USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1131 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 83 GLN : amide:sc= 0.455 K(o=0.78,f=-0.097) USER MOD Set 1.2: A 84 GLN : amide:sc= 0.323 K(o=0.78,f=-0.85) USER MOD Set 2.1: A 18 SER OG : rot -79:sc= -0.361 USER MOD Set 2.2: A 40 TYR OH : rot 166:sc= -0.26 USER MOD Set 2.3: A 71 THR OG1 : rot 101:sc= -2.19! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.0111 (180deg=-0.093) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.49 K(o=-1.5,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 20 SER OG : rot 85:sc= 0.723 USER MOD Single : A 26 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.57) USER MOD Single : A 35 GLN : amide:sc=-0.00118 X(o=-0.0012,f=-0.0012) USER MOD Single : A 36 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.0087) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.018) USER MOD Single : A 43 SER OG : rot -9:sc= 0.589 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 48 MET CE :methyl -125:sc= -0.116 (180deg=-0.996) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0.205 (180deg=0.109) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 52 THR OG1 : rot -131:sc= 1.31 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 63 MET CE :methyl 173:sc= -0.815 (180deg=-0.93) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 74 ASN : amide:sc= -0.0321 K(o=-0.032,f=-3.4!) USER MOD Single : A 76 GLN : amide:sc= -0.846 K(o=-0.85,f=-0.013) USER MOD Single : A 79 LYS NZ :NH3+ -141:sc= 0.896 (180deg=0.13) USER MOD Single : A 90 SER OG : rot -83:sc= 0.766 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.0904 X(o=0.09,f=-0.12) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A1001 MET CE :methyl -173:sc= 0 (180deg=-0.0445) USER MOD Single : A1002 THR OG1 : rot -9:sc= 0.377 USER MOD Single : A1003 THR OG1 : rot 82:sc= 0.51 USER MOD Single : A1006 THR OG1 : rot -78:sc= 0.94 USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1014 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A1018 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00653) USER MOD Single : A1019 MET CE :methyl -174:sc= -3.91! (180deg=-4.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.196 -6.532 24.932 1.00 0.00 N ATOM 2 CA MET A 1 5.608 -6.504 23.512 1.00 52.33 C ATOM 3 C MET A 1 4.517 -5.864 22.629 1.00 75.23 C ATOM 4 O MET A 1 4.488 -6.107 21.425 1.00 62.41 O ATOM 5 CB MET A 1 5.942 -7.950 23.027 1.00 42.43 C ATOM 6 CG MET A 1 4.766 -8.946 23.065 1.00 41.40 C ATOM 7 SD MET A 1 5.185 -10.524 22.286 1.00 72.45 S ATOM 8 CE MET A 1 3.623 -11.405 22.374 1.00 31.35 C ATOM 0 H1 MET A 1 5.883 -7.086 25.482 1.00 0.00 H new ATOM 0 H2 MET A 1 5.159 -5.561 25.302 1.00 0.00 H new ATOM 0 H3 MET A 1 4.256 -6.969 25.012 1.00 0.00 H new ATOM 0 HA MET A 1 6.503 -5.889 23.422 1.00 52.33 H new ATOM 0 HB2 MET A 1 6.317 -7.895 22.005 1.00 42.43 H new ATOM 0 HB3 MET A 1 6.751 -8.344 23.643 1.00 42.43 H new ATOM 0 HG2 MET A 1 4.472 -9.120 24.100 1.00 41.40 H new ATOM 0 HG3 MET A 1 3.905 -8.509 22.558 1.00 41.40 H new ATOM 0 HE1 MET A 1 3.737 -12.394 21.929 1.00 31.35 H new ATOM 0 HE2 MET A 1 3.322 -11.509 23.416 1.00 31.35 H new ATOM 0 HE3 MET A 1 2.860 -10.848 21.830 1.00 31.35 H new ATOM 20 N THR A 2 3.651 -5.013 23.223 1.00 22.01 N ATOM 21 CA THR A 2 2.464 -4.459 22.532 1.00 20.03 C ATOM 22 C THR A 2 2.852 -3.618 21.291 1.00 50.41 C ATOM 23 O THR A 2 2.193 -3.709 20.261 1.00 62.12 O ATOM 24 CB THR A 2 1.564 -3.629 23.517 1.00 53.11 C ATOM 25 OG1 THR A 2 0.335 -3.251 22.874 1.00 52.41 O ATOM 26 CG2 THR A 2 2.266 -2.369 24.055 1.00 54.24 C ATOM 0 H THR A 2 3.753 -4.693 24.186 1.00 22.01 H new ATOM 0 HA THR A 2 1.880 -5.308 22.176 1.00 20.03 H new ATOM 0 HB THR A 2 1.360 -4.279 24.368 1.00 53.11 H new ATOM 0 HG1 THR A 2 -0.216 -2.736 23.499 1.00 52.41 H new ATOM 0 HG21 THR A 2 1.594 -1.838 24.729 1.00 54.24 H new ATOM 0 HG22 THR A 2 3.168 -2.657 24.594 1.00 54.24 H new ATOM 0 HG23 THR A 2 2.533 -1.718 23.223 1.00 54.24 H new ATOM 34 N SER A 3 3.963 -2.854 21.393 1.00 63.05 N ATOM 35 CA SER A 3 4.487 -2.023 20.291 1.00 54.54 C ATOM 36 C SER A 3 4.965 -2.909 19.121 1.00 73.53 C ATOM 37 O SER A 3 4.770 -2.565 17.952 1.00 23.44 O ATOM 38 CB SER A 3 5.648 -1.146 20.809 1.00 60.24 C ATOM 39 OG SER A 3 5.265 -0.434 21.971 1.00 71.00 O ATOM 0 H SER A 3 4.521 -2.798 22.245 1.00 63.05 H new ATOM 0 HA SER A 3 3.688 -1.379 19.925 1.00 54.54 H new ATOM 0 HB2 SER A 3 6.512 -1.773 21.030 1.00 60.24 H new ATOM 0 HB3 SER A 3 5.954 -0.445 20.032 1.00 60.24 H new ATOM 0 HG SER A 3 6.016 0.113 22.282 1.00 71.00 H new ATOM 45 N THR A 4 5.590 -4.052 19.485 1.00 14.22 N ATOM 46 CA THR A 4 6.040 -5.093 18.547 1.00 41.51 C ATOM 47 C THR A 4 4.844 -5.745 17.826 1.00 1.41 C ATOM 48 O THR A 4 4.882 -5.931 16.608 1.00 3.24 O ATOM 49 CB THR A 4 6.881 -6.181 19.313 1.00 55.11 C ATOM 50 OG1 THR A 4 8.083 -5.586 19.831 1.00 1.42 O ATOM 51 CG2 THR A 4 7.235 -7.406 18.446 1.00 21.30 C ATOM 0 H THR A 4 5.797 -4.276 20.458 1.00 14.22 H new ATOM 0 HA THR A 4 6.670 -4.624 17.791 1.00 41.51 H new ATOM 0 HB THR A 4 6.254 -6.548 20.126 1.00 55.11 H new ATOM 0 HG1 THR A 4 8.604 -6.264 20.309 1.00 1.42 H new ATOM 0 HG21 THR A 4 7.815 -8.115 19.037 1.00 21.30 H new ATOM 0 HG22 THR A 4 6.319 -7.885 18.101 1.00 21.30 H new ATOM 0 HG23 THR A 4 7.823 -7.085 17.586 1.00 21.30 H new ATOM 59 N VAL A 5 3.778 -6.065 18.588 1.00 22.33 N ATOM 60 CA VAL A 5 2.580 -6.729 18.044 1.00 33.24 C ATOM 61 C VAL A 5 1.860 -5.794 17.057 1.00 51.35 C ATOM 62 O VAL A 5 1.505 -6.223 15.961 1.00 35.45 O ATOM 63 CB VAL A 5 1.599 -7.205 19.187 1.00 3.14 C ATOM 64 CG1 VAL A 5 0.326 -7.877 18.611 1.00 23.52 C ATOM 65 CG2 VAL A 5 2.319 -8.163 20.169 1.00 22.11 C ATOM 0 H VAL A 5 3.725 -5.872 19.588 1.00 22.33 H new ATOM 0 HA VAL A 5 2.906 -7.622 17.512 1.00 33.24 H new ATOM 0 HB VAL A 5 1.285 -6.316 19.734 1.00 3.14 H new ATOM 0 HG11 VAL A 5 -0.322 -8.190 19.429 1.00 23.52 H new ATOM 0 HG12 VAL A 5 -0.206 -7.167 17.978 1.00 23.52 H new ATOM 0 HG13 VAL A 5 0.610 -8.748 18.020 1.00 23.52 H new ATOM 0 HG21 VAL A 5 1.623 -8.477 20.947 1.00 22.11 H new ATOM 0 HG22 VAL A 5 2.676 -9.038 19.627 1.00 22.11 H new ATOM 0 HG23 VAL A 5 3.165 -7.648 20.625 1.00 22.11 H new ATOM 75 N GLU A 6 1.704 -4.505 17.436 1.00 54.13 N ATOM 76 CA GLU A 6 1.124 -3.481 16.544 1.00 14.04 C ATOM 77 C GLU A 6 1.950 -3.374 15.252 1.00 34.45 C ATOM 78 O GLU A 6 1.405 -3.478 14.165 1.00 60.23 O ATOM 79 CB GLU A 6 1.047 -2.088 17.232 1.00 5.12 C ATOM 80 CG GLU A 6 0.168 -2.026 18.497 1.00 74.00 C ATOM 81 CD GLU A 6 -1.289 -2.462 18.261 1.00 15.04 C ATOM 82 OE1 GLU A 6 -2.073 -1.674 17.702 1.00 1.04 O ATOM 83 OE2 GLU A 6 -1.657 -3.592 18.638 1.00 64.15 O ATOM 0 H GLU A 6 1.973 -4.152 18.354 1.00 54.13 H new ATOM 0 HA GLU A 6 0.107 -3.795 16.306 1.00 14.04 H new ATOM 0 HB2 GLU A 6 2.057 -1.775 17.496 1.00 5.12 H new ATOM 0 HB3 GLU A 6 0.668 -1.365 16.510 1.00 5.12 H new ATOM 0 HG2 GLU A 6 0.608 -2.661 19.266 1.00 74.00 H new ATOM 0 HG3 GLU A 6 0.175 -1.007 18.884 1.00 74.00 H new ATOM 90 N PHE A 7 3.278 -3.246 15.418 1.00 74.22 N ATOM 91 CA PHE A 7 4.245 -3.077 14.313 1.00 41.10 C ATOM 92 C PHE A 7 4.105 -4.210 13.254 1.00 45.25 C ATOM 93 O PHE A 7 3.749 -3.949 12.091 1.00 52.15 O ATOM 94 CB PHE A 7 5.678 -3.045 14.927 1.00 50.03 C ATOM 95 CG PHE A 7 6.807 -2.646 13.984 1.00 15.43 C ATOM 96 CD1 PHE A 7 7.878 -3.509 13.726 1.00 60.20 C ATOM 97 CD2 PHE A 7 6.810 -1.394 13.371 1.00 20.21 C ATOM 98 CE1 PHE A 7 8.914 -3.124 12.895 1.00 61.32 C ATOM 99 CE2 PHE A 7 7.846 -1.017 12.538 1.00 62.54 C ATOM 100 CZ PHE A 7 8.893 -1.882 12.298 1.00 22.21 C ATOM 0 H PHE A 7 3.719 -3.257 16.338 1.00 74.22 H new ATOM 0 HA PHE A 7 4.046 -2.143 13.788 1.00 41.10 H new ATOM 0 HB2 PHE A 7 5.674 -2.353 15.769 1.00 50.03 H new ATOM 0 HB3 PHE A 7 5.901 -4.034 15.328 1.00 50.03 H new ATOM 0 HD1 PHE A 7 7.896 -4.488 14.182 1.00 60.20 H new ATOM 0 HD2 PHE A 7 5.993 -0.711 13.549 1.00 20.21 H new ATOM 0 HE1 PHE A 7 9.739 -3.796 12.714 1.00 61.32 H new ATOM 0 HE2 PHE A 7 7.836 -0.042 12.073 1.00 62.54 H new ATOM 0 HZ PHE A 7 9.698 -1.586 11.641 1.00 22.21 H new ATOM 110 N ILE A 8 4.290 -5.465 13.715 1.00 2.13 N ATOM 111 CA ILE A 8 4.271 -6.679 12.866 1.00 24.43 C ATOM 112 C ILE A 8 2.884 -6.891 12.213 1.00 51.43 C ATOM 113 O ILE A 8 2.804 -7.216 11.026 1.00 22.31 O ATOM 114 CB ILE A 8 4.671 -7.964 13.702 1.00 40.33 C ATOM 115 CG1 ILE A 8 6.089 -7.797 14.336 1.00 44.34 C ATOM 116 CG2 ILE A 8 4.615 -9.250 12.834 1.00 33.31 C ATOM 117 CD1 ILE A 8 6.517 -8.941 15.239 1.00 14.14 C ATOM 0 H ILE A 8 4.459 -5.668 14.700 1.00 2.13 H new ATOM 0 HA ILE A 8 5.006 -6.529 12.075 1.00 24.43 H new ATOM 0 HB ILE A 8 3.941 -8.070 14.505 1.00 40.33 H new ATOM 0 HG12 ILE A 8 6.820 -7.691 13.535 1.00 44.34 H new ATOM 0 HG13 ILE A 8 6.109 -6.871 14.911 1.00 44.34 H new ATOM 0 HG21 ILE A 8 4.896 -10.111 13.441 1.00 33.31 H new ATOM 0 HG22 ILE A 8 3.603 -9.388 12.454 1.00 33.31 H new ATOM 0 HG23 ILE A 8 5.307 -9.155 11.997 1.00 33.31 H new ATOM 0 HD11 ILE A 8 7.513 -8.740 15.634 1.00 14.14 H new ATOM 0 HD12 ILE A 8 5.812 -9.037 16.064 1.00 14.14 H new ATOM 0 HD13 ILE A 8 6.534 -9.869 14.667 1.00 14.14 H new ATOM 129 N ASN A 9 1.803 -6.680 12.999 1.00 71.30 N ATOM 130 CA ASN A 9 0.410 -6.935 12.544 1.00 64.22 C ATOM 131 C ASN A 9 -0.073 -5.868 11.555 1.00 35.41 C ATOM 132 O ASN A 9 -0.918 -6.160 10.705 1.00 75.33 O ATOM 133 CB ASN A 9 -0.579 -7.023 13.740 1.00 51.53 C ATOM 134 CG ASN A 9 -0.421 -8.283 14.610 1.00 72.13 C ATOM 135 OD1 ASN A 9 -1.410 -8.824 15.106 1.00 71.23 O ATOM 136 ND2 ASN A 9 0.810 -8.746 14.841 1.00 14.05 N ATOM 0 H ASN A 9 1.866 -6.332 13.956 1.00 71.30 H new ATOM 0 HA ASN A 9 0.428 -7.898 12.033 1.00 64.22 H new ATOM 0 HB2 ASN A 9 -0.446 -6.143 14.370 1.00 51.53 H new ATOM 0 HB3 ASN A 9 -1.598 -6.989 13.355 1.00 51.53 H new ATOM 0 HD21 ASN A 9 0.944 -9.562 15.438 1.00 14.05 H new ATOM 0 HD22 ASN A 9 1.616 -8.283 14.421 1.00 14.05 H new ATOM 143 N ARG A 10 0.449 -4.635 11.679 1.00 72.32 N ATOM 144 CA ARG A 10 0.134 -3.541 10.740 1.00 43.35 C ATOM 145 C ARG A 10 0.867 -3.772 9.419 1.00 33.21 C ATOM 146 O ARG A 10 0.274 -3.596 8.369 1.00 61.01 O ATOM 147 CB ARG A 10 0.485 -2.149 11.333 1.00 13.31 C ATOM 148 CG ARG A 10 -0.429 -1.729 12.499 1.00 12.33 C ATOM 149 CD ARG A 10 0.063 -0.483 13.259 1.00 3.35 C ATOM 150 NE ARG A 10 -0.686 -0.304 14.513 1.00 33.01 N ATOM 151 CZ ARG A 10 -0.697 0.804 15.270 1.00 63.13 C ATOM 152 NH1 ARG A 10 0.006 1.883 14.933 1.00 53.22 N ATOM 153 NH2 ARG A 10 -1.414 0.811 16.380 1.00 20.13 N ATOM 0 H ARG A 10 1.094 -4.369 12.423 1.00 72.32 H new ATOM 0 HA ARG A 10 -0.941 -3.545 10.560 1.00 43.35 H new ATOM 0 HB2 ARG A 10 1.519 -2.160 11.678 1.00 13.31 H new ATOM 0 HB3 ARG A 10 0.421 -1.400 10.544 1.00 13.31 H new ATOM 0 HG2 ARG A 10 -1.429 -1.535 12.112 1.00 12.33 H new ATOM 0 HG3 ARG A 10 -0.513 -2.560 13.199 1.00 12.33 H new ATOM 0 HD2 ARG A 10 1.127 -0.581 13.477 1.00 3.35 H new ATOM 0 HD3 ARG A 10 -0.054 0.401 12.631 1.00 3.35 H new ATOM 0 HE ARG A 10 -1.247 -1.093 14.836 1.00 33.01 H new ATOM 0 HH11 ARG A 10 0.569 1.880 14.083 1.00 53.22 H new ATOM 0 HH12 ARG A 10 -0.019 2.713 15.525 1.00 53.22 H new ATOM 0 HH21 ARG A 10 -1.947 -0.017 16.648 1.00 20.13 H new ATOM 0 HH22 ARG A 10 -1.435 1.644 16.968 1.00 20.13 H new ATOM 167 N TRP A 11 2.147 -4.201 9.484 1.00 71.24 N ATOM 168 CA TRP A 11 2.913 -4.575 8.272 1.00 61.04 C ATOM 169 C TRP A 11 2.271 -5.780 7.560 1.00 15.10 C ATOM 170 O TRP A 11 2.210 -5.817 6.324 1.00 75.50 O ATOM 171 CB TRP A 11 4.406 -4.866 8.600 1.00 74.24 C ATOM 172 CG TRP A 11 5.217 -3.616 8.825 1.00 30.05 C ATOM 173 CD1 TRP A 11 5.828 -3.212 9.972 1.00 23.01 C ATOM 174 CD2 TRP A 11 5.478 -2.586 7.858 1.00 1.23 C ATOM 175 NE1 TRP A 11 6.457 -2.014 9.774 1.00 60.04 N ATOM 176 CE2 TRP A 11 6.257 -1.606 8.492 1.00 43.42 C ATOM 177 CE3 TRP A 11 5.128 -2.403 6.523 1.00 13.21 C ATOM 178 CZ2 TRP A 11 6.696 -0.457 7.840 1.00 14.43 C ATOM 179 CZ3 TRP A 11 5.557 -1.267 5.876 1.00 62.04 C ATOM 180 CH2 TRP A 11 6.335 -0.305 6.536 1.00 23.23 C ATOM 0 H TRP A 11 2.669 -4.297 10.355 1.00 71.24 H new ATOM 0 HA TRP A 11 2.882 -3.720 7.597 1.00 61.04 H new ATOM 0 HB2 TRP A 11 4.461 -5.492 9.490 1.00 74.24 H new ATOM 0 HB3 TRP A 11 4.847 -5.436 7.782 1.00 74.24 H new ATOM 0 HD1 TRP A 11 5.818 -3.758 10.904 1.00 23.01 H new ATOM 0 HE1 TRP A 11 6.993 -1.506 10.478 1.00 60.04 H new ATOM 0 HE3 TRP A 11 4.531 -3.139 6.005 1.00 13.21 H new ATOM 0 HZ2 TRP A 11 7.298 0.283 8.347 1.00 14.43 H new ATOM 0 HZ3 TRP A 11 5.290 -1.113 4.841 1.00 62.04 H new ATOM 0 HH2 TRP A 11 6.655 0.575 5.998 1.00 23.23 H new ATOM 191 N GLN A 12 1.787 -6.744 8.363 1.00 70.13 N ATOM 192 CA GLN A 12 1.044 -7.919 7.877 1.00 50.34 C ATOM 193 C GLN A 12 -0.245 -7.466 7.171 1.00 23.42 C ATOM 194 O GLN A 12 -0.563 -7.945 6.087 1.00 25.14 O ATOM 195 CB GLN A 12 0.708 -8.865 9.062 1.00 61.32 C ATOM 196 CG GLN A 12 -0.041 -10.155 8.672 1.00 73.03 C ATOM 197 CD GLN A 12 -0.490 -10.992 9.875 1.00 51.14 C ATOM 198 OE1 GLN A 12 -0.769 -10.464 10.953 1.00 11.40 O ATOM 199 NE2 GLN A 12 -0.553 -12.302 9.709 1.00 15.20 N ATOM 0 H GLN A 12 1.902 -6.729 9.376 1.00 70.13 H new ATOM 0 HA GLN A 12 1.663 -8.463 7.164 1.00 50.34 H new ATOM 0 HB2 GLN A 12 1.636 -9.139 9.563 1.00 61.32 H new ATOM 0 HB3 GLN A 12 0.105 -8.317 9.786 1.00 61.32 H new ATOM 0 HG2 GLN A 12 -0.915 -9.892 8.077 1.00 73.03 H new ATOM 0 HG3 GLN A 12 0.605 -10.763 8.038 1.00 73.03 H new ATOM 0 HE21 GLN A 12 -0.317 -12.714 8.806 1.00 15.20 H new ATOM 0 HE22 GLN A 12 -0.838 -12.901 10.484 1.00 15.20 H new ATOM 208 N ARG A 13 -0.941 -6.500 7.806 1.00 44.15 N ATOM 209 CA ARG A 13 -2.198 -5.917 7.304 1.00 71.30 C ATOM 210 C ARG A 13 -1.979 -5.240 5.933 1.00 1.32 C ATOM 211 O ARG A 13 -2.764 -5.450 5.011 1.00 62.21 O ATOM 212 CB ARG A 13 -2.756 -4.905 8.360 1.00 54.10 C ATOM 213 CG ARG A 13 -4.094 -4.193 8.021 1.00 60.53 C ATOM 214 CD ARG A 13 -5.293 -5.154 7.837 1.00 11.24 C ATOM 215 NE ARG A 13 -5.275 -5.813 6.523 1.00 62.22 N ATOM 216 CZ ARG A 13 -6.052 -6.835 6.147 1.00 64.04 C ATOM 217 NH1 ARG A 13 -6.948 -7.364 6.973 1.00 64.32 N ATOM 218 NH2 ARG A 13 -5.926 -7.323 4.927 1.00 4.12 N ATOM 0 H ARG A 13 -0.639 -6.099 8.694 1.00 44.15 H new ATOM 0 HA ARG A 13 -2.932 -6.709 7.157 1.00 71.30 H new ATOM 0 HB2 ARG A 13 -2.885 -5.437 9.303 1.00 54.10 H new ATOM 0 HB3 ARG A 13 -1.999 -4.139 8.528 1.00 54.10 H new ATOM 0 HG2 ARG A 13 -4.328 -3.485 8.816 1.00 60.53 H new ATOM 0 HG3 ARG A 13 -3.963 -3.613 7.107 1.00 60.53 H new ATOM 0 HD2 ARG A 13 -5.275 -5.910 8.622 1.00 11.24 H new ATOM 0 HD3 ARG A 13 -6.224 -4.598 7.951 1.00 11.24 H new ATOM 0 HE ARG A 13 -4.610 -5.459 5.836 1.00 62.22 H new ATOM 0 HH11 ARG A 13 -7.055 -6.991 7.916 1.00 64.32 H new ATOM 0 HH12 ARG A 13 -7.529 -8.143 6.664 1.00 64.32 H new ATOM 0 HH21 ARG A 13 -5.243 -6.921 4.285 1.00 4.12 H new ATOM 0 HH22 ARG A 13 -6.512 -8.102 4.626 1.00 4.12 H new ATOM 232 N ILE A 14 -0.873 -4.488 5.807 1.00 14.32 N ATOM 233 CA ILE A 14 -0.524 -3.740 4.578 1.00 45.21 C ATOM 234 C ILE A 14 -0.124 -4.711 3.444 1.00 62.22 C ATOM 235 O ILE A 14 -0.493 -4.498 2.293 1.00 64.24 O ATOM 236 CB ILE A 14 0.637 -2.712 4.868 1.00 23.01 C ATOM 237 CG1 ILE A 14 0.213 -1.716 5.974 1.00 22.54 C ATOM 238 CG2 ILE A 14 1.066 -1.926 3.610 1.00 25.54 C ATOM 239 CD1 ILE A 14 1.316 -0.791 6.417 1.00 31.21 C ATOM 0 H ILE A 14 -0.190 -4.378 6.556 1.00 14.32 H new ATOM 0 HA ILE A 14 -1.403 -3.182 4.254 1.00 45.21 H new ATOM 0 HB ILE A 14 1.494 -3.298 5.200 1.00 23.01 H new ATOM 0 HG12 ILE A 14 -0.624 -1.120 5.611 1.00 22.54 H new ATOM 0 HG13 ILE A 14 -0.146 -2.277 6.837 1.00 22.54 H new ATOM 0 HG21 ILE A 14 1.867 -1.234 3.869 1.00 25.54 H new ATOM 0 HG22 ILE A 14 1.419 -2.622 2.849 1.00 25.54 H new ATOM 0 HG23 ILE A 14 0.215 -1.367 3.223 1.00 25.54 H new ATOM 0 HD11 ILE A 14 0.941 -0.124 7.193 1.00 31.21 H new ATOM 0 HD12 ILE A 14 2.146 -1.377 6.812 1.00 31.21 H new ATOM 0 HD13 ILE A 14 1.660 -0.202 5.567 1.00 31.21 H new ATOM 251 N ALA A 15 0.606 -5.795 3.796 1.00 1.42 N ATOM 252 CA ALA A 15 1.027 -6.836 2.830 1.00 43.21 C ATOM 253 C ALA A 15 -0.192 -7.572 2.251 1.00 63.32 C ATOM 254 O ALA A 15 -0.305 -7.743 1.028 1.00 60.24 O ATOM 255 CB ALA A 15 1.996 -7.823 3.496 1.00 43.12 C ATOM 0 H ALA A 15 0.918 -5.972 4.751 1.00 1.42 H new ATOM 0 HA ALA A 15 1.546 -6.349 2.005 1.00 43.21 H new ATOM 0 HB1 ALA A 15 2.296 -8.582 2.773 1.00 43.12 H new ATOM 0 HB2 ALA A 15 2.878 -7.287 3.846 1.00 43.12 H new ATOM 0 HB3 ALA A 15 1.503 -8.302 4.342 1.00 43.12 H new ATOM 261 N LEU A 16 -1.113 -7.968 3.157 1.00 70.10 N ATOM 262 CA LEU A 16 -2.374 -8.645 2.800 1.00 21.35 C ATOM 263 C LEU A 16 -3.257 -7.733 1.930 1.00 5.33 C ATOM 264 O LEU A 16 -3.794 -8.172 0.907 1.00 23.32 O ATOM 265 CB LEU A 16 -3.147 -9.081 4.077 1.00 61.13 C ATOM 266 CG LEU A 16 -2.470 -10.185 4.951 1.00 74.12 C ATOM 267 CD1 LEU A 16 -3.279 -10.455 6.243 1.00 34.23 C ATOM 268 CD2 LEU A 16 -2.248 -11.484 4.141 1.00 33.54 C ATOM 0 H LEU A 16 -1.000 -7.825 4.161 1.00 70.10 H new ATOM 0 HA LEU A 16 -2.124 -9.536 2.225 1.00 21.35 H new ATOM 0 HB2 LEU A 16 -3.304 -8.200 4.699 1.00 61.13 H new ATOM 0 HB3 LEU A 16 -4.132 -9.439 3.776 1.00 61.13 H new ATOM 0 HG LEU A 16 -1.490 -9.814 5.251 1.00 74.12 H new ATOM 0 HD11 LEU A 16 -2.782 -11.228 6.829 1.00 34.23 H new ATOM 0 HD12 LEU A 16 -3.343 -9.539 6.830 1.00 34.23 H new ATOM 0 HD13 LEU A 16 -4.283 -10.788 5.981 1.00 34.23 H new ATOM 0 HD21 LEU A 16 -1.775 -12.233 4.777 1.00 33.54 H new ATOM 0 HD22 LEU A 16 -3.208 -11.861 3.788 1.00 33.54 H new ATOM 0 HD23 LEU A 16 -1.604 -11.275 3.287 1.00 33.54 H new ATOM 280 N LEU A 17 -3.374 -6.457 2.341 1.00 2.13 N ATOM 281 CA LEU A 17 -4.168 -5.452 1.617 1.00 52.01 C ATOM 282 C LEU A 17 -3.621 -5.260 0.196 1.00 74.53 C ATOM 283 O LEU A 17 -4.361 -5.431 -0.750 1.00 30.11 O ATOM 284 CB LEU A 17 -4.212 -4.096 2.392 1.00 43.52 C ATOM 285 CG LEU A 17 -5.232 -4.021 3.574 1.00 2.12 C ATOM 286 CD1 LEU A 17 -5.001 -2.771 4.449 1.00 14.32 C ATOM 287 CD2 LEU A 17 -6.685 -4.070 3.049 1.00 60.43 C ATOM 0 H LEU A 17 -2.922 -6.096 3.181 1.00 2.13 H new ATOM 0 HA LEU A 17 -5.192 -5.818 1.544 1.00 52.01 H new ATOM 0 HB2 LEU A 17 -3.216 -3.890 2.783 1.00 43.52 H new ATOM 0 HB3 LEU A 17 -4.447 -3.302 1.683 1.00 43.52 H new ATOM 0 HG LEU A 17 -5.067 -4.894 4.206 1.00 2.12 H new ATOM 0 HD11 LEU A 17 -5.730 -2.755 5.260 1.00 14.32 H new ATOM 0 HD12 LEU A 17 -3.994 -2.800 4.866 1.00 14.32 H new ATOM 0 HD13 LEU A 17 -5.116 -1.874 3.840 1.00 14.32 H new ATOM 0 HD21 LEU A 17 -7.377 -4.016 3.889 1.00 60.43 H new ATOM 0 HD22 LEU A 17 -6.859 -3.227 2.381 1.00 60.43 H new ATOM 0 HD23 LEU A 17 -6.845 -5.002 2.506 1.00 60.43 H new ATOM 299 N SER A 18 -2.305 -5.000 0.072 1.00 55.23 N ATOM 300 CA SER A 18 -1.657 -4.684 -1.219 1.00 50.03 C ATOM 301 C SER A 18 -1.741 -5.851 -2.215 1.00 1.24 C ATOM 302 O SER A 18 -1.990 -5.624 -3.402 1.00 63.41 O ATOM 303 CB SER A 18 -0.182 -4.300 -0.998 1.00 11.24 C ATOM 304 OG SER A 18 0.518 -5.336 -0.335 1.00 44.11 O ATOM 0 H SER A 18 -1.660 -5.003 0.862 1.00 55.23 H new ATOM 0 HA SER A 18 -2.198 -3.841 -1.648 1.00 50.03 H new ATOM 0 HB2 SER A 18 0.291 -4.093 -1.958 1.00 11.24 H new ATOM 0 HB3 SER A 18 -0.125 -3.384 -0.410 1.00 11.24 H new ATOM 0 HG SER A 18 0.319 -5.304 0.624 1.00 44.11 H new ATOM 310 N GLN A 19 -1.517 -7.094 -1.724 1.00 22.51 N ATOM 311 CA GLN A 19 -1.588 -8.299 -2.577 1.00 44.30 C ATOM 312 C GLN A 19 -3.029 -8.547 -3.049 1.00 54.13 C ATOM 313 O GLN A 19 -3.246 -8.862 -4.221 1.00 71.12 O ATOM 314 CB GLN A 19 -0.997 -9.549 -1.867 1.00 14.25 C ATOM 315 CG GLN A 19 -1.802 -10.067 -0.659 1.00 21.40 C ATOM 316 CD GLN A 19 -1.123 -11.198 0.107 1.00 52.24 C ATOM 317 OE1 GLN A 19 0.103 -11.279 0.162 1.00 21.42 O ATOM 318 NE2 GLN A 19 -1.913 -12.076 0.712 1.00 53.45 N ATOM 0 H GLN A 19 -1.287 -7.285 -0.749 1.00 22.51 H new ATOM 0 HA GLN A 19 -0.971 -8.117 -3.457 1.00 44.30 H new ATOM 0 HB2 GLN A 19 -0.912 -10.354 -2.597 1.00 14.25 H new ATOM 0 HB3 GLN A 19 0.014 -9.313 -1.534 1.00 14.25 H new ATOM 0 HG2 GLN A 19 -1.983 -9.238 0.025 1.00 21.40 H new ATOM 0 HG3 GLN A 19 -2.776 -10.412 -1.007 1.00 21.40 H new ATOM 0 HE21 GLN A 19 -2.926 -11.980 0.647 1.00 53.45 H new ATOM 0 HE22 GLN A 19 -1.507 -12.847 1.242 1.00 53.45 H new ATOM 327 N SER A 20 -4.009 -8.342 -2.137 1.00 75.31 N ATOM 328 CA SER A 20 -5.437 -8.456 -2.466 1.00 34.01 C ATOM 329 C SER A 20 -5.819 -7.423 -3.535 1.00 73.11 C ATOM 330 O SER A 20 -6.363 -7.783 -4.571 1.00 21.32 O ATOM 331 CB SER A 20 -6.303 -8.279 -1.202 1.00 41.44 C ATOM 332 OG SER A 20 -6.098 -9.358 -0.305 1.00 35.20 O ATOM 0 H SER A 20 -3.828 -8.096 -1.164 1.00 75.31 H new ATOM 0 HA SER A 20 -5.623 -9.453 -2.866 1.00 34.01 H new ATOM 0 HB2 SER A 20 -6.053 -7.338 -0.712 1.00 41.44 H new ATOM 0 HB3 SER A 20 -7.356 -8.224 -1.480 1.00 41.44 H new ATOM 0 HG SER A 20 -5.313 -9.175 0.253 1.00 35.20 H new ATOM 338 N LEU A 21 -5.436 -6.154 -3.279 1.00 73.44 N ATOM 339 CA LEU A 21 -5.689 -5.004 -4.164 1.00 43.52 C ATOM 340 C LEU A 21 -5.071 -5.228 -5.545 1.00 34.44 C ATOM 341 O LEU A 21 -5.640 -4.809 -6.556 1.00 30.00 O ATOM 342 CB LEU A 21 -5.116 -3.708 -3.529 1.00 0.41 C ATOM 343 CG LEU A 21 -5.830 -3.195 -2.234 1.00 53.22 C ATOM 344 CD1 LEU A 21 -4.967 -2.156 -1.488 1.00 70.32 C ATOM 345 CD2 LEU A 21 -7.219 -2.627 -2.560 1.00 20.52 C ATOM 0 H LEU A 21 -4.931 -5.898 -2.431 1.00 73.44 H new ATOM 0 HA LEU A 21 -6.767 -4.898 -4.286 1.00 43.52 H new ATOM 0 HB2 LEU A 21 -4.065 -3.877 -3.296 1.00 0.41 H new ATOM 0 HB3 LEU A 21 -5.153 -2.916 -4.277 1.00 0.41 H new ATOM 0 HG LEU A 21 -5.962 -4.049 -1.570 1.00 53.22 H new ATOM 0 HD11 LEU A 21 -5.493 -1.821 -0.594 1.00 70.32 H new ATOM 0 HD12 LEU A 21 -4.018 -2.609 -1.202 1.00 70.32 H new ATOM 0 HD13 LEU A 21 -4.780 -1.303 -2.140 1.00 70.32 H new ATOM 0 HD21 LEU A 21 -7.694 -2.278 -1.643 1.00 20.52 H new ATOM 0 HD22 LEU A 21 -7.117 -1.794 -3.256 1.00 20.52 H new ATOM 0 HD23 LEU A 21 -7.833 -3.405 -3.013 1.00 20.52 H new ATOM 357 N LEU A 22 -3.897 -5.895 -5.568 1.00 10.04 N ATOM 358 CA LEU A 22 -3.198 -6.226 -6.808 1.00 43.43 C ATOM 359 C LEU A 22 -4.019 -7.219 -7.633 1.00 5.14 C ATOM 360 O LEU A 22 -4.275 -6.966 -8.800 1.00 20.32 O ATOM 361 CB LEU A 22 -1.791 -6.811 -6.535 1.00 13.45 C ATOM 362 CG LEU A 22 -0.998 -7.217 -7.820 1.00 44.23 C ATOM 363 CD1 LEU A 22 -0.806 -6.011 -8.764 1.00 74.41 C ATOM 364 CD2 LEU A 22 0.342 -7.884 -7.467 1.00 24.32 C ATOM 0 H LEU A 22 -3.417 -6.214 -4.726 1.00 10.04 H new ATOM 0 HA LEU A 22 -3.075 -5.300 -7.370 1.00 43.43 H new ATOM 0 HB2 LEU A 22 -1.207 -6.077 -5.980 1.00 13.45 H new ATOM 0 HB3 LEU A 22 -1.893 -7.687 -5.894 1.00 13.45 H new ATOM 0 HG LEU A 22 -1.593 -7.957 -8.356 1.00 44.23 H new ATOM 0 HD11 LEU A 22 -0.251 -6.326 -9.648 1.00 74.41 H new ATOM 0 HD12 LEU A 22 -1.780 -5.626 -9.065 1.00 74.41 H new ATOM 0 HD13 LEU A 22 -0.251 -5.229 -8.247 1.00 74.41 H new ATOM 0 HD21 LEU A 22 0.867 -8.153 -8.384 1.00 24.32 H new ATOM 0 HD22 LEU A 22 0.953 -7.190 -6.889 1.00 24.32 H new ATOM 0 HD23 LEU A 22 0.157 -8.782 -6.877 1.00 24.32 H new ATOM 376 N GLU A 23 -4.442 -8.326 -6.988 1.00 21.44 N ATOM 377 CA GLU A 23 -5.231 -9.399 -7.642 1.00 12.23 C ATOM 378 C GLU A 23 -6.559 -8.848 -8.197 1.00 50.13 C ATOM 379 O GLU A 23 -7.007 -9.237 -9.285 1.00 52.44 O ATOM 380 CB GLU A 23 -5.512 -10.535 -6.629 1.00 11.44 C ATOM 381 CG GLU A 23 -4.248 -11.192 -6.052 1.00 0.11 C ATOM 382 CD GLU A 23 -4.566 -12.238 -4.984 1.00 74.11 C ATOM 383 OE1 GLU A 23 -4.756 -11.863 -3.810 1.00 75.41 O ATOM 384 OE2 GLU A 23 -4.637 -13.441 -5.313 1.00 52.11 O ATOM 0 H GLU A 23 -4.249 -8.504 -6.002 1.00 21.44 H new ATOM 0 HA GLU A 23 -4.650 -9.793 -8.476 1.00 12.23 H new ATOM 0 HB2 GLU A 23 -6.107 -10.135 -5.808 1.00 11.44 H new ATOM 0 HB3 GLU A 23 -6.115 -11.301 -7.117 1.00 11.44 H new ATOM 0 HG2 GLU A 23 -3.686 -11.661 -6.859 1.00 0.11 H new ATOM 0 HG3 GLU A 23 -3.607 -10.423 -5.622 1.00 0.11 H new ATOM 391 N LEU A 24 -7.144 -7.917 -7.424 1.00 5.33 N ATOM 392 CA LEU A 24 -8.377 -7.204 -7.778 1.00 34.50 C ATOM 393 C LEU A 24 -8.157 -6.329 -9.021 1.00 53.43 C ATOM 394 O LEU A 24 -8.946 -6.373 -9.944 1.00 51.24 O ATOM 395 CB LEU A 24 -8.840 -6.338 -6.583 1.00 73.01 C ATOM 396 CG LEU A 24 -9.263 -7.112 -5.296 1.00 73.22 C ATOM 397 CD1 LEU A 24 -9.267 -6.181 -4.068 1.00 52.51 C ATOM 398 CD2 LEU A 24 -10.628 -7.804 -5.477 1.00 32.21 C ATOM 0 H LEU A 24 -6.764 -7.636 -6.520 1.00 5.33 H new ATOM 0 HA LEU A 24 -9.153 -7.934 -8.010 1.00 34.50 H new ATOM 0 HB2 LEU A 24 -8.032 -5.654 -6.322 1.00 73.01 H new ATOM 0 HB3 LEU A 24 -9.682 -5.727 -6.908 1.00 73.01 H new ATOM 0 HG LEU A 24 -8.523 -7.893 -5.122 1.00 73.22 H new ATOM 0 HD11 LEU A 24 -9.565 -6.745 -3.184 1.00 52.51 H new ATOM 0 HD12 LEU A 24 -8.268 -5.773 -3.918 1.00 52.51 H new ATOM 0 HD13 LEU A 24 -9.971 -5.365 -4.232 1.00 52.51 H new ATOM 0 HD21 LEU A 24 -10.892 -8.334 -4.562 1.00 32.21 H new ATOM 0 HD22 LEU A 24 -11.389 -7.055 -5.695 1.00 32.21 H new ATOM 0 HD23 LEU A 24 -10.570 -8.513 -6.303 1.00 32.21 H new ATOM 410 N ALA A 25 -7.043 -5.579 -9.038 1.00 60.33 N ATOM 411 CA ALA A 25 -6.700 -4.659 -10.140 1.00 64.14 C ATOM 412 C ALA A 25 -6.293 -5.429 -11.417 1.00 75.10 C ATOM 413 O ALA A 25 -6.542 -4.965 -12.538 1.00 61.24 O ATOM 414 CB ALA A 25 -5.581 -3.708 -9.682 1.00 73.22 C ATOM 0 H ALA A 25 -6.352 -5.592 -8.288 1.00 60.33 H new ATOM 0 HA ALA A 25 -7.583 -4.073 -10.394 1.00 64.14 H new ATOM 0 HB1 ALA A 25 -5.326 -3.028 -10.495 1.00 73.22 H new ATOM 0 HB2 ALA A 25 -5.922 -3.133 -8.821 1.00 73.22 H new ATOM 0 HB3 ALA A 25 -4.701 -4.288 -9.405 1.00 73.22 H new ATOM 420 N GLN A 26 -5.676 -6.610 -11.221 1.00 23.25 N ATOM 421 CA GLN A 26 -5.289 -7.528 -12.309 1.00 63.32 C ATOM 422 C GLN A 26 -6.544 -8.130 -12.973 1.00 54.01 C ATOM 423 O GLN A 26 -6.588 -8.292 -14.196 1.00 43.53 O ATOM 424 CB GLN A 26 -4.376 -8.678 -11.771 1.00 13.34 C ATOM 425 CG GLN A 26 -2.942 -8.260 -11.356 1.00 34.14 C ATOM 426 CD GLN A 26 -2.068 -7.779 -12.523 1.00 2.11 C ATOM 427 OE1 GLN A 26 -2.256 -8.184 -13.672 1.00 32.35 O ATOM 428 NE2 GLN A 26 -1.077 -6.944 -12.237 1.00 60.54 N ATOM 0 H GLN A 26 -5.430 -6.957 -10.294 1.00 23.25 H new ATOM 0 HA GLN A 26 -4.729 -6.956 -13.049 1.00 63.32 H new ATOM 0 HB2 GLN A 26 -4.866 -9.133 -10.910 1.00 13.34 H new ATOM 0 HB3 GLN A 26 -4.302 -9.448 -12.539 1.00 13.34 H new ATOM 0 HG2 GLN A 26 -3.007 -7.465 -10.613 1.00 34.14 H new ATOM 0 HG3 GLN A 26 -2.453 -9.107 -10.875 1.00 34.14 H new ATOM 0 HE21 GLN A 26 -0.941 -6.623 -11.278 1.00 60.54 H new ATOM 0 HE22 GLN A 26 -0.451 -6.624 -12.976 1.00 60.54 H new ATOM 437 N ARG A 27 -7.554 -8.466 -12.140 1.00 71.25 N ATOM 438 CA ARG A 27 -8.825 -9.057 -12.608 1.00 32.33 C ATOM 439 C ARG A 27 -9.828 -7.952 -13.031 1.00 64.04 C ATOM 440 O ARG A 27 -10.748 -8.210 -13.817 1.00 51.05 O ATOM 441 CB ARG A 27 -9.411 -9.980 -11.497 1.00 32.12 C ATOM 442 CG ARG A 27 -10.647 -10.814 -11.915 1.00 15.42 C ATOM 443 CD ARG A 27 -10.382 -11.759 -13.093 1.00 21.11 C ATOM 444 NE ARG A 27 -9.418 -12.811 -12.747 1.00 24.12 N ATOM 445 CZ ARG A 27 -8.754 -13.576 -13.625 1.00 73.35 C ATOM 446 NH1 ARG A 27 -8.915 -13.416 -14.937 1.00 12.13 N ATOM 447 NH2 ARG A 27 -7.937 -14.514 -13.175 1.00 4.33 N ATOM 0 H ARG A 27 -7.511 -8.335 -11.129 1.00 71.25 H new ATOM 0 HA ARG A 27 -8.635 -9.665 -13.493 1.00 32.33 H new ATOM 0 HB2 ARG A 27 -8.629 -10.662 -11.164 1.00 32.12 H new ATOM 0 HB3 ARG A 27 -9.682 -9.363 -10.640 1.00 32.12 H new ATOM 0 HG2 ARG A 27 -10.986 -11.399 -11.060 1.00 15.42 H new ATOM 0 HG3 ARG A 27 -11.459 -10.137 -12.179 1.00 15.42 H new ATOM 0 HD2 ARG A 27 -11.320 -12.216 -13.409 1.00 21.11 H new ATOM 0 HD3 ARG A 27 -10.005 -11.186 -13.940 1.00 21.11 H new ATOM 0 HE ARG A 27 -9.239 -12.973 -11.756 1.00 24.12 H new ATOM 0 HH11 ARG A 27 -9.552 -12.702 -15.289 1.00 12.13 H new ATOM 0 HH12 ARG A 27 -8.401 -14.008 -15.590 1.00 12.13 H new ATOM 0 HH21 ARG A 27 -7.818 -14.648 -12.171 1.00 4.33 H new ATOM 0 HH22 ARG A 27 -7.426 -15.103 -13.832 1.00 4.33 H new ATOM 461 N GLY A 28 -9.602 -6.714 -12.545 1.00 61.25 N ATOM 462 CA GLY A 28 -10.432 -5.551 -12.898 1.00 72.13 C ATOM 463 C GLY A 28 -11.503 -5.164 -11.876 1.00 75.03 C ATOM 464 O GLY A 28 -12.377 -4.361 -12.203 1.00 44.52 O ATOM 0 H GLY A 28 -8.842 -6.496 -11.900 1.00 61.25 H new ATOM 0 HA2 GLY A 28 -9.777 -4.694 -13.052 1.00 72.13 H new ATOM 0 HA3 GLY A 28 -10.922 -5.753 -13.851 1.00 72.13 H new ATOM 468 N GLU A 29 -11.474 -5.740 -10.657 1.00 43.23 N ATOM 469 CA GLU A 29 -12.327 -5.276 -9.532 1.00 73.34 C ATOM 470 C GLU A 29 -11.743 -3.998 -8.903 1.00 50.44 C ATOM 471 O GLU A 29 -10.907 -4.064 -7.999 1.00 0.33 O ATOM 472 CB GLU A 29 -12.521 -6.367 -8.437 1.00 54.32 C ATOM 473 CG GLU A 29 -13.505 -7.495 -8.800 1.00 34.33 C ATOM 474 CD GLU A 29 -12.981 -8.452 -9.871 1.00 22.50 C ATOM 475 OE1 GLU A 29 -12.217 -9.358 -9.525 1.00 42.01 O ATOM 476 OE2 GLU A 29 -13.340 -8.316 -11.056 1.00 44.35 O ATOM 0 H GLU A 29 -10.870 -6.528 -10.422 1.00 43.23 H new ATOM 0 HA GLU A 29 -13.309 -5.060 -9.952 1.00 73.34 H new ATOM 0 HB2 GLU A 29 -11.551 -6.811 -8.214 1.00 54.32 H new ATOM 0 HB3 GLU A 29 -12.868 -5.884 -7.524 1.00 54.32 H new ATOM 0 HG2 GLU A 29 -13.738 -8.064 -7.900 1.00 34.33 H new ATOM 0 HG3 GLU A 29 -14.438 -7.052 -9.147 1.00 34.33 H new ATOM 483 N TRP A 30 -12.186 -2.843 -9.412 1.00 34.04 N ATOM 484 CA TRP A 30 -11.792 -1.511 -8.897 1.00 12.43 C ATOM 485 C TRP A 30 -12.596 -1.148 -7.624 1.00 35.15 C ATOM 486 O TRP A 30 -12.250 -0.202 -6.908 1.00 44.44 O ATOM 487 CB TRP A 30 -12.008 -0.433 -9.998 1.00 34.44 C ATOM 488 CG TRP A 30 -11.525 -0.860 -11.377 1.00 10.24 C ATOM 489 CD1 TRP A 30 -12.297 -1.110 -12.483 1.00 51.40 C ATOM 490 CD2 TRP A 30 -10.169 -1.126 -11.782 1.00 74.21 C ATOM 491 NE1 TRP A 30 -11.511 -1.506 -13.533 1.00 22.24 N ATOM 492 CE2 TRP A 30 -10.205 -1.517 -13.134 1.00 20.20 C ATOM 493 CE3 TRP A 30 -8.930 -1.067 -11.138 1.00 44.04 C ATOM 494 CZ2 TRP A 30 -9.059 -1.850 -13.850 1.00 54.11 C ATOM 495 CZ3 TRP A 30 -7.793 -1.394 -11.850 1.00 43.23 C ATOM 496 CH2 TRP A 30 -7.863 -1.781 -13.194 1.00 43.43 C ATOM 0 H TRP A 30 -12.833 -2.798 -10.199 1.00 34.04 H new ATOM 0 HA TRP A 30 -10.736 -1.543 -8.630 1.00 12.43 H new ATOM 0 HB2 TRP A 30 -13.069 -0.191 -10.054 1.00 34.44 H new ATOM 0 HB3 TRP A 30 -11.488 0.480 -9.707 1.00 34.44 H new ATOM 0 HD1 TRP A 30 -13.372 -1.009 -12.521 1.00 51.40 H new ATOM 0 HE1 TRP A 30 -11.847 -1.753 -14.464 1.00 22.24 H new ATOM 0 HE3 TRP A 30 -8.863 -0.771 -10.102 1.00 44.04 H new ATOM 0 HZ2 TRP A 30 -9.113 -2.152 -14.886 1.00 54.11 H new ATOM 0 HZ3 TRP A 30 -6.831 -1.350 -11.361 1.00 43.23 H new ATOM 0 HH2 TRP A 30 -6.954 -2.030 -13.722 1.00 43.43 H new ATOM 507 N ASP A 31 -13.671 -1.925 -7.377 1.00 40.23 N ATOM 508 CA ASP A 31 -14.613 -1.738 -6.256 1.00 63.11 C ATOM 509 C ASP A 31 -13.895 -1.773 -4.903 1.00 74.12 C ATOM 510 O ASP A 31 -13.922 -0.802 -4.140 1.00 43.21 O ATOM 511 CB ASP A 31 -15.688 -2.855 -6.282 1.00 71.43 C ATOM 512 CG ASP A 31 -16.470 -2.896 -7.596 1.00 23.22 C ATOM 513 OD1 ASP A 31 -16.019 -3.571 -8.544 1.00 3.30 O ATOM 514 OD2 ASP A 31 -17.521 -2.233 -7.697 1.00 3.30 O ATOM 0 H ASP A 31 -13.913 -2.720 -7.968 1.00 40.23 H new ATOM 0 HA ASP A 31 -15.078 -0.760 -6.376 1.00 63.11 H new ATOM 0 HB2 ASP A 31 -15.207 -3.820 -6.121 1.00 71.43 H new ATOM 0 HB3 ASP A 31 -16.383 -2.703 -5.456 1.00 71.43 H new ATOM 519 N LEU A 32 -13.240 -2.920 -4.636 1.00 62.31 N ATOM 520 CA LEU A 32 -12.521 -3.157 -3.382 1.00 13.24 C ATOM 521 C LEU A 32 -11.238 -2.317 -3.305 1.00 75.52 C ATOM 522 O LEU A 32 -10.676 -2.187 -2.233 1.00 21.11 O ATOM 523 CB LEU A 32 -12.238 -4.663 -3.165 1.00 33.31 C ATOM 524 CG LEU A 32 -13.484 -5.583 -2.954 1.00 71.02 C ATOM 525 CD1 LEU A 32 -13.057 -7.046 -2.678 1.00 63.21 C ATOM 526 CD2 LEU A 32 -14.391 -5.046 -1.826 1.00 62.24 C ATOM 0 H LEU A 32 -13.198 -3.704 -5.287 1.00 62.31 H new ATOM 0 HA LEU A 32 -13.167 -2.833 -2.566 1.00 13.24 H new ATOM 0 HB2 LEU A 32 -11.682 -5.033 -4.026 1.00 33.31 H new ATOM 0 HB3 LEU A 32 -11.587 -4.766 -2.297 1.00 33.31 H new ATOM 0 HG LEU A 32 -14.063 -5.573 -3.877 1.00 71.02 H new ATOM 0 HD11 LEU A 32 -13.944 -7.663 -2.535 1.00 63.21 H new ATOM 0 HD12 LEU A 32 -12.485 -7.424 -3.525 1.00 63.21 H new ATOM 0 HD13 LEU A 32 -12.441 -7.082 -1.779 1.00 63.21 H new ATOM 0 HD21 LEU A 32 -15.249 -5.707 -1.703 1.00 62.24 H new ATOM 0 HD22 LEU A 32 -13.827 -5.006 -0.894 1.00 62.24 H new ATOM 0 HD23 LEU A 32 -14.738 -4.045 -2.083 1.00 62.24 H new ATOM 538 N LEU A 33 -10.763 -1.776 -4.447 1.00 20.53 N ATOM 539 CA LEU A 33 -9.697 -0.747 -4.435 1.00 71.33 C ATOM 540 C LEU A 33 -10.230 0.528 -3.776 1.00 31.04 C ATOM 541 O LEU A 33 -9.633 1.012 -2.825 1.00 42.44 O ATOM 542 CB LEU A 33 -9.117 -0.459 -5.858 1.00 22.20 C ATOM 543 CG LEU A 33 -7.944 -1.391 -6.304 1.00 15.11 C ATOM 544 CD1 LEU A 33 -8.363 -2.867 -6.332 1.00 22.14 C ATOM 545 CD2 LEU A 33 -7.370 -0.950 -7.656 1.00 43.42 C ATOM 0 H LEU A 33 -11.094 -2.029 -5.378 1.00 20.53 H new ATOM 0 HA LEU A 33 -8.862 -1.133 -3.850 1.00 71.33 H new ATOM 0 HB2 LEU A 33 -9.924 -0.545 -6.585 1.00 22.20 H new ATOM 0 HB3 LEU A 33 -8.770 0.574 -5.888 1.00 22.20 H new ATOM 0 HG LEU A 33 -7.155 -1.296 -5.557 1.00 15.11 H new ATOM 0 HD11 LEU A 33 -7.518 -3.479 -6.647 1.00 22.14 H new ATOM 0 HD12 LEU A 33 -8.682 -3.174 -5.336 1.00 22.14 H new ATOM 0 HD13 LEU A 33 -9.187 -2.998 -7.033 1.00 22.14 H new ATOM 0 HD21 LEU A 33 -6.556 -1.617 -7.941 1.00 43.42 H new ATOM 0 HD22 LEU A 33 -8.153 -0.989 -8.414 1.00 43.42 H new ATOM 0 HD23 LEU A 33 -6.993 0.070 -7.576 1.00 43.42 H new ATOM 557 N LEU A 34 -11.398 1.005 -4.245 1.00 72.31 N ATOM 558 CA LEU A 34 -12.044 2.228 -3.717 1.00 72.23 C ATOM 559 C LEU A 34 -12.586 2.023 -2.284 1.00 33.34 C ATOM 560 O LEU A 34 -12.713 2.992 -1.527 1.00 32.44 O ATOM 561 CB LEU A 34 -13.189 2.674 -4.669 1.00 54.23 C ATOM 562 CG LEU A 34 -12.756 3.036 -6.131 1.00 22.12 C ATOM 563 CD1 LEU A 34 -13.978 3.408 -7.003 1.00 74.33 C ATOM 564 CD2 LEU A 34 -11.688 4.159 -6.143 1.00 34.13 C ATOM 0 H LEU A 34 -11.921 0.558 -4.998 1.00 72.31 H new ATOM 0 HA LEU A 34 -11.286 3.010 -3.668 1.00 72.23 H new ATOM 0 HB2 LEU A 34 -13.929 1.875 -4.716 1.00 54.23 H new ATOM 0 HB3 LEU A 34 -13.684 3.541 -4.231 1.00 54.23 H new ATOM 0 HG LEU A 34 -12.300 2.148 -6.568 1.00 22.12 H new ATOM 0 HD11 LEU A 34 -13.644 3.654 -8.011 1.00 74.33 H new ATOM 0 HD12 LEU A 34 -14.666 2.564 -7.044 1.00 74.33 H new ATOM 0 HD13 LEU A 34 -14.486 4.269 -6.569 1.00 74.33 H new ATOM 0 HD21 LEU A 34 -11.410 4.386 -7.172 1.00 34.13 H new ATOM 0 HD22 LEU A 34 -12.095 5.054 -5.672 1.00 34.13 H new ATOM 0 HD23 LEU A 34 -10.807 3.829 -5.593 1.00 34.13 H new ATOM 576 N GLN A 35 -12.889 0.760 -1.919 1.00 3.13 N ATOM 577 CA GLN A 35 -13.421 0.415 -0.585 1.00 70.41 C ATOM 578 C GLN A 35 -12.269 0.348 0.437 1.00 50.44 C ATOM 579 O GLN A 35 -12.233 1.104 1.418 1.00 62.55 O ATOM 580 CB GLN A 35 -14.179 -0.945 -0.654 1.00 71.21 C ATOM 581 CG GLN A 35 -14.793 -1.436 0.679 1.00 2.33 C ATOM 582 CD GLN A 35 -15.843 -0.471 1.252 1.00 71.13 C ATOM 583 OE1 GLN A 35 -15.534 0.415 2.051 1.00 42.44 O ATOM 584 NE2 GLN A 35 -17.084 -0.616 0.825 1.00 51.31 N ATOM 0 H GLN A 35 -12.773 -0.044 -2.536 1.00 3.13 H new ATOM 0 HA GLN A 35 -14.122 1.185 -0.264 1.00 70.41 H new ATOM 0 HB2 GLN A 35 -14.977 -0.859 -1.391 1.00 71.21 H new ATOM 0 HB3 GLN A 35 -13.490 -1.707 -1.018 1.00 71.21 H new ATOM 0 HG2 GLN A 35 -15.253 -2.412 0.523 1.00 2.33 H new ATOM 0 HG3 GLN A 35 -13.996 -1.572 1.410 1.00 2.33 H new ATOM 0 HE21 GLN A 35 -17.312 -1.358 0.163 1.00 51.31 H new ATOM 0 HE22 GLN A 35 -17.814 0.014 1.157 1.00 51.31 H new ATOM 593 N GLN A 36 -11.306 -0.531 0.144 1.00 4.32 N ATOM 594 CA GLN A 36 -10.116 -0.778 0.979 1.00 30.12 C ATOM 595 C GLN A 36 -9.099 0.377 0.891 1.00 62.02 C ATOM 596 O GLN A 36 -8.117 0.355 1.618 1.00 4.23 O ATOM 597 CB GLN A 36 -9.470 -2.136 0.602 1.00 44.30 C ATOM 598 CG GLN A 36 -10.380 -3.370 0.873 1.00 53.22 C ATOM 599 CD GLN A 36 -9.893 -4.673 0.225 1.00 12.45 C ATOM 600 OE1 GLN A 36 -10.061 -5.761 0.771 1.00 2.11 O ATOM 601 NE2 GLN A 36 -9.364 -4.591 -0.983 1.00 24.23 N ATOM 0 H GLN A 36 -11.328 -1.106 -0.698 1.00 4.32 H new ATOM 0 HA GLN A 36 -10.439 -0.827 2.019 1.00 30.12 H new ATOM 0 HB2 GLN A 36 -9.205 -2.119 -0.455 1.00 44.30 H new ATOM 0 HB3 GLN A 36 -8.542 -2.253 1.162 1.00 44.30 H new ATOM 0 HG2 GLN A 36 -10.456 -3.521 1.950 1.00 53.22 H new ATOM 0 HG3 GLN A 36 -11.384 -3.152 0.510 1.00 53.22 H new ATOM 0 HE21 GLN A 36 -9.232 -3.679 -1.421 1.00 24.23 H new ATOM 0 HE22 GLN A 36 -9.088 -5.439 -1.477 1.00 24.23 H new ATOM 610 N GLU A 37 -9.317 1.322 -0.057 1.00 30.44 N ATOM 611 CA GLU A 37 -8.520 2.566 -0.215 1.00 33.50 C ATOM 612 C GLU A 37 -8.228 3.255 1.125 1.00 24.33 C ATOM 613 O GLU A 37 -7.053 3.423 1.500 1.00 2.43 O ATOM 614 CB GLU A 37 -9.280 3.543 -1.158 1.00 23.12 C ATOM 615 CG GLU A 37 -8.617 4.912 -1.389 1.00 23.11 C ATOM 616 CD GLU A 37 -9.386 5.777 -2.399 1.00 25.23 C ATOM 617 OE1 GLU A 37 -8.831 6.113 -3.470 1.00 74.43 O ATOM 618 OE2 GLU A 37 -10.552 6.137 -2.110 1.00 45.40 O ATOM 0 H GLU A 37 -10.065 1.240 -0.746 1.00 30.44 H new ATOM 0 HA GLU A 37 -7.558 2.290 -0.646 1.00 33.50 H new ATOM 0 HB2 GLU A 37 -9.409 3.056 -2.125 1.00 23.12 H new ATOM 0 HB3 GLU A 37 -10.277 3.709 -0.749 1.00 23.12 H new ATOM 0 HG2 GLU A 37 -8.548 5.443 -0.440 1.00 23.11 H new ATOM 0 HG3 GLU A 37 -7.598 4.763 -1.746 1.00 23.11 H new ATOM 625 N VAL A 38 -9.306 3.597 1.864 1.00 62.21 N ATOM 626 CA VAL A 38 -9.202 4.270 3.166 1.00 51.20 C ATOM 627 C VAL A 38 -8.421 3.401 4.174 1.00 0.42 C ATOM 628 O VAL A 38 -7.611 3.918 4.924 1.00 13.52 O ATOM 629 CB VAL A 38 -10.615 4.667 3.750 1.00 44.33 C ATOM 630 CG1 VAL A 38 -11.509 3.429 4.010 1.00 62.41 C ATOM 631 CG2 VAL A 38 -10.475 5.536 5.027 1.00 31.44 C ATOM 0 H VAL A 38 -10.266 3.413 1.572 1.00 62.21 H new ATOM 0 HA VAL A 38 -8.650 5.195 3.002 1.00 51.20 H new ATOM 0 HB VAL A 38 -11.114 5.267 2.989 1.00 44.33 H new ATOM 0 HG11 VAL A 38 -12.470 3.752 4.411 1.00 62.41 H new ATOM 0 HG12 VAL A 38 -11.668 2.892 3.075 1.00 62.41 H new ATOM 0 HG13 VAL A 38 -11.019 2.771 4.727 1.00 62.41 H new ATOM 0 HG21 VAL A 38 -11.465 5.792 5.403 1.00 31.44 H new ATOM 0 HG22 VAL A 38 -9.930 4.978 5.789 1.00 31.44 H new ATOM 0 HG23 VAL A 38 -9.931 6.450 4.788 1.00 31.44 H new ATOM 641 N SER A 39 -8.630 2.072 4.101 1.00 62.13 N ATOM 642 CA SER A 39 -8.048 1.100 5.041 1.00 72.11 C ATOM 643 C SER A 39 -6.557 0.829 4.757 1.00 53.42 C ATOM 644 O SER A 39 -5.790 0.542 5.679 1.00 31.50 O ATOM 645 CB SER A 39 -8.860 -0.208 4.970 1.00 12.21 C ATOM 646 OG SER A 39 -10.240 0.039 5.223 1.00 44.53 O ATOM 0 H SER A 39 -9.212 1.642 3.382 1.00 62.13 H new ATOM 0 HA SER A 39 -8.100 1.521 6.045 1.00 72.11 H new ATOM 0 HB2 SER A 39 -8.742 -0.662 3.986 1.00 12.21 H new ATOM 0 HB3 SER A 39 -8.474 -0.921 5.699 1.00 12.21 H new ATOM 0 HG SER A 39 -10.738 -0.804 5.172 1.00 44.53 H new ATOM 652 N TYR A 40 -6.160 0.934 3.476 1.00 3.30 N ATOM 653 CA TYR A 40 -4.774 0.692 3.044 1.00 22.54 C ATOM 654 C TYR A 40 -3.919 1.905 3.391 1.00 60.02 C ATOM 655 O TYR A 40 -2.815 1.766 3.914 1.00 14.33 O ATOM 656 CB TYR A 40 -4.693 0.390 1.523 1.00 65.54 C ATOM 657 CG TYR A 40 -3.283 -0.005 1.035 1.00 74.04 C ATOM 658 CD1 TYR A 40 -2.630 0.688 0.014 1.00 54.42 C ATOM 659 CD2 TYR A 40 -2.612 -1.093 1.593 1.00 15.44 C ATOM 660 CE1 TYR A 40 -1.374 0.307 -0.424 1.00 64.25 C ATOM 661 CE2 TYR A 40 -1.359 -1.466 1.158 1.00 54.34 C ATOM 662 CZ TYR A 40 -0.745 -0.768 0.150 1.00 54.54 C ATOM 663 OH TYR A 40 0.507 -1.151 -0.288 1.00 11.33 O ATOM 0 H TYR A 40 -6.789 1.188 2.715 1.00 3.30 H new ATOM 0 HA TYR A 40 -4.397 -0.186 3.569 1.00 22.54 H new ATOM 0 HB2 TYR A 40 -5.387 -0.416 1.286 1.00 65.54 H new ATOM 0 HB3 TYR A 40 -5.024 1.269 0.970 1.00 65.54 H new ATOM 0 HD1 TYR A 40 -3.115 1.538 -0.443 1.00 54.42 H new ATOM 0 HD2 TYR A 40 -3.085 -1.656 2.384 1.00 15.44 H new ATOM 0 HE1 TYR A 40 -0.889 0.856 -1.218 1.00 64.25 H new ATOM 0 HE2 TYR A 40 -0.860 -2.309 1.612 1.00 54.34 H new ATOM 0 HH TYR A 40 0.902 -1.775 0.356 1.00 11.33 H new ATOM 673 N LEU A 41 -4.461 3.099 3.113 1.00 40.04 N ATOM 674 CA LEU A 41 -3.787 4.368 3.417 1.00 61.02 C ATOM 675 C LEU A 41 -3.805 4.650 4.938 1.00 43.04 C ATOM 676 O LEU A 41 -2.905 5.318 5.458 1.00 62.23 O ATOM 677 CB LEU A 41 -4.427 5.518 2.589 1.00 1.41 C ATOM 678 CG LEU A 41 -4.381 5.323 1.029 1.00 52.24 C ATOM 679 CD1 LEU A 41 -5.022 6.517 0.286 1.00 10.04 C ATOM 680 CD2 LEU A 41 -2.938 5.056 0.527 1.00 15.23 C ATOM 0 H LEU A 41 -5.374 3.212 2.673 1.00 40.04 H new ATOM 0 HA LEU A 41 -2.738 4.299 3.127 1.00 61.02 H new ATOM 0 HB2 LEU A 41 -5.467 5.630 2.895 1.00 1.41 H new ATOM 0 HB3 LEU A 41 -3.920 6.450 2.838 1.00 1.41 H new ATOM 0 HG LEU A 41 -4.975 4.438 0.800 1.00 52.24 H new ATOM 0 HD11 LEU A 41 -4.971 6.346 -0.789 1.00 10.04 H new ATOM 0 HD12 LEU A 41 -6.064 6.617 0.589 1.00 10.04 H new ATOM 0 HD13 LEU A 41 -4.483 7.431 0.534 1.00 10.04 H new ATOM 0 HD21 LEU A 41 -2.947 4.927 -0.555 1.00 15.23 H new ATOM 0 HD22 LEU A 41 -2.300 5.901 0.786 1.00 15.23 H new ATOM 0 HD23 LEU A 41 -2.551 4.152 0.997 1.00 15.23 H new ATOM 692 N GLN A 42 -4.820 4.098 5.644 1.00 11.03 N ATOM 693 CA GLN A 42 -4.894 4.158 7.118 1.00 54.11 C ATOM 694 C GLN A 42 -3.804 3.277 7.743 1.00 42.24 C ATOM 695 O GLN A 42 -3.087 3.725 8.637 1.00 13.43 O ATOM 696 CB GLN A 42 -6.293 3.710 7.630 1.00 73.13 C ATOM 697 CG GLN A 42 -6.497 3.779 9.162 1.00 55.24 C ATOM 698 CD GLN A 42 -6.344 5.194 9.731 1.00 43.51 C ATOM 699 OE1 GLN A 42 -5.257 5.606 10.145 1.00 23.14 O ATOM 700 NE2 GLN A 42 -7.425 5.955 9.736 1.00 22.01 N ATOM 0 H GLN A 42 -5.601 3.605 5.211 1.00 11.03 H new ATOM 0 HA GLN A 42 -4.735 5.194 7.418 1.00 54.11 H new ATOM 0 HB2 GLN A 42 -7.051 4.331 7.152 1.00 73.13 H new ATOM 0 HB3 GLN A 42 -6.468 2.685 7.304 1.00 73.13 H new ATOM 0 HG2 GLN A 42 -7.490 3.402 9.407 1.00 55.24 H new ATOM 0 HG3 GLN A 42 -5.777 3.120 9.647 1.00 55.24 H new ATOM 0 HE21 GLN A 42 -8.310 5.586 9.387 1.00 22.01 H new ATOM 0 HE22 GLN A 42 -7.374 6.911 10.089 1.00 22.01 H new ATOM 709 N SER A 43 -3.680 2.020 7.245 1.00 70.44 N ATOM 710 CA SER A 43 -2.692 1.048 7.757 1.00 24.01 C ATOM 711 C SER A 43 -1.250 1.542 7.506 1.00 54.13 C ATOM 712 O SER A 43 -0.376 1.414 8.379 1.00 31.24 O ATOM 713 CB SER A 43 -2.940 -0.349 7.143 1.00 70.44 C ATOM 714 OG SER A 43 -2.928 -0.324 5.726 1.00 0.45 O ATOM 0 H SER A 43 -4.257 1.659 6.486 1.00 70.44 H new ATOM 0 HA SER A 43 -2.816 0.960 8.836 1.00 24.01 H new ATOM 0 HB2 SER A 43 -2.176 -1.040 7.498 1.00 70.44 H new ATOM 0 HB3 SER A 43 -3.901 -0.730 7.489 1.00 70.44 H new ATOM 0 HG SER A 43 -2.915 0.605 5.415 1.00 0.45 H new ATOM 720 N ILE A 44 -1.041 2.135 6.309 1.00 20.34 N ATOM 721 CA ILE A 44 0.215 2.807 5.923 1.00 64.04 C ATOM 722 C ILE A 44 0.553 3.931 6.922 1.00 61.21 C ATOM 723 O ILE A 44 1.655 3.953 7.508 1.00 35.40 O ATOM 724 CB ILE A 44 0.100 3.373 4.440 1.00 61.01 C ATOM 725 CG1 ILE A 44 0.268 2.213 3.399 1.00 15.40 C ATOM 726 CG2 ILE A 44 1.082 4.540 4.157 1.00 63.31 C ATOM 727 CD1 ILE A 44 0.112 2.623 1.941 1.00 71.33 C ATOM 0 H ILE A 44 -1.750 2.159 5.577 1.00 20.34 H new ATOM 0 HA ILE A 44 1.027 2.081 5.949 1.00 64.04 H new ATOM 0 HB ILE A 44 -0.899 3.795 4.335 1.00 61.01 H new ATOM 0 HG12 ILE A 44 1.254 1.768 3.531 1.00 15.40 H new ATOM 0 HG13 ILE A 44 -0.464 1.437 3.622 1.00 15.40 H new ATOM 0 HG21 ILE A 44 0.955 4.882 3.130 1.00 63.31 H new ATOM 0 HG22 ILE A 44 0.876 5.363 4.841 1.00 63.31 H new ATOM 0 HG23 ILE A 44 2.106 4.196 4.301 1.00 63.31 H new ATOM 0 HD11 ILE A 44 0.246 1.751 1.301 1.00 71.33 H new ATOM 0 HD12 ILE A 44 -0.884 3.038 1.784 1.00 71.33 H new ATOM 0 HD13 ILE A 44 0.862 3.374 1.692 1.00 71.33 H new ATOM 739 N GLU A 45 -0.432 4.824 7.140 1.00 50.12 N ATOM 740 CA GLU A 45 -0.261 6.007 7.987 1.00 32.24 C ATOM 741 C GLU A 45 0.052 5.610 9.437 1.00 43.43 C ATOM 742 O GLU A 45 0.979 6.155 10.038 1.00 44.33 O ATOM 743 CB GLU A 45 -1.523 6.900 7.924 1.00 62.20 C ATOM 744 CG GLU A 45 -1.387 8.218 8.705 1.00 12.52 C ATOM 745 CD GLU A 45 -2.567 9.173 8.499 1.00 73.11 C ATOM 746 OE1 GLU A 45 -2.493 10.041 7.604 1.00 21.43 O ATOM 747 OE2 GLU A 45 -3.574 9.059 9.223 1.00 14.13 O ATOM 0 H GLU A 45 -1.363 4.741 6.733 1.00 50.12 H new ATOM 0 HA GLU A 45 0.588 6.576 7.608 1.00 32.24 H new ATOM 0 HB2 GLU A 45 -1.745 7.127 6.881 1.00 62.20 H new ATOM 0 HB3 GLU A 45 -2.373 6.341 8.316 1.00 62.20 H new ATOM 0 HG2 GLU A 45 -1.292 7.994 9.767 1.00 12.52 H new ATOM 0 HG3 GLU A 45 -0.467 8.718 8.401 1.00 12.52 H new ATOM 754 N THR A 46 -0.684 4.610 9.960 1.00 41.31 N ATOM 755 CA THR A 46 -0.595 4.207 11.374 1.00 22.25 C ATOM 756 C THR A 46 0.682 3.389 11.659 1.00 34.33 C ATOM 757 O THR A 46 1.194 3.436 12.777 1.00 30.44 O ATOM 758 CB THR A 46 -1.870 3.415 11.854 1.00 21.23 C ATOM 759 OG1 THR A 46 -1.855 3.282 13.283 1.00 74.40 O ATOM 760 CG2 THR A 46 -1.977 2.014 11.230 1.00 74.21 C ATOM 0 H THR A 46 -1.352 4.063 9.417 1.00 41.31 H new ATOM 0 HA THR A 46 -0.544 5.132 11.948 1.00 22.25 H new ATOM 0 HB THR A 46 -2.734 3.993 11.525 1.00 21.23 H new ATOM 0 HG1 THR A 46 -2.651 2.790 13.574 1.00 74.40 H new ATOM 0 HG21 THR A 46 -2.875 1.519 11.599 1.00 74.21 H new ATOM 0 HG22 THR A 46 -2.031 2.102 10.145 1.00 74.21 H new ATOM 0 HG23 THR A 46 -1.100 1.426 11.503 1.00 74.21 H new ATOM 768 N VAL A 47 1.206 2.638 10.656 1.00 61.04 N ATOM 769 CA VAL A 47 2.459 1.867 10.849 1.00 52.53 C ATOM 770 C VAL A 47 3.676 2.812 10.785 1.00 63.00 C ATOM 771 O VAL A 47 4.652 2.633 11.523 1.00 75.20 O ATOM 772 CB VAL A 47 2.641 0.679 9.821 1.00 52.23 C ATOM 773 CG1 VAL A 47 3.185 1.150 8.445 1.00 33.02 C ATOM 774 CG2 VAL A 47 3.534 -0.431 10.422 1.00 42.11 C ATOM 0 H VAL A 47 0.792 2.551 9.728 1.00 61.04 H new ATOM 0 HA VAL A 47 2.387 1.409 11.836 1.00 52.53 H new ATOM 0 HB VAL A 47 1.649 0.268 9.635 1.00 52.23 H new ATOM 0 HG11 VAL A 47 3.289 0.291 7.782 1.00 33.02 H new ATOM 0 HG12 VAL A 47 2.491 1.866 8.005 1.00 33.02 H new ATOM 0 HG13 VAL A 47 4.157 1.623 8.581 1.00 33.02 H new ATOM 0 HG21 VAL A 47 3.647 -1.239 9.699 1.00 42.11 H new ATOM 0 HG22 VAL A 47 4.514 -0.019 10.662 1.00 42.11 H new ATOM 0 HG23 VAL A 47 3.071 -0.818 11.330 1.00 42.11 H new ATOM 784 N MET A 48 3.593 3.827 9.893 1.00 25.21 N ATOM 785 CA MET A 48 4.655 4.837 9.737 1.00 11.40 C ATOM 786 C MET A 48 4.619 5.812 10.931 1.00 24.43 C ATOM 787 O MET A 48 5.644 6.393 11.303 1.00 5.24 O ATOM 788 CB MET A 48 4.500 5.571 8.375 1.00 30.25 C ATOM 789 CG MET A 48 5.650 6.529 8.026 1.00 31.24 C ATOM 790 SD MET A 48 5.555 7.155 6.330 1.00 61.40 S ATOM 791 CE MET A 48 5.867 5.673 5.356 1.00 70.12 C ATOM 0 H MET A 48 2.797 3.964 9.271 1.00 25.21 H new ATOM 0 HA MET A 48 5.631 4.352 9.732 1.00 11.40 H new ATOM 0 HB2 MET A 48 4.414 4.826 7.584 1.00 30.25 H new ATOM 0 HB3 MET A 48 3.567 6.134 8.386 1.00 30.25 H new ATOM 0 HG2 MET A 48 5.639 7.370 8.719 1.00 31.24 H new ATOM 0 HG3 MET A 48 6.600 6.014 8.165 1.00 31.24 H new ATOM 0 HE1 MET A 48 6.702 5.852 4.678 1.00 70.12 H new ATOM 0 HE2 MET A 48 6.111 4.845 6.021 1.00 70.12 H new ATOM 0 HE3 MET A 48 4.977 5.423 4.778 1.00 70.12 H new ATOM 801 N GLU A 49 3.428 5.943 11.540 1.00 65.21 N ATOM 802 CA GLU A 49 3.216 6.717 12.772 1.00 41.32 C ATOM 803 C GLU A 49 3.636 5.894 14.011 1.00 52.34 C ATOM 804 O GLU A 49 3.985 6.467 15.053 1.00 1.43 O ATOM 805 CB GLU A 49 1.719 7.132 12.875 1.00 25.33 C ATOM 806 CG GLU A 49 1.385 8.115 14.017 1.00 2.13 C ATOM 807 CD GLU A 49 2.125 9.456 13.887 1.00 22.13 C ATOM 808 OE1 GLU A 49 3.138 9.658 14.589 1.00 14.03 O ATOM 809 OE2 GLU A 49 1.706 10.301 13.069 1.00 32.41 O ATOM 0 H GLU A 49 2.576 5.509 11.185 1.00 65.21 H new ATOM 0 HA GLU A 49 3.834 7.614 12.738 1.00 41.32 H new ATOM 0 HB2 GLU A 49 1.418 7.583 11.930 1.00 25.33 H new ATOM 0 HB3 GLU A 49 1.118 6.232 13.004 1.00 25.33 H new ATOM 0 HG2 GLU A 49 0.311 8.298 14.029 1.00 2.13 H new ATOM 0 HG3 GLU A 49 1.641 7.656 14.972 1.00 2.13 H new ATOM 816 N LYS A 50 3.604 4.549 13.889 1.00 22.30 N ATOM 817 CA LYS A 50 3.919 3.640 15.002 1.00 24.14 C ATOM 818 C LYS A 50 5.411 3.709 15.358 1.00 3.41 C ATOM 819 O LYS A 50 6.253 3.137 14.654 1.00 44.54 O ATOM 820 CB LYS A 50 3.509 2.165 14.674 1.00 31.42 C ATOM 821 CG LYS A 50 3.796 1.105 15.793 1.00 23.32 C ATOM 822 CD LYS A 50 2.757 1.068 16.954 1.00 72.24 C ATOM 823 CE LYS A 50 2.751 2.308 17.870 1.00 33.01 C ATOM 824 NZ LYS A 50 4.052 2.516 18.555 1.00 33.55 N ATOM 0 H LYS A 50 3.361 4.070 13.022 1.00 22.30 H new ATOM 0 HA LYS A 50 3.337 3.968 15.864 1.00 24.14 H new ATOM 0 HB2 LYS A 50 2.442 2.147 14.450 1.00 31.42 H new ATOM 0 HB3 LYS A 50 4.031 1.857 13.768 1.00 31.42 H new ATOM 0 HG2 LYS A 50 3.839 0.118 15.333 1.00 23.32 H new ATOM 0 HG3 LYS A 50 4.781 1.303 16.215 1.00 23.32 H new ATOM 0 HD2 LYS A 50 1.762 0.948 16.526 1.00 72.24 H new ATOM 0 HD3 LYS A 50 2.950 0.186 17.565 1.00 72.24 H new ATOM 0 HE2 LYS A 50 2.510 3.191 17.278 1.00 33.01 H new ATOM 0 HE3 LYS A 50 1.964 2.200 18.617 1.00 33.01 H new ATOM 0 HZ1 LYS A 50 4.024 3.407 19.091 1.00 33.55 H new ATOM 0 HZ2 LYS A 50 4.232 1.725 19.206 1.00 33.55 H new ATOM 0 HZ3 LYS A 50 4.813 2.562 17.848 1.00 33.55 H new ATOM 838 N GLN A 51 5.716 4.444 16.445 1.00 51.24 N ATOM 839 CA GLN A 51 7.065 4.518 17.022 1.00 32.05 C ATOM 840 C GLN A 51 7.508 3.115 17.473 1.00 3.21 C ATOM 841 O GLN A 51 6.832 2.468 18.288 1.00 34.24 O ATOM 842 CB GLN A 51 7.093 5.515 18.211 1.00 12.13 C ATOM 843 CG GLN A 51 6.747 6.971 17.833 1.00 40.12 C ATOM 844 CD GLN A 51 6.835 7.956 19.011 1.00 72.14 C ATOM 845 OE1 GLN A 51 7.618 7.774 19.947 1.00 14.30 O ATOM 846 NE2 GLN A 51 6.051 9.016 18.972 1.00 44.35 N ATOM 0 H GLN A 51 5.027 5.004 16.947 1.00 51.24 H new ATOM 0 HA GLN A 51 7.760 4.881 16.265 1.00 32.05 H new ATOM 0 HB2 GLN A 51 6.391 5.174 18.972 1.00 12.13 H new ATOM 0 HB3 GLN A 51 8.085 5.496 18.662 1.00 12.13 H new ATOM 0 HG2 GLN A 51 7.422 7.302 17.044 1.00 40.12 H new ATOM 0 HG3 GLN A 51 5.738 7.000 17.422 1.00 40.12 H new ATOM 0 HE21 GLN A 51 5.411 9.148 18.189 1.00 44.35 H new ATOM 0 HE22 GLN A 51 6.085 9.704 19.725 1.00 44.35 H new ATOM 855 N THR A 52 8.617 2.652 16.901 1.00 63.43 N ATOM 856 CA THR A 52 9.157 1.304 17.118 1.00 42.42 C ATOM 857 C THR A 52 10.282 1.357 18.174 1.00 64.01 C ATOM 858 O THR A 52 11.074 2.313 18.159 1.00 30.32 O ATOM 859 CB THR A 52 9.710 0.742 15.764 1.00 70.24 C ATOM 860 OG1 THR A 52 8.708 0.910 14.747 1.00 53.33 O ATOM 861 CG2 THR A 52 10.104 -0.751 15.853 1.00 74.54 C ATOM 0 H THR A 52 9.180 3.211 16.260 1.00 63.43 H new ATOM 0 HA THR A 52 8.367 0.647 17.481 1.00 42.42 H new ATOM 0 HB THR A 52 10.615 1.299 15.520 1.00 70.24 H new ATOM 0 HG1 THR A 52 8.593 0.068 14.258 1.00 53.33 H new ATOM 0 HG21 THR A 52 10.480 -1.086 14.886 1.00 74.54 H new ATOM 0 HG22 THR A 52 10.880 -0.878 16.608 1.00 74.54 H new ATOM 0 HG23 THR A 52 9.230 -1.342 16.127 1.00 74.54 H new ATOM 869 N PRO A 53 10.355 0.367 19.135 1.00 23.53 N ATOM 870 CA PRO A 53 11.505 0.249 20.073 1.00 52.21 C ATOM 871 C PRO A 53 12.874 0.174 19.327 1.00 3.12 C ATOM 872 O PRO A 53 12.924 -0.306 18.183 1.00 12.41 O ATOM 873 CB PRO A 53 11.200 -1.073 20.840 1.00 42.11 C ATOM 874 CG PRO A 53 9.709 -1.228 20.762 1.00 15.13 C ATOM 875 CD PRO A 53 9.318 -0.674 19.408 1.00 60.41 C ATOM 0 HA PRO A 53 11.602 1.116 20.727 1.00 52.21 H new ATOM 0 HB2 PRO A 53 11.710 -1.921 20.384 1.00 42.11 H new ATOM 0 HB3 PRO A 53 11.538 -1.017 21.875 1.00 42.11 H new ATOM 0 HG2 PRO A 53 9.417 -2.274 20.858 1.00 15.13 H new ATOM 0 HG3 PRO A 53 9.215 -0.684 21.567 1.00 15.13 H new ATOM 0 HD2 PRO A 53 9.319 -1.450 18.643 1.00 60.41 H new ATOM 0 HD3 PRO A 53 8.316 -0.245 19.425 1.00 60.41 H new ATOM 883 N PRO A 54 14.004 0.630 19.975 1.00 64.13 N ATOM 884 CA PRO A 54 15.353 0.648 19.343 1.00 32.54 C ATOM 885 C PRO A 54 15.839 -0.763 18.964 1.00 0.23 C ATOM 886 O PRO A 54 16.327 -0.981 17.849 1.00 12.34 O ATOM 887 CB PRO A 54 16.262 1.298 20.429 1.00 22.01 C ATOM 888 CG PRO A 54 15.316 2.039 21.325 1.00 60.43 C ATOM 889 CD PRO A 54 14.061 1.193 21.352 1.00 72.45 C ATOM 0 HA PRO A 54 15.360 1.198 18.402 1.00 32.54 H new ATOM 0 HB2 PRO A 54 16.821 0.542 20.982 1.00 22.01 H new ATOM 0 HB3 PRO A 54 16.993 1.971 19.982 1.00 22.01 H new ATOM 0 HG2 PRO A 54 15.732 2.160 22.325 1.00 60.43 H new ATOM 0 HG3 PRO A 54 15.110 3.039 20.942 1.00 60.43 H new ATOM 0 HD2 PRO A 54 14.120 0.408 22.106 1.00 72.45 H new ATOM 0 HD3 PRO A 54 13.178 1.789 21.581 1.00 72.45 H new ATOM 897 N GLY A 55 15.708 -1.700 19.924 1.00 13.34 N ATOM 898 CA GLY A 55 16.164 -3.076 19.757 1.00 40.11 C ATOM 899 C GLY A 55 15.283 -3.901 18.822 1.00 4.22 C ATOM 900 O GLY A 55 14.491 -4.739 19.274 1.00 14.51 O ATOM 0 H GLY A 55 15.282 -1.515 20.832 1.00 13.34 H new ATOM 0 HA2 GLY A 55 17.183 -3.068 19.370 1.00 40.11 H new ATOM 0 HA3 GLY A 55 16.197 -3.560 20.733 1.00 40.11 H new ATOM 904 N ILE A 56 15.419 -3.643 17.513 1.00 44.23 N ATOM 905 CA ILE A 56 14.730 -4.389 16.456 1.00 71.33 C ATOM 906 C ILE A 56 15.492 -5.717 16.208 1.00 43.44 C ATOM 907 O ILE A 56 16.543 -5.738 15.562 1.00 45.24 O ATOM 908 CB ILE A 56 14.582 -3.501 15.139 1.00 4.45 C ATOM 909 CG1 ILE A 56 13.943 -4.300 13.957 1.00 12.54 C ATOM 910 CG2 ILE A 56 15.925 -2.847 14.706 1.00 73.54 C ATOM 911 CD1 ILE A 56 12.539 -4.826 14.218 1.00 75.52 C ATOM 0 H ILE A 56 16.020 -2.900 17.157 1.00 44.23 H new ATOM 0 HA ILE A 56 13.714 -4.634 16.765 1.00 71.33 H new ATOM 0 HB ILE A 56 13.898 -2.693 15.400 1.00 4.45 H new ATOM 0 HG12 ILE A 56 13.916 -3.657 13.077 1.00 12.54 H new ATOM 0 HG13 ILE A 56 14.591 -5.143 13.716 1.00 12.54 H new ATOM 0 HG21 ILE A 56 15.767 -2.254 13.805 1.00 73.54 H new ATOM 0 HG22 ILE A 56 16.290 -2.202 15.505 1.00 73.54 H new ATOM 0 HG23 ILE A 56 16.660 -3.626 14.504 1.00 73.54 H new ATOM 0 HD11 ILE A 56 12.183 -5.365 13.340 1.00 75.52 H new ATOM 0 HD12 ILE A 56 12.556 -5.499 15.075 1.00 75.52 H new ATOM 0 HD13 ILE A 56 11.870 -3.991 14.426 1.00 75.52 H new ATOM 923 N THR A 57 14.987 -6.818 16.800 1.00 41.05 N ATOM 924 CA THR A 57 15.656 -8.136 16.750 1.00 2.05 C ATOM 925 C THR A 57 15.358 -8.865 15.418 1.00 45.55 C ATOM 926 O THR A 57 14.506 -8.424 14.641 1.00 22.42 O ATOM 927 CB THR A 57 15.263 -9.019 17.980 1.00 40.21 C ATOM 928 OG1 THR A 57 16.137 -10.159 18.062 1.00 4.14 O ATOM 929 CG2 THR A 57 13.800 -9.487 17.917 1.00 52.15 C ATOM 0 H THR A 57 14.111 -6.821 17.323 1.00 41.05 H new ATOM 0 HA THR A 57 16.731 -7.963 16.799 1.00 2.05 H new ATOM 0 HB THR A 57 15.371 -8.402 18.872 1.00 40.21 H new ATOM 0 HG1 THR A 57 15.888 -10.708 18.835 1.00 4.14 H new ATOM 0 HG21 THR A 57 13.575 -10.096 18.792 1.00 52.15 H new ATOM 0 HG22 THR A 57 13.141 -8.619 17.900 1.00 52.15 H new ATOM 0 HG23 THR A 57 13.646 -10.078 17.014 1.00 52.15 H new ATOM 937 N ARG A 58 16.045 -10.009 15.213 1.00 2.33 N ATOM 938 CA ARG A 58 16.160 -10.691 13.904 1.00 63.31 C ATOM 939 C ARG A 58 14.815 -11.257 13.412 1.00 71.02 C ATOM 940 O ARG A 58 14.491 -11.107 12.237 1.00 72.21 O ATOM 941 CB ARG A 58 17.240 -11.825 13.947 1.00 34.45 C ATOM 942 CG ARG A 58 18.721 -11.336 14.047 1.00 74.24 C ATOM 943 CD ARG A 58 19.081 -10.668 15.395 1.00 10.54 C ATOM 944 NE ARG A 58 20.469 -10.178 15.444 1.00 20.44 N ATOM 945 CZ ARG A 58 21.055 -9.653 16.540 1.00 43.31 C ATOM 946 NH1 ARG A 58 20.391 -9.547 17.692 1.00 73.31 N ATOM 947 NH2 ARG A 58 22.315 -9.251 16.478 1.00 55.32 N ATOM 0 H ARG A 58 16.542 -10.492 15.961 1.00 2.33 H new ATOM 0 HA ARG A 58 16.476 -9.930 13.190 1.00 63.31 H new ATOM 0 HB2 ARG A 58 17.030 -12.471 14.799 1.00 34.45 H new ATOM 0 HB3 ARG A 58 17.137 -12.436 13.050 1.00 34.45 H new ATOM 0 HG2 ARG A 58 19.384 -12.187 13.888 1.00 74.24 H new ATOM 0 HG3 ARG A 58 18.913 -10.628 13.241 1.00 74.24 H new ATOM 0 HD2 ARG A 58 18.401 -9.835 15.574 1.00 10.54 H new ATOM 0 HD3 ARG A 58 18.926 -11.385 16.202 1.00 10.54 H new ATOM 0 HE ARG A 58 21.025 -10.240 14.591 1.00 20.44 H new ATOM 0 HH11 ARG A 58 19.424 -9.866 17.754 1.00 73.31 H new ATOM 0 HH12 ARG A 58 20.850 -9.147 18.510 1.00 73.31 H new ATOM 0 HH21 ARG A 58 22.836 -9.339 15.606 1.00 55.32 H new ATOM 0 HH22 ARG A 58 22.765 -8.853 17.303 1.00 55.32 H new ATOM 961 N SER A 59 14.043 -11.901 14.315 1.00 32.45 N ATOM 962 CA SER A 59 12.752 -12.529 13.960 1.00 31.11 C ATOM 963 C SER A 59 11.689 -11.478 13.584 1.00 14.12 C ATOM 964 O SER A 59 10.971 -11.649 12.584 1.00 53.55 O ATOM 965 CB SER A 59 12.260 -13.431 15.118 1.00 23.25 C ATOM 966 OG SER A 59 13.216 -14.446 15.407 1.00 30.21 O ATOM 0 H SER A 59 14.293 -11.999 15.299 1.00 32.45 H new ATOM 0 HA SER A 59 12.911 -13.150 13.078 1.00 31.11 H new ATOM 0 HB2 SER A 59 12.085 -12.826 16.007 1.00 23.25 H new ATOM 0 HB3 SER A 59 11.307 -13.888 14.850 1.00 23.25 H new ATOM 0 HG SER A 59 12.888 -15.005 16.142 1.00 30.21 H new ATOM 972 N ILE A 60 11.616 -10.385 14.383 1.00 54.33 N ATOM 973 CA ILE A 60 10.708 -9.256 14.112 1.00 2.41 C ATOM 974 C ILE A 60 11.061 -8.631 12.757 1.00 10.13 C ATOM 975 O ILE A 60 10.210 -8.536 11.885 1.00 52.23 O ATOM 976 CB ILE A 60 10.775 -8.145 15.227 1.00 51.33 C ATOM 977 CG1 ILE A 60 10.460 -8.739 16.629 1.00 14.25 C ATOM 978 CG2 ILE A 60 9.812 -6.968 14.901 1.00 72.23 C ATOM 979 CD1 ILE A 60 10.640 -7.752 17.772 1.00 74.35 C ATOM 0 H ILE A 60 12.181 -10.267 15.224 1.00 54.33 H new ATOM 0 HA ILE A 60 9.693 -9.652 14.103 1.00 2.41 H new ATOM 0 HB ILE A 60 11.793 -7.756 15.245 1.00 51.33 H new ATOM 0 HG12 ILE A 60 9.433 -9.104 16.636 1.00 14.25 H new ATOM 0 HG13 ILE A 60 11.105 -9.600 16.801 1.00 14.25 H new ATOM 0 HG21 ILE A 60 9.878 -6.215 15.687 1.00 72.23 H new ATOM 0 HG22 ILE A 60 10.092 -6.522 13.947 1.00 72.23 H new ATOM 0 HG23 ILE A 60 8.789 -7.341 14.841 1.00 72.23 H new ATOM 0 HD11 ILE A 60 10.401 -8.241 18.716 1.00 74.35 H new ATOM 0 HD12 ILE A 60 11.673 -7.405 17.794 1.00 74.35 H new ATOM 0 HD13 ILE A 60 9.975 -6.901 17.626 1.00 74.35 H new ATOM 991 N GLN A 61 12.351 -8.278 12.590 1.00 0.32 N ATOM 992 CA GLN A 61 12.861 -7.626 11.376 1.00 41.30 C ATOM 993 C GLN A 61 12.706 -8.531 10.140 1.00 0.22 C ATOM 994 O GLN A 61 12.491 -8.030 9.048 1.00 23.45 O ATOM 995 CB GLN A 61 14.343 -7.209 11.563 1.00 34.05 C ATOM 996 CG GLN A 61 14.940 -6.429 10.369 1.00 53.25 C ATOM 997 CD GLN A 61 16.358 -5.914 10.615 1.00 20.31 C ATOM 998 OE1 GLN A 61 16.739 -5.593 11.741 1.00 42.41 O ATOM 999 NE2 GLN A 61 17.157 -5.832 9.567 1.00 41.13 N ATOM 0 H GLN A 61 13.068 -8.439 13.298 1.00 0.32 H new ATOM 0 HA GLN A 61 12.264 -6.730 11.207 1.00 41.30 H new ATOM 0 HB2 GLN A 61 14.425 -6.596 12.460 1.00 34.05 H new ATOM 0 HB3 GLN A 61 14.941 -8.104 11.733 1.00 34.05 H new ATOM 0 HG2 GLN A 61 14.945 -7.075 9.491 1.00 53.25 H new ATOM 0 HG3 GLN A 61 14.291 -5.584 10.139 1.00 53.25 H new ATOM 0 HE21 GLN A 61 16.818 -6.104 8.644 1.00 41.13 H new ATOM 0 HE22 GLN A 61 18.114 -5.497 9.680 1.00 41.13 H new ATOM 1008 N ASP A 62 12.785 -9.861 10.333 1.00 24.24 N ATOM 1009 CA ASP A 62 12.633 -10.837 9.235 1.00 71.04 C ATOM 1010 C ASP A 62 11.188 -10.842 8.724 1.00 52.14 C ATOM 1011 O ASP A 62 10.950 -10.678 7.518 1.00 52.04 O ATOM 1012 CB ASP A 62 13.030 -12.266 9.690 1.00 41.34 C ATOM 1013 CG ASP A 62 13.012 -13.278 8.526 1.00 34.04 C ATOM 1014 OD1 ASP A 62 14.036 -13.401 7.817 1.00 23.53 O ATOM 1015 OD2 ASP A 62 11.977 -13.946 8.306 1.00 21.51 O ATOM 0 H ASP A 62 12.954 -10.287 11.244 1.00 24.24 H new ATOM 0 HA ASP A 62 13.302 -10.535 8.429 1.00 71.04 H new ATOM 0 HB2 ASP A 62 14.027 -12.241 10.131 1.00 41.34 H new ATOM 0 HB3 ASP A 62 12.345 -12.600 10.469 1.00 41.34 H new ATOM 1020 N MET A 63 10.235 -11.032 9.666 1.00 50.43 N ATOM 1021 CA MET A 63 8.791 -11.080 9.356 1.00 3.35 C ATOM 1022 C MET A 63 8.325 -9.751 8.748 1.00 52.30 C ATOM 1023 O MET A 63 7.709 -9.740 7.678 1.00 3.00 O ATOM 1024 CB MET A 63 7.955 -11.432 10.620 1.00 72.55 C ATOM 1025 CG MET A 63 8.160 -12.860 11.135 1.00 31.22 C ATOM 1026 SD MET A 63 7.172 -13.219 12.611 1.00 44.00 S ATOM 1027 CE MET A 63 7.878 -12.107 13.837 1.00 23.51 C ATOM 0 H MET A 63 10.446 -11.155 10.656 1.00 50.43 H new ATOM 0 HA MET A 63 8.631 -11.869 8.621 1.00 3.35 H new ATOM 0 HB2 MET A 63 8.209 -10.732 11.416 1.00 72.55 H new ATOM 0 HB3 MET A 63 6.898 -11.288 10.394 1.00 72.55 H new ATOM 0 HG2 MET A 63 7.899 -13.567 10.347 1.00 31.22 H new ATOM 0 HG3 MET A 63 9.215 -13.012 11.363 1.00 31.22 H new ATOM 0 HE1 MET A 63 7.279 -12.142 14.747 1.00 23.51 H new ATOM 0 HE2 MET A 63 8.899 -12.415 14.062 1.00 23.51 H new ATOM 0 HE3 MET A 63 7.884 -11.090 13.445 1.00 23.51 H new ATOM 1037 N VAL A 64 8.684 -8.649 9.426 1.00 35.41 N ATOM 1038 CA VAL A 64 8.354 -7.274 9.018 1.00 54.03 C ATOM 1039 C VAL A 64 8.912 -6.960 7.621 1.00 62.44 C ATOM 1040 O VAL A 64 8.158 -6.526 6.755 1.00 15.14 O ATOM 1041 CB VAL A 64 8.865 -6.236 10.096 1.00 5.22 C ATOM 1042 CG1 VAL A 64 8.900 -4.788 9.557 1.00 71.24 C ATOM 1043 CG2 VAL A 64 7.997 -6.333 11.377 1.00 72.13 C ATOM 0 H VAL A 64 9.223 -8.690 10.291 1.00 35.41 H new ATOM 0 HA VAL A 64 7.269 -7.186 8.959 1.00 54.03 H new ATOM 0 HB VAL A 64 9.895 -6.497 10.340 1.00 5.22 H new ATOM 0 HG11 VAL A 64 9.258 -4.118 10.338 1.00 71.24 H new ATOM 0 HG12 VAL A 64 9.570 -4.735 8.699 1.00 71.24 H new ATOM 0 HG13 VAL A 64 7.897 -4.488 9.254 1.00 71.24 H new ATOM 0 HG21 VAL A 64 8.355 -5.615 12.115 1.00 72.13 H new ATOM 0 HG22 VAL A 64 6.958 -6.112 11.130 1.00 72.13 H new ATOM 0 HG23 VAL A 64 8.066 -7.340 11.788 1.00 72.13 H new ATOM 1053 N ALA A 65 10.219 -7.239 7.402 1.00 34.45 N ATOM 1054 CA ALA A 65 10.875 -7.020 6.091 1.00 75.34 C ATOM 1055 C ALA A 65 10.257 -7.913 5.011 1.00 72.43 C ATOM 1056 O ALA A 65 10.255 -7.545 3.843 1.00 32.35 O ATOM 1057 CB ALA A 65 12.384 -7.269 6.167 1.00 75.23 C ATOM 0 H ALA A 65 10.840 -7.617 8.117 1.00 34.45 H new ATOM 0 HA ALA A 65 10.712 -5.976 5.823 1.00 75.34 H new ATOM 0 HB1 ALA A 65 12.831 -7.099 5.187 1.00 75.23 H new ATOM 0 HB2 ALA A 65 12.829 -6.588 6.892 1.00 75.23 H new ATOM 0 HB3 ALA A 65 12.568 -8.298 6.476 1.00 75.23 H new ATOM 1063 N GLY A 66 9.731 -9.085 5.433 1.00 34.42 N ATOM 1064 CA GLY A 66 8.973 -9.971 4.547 1.00 40.34 C ATOM 1065 C GLY A 66 7.726 -9.280 4.021 1.00 14.51 C ATOM 1066 O GLY A 66 7.535 -9.174 2.806 1.00 4.32 O ATOM 0 H GLY A 66 9.823 -9.432 6.388 1.00 34.42 H new ATOM 0 HA2 GLY A 66 9.601 -10.280 3.712 1.00 40.34 H new ATOM 0 HA3 GLY A 66 8.692 -10.876 5.086 1.00 40.34 H new ATOM 1070 N TYR A 67 6.933 -8.726 4.960 1.00 15.13 N ATOM 1071 CA TYR A 67 5.698 -7.981 4.654 1.00 42.01 C ATOM 1072 C TYR A 67 6.000 -6.701 3.851 1.00 12.32 C ATOM 1073 O TYR A 67 5.189 -6.277 3.030 1.00 1.12 O ATOM 1074 CB TYR A 67 4.955 -7.592 5.958 1.00 2.44 C ATOM 1075 CG TYR A 67 4.620 -8.763 6.902 1.00 5.32 C ATOM 1076 CD1 TYR A 67 4.870 -8.671 8.278 1.00 15.01 C ATOM 1077 CD2 TYR A 67 4.072 -9.955 6.422 1.00 33.30 C ATOM 1078 CE1 TYR A 67 4.593 -9.722 9.128 1.00 75.30 C ATOM 1079 CE2 TYR A 67 3.788 -11.004 7.278 1.00 5.42 C ATOM 1080 CZ TYR A 67 4.055 -10.882 8.624 1.00 75.24 C ATOM 1081 OH TYR A 67 3.801 -11.937 9.468 1.00 21.42 O ATOM 0 H TYR A 67 7.134 -8.784 5.958 1.00 15.13 H new ATOM 0 HA TYR A 67 5.067 -8.637 4.054 1.00 42.01 H new ATOM 0 HB2 TYR A 67 5.565 -6.872 6.503 1.00 2.44 H new ATOM 0 HB3 TYR A 67 4.027 -7.086 5.690 1.00 2.44 H new ATOM 0 HD1 TYR A 67 5.287 -7.760 8.681 1.00 15.01 H new ATOM 0 HD2 TYR A 67 3.867 -10.059 5.367 1.00 33.30 H new ATOM 0 HE1 TYR A 67 4.798 -9.634 10.185 1.00 75.30 H new ATOM 0 HE2 TYR A 67 3.358 -11.916 6.892 1.00 5.42 H new ATOM 0 HH TYR A 67 3.421 -12.681 8.956 1.00 21.42 H new ATOM 1091 N ILE A 68 7.182 -6.111 4.118 1.00 61.12 N ATOM 1092 CA ILE A 68 7.675 -4.897 3.447 1.00 62.23 C ATOM 1093 C ILE A 68 7.975 -5.189 1.966 1.00 43.42 C ATOM 1094 O ILE A 68 7.511 -4.457 1.089 1.00 74.54 O ATOM 1095 CB ILE A 68 8.963 -4.325 4.174 1.00 61.14 C ATOM 1096 CG1 ILE A 68 8.581 -3.669 5.544 1.00 52.30 C ATOM 1097 CG2 ILE A 68 9.748 -3.335 3.277 1.00 33.51 C ATOM 1098 CD1 ILE A 68 9.754 -3.133 6.358 1.00 22.32 C ATOM 0 H ILE A 68 7.830 -6.473 4.818 1.00 61.12 H new ATOM 0 HA ILE A 68 6.895 -4.138 3.503 1.00 62.23 H new ATOM 0 HB ILE A 68 9.627 -5.167 4.370 1.00 61.14 H new ATOM 0 HG12 ILE A 68 7.887 -2.850 5.355 1.00 52.30 H new ATOM 0 HG13 ILE A 68 8.049 -4.406 6.146 1.00 52.30 H new ATOM 0 HG21 ILE A 68 10.622 -2.969 3.817 1.00 33.51 H new ATOM 0 HG22 ILE A 68 10.070 -3.844 2.368 1.00 33.51 H new ATOM 0 HG23 ILE A 68 9.106 -2.494 3.014 1.00 33.51 H new ATOM 0 HD11 ILE A 68 9.384 -2.700 7.287 1.00 22.32 H new ATOM 0 HD12 ILE A 68 10.441 -3.948 6.586 1.00 22.32 H new ATOM 0 HD13 ILE A 68 10.276 -2.368 5.783 1.00 22.32 H new ATOM 1110 N LYS A 69 8.738 -6.272 1.701 1.00 62.31 N ATOM 1111 CA LYS A 69 9.119 -6.650 0.327 1.00 63.54 C ATOM 1112 C LYS A 69 7.875 -7.008 -0.495 1.00 62.13 C ATOM 1113 O LYS A 69 7.748 -6.585 -1.660 1.00 22.11 O ATOM 1114 CB LYS A 69 10.137 -7.823 0.314 1.00 62.12 C ATOM 1115 CG LYS A 69 11.525 -7.539 0.960 1.00 0.52 C ATOM 1116 CD LYS A 69 12.335 -6.373 0.301 1.00 73.51 C ATOM 1117 CE LYS A 69 12.027 -4.985 0.896 1.00 52.12 C ATOM 1118 NZ LYS A 69 12.767 -3.894 0.209 1.00 51.10 N ATOM 0 H LYS A 69 9.100 -6.897 2.421 1.00 62.31 H new ATOM 0 HA LYS A 69 9.606 -5.788 -0.129 1.00 63.54 H new ATOM 0 HB2 LYS A 69 9.687 -8.672 0.829 1.00 62.12 H new ATOM 0 HB3 LYS A 69 10.297 -8.126 -0.721 1.00 62.12 H new ATOM 0 HG2 LYS A 69 11.378 -7.308 2.015 1.00 0.52 H new ATOM 0 HG3 LYS A 69 12.124 -8.449 0.914 1.00 0.52 H new ATOM 0 HD2 LYS A 69 13.400 -6.576 0.411 1.00 73.51 H new ATOM 0 HD3 LYS A 69 12.122 -6.355 -0.768 1.00 73.51 H new ATOM 0 HE2 LYS A 69 10.956 -4.793 0.827 1.00 52.12 H new ATOM 0 HE3 LYS A 69 12.283 -4.982 1.955 1.00 52.12 H new ATOM 0 HZ1 LYS A 69 12.525 -2.982 0.646 1.00 51.10 H new ATOM 0 HZ2 LYS A 69 13.790 -4.060 0.297 1.00 51.10 H new ATOM 0 HZ3 LYS A 69 12.504 -3.876 -0.797 1.00 51.10 H new ATOM 1132 N GLN A 70 6.949 -7.746 0.159 1.00 32.43 N ATOM 1133 CA GLN A 70 5.656 -8.120 -0.427 1.00 10.53 C ATOM 1134 C GLN A 70 4.869 -6.864 -0.803 1.00 21.51 C ATOM 1135 O GLN A 70 4.567 -6.658 -1.973 1.00 63.25 O ATOM 1136 CB GLN A 70 4.828 -8.999 0.555 1.00 53.33 C ATOM 1137 CG GLN A 70 5.440 -10.381 0.843 1.00 12.13 C ATOM 1138 CD GLN A 70 4.678 -11.162 1.919 1.00 11.21 C ATOM 1139 OE1 GLN A 70 3.466 -11.015 2.078 1.00 71.41 O ATOM 1140 NE2 GLN A 70 5.380 -11.997 2.666 1.00 1.22 N ATOM 0 H GLN A 70 7.084 -8.096 1.108 1.00 32.43 H new ATOM 0 HA GLN A 70 5.846 -8.706 -1.326 1.00 10.53 H new ATOM 0 HB2 GLN A 70 4.715 -8.462 1.497 1.00 53.33 H new ATOM 0 HB3 GLN A 70 3.828 -9.137 0.145 1.00 53.33 H new ATOM 0 HG2 GLN A 70 5.456 -10.964 -0.078 1.00 12.13 H new ATOM 0 HG3 GLN A 70 6.476 -10.255 1.159 1.00 12.13 H new ATOM 0 HE21 GLN A 70 6.383 -12.099 2.512 1.00 1.22 H new ATOM 0 HE22 GLN A 70 4.918 -12.539 3.396 1.00 1.22 H new ATOM 1149 N THR A 71 4.605 -5.993 0.193 1.00 34.33 N ATOM 1150 CA THR A 71 3.699 -4.854 0.011 1.00 54.53 C ATOM 1151 C THR A 71 4.242 -3.837 -1.000 1.00 32.11 C ATOM 1152 O THR A 71 3.477 -3.314 -1.784 1.00 52.31 O ATOM 1153 CB THR A 71 3.309 -4.136 1.350 1.00 23.42 C ATOM 1154 OG1 THR A 71 2.178 -3.291 1.100 1.00 12.10 O ATOM 1155 CG2 THR A 71 4.438 -3.290 1.977 1.00 52.22 C ATOM 0 H THR A 71 5.008 -6.062 1.127 1.00 34.33 H new ATOM 0 HA THR A 71 2.784 -5.290 -0.392 1.00 54.53 H new ATOM 0 HB THR A 71 3.088 -4.923 2.070 1.00 23.42 H new ATOM 0 HG1 THR A 71 1.362 -3.736 1.412 1.00 12.10 H new ATOM 0 HG21 THR A 71 4.080 -2.831 2.898 1.00 52.22 H new ATOM 0 HG22 THR A 71 5.292 -3.930 2.199 1.00 52.22 H new ATOM 0 HG23 THR A 71 4.740 -2.511 1.277 1.00 52.22 H new ATOM 1163 N LEU A 72 5.567 -3.589 -0.972 1.00 13.25 N ATOM 1164 CA LEU A 72 6.239 -2.682 -1.925 1.00 72.03 C ATOM 1165 C LEU A 72 6.228 -3.247 -3.358 1.00 62.14 C ATOM 1166 O LEU A 72 6.124 -2.480 -4.311 1.00 64.43 O ATOM 1167 CB LEU A 72 7.695 -2.388 -1.469 1.00 32.24 C ATOM 1168 CG LEU A 72 7.851 -1.455 -0.226 1.00 55.51 C ATOM 1169 CD1 LEU A 72 9.336 -1.300 0.174 1.00 44.40 C ATOM 1170 CD2 LEU A 72 7.197 -0.080 -0.486 1.00 55.43 C ATOM 0 H LEU A 72 6.199 -4.010 -0.291 1.00 13.25 H new ATOM 0 HA LEU A 72 5.678 -1.747 -1.935 1.00 72.03 H new ATOM 0 HB2 LEU A 72 8.184 -3.337 -1.249 1.00 32.24 H new ATOM 0 HB3 LEU A 72 8.232 -1.939 -2.304 1.00 32.24 H new ATOM 0 HG LEU A 72 7.332 -1.922 0.611 1.00 55.51 H new ATOM 0 HD11 LEU A 72 9.413 -0.645 1.042 1.00 44.40 H new ATOM 0 HD12 LEU A 72 9.751 -2.278 0.419 1.00 44.40 H new ATOM 0 HD13 LEU A 72 9.893 -0.868 -0.657 1.00 44.40 H new ATOM 0 HD21 LEU A 72 7.318 0.553 0.393 1.00 55.43 H new ATOM 0 HD22 LEU A 72 7.675 0.394 -1.343 1.00 55.43 H new ATOM 0 HD23 LEU A 72 6.135 -0.215 -0.692 1.00 55.43 H new ATOM 1182 N ASP A 73 6.347 -4.590 -3.495 1.00 4.43 N ATOM 1183 CA ASP A 73 6.272 -5.264 -4.813 1.00 14.34 C ATOM 1184 C ASP A 73 4.845 -5.151 -5.398 1.00 54.31 C ATOM 1185 O ASP A 73 4.661 -4.722 -6.546 1.00 74.10 O ATOM 1186 CB ASP A 73 6.690 -6.757 -4.698 1.00 62.33 C ATOM 1187 CG ASP A 73 6.692 -7.475 -6.061 1.00 75.40 C ATOM 1188 OD1 ASP A 73 5.655 -8.036 -6.463 1.00 74.34 O ATOM 1189 OD2 ASP A 73 7.738 -7.468 -6.749 1.00 52.02 O ATOM 0 H ASP A 73 6.495 -5.226 -2.711 1.00 4.43 H new ATOM 0 HA ASP A 73 6.968 -4.765 -5.488 1.00 14.34 H new ATOM 0 HB2 ASP A 73 7.685 -6.820 -4.256 1.00 62.33 H new ATOM 0 HB3 ASP A 73 6.008 -7.271 -4.021 1.00 62.33 H new ATOM 1194 N ASN A 74 3.846 -5.520 -4.571 1.00 24.52 N ATOM 1195 CA ASN A 74 2.422 -5.519 -4.954 1.00 70.32 C ATOM 1196 C ASN A 74 1.916 -4.093 -5.217 1.00 24.44 C ATOM 1197 O ASN A 74 1.102 -3.880 -6.115 1.00 32.33 O ATOM 1198 CB ASN A 74 1.539 -6.185 -3.859 1.00 61.22 C ATOM 1199 CG ASN A 74 1.769 -7.692 -3.695 1.00 41.10 C ATOM 1200 OD1 ASN A 74 1.292 -8.487 -4.493 1.00 71.21 O ATOM 1201 ND2 ASN A 74 2.391 -8.107 -2.612 1.00 14.41 N ATOM 0 H ASN A 74 4.007 -5.829 -3.612 1.00 24.52 H new ATOM 0 HA ASN A 74 2.342 -6.099 -5.873 1.00 70.32 H new ATOM 0 HB2 ASN A 74 1.731 -5.694 -2.905 1.00 61.22 H new ATOM 0 HB3 ASN A 74 0.490 -6.013 -4.100 1.00 61.22 H new ATOM 0 HD21 ASN A 74 2.481 -9.106 -2.427 1.00 14.41 H new ATOM 0 HD22 ASN A 74 2.783 -7.430 -1.958 1.00 14.41 H new ATOM 1208 N GLU A 75 2.417 -3.130 -4.417 1.00 0.11 N ATOM 1209 CA GLU A 75 2.067 -1.702 -4.536 1.00 3.23 C ATOM 1210 C GLU A 75 2.743 -1.082 -5.767 1.00 43.24 C ATOM 1211 O GLU A 75 2.171 -0.204 -6.389 1.00 55.52 O ATOM 1212 CB GLU A 75 2.472 -0.923 -3.259 1.00 2.43 C ATOM 1213 CG GLU A 75 2.135 0.579 -3.291 1.00 15.43 C ATOM 1214 CD GLU A 75 2.633 1.341 -2.062 1.00 24.34 C ATOM 1215 OE1 GLU A 75 1.841 1.525 -1.106 1.00 45.20 O ATOM 1216 OE2 GLU A 75 3.816 1.752 -2.053 1.00 13.12 O ATOM 0 H GLU A 75 3.080 -3.324 -3.666 1.00 0.11 H new ATOM 0 HA GLU A 75 0.986 -1.631 -4.654 1.00 3.23 H new ATOM 0 HB2 GLU A 75 1.975 -1.375 -2.401 1.00 2.43 H new ATOM 0 HB3 GLU A 75 3.545 -1.038 -3.104 1.00 2.43 H new ATOM 0 HG2 GLU A 75 2.572 1.023 -4.186 1.00 15.43 H new ATOM 0 HG3 GLU A 75 1.055 0.700 -3.371 1.00 15.43 H new ATOM 1223 N GLN A 76 3.966 -1.546 -6.092 1.00 64.11 N ATOM 1224 CA GLN A 76 4.692 -1.128 -7.311 1.00 11.21 C ATOM 1225 C GLN A 76 3.893 -1.532 -8.558 1.00 64.11 C ATOM 1226 O GLN A 76 3.693 -0.731 -9.483 1.00 71.41 O ATOM 1227 CB GLN A 76 6.091 -1.790 -7.358 1.00 64.41 C ATOM 1228 CG GLN A 76 6.921 -1.467 -8.617 1.00 53.45 C ATOM 1229 CD GLN A 76 8.206 -2.289 -8.746 1.00 15.12 C ATOM 1230 OE1 GLN A 76 9.211 -1.807 -9.266 1.00 22.20 O ATOM 1231 NE2 GLN A 76 8.177 -3.554 -8.323 1.00 44.00 N ATOM 0 H GLN A 76 4.478 -2.218 -5.521 1.00 64.11 H new ATOM 0 HA GLN A 76 4.812 -0.045 -7.290 1.00 11.21 H new ATOM 0 HB2 GLN A 76 6.655 -1.477 -6.479 1.00 64.41 H new ATOM 0 HB3 GLN A 76 5.968 -2.871 -7.289 1.00 64.41 H new ATOM 0 HG2 GLN A 76 6.304 -1.636 -9.499 1.00 53.45 H new ATOM 0 HG3 GLN A 76 7.179 -0.408 -8.607 1.00 53.45 H new ATOM 0 HE21 GLN A 76 7.331 -3.929 -7.895 1.00 44.00 H new ATOM 0 HE22 GLN A 76 9.001 -4.146 -8.428 1.00 44.00 H new ATOM 1240 N LEU A 77 3.433 -2.794 -8.548 1.00 14.02 N ATOM 1241 CA LEU A 77 2.603 -3.366 -9.613 1.00 3.44 C ATOM 1242 C LEU A 77 1.247 -2.635 -9.695 1.00 22.22 C ATOM 1243 O LEU A 77 0.789 -2.332 -10.789 1.00 11.44 O ATOM 1244 CB LEU A 77 2.423 -4.888 -9.381 1.00 13.45 C ATOM 1245 CG LEU A 77 3.687 -5.772 -9.632 1.00 52.41 C ATOM 1246 CD1 LEU A 77 3.460 -7.229 -9.168 1.00 64.54 C ATOM 1247 CD2 LEU A 77 4.104 -5.725 -11.119 1.00 40.01 C ATOM 0 H LEU A 77 3.631 -3.449 -7.792 1.00 14.02 H new ATOM 0 HA LEU A 77 3.103 -3.229 -10.572 1.00 3.44 H new ATOM 0 HB2 LEU A 77 2.094 -5.043 -8.353 1.00 13.45 H new ATOM 0 HB3 LEU A 77 1.621 -5.242 -10.029 1.00 13.45 H new ATOM 0 HG LEU A 77 4.502 -5.360 -9.036 1.00 52.41 H new ATOM 0 HD11 LEU A 77 4.359 -7.815 -9.358 1.00 64.54 H new ATOM 0 HD12 LEU A 77 3.237 -7.241 -8.101 1.00 64.54 H new ATOM 0 HD13 LEU A 77 2.623 -7.660 -9.718 1.00 64.54 H new ATOM 0 HD21 LEU A 77 4.986 -6.348 -11.269 1.00 40.01 H new ATOM 0 HD22 LEU A 77 3.287 -6.097 -11.738 1.00 40.01 H new ATOM 0 HD23 LEU A 77 4.333 -4.697 -11.400 1.00 40.01 H new ATOM 1259 N LEU A 78 0.640 -2.330 -8.524 1.00 62.42 N ATOM 1260 CA LEU A 78 -0.580 -1.484 -8.417 1.00 21.23 C ATOM 1261 C LEU A 78 -0.343 -0.106 -9.039 1.00 64.20 C ATOM 1262 O LEU A 78 -1.155 0.381 -9.813 1.00 44.41 O ATOM 1263 CB LEU A 78 -1.003 -1.299 -6.921 1.00 61.43 C ATOM 1264 CG LEU A 78 -1.847 -2.447 -6.306 1.00 0.13 C ATOM 1265 CD1 LEU A 78 -1.974 -2.296 -4.775 1.00 33.11 C ATOM 1266 CD2 LEU A 78 -3.233 -2.498 -6.986 1.00 4.04 C ATOM 0 H LEU A 78 0.981 -2.663 -7.622 1.00 62.42 H new ATOM 0 HA LEU A 78 -1.378 -1.994 -8.957 1.00 21.23 H new ATOM 0 HB2 LEU A 78 -0.101 -1.177 -6.321 1.00 61.43 H new ATOM 0 HB3 LEU A 78 -1.570 -0.372 -6.836 1.00 61.43 H new ATOM 0 HG LEU A 78 -1.335 -3.392 -6.488 1.00 0.13 H new ATOM 0 HD11 LEU A 78 -2.571 -3.116 -4.377 1.00 33.11 H new ATOM 0 HD12 LEU A 78 -0.982 -2.317 -4.324 1.00 33.11 H new ATOM 0 HD13 LEU A 78 -2.459 -1.348 -4.542 1.00 33.11 H new ATOM 0 HD21 LEU A 78 -3.822 -3.305 -6.551 1.00 4.04 H new ATOM 0 HD22 LEU A 78 -3.748 -1.550 -6.833 1.00 4.04 H new ATOM 0 HD23 LEU A 78 -3.108 -2.675 -8.054 1.00 4.04 H new ATOM 1278 N LYS A 79 0.803 0.471 -8.695 1.00 61.43 N ATOM 1279 CA LYS A 79 1.169 1.843 -9.036 1.00 74.14 C ATOM 1280 C LYS A 79 1.243 2.011 -10.558 1.00 20.30 C ATOM 1281 O LYS A 79 0.591 2.894 -11.112 1.00 60.43 O ATOM 1282 CB LYS A 79 2.523 2.167 -8.367 1.00 53.52 C ATOM 1283 CG LYS A 79 2.969 3.637 -8.407 1.00 42.04 C ATOM 1284 CD LYS A 79 4.379 3.793 -7.802 1.00 52.21 C ATOM 1285 CE LYS A 79 4.886 5.233 -7.782 1.00 54.14 C ATOM 1286 NZ LYS A 79 6.306 5.280 -7.339 1.00 70.03 N ATOM 0 H LYS A 79 1.522 -0.014 -8.158 1.00 61.43 H new ATOM 0 HA LYS A 79 0.413 2.538 -8.670 1.00 74.14 H new ATOM 0 HB2 LYS A 79 2.473 1.853 -7.324 1.00 53.52 H new ATOM 0 HB3 LYS A 79 3.294 1.563 -8.845 1.00 53.52 H new ATOM 0 HG2 LYS A 79 2.967 3.995 -9.436 1.00 42.04 H new ATOM 0 HG3 LYS A 79 2.260 4.253 -7.854 1.00 42.04 H new ATOM 0 HD2 LYS A 79 4.372 3.406 -6.783 1.00 52.21 H new ATOM 0 HD3 LYS A 79 5.078 3.180 -8.371 1.00 52.21 H new ATOM 0 HE2 LYS A 79 4.794 5.671 -8.776 1.00 54.14 H new ATOM 0 HE3 LYS A 79 4.270 5.832 -7.112 1.00 54.14 H new ATOM 0 HZ1 LYS A 79 6.451 6.106 -6.724 1.00 70.03 H new ATOM 0 HZ2 LYS A 79 6.534 4.412 -6.813 1.00 70.03 H new ATOM 0 HZ3 LYS A 79 6.927 5.354 -8.170 1.00 70.03 H new ATOM 1300 N GLY A 80 2.002 1.104 -11.216 1.00 34.34 N ATOM 1301 CA GLY A 80 2.170 1.120 -12.674 1.00 43.03 C ATOM 1302 C GLY A 80 0.899 0.732 -13.421 1.00 55.44 C ATOM 1303 O GLY A 80 0.580 1.341 -14.453 1.00 74.42 O ATOM 0 H GLY A 80 2.507 0.351 -10.750 1.00 34.34 H new ATOM 0 HA2 GLY A 80 2.480 2.117 -12.988 1.00 43.03 H new ATOM 0 HA3 GLY A 80 2.971 0.435 -12.950 1.00 43.03 H new ATOM 1307 N LEU A 81 0.173 -0.274 -12.884 1.00 50.41 N ATOM 1308 CA LEU A 81 -1.092 -0.782 -13.458 1.00 21.11 C ATOM 1309 C LEU A 81 -2.101 0.365 -13.548 1.00 11.52 C ATOM 1310 O LEU A 81 -2.508 0.762 -14.644 1.00 72.31 O ATOM 1311 CB LEU A 81 -1.621 -1.961 -12.568 1.00 21.45 C ATOM 1312 CG LEU A 81 -2.902 -2.761 -13.027 1.00 63.25 C ATOM 1313 CD1 LEU A 81 -2.936 -4.170 -12.386 1.00 73.34 C ATOM 1314 CD2 LEU A 81 -4.213 -2.012 -12.694 1.00 35.35 C ATOM 0 H LEU A 81 0.452 -0.760 -12.032 1.00 50.41 H new ATOM 0 HA LEU A 81 -0.933 -1.166 -14.466 1.00 21.11 H new ATOM 0 HB2 LEU A 81 -0.808 -2.679 -12.459 1.00 21.45 H new ATOM 0 HB3 LEU A 81 -1.825 -1.557 -11.576 1.00 21.45 H new ATOM 0 HG LEU A 81 -2.833 -2.857 -14.111 1.00 63.25 H new ATOM 0 HD11 LEU A 81 -3.829 -4.700 -12.719 1.00 73.34 H new ATOM 0 HD12 LEU A 81 -2.049 -4.728 -12.687 1.00 73.34 H new ATOM 0 HD13 LEU A 81 -2.954 -4.075 -11.300 1.00 73.34 H new ATOM 0 HD21 LEU A 81 -5.065 -2.603 -13.030 1.00 35.35 H new ATOM 0 HD22 LEU A 81 -4.280 -1.857 -11.617 1.00 35.35 H new ATOM 0 HD23 LEU A 81 -4.219 -1.047 -13.200 1.00 35.35 H new ATOM 1326 N LEU A 82 -2.431 0.914 -12.368 1.00 71.50 N ATOM 1327 CA LEU A 82 -3.404 1.994 -12.194 1.00 71.13 C ATOM 1328 C LEU A 82 -2.965 3.274 -12.908 1.00 64.33 C ATOM 1329 O LEU A 82 -3.807 4.001 -13.390 1.00 14.21 O ATOM 1330 CB LEU A 82 -3.608 2.254 -10.682 1.00 61.15 C ATOM 1331 CG LEU A 82 -4.342 1.114 -9.903 1.00 20.22 C ATOM 1332 CD1 LEU A 82 -4.045 1.171 -8.396 1.00 41.21 C ATOM 1333 CD2 LEU A 82 -5.855 1.183 -10.153 1.00 21.13 C ATOM 0 H LEU A 82 -2.015 0.608 -11.488 1.00 71.50 H new ATOM 0 HA LEU A 82 -4.348 1.687 -12.645 1.00 71.13 H new ATOM 0 HB2 LEU A 82 -2.633 2.416 -10.223 1.00 61.15 H new ATOM 0 HB3 LEU A 82 -4.175 3.177 -10.562 1.00 61.15 H new ATOM 0 HG LEU A 82 -3.963 0.163 -10.278 1.00 20.22 H new ATOM 0 HD11 LEU A 82 -4.573 0.363 -7.890 1.00 41.21 H new ATOM 0 HD12 LEU A 82 -2.973 1.062 -8.232 1.00 41.21 H new ATOM 0 HD13 LEU A 82 -4.378 2.129 -7.995 1.00 41.21 H new ATOM 0 HD21 LEU A 82 -6.351 0.383 -9.604 1.00 21.13 H new ATOM 0 HD22 LEU A 82 -6.236 2.146 -9.814 1.00 21.13 H new ATOM 0 HD23 LEU A 82 -6.053 1.069 -11.219 1.00 21.13 H new ATOM 1345 N GLN A 83 -1.645 3.528 -12.973 1.00 44.15 N ATOM 1346 CA GLN A 83 -1.089 4.696 -13.687 1.00 65.11 C ATOM 1347 C GLN A 83 -1.424 4.633 -15.184 1.00 72.45 C ATOM 1348 O GLN A 83 -1.941 5.599 -15.742 1.00 35.12 O ATOM 1349 CB GLN A 83 0.441 4.773 -13.480 1.00 3.51 C ATOM 1350 CG GLN A 83 1.146 5.925 -14.219 1.00 54.21 C ATOM 1351 CD GLN A 83 2.658 5.846 -14.075 1.00 61.24 C ATOM 1352 OE1 GLN A 83 3.250 6.456 -13.184 1.00 5.30 O ATOM 1353 NE2 GLN A 83 3.283 5.041 -14.917 1.00 30.52 N ATOM 0 H GLN A 83 -0.938 2.936 -12.537 1.00 44.15 H new ATOM 0 HA GLN A 83 -1.544 5.596 -13.275 1.00 65.11 H new ATOM 0 HB2 GLN A 83 0.643 4.870 -12.413 1.00 3.51 H new ATOM 0 HB3 GLN A 83 0.883 3.831 -13.804 1.00 3.51 H new ATOM 0 HG2 GLN A 83 0.879 5.896 -15.276 1.00 54.21 H new ATOM 0 HG3 GLN A 83 0.793 6.879 -13.827 1.00 54.21 H new ATOM 0 HE21 GLN A 83 2.757 4.553 -15.642 1.00 30.52 H new ATOM 0 HE22 GLN A 83 4.291 4.908 -14.842 1.00 30.52 H new ATOM 1362 N GLN A 84 -1.149 3.473 -15.815 1.00 53.02 N ATOM 1363 CA GLN A 84 -1.386 3.284 -17.265 1.00 62.41 C ATOM 1364 C GLN A 84 -2.883 3.103 -17.565 1.00 11.12 C ATOM 1365 O GLN A 84 -3.330 3.397 -18.678 1.00 33.42 O ATOM 1366 CB GLN A 84 -0.559 2.090 -17.813 1.00 10.34 C ATOM 1367 CG GLN A 84 0.964 2.211 -17.585 1.00 33.51 C ATOM 1368 CD GLN A 84 1.558 3.539 -18.073 1.00 33.14 C ATOM 1369 OE1 GLN A 84 1.627 4.511 -17.327 1.00 32.45 O ATOM 1370 NE2 GLN A 84 1.986 3.594 -19.323 1.00 3.12 N ATOM 0 H GLN A 84 -0.763 2.653 -15.346 1.00 53.02 H new ATOM 0 HA GLN A 84 -1.052 4.186 -17.777 1.00 62.41 H new ATOM 0 HB2 GLN A 84 -0.913 1.172 -17.343 1.00 10.34 H new ATOM 0 HB3 GLN A 84 -0.748 1.993 -18.882 1.00 10.34 H new ATOM 0 HG2 GLN A 84 1.173 2.099 -16.521 1.00 33.51 H new ATOM 0 HG3 GLN A 84 1.465 1.389 -18.097 1.00 33.51 H new ATOM 0 HE21 GLN A 84 1.917 2.771 -19.922 1.00 3.12 H new ATOM 0 HE22 GLN A 84 2.385 4.459 -19.688 1.00 3.12 H new ATOM 1379 N ARG A 85 -3.646 2.638 -16.556 1.00 53.01 N ATOM 1380 CA ARG A 85 -5.113 2.514 -16.658 1.00 40.30 C ATOM 1381 C ARG A 85 -5.759 3.905 -16.615 1.00 2.45 C ATOM 1382 O ARG A 85 -6.618 4.189 -17.423 1.00 22.04 O ATOM 1383 CB ARG A 85 -5.701 1.600 -15.537 1.00 10.14 C ATOM 1384 CG ARG A 85 -5.415 0.083 -15.694 1.00 65.10 C ATOM 1385 CD ARG A 85 -6.211 -0.601 -16.836 1.00 30.32 C ATOM 1386 NE ARG A 85 -5.847 -0.142 -18.196 1.00 41.52 N ATOM 1387 CZ ARG A 85 -4.731 -0.493 -18.866 1.00 24.13 C ATOM 1388 NH1 ARG A 85 -3.834 -1.319 -18.336 1.00 4.02 N ATOM 1389 NH2 ARG A 85 -4.529 -0.026 -20.083 1.00 62.53 N ATOM 0 H ARG A 85 -3.268 2.341 -15.657 1.00 53.01 H new ATOM 0 HA ARG A 85 -5.343 2.040 -17.612 1.00 40.30 H new ATOM 0 HB2 ARG A 85 -5.303 1.930 -14.577 1.00 10.14 H new ATOM 0 HB3 ARG A 85 -6.780 1.747 -15.502 1.00 10.14 H new ATOM 0 HG2 ARG A 85 -4.349 -0.057 -15.875 1.00 65.10 H new ATOM 0 HG3 ARG A 85 -5.647 -0.418 -14.754 1.00 65.10 H new ATOM 0 HD2 ARG A 85 -6.056 -1.678 -16.776 1.00 30.32 H new ATOM 0 HD3 ARG A 85 -7.275 -0.423 -16.678 1.00 30.32 H new ATOM 0 HE ARG A 85 -6.494 0.492 -18.665 1.00 41.52 H new ATOM 0 HH11 ARG A 85 -3.982 -1.702 -17.402 1.00 4.02 H new ATOM 0 HH12 ARG A 85 -2.997 -1.570 -18.863 1.00 4.02 H new ATOM 0 HH21 ARG A 85 -5.215 0.596 -20.511 1.00 62.53 H new ATOM 0 HH22 ARG A 85 -3.687 -0.287 -20.596 1.00 62.53 H new ATOM 1403 N LEU A 86 -5.304 4.764 -15.683 1.00 34.11 N ATOM 1404 CA LEU A 86 -5.817 6.147 -15.531 1.00 42.32 C ATOM 1405 C LEU A 86 -5.407 7.013 -16.725 1.00 74.22 C ATOM 1406 O LEU A 86 -6.174 7.858 -17.156 1.00 60.13 O ATOM 1407 CB LEU A 86 -5.303 6.802 -14.218 1.00 2.41 C ATOM 1408 CG LEU A 86 -5.883 6.223 -12.893 1.00 64.44 C ATOM 1409 CD1 LEU A 86 -5.144 6.810 -11.674 1.00 70.32 C ATOM 1410 CD2 LEU A 86 -7.411 6.450 -12.798 1.00 74.31 C ATOM 0 H LEU A 86 -4.573 4.524 -15.014 1.00 34.11 H new ATOM 0 HA LEU A 86 -6.904 6.084 -15.487 1.00 42.32 H new ATOM 0 HB2 LEU A 86 -4.218 6.706 -14.189 1.00 2.41 H new ATOM 0 HB3 LEU A 86 -5.528 7.868 -14.255 1.00 2.41 H new ATOM 0 HG LEU A 86 -5.720 5.145 -12.895 1.00 64.44 H new ATOM 0 HD11 LEU A 86 -5.564 6.393 -10.759 1.00 70.32 H new ATOM 0 HD12 LEU A 86 -4.085 6.559 -11.735 1.00 70.32 H new ATOM 0 HD13 LEU A 86 -5.260 7.894 -11.666 1.00 70.32 H new ATOM 0 HD21 LEU A 86 -7.783 6.034 -11.862 1.00 74.31 H new ATOM 0 HD22 LEU A 86 -7.623 7.519 -12.830 1.00 74.31 H new ATOM 0 HD23 LEU A 86 -7.905 5.957 -13.636 1.00 74.31 H new ATOM 1422 N ASP A 87 -4.177 6.785 -17.219 1.00 71.13 N ATOM 1423 CA ASP A 87 -3.625 7.464 -18.401 1.00 11.11 C ATOM 1424 C ASP A 87 -4.486 7.139 -19.640 1.00 24.40 C ATOM 1425 O ASP A 87 -4.967 8.043 -20.339 1.00 5.51 O ATOM 1426 CB ASP A 87 -2.145 7.033 -18.614 1.00 54.05 C ATOM 1427 CG ASP A 87 -1.473 7.758 -19.789 1.00 32.50 C ATOM 1428 OD1 ASP A 87 -1.324 7.159 -20.878 1.00 34.30 O ATOM 1429 OD2 ASP A 87 -1.087 8.936 -19.626 1.00 3.21 O ATOM 0 H ASP A 87 -3.531 6.115 -16.802 1.00 71.13 H new ATOM 0 HA ASP A 87 -3.645 8.543 -18.247 1.00 11.11 H new ATOM 0 HB2 ASP A 87 -1.580 7.229 -17.702 1.00 54.05 H new ATOM 0 HB3 ASP A 87 -2.107 5.958 -18.788 1.00 54.05 H new ATOM 1434 N GLU A 88 -4.730 5.831 -19.844 1.00 63.14 N ATOM 1435 CA GLU A 88 -5.602 5.325 -20.911 1.00 60.30 C ATOM 1436 C GLU A 88 -7.021 5.915 -20.798 1.00 15.24 C ATOM 1437 O GLU A 88 -7.489 6.557 -21.730 1.00 72.13 O ATOM 1438 CB GLU A 88 -5.664 3.785 -20.849 1.00 45.24 C ATOM 1439 CG GLU A 88 -6.616 3.150 -21.881 1.00 20.33 C ATOM 1440 CD GLU A 88 -6.791 1.649 -21.669 1.00 60.44 C ATOM 1441 OE1 GLU A 88 -7.305 1.263 -20.598 1.00 14.55 O ATOM 1442 OE2 GLU A 88 -6.409 0.849 -22.550 1.00 2.41 O ATOM 0 H GLU A 88 -4.323 5.094 -19.268 1.00 63.14 H new ATOM 0 HA GLU A 88 -5.184 5.634 -21.869 1.00 60.30 H new ATOM 0 HB2 GLU A 88 -4.661 3.386 -21.002 1.00 45.24 H new ATOM 0 HB3 GLU A 88 -5.977 3.485 -19.849 1.00 45.24 H new ATOM 0 HG2 GLU A 88 -7.589 3.638 -21.821 1.00 20.33 H new ATOM 0 HG3 GLU A 88 -6.230 3.329 -22.885 1.00 20.33 H new ATOM 1449 N LEU A 89 -7.660 5.711 -19.627 1.00 54.42 N ATOM 1450 CA LEU A 89 -9.036 6.171 -19.326 1.00 64.02 C ATOM 1451 C LEU A 89 -9.187 7.686 -19.545 1.00 61.02 C ATOM 1452 O LEU A 89 -10.149 8.122 -20.162 1.00 1.13 O ATOM 1453 CB LEU A 89 -9.447 5.798 -17.860 1.00 1.12 C ATOM 1454 CG LEU A 89 -9.699 4.277 -17.570 1.00 51.01 C ATOM 1455 CD1 LEU A 89 -9.952 4.027 -16.059 1.00 72.35 C ATOM 1456 CD2 LEU A 89 -10.858 3.731 -18.431 1.00 42.45 C ATOM 0 H LEU A 89 -7.228 5.213 -18.849 1.00 54.42 H new ATOM 0 HA LEU A 89 -9.703 5.658 -20.019 1.00 64.02 H new ATOM 0 HB2 LEU A 89 -8.665 6.149 -17.187 1.00 1.12 H new ATOM 0 HB3 LEU A 89 -10.354 6.348 -17.609 1.00 1.12 H new ATOM 0 HG LEU A 89 -8.796 3.732 -17.847 1.00 51.01 H new ATOM 0 HD11 LEU A 89 -10.123 2.964 -15.890 1.00 72.35 H new ATOM 0 HD12 LEU A 89 -9.083 4.350 -15.486 1.00 72.35 H new ATOM 0 HD13 LEU A 89 -10.828 4.591 -15.739 1.00 72.35 H new ATOM 0 HD21 LEU A 89 -11.010 2.675 -18.209 1.00 42.45 H new ATOM 0 HD22 LEU A 89 -11.770 4.284 -18.206 1.00 42.45 H new ATOM 0 HD23 LEU A 89 -10.613 3.848 -19.487 1.00 42.45 H new ATOM 1468 N SER A 90 -8.206 8.472 -19.075 1.00 14.12 N ATOM 1469 CA SER A 90 -8.239 9.942 -19.210 1.00 11.44 C ATOM 1470 C SER A 90 -8.009 10.366 -20.673 1.00 51.43 C ATOM 1471 O SER A 90 -8.416 11.455 -21.058 1.00 55.41 O ATOM 1472 CB SER A 90 -7.208 10.617 -18.278 1.00 35.43 C ATOM 1473 OG SER A 90 -5.881 10.251 -18.608 1.00 53.15 O ATOM 0 H SER A 90 -7.378 8.116 -18.597 1.00 14.12 H new ATOM 0 HA SER A 90 -9.231 10.277 -18.908 1.00 11.44 H new ATOM 0 HB2 SER A 90 -7.313 11.700 -18.344 1.00 35.43 H new ATOM 0 HB3 SER A 90 -7.415 10.339 -17.245 1.00 35.43 H new ATOM 0 HG SER A 90 -5.666 9.390 -18.193 1.00 53.15 H new ATOM 1479 N SER A 91 -7.348 9.497 -21.475 1.00 2.33 N ATOM 1480 CA SER A 91 -7.211 9.690 -22.932 1.00 23.53 C ATOM 1481 C SER A 91 -8.520 9.314 -23.679 1.00 23.14 C ATOM 1482 O SER A 91 -8.854 9.942 -24.686 1.00 73.40 O ATOM 1483 CB SER A 91 -6.022 8.856 -23.470 1.00 52.44 C ATOM 1484 OG SER A 91 -5.738 9.157 -24.828 1.00 64.45 O ATOM 0 H SER A 91 -6.899 8.649 -21.129 1.00 2.33 H new ATOM 0 HA SER A 91 -7.016 10.747 -23.116 1.00 23.53 H new ATOM 0 HB2 SER A 91 -5.138 9.050 -22.862 1.00 52.44 H new ATOM 0 HB3 SER A 91 -6.249 7.794 -23.373 1.00 52.44 H new ATOM 0 HG SER A 91 -4.982 8.613 -25.132 1.00 64.45 H new ATOM 1490 N LEU A 92 -9.242 8.277 -23.177 1.00 64.43 N ATOM 1491 CA LEU A 92 -10.502 7.785 -23.801 1.00 31.52 C ATOM 1492 C LEU A 92 -11.642 8.791 -23.565 1.00 72.42 C ATOM 1493 O LEU A 92 -12.419 9.111 -24.470 1.00 52.34 O ATOM 1494 CB LEU A 92 -10.922 6.386 -23.233 1.00 24.34 C ATOM 1495 CG LEU A 92 -9.853 5.243 -23.291 1.00 42.32 C ATOM 1496 CD1 LEU A 92 -10.433 3.892 -22.811 1.00 45.53 C ATOM 1497 CD2 LEU A 92 -9.205 5.128 -24.689 1.00 24.50 C ATOM 0 H LEU A 92 -8.972 7.763 -22.338 1.00 64.43 H new ATOM 0 HA LEU A 92 -10.316 7.680 -24.870 1.00 31.52 H new ATOM 0 HB2 LEU A 92 -11.220 6.519 -22.193 1.00 24.34 H new ATOM 0 HB3 LEU A 92 -11.805 6.051 -23.777 1.00 24.34 H new ATOM 0 HG LEU A 92 -9.058 5.515 -22.597 1.00 42.32 H new ATOM 0 HD11 LEU A 92 -9.661 3.124 -22.866 1.00 45.53 H new ATOM 0 HD12 LEU A 92 -10.776 3.989 -21.781 1.00 45.53 H new ATOM 0 HD13 LEU A 92 -11.272 3.609 -23.447 1.00 45.53 H new ATOM 0 HD21 LEU A 92 -8.470 4.323 -24.684 1.00 24.50 H new ATOM 0 HD22 LEU A 92 -9.975 4.912 -25.430 1.00 24.50 H new ATOM 0 HD23 LEU A 92 -8.713 6.067 -24.940 1.00 24.50 H new ATOM 1509 N ILE A 93 -11.691 9.279 -22.321 1.00 51.31 N ATOM 1510 CA ILE A 93 -12.739 10.171 -21.810 1.00 63.13 C ATOM 1511 C ILE A 93 -12.396 11.637 -22.150 1.00 3.51 C ATOM 1512 O ILE A 93 -13.266 12.396 -22.587 1.00 42.23 O ATOM 1513 CB ILE A 93 -12.903 9.934 -20.253 1.00 54.50 C ATOM 1514 CG1 ILE A 93 -13.295 8.431 -19.997 1.00 51.41 C ATOM 1515 CG2 ILE A 93 -13.929 10.911 -19.616 1.00 24.31 C ATOM 1516 CD1 ILE A 93 -13.240 7.969 -18.553 1.00 71.25 C ATOM 0 H ILE A 93 -10.983 9.058 -21.621 1.00 51.31 H new ATOM 0 HA ILE A 93 -13.694 9.950 -22.286 1.00 63.13 H new ATOM 0 HB ILE A 93 -11.950 10.142 -19.767 1.00 54.50 H new ATOM 0 HG12 ILE A 93 -14.306 8.270 -20.371 1.00 51.41 H new ATOM 0 HG13 ILE A 93 -12.632 7.797 -20.587 1.00 51.41 H new ATOM 0 HG21 ILE A 93 -14.008 10.710 -18.548 1.00 24.31 H new ATOM 0 HG22 ILE A 93 -13.597 11.938 -19.769 1.00 24.31 H new ATOM 0 HG23 ILE A 93 -14.903 10.771 -20.084 1.00 24.31 H new ATOM 0 HD11 ILE A 93 -13.529 6.920 -18.495 1.00 71.25 H new ATOM 0 HD12 ILE A 93 -12.226 8.087 -18.172 1.00 71.25 H new ATOM 0 HD13 ILE A 93 -13.925 8.568 -17.953 1.00 71.25 H new ATOM 1528 N GLY A 94 -11.112 12.011 -21.975 1.00 33.31 N ATOM 1529 CA GLY A 94 -10.608 13.340 -22.363 1.00 52.31 C ATOM 1530 C GLY A 94 -9.524 13.209 -23.430 1.00 42.05 C ATOM 1531 O GLY A 94 -9.825 12.796 -24.551 1.00 62.55 O ATOM 0 H GLY A 94 -10.402 11.404 -21.564 1.00 33.31 H new ATOM 0 HA2 GLY A 94 -11.428 13.950 -22.742 1.00 52.31 H new ATOM 0 HA3 GLY A 94 -10.206 13.853 -21.489 1.00 52.31 H new ATOM 1535 N GLN A 95 -8.263 13.521 -23.062 1.00 43.24 N ATOM 1536 CA GLN A 95 -7.077 13.366 -23.928 1.00 61.22 C ATOM 1537 C GLN A 95 -5.806 13.553 -23.078 1.00 70.02 C ATOM 1538 O GLN A 95 -5.754 14.439 -22.219 1.00 41.44 O ATOM 1539 CB GLN A 95 -7.095 14.382 -25.116 1.00 64.00 C ATOM 1540 CG GLN A 95 -5.830 14.394 -26.020 1.00 10.02 C ATOM 1541 CD GLN A 95 -5.521 13.061 -26.730 1.00 23.21 C ATOM 1542 OE1 GLN A 95 -6.411 12.281 -27.065 1.00 33.12 O ATOM 1543 NE2 GLN A 95 -4.249 12.789 -26.962 1.00 50.42 N ATOM 0 H GLN A 95 -8.038 13.894 -22.140 1.00 43.24 H new ATOM 0 HA GLN A 95 -7.089 12.365 -24.360 1.00 61.22 H new ATOM 0 HB2 GLN A 95 -7.962 14.166 -25.740 1.00 64.00 H new ATOM 0 HB3 GLN A 95 -7.237 15.383 -24.710 1.00 64.00 H new ATOM 0 HG2 GLN A 95 -5.949 15.171 -26.775 1.00 10.02 H new ATOM 0 HG3 GLN A 95 -4.970 14.671 -25.411 1.00 10.02 H new ATOM 0 HE21 GLN A 95 -3.526 13.449 -26.676 1.00 50.42 H new ATOM 0 HE22 GLN A 95 -3.990 11.919 -27.427 1.00 50.42 H new ATOM 1552 N VAL A 96 -4.797 12.698 -23.322 1.00 33.10 N ATOM 1553 CA VAL A 96 -3.460 12.808 -22.704 1.00 1.40 C ATOM 1554 C VAL A 96 -2.503 13.531 -23.668 1.00 24.12 C ATOM 1555 O VAL A 96 -2.383 13.156 -24.839 1.00 53.31 O ATOM 1556 CB VAL A 96 -2.891 11.386 -22.307 1.00 41.51 C ATOM 1557 CG1 VAL A 96 -1.382 11.427 -21.947 1.00 1.35 C ATOM 1558 CG2 VAL A 96 -3.711 10.802 -21.137 1.00 41.54 C ATOM 0 H VAL A 96 -4.885 11.905 -23.958 1.00 33.10 H new ATOM 0 HA VAL A 96 -3.548 13.390 -21.786 1.00 1.40 H new ATOM 0 HB VAL A 96 -2.987 10.740 -23.180 1.00 41.51 H new ATOM 0 HG11 VAL A 96 -1.044 10.425 -21.683 1.00 1.35 H new ATOM 0 HG12 VAL A 96 -0.813 11.788 -22.804 1.00 1.35 H new ATOM 0 HG13 VAL A 96 -1.228 12.097 -21.101 1.00 1.35 H new ATOM 0 HG21 VAL A 96 -3.315 9.823 -20.868 1.00 41.54 H new ATOM 0 HG22 VAL A 96 -3.645 11.469 -20.277 1.00 41.54 H new ATOM 0 HG23 VAL A 96 -4.754 10.701 -21.438 1.00 41.54 H new ATOM 1568 N LEU A 97 -1.836 14.573 -23.152 1.00 43.54 N ATOM 1569 CA LEU A 97 -0.875 15.391 -23.904 1.00 71.34 C ATOM 1570 C LEU A 97 0.539 14.774 -23.779 1.00 55.02 C ATOM 1571 O LEU A 97 0.675 13.567 -23.528 1.00 62.03 O ATOM 1572 CB LEU A 97 -0.903 16.867 -23.369 1.00 74.44 C ATOM 1573 CG LEU A 97 -2.226 17.692 -23.595 1.00 0.03 C ATOM 1574 CD1 LEU A 97 -3.395 17.199 -22.709 1.00 53.35 C ATOM 1575 CD2 LEU A 97 -1.973 19.207 -23.398 1.00 12.32 C ATOM 0 H LEU A 97 -1.951 14.876 -22.185 1.00 43.54 H new ATOM 0 HA LEU A 97 -1.148 15.408 -24.959 1.00 71.34 H new ATOM 0 HB2 LEU A 97 -0.700 16.842 -22.298 1.00 74.44 H new ATOM 0 HB3 LEU A 97 -0.082 17.411 -23.836 1.00 74.44 H new ATOM 0 HG LEU A 97 -2.530 17.525 -24.628 1.00 0.03 H new ATOM 0 HD11 LEU A 97 -4.281 17.803 -22.906 1.00 53.35 H new ATOM 0 HD12 LEU A 97 -3.609 16.155 -22.937 1.00 53.35 H new ATOM 0 HD13 LEU A 97 -3.119 17.291 -21.658 1.00 53.35 H new ATOM 0 HD21 LEU A 97 -2.901 19.755 -23.559 1.00 12.32 H new ATOM 0 HD22 LEU A 97 -1.617 19.388 -22.384 1.00 12.32 H new ATOM 0 HD23 LEU A 97 -1.223 19.546 -24.112 1.00 12.32 H new ATOM 1587 N PHE A 98 1.584 15.600 -24.003 1.00 74.24 N ATOM 1588 CA PHE A 98 2.993 15.243 -23.709 1.00 53.15 C ATOM 1589 C PHE A 98 3.154 14.793 -22.238 1.00 53.21 C ATOM 1590 O PHE A 98 3.970 13.920 -21.929 1.00 13.32 O ATOM 1591 CB PHE A 98 3.933 16.448 -24.028 1.00 51.14 C ATOM 1592 CG PHE A 98 3.634 17.735 -23.239 1.00 33.15 C ATOM 1593 CD1 PHE A 98 4.362 18.073 -22.094 1.00 50.04 C ATOM 1594 CD2 PHE A 98 2.616 18.602 -23.645 1.00 25.24 C ATOM 1595 CE1 PHE A 98 4.079 19.226 -21.383 1.00 11.21 C ATOM 1596 CE2 PHE A 98 2.336 19.755 -22.932 1.00 70.04 C ATOM 1597 CZ PHE A 98 3.067 20.067 -21.803 1.00 13.55 C ATOM 0 H PHE A 98 1.476 16.536 -24.394 1.00 74.24 H new ATOM 0 HA PHE A 98 3.276 14.405 -24.346 1.00 53.15 H new ATOM 0 HB2 PHE A 98 4.962 16.149 -23.829 1.00 51.14 H new ATOM 0 HB3 PHE A 98 3.866 16.669 -25.093 1.00 51.14 H new ATOM 0 HD1 PHE A 98 5.158 17.424 -21.759 1.00 50.04 H new ATOM 0 HD2 PHE A 98 2.039 18.369 -24.528 1.00 25.24 H new ATOM 0 HE1 PHE A 98 4.650 19.468 -20.499 1.00 11.21 H new ATOM 0 HE2 PHE A 98 1.544 20.412 -23.260 1.00 70.04 H new ATOM 0 HZ PHE A 98 2.848 20.968 -21.249 1.00 13.55 H new ATOM 1607 N GLN A 99 2.349 15.411 -21.355 1.00 15.12 N ATOM 1608 CA GLN A 99 2.258 15.078 -19.927 1.00 54.43 C ATOM 1609 C GLN A 99 0.808 14.641 -19.635 1.00 35.23 C ATOM 1610 O GLN A 99 -0.139 15.271 -20.131 1.00 2.13 O ATOM 1611 CB GLN A 99 2.679 16.313 -19.081 1.00 43.41 C ATOM 1612 CG GLN A 99 2.725 16.084 -17.555 1.00 35.43 C ATOM 1613 CD GLN A 99 3.220 17.315 -16.788 1.00 72.41 C ATOM 1614 OE1 GLN A 99 2.434 18.191 -16.423 1.00 42.35 O ATOM 1615 NE2 GLN A 99 4.522 17.398 -16.539 1.00 1.44 N ATOM 0 H GLN A 99 1.729 16.175 -21.624 1.00 15.12 H new ATOM 0 HA GLN A 99 2.930 14.262 -19.663 1.00 54.43 H new ATOM 0 HB2 GLN A 99 3.664 16.641 -19.412 1.00 43.41 H new ATOM 0 HB3 GLN A 99 1.986 17.128 -19.289 1.00 43.41 H new ATOM 0 HG2 GLN A 99 1.729 15.817 -17.201 1.00 35.43 H new ATOM 0 HG3 GLN A 99 3.378 15.239 -17.338 1.00 35.43 H new ATOM 0 HE21 GLN A 99 5.150 16.658 -16.853 1.00 1.44 H new ATOM 0 HE22 GLN A 99 4.894 18.202 -16.034 1.00 1.44 H new ATOM 1624 N GLY A 100 0.647 13.555 -18.853 1.00 21.32 N ATOM 1625 CA GLY A 100 -0.663 12.926 -18.627 1.00 31.53 C ATOM 1626 C GLY A 100 -1.404 13.481 -17.410 1.00 41.53 C ATOM 1627 O GLY A 100 -1.677 14.687 -17.384 1.00 61.33 O ATOM 0 H GLY A 100 1.416 13.095 -18.366 1.00 21.32 H new ATOM 0 HA2 GLY A 100 -1.282 13.065 -19.514 1.00 31.53 H new ATOM 0 HA3 GLY A 100 -0.525 11.852 -18.500 1.00 31.53 H new ATOM 1631 N PRO A 101 -1.770 12.623 -16.386 1.00 22.12 N ATOM 1632 CA PRO A 101 -2.503 13.065 -15.167 1.00 62.15 C ATOM 1633 C PRO A 101 -1.684 14.047 -14.290 1.00 73.11 C ATOM 1634 O PRO A 101 -1.012 13.651 -13.329 1.00 51.14 O ATOM 1635 CB PRO A 101 -2.834 11.728 -14.423 1.00 5.33 C ATOM 1636 CG PRO A 101 -2.625 10.640 -15.447 1.00 61.45 C ATOM 1637 CD PRO A 101 -1.523 11.151 -16.350 1.00 33.22 C ATOM 0 HA PRO A 101 -3.397 13.637 -15.413 1.00 62.15 H new ATOM 0 HB2 PRO A 101 -2.183 11.586 -13.560 1.00 5.33 H new ATOM 0 HB3 PRO A 101 -3.859 11.728 -14.052 1.00 5.33 H new ATOM 0 HG2 PRO A 101 -2.341 9.701 -14.972 1.00 61.45 H new ATOM 0 HG3 PRO A 101 -3.538 10.449 -16.010 1.00 61.45 H new ATOM 0 HD2 PRO A 101 -0.535 10.918 -15.952 1.00 33.22 H new ATOM 0 HD3 PRO A 101 -1.579 10.708 -17.345 1.00 33.22 H new ATOM 1645 N SER A 102 -1.705 15.323 -14.700 1.00 45.32 N ATOM 1646 CA SER A 102 -1.070 16.457 -13.993 1.00 71.33 C ATOM 1647 C SER A 102 -1.899 17.742 -14.237 1.00 45.01 C ATOM 1648 O SER A 102 -1.448 18.860 -13.955 1.00 10.23 O ATOM 1649 CB SER A 102 0.384 16.646 -14.485 1.00 24.02 C ATOM 1650 OG SER A 102 1.164 15.471 -14.304 1.00 10.13 O ATOM 0 H SER A 102 -2.177 15.609 -15.558 1.00 45.32 H new ATOM 0 HA SER A 102 -1.043 16.249 -12.923 1.00 71.33 H new ATOM 0 HB2 SER A 102 0.377 16.918 -15.541 1.00 24.02 H new ATOM 0 HB3 SER A 102 0.845 17.474 -13.946 1.00 24.02 H new ATOM 0 HG SER A 102 2.075 15.630 -14.628 1.00 10.13 H new ATOM 1656 N ALA A 103 -3.138 17.544 -14.732 1.00 34.24 N ATOM 1657 CA ALA A 103 -4.075 18.621 -15.090 1.00 71.30 C ATOM 1658 C ALA A 103 -5.512 18.071 -15.072 1.00 35.11 C ATOM 1659 O ALA A 103 -5.713 16.850 -14.968 1.00 51.30 O ATOM 1660 CB ALA A 103 -3.723 19.203 -16.475 1.00 14.43 C ATOM 0 H ALA A 103 -3.519 16.612 -14.896 1.00 34.24 H new ATOM 0 HA ALA A 103 -3.997 19.428 -14.362 1.00 71.30 H new ATOM 0 HB1 ALA A 103 -4.425 19.998 -16.725 1.00 14.43 H new ATOM 0 HB2 ALA A 103 -2.711 19.607 -16.453 1.00 14.43 H new ATOM 0 HB3 ALA A 103 -3.784 18.416 -17.227 1.00 14.43 H new ATOM 1666 N GLY A 104 -6.504 18.975 -15.173 1.00 34.11 N ATOM 1667 CA GLY A 104 -7.914 18.581 -15.230 1.00 33.32 C ATOM 1668 C GLY A 104 -8.298 18.025 -16.597 1.00 22.52 C ATOM 1669 O GLY A 104 -8.814 18.754 -17.443 1.00 34.45 O ATOM 0 H GLY A 104 -6.350 19.982 -15.216 1.00 34.11 H new ATOM 0 HA2 GLY A 104 -8.112 17.830 -14.465 1.00 33.32 H new ATOM 0 HA3 GLY A 104 -8.541 19.443 -15.000 1.00 33.32 H new ATOM 1673 N LEU A 105 -8.015 16.726 -16.809 1.00 44.12 N ATOM 1674 CA LEU A 105 -8.297 16.017 -18.079 1.00 55.53 C ATOM 1675 C LEU A 105 -9.790 15.641 -18.189 1.00 3.11 C ATOM 1676 O LEU A 105 -10.294 15.368 -19.288 1.00 74.40 O ATOM 1677 CB LEU A 105 -7.398 14.756 -18.191 1.00 71.33 C ATOM 1678 CG LEU A 105 -5.855 15.009 -18.084 1.00 64.41 C ATOM 1679 CD1 LEU A 105 -5.072 13.683 -18.144 1.00 42.02 C ATOM 1680 CD2 LEU A 105 -5.361 16.008 -19.160 1.00 70.45 C ATOM 0 H LEU A 105 -7.582 16.132 -16.102 1.00 44.12 H new ATOM 0 HA LEU A 105 -8.067 16.687 -18.908 1.00 55.53 H new ATOM 0 HB2 LEU A 105 -7.688 14.055 -17.408 1.00 71.33 H new ATOM 0 HB3 LEU A 105 -7.603 14.270 -19.145 1.00 71.33 H new ATOM 0 HG LEU A 105 -5.664 15.466 -17.113 1.00 64.41 H new ATOM 0 HD11 LEU A 105 -4.004 13.887 -18.068 1.00 42.02 H new ATOM 0 HD12 LEU A 105 -5.379 13.042 -17.318 1.00 42.02 H new ATOM 0 HD13 LEU A 105 -5.279 13.181 -19.089 1.00 42.02 H new ATOM 0 HD21 LEU A 105 -4.287 16.157 -19.052 1.00 70.45 H new ATOM 0 HD22 LEU A 105 -5.575 15.610 -20.152 1.00 70.45 H new ATOM 0 HD23 LEU A 105 -5.874 16.962 -19.034 1.00 70.45 H new ATOM 1692 N VAL A 106 -10.471 15.627 -17.034 1.00 11.12 N ATOM 1693 CA VAL A 106 -11.930 15.477 -16.928 1.00 32.32 C ATOM 1694 C VAL A 106 -12.437 16.403 -15.773 1.00 22.04 C ATOM 1695 O VAL A 106 -12.655 15.961 -14.637 1.00 52.12 O ATOM 1696 CB VAL A 106 -12.351 13.947 -16.765 1.00 73.13 C ATOM 1697 CG1 VAL A 106 -11.574 13.234 -15.627 1.00 55.35 C ATOM 1698 CG2 VAL A 106 -13.887 13.788 -16.599 1.00 4.32 C ATOM 0 H VAL A 106 -10.013 15.722 -16.128 1.00 11.12 H new ATOM 0 HA VAL A 106 -12.415 15.796 -17.850 1.00 32.32 H new ATOM 0 HB VAL A 106 -12.069 13.448 -17.692 1.00 73.13 H new ATOM 0 HG11 VAL A 106 -11.899 12.196 -15.559 1.00 55.35 H new ATOM 0 HG12 VAL A 106 -10.506 13.267 -15.840 1.00 55.35 H new ATOM 0 HG13 VAL A 106 -11.771 13.738 -14.681 1.00 55.35 H new ATOM 0 HG21 VAL A 106 -14.134 12.732 -16.491 1.00 4.32 H new ATOM 0 HG22 VAL A 106 -14.215 14.330 -15.712 1.00 4.32 H new ATOM 0 HG23 VAL A 106 -14.391 14.190 -17.477 1.00 4.32 H new ATOM 1708 N PRO A 107 -12.535 17.756 -16.041 1.00 33.43 N ATOM 1709 CA PRO A 107 -12.930 18.758 -15.028 1.00 1.24 C ATOM 1710 C PRO A 107 -14.459 19.034 -15.010 1.00 0.53 C ATOM 1711 O PRO A 107 -15.079 19.299 -16.051 1.00 20.12 O ATOM 1712 CB PRO A 107 -12.114 19.992 -15.478 1.00 11.01 C ATOM 1713 CG PRO A 107 -12.060 19.901 -16.986 1.00 23.03 C ATOM 1714 CD PRO A 107 -12.255 18.427 -17.349 1.00 34.52 C ATOM 0 HA PRO A 107 -12.729 18.442 -14.004 1.00 1.24 H new ATOM 0 HB2 PRO A 107 -12.590 20.918 -15.156 1.00 11.01 H new ATOM 0 HB3 PRO A 107 -11.113 19.981 -15.046 1.00 11.01 H new ATOM 0 HG2 PRO A 107 -12.838 20.516 -17.438 1.00 23.03 H new ATOM 0 HG3 PRO A 107 -11.105 20.268 -17.361 1.00 23.03 H new ATOM 0 HD2 PRO A 107 -13.081 18.296 -18.048 1.00 34.52 H new ATOM 0 HD3 PRO A 107 -11.366 18.014 -17.825 1.00 34.52 H new ATOM 1722 N ARG A 108 -15.059 18.943 -13.817 1.00 31.41 N ATOM 1723 CA ARG A 108 -16.501 19.210 -13.596 1.00 13.33 C ATOM 1724 C ARG A 108 -16.707 20.063 -12.329 1.00 64.32 C ATOM 1725 O ARG A 108 -17.572 20.949 -12.297 1.00 4.54 O ATOM 1726 CB ARG A 108 -17.295 17.872 -13.454 1.00 14.51 C ATOM 1727 CG ARG A 108 -17.367 17.015 -14.737 1.00 20.33 C ATOM 1728 CD ARG A 108 -18.273 15.777 -14.589 1.00 45.21 C ATOM 1729 NE ARG A 108 -18.491 15.113 -15.884 1.00 73.53 N ATOM 1730 CZ ARG A 108 -19.642 14.558 -16.292 1.00 40.05 C ATOM 1731 NH1 ARG A 108 -20.717 14.534 -15.511 1.00 13.44 N ATOM 1732 NH2 ARG A 108 -19.709 14.060 -17.511 1.00 71.25 N ATOM 0 H ARG A 108 -14.561 18.681 -12.966 1.00 31.41 H new ATOM 0 HA ARG A 108 -16.875 19.757 -14.461 1.00 13.33 H new ATOM 0 HB2 ARG A 108 -16.837 17.278 -12.664 1.00 14.51 H new ATOM 0 HB3 ARG A 108 -18.310 18.102 -13.132 1.00 14.51 H new ATOM 0 HG2 ARG A 108 -17.735 17.631 -15.558 1.00 20.33 H new ATOM 0 HG3 ARG A 108 -16.362 16.692 -15.007 1.00 20.33 H new ATOM 0 HD2 ARG A 108 -17.820 15.074 -13.890 1.00 45.21 H new ATOM 0 HD3 ARG A 108 -19.232 16.075 -14.165 1.00 45.21 H new ATOM 0 HE ARG A 108 -17.700 15.071 -16.526 1.00 73.53 H new ATOM 0 HH11 ARG A 108 -20.679 14.944 -14.578 1.00 13.44 H new ATOM 0 HH12 ARG A 108 -21.580 14.106 -15.845 1.00 13.44 H new ATOM 0 HH21 ARG A 108 -18.895 14.101 -18.124 1.00 71.25 H new ATOM 0 HH22 ARG A 108 -20.575 13.634 -17.841 1.00 71.25 H new ATOM 1746 N GLY A 109 -15.923 19.747 -11.277 1.00 60.43 N ATOM 1747 CA GLY A 109 -16.122 20.306 -9.933 1.00 62.12 C ATOM 1748 C GLY A 109 -16.959 19.375 -9.060 1.00 64.24 C ATOM 1749 O GLY A 109 -17.034 19.560 -7.841 1.00 22.22 O ATOM 0 H GLY A 109 -15.138 19.099 -11.340 1.00 60.43 H new ATOM 0 HA2 GLY A 109 -15.154 20.477 -9.462 1.00 62.12 H new ATOM 0 HA3 GLY A 109 -16.614 21.275 -10.010 1.00 62.12 H new ATOM 1753 N SER A 110 -17.563 18.354 -9.712 1.00 50.50 N ATOM 1754 CA SER A 110 -18.435 17.346 -9.097 1.00 50.24 C ATOM 1755 C SER A 110 -18.804 16.310 -10.186 1.00 25.14 C ATOM 1756 O SER A 110 -19.598 16.619 -11.091 1.00 30.52 O ATOM 1757 CB SER A 110 -19.713 17.993 -8.500 1.00 31.21 C ATOM 1758 OG SER A 110 -20.510 17.039 -7.803 1.00 71.45 O ATOM 0 H SER A 110 -17.448 18.211 -10.715 1.00 50.50 H new ATOM 0 HA SER A 110 -17.912 16.861 -8.273 1.00 50.24 H new ATOM 0 HB2 SER A 110 -19.430 18.797 -7.821 1.00 31.21 H new ATOM 0 HB3 SER A 110 -20.301 18.443 -9.300 1.00 31.21 H new ATOM 0 HG SER A 110 -21.305 17.481 -7.439 1.00 71.45 H new ATOM 1764 N GLY A 111 -18.196 15.106 -10.130 1.00 72.11 N ATOM 1765 CA GLY A 111 -18.462 14.047 -11.116 1.00 34.11 C ATOM 1766 C GLY A 111 -17.978 12.674 -10.663 1.00 52.21 C ATOM 1767 O GLY A 111 -17.081 12.580 -9.822 1.00 62.42 O ATOM 0 H GLY A 111 -17.519 14.847 -9.412 1.00 72.11 H new ATOM 0 HA2 GLY A 111 -19.533 14.002 -11.312 1.00 34.11 H new ATOM 0 HA3 GLY A 111 -17.976 14.305 -12.057 1.00 34.11 H new ATOM 1771 N GLY A 112 -18.569 11.607 -11.247 1.00 44.31 N ATOM 1772 CA GLY A 112 -18.237 10.217 -10.894 1.00 21.13 C ATOM 1773 C GLY A 112 -16.881 9.774 -11.436 1.00 15.24 C ATOM 1774 O GLY A 112 -16.070 9.199 -10.700 1.00 10.50 O ATOM 0 H GLY A 112 -19.284 11.689 -11.970 1.00 44.31 H new ATOM 0 HA2 GLY A 112 -18.241 10.112 -9.809 1.00 21.13 H new ATOM 0 HA3 GLY A 112 -19.011 9.554 -11.281 1.00 21.13 H new ATOM 1778 N ILE A 113 -16.645 10.039 -12.739 1.00 41.04 N ATOM 1779 CA ILE A 113 -15.358 9.756 -13.418 1.00 23.04 C ATOM 1780 C ILE A 113 -14.246 10.654 -12.850 1.00 72.44 C ATOM 1781 O ILE A 113 -13.126 10.192 -12.597 1.00 51.12 O ATOM 1782 CB ILE A 113 -15.466 9.976 -14.974 1.00 64.05 C ATOM 1783 CG1 ILE A 113 -16.493 8.976 -15.590 1.00 63.30 C ATOM 1784 CG2 ILE A 113 -14.079 9.861 -15.663 1.00 51.54 C ATOM 1785 CD1 ILE A 113 -16.680 9.102 -17.090 1.00 73.03 C ATOM 0 H ILE A 113 -17.344 10.457 -13.354 1.00 41.04 H new ATOM 0 HA ILE A 113 -15.113 8.710 -13.234 1.00 23.04 H new ATOM 0 HB ILE A 113 -15.826 10.990 -15.151 1.00 64.05 H new ATOM 0 HG12 ILE A 113 -16.171 7.960 -15.362 1.00 63.30 H new ATOM 0 HG13 ILE A 113 -17.458 9.122 -15.104 1.00 63.30 H new ATOM 0 HG21 ILE A 113 -14.191 10.018 -16.736 1.00 51.54 H new ATOM 0 HG22 ILE A 113 -13.406 10.615 -15.254 1.00 51.54 H new ATOM 0 HG23 ILE A 113 -13.665 8.869 -15.483 1.00 51.54 H new ATOM 0 HD11 ILE A 113 -17.411 8.368 -17.428 1.00 73.03 H new ATOM 0 HD12 ILE A 113 -17.035 10.104 -17.330 1.00 73.03 H new ATOM 0 HD13 ILE A 113 -15.729 8.924 -17.591 1.00 73.03 H new ATOM 1797 N GLU A 114 -14.582 11.947 -12.672 1.00 61.34 N ATOM 1798 CA GLU A 114 -13.680 12.928 -12.055 1.00 51.45 C ATOM 1799 C GLU A 114 -13.287 12.473 -10.639 1.00 24.30 C ATOM 1800 O GLU A 114 -12.122 12.564 -10.248 1.00 64.45 O ATOM 1801 CB GLU A 114 -14.347 14.316 -12.004 1.00 60.40 C ATOM 1802 CG GLU A 114 -13.525 15.369 -11.229 1.00 13.10 C ATOM 1803 CD GLU A 114 -14.200 16.733 -11.158 1.00 23.55 C ATOM 1804 OE1 GLU A 114 -13.569 17.749 -11.503 1.00 63.51 O ATOM 1805 OE2 GLU A 114 -15.371 16.790 -10.748 1.00 61.34 O ATOM 0 H GLU A 114 -15.483 12.335 -12.952 1.00 61.34 H new ATOM 0 HA GLU A 114 -12.778 13.000 -12.663 1.00 51.45 H new ATOM 0 HB2 GLU A 114 -14.508 14.670 -13.022 1.00 60.40 H new ATOM 0 HB3 GLU A 114 -15.329 14.221 -11.541 1.00 60.40 H new ATOM 0 HG2 GLU A 114 -13.348 15.007 -10.216 1.00 13.10 H new ATOM 0 HG3 GLU A 114 -12.550 15.479 -11.704 1.00 13.10 H new ATOM 1812 N GLY A 115 -14.279 11.943 -9.903 1.00 52.44 N ATOM 1813 CA GLY A 115 -14.060 11.421 -8.562 1.00 53.03 C ATOM 1814 C GLY A 115 -13.152 10.199 -8.556 1.00 51.02 C ATOM 1815 O GLY A 115 -12.265 10.107 -7.718 1.00 44.43 O ATOM 0 H GLY A 115 -15.244 11.869 -10.226 1.00 52.44 H new ATOM 0 HA2 GLY A 115 -13.620 12.200 -7.939 1.00 53.03 H new ATOM 0 HA3 GLY A 115 -15.019 11.160 -8.116 1.00 53.03 H new ATOM 1819 N MET A1001 -13.363 9.293 -9.536 1.00 64.53 N ATOM 1820 CA MET A1001 -12.548 8.069 -9.721 1.00 20.45 C ATOM 1821 C MET A1001 -11.065 8.425 -9.931 1.00 64.42 C ATOM 1822 O MET A1001 -10.178 7.880 -9.261 1.00 3.34 O ATOM 1823 CB MET A1001 -13.059 7.265 -10.956 1.00 44.33 C ATOM 1824 CG MET A1001 -12.313 5.937 -11.231 1.00 71.42 C ATOM 1825 SD MET A1001 -12.448 5.382 -12.951 1.00 35.32 S ATOM 1826 CE MET A1001 -14.218 5.366 -13.233 1.00 54.22 C ATOM 0 H MET A1001 -14.108 9.390 -10.226 1.00 64.53 H new ATOM 0 HA MET A1001 -12.644 7.462 -8.821 1.00 20.45 H new ATOM 0 HB2 MET A1001 -14.117 7.046 -10.815 1.00 44.33 H new ATOM 0 HB3 MET A1001 -12.980 7.898 -11.840 1.00 44.33 H new ATOM 0 HG2 MET A1001 -11.260 6.061 -10.978 1.00 71.42 H new ATOM 0 HG3 MET A1001 -12.710 5.163 -10.574 1.00 71.42 H new ATOM 0 HE1 MET A1001 -14.427 4.925 -14.208 1.00 54.22 H new ATOM 0 HE2 MET A1001 -14.705 4.776 -12.456 1.00 54.22 H new ATOM 0 HE3 MET A1001 -14.600 6.387 -13.207 1.00 54.22 H new ATOM 1836 N THR A1002 -10.829 9.370 -10.860 1.00 62.34 N ATOM 1837 CA THR A1002 -9.484 9.787 -11.264 1.00 72.25 C ATOM 1838 C THR A1002 -8.770 10.528 -10.123 1.00 54.14 C ATOM 1839 O THR A1002 -7.623 10.220 -9.828 1.00 14.42 O ATOM 1840 CB THR A1002 -9.523 10.669 -12.557 1.00 12.42 C ATOM 1841 OG1 THR A1002 -10.426 11.769 -12.377 1.00 55.32 O ATOM 1842 CG2 THR A1002 -9.951 9.859 -13.795 1.00 31.10 C ATOM 0 H THR A1002 -11.574 9.865 -11.351 1.00 62.34 H new ATOM 0 HA THR A1002 -8.917 8.885 -11.492 1.00 72.25 H new ATOM 0 HB THR A1002 -8.512 11.039 -12.726 1.00 12.42 H new ATOM 0 HG1 THR A1002 -10.926 11.649 -11.543 1.00 55.32 H new ATOM 0 HG21 THR A1002 -9.964 10.510 -14.669 1.00 31.10 H new ATOM 0 HG22 THR A1002 -9.245 9.045 -13.959 1.00 31.10 H new ATOM 0 HG23 THR A1002 -10.947 9.447 -13.634 1.00 31.10 H new ATOM 1850 N THR A1003 -9.479 11.471 -9.465 1.00 62.14 N ATOM 1851 CA THR A1003 -8.934 12.245 -8.329 1.00 13.50 C ATOM 1852 C THR A1003 -8.572 11.325 -7.143 1.00 53.55 C ATOM 1853 O THR A1003 -7.501 11.488 -6.535 1.00 43.20 O ATOM 1854 CB THR A1003 -9.935 13.364 -7.880 1.00 11.54 C ATOM 1855 OG1 THR A1003 -10.128 14.284 -8.967 1.00 33.25 O ATOM 1856 CG2 THR A1003 -9.452 14.152 -6.645 1.00 61.33 C ATOM 0 H THR A1003 -10.440 11.716 -9.705 1.00 62.14 H new ATOM 0 HA THR A1003 -8.017 12.726 -8.669 1.00 13.50 H new ATOM 0 HB THR A1003 -10.865 12.867 -7.604 1.00 11.54 H new ATOM 0 HG1 THR A1003 -10.795 13.922 -9.587 1.00 33.25 H new ATOM 0 HG21 THR A1003 -10.190 14.911 -6.386 1.00 61.33 H new ATOM 0 HG22 THR A1003 -9.324 13.469 -5.805 1.00 61.33 H new ATOM 0 HG23 THR A1003 -8.500 14.633 -6.870 1.00 61.33 H new ATOM 1864 N ARG A1004 -9.461 10.340 -6.857 1.00 24.14 N ATOM 1865 CA ARG A1004 -9.226 9.319 -5.814 1.00 53.12 C ATOM 1866 C ARG A1004 -7.930 8.558 -6.106 1.00 12.02 C ATOM 1867 O ARG A1004 -7.018 8.551 -5.288 1.00 71.55 O ATOM 1868 CB ARG A1004 -10.397 8.289 -5.708 1.00 61.22 C ATOM 1869 CG ARG A1004 -11.643 8.771 -4.938 1.00 0.11 C ATOM 1870 CD ARG A1004 -12.684 7.644 -4.759 1.00 65.52 C ATOM 1871 NE ARG A1004 -13.866 8.090 -3.999 1.00 42.13 N ATOM 1872 CZ ARG A1004 -14.119 7.804 -2.712 1.00 11.52 C ATOM 1873 NH1 ARG A1004 -13.286 7.054 -1.996 1.00 74.14 N ATOM 1874 NH2 ARG A1004 -15.218 8.280 -2.145 1.00 72.23 N ATOM 0 H ARG A1004 -10.353 10.235 -7.341 1.00 24.14 H new ATOM 0 HA ARG A1004 -9.155 9.852 -4.866 1.00 53.12 H new ATOM 0 HB2 ARG A1004 -10.702 8.008 -6.716 1.00 61.22 H new ATOM 0 HB3 ARG A1004 -10.021 7.387 -5.226 1.00 61.22 H new ATOM 0 HG2 ARG A1004 -11.342 9.146 -3.960 1.00 0.11 H new ATOM 0 HG3 ARG A1004 -12.099 9.605 -5.472 1.00 0.11 H new ATOM 0 HD2 ARG A1004 -12.999 7.284 -5.739 1.00 65.52 H new ATOM 0 HD3 ARG A1004 -12.220 6.802 -4.245 1.00 65.52 H new ATOM 0 HE ARG A1004 -14.549 8.664 -4.493 1.00 42.13 H new ATOM 0 HH11 ARG A1004 -12.437 6.685 -2.424 1.00 74.14 H new ATOM 0 HH12 ARG A1004 -13.496 6.848 -1.019 1.00 74.14 H new ATOM 0 HH21 ARG A1004 -15.862 8.857 -2.686 1.00 72.23 H new ATOM 0 HH22 ARG A1004 -15.420 8.069 -1.168 1.00 72.23 H new ATOM 1888 N LEU A1005 -7.865 7.966 -7.313 1.00 71.20 N ATOM 1889 CA LEU A1005 -6.795 7.038 -7.683 1.00 33.03 C ATOM 1890 C LEU A1005 -5.454 7.746 -7.964 1.00 43.55 C ATOM 1891 O LEU A1005 -4.420 7.119 -7.823 1.00 62.14 O ATOM 1892 CB LEU A1005 -7.224 6.128 -8.864 1.00 43.30 C ATOM 1893 CG LEU A1005 -8.338 5.073 -8.555 1.00 1.41 C ATOM 1894 CD1 LEU A1005 -8.637 4.210 -9.805 1.00 5.34 C ATOM 1895 CD2 LEU A1005 -7.965 4.186 -7.337 1.00 51.43 C ATOM 0 H LEU A1005 -8.552 8.120 -8.051 1.00 71.20 H new ATOM 0 HA LEU A1005 -6.622 6.402 -6.815 1.00 33.03 H new ATOM 0 HB2 LEU A1005 -7.571 6.764 -9.678 1.00 43.30 H new ATOM 0 HB3 LEU A1005 -6.343 5.599 -9.227 1.00 43.30 H new ATOM 0 HG LEU A1005 -9.245 5.617 -8.292 1.00 1.41 H new ATOM 0 HD11 LEU A1005 -9.414 3.483 -9.568 1.00 5.34 H new ATOM 0 HD12 LEU A1005 -8.976 4.852 -10.618 1.00 5.34 H new ATOM 0 HD13 LEU A1005 -7.731 3.686 -10.111 1.00 5.34 H new ATOM 0 HD21 LEU A1005 -8.763 3.466 -7.153 1.00 51.43 H new ATOM 0 HD22 LEU A1005 -7.037 3.654 -7.545 1.00 51.43 H new ATOM 0 HD23 LEU A1005 -7.834 4.814 -6.456 1.00 51.43 H new ATOM 1907 N THR A1006 -5.466 9.038 -8.337 1.00 40.20 N ATOM 1908 CA THR A1006 -4.215 9.824 -8.499 1.00 1.41 C ATOM 1909 C THR A1006 -3.668 10.240 -7.116 1.00 10.11 C ATOM 1910 O THR A1006 -2.451 10.170 -6.874 1.00 12.45 O ATOM 1911 CB THR A1006 -4.422 11.082 -9.413 1.00 64.31 C ATOM 1912 OG1 THR A1006 -5.526 11.866 -8.922 1.00 44.12 O ATOM 1913 CG2 THR A1006 -4.676 10.686 -10.888 1.00 20.54 C ATOM 0 H THR A1006 -6.318 9.563 -8.532 1.00 40.20 H new ATOM 0 HA THR A1006 -3.485 9.185 -8.996 1.00 1.41 H new ATOM 0 HB THR A1006 -3.506 11.671 -9.380 1.00 64.31 H new ATOM 0 HG1 THR A1006 -6.370 11.443 -9.185 1.00 44.12 H new ATOM 0 HG21 THR A1006 -4.814 11.586 -11.488 1.00 20.54 H new ATOM 0 HG22 THR A1006 -3.821 10.125 -11.267 1.00 20.54 H new ATOM 0 HG23 THR A1006 -5.572 10.068 -10.950 1.00 20.54 H new ATOM 1921 N ARG A1007 -4.590 10.639 -6.203 1.00 62.25 N ATOM 1922 CA ARG A1007 -4.258 10.920 -4.782 1.00 0.31 C ATOM 1923 C ARG A1007 -3.742 9.635 -4.093 1.00 42.24 C ATOM 1924 O ARG A1007 -2.850 9.674 -3.239 1.00 53.11 O ATOM 1925 CB ARG A1007 -5.499 11.478 -4.029 1.00 64.30 C ATOM 1926 CG ARG A1007 -5.246 11.861 -2.548 1.00 32.34 C ATOM 1927 CD ARG A1007 -4.196 12.979 -2.400 1.00 54.03 C ATOM 1928 NE ARG A1007 -3.878 13.269 -0.995 1.00 55.23 N ATOM 1929 CZ ARG A1007 -3.172 14.329 -0.571 1.00 10.13 C ATOM 1930 NH1 ARG A1007 -2.702 15.237 -1.431 1.00 23.44 N ATOM 1931 NH2 ARG A1007 -2.939 14.476 0.720 1.00 0.43 N ATOM 0 H ARG A1007 -5.576 10.774 -6.428 1.00 62.25 H new ATOM 0 HA ARG A1007 -3.472 11.675 -4.752 1.00 0.31 H new ATOM 0 HB2 ARG A1007 -5.862 12.358 -4.560 1.00 64.30 H new ATOM 0 HB3 ARG A1007 -6.294 10.733 -4.066 1.00 64.30 H new ATOM 0 HG2 ARG A1007 -6.183 12.184 -2.094 1.00 32.34 H new ATOM 0 HG3 ARG A1007 -4.914 10.980 -2.000 1.00 32.34 H new ATOM 0 HD2 ARG A1007 -3.285 12.689 -2.923 1.00 54.03 H new ATOM 0 HD3 ARG A1007 -4.565 13.885 -2.880 1.00 54.03 H new ATOM 0 HE ARG A1007 -4.219 12.616 -0.289 1.00 55.23 H new ATOM 0 HH11 ARG A1007 -2.878 15.132 -2.430 1.00 23.44 H new ATOM 0 HH12 ARG A1007 -2.168 16.035 -1.088 1.00 23.44 H new ATOM 0 HH21 ARG A1007 -3.294 13.788 1.384 1.00 0.43 H new ATOM 0 HH22 ARG A1007 -2.404 15.278 1.054 1.00 0.43 H new ATOM 1945 N TRP A1008 -4.317 8.512 -4.522 1.00 44.14 N ATOM 1946 CA TRP A1008 -3.947 7.164 -4.092 1.00 22.22 C ATOM 1947 C TRP A1008 -2.518 6.847 -4.557 1.00 14.33 C ATOM 1948 O TRP A1008 -1.689 6.520 -3.729 1.00 52.04 O ATOM 1949 CB TRP A1008 -5.015 6.181 -4.653 1.00 60.45 C ATOM 1950 CG TRP A1008 -4.644 4.725 -4.774 1.00 75.40 C ATOM 1951 CD1 TRP A1008 -4.123 4.106 -5.873 1.00 21.13 C ATOM 1952 CD2 TRP A1008 -4.829 3.700 -3.798 1.00 30.44 C ATOM 1953 NE1 TRP A1008 -3.949 2.781 -5.623 1.00 51.00 N ATOM 1954 CE2 TRP A1008 -4.386 2.500 -4.372 1.00 13.55 C ATOM 1955 CE3 TRP A1008 -5.323 3.679 -2.499 1.00 65.34 C ATOM 1956 CZ2 TRP A1008 -4.423 1.292 -3.704 1.00 11.33 C ATOM 1957 CZ3 TRP A1008 -5.361 2.478 -1.828 1.00 13.14 C ATOM 1958 CH2 TRP A1008 -4.916 1.298 -2.432 1.00 52.24 C ATOM 0 H TRP A1008 -5.078 8.516 -5.201 1.00 44.14 H new ATOM 0 HA TRP A1008 -3.937 7.069 -3.006 1.00 22.22 H new ATOM 0 HB2 TRP A1008 -5.898 6.249 -4.017 1.00 60.45 H new ATOM 0 HB3 TRP A1008 -5.307 6.534 -5.642 1.00 60.45 H new ATOM 0 HD1 TRP A1008 -3.884 4.597 -6.805 1.00 21.13 H new ATOM 0 HE1 TRP A1008 -3.552 2.105 -6.275 1.00 51.00 H new ATOM 0 HE3 TRP A1008 -5.670 4.586 -2.026 1.00 65.34 H new ATOM 0 HZ2 TRP A1008 -4.076 0.381 -4.169 1.00 11.33 H new ATOM 0 HZ3 TRP A1008 -5.741 2.446 -0.818 1.00 13.14 H new ATOM 0 HH2 TRP A1008 -4.964 0.371 -1.880 1.00 52.24 H new ATOM 1969 N LEU A1009 -2.232 7.030 -5.872 1.00 31.11 N ATOM 1970 CA LEU A1009 -0.909 6.701 -6.472 1.00 73.24 C ATOM 1971 C LEU A1009 0.227 7.565 -5.893 1.00 54.33 C ATOM 1972 O LEU A1009 1.363 7.092 -5.769 1.00 73.31 O ATOM 1973 CB LEU A1009 -0.938 6.844 -8.025 1.00 55.03 C ATOM 1974 CG LEU A1009 -1.848 5.836 -8.800 1.00 20.22 C ATOM 1975 CD1 LEU A1009 -1.838 6.113 -10.317 1.00 25.44 C ATOM 1976 CD2 LEU A1009 -1.464 4.377 -8.503 1.00 33.22 C ATOM 0 H LEU A1009 -2.903 7.406 -6.542 1.00 31.11 H new ATOM 0 HA LEU A1009 -0.708 5.661 -6.214 1.00 73.24 H new ATOM 0 HB2 LEU A1009 -1.264 7.855 -8.269 1.00 55.03 H new ATOM 0 HB3 LEU A1009 0.081 6.739 -8.397 1.00 55.03 H new ATOM 0 HG LEU A1009 -2.866 5.987 -8.442 1.00 20.22 H new ATOM 0 HD11 LEU A1009 -2.481 5.393 -10.823 1.00 25.44 H new ATOM 0 HD12 LEU A1009 -2.205 7.122 -10.505 1.00 25.44 H new ATOM 0 HD13 LEU A1009 -0.821 6.020 -10.697 1.00 25.44 H new ATOM 0 HD21 LEU A1009 -2.119 3.708 -9.060 1.00 33.22 H new ATOM 0 HD22 LEU A1009 -0.430 4.205 -8.802 1.00 33.22 H new ATOM 0 HD23 LEU A1009 -1.570 4.183 -7.436 1.00 33.22 H new ATOM 1988 N THR A1010 -0.076 8.833 -5.551 1.00 34.52 N ATOM 1989 CA THR A1010 0.919 9.738 -4.944 1.00 12.21 C ATOM 1990 C THR A1010 1.096 9.421 -3.435 1.00 12.21 C ATOM 1991 O THR A1010 2.184 9.602 -2.889 1.00 70.53 O ATOM 1992 CB THR A1010 0.576 11.254 -5.182 1.00 12.31 C ATOM 1993 OG1 THR A1010 1.680 12.078 -4.785 1.00 3.22 O ATOM 1994 CG2 THR A1010 -0.676 11.716 -4.431 1.00 54.34 C ATOM 0 H THR A1010 -0.997 9.251 -5.684 1.00 34.52 H new ATOM 0 HA THR A1010 1.871 9.559 -5.445 1.00 12.21 H new ATOM 0 HB THR A1010 0.378 11.356 -6.249 1.00 12.31 H new ATOM 0 HG1 THR A1010 1.457 13.020 -4.939 1.00 3.22 H new ATOM 0 HG21 THR A1010 -0.856 12.771 -4.638 1.00 54.34 H new ATOM 0 HG22 THR A1010 -1.534 11.130 -4.759 1.00 54.34 H new ATOM 0 HG23 THR A1010 -0.530 11.577 -3.360 1.00 54.34 H new ATOM 2002 N ALA A1011 0.022 8.916 -2.778 1.00 72.45 N ATOM 2003 CA ALA A1011 0.096 8.416 -1.382 1.00 60.23 C ATOM 2004 C ALA A1011 0.886 7.089 -1.316 1.00 44.12 C ATOM 2005 O ALA A1011 1.581 6.815 -0.325 1.00 54.30 O ATOM 2006 CB ALA A1011 -1.316 8.239 -0.799 1.00 32.11 C ATOM 0 H ALA A1011 -0.907 8.844 -3.193 1.00 72.45 H new ATOM 0 HA ALA A1011 0.626 9.155 -0.781 1.00 60.23 H new ATOM 0 HB1 ALA A1011 -1.244 7.872 0.225 1.00 32.11 H new ATOM 0 HB2 ALA A1011 -1.835 9.198 -0.805 1.00 32.11 H new ATOM 0 HB3 ALA A1011 -1.872 7.522 -1.403 1.00 32.11 H new ATOM 2012 N LEU A1012 0.775 6.285 -2.402 1.00 34.41 N ATOM 2013 CA LEU A1012 1.545 5.038 -2.573 1.00 2.34 C ATOM 2014 C LEU A1012 3.024 5.383 -2.758 1.00 51.30 C ATOM 2015 O LEU A1012 3.887 4.768 -2.164 1.00 52.25 O ATOM 2016 CB LEU A1012 1.064 4.204 -3.804 1.00 64.11 C ATOM 2017 CG LEU A1012 -0.419 3.705 -3.806 1.00 54.11 C ATOM 2018 CD1 LEU A1012 -0.657 2.671 -4.934 1.00 34.20 C ATOM 2019 CD2 LEU A1012 -0.847 3.156 -2.430 1.00 1.33 C ATOM 0 H LEU A1012 0.148 6.487 -3.181 1.00 34.41 H new ATOM 0 HA LEU A1012 1.391 4.433 -1.680 1.00 2.34 H new ATOM 0 HB2 LEU A1012 1.217 4.807 -4.699 1.00 64.11 H new ATOM 0 HB3 LEU A1012 1.712 3.332 -3.893 1.00 64.11 H new ATOM 0 HG LEU A1012 -1.052 4.569 -4.008 1.00 54.11 H new ATOM 0 HD11 LEU A1012 -1.696 2.341 -4.912 1.00 34.20 H new ATOM 0 HD12 LEU A1012 -0.442 3.130 -5.899 1.00 34.20 H new ATOM 0 HD13 LEU A1012 -0.001 1.813 -4.786 1.00 34.20 H new ATOM 0 HD21 LEU A1012 -1.883 2.821 -2.478 1.00 1.33 H new ATOM 0 HD22 LEU A1012 -0.207 2.317 -2.158 1.00 1.33 H new ATOM 0 HD23 LEU A1012 -0.754 3.941 -1.680 1.00 1.33 H new ATOM 2031 N ASP A1013 3.272 6.407 -3.596 1.00 71.50 N ATOM 2032 CA ASP A1013 4.619 6.926 -3.885 1.00 61.13 C ATOM 2033 C ASP A1013 5.263 7.513 -2.611 1.00 20.00 C ATOM 2034 O ASP A1013 6.472 7.399 -2.419 1.00 64.04 O ATOM 2035 CB ASP A1013 4.548 8.005 -5.002 1.00 44.04 C ATOM 2036 CG ASP A1013 5.934 8.539 -5.416 1.00 1.41 C ATOM 2037 OD1 ASP A1013 6.582 7.928 -6.282 1.00 1.12 O ATOM 2038 OD2 ASP A1013 6.378 9.577 -4.891 1.00 60.54 O ATOM 0 H ASP A1013 2.533 6.902 -4.096 1.00 71.50 H new ATOM 0 HA ASP A1013 5.241 6.100 -4.232 1.00 61.13 H new ATOM 0 HB2 ASP A1013 4.052 7.583 -5.876 1.00 44.04 H new ATOM 0 HB3 ASP A1013 3.933 8.836 -4.657 1.00 44.04 H new ATOM 2043 N ASN A1014 4.423 8.129 -1.750 1.00 35.11 N ATOM 2044 CA ASN A1014 4.858 8.729 -0.474 1.00 74.41 C ATOM 2045 C ASN A1014 5.288 7.630 0.513 1.00 72.21 C ATOM 2046 O ASN A1014 6.336 7.749 1.162 1.00 51.04 O ATOM 2047 CB ASN A1014 3.729 9.599 0.144 1.00 72.30 C ATOM 2048 CG ASN A1014 4.183 10.381 1.388 1.00 61.52 C ATOM 2049 OD1 ASN A1014 5.338 10.814 1.490 1.00 21.04 O ATOM 2050 ND2 ASN A1014 3.285 10.569 2.336 1.00 54.52 N ATOM 0 H ASN A1014 3.422 8.223 -1.923 1.00 35.11 H new ATOM 0 HA ASN A1014 5.713 9.375 -0.675 1.00 74.41 H new ATOM 0 HB2 ASN A1014 3.367 10.301 -0.607 1.00 72.30 H new ATOM 0 HB3 ASN A1014 2.889 8.958 0.412 1.00 72.30 H new ATOM 0 HD21 ASN A1014 3.535 11.083 3.181 1.00 54.52 H new ATOM 0 HD22 ASN A1014 2.341 10.200 2.224 1.00 54.52 H new ATOM 2057 N PHE A1015 4.470 6.556 0.597 1.00 21.20 N ATOM 2058 CA PHE A1015 4.766 5.383 1.428 1.00 43.12 C ATOM 2059 C PHE A1015 6.053 4.707 0.943 1.00 45.23 C ATOM 2060 O PHE A1015 7.008 4.637 1.689 1.00 23.22 O ATOM 2061 CB PHE A1015 3.580 4.390 1.408 1.00 23.30 C ATOM 2062 CG PHE A1015 3.878 3.012 2.019 1.00 1.12 C ATOM 2063 CD1 PHE A1015 3.936 1.886 1.211 1.00 64.25 C ATOM 2064 CD2 PHE A1015 4.087 2.844 3.384 1.00 24.31 C ATOM 2065 CE1 PHE A1015 4.196 0.640 1.726 1.00 14.40 C ATOM 2066 CE2 PHE A1015 4.351 1.590 3.909 1.00 34.34 C ATOM 2067 CZ PHE A1015 4.398 0.486 3.073 1.00 12.31 C ATOM 0 H PHE A1015 3.589 6.485 0.088 1.00 21.20 H new ATOM 0 HA PHE A1015 4.914 5.709 2.457 1.00 43.12 H new ATOM 0 HB2 PHE A1015 2.743 4.836 1.945 1.00 23.30 H new ATOM 0 HB3 PHE A1015 3.259 4.251 0.376 1.00 23.30 H new ATOM 0 HD1 PHE A1015 3.772 1.992 0.149 1.00 64.25 H new ATOM 0 HD2 PHE A1015 4.043 3.700 4.041 1.00 24.31 H new ATOM 0 HE1 PHE A1015 4.241 -0.217 1.071 1.00 14.40 H new ATOM 0 HE2 PHE A1015 4.520 1.473 4.969 1.00 34.34 H new ATOM 0 HZ PHE A1015 4.593 -0.494 3.482 1.00 12.31 H new ATOM 2077 N GLU A1016 6.036 4.263 -0.328 1.00 35.40 N ATOM 2078 CA GLU A1016 7.166 3.633 -1.043 1.00 54.44 C ATOM 2079 C GLU A1016 8.502 4.349 -0.769 1.00 3.43 C ATOM 2080 O GLU A1016 9.444 3.743 -0.230 1.00 24.02 O ATOM 2081 CB GLU A1016 6.850 3.665 -2.560 1.00 23.12 C ATOM 2082 CG GLU A1016 7.914 3.033 -3.469 1.00 44.25 C ATOM 2083 CD GLU A1016 7.718 3.407 -4.945 1.00 43.13 C ATOM 2084 OE1 GLU A1016 6.844 2.826 -5.608 1.00 31.05 O ATOM 2085 OE2 GLU A1016 8.425 4.316 -5.440 1.00 71.53 O ATOM 0 H GLU A1016 5.201 4.336 -0.910 1.00 35.40 H new ATOM 0 HA GLU A1016 7.279 2.609 -0.687 1.00 54.44 H new ATOM 0 HB2 GLU A1016 5.903 3.152 -2.727 1.00 23.12 H new ATOM 0 HB3 GLU A1016 6.708 4.703 -2.862 1.00 23.12 H new ATOM 0 HG2 GLU A1016 8.903 3.354 -3.144 1.00 44.25 H new ATOM 0 HG3 GLU A1016 7.880 1.949 -3.364 1.00 44.25 H new ATOM 2092 N ALA A1017 8.527 5.658 -1.081 1.00 32.20 N ATOM 2093 CA ALA A1017 9.721 6.498 -0.946 1.00 4.10 C ATOM 2094 C ALA A1017 10.180 6.597 0.520 1.00 13.02 C ATOM 2095 O ALA A1017 11.282 6.145 0.854 1.00 41.04 O ATOM 2096 CB ALA A1017 9.458 7.891 -1.526 1.00 34.21 C ATOM 0 H ALA A1017 7.713 6.161 -1.435 1.00 32.20 H new ATOM 0 HA ALA A1017 10.527 6.028 -1.510 1.00 4.10 H new ATOM 0 HB1 ALA A1017 10.353 8.504 -1.419 1.00 34.21 H new ATOM 0 HB2 ALA A1017 9.202 7.803 -2.582 1.00 34.21 H new ATOM 0 HB3 ALA A1017 8.632 8.358 -0.990 1.00 34.21 H new ATOM 2102 N LYS A1018 9.296 7.123 1.399 1.00 62.10 N ATOM 2103 CA LYS A1018 9.652 7.435 2.800 1.00 30.12 C ATOM 2104 C LYS A1018 9.949 6.164 3.622 1.00 21.41 C ATOM 2105 O LYS A1018 10.789 6.179 4.543 1.00 43.24 O ATOM 2106 CB LYS A1018 8.551 8.298 3.487 1.00 32.44 C ATOM 2107 CG LYS A1018 8.902 8.736 4.932 1.00 13.43 C ATOM 2108 CD LYS A1018 10.258 9.498 5.002 1.00 42.23 C ATOM 2109 CE LYS A1018 10.721 9.756 6.441 1.00 34.12 C ATOM 2110 NZ LYS A1018 9.748 10.586 7.198 1.00 51.20 N ATOM 0 H LYS A1018 8.328 7.340 1.160 1.00 62.10 H new ATOM 0 HA LYS A1018 10.571 8.021 2.768 1.00 30.12 H new ATOM 0 HB2 LYS A1018 8.371 9.187 2.883 1.00 32.44 H new ATOM 0 HB3 LYS A1018 7.620 7.732 3.506 1.00 32.44 H new ATOM 0 HG2 LYS A1018 8.108 9.374 5.319 1.00 13.43 H new ATOM 0 HG3 LYS A1018 8.947 7.857 5.575 1.00 13.43 H new ATOM 0 HD2 LYS A1018 11.021 8.922 4.478 1.00 42.23 H new ATOM 0 HD3 LYS A1018 10.162 10.450 4.480 1.00 42.23 H new ATOM 0 HE2 LYS A1018 10.861 8.804 6.953 1.00 34.12 H new ATOM 0 HE3 LYS A1018 11.690 10.256 6.426 1.00 34.12 H new ATOM 0 HZ1 LYS A1018 10.122 10.779 8.149 1.00 51.20 H new ATOM 0 HZ2 LYS A1018 9.594 11.484 6.697 1.00 51.20 H new ATOM 0 HZ3 LYS A1018 8.845 10.076 7.279 1.00 51.20 H new ATOM 2124 N MET A1019 9.307 5.056 3.266 1.00 73.20 N ATOM 2125 CA MET A1019 9.538 3.786 3.948 1.00 4.10 C ATOM 2126 C MET A1019 10.858 3.156 3.453 1.00 3.11 C ATOM 2127 O MET A1019 11.520 2.442 4.200 1.00 22.44 O ATOM 2128 CB MET A1019 8.331 2.816 3.827 1.00 72.44 C ATOM 2129 CG MET A1019 8.302 1.896 2.583 1.00 70.15 C ATOM 2130 SD MET A1019 7.767 0.233 3.004 1.00 13.42 S ATOM 2131 CE MET A1019 8.937 -0.146 4.307 1.00 20.21 C ATOM 0 H MET A1019 8.623 5.011 2.510 1.00 73.20 H new ATOM 0 HA MET A1019 9.637 3.986 5.015 1.00 4.10 H new ATOM 0 HB2 MET A1019 8.310 2.186 4.717 1.00 72.44 H new ATOM 0 HB3 MET A1019 7.416 3.408 3.834 1.00 72.44 H new ATOM 0 HG2 MET A1019 7.631 2.316 1.834 1.00 70.15 H new ATOM 0 HG3 MET A1019 9.295 1.857 2.135 1.00 70.15 H new ATOM 0 HE1 MET A1019 8.817 -1.186 4.612 1.00 20.21 H new ATOM 0 HE2 MET A1019 9.952 0.011 3.942 1.00 20.21 H new ATOM 0 HE3 MET A1019 8.754 0.506 5.161 1.00 20.21 H new ATOM 2141 N ALA A1020 11.237 3.449 2.190 1.00 11.42 N ATOM 2142 CA ALA A1020 12.588 3.134 1.674 1.00 41.43 C ATOM 2143 C ALA A1020 13.638 4.114 2.250 1.00 5.30 C ATOM 2144 O ALA A1020 14.840 3.868 2.136 1.00 44.42 O ATOM 2145 CB ALA A1020 12.596 3.159 0.136 1.00 61.04 C ATOM 0 H ALA A1020 10.628 3.903 1.509 1.00 11.42 H new ATOM 0 HA ALA A1020 12.855 2.129 1.999 1.00 41.43 H new ATOM 0 HB1 ALA A1020 13.597 2.925 -0.226 1.00 61.04 H new ATOM 0 HB2 ALA A1020 11.891 2.420 -0.244 1.00 61.04 H new ATOM 0 HB3 ALA A1020 12.306 4.150 -0.213 1.00 61.04 H new ATOM 2151 N LEU A1021 13.167 5.244 2.829 1.00 73.03 N ATOM 2152 CA LEU A1021 14.022 6.197 3.580 1.00 33.05 C ATOM 2153 C LEU A1021 14.118 5.822 5.085 1.00 13.40 C ATOM 2154 O LEU A1021 14.983 6.363 5.783 1.00 64.14 O ATOM 2155 CB LEU A1021 13.499 7.658 3.416 1.00 12.01 C ATOM 2156 CG LEU A1021 13.415 8.209 1.952 1.00 5.23 C ATOM 2157 CD1 LEU A1021 12.855 9.650 1.920 1.00 32.22 C ATOM 2158 CD2 LEU A1021 14.775 8.120 1.228 1.00 5.44 C ATOM 0 H LEU A1021 12.186 5.521 2.789 1.00 73.03 H new ATOM 0 HA LEU A1021 15.025 6.135 3.158 1.00 33.05 H new ATOM 0 HB2 LEU A1021 12.505 7.717 3.860 1.00 12.01 H new ATOM 0 HB3 LEU A1021 14.146 8.319 3.993 1.00 12.01 H new ATOM 0 HG LEU A1021 12.717 7.572 1.410 1.00 5.23 H new ATOM 0 HD11 LEU A1021 12.811 10.000 0.889 1.00 32.22 H new ATOM 0 HD12 LEU A1021 11.854 9.661 2.350 1.00 32.22 H new ATOM 0 HD13 LEU A1021 13.506 10.306 2.498 1.00 32.22 H new ATOM 0 HD21 LEU A1021 14.675 8.512 0.216 1.00 5.44 H new ATOM 0 HD22 LEU A1021 15.516 8.706 1.772 1.00 5.44 H new ATOM 0 HD23 LEU A1021 15.096 7.079 1.184 1.00 5.44 H new ATOM 2170 N LEU A1022 13.193 4.948 5.591 1.00 73.20 N ATOM 2171 CA LEU A1022 13.307 4.335 6.959 1.00 54.11 C ATOM 2172 C LEU A1022 14.686 3.639 7.140 1.00 32.24 C ATOM 2173 O LEU A1022 14.943 2.633 6.478 1.00 12.23 O ATOM 2174 CB LEU A1022 12.181 3.278 7.234 1.00 31.25 C ATOM 2175 CG LEU A1022 10.724 3.814 7.417 1.00 71.31 C ATOM 2176 CD1 LEU A1022 9.708 2.650 7.531 1.00 13.44 C ATOM 2177 CD2 LEU A1022 10.621 4.739 8.643 1.00 53.24 C ATOM 0 H LEU A1022 12.364 4.652 5.076 1.00 73.20 H new ATOM 0 HA LEU A1022 13.200 5.155 7.669 1.00 54.11 H new ATOM 0 HB2 LEU A1022 12.177 2.566 6.408 1.00 31.25 H new ATOM 0 HB3 LEU A1022 12.452 2.723 8.132 1.00 31.25 H new ATOM 0 HG LEU A1022 10.477 4.396 6.529 1.00 71.31 H new ATOM 0 HD11 LEU A1022 8.704 3.055 7.657 1.00 13.44 H new ATOM 0 HD12 LEU A1022 9.744 2.045 6.625 1.00 13.44 H new ATOM 0 HD13 LEU A1022 9.960 2.030 8.391 1.00 13.44 H new ATOM 0 HD21 LEU A1022 9.596 5.096 8.744 1.00 53.24 H new ATOM 0 HD22 LEU A1022 10.903 4.187 9.540 1.00 53.24 H new ATOM 0 HD23 LEU A1022 11.290 5.590 8.514 1.00 53.24 H new ATOM 2189 N PRO A1023 15.585 4.155 8.045 1.00 61.55 N ATOM 2190 CA PRO A1023 16.943 3.592 8.250 1.00 23.21 C ATOM 2191 C PRO A1023 17.005 2.539 9.387 1.00 64.42 C ATOM 2192 O PRO A1023 18.062 2.335 9.991 1.00 21.23 O ATOM 2193 CB PRO A1023 17.739 4.871 8.600 1.00 74.11 C ATOM 2194 CG PRO A1023 16.779 5.718 9.398 1.00 74.34 C ATOM 2195 CD PRO A1023 15.372 5.339 8.933 1.00 62.21 C ATOM 0 HA PRO A1023 17.320 3.040 7.390 1.00 23.21 H new ATOM 0 HB2 PRO A1023 18.632 4.635 9.178 1.00 74.11 H new ATOM 0 HB3 PRO A1023 18.070 5.390 7.700 1.00 74.11 H new ATOM 0 HG2 PRO A1023 16.897 5.535 10.466 1.00 74.34 H new ATOM 0 HG3 PRO A1023 16.969 6.779 9.233 1.00 74.34 H new ATOM 0 HD2 PRO A1023 14.727 5.093 9.776 1.00 62.21 H new ATOM 0 HD3 PRO A1023 14.896 6.159 8.396 1.00 62.21 H new ATOM 2203 N ALA A1024 15.878 1.857 9.651 1.00 41.31 N ATOM 2204 CA ALA A1024 15.739 0.922 10.799 1.00 11.14 C ATOM 2205 C ALA A1024 15.271 -0.467 10.344 1.00 10.42 C ATOM 2206 O ALA A1024 15.626 -1.487 10.947 1.00 21.33 O ATOM 2207 CB ALA A1024 14.756 1.508 11.828 1.00 65.42 C ATOM 0 H ALA A1024 15.035 1.932 9.081 1.00 41.31 H new ATOM 0 HA ALA A1024 16.719 0.802 11.260 1.00 11.14 H new ATOM 0 HB1 ALA A1024 14.656 0.821 12.668 1.00 65.42 H new ATOM 0 HB2 ALA A1024 15.132 2.466 12.186 1.00 65.42 H new ATOM 0 HB3 ALA A1024 13.782 1.653 11.360 1.00 65.42 H new ATOM 2213 N VAL A1025 14.441 -0.489 9.294 1.00 23.13 N ATOM 2214 CA VAL A1025 13.883 -1.722 8.692 1.00 55.20 C ATOM 2215 C VAL A1025 14.090 -1.701 7.157 1.00 15.22 C ATOM 2216 O VAL A1025 14.056 -2.781 6.531 1.00 32.50 O ATOM 2217 CB VAL A1025 12.346 -1.912 9.037 1.00 54.00 C ATOM 2218 CG1 VAL A1025 12.140 -2.267 10.531 1.00 54.13 C ATOM 2219 CG2 VAL A1025 11.519 -0.660 8.632 1.00 21.34 C ATOM 2220 OXT VAL A1025 14.312 -0.604 6.592 1.00 38.55 O ATOM 0 H VAL A1025 14.128 0.361 8.825 1.00 23.13 H new ATOM 0 HA VAL A1025 14.418 -2.570 9.120 1.00 55.20 H new ATOM 0 HB VAL A1025 11.979 -2.753 8.449 1.00 54.00 H new ATOM 0 HG11 VAL A1025 11.076 -2.390 10.732 1.00 54.13 H new ATOM 0 HG12 VAL A1025 12.662 -3.196 10.760 1.00 54.13 H new ATOM 0 HG13 VAL A1025 12.537 -1.465 11.154 1.00 54.13 H new ATOM 0 HG21 VAL A1025 10.470 -0.821 8.881 1.00 21.34 H new ATOM 0 HG22 VAL A1025 11.891 0.211 9.171 1.00 21.34 H new ATOM 0 HG23 VAL A1025 11.616 -0.491 7.559 1.00 21.34 H new TER 2230 VAL A1025