USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 985 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 76 GLN : amide:sc= -0.461 X(o=-3.1,f=-2.7) USER MOD Set 1.2: A 99 GLN : amide:sc= -2.68! C(o=-3.1!,f=-5.1!) USER MOD Set 2.1: A 19 GLN : amide:sc= -0.872 K(o=-2.5,f=-0.74) USER MOD Set 2.2: A 70 GLN : amide:sc= -1.64 X(o=-2.5,f=-2.5!) USER MOD Set 3.1: A 18 SER OG : rot -21:sc= 0.518 USER MOD Set 3.2: A 40 TYR OH : rot -149:sc= -1.33 USER MOD Set 3.3: A 71 THR OG1 : rot 107:sc= -0.55 USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0904) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.0082 (180deg=-0.072) 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= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.3!) USER MOD Single : A 20 SER OG : rot 72:sc= 0.837 USER MOD Single : A 26 GLN : amide:sc= -0.635 K(o=-0.64,f=-2.4!) USER MOD Single : A 35 GLN : amide:sc= -0.534 K(o=-0.53,f=-2.2) USER MOD Single : A 36 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.33) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 43 SER OG : rot 68:sc= 1.01 USER MOD Single : A 46 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 48 MET CE :methyl -141:sc= -0.13 (180deg=-2.53!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0.00672 X(o=0.0067,f=-0.064) USER MOD Single : A 52 THR OG1 : rot -63:sc= -0.956 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.354 K(o=0.35,f=-2.9!) USER MOD Single : A 63 MET CE :methyl 178:sc= -1.17 (180deg=-1.22) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -143:sc= 0.245 (180deg=-0.396) USER MOD Single : A 74 ASN : amide:sc= -3.31! C(o=-3.3!,f=-2.5!) USER MOD Single : A 79 LYS NZ :NH3+ 138:sc= 0.663 (180deg=-1.33) USER MOD Single : A 83 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.25) USER MOD Single : A 84 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.21) USER MOD Single : A 96 SER OG : rot -108:sc= 0.381 USER MOD Single : A 97 THR OG1 : rot 61:sc= 0.712 USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0109) USER MOD Single : A 101 SER OG : rot -105:sc= 1.28 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -174:sc= -0.116 (180deg=-0.167) USER MOD Single : A 122 SER OG : rot 66:sc= 0.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.771 3.338 21.472 1.00 15.31 N ATOM 2 CA MET A 1 1.418 2.252 20.533 1.00 33.35 C ATOM 3 C MET A 1 0.425 2.733 19.460 1.00 52.50 C ATOM 4 O MET A 1 0.446 2.206 18.346 1.00 53.20 O ATOM 5 CB MET A 1 0.861 1.013 21.292 1.00 54.12 C ATOM 6 CG MET A 1 0.537 -0.201 20.395 1.00 51.53 C ATOM 7 SD MET A 1 1.931 -0.674 19.343 1.00 62.31 S ATOM 8 CE MET A 1 1.255 -2.063 18.427 1.00 42.30 C ATOM 0 H1 MET A 1 2.528 3.015 22.107 1.00 15.31 H new ATOM 0 H2 MET A 1 2.098 4.167 20.936 1.00 15.31 H new ATOM 0 H3 MET A 1 0.935 3.597 22.034 1.00 15.31 H new ATOM 0 HA MET A 1 2.333 1.952 20.023 1.00 33.35 H new ATOM 0 HB2 MET A 1 1.588 0.708 22.044 1.00 54.12 H new ATOM 0 HB3 MET A 1 -0.044 1.306 21.824 1.00 54.12 H new ATOM 0 HG2 MET A 1 0.255 -1.047 21.022 1.00 51.53 H new ATOM 0 HG3 MET A 1 -0.324 0.033 19.769 1.00 51.53 H new ATOM 0 HE1 MET A 1 1.939 -2.336 17.623 1.00 42.30 H new ATOM 0 HE2 MET A 1 1.125 -2.912 19.098 1.00 42.30 H new ATOM 0 HE3 MET A 1 0.290 -1.784 18.003 1.00 42.30 H new ATOM 20 N THR A 2 -0.416 3.750 19.782 1.00 74.44 N ATOM 21 CA THR A 2 -1.473 4.239 18.863 1.00 72.42 C ATOM 22 C THR A 2 -0.902 4.654 17.491 1.00 74.14 C ATOM 23 O THR A 2 -1.487 4.321 16.464 1.00 65.52 O ATOM 24 CB THR A 2 -2.289 5.431 19.468 1.00 52.02 C ATOM 25 OG1 THR A 2 -1.406 6.492 19.851 1.00 74.43 O ATOM 26 CG2 THR A 2 -3.142 5.003 20.680 1.00 21.00 C ATOM 0 H THR A 2 -0.381 4.246 20.672 1.00 74.44 H new ATOM 0 HA THR A 2 -2.149 3.396 18.723 1.00 72.42 H new ATOM 0 HB THR A 2 -2.970 5.778 18.691 1.00 52.02 H new ATOM 0 HG1 THR A 2 -1.927 7.232 20.226 1.00 74.43 H new ATOM 0 HG21 THR A 2 -3.688 5.865 21.063 1.00 21.00 H new ATOM 0 HG22 THR A 2 -3.849 4.232 20.373 1.00 21.00 H new ATOM 0 HG23 THR A 2 -2.492 4.609 21.461 1.00 21.00 H new ATOM 34 N SER A 3 0.265 5.337 17.497 1.00 5.44 N ATOM 35 CA SER A 3 0.965 5.760 16.264 1.00 72.31 C ATOM 36 C SER A 3 1.303 4.543 15.369 1.00 2.44 C ATOM 37 O SER A 3 1.114 4.584 14.146 1.00 51.42 O ATOM 38 CB SER A 3 2.250 6.529 16.642 1.00 14.31 C ATOM 39 OG SER A 3 1.972 7.557 17.582 1.00 73.24 O ATOM 0 H SER A 3 0.746 5.609 18.354 1.00 5.44 H new ATOM 0 HA SER A 3 0.306 6.415 15.694 1.00 72.31 H new ATOM 0 HB2 SER A 3 2.982 5.838 17.060 1.00 14.31 H new ATOM 0 HB3 SER A 3 2.696 6.962 15.746 1.00 14.31 H new ATOM 0 HG SER A 3 2.802 8.028 17.807 1.00 73.24 H new ATOM 45 N THR A 4 1.771 3.454 16.017 1.00 1.11 N ATOM 46 CA THR A 4 2.104 2.189 15.345 1.00 45.42 C ATOM 47 C THR A 4 0.837 1.482 14.816 1.00 24.14 C ATOM 48 O THR A 4 0.845 0.970 13.702 1.00 50.33 O ATOM 49 CB THR A 4 2.897 1.230 16.294 1.00 65.35 C ATOM 50 OG1 THR A 4 4.068 1.902 16.784 1.00 30.11 O ATOM 51 CG2 THR A 4 3.325 -0.072 15.585 1.00 3.41 C ATOM 0 H THR A 4 1.927 3.433 17.025 1.00 1.11 H new ATOM 0 HA THR A 4 2.740 2.437 14.496 1.00 45.42 H new ATOM 0 HB THR A 4 2.233 0.961 17.115 1.00 65.35 H new ATOM 0 HG1 THR A 4 4.564 1.302 17.380 1.00 30.11 H new ATOM 0 HG21 THR A 4 3.872 -0.704 16.284 1.00 3.41 H new ATOM 0 HG22 THR A 4 2.440 -0.602 15.232 1.00 3.41 H new ATOM 0 HG23 THR A 4 3.966 0.169 14.737 1.00 3.41 H new ATOM 59 N VAL A 5 -0.257 1.500 15.614 1.00 53.24 N ATOM 60 CA VAL A 5 -1.540 0.866 15.239 1.00 44.33 C ATOM 61 C VAL A 5 -2.125 1.552 13.994 1.00 14.52 C ATOM 62 O VAL A 5 -2.618 0.880 13.086 1.00 42.33 O ATOM 63 CB VAL A 5 -2.591 0.902 16.419 1.00 20.31 C ATOM 64 CG1 VAL A 5 -3.959 0.297 15.996 1.00 2.40 C ATOM 65 CG2 VAL A 5 -2.045 0.181 17.674 1.00 21.14 C ATOM 0 H VAL A 5 -0.274 1.951 16.529 1.00 53.24 H new ATOM 0 HA VAL A 5 -1.332 -0.181 15.017 1.00 44.33 H new ATOM 0 HB VAL A 5 -2.756 1.951 16.667 1.00 20.31 H new ATOM 0 HG11 VAL A 5 -4.652 0.341 16.836 1.00 2.40 H new ATOM 0 HG12 VAL A 5 -4.366 0.866 15.160 1.00 2.40 H new ATOM 0 HG13 VAL A 5 -3.820 -0.741 15.695 1.00 2.40 H new ATOM 0 HG21 VAL A 5 -2.789 0.222 18.469 1.00 21.14 H new ATOM 0 HG22 VAL A 5 -1.830 -0.860 17.431 1.00 21.14 H new ATOM 0 HG23 VAL A 5 -1.131 0.672 18.007 1.00 21.14 H new ATOM 75 N GLU A 6 -2.017 2.894 13.957 1.00 51.54 N ATOM 76 CA GLU A 6 -2.493 3.710 12.832 1.00 52.42 C ATOM 77 C GLU A 6 -1.594 3.529 11.601 1.00 3.42 C ATOM 78 O GLU A 6 -2.086 3.543 10.483 1.00 30.51 O ATOM 79 CB GLU A 6 -2.554 5.206 13.221 1.00 15.41 C ATOM 80 CG GLU A 6 -3.515 5.536 14.381 1.00 55.42 C ATOM 81 CD GLU A 6 -4.972 5.124 14.110 1.00 55.30 C ATOM 82 OE1 GLU A 6 -5.618 5.746 13.234 1.00 53.12 O ATOM 83 OE2 GLU A 6 -5.477 4.188 14.771 1.00 70.33 O ATOM 0 H GLU A 6 -1.596 3.440 14.709 1.00 51.54 H new ATOM 0 HA GLU A 6 -3.499 3.371 12.583 1.00 52.42 H new ATOM 0 HB2 GLU A 6 -1.552 5.537 13.493 1.00 15.41 H new ATOM 0 HB3 GLU A 6 -2.853 5.782 12.345 1.00 15.41 H new ATOM 0 HG2 GLU A 6 -3.167 5.035 15.284 1.00 55.42 H new ATOM 0 HG3 GLU A 6 -3.480 6.608 14.577 1.00 55.42 H new ATOM 90 N PHE A 7 -0.277 3.351 11.826 1.00 61.52 N ATOM 91 CA PHE A 7 0.706 3.156 10.741 1.00 23.41 C ATOM 92 C PHE A 7 0.472 1.796 10.033 1.00 71.13 C ATOM 93 O PHE A 7 0.459 1.720 8.793 1.00 74.43 O ATOM 94 CB PHE A 7 2.147 3.255 11.312 1.00 71.22 C ATOM 95 CG PHE A 7 3.245 3.311 10.253 1.00 4.04 C ATOM 96 CD1 PHE A 7 3.441 4.472 9.495 1.00 64.31 C ATOM 97 CD2 PHE A 7 4.096 2.224 10.024 1.00 30.30 C ATOM 98 CE1 PHE A 7 4.436 4.538 8.538 1.00 54.52 C ATOM 99 CE2 PHE A 7 5.090 2.295 9.068 1.00 33.03 C ATOM 100 CZ PHE A 7 5.263 3.454 8.328 1.00 32.02 C ATOM 0 H PHE A 7 0.134 3.338 12.760 1.00 61.52 H new ATOM 0 HA PHE A 7 0.578 3.941 9.996 1.00 23.41 H new ATOM 0 HB2 PHE A 7 2.216 4.146 11.937 1.00 71.22 H new ATOM 0 HB3 PHE A 7 2.327 2.397 11.959 1.00 71.22 H new ATOM 0 HD1 PHE A 7 2.805 5.329 9.661 1.00 64.31 H new ATOM 0 HD2 PHE A 7 3.974 1.319 10.601 1.00 30.30 H new ATOM 0 HE1 PHE A 7 4.566 5.438 7.955 1.00 54.52 H new ATOM 0 HE2 PHE A 7 5.734 1.445 8.897 1.00 33.03 H new ATOM 0 HZ PHE A 7 6.046 3.509 7.586 1.00 32.02 H new ATOM 110 N ILE A 8 0.261 0.738 10.846 1.00 13.51 N ATOM 111 CA ILE A 8 -0.112 -0.604 10.360 1.00 73.40 C ATOM 112 C ILE A 8 -1.478 -0.531 9.658 1.00 12.35 C ATOM 113 O ILE A 8 -1.659 -1.134 8.613 1.00 23.42 O ATOM 114 CB ILE A 8 -0.166 -1.663 11.533 1.00 53.53 C ATOM 115 CG1 ILE A 8 1.230 -1.807 12.217 1.00 44.45 C ATOM 116 CG2 ILE A 8 -0.685 -3.044 11.040 1.00 54.24 C ATOM 117 CD1 ILE A 8 1.234 -2.685 13.456 1.00 64.30 C ATOM 0 H ILE A 8 0.345 0.793 11.861 1.00 13.51 H new ATOM 0 HA ILE A 8 0.654 -0.933 9.657 1.00 73.40 H new ATOM 0 HB ILE A 8 -0.875 -1.293 12.273 1.00 53.53 H new ATOM 0 HG12 ILE A 8 1.935 -2.217 11.494 1.00 44.45 H new ATOM 0 HG13 ILE A 8 1.592 -0.815 12.488 1.00 44.45 H new ATOM 0 HG21 ILE A 8 -0.707 -3.744 11.875 1.00 54.24 H new ATOM 0 HG22 ILE A 8 -1.690 -2.931 10.634 1.00 54.24 H new ATOM 0 HG23 ILE A 8 -0.022 -3.426 10.264 1.00 54.24 H new ATOM 0 HD11 ILE A 8 2.243 -2.730 13.867 1.00 64.30 H new ATOM 0 HD12 ILE A 8 0.557 -2.266 14.201 1.00 64.30 H new ATOM 0 HD13 ILE A 8 0.905 -3.690 13.191 1.00 64.30 H new ATOM 129 N ASN A 9 -2.407 0.260 10.244 1.00 15.23 N ATOM 130 CA ASN A 9 -3.758 0.505 9.688 1.00 21.31 C ATOM 131 C ASN A 9 -3.679 1.189 8.315 1.00 44.44 C ATOM 132 O ASN A 9 -4.513 0.940 7.441 1.00 33.11 O ATOM 133 CB ASN A 9 -4.598 1.351 10.686 1.00 73.13 C ATOM 134 CG ASN A 9 -5.933 1.841 10.121 1.00 33.40 C ATOM 135 OD1 ASN A 9 -6.029 2.952 9.595 1.00 3.30 O ATOM 136 ND2 ASN A 9 -6.963 1.017 10.202 1.00 54.51 N ATOM 0 H ASN A 9 -2.238 0.750 11.123 1.00 15.23 H new ATOM 0 HA ASN A 9 -4.252 -0.456 9.544 1.00 21.31 H new ATOM 0 HB2 ASN A 9 -4.790 0.755 11.578 1.00 73.13 H new ATOM 0 HB3 ASN A 9 -4.010 2.214 10.999 1.00 73.13 H new ATOM 0 HD21 ASN A 9 -7.869 1.294 9.823 1.00 54.51 H new ATOM 0 HD22 ASN A 9 -6.852 0.104 10.643 1.00 54.51 H new ATOM 143 N ARG A 10 -2.660 2.038 8.139 1.00 44.10 N ATOM 144 CA ARG A 10 -2.382 2.702 6.862 1.00 3.34 C ATOM 145 C ARG A 10 -1.904 1.679 5.820 1.00 12.44 C ATOM 146 O ARG A 10 -2.296 1.753 4.660 1.00 71.32 O ATOM 147 CB ARG A 10 -1.333 3.820 7.050 1.00 44.14 C ATOM 148 CG ARG A 10 -1.853 5.073 7.777 1.00 1.41 C ATOM 149 CD ARG A 10 -0.763 6.142 7.977 1.00 73.33 C ATOM 150 NE ARG A 10 -1.254 7.261 8.799 1.00 10.53 N ATOM 151 CZ ARG A 10 -0.786 7.598 10.010 1.00 34.30 C ATOM 152 NH1 ARG A 10 0.203 6.908 10.579 1.00 72.43 N ATOM 153 NH2 ARG A 10 -1.323 8.622 10.650 1.00 65.30 N ATOM 0 H ARG A 10 -2.004 2.284 8.880 1.00 44.10 H new ATOM 0 HA ARG A 10 -3.304 3.157 6.500 1.00 3.34 H new ATOM 0 HB2 ARG A 10 -0.488 3.417 7.608 1.00 44.14 H new ATOM 0 HB3 ARG A 10 -0.956 4.115 6.071 1.00 44.14 H new ATOM 0 HG2 ARG A 10 -2.677 5.503 7.207 1.00 1.41 H new ATOM 0 HG3 ARG A 10 -2.254 4.784 8.748 1.00 1.41 H new ATOM 0 HD2 ARG A 10 0.107 5.692 8.455 1.00 73.33 H new ATOM 0 HD3 ARG A 10 -0.436 6.517 7.007 1.00 73.33 H new ATOM 0 HE ARG A 10 -2.012 7.826 8.416 1.00 10.53 H new ATOM 0 HH11 ARG A 10 0.615 6.111 10.093 1.00 72.43 H new ATOM 0 HH12 ARG A 10 0.548 7.177 11.500 1.00 72.43 H new ATOM 0 HH21 ARG A 10 -2.086 9.147 10.223 1.00 65.30 H new ATOM 0 HH22 ARG A 10 -0.975 8.887 11.571 1.00 65.30 H new ATOM 167 N TRP A 11 -1.056 0.727 6.254 1.00 65.04 N ATOM 168 CA TRP A 11 -0.604 -0.383 5.387 1.00 75.21 C ATOM 169 C TRP A 11 -1.736 -1.380 5.084 1.00 72.42 C ATOM 170 O TRP A 11 -1.770 -1.952 3.991 1.00 35.12 O ATOM 171 CB TRP A 11 0.626 -1.102 5.985 1.00 63.13 C ATOM 172 CG TRP A 11 1.877 -0.268 5.892 1.00 50.20 C ATOM 173 CD1 TRP A 11 2.624 0.233 6.915 1.00 70.10 C ATOM 174 CD2 TRP A 11 2.492 0.205 4.679 1.00 73.43 C ATOM 175 NE1 TRP A 11 3.690 0.934 6.413 1.00 41.04 N ATOM 176 CE2 TRP A 11 3.626 0.939 5.049 1.00 11.14 C ATOM 177 CE3 TRP A 11 2.200 0.060 3.313 1.00 63.22 C ATOM 178 CZ2 TRP A 11 4.470 1.530 4.115 1.00 31.44 C ATOM 179 CZ3 TRP A 11 3.034 0.655 2.389 1.00 41.14 C ATOM 180 CH2 TRP A 11 4.161 1.381 2.797 1.00 2.25 C ATOM 0 H TRP A 11 -0.670 0.702 7.198 1.00 65.04 H new ATOM 0 HA TRP A 11 -0.304 0.061 4.438 1.00 75.21 H new ATOM 0 HB2 TRP A 11 0.430 -1.344 7.030 1.00 63.13 H new ATOM 0 HB3 TRP A 11 0.782 -2.046 5.463 1.00 63.13 H new ATOM 0 HD1 TRP A 11 2.409 0.098 7.965 1.00 70.10 H new ATOM 0 HE1 TRP A 11 4.417 1.382 6.971 1.00 41.04 H new ATOM 0 HE3 TRP A 11 1.339 -0.507 2.992 1.00 63.22 H new ATOM 0 HZ2 TRP A 11 5.341 2.088 4.424 1.00 31.44 H new ATOM 0 HZ3 TRP A 11 2.815 0.560 1.336 1.00 41.14 H new ATOM 0 HH2 TRP A 11 4.798 1.832 2.050 1.00 2.25 H new ATOM 191 N GLN A 12 -2.664 -1.555 6.048 1.00 72.04 N ATOM 192 CA GLN A 12 -3.890 -2.344 5.847 1.00 55.40 C ATOM 193 C GLN A 12 -4.734 -1.671 4.765 1.00 73.33 C ATOM 194 O GLN A 12 -5.242 -2.330 3.873 1.00 51.45 O ATOM 195 CB GLN A 12 -4.724 -2.464 7.159 1.00 72.43 C ATOM 196 CG GLN A 12 -4.043 -3.223 8.308 1.00 14.42 C ATOM 197 CD GLN A 12 -4.889 -3.263 9.581 1.00 71.44 C ATOM 198 OE1 GLN A 12 -4.779 -2.400 10.454 1.00 44.04 O ATOM 199 NE2 GLN A 12 -5.753 -4.252 9.695 1.00 14.31 N ATOM 0 H GLN A 12 -2.582 -1.154 6.982 1.00 72.04 H new ATOM 0 HA GLN A 12 -3.605 -3.352 5.544 1.00 55.40 H new ATOM 0 HB2 GLN A 12 -4.970 -1.460 7.505 1.00 72.43 H new ATOM 0 HB3 GLN A 12 -5.666 -2.961 6.926 1.00 72.43 H new ATOM 0 HG2 GLN A 12 -3.831 -4.243 7.987 1.00 14.42 H new ATOM 0 HG3 GLN A 12 -3.085 -2.753 8.530 1.00 14.42 H new ATOM 0 HE21 GLN A 12 -5.825 -4.954 8.958 1.00 14.31 H new ATOM 0 HE22 GLN A 12 -6.350 -4.315 10.520 1.00 14.31 H new ATOM 208 N ARG A 13 -4.802 -0.328 4.844 1.00 52.03 N ATOM 209 CA ARG A 13 -5.609 0.496 3.939 1.00 50.14 C ATOM 210 C ARG A 13 -5.102 0.365 2.490 1.00 61.41 C ATOM 211 O ARG A 13 -5.879 0.059 1.599 1.00 5.41 O ATOM 212 CB ARG A 13 -5.580 1.978 4.397 1.00 13.24 C ATOM 213 CG ARG A 13 -6.561 2.904 3.643 1.00 21.22 C ATOM 214 CD ARG A 13 -8.040 2.526 3.889 1.00 34.34 C ATOM 215 NE ARG A 13 -8.973 3.483 3.264 1.00 44.41 N ATOM 216 CZ ARG A 13 -9.327 4.674 3.781 1.00 63.14 C ATOM 217 NH1 ARG A 13 -8.837 5.094 4.947 1.00 41.52 N ATOM 218 NH2 ARG A 13 -10.180 5.441 3.126 1.00 61.04 N ATOM 0 H ARG A 13 -4.294 0.214 5.543 1.00 52.03 H new ATOM 0 HA ARG A 13 -6.640 0.142 3.971 1.00 50.14 H new ATOM 0 HB2 ARG A 13 -5.808 2.020 5.462 1.00 13.24 H new ATOM 0 HB3 ARG A 13 -4.568 2.364 4.272 1.00 13.24 H new ATOM 0 HG2 ARG A 13 -6.396 3.935 3.956 1.00 21.22 H new ATOM 0 HG3 ARG A 13 -6.350 2.858 2.575 1.00 21.22 H new ATOM 0 HD2 ARG A 13 -8.228 1.528 3.494 1.00 34.34 H new ATOM 0 HD3 ARG A 13 -8.229 2.485 4.962 1.00 34.34 H new ATOM 0 HE ARG A 13 -9.383 3.221 2.368 1.00 44.41 H new ATOM 0 HH11 ARG A 13 -8.181 4.509 5.465 1.00 41.52 H new ATOM 0 HH12 ARG A 13 -9.118 6.000 5.322 1.00 41.52 H new ATOM 0 HH21 ARG A 13 -10.566 5.129 2.235 1.00 61.04 H new ATOM 0 HH22 ARG A 13 -10.453 6.345 3.512 1.00 61.04 H new ATOM 232 N ILE A 14 -3.782 0.549 2.295 1.00 24.23 N ATOM 233 CA ILE A 14 -3.136 0.479 0.965 1.00 24.15 C ATOM 234 C ILE A 14 -3.278 -0.943 0.362 1.00 60.32 C ATOM 235 O ILE A 14 -3.627 -1.097 -0.814 1.00 33.30 O ATOM 236 CB ILE A 14 -1.613 0.888 1.063 1.00 32.00 C ATOM 237 CG1 ILE A 14 -1.451 2.332 1.630 1.00 71.43 C ATOM 238 CG2 ILE A 14 -0.901 0.777 -0.299 1.00 71.42 C ATOM 239 CD1 ILE A 14 -0.008 2.770 1.819 1.00 21.04 C ATOM 0 H ILE A 14 -3.131 0.751 3.054 1.00 24.23 H new ATOM 0 HA ILE A 14 -3.640 1.185 0.304 1.00 24.15 H new ATOM 0 HB ILE A 14 -1.143 0.185 1.751 1.00 32.00 H new ATOM 0 HG12 ILE A 14 -1.946 3.032 0.957 1.00 71.43 H new ATOM 0 HG13 ILE A 14 -1.966 2.393 2.589 1.00 71.43 H new ATOM 0 HG21 ILE A 14 0.144 1.067 -0.188 1.00 71.42 H new ATOM 0 HG22 ILE A 14 -0.956 -0.252 -0.656 1.00 71.42 H new ATOM 0 HG23 ILE A 14 -1.386 1.437 -1.018 1.00 71.42 H new ATOM 0 HD11 ILE A 14 0.015 3.785 2.216 1.00 21.04 H new ATOM 0 HD12 ILE A 14 0.489 2.096 2.517 1.00 21.04 H new ATOM 0 HD13 ILE A 14 0.509 2.744 0.860 1.00 21.04 H new ATOM 251 N ALA A 15 -3.041 -1.963 1.213 1.00 30.51 N ATOM 252 CA ALA A 15 -3.116 -3.391 0.836 1.00 50.13 C ATOM 253 C ALA A 15 -4.526 -3.788 0.361 1.00 45.31 C ATOM 254 O ALA A 15 -4.698 -4.353 -0.720 1.00 31.23 O ATOM 255 CB ALA A 15 -2.712 -4.259 2.032 1.00 73.41 C ATOM 0 H ALA A 15 -2.790 -1.817 2.191 1.00 30.51 H new ATOM 0 HA ALA A 15 -2.429 -3.552 0.005 1.00 50.13 H new ATOM 0 HB1 ALA A 15 -2.768 -5.311 1.753 1.00 73.41 H new ATOM 0 HB2 ALA A 15 -1.692 -4.016 2.330 1.00 73.41 H new ATOM 0 HB3 ALA A 15 -3.389 -4.068 2.865 1.00 73.41 H new ATOM 261 N LEU A 16 -5.514 -3.435 1.185 1.00 63.50 N ATOM 262 CA LEU A 16 -6.924 -3.849 1.008 1.00 1.41 C ATOM 263 C LEU A 16 -7.614 -3.040 -0.102 1.00 14.33 C ATOM 264 O LEU A 16 -8.470 -3.578 -0.816 1.00 15.34 O ATOM 265 CB LEU A 16 -7.709 -3.710 2.341 1.00 11.12 C ATOM 266 CG LEU A 16 -7.272 -4.664 3.501 1.00 31.11 C ATOM 267 CD1 LEU A 16 -7.996 -4.310 4.819 1.00 61.41 C ATOM 268 CD2 LEU A 16 -7.489 -6.144 3.117 1.00 11.41 C ATOM 0 H LEU A 16 -5.365 -2.847 2.005 1.00 63.50 H new ATOM 0 HA LEU A 16 -6.922 -4.897 0.709 1.00 1.41 H new ATOM 0 HB2 LEU A 16 -7.614 -2.681 2.689 1.00 11.12 H new ATOM 0 HB3 LEU A 16 -8.766 -3.881 2.136 1.00 11.12 H new ATOM 0 HG LEU A 16 -6.204 -4.521 3.666 1.00 31.11 H new ATOM 0 HD11 LEU A 16 -7.672 -4.990 5.606 1.00 61.41 H new ATOM 0 HD12 LEU A 16 -7.755 -3.285 5.103 1.00 61.41 H new ATOM 0 HD13 LEU A 16 -9.073 -4.404 4.679 1.00 61.41 H new ATOM 0 HD21 LEU A 16 -7.176 -6.784 3.942 1.00 11.41 H new ATOM 0 HD22 LEU A 16 -8.545 -6.314 2.906 1.00 11.41 H new ATOM 0 HD23 LEU A 16 -6.899 -6.380 2.231 1.00 11.41 H new ATOM 280 N LEU A 17 -7.251 -1.744 -0.229 1.00 25.14 N ATOM 281 CA LEU A 17 -7.772 -0.887 -1.308 1.00 23.44 C ATOM 282 C LEU A 17 -7.258 -1.383 -2.664 1.00 1.31 C ATOM 283 O LEU A 17 -8.052 -1.547 -3.571 1.00 1.34 O ATOM 284 CB LEU A 17 -7.425 0.618 -1.118 1.00 61.15 C ATOM 285 CG LEU A 17 -8.193 1.400 -0.006 1.00 13.40 C ATOM 286 CD1 LEU A 17 -7.743 2.881 0.028 1.00 75.01 C ATOM 287 CD2 LEU A 17 -9.721 1.280 -0.185 1.00 34.42 C ATOM 0 H LEU A 17 -6.602 -1.274 0.402 1.00 25.14 H new ATOM 0 HA LEU A 17 -8.859 -0.961 -1.272 1.00 23.44 H new ATOM 0 HB2 LEU A 17 -6.358 0.693 -0.906 1.00 61.15 H new ATOM 0 HB3 LEU A 17 -7.598 1.126 -2.067 1.00 61.15 H new ATOM 0 HG LEU A 17 -7.945 0.949 0.955 1.00 13.40 H new ATOM 0 HD11 LEU A 17 -8.289 3.409 0.809 1.00 75.01 H new ATOM 0 HD12 LEU A 17 -6.674 2.932 0.235 1.00 75.01 H new ATOM 0 HD13 LEU A 17 -7.948 3.346 -0.936 1.00 75.01 H new ATOM 0 HD21 LEU A 17 -10.225 1.836 0.606 1.00 34.42 H new ATOM 0 HD22 LEU A 17 -10.007 1.688 -1.154 1.00 34.42 H new ATOM 0 HD23 LEU A 17 -10.012 0.231 -0.133 1.00 34.42 H new ATOM 299 N SER A 18 -5.932 -1.653 -2.777 1.00 74.34 N ATOM 300 CA SER A 18 -5.321 -2.157 -4.036 1.00 75.12 C ATOM 301 C SER A 18 -5.839 -3.564 -4.383 1.00 52.55 C ATOM 302 O SER A 18 -5.905 -3.928 -5.563 1.00 20.24 O ATOM 303 CB SER A 18 -3.793 -2.186 -3.932 1.00 20.51 C ATOM 304 OG SER A 18 -3.377 -3.103 -2.939 1.00 44.50 O ATOM 0 H SER A 18 -5.266 -1.531 -2.014 1.00 74.34 H new ATOM 0 HA SER A 18 -5.610 -1.470 -4.832 1.00 75.12 H new ATOM 0 HB2 SER A 18 -3.363 -2.464 -4.894 1.00 20.51 H new ATOM 0 HB3 SER A 18 -3.421 -1.190 -3.693 1.00 20.51 H new ATOM 0 HG SER A 18 -4.113 -3.262 -2.312 1.00 44.50 H new ATOM 310 N GLN A 19 -6.172 -4.352 -3.333 1.00 44.35 N ATOM 311 CA GLN A 19 -6.856 -5.644 -3.480 1.00 54.12 C ATOM 312 C GLN A 19 -8.202 -5.428 -4.183 1.00 55.34 C ATOM 313 O GLN A 19 -8.494 -6.072 -5.191 1.00 12.32 O ATOM 314 CB GLN A 19 -7.061 -6.318 -2.094 1.00 62.34 C ATOM 315 CG GLN A 19 -7.707 -7.719 -2.143 1.00 61.31 C ATOM 316 CD GLN A 19 -6.833 -8.756 -2.854 1.00 0.33 C ATOM 317 OE1 GLN A 19 -6.930 -8.961 -4.065 1.00 43.40 O ATOM 318 NE2 GLN A 19 -5.956 -9.406 -2.105 1.00 74.41 N ATOM 0 H GLN A 19 -5.971 -4.104 -2.364 1.00 44.35 H new ATOM 0 HA GLN A 19 -6.239 -6.309 -4.085 1.00 54.12 H new ATOM 0 HB2 GLN A 19 -6.094 -6.397 -1.598 1.00 62.34 H new ATOM 0 HB3 GLN A 19 -7.683 -5.668 -1.478 1.00 62.34 H new ATOM 0 HG2 GLN A 19 -7.907 -8.057 -1.126 1.00 61.31 H new ATOM 0 HG3 GLN A 19 -8.669 -7.652 -2.652 1.00 61.31 H new ATOM 0 HE21 GLN A 19 -5.899 -9.215 -1.105 1.00 74.41 H new ATOM 0 HE22 GLN A 19 -5.337 -10.098 -2.528 1.00 74.41 H new ATOM 327 N SER A 20 -8.969 -4.450 -3.666 1.00 31.12 N ATOM 328 CA SER A 20 -10.268 -4.066 -4.219 1.00 75.05 C ATOM 329 C SER A 20 -10.124 -3.529 -5.657 1.00 14.31 C ATOM 330 O SER A 20 -10.902 -3.904 -6.522 1.00 62.02 O ATOM 331 CB SER A 20 -10.939 -3.014 -3.316 1.00 62.34 C ATOM 332 OG SER A 20 -11.091 -3.503 -1.994 1.00 65.40 O ATOM 0 H SER A 20 -8.697 -3.905 -2.848 1.00 31.12 H new ATOM 0 HA SER A 20 -10.898 -4.954 -4.255 1.00 75.05 H new ATOM 0 HB2 SER A 20 -10.339 -2.104 -3.304 1.00 62.34 H new ATOM 0 HB3 SER A 20 -11.914 -2.748 -3.724 1.00 62.34 H new ATOM 0 HG SER A 20 -10.214 -3.545 -1.558 1.00 65.40 H new ATOM 338 N LEU A 21 -9.077 -2.703 -5.899 1.00 72.42 N ATOM 339 CA LEU A 21 -8.827 -2.059 -7.206 1.00 2.22 C ATOM 340 C LEU A 21 -8.554 -3.125 -8.275 1.00 64.12 C ATOM 341 O LEU A 21 -9.033 -3.018 -9.406 1.00 32.32 O ATOM 342 CB LEU A 21 -7.628 -1.057 -7.134 1.00 12.22 C ATOM 343 CG LEU A 21 -7.782 0.161 -6.171 1.00 44.10 C ATOM 344 CD1 LEU A 21 -6.559 1.102 -6.246 1.00 13.22 C ATOM 345 CD2 LEU A 21 -9.100 0.917 -6.421 1.00 20.44 C ATOM 0 H LEU A 21 -8.383 -2.466 -5.190 1.00 72.42 H new ATOM 0 HA LEU A 21 -9.720 -1.495 -7.475 1.00 2.22 H new ATOM 0 HB2 LEU A 21 -6.739 -1.613 -6.838 1.00 12.22 H new ATOM 0 HB3 LEU A 21 -7.445 -0.674 -8.138 1.00 12.22 H new ATOM 0 HG LEU A 21 -7.824 -0.231 -5.155 1.00 44.10 H new ATOM 0 HD11 LEU A 21 -6.701 1.939 -5.562 1.00 13.22 H new ATOM 0 HD12 LEU A 21 -5.660 0.553 -5.966 1.00 13.22 H new ATOM 0 HD13 LEU A 21 -6.452 1.479 -7.263 1.00 13.22 H new ATOM 0 HD21 LEU A 21 -9.173 1.759 -5.732 1.00 20.44 H new ATOM 0 HD22 LEU A 21 -9.120 1.285 -7.447 1.00 20.44 H new ATOM 0 HD23 LEU A 21 -9.942 0.243 -6.261 1.00 20.44 H new ATOM 357 N LEU A 22 -7.797 -4.167 -7.879 1.00 1.44 N ATOM 358 CA LEU A 22 -7.468 -5.299 -8.751 1.00 41.03 C ATOM 359 C LEU A 22 -8.746 -6.070 -9.127 1.00 60.44 C ATOM 360 O LEU A 22 -9.043 -6.220 -10.314 1.00 40.24 O ATOM 361 CB LEU A 22 -6.444 -6.240 -8.066 1.00 71.43 C ATOM 362 CG LEU A 22 -5.979 -7.463 -8.923 1.00 4.31 C ATOM 363 CD1 LEU A 22 -5.295 -7.014 -10.234 1.00 33.42 C ATOM 364 CD2 LEU A 22 -5.069 -8.397 -8.107 1.00 63.14 C ATOM 0 H LEU A 22 -7.399 -4.242 -6.943 1.00 1.44 H new ATOM 0 HA LEU A 22 -7.014 -4.912 -9.663 1.00 41.03 H new ATOM 0 HB2 LEU A 22 -5.566 -5.655 -7.792 1.00 71.43 H new ATOM 0 HB3 LEU A 22 -6.881 -6.612 -7.140 1.00 71.43 H new ATOM 0 HG LEU A 22 -6.870 -8.026 -9.201 1.00 4.31 H new ATOM 0 HD11 LEU A 22 -4.986 -7.891 -10.802 1.00 33.42 H new ATOM 0 HD12 LEU A 22 -5.996 -6.426 -10.827 1.00 33.42 H new ATOM 0 HD13 LEU A 22 -4.420 -6.407 -9.999 1.00 33.42 H new ATOM 0 HD21 LEU A 22 -4.761 -9.238 -8.728 1.00 63.14 H new ATOM 0 HD22 LEU A 22 -4.187 -7.848 -7.776 1.00 63.14 H new ATOM 0 HD23 LEU A 22 -5.613 -8.767 -7.238 1.00 63.14 H new ATOM 376 N GLU A 23 -9.510 -6.503 -8.091 1.00 14.15 N ATOM 377 CA GLU A 23 -10.762 -7.280 -8.256 1.00 14.22 C ATOM 378 C GLU A 23 -11.750 -6.556 -9.188 1.00 63.21 C ATOM 379 O GLU A 23 -12.240 -7.129 -10.162 1.00 13.42 O ATOM 380 CB GLU A 23 -11.436 -7.525 -6.882 1.00 33.12 C ATOM 381 CG GLU A 23 -10.596 -8.333 -5.879 1.00 3.03 C ATOM 382 CD GLU A 23 -11.287 -8.457 -4.514 1.00 70.05 C ATOM 383 OE1 GLU A 23 -11.244 -7.484 -3.722 1.00 33.34 O ATOM 384 OE2 GLU A 23 -11.906 -9.514 -4.237 1.00 74.41 O ATOM 0 H GLU A 23 -9.273 -6.321 -7.116 1.00 14.15 H new ATOM 0 HA GLU A 23 -10.496 -8.237 -8.705 1.00 14.22 H new ATOM 0 HB2 GLU A 23 -11.678 -6.560 -6.436 1.00 33.12 H new ATOM 0 HB3 GLU A 23 -12.379 -8.046 -7.045 1.00 33.12 H new ATOM 0 HG2 GLU A 23 -10.410 -9.328 -6.282 1.00 3.03 H new ATOM 0 HG3 GLU A 23 -9.625 -7.854 -5.751 1.00 3.03 H new ATOM 391 N LEU A 24 -11.984 -5.272 -8.879 1.00 41.23 N ATOM 392 CA LEU A 24 -12.934 -4.415 -9.603 1.00 2.42 C ATOM 393 C LEU A 24 -12.498 -4.218 -11.064 1.00 44.24 C ATOM 394 O LEU A 24 -13.327 -4.278 -11.958 1.00 44.14 O ATOM 395 CB LEU A 24 -13.083 -3.053 -8.873 1.00 43.01 C ATOM 396 CG LEU A 24 -13.708 -3.116 -7.444 1.00 65.23 C ATOM 397 CD1 LEU A 24 -13.615 -1.752 -6.730 1.00 32.53 C ATOM 398 CD2 LEU A 24 -15.157 -3.649 -7.487 1.00 25.32 C ATOM 0 H LEU A 24 -11.513 -4.794 -8.110 1.00 41.23 H new ATOM 0 HA LEU A 24 -13.906 -4.908 -9.617 1.00 2.42 H new ATOM 0 HB2 LEU A 24 -12.098 -2.592 -8.799 1.00 43.01 H new ATOM 0 HB3 LEU A 24 -13.697 -2.396 -9.490 1.00 43.01 H new ATOM 0 HG LEU A 24 -13.124 -3.825 -6.857 1.00 65.23 H new ATOM 0 HD11 LEU A 24 -14.059 -1.830 -5.738 1.00 32.53 H new ATOM 0 HD12 LEU A 24 -12.569 -1.460 -6.638 1.00 32.53 H new ATOM 0 HD13 LEU A 24 -14.151 -1.001 -7.310 1.00 32.53 H new ATOM 0 HD21 LEU A 24 -15.563 -3.681 -6.476 1.00 25.32 H new ATOM 0 HD22 LEU A 24 -15.769 -2.990 -8.104 1.00 25.32 H new ATOM 0 HD23 LEU A 24 -15.163 -4.653 -7.912 1.00 25.32 H new ATOM 410 N ALA A 25 -11.182 -4.040 -11.287 1.00 25.12 N ATOM 411 CA ALA A 25 -10.601 -3.906 -12.644 1.00 70.01 C ATOM 412 C ALA A 25 -10.880 -5.159 -13.501 1.00 51.41 C ATOM 413 O ALA A 25 -11.201 -5.052 -14.691 1.00 33.45 O ATOM 414 CB ALA A 25 -9.094 -3.665 -12.546 1.00 52.43 C ATOM 0 H ALA A 25 -10.492 -3.985 -10.538 1.00 25.12 H new ATOM 0 HA ALA A 25 -11.074 -3.053 -13.130 1.00 70.01 H new ATOM 0 HB1 ALA A 25 -8.675 -3.568 -13.548 1.00 52.43 H new ATOM 0 HB2 ALA A 25 -8.908 -2.750 -11.984 1.00 52.43 H new ATOM 0 HB3 ALA A 25 -8.623 -4.506 -12.036 1.00 52.43 H new ATOM 420 N GLN A 26 -10.763 -6.337 -12.854 1.00 1.02 N ATOM 421 CA GLN A 26 -11.074 -7.649 -13.465 1.00 60.32 C ATOM 422 C GLN A 26 -12.575 -7.753 -13.818 1.00 34.45 C ATOM 423 O GLN A 26 -12.950 -8.359 -14.827 1.00 2.42 O ATOM 424 CB GLN A 26 -10.684 -8.788 -12.481 1.00 34.31 C ATOM 425 CG GLN A 26 -9.193 -8.805 -12.075 1.00 14.50 C ATOM 426 CD GLN A 26 -8.887 -9.731 -10.891 1.00 73.20 C ATOM 427 OE1 GLN A 26 -9.731 -9.967 -10.024 1.00 62.33 O ATOM 428 NE2 GLN A 26 -7.678 -10.254 -10.833 1.00 4.15 N ATOM 0 H GLN A 26 -10.448 -6.407 -11.886 1.00 1.02 H new ATOM 0 HA GLN A 26 -10.499 -7.746 -14.386 1.00 60.32 H new ATOM 0 HB2 GLN A 26 -11.291 -8.696 -11.580 1.00 34.31 H new ATOM 0 HB3 GLN A 26 -10.934 -9.746 -12.937 1.00 34.31 H new ATOM 0 HG2 GLN A 26 -8.596 -9.116 -12.932 1.00 14.50 H new ATOM 0 HG3 GLN A 26 -8.883 -7.791 -11.822 1.00 14.50 H new ATOM 0 HE21 GLN A 26 -6.996 -10.044 -11.562 1.00 4.15 H new ATOM 0 HE22 GLN A 26 -7.425 -10.868 -10.059 1.00 4.15 H new ATOM 437 N ARG A 27 -13.417 -7.152 -12.959 1.00 3.42 N ATOM 438 CA ARG A 27 -14.889 -7.126 -13.126 1.00 63.43 C ATOM 439 C ARG A 27 -15.343 -6.009 -14.094 1.00 74.11 C ATOM 440 O ARG A 27 -16.526 -5.933 -14.433 1.00 34.43 O ATOM 441 CB ARG A 27 -15.549 -6.951 -11.729 1.00 31.13 C ATOM 442 CG ARG A 27 -15.151 -8.052 -10.716 1.00 61.33 C ATOM 443 CD ARG A 27 -15.527 -7.715 -9.260 1.00 72.41 C ATOM 444 NE ARG A 27 -14.866 -8.630 -8.310 1.00 4.40 N ATOM 445 CZ ARG A 27 -15.321 -8.955 -7.090 1.00 40.42 C ATOM 446 NH1 ARG A 27 -16.462 -8.441 -6.625 1.00 41.14 N ATOM 447 NH2 ARG A 27 -14.616 -9.794 -6.337 1.00 1.04 N ATOM 0 H ARG A 27 -13.097 -6.666 -12.121 1.00 3.42 H new ATOM 0 HA ARG A 27 -15.207 -8.069 -13.570 1.00 63.43 H new ATOM 0 HB2 ARG A 27 -15.271 -5.978 -11.324 1.00 31.13 H new ATOM 0 HB3 ARG A 27 -16.633 -6.950 -11.845 1.00 31.13 H new ATOM 0 HG2 ARG A 27 -15.634 -8.987 -11.000 1.00 61.33 H new ATOM 0 HG3 ARG A 27 -14.075 -8.217 -10.776 1.00 61.33 H new ATOM 0 HD2 ARG A 27 -15.241 -6.687 -9.037 1.00 72.41 H new ATOM 0 HD3 ARG A 27 -16.608 -7.779 -9.137 1.00 72.41 H new ATOM 0 HE ARG A 27 -13.986 -9.053 -8.606 1.00 4.40 H new ATOM 0 HH11 ARG A 27 -17.000 -7.792 -7.199 1.00 41.14 H new ATOM 0 HH12 ARG A 27 -16.795 -8.697 -5.696 1.00 41.14 H new ATOM 0 HH21 ARG A 27 -13.741 -10.182 -6.689 1.00 1.04 H new ATOM 0 HH22 ARG A 27 -14.950 -10.049 -5.408 1.00 1.04 H new ATOM 461 N GLY A 28 -14.399 -5.145 -14.530 1.00 1.14 N ATOM 462 CA GLY A 28 -14.706 -4.036 -15.454 1.00 44.11 C ATOM 463 C GLY A 28 -15.230 -2.789 -14.756 1.00 65.13 C ATOM 464 O GLY A 28 -15.694 -1.853 -15.409 1.00 61.44 O ATOM 0 H GLY A 28 -13.418 -5.197 -14.255 1.00 1.14 H new ATOM 0 HA2 GLY A 28 -13.805 -3.779 -16.012 1.00 44.11 H new ATOM 0 HA3 GLY A 28 -15.445 -4.373 -16.180 1.00 44.11 H new ATOM 468 N GLU A 29 -15.150 -2.788 -13.425 1.00 13.20 N ATOM 469 CA GLU A 29 -15.591 -1.683 -12.563 1.00 3.32 C ATOM 470 C GLU A 29 -14.480 -0.620 -12.406 1.00 42.44 C ATOM 471 O GLU A 29 -14.119 -0.236 -11.282 1.00 61.51 O ATOM 472 CB GLU A 29 -15.996 -2.261 -11.183 1.00 45.35 C ATOM 473 CG GLU A 29 -17.106 -3.326 -11.221 1.00 0.42 C ATOM 474 CD GLU A 29 -18.423 -2.786 -11.793 1.00 64.13 C ATOM 475 OE1 GLU A 29 -18.809 -3.166 -12.912 1.00 51.44 O ATOM 476 OE2 GLU A 29 -19.064 -1.945 -11.127 1.00 52.34 O ATOM 0 H GLU A 29 -14.767 -3.574 -12.900 1.00 13.20 H new ATOM 0 HA GLU A 29 -16.448 -1.189 -13.021 1.00 3.32 H new ATOM 0 HB2 GLU A 29 -15.113 -2.696 -10.715 1.00 45.35 H new ATOM 0 HB3 GLU A 29 -16.323 -1.440 -10.545 1.00 45.35 H new ATOM 0 HG2 GLU A 29 -16.773 -4.172 -11.823 1.00 0.42 H new ATOM 0 HG3 GLU A 29 -17.279 -3.701 -10.212 1.00 0.42 H new ATOM 483 N TRP A 30 -13.977 -0.120 -13.548 1.00 24.10 N ATOM 484 CA TRP A 30 -12.868 0.851 -13.590 1.00 54.11 C ATOM 485 C TRP A 30 -13.259 2.193 -12.947 1.00 64.24 C ATOM 486 O TRP A 30 -12.396 2.879 -12.409 1.00 31.42 O ATOM 487 CB TRP A 30 -12.383 1.078 -15.041 1.00 51.00 C ATOM 488 CG TRP A 30 -11.804 -0.156 -15.690 1.00 13.05 C ATOM 489 CD1 TRP A 30 -12.439 -1.031 -16.527 1.00 11.13 C ATOM 490 CD2 TRP A 30 -10.464 -0.652 -15.538 1.00 24.15 C ATOM 491 NE1 TRP A 30 -11.579 -2.031 -16.901 1.00 31.33 N ATOM 492 CE2 TRP A 30 -10.365 -1.822 -16.311 1.00 3.14 C ATOM 493 CE3 TRP A 30 -9.341 -0.220 -14.825 1.00 70.43 C ATOM 494 CZ2 TRP A 30 -9.190 -2.562 -16.395 1.00 34.21 C ATOM 495 CZ3 TRP A 30 -8.176 -0.958 -14.907 1.00 71.32 C ATOM 496 CH2 TRP A 30 -8.106 -2.113 -15.690 1.00 74.32 C ATOM 0 H TRP A 30 -14.328 -0.378 -14.470 1.00 24.10 H new ATOM 0 HA TRP A 30 -12.050 0.425 -13.009 1.00 54.11 H new ATOM 0 HB2 TRP A 30 -13.219 1.435 -15.642 1.00 51.00 H new ATOM 0 HB3 TRP A 30 -11.630 1.866 -15.043 1.00 51.00 H new ATOM 0 HD1 TRP A 30 -13.467 -0.947 -16.847 1.00 11.13 H new ATOM 0 HE1 TRP A 30 -11.809 -2.807 -17.521 1.00 31.33 H new ATOM 0 HE3 TRP A 30 -9.384 0.674 -14.221 1.00 70.43 H new ATOM 0 HZ2 TRP A 30 -9.135 -3.458 -16.995 1.00 34.21 H new ATOM 0 HZ3 TRP A 30 -7.304 -0.637 -14.356 1.00 71.32 H new ATOM 0 HH2 TRP A 30 -7.178 -2.663 -15.740 1.00 74.32 H new ATOM 507 N ASP A 31 -14.566 2.539 -12.997 1.00 14.21 N ATOM 508 CA ASP A 31 -15.102 3.786 -12.392 1.00 42.01 C ATOM 509 C ASP A 31 -14.826 3.811 -10.883 1.00 42.13 C ATOM 510 O ASP A 31 -14.472 4.850 -10.324 1.00 3.32 O ATOM 511 CB ASP A 31 -16.629 3.919 -12.635 1.00 61.53 C ATOM 512 CG ASP A 31 -17.002 3.902 -14.120 1.00 31.44 C ATOM 513 OD1 ASP A 31 -17.012 4.977 -14.756 1.00 74.44 O ATOM 514 OD2 ASP A 31 -17.263 2.805 -14.671 1.00 70.42 O ATOM 0 H ASP A 31 -15.277 1.968 -13.454 1.00 14.21 H new ATOM 0 HA ASP A 31 -14.597 4.625 -12.870 1.00 42.01 H new ATOM 0 HB2 ASP A 31 -17.145 3.104 -12.127 1.00 61.53 H new ATOM 0 HB3 ASP A 31 -16.983 4.848 -12.188 1.00 61.53 H new ATOM 519 N LEU A 32 -14.974 2.630 -10.252 1.00 3.53 N ATOM 520 CA LEU A 32 -14.737 2.449 -8.814 1.00 55.52 C ATOM 521 C LEU A 32 -13.241 2.615 -8.476 1.00 2.34 C ATOM 522 O LEU A 32 -12.916 3.090 -7.393 1.00 71.40 O ATOM 523 CB LEU A 32 -15.276 1.072 -8.346 1.00 54.40 C ATOM 524 CG LEU A 32 -16.809 0.838 -8.540 1.00 1.13 C ATOM 525 CD1 LEU A 32 -17.226 -0.558 -8.048 1.00 3.14 C ATOM 526 CD2 LEU A 32 -17.645 1.935 -7.855 1.00 74.11 C ATOM 0 H LEU A 32 -15.262 1.776 -10.729 1.00 3.53 H new ATOM 0 HA LEU A 32 -15.281 3.224 -8.273 1.00 55.52 H new ATOM 0 HB2 LEU A 32 -14.738 0.291 -8.883 1.00 54.40 H new ATOM 0 HB3 LEU A 32 -15.041 0.952 -7.289 1.00 54.40 H new ATOM 0 HG LEU A 32 -17.010 0.893 -9.610 1.00 1.13 H new ATOM 0 HD11 LEU A 32 -18.298 -0.691 -8.196 1.00 3.14 H new ATOM 0 HD12 LEU A 32 -16.685 -1.319 -8.611 1.00 3.14 H new ATOM 0 HD13 LEU A 32 -16.991 -0.655 -6.988 1.00 3.14 H new ATOM 0 HD21 LEU A 32 -18.705 1.736 -8.013 1.00 74.11 H new ATOM 0 HD22 LEU A 32 -17.432 1.940 -6.786 1.00 74.11 H new ATOM 0 HD23 LEU A 32 -17.390 2.906 -8.281 1.00 74.11 H new ATOM 538 N LEU A 33 -12.342 2.244 -9.425 1.00 72.54 N ATOM 539 CA LEU A 33 -10.886 2.522 -9.295 1.00 21.43 C ATOM 540 C LEU A 33 -10.634 4.038 -9.327 1.00 24.51 C ATOM 541 O LEU A 33 -9.854 4.554 -8.530 1.00 32.14 O ATOM 542 CB LEU A 33 -10.023 1.841 -10.408 1.00 34.44 C ATOM 543 CG LEU A 33 -9.732 0.318 -10.237 1.00 42.43 C ATOM 544 CD1 LEU A 33 -10.986 -0.539 -10.458 1.00 20.41 C ATOM 545 CD2 LEU A 33 -8.564 -0.129 -11.146 1.00 22.03 C ATOM 0 H LEU A 33 -12.597 1.755 -10.283 1.00 72.54 H new ATOM 0 HA LEU A 33 -10.579 2.097 -8.339 1.00 21.43 H new ATOM 0 HB2 LEU A 33 -10.526 1.986 -11.364 1.00 34.44 H new ATOM 0 HB3 LEU A 33 -9.069 2.365 -10.467 1.00 34.44 H new ATOM 0 HG LEU A 33 -9.427 0.160 -9.203 1.00 42.43 H new ATOM 0 HD11 LEU A 33 -10.735 -1.592 -10.329 1.00 20.41 H new ATOM 0 HD12 LEU A 33 -11.751 -0.257 -9.735 1.00 20.41 H new ATOM 0 HD13 LEU A 33 -11.364 -0.378 -11.468 1.00 20.41 H new ATOM 0 HD21 LEU A 33 -8.382 -1.195 -11.007 1.00 22.03 H new ATOM 0 HD22 LEU A 33 -8.820 0.063 -12.188 1.00 22.03 H new ATOM 0 HD23 LEU A 33 -7.665 0.430 -10.885 1.00 22.03 H new ATOM 557 N LEU A 34 -11.319 4.724 -10.261 1.00 23.44 N ATOM 558 CA LEU A 34 -11.154 6.175 -10.484 1.00 11.23 C ATOM 559 C LEU A 34 -11.649 6.993 -9.270 1.00 25.11 C ATOM 560 O LEU A 34 -11.093 8.045 -8.961 1.00 41.42 O ATOM 561 CB LEU A 34 -11.902 6.617 -11.775 1.00 70.21 C ATOM 562 CG LEU A 34 -11.555 5.841 -13.088 1.00 62.21 C ATOM 563 CD1 LEU A 34 -12.280 6.446 -14.309 1.00 52.24 C ATOM 564 CD2 LEU A 34 -10.030 5.738 -13.323 1.00 44.24 C ATOM 0 H LEU A 34 -12.002 4.290 -10.882 1.00 23.44 H new ATOM 0 HA LEU A 34 -10.089 6.372 -10.609 1.00 11.23 H new ATOM 0 HB2 LEU A 34 -12.973 6.523 -11.597 1.00 70.21 H new ATOM 0 HB3 LEU A 34 -11.698 7.675 -11.941 1.00 70.21 H new ATOM 0 HG LEU A 34 -11.920 4.822 -12.960 1.00 62.21 H new ATOM 0 HD11 LEU A 34 -12.017 5.883 -15.204 1.00 52.24 H new ATOM 0 HD12 LEU A 34 -13.358 6.397 -14.153 1.00 52.24 H new ATOM 0 HD13 LEU A 34 -11.978 7.486 -14.433 1.00 52.24 H new ATOM 0 HD21 LEU A 34 -9.840 5.191 -14.246 1.00 44.24 H new ATOM 0 HD22 LEU A 34 -9.605 6.739 -13.400 1.00 44.24 H new ATOM 0 HD23 LEU A 34 -9.568 5.212 -12.488 1.00 44.24 H new ATOM 576 N GLN A 35 -12.694 6.481 -8.590 1.00 23.02 N ATOM 577 CA GLN A 35 -13.252 7.099 -7.370 1.00 3.50 C ATOM 578 C GLN A 35 -12.312 6.864 -6.175 1.00 35.43 C ATOM 579 O GLN A 35 -11.883 7.823 -5.516 1.00 41.12 O ATOM 580 CB GLN A 35 -14.655 6.521 -7.073 1.00 54.25 C ATOM 581 CG GLN A 35 -15.716 6.857 -8.141 1.00 15.33 C ATOM 582 CD GLN A 35 -17.049 6.141 -7.916 1.00 20.21 C ATOM 583 OE1 GLN A 35 -17.090 5.034 -7.387 1.00 34.31 O ATOM 584 NE2 GLN A 35 -18.149 6.759 -8.309 1.00 32.14 N ATOM 0 H GLN A 35 -13.175 5.627 -8.871 1.00 23.02 H new ATOM 0 HA GLN A 35 -13.344 8.173 -7.532 1.00 3.50 H new ATOM 0 HB2 GLN A 35 -14.578 5.438 -6.982 1.00 54.25 H new ATOM 0 HB3 GLN A 35 -14.994 6.898 -6.108 1.00 54.25 H new ATOM 0 HG2 GLN A 35 -15.886 7.934 -8.148 1.00 15.33 H new ATOM 0 HG3 GLN A 35 -15.329 6.589 -9.124 1.00 15.33 H new ATOM 0 HE21 GLN A 35 -18.089 7.679 -8.746 1.00 32.14 H new ATOM 0 HE22 GLN A 35 -19.058 6.316 -8.175 1.00 32.14 H new ATOM 593 N GLN A 36 -11.974 5.576 -5.936 1.00 54.02 N ATOM 594 CA GLN A 36 -11.059 5.165 -4.843 1.00 33.05 C ATOM 595 C GLN A 36 -9.641 5.726 -5.049 1.00 21.11 C ATOM 596 O GLN A 36 -8.858 5.744 -4.101 1.00 32.34 O ATOM 597 CB GLN A 36 -10.977 3.614 -4.724 1.00 14.04 C ATOM 598 CG GLN A 36 -12.277 2.906 -4.289 1.00 73.23 C ATOM 599 CD GLN A 36 -12.763 3.279 -2.883 1.00 4.32 C ATOM 600 OE1 GLN A 36 -11.978 3.620 -1.997 1.00 72.44 O ATOM 601 NE2 GLN A 36 -14.063 3.175 -2.660 1.00 24.31 N ATOM 0 H GLN A 36 -12.325 4.795 -6.491 1.00 54.02 H new ATOM 0 HA GLN A 36 -11.473 5.576 -3.922 1.00 33.05 H new ATOM 0 HB2 GLN A 36 -10.670 3.210 -5.689 1.00 14.04 H new ATOM 0 HB3 GLN A 36 -10.192 3.364 -4.010 1.00 14.04 H new ATOM 0 HG2 GLN A 36 -13.063 3.143 -5.006 1.00 73.23 H new ATOM 0 HG3 GLN A 36 -12.121 1.828 -4.332 1.00 73.23 H new ATOM 0 HE21 GLN A 36 -14.689 2.890 -3.414 1.00 24.31 H new ATOM 0 HE22 GLN A 36 -14.440 3.380 -1.734 1.00 24.31 H new ATOM 610 N GLU A 37 -9.332 6.150 -6.305 1.00 72.35 N ATOM 611 CA GLU A 37 -8.036 6.736 -6.694 1.00 2.24 C ATOM 612 C GLU A 37 -7.606 7.840 -5.726 1.00 62.22 C ATOM 613 O GLU A 37 -6.605 7.683 -5.060 1.00 12.33 O ATOM 614 CB GLU A 37 -8.106 7.301 -8.135 1.00 2.44 C ATOM 615 CG GLU A 37 -6.781 7.879 -8.673 1.00 24.12 C ATOM 616 CD GLU A 37 -6.956 8.630 -10.004 1.00 30.32 C ATOM 617 OE1 GLU A 37 -6.995 9.881 -9.987 1.00 51.30 O ATOM 618 OE2 GLU A 37 -7.076 7.977 -11.066 1.00 14.12 O ATOM 0 H GLU A 37 -9.992 6.090 -7.081 1.00 72.35 H new ATOM 0 HA GLU A 37 -7.293 5.940 -6.655 1.00 2.24 H new ATOM 0 HB2 GLU A 37 -8.437 6.507 -8.805 1.00 2.44 H new ATOM 0 HB3 GLU A 37 -8.865 8.082 -8.166 1.00 2.44 H new ATOM 0 HG2 GLU A 37 -6.358 8.557 -7.932 1.00 24.12 H new ATOM 0 HG3 GLU A 37 -6.065 7.069 -8.810 1.00 24.12 H new ATOM 625 N VAL A 38 -8.422 8.915 -5.617 1.00 33.24 N ATOM 626 CA VAL A 38 -8.077 10.120 -4.821 1.00 2.32 C ATOM 627 C VAL A 38 -7.873 9.772 -3.327 1.00 4.53 C ATOM 628 O VAL A 38 -6.935 10.267 -2.689 1.00 70.23 O ATOM 629 CB VAL A 38 -9.166 11.249 -4.982 1.00 5.33 C ATOM 630 CG1 VAL A 38 -8.783 12.523 -4.187 1.00 42.53 C ATOM 631 CG2 VAL A 38 -9.393 11.584 -6.477 1.00 11.34 C ATOM 0 H VAL A 38 -9.332 8.973 -6.074 1.00 33.24 H new ATOM 0 HA VAL A 38 -7.134 10.502 -5.211 1.00 2.32 H new ATOM 0 HB VAL A 38 -10.100 10.868 -4.569 1.00 5.33 H new ATOM 0 HG11 VAL A 38 -9.555 13.281 -4.320 1.00 42.53 H new ATOM 0 HG12 VAL A 38 -8.693 12.278 -3.129 1.00 42.53 H new ATOM 0 HG13 VAL A 38 -7.831 12.907 -4.552 1.00 42.53 H new ATOM 0 HG21 VAL A 38 -10.148 12.365 -6.564 1.00 11.34 H new ATOM 0 HG22 VAL A 38 -8.459 11.932 -6.918 1.00 11.34 H new ATOM 0 HG23 VAL A 38 -9.732 10.691 -7.002 1.00 11.34 H new ATOM 641 N SER A 39 -8.744 8.885 -2.803 1.00 3.03 N ATOM 642 CA SER A 39 -8.643 8.365 -1.428 1.00 3.13 C ATOM 643 C SER A 39 -7.325 7.582 -1.233 1.00 63.43 C ATOM 644 O SER A 39 -6.653 7.720 -0.206 1.00 55.44 O ATOM 645 CB SER A 39 -9.856 7.461 -1.116 1.00 2.04 C ATOM 646 OG SER A 39 -11.068 8.170 -1.269 1.00 32.21 O ATOM 0 H SER A 39 -9.537 8.510 -3.324 1.00 3.03 H new ATOM 0 HA SER A 39 -8.642 9.208 -0.738 1.00 3.13 H new ATOM 0 HB2 SER A 39 -9.850 6.596 -1.780 1.00 2.04 H new ATOM 0 HB3 SER A 39 -9.779 7.081 -0.097 1.00 2.04 H new ATOM 0 HG SER A 39 -11.822 7.577 -1.068 1.00 32.21 H new ATOM 652 N TYR A 40 -6.957 6.807 -2.275 1.00 3.43 N ATOM 653 CA TYR A 40 -5.776 5.931 -2.279 1.00 45.34 C ATOM 654 C TYR A 40 -4.489 6.769 -2.334 1.00 2.43 C ATOM 655 O TYR A 40 -3.509 6.435 -1.664 1.00 70.14 O ATOM 656 CB TYR A 40 -5.831 4.960 -3.495 1.00 55.21 C ATOM 657 CG TYR A 40 -4.811 3.825 -3.438 1.00 40.41 C ATOM 658 CD1 TYR A 40 -5.164 2.597 -2.895 1.00 32.51 C ATOM 659 CD2 TYR A 40 -3.498 3.980 -3.903 1.00 53.21 C ATOM 660 CE1 TYR A 40 -4.271 1.563 -2.823 1.00 2.13 C ATOM 661 CE2 TYR A 40 -2.596 2.942 -3.828 1.00 11.12 C ATOM 662 CZ TYR A 40 -2.994 1.737 -3.282 1.00 55.14 C ATOM 663 OH TYR A 40 -2.116 0.696 -3.207 1.00 71.12 O ATOM 0 H TYR A 40 -7.483 6.775 -3.148 1.00 3.43 H new ATOM 0 HA TYR A 40 -5.775 5.346 -1.359 1.00 45.34 H new ATOM 0 HB2 TYR A 40 -6.831 4.531 -3.558 1.00 55.21 H new ATOM 0 HB3 TYR A 40 -5.671 5.532 -4.409 1.00 55.21 H new ATOM 0 HD1 TYR A 40 -6.167 2.455 -2.521 1.00 32.51 H new ATOM 0 HD2 TYR A 40 -3.190 4.925 -4.325 1.00 53.21 H new ATOM 0 HE1 TYR A 40 -4.573 0.614 -2.406 1.00 2.13 H new ATOM 0 HE2 TYR A 40 -1.587 3.069 -4.192 1.00 11.12 H new ATOM 0 HH TYR A 40 -1.207 1.043 -3.086 1.00 71.12 H new ATOM 673 N LEU A 41 -4.523 7.850 -3.151 1.00 63.01 N ATOM 674 CA LEU A 41 -3.395 8.786 -3.314 1.00 70.34 C ATOM 675 C LEU A 41 -3.094 9.425 -1.964 1.00 20.51 C ATOM 676 O LEU A 41 -1.966 9.385 -1.490 1.00 73.12 O ATOM 677 CB LEU A 41 -3.718 9.900 -4.355 1.00 61.22 C ATOM 678 CG LEU A 41 -4.177 9.432 -5.766 1.00 50.33 C ATOM 679 CD1 LEU A 41 -4.535 10.630 -6.667 1.00 63.12 C ATOM 680 CD2 LEU A 41 -3.148 8.494 -6.431 1.00 34.13 C ATOM 0 H LEU A 41 -5.338 8.094 -3.715 1.00 63.01 H new ATOM 0 HA LEU A 41 -2.532 8.230 -3.680 1.00 70.34 H new ATOM 0 HB2 LEU A 41 -4.498 10.538 -3.939 1.00 61.22 H new ATOM 0 HB3 LEU A 41 -2.830 10.520 -4.475 1.00 61.22 H new ATOM 0 HG LEU A 41 -5.086 8.846 -5.631 1.00 50.33 H new ATOM 0 HD11 LEU A 41 -4.852 10.268 -7.645 1.00 63.12 H new ATOM 0 HD12 LEU A 41 -5.345 11.199 -6.211 1.00 63.12 H new ATOM 0 HD13 LEU A 41 -3.662 11.272 -6.783 1.00 63.12 H new ATOM 0 HD21 LEU A 41 -3.512 8.193 -7.414 1.00 34.13 H new ATOM 0 HD22 LEU A 41 -2.197 9.016 -6.540 1.00 34.13 H new ATOM 0 HD23 LEU A 41 -3.007 7.609 -5.810 1.00 34.13 H new ATOM 692 N GLN A 42 -4.166 9.958 -1.342 1.00 44.25 N ATOM 693 CA GLN A 42 -4.112 10.589 -0.022 1.00 0.42 C ATOM 694 C GLN A 42 -3.538 9.611 1.026 1.00 73.25 C ATOM 695 O GLN A 42 -2.690 10.001 1.830 1.00 14.24 O ATOM 696 CB GLN A 42 -5.527 11.081 0.386 1.00 74.22 C ATOM 697 CG GLN A 42 -5.560 11.904 1.690 1.00 73.45 C ATOM 698 CD GLN A 42 -6.965 12.328 2.131 1.00 61.21 C ATOM 699 OE1 GLN A 42 -7.868 12.523 1.314 1.00 12.34 O ATOM 700 NE2 GLN A 42 -7.149 12.486 3.435 1.00 63.53 N ATOM 0 H GLN A 42 -5.100 9.959 -1.753 1.00 44.25 H new ATOM 0 HA GLN A 42 -3.447 11.451 -0.068 1.00 0.42 H new ATOM 0 HB2 GLN A 42 -5.936 11.687 -0.423 1.00 74.22 H new ATOM 0 HB3 GLN A 42 -6.181 10.216 0.499 1.00 74.22 H new ATOM 0 HG2 GLN A 42 -5.103 11.318 2.487 1.00 73.45 H new ATOM 0 HG3 GLN A 42 -4.948 12.796 1.559 1.00 73.45 H new ATOM 0 HE21 GLN A 42 -6.380 12.316 4.083 1.00 63.53 H new ATOM 0 HE22 GLN A 42 -8.060 12.777 3.790 1.00 63.53 H new ATOM 709 N SER A 43 -3.971 8.327 0.960 1.00 10.45 N ATOM 710 CA SER A 43 -3.504 7.274 1.882 1.00 64.13 C ATOM 711 C SER A 43 -1.983 7.059 1.749 1.00 62.40 C ATOM 712 O SER A 43 -1.230 7.379 2.675 1.00 42.03 O ATOM 713 CB SER A 43 -4.251 5.939 1.614 1.00 72.53 C ATOM 714 OG SER A 43 -5.646 6.062 1.835 1.00 42.03 O ATOM 0 H SER A 43 -4.648 8.000 0.271 1.00 10.45 H new ATOM 0 HA SER A 43 -3.721 7.602 2.898 1.00 64.13 H new ATOM 0 HB2 SER A 43 -4.072 5.623 0.586 1.00 72.53 H new ATOM 0 HB3 SER A 43 -3.848 5.161 2.262 1.00 72.53 H new ATOM 0 HG SER A 43 -6.035 6.649 1.153 1.00 42.03 H new ATOM 720 N ILE A 44 -1.551 6.626 0.544 1.00 24.32 N ATOM 721 CA ILE A 44 -0.174 6.159 0.283 1.00 60.54 C ATOM 722 C ILE A 44 0.854 7.294 0.477 1.00 4.45 C ATOM 723 O ILE A 44 1.957 7.061 0.993 1.00 23.34 O ATOM 724 CB ILE A 44 -0.056 5.508 -1.158 1.00 12.25 C ATOM 725 CG1 ILE A 44 1.324 4.805 -1.350 1.00 63.04 C ATOM 726 CG2 ILE A 44 -0.327 6.534 -2.287 1.00 22.32 C ATOM 727 CD1 ILE A 44 1.508 4.109 -2.689 1.00 64.21 C ATOM 0 H ILE A 44 -2.153 6.591 -0.279 1.00 24.32 H new ATOM 0 HA ILE A 44 0.057 5.385 1.015 1.00 60.54 H new ATOM 0 HB ILE A 44 -0.833 4.747 -1.228 1.00 12.25 H new ATOM 0 HG12 ILE A 44 2.113 5.548 -1.232 1.00 63.04 H new ATOM 0 HG13 ILE A 44 1.455 4.071 -0.555 1.00 63.04 H new ATOM 0 HG21 ILE A 44 -0.235 6.042 -3.255 1.00 22.32 H new ATOM 0 HG22 ILE A 44 -1.334 6.936 -2.179 1.00 22.32 H new ATOM 0 HG23 ILE A 44 0.397 7.346 -2.222 1.00 22.32 H new ATOM 0 HD11 ILE A 44 2.496 3.651 -2.728 1.00 64.21 H new ATOM 0 HD12 ILE A 44 0.746 3.339 -2.806 1.00 64.21 H new ATOM 0 HD13 ILE A 44 1.414 4.838 -3.494 1.00 64.21 H new ATOM 739 N GLU A 45 0.446 8.526 0.112 1.00 74.35 N ATOM 740 CA GLU A 45 1.252 9.732 0.318 1.00 5.45 C ATOM 741 C GLU A 45 1.418 10.011 1.813 1.00 64.13 C ATOM 742 O GLU A 45 2.545 10.178 2.261 1.00 40.13 O ATOM 743 CB GLU A 45 0.635 10.947 -0.417 1.00 23.21 C ATOM 744 CG GLU A 45 0.732 10.864 -1.956 1.00 13.13 C ATOM 745 CD GLU A 45 2.166 11.012 -2.505 1.00 52.21 C ATOM 746 OE1 GLU A 45 2.912 10.012 -2.561 1.00 44.03 O ATOM 747 OE2 GLU A 45 2.552 12.141 -2.888 1.00 71.43 O ATOM 0 H GLU A 45 -0.454 8.706 -0.334 1.00 74.35 H new ATOM 0 HA GLU A 45 2.241 9.563 -0.108 1.00 5.45 H new ATOM 0 HB2 GLU A 45 -0.414 11.036 -0.133 1.00 23.21 H new ATOM 0 HB3 GLU A 45 1.135 11.855 -0.080 1.00 23.21 H new ATOM 0 HG2 GLU A 45 0.326 9.907 -2.284 1.00 13.13 H new ATOM 0 HG3 GLU A 45 0.105 11.642 -2.391 1.00 13.13 H new ATOM 754 N THR A 46 0.291 9.995 2.579 1.00 50.15 N ATOM 755 CA THR A 46 0.319 10.202 4.048 1.00 41.22 C ATOM 756 C THR A 46 1.298 9.230 4.727 1.00 3.33 C ATOM 757 O THR A 46 2.046 9.638 5.607 1.00 32.30 O ATOM 758 CB THR A 46 -1.111 10.076 4.696 1.00 13.24 C ATOM 759 OG1 THR A 46 -1.951 11.121 4.187 1.00 32.00 O ATOM 760 CG2 THR A 46 -1.090 10.162 6.242 1.00 34.51 C ATOM 0 H THR A 46 -0.644 9.841 2.201 1.00 50.15 H new ATOM 0 HA THR A 46 0.666 11.222 4.212 1.00 41.22 H new ATOM 0 HB THR A 46 -1.494 9.090 4.431 1.00 13.24 H new ATOM 0 HG1 THR A 46 -2.330 10.846 3.326 1.00 32.00 H new ATOM 0 HG21 THR A 46 -2.106 10.068 6.625 1.00 34.51 H new ATOM 0 HG22 THR A 46 -0.475 9.356 6.643 1.00 34.51 H new ATOM 0 HG23 THR A 46 -0.674 11.122 6.547 1.00 34.51 H new ATOM 768 N VAL A 47 1.323 7.967 4.256 1.00 25.03 N ATOM 769 CA VAL A 47 2.182 6.908 4.829 1.00 54.34 C ATOM 770 C VAL A 47 3.674 7.178 4.554 1.00 41.14 C ATOM 771 O VAL A 47 4.496 7.129 5.472 1.00 45.04 O ATOM 772 CB VAL A 47 1.812 5.487 4.277 1.00 71.42 C ATOM 773 CG1 VAL A 47 2.569 4.376 5.039 1.00 43.12 C ATOM 774 CG2 VAL A 47 0.297 5.261 4.329 1.00 43.44 C ATOM 0 H VAL A 47 0.752 7.652 3.472 1.00 25.03 H new ATOM 0 HA VAL A 47 2.004 6.925 5.904 1.00 54.34 H new ATOM 0 HB VAL A 47 2.124 5.440 3.234 1.00 71.42 H new ATOM 0 HG11 VAL A 47 2.292 3.403 4.634 1.00 43.12 H new ATOM 0 HG12 VAL A 47 3.643 4.524 4.925 1.00 43.12 H new ATOM 0 HG13 VAL A 47 2.307 4.417 6.096 1.00 43.12 H new ATOM 0 HG21 VAL A 47 0.064 4.269 3.941 1.00 43.44 H new ATOM 0 HG22 VAL A 47 -0.047 5.338 5.360 1.00 43.44 H new ATOM 0 HG23 VAL A 47 -0.204 6.015 3.722 1.00 43.44 H new ATOM 784 N MET A 48 4.008 7.477 3.283 1.00 62.13 N ATOM 785 CA MET A 48 5.410 7.713 2.862 1.00 1.53 C ATOM 786 C MET A 48 5.919 9.103 3.315 1.00 20.23 C ATOM 787 O MET A 48 7.124 9.365 3.287 1.00 0.35 O ATOM 788 CB MET A 48 5.563 7.524 1.327 1.00 30.43 C ATOM 789 CG MET A 48 5.230 6.103 0.830 1.00 15.23 C ATOM 790 SD MET A 48 5.526 5.877 -0.940 1.00 34.42 S ATOM 791 CE MET A 48 4.396 7.066 -1.668 1.00 54.34 C ATOM 0 H MET A 48 3.328 7.562 2.527 1.00 62.13 H new ATOM 0 HA MET A 48 6.034 6.969 3.357 1.00 1.53 H new ATOM 0 HB2 MET A 48 4.914 8.236 0.818 1.00 30.43 H new ATOM 0 HB3 MET A 48 6.587 7.766 1.043 1.00 30.43 H new ATOM 0 HG2 MET A 48 5.828 5.381 1.386 1.00 15.23 H new ATOM 0 HG3 MET A 48 4.184 5.885 1.047 1.00 15.23 H new ATOM 0 HE1 MET A 48 3.947 6.639 -2.565 1.00 54.34 H new ATOM 0 HE2 MET A 48 3.613 7.310 -0.950 1.00 54.34 H new ATOM 0 HE3 MET A 48 4.941 7.972 -1.932 1.00 54.34 H new ATOM 801 N GLU A 49 4.984 9.982 3.728 1.00 11.14 N ATOM 802 CA GLU A 49 5.301 11.285 4.356 1.00 64.25 C ATOM 803 C GLU A 49 5.258 11.170 5.892 1.00 23.23 C ATOM 804 O GLU A 49 5.685 12.089 6.595 1.00 13.51 O ATOM 805 CB GLU A 49 4.310 12.380 3.868 1.00 34.54 C ATOM 806 CG GLU A 49 4.383 12.656 2.354 1.00 61.42 C ATOM 807 CD GLU A 49 3.382 13.718 1.876 1.00 75.13 C ATOM 808 OE1 GLU A 49 3.752 14.912 1.792 1.00 1.35 O ATOM 809 OE2 GLU A 49 2.223 13.366 1.572 1.00 13.13 O ATOM 0 H GLU A 49 3.983 9.809 3.636 1.00 11.14 H new ATOM 0 HA GLU A 49 6.310 11.572 4.059 1.00 64.25 H new ATOM 0 HB2 GLU A 49 3.295 12.078 4.124 1.00 34.54 H new ATOM 0 HB3 GLU A 49 4.512 13.306 4.407 1.00 34.54 H new ATOM 0 HG2 GLU A 49 5.392 12.979 2.100 1.00 61.42 H new ATOM 0 HG3 GLU A 49 4.200 11.727 1.814 1.00 61.42 H new ATOM 816 N LYS A 50 4.717 10.045 6.403 1.00 30.44 N ATOM 817 CA LYS A 50 4.656 9.763 7.846 1.00 30.31 C ATOM 818 C LYS A 50 5.950 9.080 8.270 1.00 51.40 C ATOM 819 O LYS A 50 6.407 8.142 7.601 1.00 40.22 O ATOM 820 CB LYS A 50 3.444 8.845 8.200 1.00 53.14 C ATOM 821 CG LYS A 50 3.129 8.727 9.711 1.00 11.51 C ATOM 822 CD LYS A 50 2.722 10.084 10.344 1.00 74.41 C ATOM 823 CE LYS A 50 1.461 10.696 9.694 1.00 55.22 C ATOM 824 NZ LYS A 50 1.113 12.020 10.277 1.00 54.11 N ATOM 0 H LYS A 50 4.311 9.309 5.825 1.00 30.44 H new ATOM 0 HA LYS A 50 4.528 10.706 8.377 1.00 30.31 H new ATOM 0 HB2 LYS A 50 2.559 9.224 7.689 1.00 53.14 H new ATOM 0 HB3 LYS A 50 3.637 7.847 7.806 1.00 53.14 H new ATOM 0 HG2 LYS A 50 2.323 8.007 9.855 1.00 11.51 H new ATOM 0 HG3 LYS A 50 4.003 8.335 10.231 1.00 11.51 H new ATOM 0 HD2 LYS A 50 2.543 9.943 11.410 1.00 74.41 H new ATOM 0 HD3 LYS A 50 3.550 10.786 10.250 1.00 74.41 H new ATOM 0 HE2 LYS A 50 1.624 10.805 8.622 1.00 55.22 H new ATOM 0 HE3 LYS A 50 0.621 10.013 9.821 1.00 55.22 H new ATOM 0 HZ1 LYS A 50 0.261 12.392 9.810 1.00 54.11 H new ATOM 0 HZ2 LYS A 50 0.931 11.914 11.296 1.00 54.11 H new ATOM 0 HZ3 LYS A 50 1.903 12.681 10.133 1.00 54.11 H new ATOM 838 N GLN A 51 6.533 9.556 9.365 1.00 52.43 N ATOM 839 CA GLN A 51 7.713 8.940 9.965 1.00 74.15 C ATOM 840 C GLN A 51 7.329 7.557 10.516 1.00 34.14 C ATOM 841 O GLN A 51 6.306 7.421 11.207 1.00 43.54 O ATOM 842 CB GLN A 51 8.261 9.816 11.110 1.00 14.22 C ATOM 843 CG GLN A 51 9.583 9.306 11.745 1.00 60.13 C ATOM 844 CD GLN A 51 9.653 9.577 13.242 1.00 31.43 C ATOM 845 OE1 GLN A 51 10.072 10.654 13.673 1.00 4.51 O ATOM 846 NE2 GLN A 51 9.248 8.595 14.044 1.00 54.53 N ATOM 0 H GLN A 51 6.201 10.382 9.863 1.00 52.43 H new ATOM 0 HA GLN A 51 8.488 8.840 9.205 1.00 74.15 H new ATOM 0 HB2 GLN A 51 8.422 10.825 10.731 1.00 14.22 H new ATOM 0 HB3 GLN A 51 7.503 9.886 11.890 1.00 14.22 H new ATOM 0 HG2 GLN A 51 9.678 8.235 11.568 1.00 60.13 H new ATOM 0 HG3 GLN A 51 10.428 9.786 11.252 1.00 60.13 H new ATOM 0 HE21 GLN A 51 8.908 7.719 13.646 1.00 54.53 H new ATOM 0 HE22 GLN A 51 9.277 8.718 15.056 1.00 54.53 H new ATOM 855 N THR A 52 8.129 6.550 10.181 1.00 72.10 N ATOM 856 CA THR A 52 7.954 5.195 10.691 1.00 15.21 C ATOM 857 C THR A 52 8.293 5.162 12.204 1.00 2.31 C ATOM 858 O THR A 52 9.365 5.655 12.603 1.00 21.24 O ATOM 859 CB THR A 52 8.865 4.212 9.899 1.00 65.02 C ATOM 860 OG1 THR A 52 8.666 4.417 8.489 1.00 50.30 O ATOM 861 CG2 THR A 52 8.584 2.741 10.242 1.00 2.42 C ATOM 0 H THR A 52 8.920 6.651 9.545 1.00 72.10 H new ATOM 0 HA THR A 52 6.917 4.885 10.560 1.00 15.21 H new ATOM 0 HB THR A 52 9.897 4.421 10.181 1.00 65.02 H new ATOM 0 HG1 THR A 52 7.738 4.205 8.255 1.00 50.30 H new ATOM 0 HG21 THR A 52 9.247 2.099 9.662 1.00 2.42 H new ATOM 0 HG22 THR A 52 8.758 2.576 11.305 1.00 2.42 H new ATOM 0 HG23 THR A 52 7.548 2.503 10.003 1.00 2.42 H new ATOM 869 N PRO A 53 7.369 4.633 13.078 1.00 33.14 N ATOM 870 CA PRO A 53 7.621 4.542 14.538 1.00 12.11 C ATOM 871 C PRO A 53 8.771 3.548 14.871 1.00 62.42 C ATOM 872 O PRO A 53 9.044 2.628 14.082 1.00 51.25 O ATOM 873 CB PRO A 53 6.249 4.064 15.104 1.00 71.13 C ATOM 874 CG PRO A 53 5.598 3.347 13.960 1.00 44.54 C ATOM 875 CD PRO A 53 6.021 4.107 12.721 1.00 24.50 C ATOM 0 HA PRO A 53 7.953 5.485 14.972 1.00 12.11 H new ATOM 0 HB2 PRO A 53 6.382 3.404 15.961 1.00 71.13 H new ATOM 0 HB3 PRO A 53 5.644 4.906 15.440 1.00 71.13 H new ATOM 0 HG2 PRO A 53 5.920 2.307 13.913 1.00 44.54 H new ATOM 0 HG3 PRO A 53 4.513 3.340 14.066 1.00 44.54 H new ATOM 0 HD2 PRO A 53 6.062 3.458 11.847 1.00 24.50 H new ATOM 0 HD3 PRO A 53 5.325 4.913 12.487 1.00 24.50 H new ATOM 883 N PRO A 54 9.465 3.721 16.042 1.00 64.34 N ATOM 884 CA PRO A 54 10.540 2.802 16.485 1.00 20.22 C ATOM 885 C PRO A 54 9.986 1.415 16.850 1.00 41.40 C ATOM 886 O PRO A 54 10.529 0.394 16.417 1.00 21.21 O ATOM 887 CB PRO A 54 11.159 3.513 17.726 1.00 31.45 C ATOM 888 CG PRO A 54 10.640 4.923 17.670 1.00 40.54 C ATOM 889 CD PRO A 54 9.281 4.827 17.017 1.00 75.10 C ATOM 0 HA PRO A 54 11.274 2.616 15.701 1.00 20.22 H new ATOM 0 HB2 PRO A 54 10.862 3.020 18.652 1.00 31.45 H new ATOM 0 HB3 PRO A 54 12.248 3.492 17.690 1.00 31.45 H new ATOM 0 HG2 PRO A 54 10.566 5.354 18.668 1.00 40.54 H new ATOM 0 HG3 PRO A 54 11.308 5.564 17.095 1.00 40.54 H new ATOM 0 HD2 PRO A 54 8.498 4.602 17.742 1.00 75.10 H new ATOM 0 HD3 PRO A 54 9.001 5.759 16.525 1.00 75.10 H new ATOM 897 N GLY A 55 8.899 1.420 17.655 1.00 3.44 N ATOM 898 CA GLY A 55 8.260 0.204 18.157 1.00 53.41 C ATOM 899 C GLY A 55 7.674 -0.680 17.054 1.00 62.35 C ATOM 900 O GLY A 55 6.487 -0.574 16.721 1.00 21.02 O ATOM 0 H GLY A 55 8.446 2.278 17.970 1.00 3.44 H new ATOM 0 HA2 GLY A 55 8.991 -0.373 18.724 1.00 53.41 H new ATOM 0 HA3 GLY A 55 7.465 0.481 18.850 1.00 53.41 H new ATOM 904 N ILE A 56 8.541 -1.535 16.477 1.00 41.11 N ATOM 905 CA ILE A 56 8.190 -2.505 15.426 1.00 53.00 C ATOM 906 C ILE A 56 8.811 -3.863 15.792 1.00 72.22 C ATOM 907 O ILE A 56 10.023 -4.060 15.660 1.00 70.05 O ATOM 908 CB ILE A 56 8.677 -2.029 13.990 1.00 54.24 C ATOM 909 CG1 ILE A 56 7.919 -0.730 13.559 1.00 21.44 C ATOM 910 CG2 ILE A 56 8.518 -3.149 12.918 1.00 21.42 C ATOM 911 CD1 ILE A 56 8.289 -0.195 12.190 1.00 75.42 C ATOM 0 H ILE A 56 9.527 -1.570 16.736 1.00 41.11 H new ATOM 0 HA ILE A 56 7.105 -2.591 15.371 1.00 53.00 H new ATOM 0 HB ILE A 56 9.741 -1.805 14.061 1.00 54.24 H new ATOM 0 HG12 ILE A 56 6.848 -0.930 13.577 1.00 21.44 H new ATOM 0 HG13 ILE A 56 8.110 0.047 14.300 1.00 21.44 H new ATOM 0 HG21 ILE A 56 8.863 -2.780 11.952 1.00 21.42 H new ATOM 0 HG22 ILE A 56 9.111 -4.017 13.208 1.00 21.42 H new ATOM 0 HG23 ILE A 56 7.469 -3.435 12.843 1.00 21.42 H new ATOM 0 HD11 ILE A 56 7.711 0.706 11.983 1.00 75.42 H new ATOM 0 HD12 ILE A 56 9.352 0.043 12.168 1.00 75.42 H new ATOM 0 HD13 ILE A 56 8.070 -0.949 11.434 1.00 75.42 H new ATOM 923 N THR A 57 7.978 -4.773 16.313 1.00 12.53 N ATOM 924 CA THR A 57 8.373 -6.155 16.626 1.00 62.25 C ATOM 925 C THR A 57 8.313 -7.028 15.359 1.00 14.04 C ATOM 926 O THR A 57 8.075 -6.517 14.255 1.00 64.10 O ATOM 927 CB THR A 57 7.438 -6.741 17.734 1.00 52.21 C ATOM 928 OG1 THR A 57 6.067 -6.605 17.329 1.00 11.34 O ATOM 929 CG2 THR A 57 7.649 -6.057 19.098 1.00 23.35 C ATOM 0 H THR A 57 7.002 -4.570 16.531 1.00 12.53 H new ATOM 0 HA THR A 57 9.398 -6.152 16.996 1.00 62.25 H new ATOM 0 HB THR A 57 7.691 -7.794 17.855 1.00 52.21 H new ATOM 0 HG1 THR A 57 5.483 -6.974 18.024 1.00 11.34 H new ATOM 0 HG21 THR A 57 6.977 -6.498 19.834 1.00 23.35 H new ATOM 0 HG22 THR A 57 8.681 -6.196 19.419 1.00 23.35 H new ATOM 0 HG23 THR A 57 7.438 -4.991 19.007 1.00 23.35 H new ATOM 937 N ARG A 58 8.524 -8.348 15.541 1.00 43.11 N ATOM 938 CA ARG A 58 8.499 -9.332 14.453 1.00 2.12 C ATOM 939 C ARG A 58 7.101 -9.395 13.809 1.00 22.52 C ATOM 940 O ARG A 58 6.988 -9.311 12.590 1.00 44.25 O ATOM 941 CB ARG A 58 8.929 -10.729 14.980 1.00 72.25 C ATOM 942 CG ARG A 58 8.952 -11.851 13.916 1.00 40.21 C ATOM 943 CD ARG A 58 9.926 -11.548 12.761 1.00 21.21 C ATOM 944 NE ARG A 58 9.882 -12.590 11.723 1.00 31.15 N ATOM 945 CZ ARG A 58 9.942 -12.378 10.401 1.00 22.13 C ATOM 946 NH1 ARG A 58 10.061 -11.145 9.905 1.00 72.05 N ATOM 947 NH2 ARG A 58 9.880 -13.409 9.573 1.00 43.21 N ATOM 0 H ARG A 58 8.717 -8.758 16.455 1.00 43.11 H new ATOM 0 HA ARG A 58 9.209 -9.021 13.687 1.00 2.12 H new ATOM 0 HB2 ARG A 58 9.923 -10.645 15.419 1.00 72.25 H new ATOM 0 HB3 ARG A 58 8.251 -11.023 15.781 1.00 72.25 H new ATOM 0 HG2 ARG A 58 9.236 -12.791 14.390 1.00 40.21 H new ATOM 0 HG3 ARG A 58 7.948 -11.987 13.514 1.00 40.21 H new ATOM 0 HD2 ARG A 58 9.677 -10.583 12.319 1.00 21.21 H new ATOM 0 HD3 ARG A 58 10.940 -11.467 13.152 1.00 21.21 H new ATOM 0 HE ARG A 58 9.799 -13.557 12.037 1.00 31.15 H new ATOM 0 HH11 ARG A 58 10.108 -10.344 10.535 1.00 72.05 H new ATOM 0 HH12 ARG A 58 10.105 -11.003 8.896 1.00 72.05 H new ATOM 0 HH21 ARG A 58 9.787 -14.355 9.943 1.00 43.21 H new ATOM 0 HH22 ARG A 58 9.925 -13.257 8.565 1.00 43.21 H new ATOM 961 N SER A 59 6.051 -9.509 14.653 1.00 64.12 N ATOM 962 CA SER A 59 4.644 -9.569 14.200 1.00 53.22 C ATOM 963 C SER A 59 4.272 -8.331 13.350 1.00 65.42 C ATOM 964 O SER A 59 3.637 -8.451 12.291 1.00 40.42 O ATOM 965 CB SER A 59 3.704 -9.666 15.422 1.00 12.13 C ATOM 966 OG SER A 59 4.055 -10.752 16.261 1.00 65.33 O ATOM 0 H SER A 59 6.156 -9.562 15.666 1.00 64.12 H new ATOM 0 HA SER A 59 4.528 -10.455 13.576 1.00 53.22 H new ATOM 0 HB2 SER A 59 3.747 -8.737 15.990 1.00 12.13 H new ATOM 0 HB3 SER A 59 2.675 -9.785 15.083 1.00 12.13 H new ATOM 0 HG SER A 59 3.443 -10.786 17.026 1.00 65.33 H new ATOM 972 N ILE A 60 4.707 -7.147 13.839 1.00 34.52 N ATOM 973 CA ILE A 60 4.483 -5.852 13.169 1.00 11.43 C ATOM 974 C ILE A 60 5.209 -5.819 11.814 1.00 1.55 C ATOM 975 O ILE A 60 4.640 -5.384 10.813 1.00 74.11 O ATOM 976 CB ILE A 60 4.947 -4.645 14.074 1.00 73.41 C ATOM 977 CG1 ILE A 60 4.125 -4.624 15.402 1.00 1.52 C ATOM 978 CG2 ILE A 60 4.843 -3.286 13.324 1.00 35.12 C ATOM 979 CD1 ILE A 60 4.500 -3.519 16.377 1.00 41.41 C ATOM 0 H ILE A 60 5.225 -7.066 14.714 1.00 34.52 H new ATOM 0 HA ILE A 60 3.412 -5.745 12.998 1.00 11.43 H new ATOM 0 HB ILE A 60 5.999 -4.790 14.318 1.00 73.41 H new ATOM 0 HG12 ILE A 60 3.068 -4.526 15.155 1.00 1.52 H new ATOM 0 HG13 ILE A 60 4.247 -5.585 15.902 1.00 1.52 H new ATOM 0 HG21 ILE A 60 5.172 -2.481 13.982 1.00 35.12 H new ATOM 0 HG22 ILE A 60 5.476 -3.311 12.437 1.00 35.12 H new ATOM 0 HG23 ILE A 60 3.809 -3.112 13.027 1.00 35.12 H new ATOM 0 HD11 ILE A 60 3.873 -3.590 17.266 1.00 41.41 H new ATOM 0 HD12 ILE A 60 5.547 -3.625 16.662 1.00 41.41 H new ATOM 0 HD13 ILE A 60 4.349 -2.549 15.903 1.00 41.41 H new ATOM 991 N GLN A 61 6.450 -6.335 11.801 1.00 21.52 N ATOM 992 CA GLN A 61 7.304 -6.401 10.603 1.00 52.04 C ATOM 993 C GLN A 61 6.649 -7.263 9.500 1.00 63.25 C ATOM 994 O GLN A 61 6.679 -6.897 8.321 1.00 23.23 O ATOM 995 CB GLN A 61 8.690 -6.972 10.998 1.00 25.34 C ATOM 996 CG GLN A 61 9.705 -7.088 9.847 1.00 52.21 C ATOM 997 CD GLN A 61 11.019 -7.750 10.269 1.00 71.40 C ATOM 998 OE1 GLN A 61 11.044 -8.612 11.152 1.00 55.32 O ATOM 999 NE2 GLN A 61 12.115 -7.371 9.629 1.00 43.33 N ATOM 0 H GLN A 61 6.894 -6.723 12.633 1.00 21.52 H new ATOM 0 HA GLN A 61 7.429 -5.396 10.199 1.00 52.04 H new ATOM 0 HB2 GLN A 61 9.118 -6.339 11.775 1.00 25.34 H new ATOM 0 HB3 GLN A 61 8.547 -7.960 11.435 1.00 25.34 H new ATOM 0 HG2 GLN A 61 9.260 -7.663 9.035 1.00 52.21 H new ATOM 0 HG3 GLN A 61 9.916 -6.093 9.455 1.00 52.21 H new ATOM 0 HE21 GLN A 61 12.061 -6.656 8.904 1.00 43.33 H new ATOM 0 HE22 GLN A 61 13.013 -7.794 9.861 1.00 43.33 H new ATOM 1008 N ASP A 62 6.043 -8.397 9.911 1.00 34.43 N ATOM 1009 CA ASP A 62 5.359 -9.330 8.990 1.00 24.14 C ATOM 1010 C ASP A 62 4.086 -8.708 8.396 1.00 51.41 C ATOM 1011 O ASP A 62 3.830 -8.851 7.196 1.00 22.04 O ATOM 1012 CB ASP A 62 5.016 -10.670 9.697 1.00 41.01 C ATOM 1013 CG ASP A 62 6.246 -11.571 9.914 1.00 30.10 C ATOM 1014 OD1 ASP A 62 6.712 -12.199 8.934 1.00 23.11 O ATOM 1015 OD2 ASP A 62 6.742 -11.672 11.053 1.00 73.55 O ATOM 0 H ASP A 62 6.014 -8.691 10.887 1.00 34.43 H new ATOM 0 HA ASP A 62 6.052 -9.534 8.174 1.00 24.14 H new ATOM 0 HB2 ASP A 62 4.554 -10.457 10.661 1.00 41.01 H new ATOM 0 HB3 ASP A 62 4.279 -11.209 9.102 1.00 41.01 H new ATOM 1020 N MET A 63 3.290 -8.026 9.245 1.00 12.51 N ATOM 1021 CA MET A 63 2.035 -7.375 8.802 1.00 43.01 C ATOM 1022 C MET A 63 2.324 -6.220 7.827 1.00 53.21 C ATOM 1023 O MET A 63 1.769 -6.191 6.727 1.00 54.41 O ATOM 1024 CB MET A 63 1.205 -6.883 10.017 1.00 24.11 C ATOM 1025 CG MET A 63 0.668 -8.017 10.899 1.00 13.21 C ATOM 1026 SD MET A 63 -0.368 -7.434 12.260 1.00 1.05 S ATOM 1027 CE MET A 63 0.784 -6.445 13.221 1.00 14.53 C ATOM 0 H MET A 63 3.491 -7.911 10.238 1.00 12.51 H new ATOM 0 HA MET A 63 1.443 -8.120 8.270 1.00 43.01 H new ATOM 0 HB2 MET A 63 1.824 -6.224 10.625 1.00 24.11 H new ATOM 0 HB3 MET A 63 0.366 -6.288 9.655 1.00 24.11 H new ATOM 0 HG2 MET A 63 0.091 -8.706 10.282 1.00 13.21 H new ATOM 0 HG3 MET A 63 1.508 -8.580 11.306 1.00 13.21 H new ATOM 0 HE1 MET A 63 0.262 -6.000 14.068 1.00 14.53 H new ATOM 0 HE2 MET A 63 1.592 -7.079 13.585 1.00 14.53 H new ATOM 0 HE3 MET A 63 1.197 -5.655 12.593 1.00 14.53 H new ATOM 1037 N VAL A 64 3.232 -5.311 8.235 1.00 43.03 N ATOM 1038 CA VAL A 64 3.626 -4.136 7.440 1.00 44.44 C ATOM 1039 C VAL A 64 4.226 -4.570 6.086 1.00 1.01 C ATOM 1040 O VAL A 64 3.639 -4.274 5.043 1.00 64.42 O ATOM 1041 CB VAL A 64 4.624 -3.208 8.248 1.00 52.15 C ATOM 1042 CG1 VAL A 64 5.234 -2.100 7.361 1.00 64.42 C ATOM 1043 CG2 VAL A 64 3.914 -2.585 9.483 1.00 73.21 C ATOM 0 H VAL A 64 3.714 -5.374 9.132 1.00 43.03 H new ATOM 0 HA VAL A 64 2.731 -3.548 7.234 1.00 44.44 H new ATOM 0 HB VAL A 64 5.444 -3.839 8.592 1.00 52.15 H new ATOM 0 HG11 VAL A 64 5.912 -1.489 7.957 1.00 64.42 H new ATOM 0 HG12 VAL A 64 5.785 -2.555 6.538 1.00 64.42 H new ATOM 0 HG13 VAL A 64 4.437 -1.474 6.961 1.00 64.42 H new ATOM 0 HG21 VAL A 64 4.616 -1.951 10.025 1.00 73.21 H new ATOM 0 HG22 VAL A 64 3.066 -1.986 9.151 1.00 73.21 H new ATOM 0 HG23 VAL A 64 3.562 -3.380 10.140 1.00 73.21 H new ATOM 1053 N ALA A 65 5.349 -5.332 6.117 1.00 22.11 N ATOM 1054 CA ALA A 65 6.064 -5.755 4.889 1.00 55.24 C ATOM 1055 C ALA A 65 5.204 -6.689 4.024 1.00 1.13 C ATOM 1056 O ALA A 65 5.310 -6.664 2.800 1.00 12.20 O ATOM 1057 CB ALA A 65 7.409 -6.428 5.222 1.00 42.02 C ATOM 0 H ALA A 65 5.778 -5.665 6.980 1.00 22.11 H new ATOM 0 HA ALA A 65 6.265 -4.850 4.316 1.00 55.24 H new ATOM 0 HB1 ALA A 65 7.906 -6.725 4.298 1.00 42.02 H new ATOM 0 HB2 ALA A 65 8.042 -5.726 5.765 1.00 42.02 H new ATOM 0 HB3 ALA A 65 7.232 -7.309 5.839 1.00 42.02 H new ATOM 1063 N GLY A 66 4.348 -7.500 4.679 1.00 14.14 N ATOM 1064 CA GLY A 66 3.435 -8.407 3.976 1.00 15.41 C ATOM 1065 C GLY A 66 2.388 -7.652 3.170 1.00 30.25 C ATOM 1066 O GLY A 66 2.053 -8.048 2.047 1.00 1.32 O ATOM 0 H GLY A 66 4.275 -7.541 5.696 1.00 14.14 H new ATOM 0 HA2 GLY A 66 4.007 -9.053 3.311 1.00 15.41 H new ATOM 0 HA3 GLY A 66 2.938 -9.054 4.699 1.00 15.41 H new ATOM 1070 N TYR A 67 1.895 -6.542 3.749 1.00 52.14 N ATOM 1071 CA TYR A 67 0.910 -5.662 3.105 1.00 30.42 C ATOM 1072 C TYR A 67 1.541 -4.802 2.010 1.00 34.43 C ATOM 1073 O TYR A 67 0.877 -4.540 0.999 1.00 24.44 O ATOM 1074 CB TYR A 67 0.180 -4.787 4.160 1.00 75.42 C ATOM 1075 CG TYR A 67 -0.892 -5.546 4.966 1.00 10.53 C ATOM 1076 CD1 TYR A 67 -1.621 -6.603 4.393 1.00 50.24 C ATOM 1077 CD2 TYR A 67 -1.212 -5.188 6.269 1.00 10.54 C ATOM 1078 CE1 TYR A 67 -2.608 -7.257 5.088 1.00 41.31 C ATOM 1079 CE2 TYR A 67 -2.196 -5.852 6.966 1.00 74.11 C ATOM 1080 CZ TYR A 67 -2.897 -6.879 6.372 1.00 63.10 C ATOM 1081 OH TYR A 67 -3.889 -7.539 7.069 1.00 43.32 O ATOM 0 H TYR A 67 2.171 -6.231 4.680 1.00 52.14 H new ATOM 0 HA TYR A 67 0.170 -6.299 2.620 1.00 30.42 H new ATOM 0 HB2 TYR A 67 0.917 -4.377 4.850 1.00 75.42 H new ATOM 0 HB3 TYR A 67 -0.289 -3.942 3.655 1.00 75.42 H new ATOM 0 HD1 TYR A 67 -1.399 -6.908 3.381 1.00 50.24 H new ATOM 0 HD2 TYR A 67 -0.681 -4.376 6.743 1.00 10.54 H new ATOM 0 HE1 TYR A 67 -3.154 -8.065 4.624 1.00 41.31 H new ATOM 0 HE2 TYR A 67 -2.420 -5.567 7.983 1.00 74.11 H new ATOM 0 HH TYR A 67 -3.971 -7.153 7.966 1.00 43.32 H new ATOM 1091 N ILE A 68 2.820 -4.381 2.204 1.00 21.45 N ATOM 1092 CA ILE A 68 3.569 -3.650 1.161 1.00 23.34 C ATOM 1093 C ILE A 68 3.709 -4.565 -0.065 1.00 61.43 C ATOM 1094 O ILE A 68 3.289 -4.202 -1.156 1.00 51.33 O ATOM 1095 CB ILE A 68 5.008 -3.159 1.605 1.00 14.34 C ATOM 1096 CG1 ILE A 68 4.963 -2.349 2.940 1.00 45.53 C ATOM 1097 CG2 ILE A 68 5.659 -2.307 0.474 1.00 34.53 C ATOM 1098 CD1 ILE A 68 6.318 -1.884 3.457 1.00 34.22 C ATOM 0 H ILE A 68 3.344 -4.536 3.065 1.00 21.45 H new ATOM 0 HA ILE A 68 2.999 -2.747 0.943 1.00 23.34 H new ATOM 0 HB ILE A 68 5.618 -4.045 1.783 1.00 14.34 H new ATOM 0 HG12 ILE A 68 4.327 -1.476 2.796 1.00 45.53 H new ATOM 0 HG13 ILE A 68 4.491 -2.965 3.705 1.00 45.53 H new ATOM 0 HG21 ILE A 68 6.648 -1.975 0.791 1.00 34.53 H new ATOM 0 HG22 ILE A 68 5.751 -2.911 -0.429 1.00 34.53 H new ATOM 0 HG23 ILE A 68 5.034 -1.438 0.267 1.00 34.53 H new ATOM 0 HD11 ILE A 68 6.183 -1.331 4.387 1.00 34.22 H new ATOM 0 HD12 ILE A 68 6.955 -2.750 3.639 1.00 34.22 H new ATOM 0 HD13 ILE A 68 6.788 -1.238 2.716 1.00 34.22 H new ATOM 1110 N LYS A 69 4.224 -5.793 0.181 1.00 24.41 N ATOM 1111 CA LYS A 69 4.457 -6.827 -0.851 1.00 75.13 C ATOM 1112 C LYS A 69 3.155 -7.079 -1.641 1.00 53.11 C ATOM 1113 O LYS A 69 3.151 -7.052 -2.879 1.00 51.15 O ATOM 1114 CB LYS A 69 4.978 -8.136 -0.157 1.00 51.42 C ATOM 1115 CG LYS A 69 5.734 -9.150 -1.066 1.00 12.43 C ATOM 1116 CD LYS A 69 4.805 -9.986 -1.973 1.00 73.43 C ATOM 1117 CE LYS A 69 5.571 -10.951 -2.892 1.00 65.10 C ATOM 1118 NZ LYS A 69 4.655 -11.659 -3.827 1.00 41.13 N ATOM 0 H LYS A 69 4.493 -6.096 1.117 1.00 24.41 H new ATOM 0 HA LYS A 69 5.213 -6.491 -1.560 1.00 75.13 H new ATOM 0 HB2 LYS A 69 5.641 -7.849 0.659 1.00 51.42 H new ATOM 0 HB3 LYS A 69 4.126 -8.648 0.290 1.00 51.42 H new ATOM 0 HG2 LYS A 69 6.443 -8.606 -1.690 1.00 12.43 H new ATOM 0 HG3 LYS A 69 6.315 -9.824 -0.437 1.00 12.43 H new ATOM 0 HD2 LYS A 69 4.116 -10.556 -1.350 1.00 73.43 H new ATOM 0 HD3 LYS A 69 4.202 -9.314 -2.583 1.00 73.43 H new ATOM 0 HE2 LYS A 69 6.317 -10.397 -3.462 1.00 65.10 H new ATOM 0 HE3 LYS A 69 6.110 -11.680 -2.287 1.00 65.10 H new ATOM 0 HZ1 LYS A 69 4.982 -12.638 -3.958 1.00 41.13 H new ATOM 0 HZ2 LYS A 69 3.693 -11.665 -3.432 1.00 41.13 H new ATOM 0 HZ3 LYS A 69 4.650 -11.170 -4.745 1.00 41.13 H new ATOM 1132 N GLN A 70 2.055 -7.253 -0.883 1.00 60.54 N ATOM 1133 CA GLN A 70 0.715 -7.497 -1.429 1.00 62.34 C ATOM 1134 C GLN A 70 0.289 -6.402 -2.416 1.00 31.21 C ATOM 1135 O GLN A 70 -0.025 -6.693 -3.575 1.00 3.10 O ATOM 1136 CB GLN A 70 -0.330 -7.622 -0.286 1.00 2.11 C ATOM 1137 CG GLN A 70 -1.781 -7.760 -0.787 1.00 12.41 C ATOM 1138 CD GLN A 70 -2.813 -8.001 0.307 1.00 44.41 C ATOM 1139 OE1 GLN A 70 -2.663 -7.560 1.442 1.00 51.25 O ATOM 1140 NE2 GLN A 70 -3.876 -8.708 -0.035 1.00 4.11 N ATOM 0 H GLN A 70 2.077 -7.227 0.136 1.00 60.54 H new ATOM 0 HA GLN A 70 0.759 -8.439 -1.976 1.00 62.34 H new ATOM 0 HB2 GLN A 70 -0.083 -8.488 0.328 1.00 2.11 H new ATOM 0 HB3 GLN A 70 -0.259 -6.745 0.357 1.00 2.11 H new ATOM 0 HG2 GLN A 70 -2.051 -6.854 -1.329 1.00 12.41 H new ATOM 0 HG3 GLN A 70 -1.828 -8.584 -1.499 1.00 12.41 H new ATOM 0 HE21 GLN A 70 -3.969 -9.060 -0.988 1.00 4.11 H new ATOM 0 HE22 GLN A 70 -4.603 -8.902 0.654 1.00 4.11 H new ATOM 1149 N THR A 71 0.343 -5.139 -1.961 1.00 64.35 N ATOM 1150 CA THR A 71 -0.194 -4.011 -2.720 1.00 64.40 C ATOM 1151 C THR A 71 0.687 -3.705 -3.947 1.00 13.21 C ATOM 1152 O THR A 71 0.181 -3.219 -4.983 1.00 52.33 O ATOM 1153 CB THR A 71 -0.401 -2.761 -1.798 1.00 74.21 C ATOM 1154 OG1 THR A 71 -0.949 -1.687 -2.543 1.00 34.43 O ATOM 1155 CG2 THR A 71 0.866 -2.265 -1.104 1.00 53.22 C ATOM 0 H THR A 71 0.757 -4.879 -1.066 1.00 64.35 H new ATOM 0 HA THR A 71 -1.178 -4.285 -3.100 1.00 64.40 H new ATOM 0 HB THR A 71 -1.082 -3.098 -1.017 1.00 74.21 H new ATOM 0 HG1 THR A 71 -1.890 -1.566 -2.298 1.00 34.43 H new ATOM 0 HG21 THR A 71 0.628 -1.398 -0.488 1.00 53.22 H new ATOM 0 HG22 THR A 71 1.270 -3.058 -0.474 1.00 53.22 H new ATOM 0 HG23 THR A 71 1.606 -1.985 -1.854 1.00 53.22 H new ATOM 1163 N LEU A 72 1.995 -4.053 -3.837 1.00 33.11 N ATOM 1164 CA LEU A 72 2.949 -3.962 -4.951 1.00 44.32 C ATOM 1165 C LEU A 72 2.510 -4.885 -6.088 1.00 63.44 C ATOM 1166 O LEU A 72 2.308 -4.410 -7.200 1.00 40.14 O ATOM 1167 CB LEU A 72 4.410 -4.313 -4.520 1.00 12.31 C ATOM 1168 CG LEU A 72 5.081 -3.370 -3.475 1.00 23.42 C ATOM 1169 CD1 LEU A 72 6.576 -3.697 -3.276 1.00 71.31 C ATOM 1170 CD2 LEU A 72 4.853 -1.894 -3.828 1.00 1.14 C ATOM 0 H LEU A 72 2.408 -4.403 -2.972 1.00 33.11 H new ATOM 0 HA LEU A 72 2.951 -2.926 -5.289 1.00 44.32 H new ATOM 0 HB2 LEU A 72 4.411 -5.325 -4.114 1.00 12.31 H new ATOM 0 HB3 LEU A 72 5.034 -4.328 -5.414 1.00 12.31 H new ATOM 0 HG LEU A 72 4.596 -3.551 -2.516 1.00 23.42 H new ATOM 0 HD11 LEU A 72 7.003 -3.016 -2.540 1.00 71.31 H new ATOM 0 HD12 LEU A 72 6.680 -4.723 -2.924 1.00 71.31 H new ATOM 0 HD13 LEU A 72 7.103 -3.583 -4.224 1.00 71.31 H new ATOM 0 HD21 LEU A 72 5.333 -1.263 -3.080 1.00 1.14 H new ATOM 0 HD22 LEU A 72 5.280 -1.684 -4.809 1.00 1.14 H new ATOM 0 HD23 LEU A 72 3.783 -1.685 -3.846 1.00 1.14 H new ATOM 1182 N ASP A 73 2.329 -6.194 -5.771 1.00 42.12 N ATOM 1183 CA ASP A 73 1.908 -7.225 -6.759 1.00 33.12 C ATOM 1184 C ASP A 73 0.585 -6.852 -7.453 1.00 53.11 C ATOM 1185 O ASP A 73 0.519 -6.822 -8.685 1.00 4.14 O ATOM 1186 CB ASP A 73 1.750 -8.632 -6.096 1.00 22.32 C ATOM 1187 CG ASP A 73 3.072 -9.333 -5.756 1.00 74.32 C ATOM 1188 OD1 ASP A 73 3.316 -10.470 -6.226 1.00 40.11 O ATOM 1189 OD2 ASP A 73 3.872 -8.762 -5.007 1.00 2.31 O ATOM 0 H ASP A 73 2.469 -6.563 -4.831 1.00 42.12 H new ATOM 0 HA ASP A 73 2.702 -7.266 -7.505 1.00 33.12 H new ATOM 0 HB2 ASP A 73 1.166 -8.524 -5.182 1.00 22.32 H new ATOM 0 HB3 ASP A 73 1.177 -9.272 -6.767 1.00 22.32 H new ATOM 1194 N ASN A 74 -0.444 -6.546 -6.633 1.00 74.22 N ATOM 1195 CA ASN A 74 -1.818 -6.272 -7.106 1.00 61.11 C ATOM 1196 C ASN A 74 -1.851 -5.096 -8.084 1.00 33.11 C ATOM 1197 O ASN A 74 -2.314 -5.230 -9.235 1.00 42.22 O ATOM 1198 CB ASN A 74 -2.776 -6.003 -5.906 1.00 1.55 C ATOM 1199 CG ASN A 74 -3.013 -7.236 -5.028 1.00 25.31 C ATOM 1200 OD1 ASN A 74 -2.123 -8.062 -4.817 1.00 44.22 O ATOM 1201 ND2 ASN A 74 -4.232 -7.397 -4.548 1.00 21.44 N ATOM 0 H ASN A 74 -0.344 -6.482 -5.620 1.00 74.22 H new ATOM 0 HA ASN A 74 -2.162 -7.160 -7.635 1.00 61.11 H new ATOM 0 HB2 ASN A 74 -2.362 -5.203 -5.292 1.00 1.55 H new ATOM 0 HB3 ASN A 74 -3.733 -5.648 -6.288 1.00 1.55 H new ATOM 0 HD21 ASN A 74 -4.455 -8.220 -3.988 1.00 21.44 H new ATOM 0 HD22 ASN A 74 -4.951 -6.699 -4.737 1.00 21.44 H new ATOM 1208 N GLU A 75 -1.319 -3.942 -7.646 1.00 51.34 N ATOM 1209 CA GLU A 75 -1.358 -2.743 -8.480 1.00 60.11 C ATOM 1210 C GLU A 75 -0.294 -2.810 -9.598 1.00 22.13 C ATOM 1211 O GLU A 75 -0.368 -2.022 -10.528 1.00 41.22 O ATOM 1212 CB GLU A 75 -1.267 -1.430 -7.660 1.00 44.44 C ATOM 1213 CG GLU A 75 -1.953 -0.225 -8.360 1.00 11.43 C ATOM 1214 CD GLU A 75 -1.810 1.100 -7.609 1.00 64.32 C ATOM 1215 OE1 GLU A 75 -1.130 2.027 -8.121 1.00 43.33 O ATOM 1216 OE2 GLU A 75 -2.335 1.200 -6.489 1.00 41.32 O ATOM 0 H GLU A 75 -0.868 -3.821 -6.739 1.00 51.34 H new ATOM 0 HA GLU A 75 -2.338 -2.721 -8.956 1.00 60.11 H new ATOM 0 HB2 GLU A 75 -1.727 -1.586 -6.684 1.00 44.44 H new ATOM 0 HB3 GLU A 75 -0.218 -1.191 -7.483 1.00 44.44 H new ATOM 0 HG2 GLU A 75 -1.532 -0.111 -9.359 1.00 11.43 H new ATOM 0 HG3 GLU A 75 -3.013 -0.447 -8.485 1.00 11.43 H new ATOM 1223 N GLN A 76 0.703 -3.732 -9.491 1.00 30.32 N ATOM 1224 CA GLN A 76 1.660 -3.999 -10.598 1.00 32.33 C ATOM 1225 C GLN A 76 0.941 -4.699 -11.767 1.00 3.13 C ATOM 1226 O GLN A 76 1.211 -4.417 -12.948 1.00 32.40 O ATOM 1227 CB GLN A 76 2.865 -4.857 -10.142 1.00 0.22 C ATOM 1228 CG GLN A 76 3.969 -5.032 -11.214 1.00 43.55 C ATOM 1229 CD GLN A 76 5.184 -5.843 -10.748 1.00 35.45 C ATOM 1230 OE1 GLN A 76 6.312 -5.596 -11.187 1.00 45.34 O ATOM 1231 NE2 GLN A 76 4.968 -6.835 -9.890 1.00 22.52 N ATOM 0 H GLN A 76 0.863 -4.297 -8.657 1.00 30.32 H new ATOM 0 HA GLN A 76 2.046 -3.033 -10.924 1.00 32.33 H new ATOM 0 HB2 GLN A 76 3.306 -4.400 -9.256 1.00 0.22 H new ATOM 0 HB3 GLN A 76 2.503 -5.842 -9.847 1.00 0.22 H new ATOM 0 HG2 GLN A 76 3.536 -5.519 -12.087 1.00 43.55 H new ATOM 0 HG3 GLN A 76 4.307 -4.046 -11.534 1.00 43.55 H new ATOM 0 HE21 GLN A 76 4.025 -7.015 -9.545 1.00 22.52 H new ATOM 0 HE22 GLN A 76 5.745 -7.417 -9.577 1.00 22.52 H new ATOM 1240 N LEU A 77 0.017 -5.616 -11.417 1.00 35.22 N ATOM 1241 CA LEU A 77 -0.899 -6.242 -12.385 1.00 63.34 C ATOM 1242 C LEU A 77 -1.757 -5.153 -13.040 1.00 23.42 C ATOM 1243 O LEU A 77 -1.991 -5.175 -14.253 1.00 41.53 O ATOM 1244 CB LEU A 77 -1.792 -7.303 -11.688 1.00 44.12 C ATOM 1245 CG LEU A 77 -1.039 -8.516 -11.064 1.00 13.12 C ATOM 1246 CD1 LEU A 77 -2.002 -9.438 -10.291 1.00 31.02 C ATOM 1247 CD2 LEU A 77 -0.261 -9.297 -12.141 1.00 0.14 C ATOM 0 H LEU A 77 -0.113 -5.941 -10.459 1.00 35.22 H new ATOM 0 HA LEU A 77 -0.319 -6.753 -13.153 1.00 63.34 H new ATOM 0 HB2 LEU A 77 -2.363 -6.810 -10.901 1.00 44.12 H new ATOM 0 HB3 LEU A 77 -2.511 -7.680 -12.415 1.00 44.12 H new ATOM 0 HG LEU A 77 -0.316 -8.125 -10.348 1.00 13.12 H new ATOM 0 HD11 LEU A 77 -1.445 -10.274 -9.868 1.00 31.02 H new ATOM 0 HD12 LEU A 77 -2.478 -8.876 -9.487 1.00 31.02 H new ATOM 0 HD13 LEU A 77 -2.766 -9.817 -10.970 1.00 31.02 H new ATOM 0 HD21 LEU A 77 0.255 -10.138 -11.679 1.00 0.14 H new ATOM 0 HD22 LEU A 77 -0.956 -9.668 -12.895 1.00 0.14 H new ATOM 0 HD23 LEU A 77 0.468 -8.638 -12.612 1.00 0.14 H new ATOM 1259 N LEU A 78 -2.199 -4.179 -12.216 1.00 45.54 N ATOM 1260 CA LEU A 78 -2.879 -2.972 -12.727 1.00 43.42 C ATOM 1261 C LEU A 78 -1.952 -2.110 -13.621 1.00 40.12 C ATOM 1262 O LEU A 78 -2.428 -1.576 -14.602 1.00 24.12 O ATOM 1263 CB LEU A 78 -3.484 -2.134 -11.571 1.00 71.12 C ATOM 1264 CG LEU A 78 -4.574 -2.857 -10.720 1.00 22.35 C ATOM 1265 CD1 LEU A 78 -5.115 -1.944 -9.603 1.00 11.31 C ATOM 1266 CD2 LEU A 78 -5.713 -3.382 -11.614 1.00 55.31 C ATOM 0 H LEU A 78 -2.098 -4.205 -11.201 1.00 45.54 H new ATOM 0 HA LEU A 78 -3.699 -3.314 -13.358 1.00 43.42 H new ATOM 0 HB2 LEU A 78 -2.676 -1.824 -10.908 1.00 71.12 H new ATOM 0 HB3 LEU A 78 -3.918 -1.227 -11.991 1.00 71.12 H new ATOM 0 HG LEU A 78 -4.104 -3.715 -10.239 1.00 22.35 H new ATOM 0 HD11 LEU A 78 -5.872 -2.479 -9.030 1.00 11.31 H new ATOM 0 HD12 LEU A 78 -4.298 -1.654 -8.942 1.00 11.31 H new ATOM 0 HD13 LEU A 78 -5.558 -1.052 -10.045 1.00 11.31 H new ATOM 0 HD21 LEU A 78 -6.459 -3.882 -10.996 1.00 55.31 H new ATOM 0 HD22 LEU A 78 -6.177 -2.548 -12.140 1.00 55.31 H new ATOM 0 HD23 LEU A 78 -5.310 -4.089 -12.339 1.00 55.31 H new ATOM 1278 N LYS A 79 -0.632 -2.016 -13.306 1.00 1.14 N ATOM 1279 CA LYS A 79 0.340 -1.236 -14.140 1.00 64.13 C ATOM 1280 C LYS A 79 0.373 -1.795 -15.577 1.00 74.21 C ATOM 1281 O LYS A 79 0.419 -1.040 -16.558 1.00 45.24 O ATOM 1282 CB LYS A 79 1.784 -1.282 -13.557 1.00 13.32 C ATOM 1283 CG LYS A 79 1.946 -0.784 -12.106 1.00 60.35 C ATOM 1284 CD LYS A 79 1.648 0.706 -11.919 1.00 60.03 C ATOM 1285 CE LYS A 79 1.874 1.192 -10.482 1.00 21.01 C ATOM 1286 NZ LYS A 79 0.848 0.663 -9.557 1.00 11.41 N ATOM 0 H LYS A 79 -0.214 -2.464 -12.490 1.00 1.14 H new ATOM 0 HA LYS A 79 -0.001 -0.201 -14.138 1.00 64.13 H new ATOM 0 HB2 LYS A 79 2.142 -2.310 -13.609 1.00 13.32 H new ATOM 0 HB3 LYS A 79 2.432 -0.686 -14.199 1.00 13.32 H new ATOM 0 HG2 LYS A 79 1.284 -1.360 -11.460 1.00 60.35 H new ATOM 0 HG3 LYS A 79 2.966 -0.984 -11.777 1.00 60.35 H new ATOM 0 HD2 LYS A 79 2.279 1.284 -12.594 1.00 60.03 H new ATOM 0 HD3 LYS A 79 0.614 0.902 -12.203 1.00 60.03 H new ATOM 0 HE2 LYS A 79 2.863 0.882 -10.144 1.00 21.01 H new ATOM 0 HE3 LYS A 79 1.857 2.282 -10.460 1.00 21.01 H new ATOM 0 HZ1 LYS A 79 1.301 0.367 -8.669 1.00 11.41 H new ATOM 0 HZ2 LYS A 79 0.145 1.403 -9.358 1.00 11.41 H new ATOM 0 HZ3 LYS A 79 0.375 -0.154 -9.993 1.00 11.41 H new ATOM 1300 N GLY A 80 0.363 -3.142 -15.656 1.00 4.12 N ATOM 1301 CA GLY A 80 0.338 -3.860 -16.930 1.00 3.50 C ATOM 1302 C GLY A 80 -0.980 -3.706 -17.673 1.00 52.21 C ATOM 1303 O GLY A 80 -0.993 -3.479 -18.885 1.00 42.42 O ATOM 0 H GLY A 80 0.372 -3.752 -14.839 1.00 4.12 H new ATOM 0 HA2 GLY A 80 1.149 -3.497 -17.561 1.00 3.50 H new ATOM 0 HA3 GLY A 80 0.525 -4.918 -16.748 1.00 3.50 H new ATOM 1307 N LEU A 81 -2.090 -3.808 -16.921 1.00 54.35 N ATOM 1308 CA LEU A 81 -3.455 -3.794 -17.483 1.00 71.14 C ATOM 1309 C LEU A 81 -3.828 -2.364 -17.968 1.00 53.31 C ATOM 1310 O LEU A 81 -4.536 -2.209 -18.969 1.00 35.51 O ATOM 1311 CB LEU A 81 -4.477 -4.340 -16.420 1.00 43.40 C ATOM 1312 CG LEU A 81 -5.664 -5.223 -16.959 1.00 14.42 C ATOM 1313 CD1 LEU A 81 -6.532 -5.771 -15.803 1.00 73.51 C ATOM 1314 CD2 LEU A 81 -6.527 -4.473 -17.996 1.00 43.14 C ATOM 0 H LEU A 81 -2.068 -3.903 -15.906 1.00 54.35 H new ATOM 0 HA LEU A 81 -3.496 -4.451 -18.352 1.00 71.14 H new ATOM 0 HB2 LEU A 81 -3.923 -4.927 -15.688 1.00 43.40 H new ATOM 0 HB3 LEU A 81 -4.902 -3.488 -15.890 1.00 43.40 H new ATOM 0 HG LEU A 81 -5.214 -6.073 -17.472 1.00 14.42 H new ATOM 0 HD11 LEU A 81 -7.342 -6.376 -16.211 1.00 73.51 H new ATOM 0 HD12 LEU A 81 -5.917 -6.385 -15.145 1.00 73.51 H new ATOM 0 HD13 LEU A 81 -6.951 -4.939 -15.236 1.00 73.51 H new ATOM 0 HD21 LEU A 81 -7.332 -5.123 -18.338 1.00 43.14 H new ATOM 0 HD22 LEU A 81 -6.952 -3.580 -17.538 1.00 43.14 H new ATOM 0 HD23 LEU A 81 -5.907 -4.186 -18.845 1.00 43.14 H new ATOM 1326 N LEU A 82 -3.309 -1.338 -17.268 1.00 22.45 N ATOM 1327 CA LEU A 82 -3.589 0.079 -17.576 1.00 35.01 C ATOM 1328 C LEU A 82 -2.848 0.524 -18.840 1.00 53.12 C ATOM 1329 O LEU A 82 -3.403 1.280 -19.649 1.00 52.42 O ATOM 1330 CB LEU A 82 -3.216 0.991 -16.367 1.00 41.13 C ATOM 1331 CG LEU A 82 -4.158 0.892 -15.124 1.00 44.22 C ATOM 1332 CD1 LEU A 82 -3.613 1.711 -13.933 1.00 2.14 C ATOM 1333 CD2 LEU A 82 -5.595 1.305 -15.494 1.00 4.40 C ATOM 0 H LEU A 82 -2.684 -1.467 -16.473 1.00 22.45 H new ATOM 0 HA LEU A 82 -4.659 0.178 -17.761 1.00 35.01 H new ATOM 0 HB2 LEU A 82 -2.202 0.746 -16.051 1.00 41.13 H new ATOM 0 HB3 LEU A 82 -3.203 2.026 -16.708 1.00 41.13 H new ATOM 0 HG LEU A 82 -4.185 -0.150 -14.804 1.00 44.22 H new ATOM 0 HD11 LEU A 82 -4.293 1.619 -13.086 1.00 2.14 H new ATOM 0 HD12 LEU A 82 -2.630 1.333 -13.651 1.00 2.14 H new ATOM 0 HD13 LEU A 82 -3.530 2.759 -14.220 1.00 2.14 H new ATOM 0 HD21 LEU A 82 -6.234 1.229 -14.614 1.00 4.40 H new ATOM 0 HD22 LEU A 82 -5.596 2.333 -15.855 1.00 4.40 H new ATOM 0 HD23 LEU A 82 -5.973 0.646 -16.275 1.00 4.40 H new ATOM 1345 N GLN A 83 -1.601 0.035 -19.015 1.00 50.13 N ATOM 1346 CA GLN A 83 -0.771 0.403 -20.173 1.00 41.01 C ATOM 1347 C GLN A 83 0.344 -0.645 -20.381 1.00 65.43 C ATOM 1348 O GLN A 83 0.244 -1.494 -21.273 1.00 54.32 O ATOM 1349 CB GLN A 83 -0.203 1.851 -19.983 1.00 72.22 C ATOM 1350 CG GLN A 83 0.231 2.608 -21.261 1.00 13.30 C ATOM 1351 CD GLN A 83 1.529 2.106 -21.888 1.00 20.13 C ATOM 1352 OE1 GLN A 83 1.525 1.247 -22.773 1.00 41.21 O ATOM 1353 NE2 GLN A 83 2.654 2.609 -21.399 1.00 72.42 N ATOM 0 H GLN A 83 -1.152 -0.614 -18.369 1.00 50.13 H new ATOM 0 HA GLN A 83 -1.379 0.408 -21.077 1.00 41.01 H new ATOM 0 HB2 GLN A 83 -0.961 2.448 -19.476 1.00 72.22 H new ATOM 0 HB3 GLN A 83 0.656 1.793 -19.315 1.00 72.22 H new ATOM 0 HG2 GLN A 83 -0.567 2.533 -22.000 1.00 13.30 H new ATOM 0 HG3 GLN A 83 0.344 3.665 -21.020 1.00 13.30 H new ATOM 0 HE21 GLN A 83 2.620 3.319 -20.667 1.00 72.42 H new ATOM 0 HE22 GLN A 83 3.554 2.286 -21.755 1.00 72.42 H new ATOM 1362 N GLN A 84 1.387 -0.612 -19.528 1.00 42.34 N ATOM 1363 CA GLN A 84 2.600 -1.434 -19.735 1.00 52.42 C ATOM 1364 C GLN A 84 3.255 -1.767 -18.387 1.00 63.35 C ATOM 1365 O GLN A 84 3.222 -2.924 -17.947 1.00 61.23 O ATOM 1366 CB GLN A 84 3.595 -0.692 -20.678 1.00 64.23 C ATOM 1367 CG GLN A 84 4.870 -1.481 -21.044 1.00 32.34 C ATOM 1368 CD GLN A 84 5.851 -0.723 -21.957 1.00 4.05 C ATOM 1369 OE1 GLN A 84 6.554 -1.333 -22.772 1.00 15.34 O ATOM 1370 NE2 GLN A 84 5.939 0.596 -21.819 1.00 13.21 N ATOM 0 H GLN A 84 1.416 -0.028 -18.692 1.00 42.34 H new ATOM 0 HA GLN A 84 2.317 -2.373 -20.211 1.00 52.42 H new ATOM 0 HB2 GLN A 84 3.072 -0.432 -21.598 1.00 64.23 H new ATOM 0 HB3 GLN A 84 3.890 0.244 -20.203 1.00 64.23 H new ATOM 0 HG2 GLN A 84 5.388 -1.756 -20.125 1.00 32.34 H new ATOM 0 HG3 GLN A 84 4.579 -2.409 -21.536 1.00 32.34 H new ATOM 0 HE21 GLN A 84 5.349 1.078 -21.141 1.00 13.21 H new ATOM 0 HE22 GLN A 84 6.596 1.126 -22.392 1.00 13.21 H new ATOM 1379 N ARG A 85 3.845 -0.751 -17.727 1.00 52.11 N ATOM 1380 CA ARG A 85 4.541 -0.941 -16.436 1.00 44.32 C ATOM 1381 C ARG A 85 4.820 0.422 -15.803 1.00 72.31 C ATOM 1382 O ARG A 85 5.028 1.399 -16.527 1.00 53.52 O ATOM 1383 CB ARG A 85 5.855 -1.746 -16.640 1.00 30.05 C ATOM 1384 CG ARG A 85 6.482 -2.325 -15.348 1.00 13.10 C ATOM 1385 CD ARG A 85 7.569 -3.375 -15.656 1.00 32.22 C ATOM 1386 NE ARG A 85 7.073 -4.403 -16.598 1.00 24.11 N ATOM 1387 CZ ARG A 85 7.178 -5.732 -16.456 1.00 3.51 C ATOM 1388 NH1 ARG A 85 7.788 -6.269 -15.402 1.00 23.21 N ATOM 1389 NH2 ARG A 85 6.661 -6.520 -17.392 1.00 71.41 N ATOM 0 H ARG A 85 3.854 0.211 -18.066 1.00 52.11 H new ATOM 0 HA ARG A 85 3.905 -1.515 -15.762 1.00 44.32 H new ATOM 0 HB2 ARG A 85 5.655 -2.568 -17.328 1.00 30.05 H new ATOM 0 HB3 ARG A 85 6.588 -1.098 -17.121 1.00 30.05 H new ATOM 0 HG2 ARG A 85 6.915 -1.516 -14.761 1.00 13.10 H new ATOM 0 HG3 ARG A 85 5.701 -2.779 -14.738 1.00 13.10 H new ATOM 0 HD2 ARG A 85 8.444 -2.882 -16.080 1.00 32.22 H new ATOM 0 HD3 ARG A 85 7.890 -3.852 -14.730 1.00 32.22 H new ATOM 0 HE ARG A 85 6.604 -4.067 -17.439 1.00 24.11 H new ATOM 0 HH11 ARG A 85 8.187 -5.667 -14.682 1.00 23.21 H new ATOM 0 HH12 ARG A 85 7.856 -7.283 -15.314 1.00 23.21 H new ATOM 0 HH21 ARG A 85 6.194 -6.112 -18.202 1.00 71.41 H new ATOM 0 HH22 ARG A 85 6.731 -7.534 -17.301 1.00 71.41 H new ATOM 1403 N LEU A 86 4.786 0.475 -14.446 1.00 71.13 N ATOM 1404 CA LEU A 86 4.911 1.725 -13.648 1.00 63.02 C ATOM 1405 C LEU A 86 3.743 2.713 -13.916 1.00 41.12 C ATOM 1406 O LEU A 86 3.719 3.807 -13.346 1.00 65.02 O ATOM 1407 CB LEU A 86 6.284 2.429 -13.877 1.00 34.53 C ATOM 1408 CG LEU A 86 7.569 1.667 -13.421 1.00 2.13 C ATOM 1409 CD1 LEU A 86 8.832 2.488 -13.752 1.00 12.41 C ATOM 1410 CD2 LEU A 86 7.526 1.331 -11.918 1.00 3.30 C ATOM 0 H LEU A 86 4.670 -0.358 -13.868 1.00 71.13 H new ATOM 0 HA LEU A 86 4.857 1.422 -12.602 1.00 63.02 H new ATOM 0 HB2 LEU A 86 6.379 2.642 -14.942 1.00 34.53 H new ATOM 0 HB3 LEU A 86 6.261 3.388 -13.360 1.00 34.53 H new ATOM 0 HG LEU A 86 7.606 0.727 -13.971 1.00 2.13 H new ATOM 0 HD11 LEU A 86 9.717 1.941 -13.427 1.00 12.41 H new ATOM 0 HD12 LEU A 86 8.885 2.657 -14.828 1.00 12.41 H new ATOM 0 HD13 LEU A 86 8.788 3.447 -13.236 1.00 12.41 H new ATOM 0 HD21 LEU A 86 8.436 0.801 -11.637 1.00 3.30 H new ATOM 0 HD22 LEU A 86 7.450 2.253 -11.341 1.00 3.30 H new ATOM 0 HD23 LEU A 86 6.661 0.701 -11.711 1.00 3.30 H new ATOM 1422 N ASP A 87 2.743 2.293 -14.725 1.00 73.35 N ATOM 1423 CA ASP A 87 1.628 3.161 -15.124 1.00 1.54 C ATOM 1424 C ASP A 87 0.501 3.085 -14.077 1.00 35.03 C ATOM 1425 O ASP A 87 -0.343 2.184 -14.098 1.00 31.34 O ATOM 1426 CB ASP A 87 1.104 2.810 -16.534 1.00 22.25 C ATOM 1427 CG ASP A 87 0.042 3.822 -17.012 1.00 50.54 C ATOM 1428 OD1 ASP A 87 0.389 5.013 -17.203 1.00 12.22 O ATOM 1429 OD2 ASP A 87 -1.129 3.443 -17.193 1.00 34.24 O ATOM 0 H ASP A 87 2.692 1.351 -15.113 1.00 73.35 H new ATOM 0 HA ASP A 87 1.996 4.186 -15.170 1.00 1.54 H new ATOM 0 HB2 ASP A 87 1.936 2.794 -17.239 1.00 22.25 H new ATOM 0 HB3 ASP A 87 0.675 1.808 -16.525 1.00 22.25 H new ATOM 1434 N GLU A 88 0.578 4.009 -13.123 1.00 13.53 N ATOM 1435 CA GLU A 88 -0.325 4.111 -11.952 1.00 72.51 C ATOM 1436 C GLU A 88 -1.544 4.980 -12.279 1.00 10.53 C ATOM 1437 O GLU A 88 -1.472 5.808 -13.195 1.00 14.52 O ATOM 1438 CB GLU A 88 0.496 4.692 -10.762 1.00 24.04 C ATOM 1439 CG GLU A 88 1.312 5.967 -11.108 1.00 62.21 C ATOM 1440 CD GLU A 88 2.560 6.158 -10.232 1.00 31.21 C ATOM 1441 OE1 GLU A 88 3.453 5.277 -10.284 1.00 73.13 O ATOM 1442 OE2 GLU A 88 2.666 7.167 -9.492 1.00 3.44 O ATOM 0 H GLU A 88 1.291 4.738 -13.133 1.00 13.53 H new ATOM 0 HA GLU A 88 -0.709 3.128 -11.681 1.00 72.51 H new ATOM 0 HB2 GLU A 88 -0.186 4.923 -9.944 1.00 24.04 H new ATOM 0 HB3 GLU A 88 1.180 3.925 -10.399 1.00 24.04 H new ATOM 0 HG2 GLU A 88 1.617 5.920 -12.154 1.00 62.21 H new ATOM 0 HG3 GLU A 88 0.668 6.840 -11.002 1.00 62.21 H new ATOM 1449 N LEU A 89 -2.656 4.774 -11.524 1.00 13.24 N ATOM 1450 CA LEU A 89 -3.934 5.507 -11.717 1.00 52.15 C ATOM 1451 C LEU A 89 -3.706 7.031 -11.764 1.00 2.11 C ATOM 1452 O LEU A 89 -4.295 7.739 -12.588 1.00 33.00 O ATOM 1453 CB LEU A 89 -4.952 5.156 -10.588 1.00 15.14 C ATOM 1454 CG LEU A 89 -5.486 3.684 -10.547 1.00 70.24 C ATOM 1455 CD1 LEU A 89 -6.393 3.458 -9.315 1.00 11.11 C ATOM 1456 CD2 LEU A 89 -6.231 3.312 -11.853 1.00 63.14 C ATOM 0 H LEU A 89 -2.690 4.094 -10.764 1.00 13.24 H new ATOM 0 HA LEU A 89 -4.348 5.192 -12.675 1.00 52.15 H new ATOM 0 HB2 LEU A 89 -4.483 5.373 -9.629 1.00 15.14 H new ATOM 0 HB3 LEU A 89 -5.808 5.825 -10.683 1.00 15.14 H new ATOM 0 HG LEU A 89 -4.622 3.026 -10.461 1.00 70.24 H new ATOM 0 HD11 LEU A 89 -6.750 2.428 -9.310 1.00 11.11 H new ATOM 0 HD12 LEU A 89 -5.825 3.649 -8.405 1.00 11.11 H new ATOM 0 HD13 LEU A 89 -7.244 4.137 -9.360 1.00 11.11 H new ATOM 0 HD21 LEU A 89 -6.587 2.284 -11.788 1.00 63.14 H new ATOM 0 HD22 LEU A 89 -7.079 3.982 -11.991 1.00 63.14 H new ATOM 0 HD23 LEU A 89 -5.551 3.408 -12.700 1.00 63.14 H new ATOM 1468 N SER A 90 -2.821 7.508 -10.882 1.00 13.34 N ATOM 1469 CA SER A 90 -2.362 8.898 -10.869 1.00 11.13 C ATOM 1470 C SER A 90 -0.909 8.943 -10.389 1.00 51.21 C ATOM 1471 O SER A 90 -0.567 8.318 -9.373 1.00 51.15 O ATOM 1472 CB SER A 90 -3.269 9.756 -9.965 1.00 3.50 C ATOM 1473 OG SER A 90 -2.870 11.120 -9.934 1.00 22.23 O ATOM 0 H SER A 90 -2.401 6.934 -10.151 1.00 13.34 H new ATOM 0 HA SER A 90 -2.415 9.309 -11.877 1.00 11.13 H new ATOM 0 HB2 SER A 90 -4.298 9.689 -10.319 1.00 3.50 H new ATOM 0 HB3 SER A 90 -3.254 9.353 -8.952 1.00 3.50 H new ATOM 0 HG SER A 90 -3.474 11.624 -9.350 1.00 22.23 H new ATOM 1479 N SER A 91 -0.069 9.665 -11.153 1.00 70.41 N ATOM 1480 CA SER A 91 1.337 9.893 -10.821 1.00 33.22 C ATOM 1481 C SER A 91 1.434 10.756 -9.549 1.00 43.30 C ATOM 1482 O SER A 91 1.017 11.924 -9.558 1.00 51.33 O ATOM 1483 CB SER A 91 2.047 10.572 -12.014 1.00 4.13 C ATOM 1484 OG SER A 91 1.864 9.822 -13.207 1.00 55.03 O ATOM 0 H SER A 91 -0.357 10.108 -12.026 1.00 70.41 H new ATOM 0 HA SER A 91 1.832 8.942 -10.626 1.00 33.22 H new ATOM 0 HB2 SER A 91 1.655 11.580 -12.150 1.00 4.13 H new ATOM 0 HB3 SER A 91 3.111 10.670 -11.801 1.00 4.13 H new ATOM 0 HG SER A 91 2.320 10.271 -13.949 1.00 55.03 H new ATOM 1490 N LEU A 92 1.940 10.152 -8.457 1.00 71.31 N ATOM 1491 CA LEU A 92 2.014 10.806 -7.140 1.00 25.14 C ATOM 1492 C LEU A 92 2.883 12.080 -7.195 1.00 64.15 C ATOM 1493 O LEU A 92 2.375 13.190 -7.016 1.00 61.25 O ATOM 1494 CB LEU A 92 2.550 9.810 -6.077 1.00 31.20 C ATOM 1495 CG LEU A 92 1.684 8.532 -5.839 1.00 4.22 C ATOM 1496 CD1 LEU A 92 2.369 7.567 -4.852 1.00 41.00 C ATOM 1497 CD2 LEU A 92 0.269 8.904 -5.356 1.00 11.55 C ATOM 0 H LEU A 92 2.307 9.200 -8.464 1.00 71.31 H new ATOM 0 HA LEU A 92 1.008 11.111 -6.852 1.00 25.14 H new ATOM 0 HB2 LEU A 92 3.551 9.497 -6.374 1.00 31.20 H new ATOM 0 HB3 LEU A 92 2.649 10.339 -5.129 1.00 31.20 H new ATOM 0 HG LEU A 92 1.588 8.016 -6.794 1.00 4.22 H new ATOM 0 HD11 LEU A 92 1.741 6.688 -4.708 1.00 41.00 H new ATOM 0 HD12 LEU A 92 3.335 7.261 -5.254 1.00 41.00 H new ATOM 0 HD13 LEU A 92 2.516 8.069 -3.896 1.00 41.00 H new ATOM 0 HD21 LEU A 92 -0.312 7.995 -5.198 1.00 11.55 H new ATOM 0 HD22 LEU A 92 0.338 9.458 -4.420 1.00 11.55 H new ATOM 0 HD23 LEU A 92 -0.221 9.522 -6.108 1.00 11.55 H new ATOM 1509 N ILE A 93 4.184 11.907 -7.485 1.00 52.23 N ATOM 1510 CA ILE A 93 5.157 13.013 -7.536 1.00 43.42 C ATOM 1511 C ILE A 93 5.719 13.125 -8.973 1.00 1.33 C ATOM 1512 O ILE A 93 6.818 12.634 -9.272 1.00 41.14 O ATOM 1513 CB ILE A 93 6.320 12.808 -6.477 1.00 71.20 C ATOM 1514 CG1 ILE A 93 5.733 12.492 -5.061 1.00 34.40 C ATOM 1515 CG2 ILE A 93 7.258 14.045 -6.424 1.00 0.11 C ATOM 1516 CD1 ILE A 93 6.768 12.136 -4.006 1.00 44.32 C ATOM 0 H ILE A 93 4.592 10.995 -7.691 1.00 52.23 H new ATOM 0 HA ILE A 93 4.654 13.944 -7.275 1.00 43.42 H new ATOM 0 HB ILE A 93 6.916 11.953 -6.797 1.00 71.20 H new ATOM 0 HG12 ILE A 93 5.167 13.357 -4.717 1.00 34.40 H new ATOM 0 HG13 ILE A 93 5.028 11.665 -5.152 1.00 34.40 H new ATOM 0 HG21 ILE A 93 8.045 13.874 -5.689 1.00 0.11 H new ATOM 0 HG22 ILE A 93 7.706 14.204 -7.405 1.00 0.11 H new ATOM 0 HG23 ILE A 93 6.682 14.926 -6.141 1.00 0.11 H new ATOM 0 HD11 ILE A 93 6.268 11.934 -3.059 1.00 44.32 H new ATOM 0 HD12 ILE A 93 7.319 11.250 -4.322 1.00 44.32 H new ATOM 0 HD13 ILE A 93 7.460 12.969 -3.880 1.00 44.32 H new ATOM 1528 N GLY A 94 4.896 13.705 -9.873 1.00 61.35 N ATOM 1529 CA GLY A 94 5.303 14.007 -11.251 1.00 2.34 C ATOM 1530 C GLY A 94 5.337 12.784 -12.159 1.00 12.20 C ATOM 1531 O GLY A 94 4.435 12.579 -12.978 1.00 71.31 O ATOM 0 H GLY A 94 3.935 13.974 -9.660 1.00 61.35 H new ATOM 0 HA2 GLY A 94 4.616 14.742 -11.671 1.00 2.34 H new ATOM 0 HA3 GLY A 94 6.292 14.466 -11.237 1.00 2.34 H new ATOM 1535 N GLN A 95 6.395 11.975 -12.008 1.00 63.12 N ATOM 1536 CA GLN A 95 6.601 10.726 -12.771 1.00 71.03 C ATOM 1537 C GLN A 95 5.961 9.539 -12.036 1.00 12.21 C ATOM 1538 O GLN A 95 5.250 9.717 -11.033 1.00 11.23 O ATOM 1539 CB GLN A 95 8.138 10.497 -12.983 1.00 75.04 C ATOM 1540 CG GLN A 95 8.787 11.285 -14.153 1.00 42.32 C ATOM 1541 CD GLN A 95 8.377 12.757 -14.218 1.00 22.24 C ATOM 1542 OE1 GLN A 95 7.452 13.129 -14.947 1.00 31.21 O ATOM 1543 NE2 GLN A 95 9.026 13.597 -13.429 1.00 21.31 N ATOM 0 H GLN A 95 7.145 12.168 -11.344 1.00 63.12 H new ATOM 0 HA GLN A 95 6.120 10.810 -13.746 1.00 71.03 H new ATOM 0 HB2 GLN A 95 8.656 10.762 -12.061 1.00 75.04 H new ATOM 0 HB3 GLN A 95 8.307 9.433 -13.149 1.00 75.04 H new ATOM 0 HG2 GLN A 95 9.871 11.225 -14.060 1.00 42.32 H new ATOM 0 HG3 GLN A 95 8.520 10.803 -15.094 1.00 42.32 H new ATOM 0 HE21 GLN A 95 9.786 13.258 -12.839 1.00 21.31 H new ATOM 0 HE22 GLN A 95 8.767 14.583 -13.411 1.00 21.31 H new ATOM 1552 N SER A 96 6.215 8.334 -12.572 1.00 61.13 N ATOM 1553 CA SER A 96 5.797 7.074 -11.964 1.00 32.42 C ATOM 1554 C SER A 96 6.486 6.883 -10.596 1.00 23.32 C ATOM 1555 O SER A 96 7.642 6.444 -10.510 1.00 21.40 O ATOM 1556 CB SER A 96 6.115 5.919 -12.924 1.00 23.44 C ATOM 1557 OG SER A 96 5.421 6.068 -14.155 1.00 50.21 O ATOM 0 H SER A 96 6.722 8.213 -13.449 1.00 61.13 H new ATOM 0 HA SER A 96 4.722 7.089 -11.786 1.00 32.42 H new ATOM 0 HB2 SER A 96 7.188 5.883 -13.111 1.00 23.44 H new ATOM 0 HB3 SER A 96 5.840 4.971 -12.461 1.00 23.44 H new ATOM 0 HG SER A 96 4.701 5.405 -14.207 1.00 50.21 H new ATOM 1563 N THR A 97 5.759 7.273 -9.542 1.00 21.00 N ATOM 1564 CA THR A 97 6.268 7.314 -8.171 1.00 24.12 C ATOM 1565 C THR A 97 5.809 6.091 -7.371 1.00 24.03 C ATOM 1566 O THR A 97 6.623 5.474 -6.713 1.00 43.13 O ATOM 1567 CB THR A 97 5.792 8.617 -7.465 1.00 4.52 C ATOM 1568 OG1 THR A 97 6.243 9.759 -8.205 1.00 73.24 O ATOM 1569 CG2 THR A 97 6.286 8.731 -6.002 1.00 11.43 C ATOM 0 H THR A 97 4.787 7.573 -9.622 1.00 21.00 H new ATOM 0 HA THR A 97 7.357 7.302 -8.215 1.00 24.12 H new ATOM 0 HB THR A 97 4.703 8.579 -7.436 1.00 4.52 H new ATOM 0 HG1 THR A 97 5.862 9.735 -9.108 1.00 73.24 H new ATOM 0 HG21 THR A 97 5.921 9.661 -5.566 1.00 11.43 H new ATOM 0 HG22 THR A 97 5.910 7.887 -5.424 1.00 11.43 H new ATOM 0 HG23 THR A 97 7.376 8.726 -5.985 1.00 11.43 H new ATOM 1577 N ARG A 98 4.513 5.739 -7.488 1.00 3.42 N ATOM 1578 CA ARG A 98 3.822 4.764 -6.611 1.00 62.43 C ATOM 1579 C ARG A 98 4.625 3.458 -6.451 1.00 10.44 C ATOM 1580 O ARG A 98 5.018 3.103 -5.336 1.00 23.54 O ATOM 1581 CB ARG A 98 2.392 4.489 -7.204 1.00 65.41 C ATOM 1582 CG ARG A 98 1.372 3.691 -6.339 1.00 71.30 C ATOM 1583 CD ARG A 98 1.726 2.199 -6.156 1.00 60.30 C ATOM 1584 NE ARG A 98 0.623 1.406 -5.648 1.00 45.13 N ATOM 1585 CZ ARG A 98 0.729 0.190 -5.111 1.00 33.23 C ATOM 1586 NH1 ARG A 98 1.910 -0.418 -4.971 1.00 12.44 N ATOM 1587 NH2 ARG A 98 -0.365 -0.435 -4.784 1.00 14.12 N ATOM 0 H ARG A 98 3.904 6.130 -8.207 1.00 3.42 H new ATOM 0 HA ARG A 98 3.732 5.186 -5.610 1.00 62.43 H new ATOM 0 HB2 ARG A 98 1.942 5.452 -7.444 1.00 65.41 H new ATOM 0 HB3 ARG A 98 2.520 3.953 -8.145 1.00 65.41 H new ATOM 0 HG2 ARG A 98 1.301 4.159 -5.357 1.00 71.30 H new ATOM 0 HG3 ARG A 98 0.387 3.765 -6.799 1.00 71.30 H new ATOM 0 HD2 ARG A 98 2.048 1.789 -7.113 1.00 60.30 H new ATOM 0 HD3 ARG A 98 2.571 2.114 -5.472 1.00 60.30 H new ATOM 0 HE ARG A 98 -0.311 1.812 -5.706 1.00 45.13 H new ATOM 0 HH11 ARG A 98 2.763 0.048 -5.279 1.00 12.44 H new ATOM 0 HH12 ARG A 98 1.959 -1.349 -4.556 1.00 12.44 H new ATOM 0 HH21 ARG A 98 -1.271 0.007 -4.941 1.00 14.12 H new ATOM 0 HH22 ARG A 98 -0.316 -1.366 -4.371 1.00 14.12 H new ATOM 1601 N GLN A 99 4.912 2.788 -7.580 1.00 42.23 N ATOM 1602 CA GLN A 99 5.473 1.427 -7.563 1.00 53.34 C ATOM 1603 C GLN A 99 6.934 1.466 -7.099 1.00 32.34 C ATOM 1604 O GLN A 99 7.340 0.681 -6.246 1.00 71.25 O ATOM 1605 CB GLN A 99 5.364 0.768 -8.961 1.00 73.14 C ATOM 1606 CG GLN A 99 5.707 -0.738 -8.977 1.00 40.55 C ATOM 1607 CD GLN A 99 5.695 -1.375 -10.372 1.00 72.31 C ATOM 1608 OE1 GLN A 99 4.991 -0.930 -11.277 1.00 42.01 O ATOM 1609 NE2 GLN A 99 6.459 -2.437 -10.547 1.00 44.51 N ATOM 0 H GLN A 99 4.765 3.167 -8.515 1.00 42.23 H new ATOM 0 HA GLN A 99 4.897 0.824 -6.861 1.00 53.34 H new ATOM 0 HB2 GLN A 99 4.349 0.903 -9.336 1.00 73.14 H new ATOM 0 HB3 GLN A 99 6.030 1.289 -9.649 1.00 73.14 H new ATOM 0 HG2 GLN A 99 6.693 -0.878 -8.535 1.00 40.55 H new ATOM 0 HG3 GLN A 99 4.996 -1.267 -8.343 1.00 40.55 H new ATOM 0 HE21 GLN A 99 7.033 -2.785 -9.779 1.00 44.51 H new ATOM 0 HE22 GLN A 99 6.475 -2.910 -11.450 1.00 44.51 H new ATOM 1618 N LYS A 100 7.676 2.446 -7.639 1.00 43.34 N ATOM 1619 CA LYS A 100 9.122 2.609 -7.419 1.00 64.15 C ATOM 1620 C LYS A 100 9.423 3.011 -5.957 1.00 34.42 C ATOM 1621 O LYS A 100 10.273 2.412 -5.302 1.00 0.25 O ATOM 1622 CB LYS A 100 9.654 3.676 -8.410 1.00 52.32 C ATOM 1623 CG LYS A 100 11.186 3.891 -8.389 1.00 50.31 C ATOM 1624 CD LYS A 100 11.664 4.880 -9.479 1.00 62.35 C ATOM 1625 CE LYS A 100 11.123 6.310 -9.283 1.00 14.15 C ATOM 1626 NZ LYS A 100 11.665 6.951 -8.051 1.00 12.31 N ATOM 0 H LYS A 100 7.281 3.160 -8.251 1.00 43.34 H new ATOM 0 HA LYS A 100 9.626 1.659 -7.597 1.00 64.15 H new ATOM 0 HB2 LYS A 100 9.357 3.391 -9.419 1.00 52.32 H new ATOM 0 HB3 LYS A 100 9.167 4.626 -8.191 1.00 52.32 H new ATOM 0 HG2 LYS A 100 11.483 4.265 -7.409 1.00 50.31 H new ATOM 0 HG3 LYS A 100 11.686 2.932 -8.529 1.00 50.31 H new ATOM 0 HD2 LYS A 100 12.754 4.908 -9.482 1.00 62.35 H new ATOM 0 HD3 LYS A 100 11.352 4.512 -10.456 1.00 62.35 H new ATOM 0 HE2 LYS A 100 11.382 6.917 -10.151 1.00 14.15 H new ATOM 0 HE3 LYS A 100 10.035 6.281 -9.227 1.00 14.15 H new ATOM 0 HZ1 LYS A 100 11.329 7.934 -7.994 1.00 12.31 H new ATOM 0 HZ2 LYS A 100 11.340 6.425 -7.215 1.00 12.31 H new ATOM 0 HZ3 LYS A 100 12.704 6.942 -8.084 1.00 12.31 H new ATOM 1640 N SER A 101 8.672 4.005 -5.465 1.00 52.20 N ATOM 1641 CA SER A 101 8.832 4.573 -4.116 1.00 11.53 C ATOM 1642 C SER A 101 8.429 3.554 -3.048 1.00 12.52 C ATOM 1643 O SER A 101 9.116 3.418 -2.040 1.00 11.50 O ATOM 1644 CB SER A 101 7.975 5.856 -3.963 1.00 12.23 C ATOM 1645 OG SER A 101 8.135 6.457 -2.686 1.00 62.34 O ATOM 0 H SER A 101 7.924 4.446 -6.000 1.00 52.20 H new ATOM 0 HA SER A 101 9.883 4.828 -3.980 1.00 11.53 H new ATOM 0 HB2 SER A 101 8.253 6.571 -4.737 1.00 12.23 H new ATOM 0 HB3 SER A 101 6.924 5.610 -4.118 1.00 12.23 H new ATOM 0 HG SER A 101 7.338 6.286 -2.142 1.00 62.34 H new ATOM 1651 N LEU A 102 7.307 2.835 -3.286 1.00 71.21 N ATOM 1652 CA LEU A 102 6.767 1.870 -2.307 1.00 20.11 C ATOM 1653 C LEU A 102 7.619 0.577 -2.267 1.00 24.32 C ATOM 1654 O LEU A 102 7.741 -0.063 -1.214 1.00 42.20 O ATOM 1655 CB LEU A 102 5.272 1.553 -2.614 1.00 63.33 C ATOM 1656 CG LEU A 102 4.377 1.305 -1.361 1.00 62.32 C ATOM 1657 CD1 LEU A 102 4.288 2.589 -0.508 1.00 52.13 C ATOM 1658 CD2 LEU A 102 2.981 0.778 -1.750 1.00 41.32 C ATOM 0 H LEU A 102 6.762 2.906 -4.145 1.00 71.21 H new ATOM 0 HA LEU A 102 6.818 2.326 -1.318 1.00 20.11 H new ATOM 0 HB2 LEU A 102 4.851 2.381 -3.184 1.00 63.33 H new ATOM 0 HB3 LEU A 102 5.228 0.671 -3.253 1.00 63.33 H new ATOM 0 HG LEU A 102 4.844 0.527 -0.757 1.00 62.32 H new ATOM 0 HD11 LEU A 102 3.661 2.404 0.364 1.00 52.13 H new ATOM 0 HD12 LEU A 102 5.287 2.879 -0.181 1.00 52.13 H new ATOM 0 HD13 LEU A 102 3.854 3.392 -1.103 1.00 52.13 H new ATOM 0 HD21 LEU A 102 2.388 0.618 -0.849 1.00 41.32 H new ATOM 0 HD22 LEU A 102 2.482 1.507 -2.388 1.00 41.32 H new ATOM 0 HD23 LEU A 102 3.085 -0.164 -2.288 1.00 41.32 H new ATOM 1670 N ASN A 103 8.208 0.217 -3.427 1.00 12.34 N ATOM 1671 CA ASN A 103 9.159 -0.911 -3.546 1.00 15.23 C ATOM 1672 C ASN A 103 10.448 -0.585 -2.776 1.00 22.43 C ATOM 1673 O ASN A 103 10.995 -1.432 -2.057 1.00 3.11 O ATOM 1674 CB ASN A 103 9.463 -1.205 -5.039 1.00 23.10 C ATOM 1675 CG ASN A 103 10.438 -2.367 -5.260 1.00 43.12 C ATOM 1676 OD1 ASN A 103 10.038 -3.532 -5.308 1.00 33.14 O ATOM 1677 ND2 ASN A 103 11.722 -2.067 -5.401 1.00 44.43 N ATOM 0 H ASN A 103 8.038 0.700 -4.309 1.00 12.34 H new ATOM 0 HA ASN A 103 8.712 -1.805 -3.112 1.00 15.23 H new ATOM 0 HB2 ASN A 103 8.528 -1.426 -5.553 1.00 23.10 H new ATOM 0 HB3 ASN A 103 9.874 -0.307 -5.499 1.00 23.10 H new ATOM 0 HD21 ASN A 103 12.405 -2.809 -5.553 1.00 44.43 H new ATOM 0 HD22 ASN A 103 12.026 -1.094 -5.357 1.00 44.43 H new ATOM 1684 N ASN A 104 10.900 0.673 -2.916 1.00 62.13 N ATOM 1685 CA ASN A 104 12.085 1.179 -2.210 1.00 11.14 C ATOM 1686 C ASN A 104 11.782 1.358 -0.711 1.00 54.41 C ATOM 1687 O ASN A 104 12.678 1.225 0.110 1.00 60.22 O ATOM 1688 CB ASN A 104 12.576 2.503 -2.842 1.00 72.15 C ATOM 1689 CG ASN A 104 13.863 3.046 -2.196 1.00 14.12 C ATOM 1690 OD1 ASN A 104 13.818 3.864 -1.277 1.00 41.31 O ATOM 1691 ND2 ASN A 104 15.015 2.560 -2.636 1.00 1.21 N ATOM 0 H ASN A 104 10.455 1.364 -3.520 1.00 62.13 H new ATOM 0 HA ASN A 104 12.886 0.446 -2.309 1.00 11.14 H new ATOM 0 HB2 ASN A 104 12.750 2.347 -3.907 1.00 72.15 H new ATOM 0 HB3 ASN A 104 11.790 3.253 -2.755 1.00 72.15 H new ATOM 0 HD21 ASN A 104 15.892 2.863 -2.212 1.00 1.21 H new ATOM 0 HD22 ASN A 104 15.025 1.883 -3.399 1.00 1.21 H new ATOM 1698 N ALA A 105 10.500 1.634 -0.372 1.00 74.54 N ATOM 1699 CA ALA A 105 10.041 1.761 1.029 1.00 21.25 C ATOM 1700 C ALA A 105 10.119 0.405 1.744 1.00 14.15 C ATOM 1701 O ALA A 105 10.490 0.333 2.925 1.00 50.42 O ATOM 1702 CB ALA A 105 8.612 2.323 1.080 1.00 64.33 C ATOM 0 H ALA A 105 9.760 1.774 -1.059 1.00 74.54 H new ATOM 0 HA ALA A 105 10.699 2.459 1.547 1.00 21.25 H new ATOM 0 HB1 ALA A 105 8.292 2.409 2.118 1.00 64.33 H new ATOM 0 HB2 ALA A 105 8.591 3.307 0.611 1.00 64.33 H new ATOM 0 HB3 ALA A 105 7.938 1.652 0.547 1.00 64.33 H new ATOM 1708 N TYR A 106 9.766 -0.670 0.999 1.00 55.41 N ATOM 1709 CA TYR A 106 9.955 -2.062 1.449 1.00 74.41 C ATOM 1710 C TYR A 106 11.462 -2.313 1.672 1.00 13.42 C ATOM 1711 O TYR A 106 11.855 -2.874 2.696 1.00 32.34 O ATOM 1712 CB TYR A 106 9.380 -3.073 0.399 1.00 42.34 C ATOM 1713 CG TYR A 106 9.231 -4.546 0.877 1.00 34.54 C ATOM 1714 CD1 TYR A 106 10.302 -5.276 1.422 1.00 53.44 C ATOM 1715 CD2 TYR A 106 8.011 -5.216 0.777 1.00 11.33 C ATOM 1716 CE1 TYR A 106 10.159 -6.576 1.844 1.00 14.54 C ATOM 1717 CE2 TYR A 106 7.875 -6.522 1.199 1.00 14.13 C ATOM 1718 CZ TYR A 106 8.944 -7.196 1.733 1.00 20.43 C ATOM 1719 OH TYR A 106 8.793 -8.496 2.169 1.00 64.51 O ATOM 0 H TYR A 106 9.344 -0.593 0.074 1.00 55.41 H new ATOM 0 HA TYR A 106 9.414 -2.215 2.383 1.00 74.41 H new ATOM 0 HB2 TYR A 106 8.401 -2.716 0.079 1.00 42.34 H new ATOM 0 HB3 TYR A 106 10.026 -3.061 -0.479 1.00 42.34 H new ATOM 0 HD1 TYR A 106 11.267 -4.800 1.512 1.00 53.44 H new ATOM 0 HD2 TYR A 106 7.157 -4.702 0.361 1.00 11.33 H new ATOM 0 HE1 TYR A 106 11.002 -7.106 2.262 1.00 14.54 H new ATOM 0 HE2 TYR A 106 6.920 -7.018 1.108 1.00 14.13 H new ATOM 0 HH TYR A 106 7.869 -8.786 2.019 1.00 64.51 H new ATOM 1729 N GLY A 107 12.282 -1.900 0.681 1.00 20.42 N ATOM 1730 CA GLY A 107 13.740 -2.054 0.744 1.00 2.52 C ATOM 1731 C GLY A 107 14.355 -1.369 1.963 1.00 30.04 C ATOM 1732 O GLY A 107 15.232 -1.931 2.635 1.00 63.52 O ATOM 0 H GLY A 107 11.950 -1.455 -0.175 1.00 20.42 H new ATOM 0 HA2 GLY A 107 13.988 -3.115 0.765 1.00 2.52 H new ATOM 0 HA3 GLY A 107 14.184 -1.641 -0.162 1.00 2.52 H new ATOM 1736 N ARG A 108 13.838 -0.166 2.269 1.00 64.01 N ATOM 1737 CA ARG A 108 14.250 0.618 3.435 1.00 21.23 C ATOM 1738 C ARG A 108 13.798 -0.080 4.724 1.00 44.31 C ATOM 1739 O ARG A 108 14.475 0.012 5.743 1.00 52.35 O ATOM 1740 CB ARG A 108 13.665 2.061 3.364 1.00 32.40 C ATOM 1741 CG ARG A 108 14.260 2.982 2.269 1.00 42.12 C ATOM 1742 CD ARG A 108 15.684 3.490 2.584 1.00 1.04 C ATOM 1743 NE ARG A 108 16.696 2.415 2.607 1.00 65.33 N ATOM 1744 CZ ARG A 108 17.739 2.334 3.451 1.00 73.31 C ATOM 1745 NH1 ARG A 108 17.944 3.257 4.386 1.00 35.44 N ATOM 1746 NH2 ARG A 108 18.587 1.329 3.347 1.00 50.11 N ATOM 0 H ARG A 108 13.118 0.288 1.707 1.00 64.01 H new ATOM 0 HA ARG A 108 15.337 0.692 3.437 1.00 21.23 H new ATOM 0 HB2 ARG A 108 12.589 1.988 3.204 1.00 32.40 H new ATOM 0 HB3 ARG A 108 13.812 2.539 4.332 1.00 32.40 H new ATOM 0 HG2 ARG A 108 14.279 2.440 1.323 1.00 42.12 H new ATOM 0 HG3 ARG A 108 13.601 3.839 2.132 1.00 42.12 H new ATOM 0 HD2 ARG A 108 15.970 4.233 1.840 1.00 1.04 H new ATOM 0 HD3 ARG A 108 15.677 3.994 3.551 1.00 1.04 H new ATOM 0 HE ARG A 108 16.595 1.667 1.921 1.00 65.33 H new ATOM 0 HH11 ARG A 108 17.303 4.046 4.473 1.00 35.44 H new ATOM 0 HH12 ARG A 108 18.742 3.176 5.016 1.00 35.44 H new ATOM 0 HH21 ARG A 108 18.450 0.618 2.629 1.00 50.11 H new ATOM 0 HH22 ARG A 108 19.380 1.263 3.985 1.00 50.11 H new ATOM 1760 N LEU A 109 12.628 -0.750 4.671 1.00 45.54 N ATOM 1761 CA LEU A 109 12.080 -1.517 5.815 1.00 33.11 C ATOM 1762 C LEU A 109 12.936 -2.755 6.111 1.00 41.23 C ATOM 1763 O LEU A 109 13.079 -3.156 7.271 1.00 54.22 O ATOM 1764 CB LEU A 109 10.605 -1.908 5.559 1.00 10.20 C ATOM 1765 CG LEU A 109 9.877 -2.648 6.729 1.00 70.12 C ATOM 1766 CD1 LEU A 109 9.799 -1.779 8.007 1.00 52.23 C ATOM 1767 CD2 LEU A 109 8.488 -3.113 6.287 1.00 45.42 C ATOM 0 H LEU A 109 12.037 -0.776 3.840 1.00 45.54 H new ATOM 0 HA LEU A 109 12.110 -0.875 6.696 1.00 33.11 H new ATOM 0 HB2 LEU A 109 10.046 -1.002 5.325 1.00 10.20 H new ATOM 0 HB3 LEU A 109 10.567 -2.544 4.674 1.00 10.20 H new ATOM 0 HG LEU A 109 10.470 -3.527 6.983 1.00 70.12 H new ATOM 0 HD11 LEU A 109 9.286 -2.333 8.793 1.00 52.23 H new ATOM 0 HD12 LEU A 109 10.807 -1.528 8.339 1.00 52.23 H new ATOM 0 HD13 LEU A 109 9.250 -0.863 7.791 1.00 52.23 H new ATOM 0 HD21 LEU A 109 7.996 -3.626 7.113 1.00 45.42 H new ATOM 0 HD22 LEU A 109 7.893 -2.250 5.990 1.00 45.42 H new ATOM 0 HD23 LEU A 109 8.584 -3.795 5.442 1.00 45.42 H new ATOM 1779 N SER A 110 13.518 -3.328 5.045 1.00 32.52 N ATOM 1780 CA SER A 110 14.405 -4.484 5.141 1.00 10.14 C ATOM 1781 C SER A 110 15.755 -4.057 5.748 1.00 21.22 C ATOM 1782 O SER A 110 16.294 -4.761 6.608 1.00 13.24 O ATOM 1783 CB SER A 110 14.602 -5.123 3.744 1.00 0.41 C ATOM 1784 OG SER A 110 15.397 -6.301 3.810 1.00 11.30 O ATOM 0 H SER A 110 13.382 -2.996 4.090 1.00 32.52 H new ATOM 0 HA SER A 110 13.954 -5.231 5.794 1.00 10.14 H new ATOM 0 HB2 SER A 110 13.630 -5.364 3.314 1.00 0.41 H new ATOM 0 HB3 SER A 110 15.075 -4.402 3.078 1.00 0.41 H new ATOM 0 HG SER A 110 15.499 -6.678 2.911 1.00 11.30 H new ATOM 1790 N GLY A 111 16.286 -2.891 5.307 1.00 42.13 N ATOM 1791 CA GLY A 111 17.609 -2.443 5.754 1.00 22.34 C ATOM 1792 C GLY A 111 17.586 -1.605 7.032 1.00 32.41 C ATOM 1793 O GLY A 111 18.159 -2.019 8.045 1.00 14.32 O ATOM 0 H GLY A 111 15.821 -2.260 4.654 1.00 42.13 H new ATOM 0 HA2 GLY A 111 18.241 -3.316 5.916 1.00 22.34 H new ATOM 0 HA3 GLY A 111 18.071 -1.859 4.958 1.00 22.34 H new ATOM 1797 N MET A 112 16.913 -0.436 7.009 1.00 13.02 N ATOM 1798 CA MET A 112 16.897 0.491 8.170 1.00 54.11 C ATOM 1799 C MET A 112 15.683 0.270 9.099 1.00 51.44 C ATOM 1800 O MET A 112 15.866 -0.202 10.224 1.00 12.02 O ATOM 1801 CB MET A 112 16.948 1.992 7.681 1.00 71.34 C ATOM 1802 CG MET A 112 18.226 2.748 8.087 1.00 24.42 C ATOM 1803 SD MET A 112 18.615 2.608 9.856 1.00 53.12 S ATOM 1804 CE MET A 112 17.149 3.273 10.651 1.00 64.22 C ATOM 0 H MET A 112 16.375 -0.109 6.206 1.00 13.02 H new ATOM 0 HA MET A 112 17.788 0.271 8.757 1.00 54.11 H new ATOM 0 HB2 MET A 112 16.858 2.011 6.595 1.00 71.34 H new ATOM 0 HB3 MET A 112 16.084 2.522 8.082 1.00 71.34 H new ATOM 0 HG2 MET A 112 19.066 2.366 7.506 1.00 24.42 H new ATOM 0 HG3 MET A 112 18.114 3.801 7.829 1.00 24.42 H new ATOM 0 HE1 MET A 112 17.315 3.337 11.726 1.00 64.22 H new ATOM 0 HE2 MET A 112 16.941 4.268 10.257 1.00 64.22 H new ATOM 0 HE3 MET A 112 16.300 2.619 10.453 1.00 64.22 H new ATOM 1814 N LEU A 113 14.465 0.572 8.558 1.00 21.22 N ATOM 1815 CA LEU A 113 13.145 0.566 9.276 1.00 4.51 C ATOM 1816 C LEU A 113 12.161 1.485 8.509 1.00 13.51 C ATOM 1817 O LEU A 113 11.521 2.354 9.103 1.00 10.12 O ATOM 1818 CB LEU A 113 13.217 1.032 10.792 1.00 33.04 C ATOM 1819 CG LEU A 113 13.244 -0.092 11.880 1.00 64.23 C ATOM 1820 CD1 LEU A 113 13.181 0.503 13.304 1.00 44.30 C ATOM 1821 CD2 LEU A 113 12.115 -1.120 11.646 1.00 62.15 C ATOM 0 H LEU A 113 14.368 0.836 7.577 1.00 21.22 H new ATOM 0 HA LEU A 113 12.809 -0.471 9.297 1.00 4.51 H new ATOM 0 HB2 LEU A 113 14.110 1.645 10.916 1.00 33.04 H new ATOM 0 HB3 LEU A 113 12.359 1.675 10.990 1.00 33.04 H new ATOM 0 HG LEU A 113 14.194 -0.619 11.790 1.00 64.23 H new ATOM 0 HD11 LEU A 113 13.202 -0.304 14.037 1.00 44.30 H new ATOM 0 HD12 LEU A 113 14.037 1.159 13.462 1.00 44.30 H new ATOM 0 HD13 LEU A 113 12.260 1.074 13.419 1.00 44.30 H new ATOM 0 HD21 LEU A 113 12.158 -1.889 12.417 1.00 62.15 H new ATOM 0 HD22 LEU A 113 11.149 -0.616 11.690 1.00 62.15 H new ATOM 0 HD23 LEU A 113 12.240 -1.581 10.666 1.00 62.15 H new ATOM 1833 N LEU A 114 12.147 1.345 7.168 1.00 61.23 N ATOM 1834 CA LEU A 114 11.202 2.042 6.230 1.00 22.31 C ATOM 1835 C LEU A 114 11.592 3.533 6.020 1.00 34.53 C ATOM 1836 O LEU A 114 11.154 4.179 5.065 1.00 14.34 O ATOM 1837 CB LEU A 114 9.715 1.841 6.696 1.00 25.21 C ATOM 1838 CG LEU A 114 8.612 1.656 5.592 1.00 74.10 C ATOM 1839 CD1 LEU A 114 7.349 0.997 6.193 1.00 14.41 C ATOM 1840 CD2 LEU A 114 8.250 2.986 4.890 1.00 70.43 C ATOM 0 H LEU A 114 12.802 0.733 6.682 1.00 61.23 H new ATOM 0 HA LEU A 114 11.286 1.582 5.245 1.00 22.31 H new ATOM 0 HB2 LEU A 114 9.685 0.967 7.347 1.00 25.21 H new ATOM 0 HB3 LEU A 114 9.437 2.702 7.304 1.00 25.21 H new ATOM 0 HG LEU A 114 9.029 0.997 4.830 1.00 74.10 H new ATOM 0 HD11 LEU A 114 6.596 0.877 5.414 1.00 14.41 H new ATOM 0 HD12 LEU A 114 7.608 0.020 6.602 1.00 14.41 H new ATOM 0 HD13 LEU A 114 6.952 1.629 6.987 1.00 14.41 H new ATOM 0 HD21 LEU A 114 7.484 2.803 4.137 1.00 70.43 H new ATOM 0 HD22 LEU A 114 7.872 3.695 5.627 1.00 70.43 H new ATOM 0 HD23 LEU A 114 9.138 3.398 4.411 1.00 70.43 H new ATOM 1852 N VAL A 115 12.477 4.034 6.885 1.00 61.33 N ATOM 1853 CA VAL A 115 12.947 5.423 6.878 1.00 12.02 C ATOM 1854 C VAL A 115 14.178 5.568 5.950 1.00 75.42 C ATOM 1855 O VAL A 115 14.864 4.565 5.683 1.00 33.43 O ATOM 1856 CB VAL A 115 13.300 5.869 8.345 1.00 72.35 C ATOM 1857 CG1 VAL A 115 12.027 5.950 9.220 1.00 21.44 C ATOM 1858 CG2 VAL A 115 14.364 4.933 8.971 1.00 3.43 C ATOM 0 H VAL A 115 12.897 3.473 7.627 1.00 61.33 H new ATOM 0 HA VAL A 115 12.156 6.068 6.496 1.00 12.02 H new ATOM 0 HB VAL A 115 13.732 6.869 8.300 1.00 72.35 H new ATOM 0 HG11 VAL A 115 12.298 6.260 10.229 1.00 21.44 H new ATOM 0 HG12 VAL A 115 11.336 6.675 8.791 1.00 21.44 H new ATOM 0 HG13 VAL A 115 11.549 4.971 9.258 1.00 21.44 H new ATOM 0 HG21 VAL A 115 14.589 5.265 9.985 1.00 3.43 H new ATOM 0 HG22 VAL A 115 13.980 3.913 9.000 1.00 3.43 H new ATOM 0 HG23 VAL A 115 15.273 4.962 8.370 1.00 3.43 H new ATOM 1868 N PRO A 116 14.468 6.814 5.439 1.00 12.51 N ATOM 1869 CA PRO A 116 15.640 7.084 4.568 1.00 53.02 C ATOM 1870 C PRO A 116 16.977 6.602 5.178 1.00 15.01 C ATOM 1871 O PRO A 116 17.803 6.011 4.476 1.00 75.44 O ATOM 1872 CB PRO A 116 15.627 8.625 4.407 1.00 75.45 C ATOM 1873 CG PRO A 116 14.188 9.005 4.590 1.00 10.12 C ATOM 1874 CD PRO A 116 13.659 8.056 5.647 1.00 63.34 C ATOM 0 HA PRO A 116 15.568 6.544 3.624 1.00 53.02 H new ATOM 0 HB2 PRO A 116 16.263 9.108 5.149 1.00 75.45 H new ATOM 0 HB3 PRO A 116 15.996 8.926 3.426 1.00 75.45 H new ATOM 0 HG2 PRO A 116 14.092 10.043 4.909 1.00 10.12 H new ATOM 0 HG3 PRO A 116 13.633 8.905 3.657 1.00 10.12 H new ATOM 0 HD2 PRO A 116 13.793 8.459 6.651 1.00 63.34 H new ATOM 0 HD3 PRO A 116 12.593 7.867 5.519 1.00 63.34 H new ATOM 1882 N ASP A 117 17.158 6.843 6.496 1.00 63.23 N ATOM 1883 CA ASP A 117 18.411 6.504 7.216 1.00 54.54 C ATOM 1884 C ASP A 117 18.214 6.577 8.744 1.00 72.34 C ATOM 1885 O ASP A 117 18.798 5.783 9.479 1.00 51.12 O ATOM 1886 CB ASP A 117 19.574 7.442 6.783 1.00 43.11 C ATOM 1887 CG ASP A 117 19.355 8.912 7.182 1.00 5.22 C ATOM 1888 OD1 ASP A 117 20.214 9.499 7.875 1.00 62.44 O ATOM 1889 OD2 ASP A 117 18.309 9.484 6.803 1.00 23.24 O ATOM 0 H ASP A 117 16.448 7.274 7.088 1.00 63.23 H new ATOM 0 HA ASP A 117 18.672 5.480 6.951 1.00 54.54 H new ATOM 0 HB2 ASP A 117 20.503 7.087 7.229 1.00 43.11 H new ATOM 0 HB3 ASP A 117 19.696 7.381 5.702 1.00 43.11 H new ATOM 1894 N ALA A 118 17.397 7.536 9.214 1.00 53.24 N ATOM 1895 CA ALA A 118 17.140 7.750 10.653 1.00 21.30 C ATOM 1896 C ALA A 118 15.622 7.652 10.936 1.00 63.43 C ATOM 1897 O ALA A 118 14.826 8.202 10.166 1.00 20.13 O ATOM 1898 CB ALA A 118 17.699 9.125 11.083 1.00 73.14 C ATOM 0 H ALA A 118 16.895 8.186 8.609 1.00 53.24 H new ATOM 0 HA ALA A 118 17.645 6.978 11.234 1.00 21.30 H new ATOM 0 HB1 ALA A 118 17.508 9.280 12.145 1.00 73.14 H new ATOM 0 HB2 ALA A 118 18.773 9.155 10.900 1.00 73.14 H new ATOM 0 HB3 ALA A 118 17.211 9.912 10.508 1.00 73.14 H new ATOM 1904 N PRO A 119 15.184 6.936 12.030 1.00 14.02 N ATOM 1905 CA PRO A 119 13.756 6.839 12.426 1.00 15.32 C ATOM 1906 C PRO A 119 13.310 8.082 13.232 1.00 75.24 C ATOM 1907 O PRO A 119 12.752 7.988 14.339 1.00 34.45 O ATOM 1908 CB PRO A 119 13.731 5.530 13.257 1.00 65.43 C ATOM 1909 CG PRO A 119 15.085 5.468 13.910 1.00 42.13 C ATOM 1910 CD PRO A 119 16.055 6.166 12.961 1.00 25.52 C ATOM 0 HA PRO A 119 13.059 6.813 11.588 1.00 15.32 H new ATOM 0 HB2 PRO A 119 12.933 5.547 14.000 1.00 65.43 H new ATOM 0 HB3 PRO A 119 13.557 4.661 12.622 1.00 65.43 H new ATOM 0 HG2 PRO A 119 15.070 5.961 14.882 1.00 42.13 H new ATOM 0 HG3 PRO A 119 15.386 4.435 14.082 1.00 42.13 H new ATOM 0 HD2 PRO A 119 16.735 6.824 13.503 1.00 25.52 H new ATOM 0 HD3 PRO A 119 16.670 5.445 12.423 1.00 25.52 H new ATOM 1918 N GLY A 120 13.525 9.248 12.602 1.00 2.55 N ATOM 1919 CA GLY A 120 13.331 10.543 13.226 1.00 73.52 C ATOM 1920 C GLY A 120 14.649 11.145 13.662 1.00 61.10 C ATOM 1921 O GLY A 120 15.596 11.160 12.869 1.00 4.53 O ATOM 0 H GLY A 120 13.842 9.306 11.634 1.00 2.55 H new ATOM 0 HA2 GLY A 120 12.835 11.216 12.526 1.00 73.52 H new ATOM 0 HA3 GLY A 120 12.673 10.439 14.089 1.00 73.52 H new ATOM 1925 N ALA A 121 14.690 11.670 14.915 1.00 25.04 N ATOM 1926 CA ALA A 121 15.888 12.306 15.528 1.00 22.42 C ATOM 1927 C ALA A 121 16.341 13.576 14.762 1.00 55.11 C ATOM 1928 O ALA A 121 17.436 14.096 14.999 1.00 12.52 O ATOM 1929 CB ALA A 121 17.043 11.292 15.661 1.00 12.24 C ATOM 0 H ALA A 121 13.881 11.664 15.537 1.00 25.04 H new ATOM 0 HA ALA A 121 15.600 12.630 16.528 1.00 22.42 H new ATOM 0 HB1 ALA A 121 17.907 11.781 16.112 1.00 12.24 H new ATOM 0 HB2 ALA A 121 16.727 10.461 16.292 1.00 12.24 H new ATOM 0 HB3 ALA A 121 17.313 10.916 14.674 1.00 12.24 H new ATOM 1935 N SER A 122 15.467 14.078 13.874 1.00 51.01 N ATOM 1936 CA SER A 122 15.747 15.220 12.992 1.00 51.13 C ATOM 1937 C SER A 122 14.739 16.358 13.305 1.00 61.35 C ATOM 1938 O SER A 122 15.086 17.272 14.087 1.00 73.22 O ATOM 1939 CB SER A 122 15.645 14.768 11.512 1.00 72.51 C ATOM 1940 OG SER A 122 16.480 13.649 11.238 1.00 71.32 O ATOM 1941 OXT SER A 122 13.588 16.304 12.807 1.00 38.12 O ATOM 0 H SER A 122 14.530 13.694 13.748 1.00 51.01 H new ATOM 0 HA SER A 122 16.757 15.594 13.162 1.00 51.13 H new ATOM 0 HB2 SER A 122 14.611 14.514 11.281 1.00 72.51 H new ATOM 0 HB3 SER A 122 15.923 15.596 10.860 1.00 72.51 H new ATOM 0 HG SER A 122 16.161 12.871 11.742 1.00 71.32 H new TER 1947 SER A 122