USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1020 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 128 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 129 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 28 CYS SG : rot -13:sc= 0.485 USER MOD Set 2.2: A 61 TYR OH : rot 19:sc= 1.7 USER MOD Set 3.1: A 14 MET CE :methyl 177:sc= -0.0316 (180deg=-0.0554) USER MOD Set 3.2: A 25 MET CE :methyl -162:sc= -0.167 (180deg=-0.545) USER MOD Set 3.3: A 84 MET CE :methyl 177:sc= 0 (180deg=-0.00692) USER MOD Set 4.1: A 17 HIS : no HE2:sc= -0.277 X(o=0.96,f=1) USER MOD Set 4.2: A 21 THR OG1 : rot -80:sc= 1.24 USER MOD Set 5.1: A 6 THR OG1 : rot 180:sc= -0.0855 USER MOD Set 5.2: A 123 ASN : amide:sc= -0.0968 K(o=-0.18,f=-2.1!) USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.032 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 4 MET CE :methyl -163:sc= -0.0336 (180deg=-0.306) USER MOD Single : A 8 SER OG : rot 66:sc= 1.18 USER MOD Single : A 10 ASN : amide:sc=-0.00663 X(o=-0.0066,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -125:sc= -0.322 (180deg=-0.507) USER MOD Single : A 35 MET CE :methyl -175:sc= -0.07 (180deg=-0.0873) USER MOD Single : A 37 THR OG1 : rot -130:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.034 X(o=-0.034,f=-0.054) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -107:sc= 0.945 (180deg=-0.196) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0.815 K(o=0.82,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0.394 USER MOD Single : A 62 THR OG1 : rot 180:sc=0.000789 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 64 LYS NZ :NH3+ -138:sc= 1.27 (180deg=0.199) USER MOD Single : A 69 SER OG : rot 180:sc= -0.18 USER MOD Single : A 72 THR OG1 : rot 85:sc= 0.0354 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0393) USER MOD Single : A 75 ASN : amide:sc= 0.567 K(o=0.57,f=-7.4!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0435 X(o=-0.043,f=-0.49) USER MOD Single : A 83 THR OG1 : rot 161:sc= 1.34 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -149:sc= -0.285 USER MOD Single : A 91 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.74) USER MOD Single : A 94 ASN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 101 CYS SG : rot 130:sc= 0.019 USER MOD Single : A 102 MET CE :methyl 171:sc=-0.00407 (180deg=-0.187) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -138:sc= 0.0162 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 2:sc= 0.342! USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.00834 USER MOD Single : A 122 TYR OH : rot -64:sc= 1.39 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.616 -12.895 12.699 1.00 1.21 N ATOM 2 CA GLY A 1 13.539 -12.133 11.449 1.00 63.13 C ATOM 3 C GLY A 1 12.160 -11.534 11.293 1.00 53.33 C ATOM 4 O GLY A 1 11.163 -12.173 11.631 1.00 53.25 O ATOM 0 H1 GLY A 1 14.038 -13.827 12.512 1.00 1.21 H new ATOM 0 H2 GLY A 1 14.205 -12.379 13.384 1.00 1.21 H new ATOM 0 H3 GLY A 1 12.660 -13.020 13.089 1.00 1.21 H new ATOM 0 HA2 GLY A 1 14.290 -11.343 11.448 1.00 63.13 H new ATOM 0 HA3 GLY A 1 13.760 -12.783 10.603 1.00 63.13 H new ATOM 8 N SER A 2 12.101 -10.289 10.827 1.00 44.05 N ATOM 9 CA SER A 2 10.893 -9.484 10.776 1.00 62.25 C ATOM 10 C SER A 2 9.786 -10.163 9.956 1.00 65.23 C ATOM 11 O SER A 2 10.049 -10.849 8.964 1.00 73.14 O ATOM 12 CB SER A 2 11.268 -8.103 10.223 1.00 53.22 C ATOM 13 OG SER A 2 12.426 -7.631 10.897 1.00 44.41 O ATOM 0 H SER A 2 12.920 -9.802 10.464 1.00 44.05 H new ATOM 0 HA SER A 2 10.479 -9.372 11.778 1.00 62.25 H new ATOM 0 HB2 SER A 2 11.456 -8.166 9.151 1.00 53.22 H new ATOM 0 HB3 SER A 2 10.442 -7.406 10.361 1.00 53.22 H new ATOM 0 HG SER A 2 12.672 -6.749 10.547 1.00 44.41 H new ATOM 19 N HIS A 3 8.533 -9.963 10.369 1.00 40.13 N ATOM 20 CA HIS A 3 7.358 -10.411 9.635 1.00 53.04 C ATOM 21 C HIS A 3 7.226 -9.598 8.344 1.00 52.44 C ATOM 22 O HIS A 3 6.765 -8.449 8.376 1.00 43.13 O ATOM 23 CB HIS A 3 6.101 -10.313 10.509 1.00 63.40 C ATOM 24 CG HIS A 3 5.888 -11.514 11.401 1.00 61.24 C ATOM 25 ND1 HIS A 3 6.859 -12.303 11.978 1.00 74.45 N ATOM 26 CD2 HIS A 3 4.674 -12.046 11.740 1.00 23.04 C ATOM 27 CE1 HIS A 3 6.239 -13.279 12.656 1.00 72.43 C ATOM 28 NE2 HIS A 3 4.902 -13.180 12.533 1.00 11.21 N ATOM 0 H HIS A 3 8.307 -9.477 11.237 1.00 40.13 H new ATOM 0 HA HIS A 3 7.473 -11.461 9.366 1.00 53.04 H new ATOM 0 HB2 HIS A 3 6.168 -9.419 11.128 1.00 63.40 H new ATOM 0 HB3 HIS A 3 5.230 -10.190 9.865 1.00 63.40 H new ATOM 0 HD2 HIS A 3 3.709 -11.660 11.448 1.00 23.04 H new ATOM 0 HE1 HIS A 3 6.745 -14.044 13.226 1.00 72.43 H new ATOM 0 HE2 HIS A 3 4.200 -13.802 12.934 1.00 11.21 H new ATOM 36 N MET A 4 7.618 -10.225 7.227 1.00 54.21 N ATOM 37 CA MET A 4 7.494 -9.781 5.839 1.00 41.43 C ATOM 38 C MET A 4 7.965 -8.333 5.616 1.00 52.30 C ATOM 39 O MET A 4 8.795 -7.836 6.383 1.00 22.24 O ATOM 40 CB MET A 4 6.152 -10.222 5.208 1.00 72.14 C ATOM 41 CG MET A 4 4.912 -10.002 6.072 1.00 11.23 C ATOM 42 SD MET A 4 4.511 -11.309 7.279 1.00 63.31 S ATOM 43 CE MET A 4 4.109 -12.696 6.181 1.00 12.14 C ATOM 0 H MET A 4 8.070 -11.138 7.281 1.00 54.21 H new ATOM 0 HA MET A 4 8.223 -10.320 5.233 1.00 41.43 H new ATOM 0 HB2 MET A 4 6.019 -9.684 4.269 1.00 72.14 H new ATOM 0 HB3 MET A 4 6.218 -11.282 4.962 1.00 72.14 H new ATOM 0 HG2 MET A 4 5.037 -9.065 6.615 1.00 11.23 H new ATOM 0 HG3 MET A 4 4.055 -9.875 5.411 1.00 11.23 H new ATOM 0 HE1 MET A 4 3.564 -13.456 6.740 1.00 12.14 H new ATOM 0 HE2 MET A 4 3.492 -12.340 5.356 1.00 12.14 H new ATOM 0 HE3 MET A 4 5.029 -13.126 5.786 1.00 12.14 H new ATOM 53 N GLY A 5 7.581 -7.722 4.493 1.00 13.14 N ATOM 54 CA GLY A 5 7.976 -6.379 4.091 1.00 44.54 C ATOM 55 C GLY A 5 8.125 -6.205 2.583 1.00 52.12 C ATOM 56 O GLY A 5 8.006 -5.093 2.075 1.00 72.32 O ATOM 0 H GLY A 5 6.963 -8.170 3.816 1.00 13.14 H new ATOM 0 HA2 GLY A 5 7.236 -5.668 4.458 1.00 44.54 H new ATOM 0 HA3 GLY A 5 8.922 -6.130 4.571 1.00 44.54 H new ATOM 60 N THR A 6 8.364 -7.270 1.835 1.00 31.22 N ATOM 61 CA THR A 6 8.339 -7.297 0.371 1.00 4.43 C ATOM 62 C THR A 6 8.010 -8.726 -0.061 1.00 42.52 C ATOM 63 O THR A 6 8.460 -9.680 0.572 1.00 61.21 O ATOM 64 CB THR A 6 9.690 -6.820 -0.211 1.00 15.24 C ATOM 65 OG1 THR A 6 10.028 -5.546 0.297 1.00 43.11 O ATOM 66 CG2 THR A 6 9.681 -6.638 -1.731 1.00 12.31 C ATOM 0 H THR A 6 8.590 -8.178 2.241 1.00 31.22 H new ATOM 0 HA THR A 6 7.580 -6.614 -0.012 1.00 4.43 H new ATOM 0 HB THR A 6 10.394 -7.603 0.071 1.00 15.24 H new ATOM 0 HG1 THR A 6 10.886 -5.260 -0.081 1.00 43.11 H new ATOM 0 HG21 THR A 6 10.663 -6.302 -2.063 1.00 12.31 H new ATOM 0 HG22 THR A 6 9.441 -7.587 -2.210 1.00 12.31 H new ATOM 0 HG23 THR A 6 8.932 -5.895 -2.004 1.00 12.31 H new ATOM 74 N VAL A 7 7.225 -8.868 -1.129 1.00 64.13 N ATOM 75 CA VAL A 7 6.885 -10.115 -1.803 1.00 72.53 C ATOM 76 C VAL A 7 6.627 -9.817 -3.294 1.00 32.14 C ATOM 77 O VAL A 7 6.891 -8.704 -3.755 1.00 34.13 O ATOM 78 CB VAL A 7 5.664 -10.774 -1.136 1.00 45.13 C ATOM 79 CG1 VAL A 7 5.875 -11.204 0.321 1.00 71.45 C ATOM 80 CG2 VAL A 7 4.410 -9.886 -1.214 1.00 31.20 C ATOM 0 H VAL A 7 6.783 -8.063 -1.572 1.00 64.13 H new ATOM 0 HA VAL A 7 7.712 -10.821 -1.722 1.00 72.53 H new ATOM 0 HB VAL A 7 5.519 -11.683 -1.720 1.00 45.13 H new ATOM 0 HG11 VAL A 7 4.960 -11.657 0.703 1.00 71.45 H new ATOM 0 HG12 VAL A 7 6.688 -11.929 0.372 1.00 71.45 H new ATOM 0 HG13 VAL A 7 6.128 -10.332 0.925 1.00 71.45 H new ATOM 0 HG21 VAL A 7 3.575 -10.393 -0.731 1.00 31.20 H new ATOM 0 HG22 VAL A 7 4.602 -8.940 -0.708 1.00 31.20 H new ATOM 0 HG23 VAL A 7 4.163 -9.696 -2.259 1.00 31.20 H new ATOM 90 N SER A 8 6.096 -10.779 -4.058 1.00 45.15 N ATOM 91 CA SER A 8 5.586 -10.555 -5.407 1.00 22.04 C ATOM 92 C SER A 8 4.280 -11.347 -5.559 1.00 21.11 C ATOM 93 O SER A 8 4.210 -12.383 -6.220 1.00 63.55 O ATOM 94 CB SER A 8 6.677 -10.886 -6.434 1.00 71.21 C ATOM 95 OG SER A 8 6.256 -10.573 -7.746 1.00 42.33 O ATOM 0 H SER A 8 6.009 -11.747 -3.748 1.00 45.15 H new ATOM 0 HA SER A 8 5.338 -9.510 -5.591 1.00 22.04 H new ATOM 0 HB2 SER A 8 7.584 -10.329 -6.198 1.00 71.21 H new ATOM 0 HB3 SER A 8 6.928 -11.945 -6.373 1.00 71.21 H new ATOM 0 HG SER A 8 6.150 -9.603 -7.833 1.00 42.33 H new ATOM 101 N TRP A 9 3.228 -10.883 -4.892 1.00 23.14 N ATOM 102 CA TRP A 9 1.858 -11.336 -5.098 1.00 51.30 C ATOM 103 C TRP A 9 1.261 -10.652 -6.331 1.00 35.24 C ATOM 104 O TRP A 9 1.892 -9.781 -6.933 1.00 15.02 O ATOM 105 CB TRP A 9 1.048 -11.012 -3.838 1.00 14.20 C ATOM 106 CG TRP A 9 1.481 -11.723 -2.589 1.00 20.44 C ATOM 107 CD1 TRP A 9 2.189 -12.876 -2.546 1.00 72.22 C ATOM 108 CD2 TRP A 9 1.238 -11.362 -1.196 1.00 0.51 C ATOM 109 NE1 TRP A 9 2.433 -13.233 -1.237 1.00 51.14 N ATOM 110 CE2 TRP A 9 1.896 -12.316 -0.363 1.00 24.54 C ATOM 111 CE3 TRP A 9 0.574 -10.298 -0.547 1.00 54.44 C ATOM 112 CZ2 TRP A 9 1.933 -12.199 1.034 1.00 43.42 C ATOM 113 CZ3 TRP A 9 0.584 -10.183 0.855 1.00 22.41 C ATOM 114 CH2 TRP A 9 1.268 -11.124 1.646 1.00 40.31 C ATOM 0 H TRP A 9 3.308 -10.162 -4.174 1.00 23.14 H new ATOM 0 HA TRP A 9 1.834 -12.411 -5.274 1.00 51.30 H new ATOM 0 HB2 TRP A 9 1.100 -9.938 -3.660 1.00 14.20 H new ATOM 0 HB3 TRP A 9 0.002 -11.253 -4.028 1.00 14.20 H new ATOM 0 HD1 TRP A 9 2.515 -13.435 -3.411 1.00 72.22 H new ATOM 0 HE1 TRP A 9 2.945 -14.068 -0.953 1.00 51.14 H new ATOM 0 HE3 TRP A 9 0.050 -9.560 -1.137 1.00 54.44 H new ATOM 0 HZ2 TRP A 9 2.465 -12.925 1.631 1.00 43.42 H new ATOM 0 HZ3 TRP A 9 0.062 -9.365 1.328 1.00 22.41 H new ATOM 0 HH2 TRP A 9 1.282 -11.020 2.721 1.00 40.31 H new ATOM 125 N ASN A 10 0.036 -11.035 -6.712 1.00 64.31 N ATOM 126 CA ASN A 10 -0.678 -10.312 -7.764 1.00 71.41 C ATOM 127 C ASN A 10 -1.540 -9.239 -7.114 1.00 13.24 C ATOM 128 O ASN A 10 -1.738 -9.227 -5.894 1.00 33.41 O ATOM 129 CB ASN A 10 -1.607 -11.213 -8.595 1.00 50.34 C ATOM 130 CG ASN A 10 -0.997 -12.519 -9.064 1.00 50.41 C ATOM 131 OD1 ASN A 10 0.126 -12.583 -9.554 1.00 22.12 O ATOM 132 ND2 ASN A 10 -1.763 -13.581 -8.951 1.00 72.31 N ATOM 0 H ASN A 10 -0.471 -11.826 -6.315 1.00 64.31 H new ATOM 0 HA ASN A 10 0.076 -9.897 -8.433 1.00 71.41 H new ATOM 0 HB2 ASN A 10 -2.493 -11.438 -8.002 1.00 50.34 H new ATOM 0 HB3 ASN A 10 -1.942 -10.654 -9.469 1.00 50.34 H new ATOM 0 HD21 ASN A 10 -1.428 -14.488 -9.275 1.00 72.31 H new ATOM 0 HD22 ASN A 10 -2.693 -13.498 -8.539 1.00 72.31 H new ATOM 139 N LEU A 11 -2.186 -8.437 -7.959 1.00 50.42 N ATOM 140 CA LEU A 11 -3.298 -7.575 -7.608 1.00 55.25 C ATOM 141 C LEU A 11 -4.315 -8.318 -6.745 1.00 4.04 C ATOM 142 O LEU A 11 -4.671 -7.798 -5.684 1.00 64.22 O ATOM 143 CB LEU A 11 -3.899 -6.960 -8.884 1.00 73.42 C ATOM 144 CG LEU A 11 -5.089 -5.985 -8.724 1.00 23.44 C ATOM 145 CD1 LEU A 11 -6.448 -6.668 -8.856 1.00 53.20 C ATOM 146 CD2 LEU A 11 -5.105 -5.133 -7.454 1.00 4.02 C ATOM 0 H LEU A 11 -1.934 -8.372 -8.945 1.00 50.42 H new ATOM 0 HA LEU A 11 -2.946 -6.747 -6.993 1.00 55.25 H new ATOM 0 HB2 LEU A 11 -3.102 -6.433 -9.409 1.00 73.42 H new ATOM 0 HB3 LEU A 11 -4.220 -7.777 -9.530 1.00 73.42 H new ATOM 0 HG LEU A 11 -4.918 -5.306 -9.559 1.00 23.44 H new ATOM 0 HD11 LEU A 11 -7.240 -5.929 -8.734 1.00 53.20 H new ATOM 0 HD12 LEU A 11 -6.530 -7.128 -9.841 1.00 53.20 H new ATOM 0 HD13 LEU A 11 -6.546 -7.435 -8.088 1.00 53.20 H new ATOM 0 HD21 LEU A 11 -5.986 -4.492 -7.457 1.00 4.02 H new ATOM 0 HD22 LEU A 11 -5.133 -5.783 -6.580 1.00 4.02 H new ATOM 0 HD23 LEU A 11 -4.207 -4.516 -7.419 1.00 4.02 H new ATOM 158 N ARG A 12 -4.773 -9.514 -7.150 1.00 5.01 N ATOM 159 CA ARG A 12 -5.814 -10.178 -6.377 1.00 74.43 C ATOM 160 C ARG A 12 -5.291 -10.639 -5.032 1.00 32.21 C ATOM 161 O ARG A 12 -6.067 -10.573 -4.084 1.00 23.22 O ATOM 162 CB ARG A 12 -6.413 -11.382 -7.113 1.00 72.41 C ATOM 163 CG ARG A 12 -7.682 -11.025 -7.886 1.00 30.24 C ATOM 164 CD ARG A 12 -8.327 -12.292 -8.459 1.00 41.02 C ATOM 165 NE ARG A 12 -9.610 -12.004 -9.118 1.00 14.21 N ATOM 166 CZ ARG A 12 -10.802 -11.850 -8.532 1.00 31.24 C ATOM 167 NH1 ARG A 12 -10.942 -11.921 -7.216 1.00 10.33 N ATOM 168 NH2 ARG A 12 -11.874 -11.623 -9.271 1.00 14.43 N ATOM 0 H ARG A 12 -4.450 -10.018 -7.976 1.00 5.01 H new ATOM 0 HA ARG A 12 -6.598 -9.435 -6.233 1.00 74.43 H new ATOM 0 HB2 ARG A 12 -5.673 -11.786 -7.803 1.00 72.41 H new ATOM 0 HB3 ARG A 12 -6.640 -12.168 -6.393 1.00 72.41 H new ATOM 0 HG2 ARG A 12 -8.386 -10.515 -7.228 1.00 30.24 H new ATOM 0 HG3 ARG A 12 -7.442 -10.333 -8.693 1.00 30.24 H new ATOM 0 HD2 ARG A 12 -7.647 -12.754 -9.175 1.00 41.02 H new ATOM 0 HD3 ARG A 12 -8.484 -13.014 -7.657 1.00 41.02 H new ATOM 0 HE ARG A 12 -9.588 -11.912 -10.134 1.00 14.21 H new ATOM 0 HH11 ARG A 12 -10.129 -12.097 -6.625 1.00 10.33 H new ATOM 0 HH12 ARG A 12 -11.863 -11.800 -6.794 1.00 10.33 H new ATOM 0 HH21 ARG A 12 -11.791 -11.566 -10.286 1.00 14.43 H new ATOM 0 HH22 ARG A 12 -12.784 -11.505 -8.826 1.00 14.43 H new ATOM 182 N GLU A 13 -4.048 -11.113 -4.931 1.00 51.34 N ATOM 183 CA GLU A 13 -3.586 -11.767 -3.717 1.00 32.02 C ATOM 184 C GLU A 13 -3.416 -10.758 -2.596 1.00 33.54 C ATOM 185 O GLU A 13 -3.760 -11.075 -1.469 1.00 11.25 O ATOM 186 CB GLU A 13 -2.295 -12.554 -3.946 1.00 73.35 C ATOM 187 CG GLU A 13 -2.526 -14.069 -3.960 1.00 41.41 C ATOM 188 CD GLU A 13 -2.123 -14.726 -2.632 1.00 1.04 C ATOM 189 OE1 GLU A 13 -0.911 -15.017 -2.482 1.00 71.13 O ATOM 190 OE2 GLU A 13 -2.972 -14.945 -1.742 1.00 50.45 O ATOM 0 H GLU A 13 -3.351 -11.054 -5.673 1.00 51.34 H new ATOM 0 HA GLU A 13 -4.351 -12.486 -3.422 1.00 32.02 H new ATOM 0 HB2 GLU A 13 -1.850 -12.249 -4.893 1.00 73.35 H new ATOM 0 HB3 GLU A 13 -1.578 -12.306 -3.163 1.00 73.35 H new ATOM 0 HG2 GLU A 13 -3.578 -14.273 -4.161 1.00 41.41 H new ATOM 0 HG3 GLU A 13 -1.954 -14.515 -4.773 1.00 41.41 H new ATOM 197 N MET A 14 -2.972 -9.531 -2.877 1.00 72.54 N ATOM 198 CA MET A 14 -2.870 -8.522 -1.823 1.00 32.32 C ATOM 199 C MET A 14 -4.265 -8.168 -1.287 1.00 0.03 C ATOM 200 O MET A 14 -4.437 -7.942 -0.087 1.00 33.53 O ATOM 201 CB MET A 14 -2.183 -7.257 -2.340 1.00 65.24 C ATOM 202 CG MET A 14 -0.813 -7.469 -3.003 1.00 42.32 C ATOM 203 SD MET A 14 0.584 -6.842 -2.036 1.00 65.14 S ATOM 204 CE MET A 14 0.419 -5.055 -2.297 1.00 64.21 C ATOM 0 H MET A 14 -2.683 -9.217 -3.804 1.00 72.54 H new ATOM 0 HA MET A 14 -2.268 -8.940 -1.016 1.00 32.32 H new ATOM 0 HB2 MET A 14 -2.844 -6.774 -3.060 1.00 65.24 H new ATOM 0 HB3 MET A 14 -2.060 -6.565 -1.507 1.00 65.24 H new ATOM 0 HG2 MET A 14 -0.669 -8.535 -3.180 1.00 42.32 H new ATOM 0 HG3 MET A 14 -0.814 -6.981 -3.978 1.00 42.32 H new ATOM 0 HE1 MET A 14 1.180 -4.531 -1.718 1.00 64.21 H new ATOM 0 HE2 MET A 14 0.548 -4.828 -3.355 1.00 64.21 H new ATOM 0 HE3 MET A 14 -0.570 -4.730 -1.974 1.00 64.21 H new ATOM 214 N LEU A 15 -5.262 -8.118 -2.180 1.00 2.14 N ATOM 215 CA LEU A 15 -6.656 -7.838 -1.847 1.00 32.23 C ATOM 216 C LEU A 15 -7.247 -8.989 -1.024 1.00 15.44 C ATOM 217 O LEU A 15 -7.916 -8.757 -0.021 1.00 4.13 O ATOM 218 CB LEU A 15 -7.446 -7.579 -3.144 1.00 40.33 C ATOM 219 CG LEU A 15 -8.690 -6.684 -2.958 1.00 21.24 C ATOM 220 CD1 LEU A 15 -8.321 -5.198 -2.954 1.00 62.24 C ATOM 221 CD2 LEU A 15 -9.669 -6.865 -4.124 1.00 11.23 C ATOM 0 H LEU A 15 -5.113 -8.276 -3.177 1.00 2.14 H new ATOM 0 HA LEU A 15 -6.721 -6.942 -1.230 1.00 32.23 H new ATOM 0 HB2 LEU A 15 -6.783 -7.114 -3.873 1.00 40.33 H new ATOM 0 HB3 LEU A 15 -7.759 -8.535 -3.563 1.00 40.33 H new ATOM 0 HG LEU A 15 -9.132 -6.979 -2.007 1.00 21.24 H new ATOM 0 HD11 LEU A 15 -9.222 -4.600 -2.821 1.00 62.24 H new ATOM 0 HD12 LEU A 15 -7.628 -4.997 -2.137 1.00 62.24 H new ATOM 0 HD13 LEU A 15 -7.849 -4.938 -3.902 1.00 62.24 H new ATOM 0 HD21 LEU A 15 -10.538 -6.225 -3.972 1.00 11.23 H new ATOM 0 HD22 LEU A 15 -9.177 -6.593 -5.058 1.00 11.23 H new ATOM 0 HD23 LEU A 15 -9.989 -7.906 -4.172 1.00 11.23 H new ATOM 233 N ALA A 16 -6.993 -10.224 -1.456 1.00 51.12 N ATOM 234 CA ALA A 16 -7.550 -11.450 -0.908 1.00 23.41 C ATOM 235 C ALA A 16 -6.857 -11.867 0.396 1.00 65.13 C ATOM 236 O ALA A 16 -7.493 -12.421 1.284 1.00 30.44 O ATOM 237 CB ALA A 16 -7.391 -12.544 -1.970 1.00 40.42 C ATOM 0 H ALA A 16 -6.361 -10.400 -2.237 1.00 51.12 H new ATOM 0 HA ALA A 16 -8.600 -11.291 -0.662 1.00 23.41 H new ATOM 0 HB1 ALA A 16 -7.800 -13.481 -1.591 1.00 40.42 H new ATOM 0 HB2 ALA A 16 -7.926 -12.254 -2.874 1.00 40.42 H new ATOM 0 HB3 ALA A 16 -6.334 -12.676 -2.201 1.00 40.42 H new ATOM 243 N HIS A 17 -5.569 -11.573 0.557 1.00 30.01 N ATOM 244 CA HIS A 17 -4.851 -11.785 1.803 1.00 45.01 C ATOM 245 C HIS A 17 -5.520 -10.976 2.918 1.00 24.21 C ATOM 246 O HIS A 17 -5.813 -11.487 4.002 1.00 71.31 O ATOM 247 CB HIS A 17 -3.385 -11.362 1.614 1.00 71.22 C ATOM 248 CG HIS A 17 -2.608 -11.355 2.899 1.00 3.35 C ATOM 249 ND1 HIS A 17 -2.561 -12.385 3.808 1.00 33.02 N ATOM 250 CD2 HIS A 17 -1.861 -10.318 3.393 1.00 13.23 C ATOM 251 CE1 HIS A 17 -1.798 -11.981 4.832 1.00 24.11 C ATOM 252 NE2 HIS A 17 -1.359 -10.723 4.633 1.00 55.22 N ATOM 0 H HIS A 17 -4.992 -11.177 -0.185 1.00 30.01 H new ATOM 0 HA HIS A 17 -4.876 -12.838 2.083 1.00 45.01 H new ATOM 0 HB2 HIS A 17 -2.905 -12.040 0.909 1.00 71.22 H new ATOM 0 HB3 HIS A 17 -3.354 -10.367 1.171 1.00 71.22 H new ATOM 0 HD1 HIS A 17 -3.022 -13.290 3.719 1.00 33.02 H new ATOM 0 HD2 HIS A 17 -1.692 -9.365 2.914 1.00 13.23 H new ATOM 0 HE1 HIS A 17 -1.566 -12.582 5.699 1.00 24.11 H new ATOM 260 N ALA A 18 -5.783 -9.697 2.652 1.00 22.23 N ATOM 261 CA ALA A 18 -6.410 -8.794 3.598 1.00 41.33 C ATOM 262 C ALA A 18 -7.907 -9.089 3.781 1.00 1.55 C ATOM 263 O ALA A 18 -8.476 -8.570 4.740 1.00 31.25 O ATOM 264 CB ALA A 18 -6.200 -7.383 3.065 1.00 44.14 C ATOM 0 H ALA A 18 -5.561 -9.259 1.758 1.00 22.23 H new ATOM 0 HA ALA A 18 -5.960 -8.919 4.583 1.00 41.33 H new ATOM 0 HB1 ALA A 18 -6.657 -6.665 3.746 1.00 44.14 H new ATOM 0 HB2 ALA A 18 -5.132 -7.179 2.985 1.00 44.14 H new ATOM 0 HB3 ALA A 18 -6.661 -7.293 2.081 1.00 44.14 H new ATOM 270 N GLU A 19 -8.541 -9.901 2.922 1.00 34.23 N ATOM 271 CA GLU A 19 -9.891 -10.414 3.152 1.00 4.10 C ATOM 272 C GLU A 19 -9.916 -11.453 4.280 1.00 61.12 C ATOM 273 O GLU A 19 -10.996 -11.717 4.817 1.00 64.32 O ATOM 274 CB GLU A 19 -10.464 -11.077 1.885 1.00 51.41 C ATOM 275 CG GLU A 19 -11.186 -10.155 0.907 1.00 33.13 C ATOM 276 CD GLU A 19 -11.982 -10.995 -0.098 1.00 61.32 C ATOM 277 OE1 GLU A 19 -13.089 -11.471 0.258 1.00 23.25 O ATOM 278 OE2 GLU A 19 -11.518 -11.216 -1.235 1.00 10.11 O ATOM 0 H GLU A 19 -8.126 -10.219 2.046 1.00 34.23 H new ATOM 0 HA GLU A 19 -10.499 -9.553 3.430 1.00 4.10 H new ATOM 0 HB2 GLU A 19 -9.646 -11.565 1.355 1.00 51.41 H new ATOM 0 HB3 GLU A 19 -11.157 -11.860 2.192 1.00 51.41 H new ATOM 0 HG2 GLU A 19 -11.855 -9.486 1.448 1.00 33.13 H new ATOM 0 HG3 GLU A 19 -10.465 -9.528 0.382 1.00 33.13 H new ATOM 285 N GLU A 20 -8.779 -12.048 4.652 1.00 62.22 N ATOM 286 CA GLU A 20 -8.687 -13.114 5.657 1.00 51.40 C ATOM 287 C GLU A 20 -7.928 -12.661 6.905 1.00 73.00 C ATOM 288 O GLU A 20 -7.877 -13.357 7.921 1.00 14.41 O ATOM 289 CB GLU A 20 -7.984 -14.314 5.007 1.00 72.13 C ATOM 290 CG GLU A 20 -8.178 -15.660 5.720 1.00 41.52 C ATOM 291 CD GLU A 20 -9.584 -16.266 5.593 1.00 74.34 C ATOM 292 OE1 GLU A 20 -10.598 -15.525 5.528 1.00 63.25 O ATOM 293 OE2 GLU A 20 -9.701 -17.513 5.515 1.00 51.10 O ATOM 0 H GLU A 20 -7.874 -11.796 4.254 1.00 62.22 H new ATOM 0 HA GLU A 20 -9.690 -13.385 5.986 1.00 51.40 H new ATOM 0 HB2 GLU A 20 -8.342 -14.411 3.982 1.00 72.13 H new ATOM 0 HB3 GLU A 20 -6.916 -14.102 4.953 1.00 72.13 H new ATOM 0 HG2 GLU A 20 -7.455 -16.372 5.323 1.00 41.52 H new ATOM 0 HG3 GLU A 20 -7.949 -15.530 6.778 1.00 41.52 H new ATOM 300 N THR A 21 -7.317 -11.487 6.843 1.00 14.41 N ATOM 301 CA THR A 21 -6.426 -10.985 7.866 1.00 62.43 C ATOM 302 C THR A 21 -6.823 -9.553 8.216 1.00 55.11 C ATOM 303 O THR A 21 -7.880 -9.058 7.831 1.00 21.33 O ATOM 304 CB THR A 21 -4.967 -11.149 7.404 1.00 5.25 C ATOM 305 OG1 THR A 21 -4.716 -10.386 6.246 1.00 35.25 O ATOM 306 CG2 THR A 21 -4.559 -12.599 7.133 1.00 14.04 C ATOM 0 H THR A 21 -7.433 -10.845 6.059 1.00 14.41 H new ATOM 0 HA THR A 21 -6.511 -11.559 8.789 1.00 62.43 H new ATOM 0 HB THR A 21 -4.365 -10.791 8.239 1.00 5.25 H new ATOM 0 HG1 THR A 21 -5.058 -10.862 5.460 1.00 35.25 H new ATOM 0 HG21 THR A 21 -3.518 -12.630 6.812 1.00 14.04 H new ATOM 0 HG22 THR A 21 -4.676 -13.186 8.044 1.00 14.04 H new ATOM 0 HG23 THR A 21 -5.193 -13.015 6.350 1.00 14.04 H new ATOM 314 N ARG A 22 -5.982 -8.881 8.995 1.00 73.13 N ATOM 315 CA ARG A 22 -6.145 -7.497 9.417 1.00 33.42 C ATOM 316 C ARG A 22 -4.866 -6.803 8.978 1.00 31.30 C ATOM 317 O ARG A 22 -4.040 -6.380 9.792 1.00 64.02 O ATOM 318 CB ARG A 22 -6.439 -7.401 10.927 1.00 52.31 C ATOM 319 CG ARG A 22 -7.824 -7.914 11.366 1.00 72.15 C ATOM 320 CD ARG A 22 -8.005 -9.440 11.261 1.00 0.15 C ATOM 321 NE ARG A 22 -8.546 -10.039 12.497 1.00 10.00 N ATOM 322 CZ ARG A 22 -9.007 -11.290 12.636 1.00 2.31 C ATOM 323 NH1 ARG A 22 -9.080 -12.101 11.588 1.00 73.24 N ATOM 324 NH2 ARG A 22 -9.394 -11.741 13.825 1.00 72.31 N ATOM 0 H ARG A 22 -5.132 -9.306 9.365 1.00 73.13 H new ATOM 0 HA ARG A 22 -7.008 -7.009 8.963 1.00 33.42 H new ATOM 0 HB2 ARG A 22 -5.675 -7.963 11.465 1.00 52.31 H new ATOM 0 HB3 ARG A 22 -6.343 -6.359 11.233 1.00 52.31 H new ATOM 0 HG2 ARG A 22 -7.999 -7.611 12.398 1.00 72.15 H new ATOM 0 HG3 ARG A 22 -8.587 -7.428 10.757 1.00 72.15 H new ATOM 0 HD2 ARG A 22 -8.674 -9.665 10.431 1.00 0.15 H new ATOM 0 HD3 ARG A 22 -7.044 -9.900 11.030 1.00 0.15 H new ATOM 0 HE ARG A 22 -8.571 -9.444 13.325 1.00 10.00 H new ATOM 0 HH11 ARG A 22 -8.784 -11.774 10.668 1.00 73.24 H new ATOM 0 HH12 ARG A 22 -9.432 -13.052 11.702 1.00 73.24 H new ATOM 0 HH21 ARG A 22 -9.342 -11.133 14.643 1.00 72.31 H new ATOM 0 HH22 ARG A 22 -9.743 -12.695 13.920 1.00 72.31 H new ATOM 338 N LYS A 23 -4.635 -6.839 7.669 1.00 4.12 N ATOM 339 CA LYS A 23 -3.532 -6.171 6.990 1.00 73.42 C ATOM 340 C LYS A 23 -4.207 -5.071 6.175 1.00 71.34 C ATOM 341 O LYS A 23 -5.000 -5.384 5.285 1.00 22.43 O ATOM 342 CB LYS A 23 -2.695 -7.160 6.140 1.00 21.41 C ATOM 343 CG LYS A 23 -1.561 -7.879 6.906 1.00 32.35 C ATOM 344 CD LYS A 23 -2.010 -9.023 7.834 1.00 42.22 C ATOM 345 CE LYS A 23 -0.910 -9.453 8.822 1.00 14.33 C ATOM 346 NZ LYS A 23 -0.266 -10.743 8.492 1.00 71.41 N ATOM 0 H LYS A 23 -5.236 -7.356 7.027 1.00 4.12 H new ATOM 0 HA LYS A 23 -2.797 -5.752 7.677 1.00 73.42 H new ATOM 0 HB2 LYS A 23 -3.364 -7.912 5.720 1.00 21.41 H new ATOM 0 HB3 LYS A 23 -2.260 -6.617 5.301 1.00 21.41 H new ATOM 0 HG2 LYS A 23 -0.853 -8.280 6.180 1.00 32.35 H new ATOM 0 HG3 LYS A 23 -1.024 -7.141 7.502 1.00 32.35 H new ATOM 0 HD2 LYS A 23 -2.891 -8.708 8.393 1.00 42.22 H new ATOM 0 HD3 LYS A 23 -2.306 -9.881 7.230 1.00 42.22 H new ATOM 0 HE2 LYS A 23 -0.145 -8.677 8.857 1.00 14.33 H new ATOM 0 HE3 LYS A 23 -1.341 -9.520 9.821 1.00 14.33 H new ATOM 0 HZ1 LYS A 23 0.461 -10.960 9.203 1.00 71.41 H new ATOM 0 HZ2 LYS A 23 -0.982 -11.497 8.487 1.00 71.41 H new ATOM 0 HZ3 LYS A 23 0.177 -10.680 7.553 1.00 71.41 H new ATOM 360 N LEU A 24 -4.015 -3.808 6.558 1.00 54.31 N ATOM 361 CA LEU A 24 -4.673 -2.661 5.931 1.00 74.04 C ATOM 362 C LEU A 24 -3.992 -2.389 4.593 1.00 63.32 C ATOM 363 O LEU A 24 -2.772 -2.496 4.491 1.00 20.13 O ATOM 364 CB LEU A 24 -4.614 -1.444 6.877 1.00 24.14 C ATOM 365 CG LEU A 24 -5.092 -0.117 6.238 1.00 61.21 C ATOM 366 CD1 LEU A 24 -6.036 0.647 7.157 1.00 2.12 C ATOM 367 CD2 LEU A 24 -3.929 0.826 5.925 1.00 64.11 C ATOM 0 H LEU A 24 -3.390 -3.550 7.322 1.00 54.31 H new ATOM 0 HA LEU A 24 -5.727 -2.868 5.745 1.00 74.04 H new ATOM 0 HB2 LEU A 24 -5.225 -1.651 7.756 1.00 24.14 H new ATOM 0 HB3 LEU A 24 -3.589 -1.318 7.224 1.00 24.14 H new ATOM 0 HG LEU A 24 -5.600 -0.412 5.320 1.00 61.21 H new ATOM 0 HD11 LEU A 24 -6.348 1.572 6.671 1.00 2.12 H new ATOM 0 HD12 LEU A 24 -6.913 0.035 7.369 1.00 2.12 H new ATOM 0 HD13 LEU A 24 -5.524 0.882 8.090 1.00 2.12 H new ATOM 0 HD21 LEU A 24 -4.314 1.743 5.478 1.00 64.11 H new ATOM 0 HD22 LEU A 24 -3.398 1.066 6.846 1.00 64.11 H new ATOM 0 HD23 LEU A 24 -3.246 0.342 5.227 1.00 64.11 H new ATOM 379 N MET A 25 -4.747 -1.985 3.576 1.00 73.32 N ATOM 380 CA MET A 25 -4.242 -1.780 2.225 1.00 71.43 C ATOM 381 C MET A 25 -4.363 -0.302 1.831 1.00 34.43 C ATOM 382 O MET A 25 -5.408 0.111 1.322 1.00 0.20 O ATOM 383 CB MET A 25 -4.870 -2.813 1.286 1.00 52.22 C ATOM 384 CG MET A 25 -4.540 -2.615 -0.199 1.00 53.14 C ATOM 385 SD MET A 25 -3.695 -3.991 -1.038 1.00 74.42 S ATOM 386 CE MET A 25 -4.660 -4.023 -2.569 1.00 40.01 C ATOM 0 H MET A 25 -5.743 -1.788 3.670 1.00 73.32 H new ATOM 0 HA MET A 25 -3.171 -1.969 2.152 1.00 71.43 H new ATOM 0 HB2 MET A 25 -4.539 -3.807 1.588 1.00 52.22 H new ATOM 0 HB3 MET A 25 -5.953 -2.786 1.410 1.00 52.22 H new ATOM 0 HG2 MET A 25 -5.470 -2.412 -0.730 1.00 53.14 H new ATOM 0 HG3 MET A 25 -3.918 -1.725 -0.294 1.00 53.14 H new ATOM 0 HE1 MET A 25 -4.515 -4.980 -3.070 1.00 40.01 H new ATOM 0 HE2 MET A 25 -5.717 -3.891 -2.336 1.00 40.01 H new ATOM 0 HE3 MET A 25 -4.330 -3.217 -3.224 1.00 40.01 H new ATOM 396 N PRO A 26 -3.368 0.543 2.164 1.00 63.25 N ATOM 397 CA PRO A 26 -3.413 1.963 1.844 1.00 33.45 C ATOM 398 C PRO A 26 -3.168 2.206 0.344 1.00 73.21 C ATOM 399 O PRO A 26 -2.017 2.181 -0.095 1.00 62.31 O ATOM 400 CB PRO A 26 -2.353 2.591 2.753 1.00 53.40 C ATOM 401 CG PRO A 26 -1.318 1.499 2.972 1.00 24.41 C ATOM 402 CD PRO A 26 -2.111 0.205 2.835 1.00 64.30 C ATOM 0 HA PRO A 26 -4.389 2.413 2.022 1.00 33.45 H new ATOM 0 HB2 PRO A 26 -1.906 3.470 2.288 1.00 53.40 H new ATOM 0 HB3 PRO A 26 -2.788 2.917 3.698 1.00 53.40 H new ATOM 0 HG2 PRO A 26 -0.516 1.556 2.235 1.00 24.41 H new ATOM 0 HG3 PRO A 26 -0.854 1.580 3.955 1.00 24.41 H new ATOM 0 HD2 PRO A 26 -1.551 -0.531 2.258 1.00 64.30 H new ATOM 0 HD3 PRO A 26 -2.302 -0.236 3.813 1.00 64.30 H new ATOM 410 N ILE A 27 -4.220 2.438 -0.448 1.00 62.10 N ATOM 411 CA ILE A 27 -4.164 2.540 -1.914 1.00 53.32 C ATOM 412 C ILE A 27 -4.085 4.020 -2.330 1.00 11.13 C ATOM 413 O ILE A 27 -4.795 4.855 -1.766 1.00 15.44 O ATOM 414 CB ILE A 27 -5.414 1.846 -2.510 1.00 42.10 C ATOM 415 CG1 ILE A 27 -5.412 0.327 -2.214 1.00 51.54 C ATOM 416 CG2 ILE A 27 -5.540 2.057 -4.034 1.00 15.32 C ATOM 417 CD1 ILE A 27 -6.832 -0.251 -2.205 1.00 1.32 C ATOM 0 H ILE A 27 -5.162 2.564 -0.078 1.00 62.10 H new ATOM 0 HA ILE A 27 -3.274 2.042 -2.298 1.00 53.32 H new ATOM 0 HB ILE A 27 -6.271 2.314 -2.025 1.00 42.10 H new ATOM 0 HG12 ILE A 27 -4.814 -0.189 -2.965 1.00 51.54 H new ATOM 0 HG13 ILE A 27 -4.939 0.145 -1.249 1.00 51.54 H new ATOM 0 HG21 ILE A 27 -6.433 1.550 -4.399 1.00 15.32 H new ATOM 0 HG22 ILE A 27 -5.615 3.123 -4.249 1.00 15.32 H new ATOM 0 HG23 ILE A 27 -4.661 1.648 -4.532 1.00 15.32 H new ATOM 0 HD11 ILE A 27 -6.789 -1.319 -1.994 1.00 1.32 H new ATOM 0 HD12 ILE A 27 -7.423 0.247 -1.436 1.00 1.32 H new ATOM 0 HD13 ILE A 27 -7.296 -0.092 -3.179 1.00 1.32 H new ATOM 429 N CYS A 28 -3.274 4.341 -3.344 1.00 12.02 N ATOM 430 CA CYS A 28 -3.166 5.676 -3.907 1.00 42.44 C ATOM 431 C CYS A 28 -4.437 5.961 -4.704 1.00 13.24 C ATOM 432 O CYS A 28 -4.799 5.175 -5.584 1.00 1.50 O ATOM 433 CB CYS A 28 -1.970 5.766 -4.870 1.00 4.41 C ATOM 434 SG CYS A 28 -0.433 5.032 -4.242 1.00 63.41 S ATOM 0 H CYS A 28 -2.666 3.661 -3.800 1.00 12.02 H new ATOM 0 HA CYS A 28 -3.029 6.393 -3.098 1.00 42.44 H new ATOM 0 HB2 CYS A 28 -2.236 5.273 -5.805 1.00 4.41 H new ATOM 0 HB3 CYS A 28 -1.787 6.815 -5.103 1.00 4.41 H new ATOM 0 HG CYS A 28 -0.552 4.800 -2.968 1.00 63.41 H new ATOM 440 N MET A 29 -5.076 7.110 -4.481 1.00 43.52 N ATOM 441 CA MET A 29 -6.265 7.498 -5.231 1.00 41.02 C ATOM 442 C MET A 29 -6.005 7.654 -6.738 1.00 61.11 C ATOM 443 O MET A 29 -6.957 7.629 -7.515 1.00 22.42 O ATOM 444 CB MET A 29 -6.831 8.786 -4.618 1.00 72.10 C ATOM 445 CG MET A 29 -8.269 9.058 -5.064 1.00 11.23 C ATOM 446 SD MET A 29 -9.095 10.409 -4.180 1.00 25.51 S ATOM 447 CE MET A 29 -9.245 9.698 -2.518 1.00 41.31 C ATOM 0 H MET A 29 -4.785 7.792 -3.780 1.00 43.52 H new ATOM 0 HA MET A 29 -6.998 6.695 -5.152 1.00 41.02 H new ATOM 0 HB2 MET A 29 -6.798 8.714 -3.531 1.00 72.10 H new ATOM 0 HB3 MET A 29 -6.200 9.628 -4.901 1.00 72.10 H new ATOM 0 HG2 MET A 29 -8.267 9.287 -6.130 1.00 11.23 H new ATOM 0 HG3 MET A 29 -8.853 8.147 -4.935 1.00 11.23 H new ATOM 0 HE1 MET A 29 -10.288 9.725 -2.204 1.00 41.31 H new ATOM 0 HE2 MET A 29 -8.896 8.665 -2.531 1.00 41.31 H new ATOM 0 HE3 MET A 29 -8.641 10.276 -1.819 1.00 41.31 H new ATOM 457 N ASP A 30 -4.747 7.776 -7.175 1.00 64.41 N ATOM 458 CA ASP A 30 -4.426 8.052 -8.582 1.00 51.11 C ATOM 459 C ASP A 30 -4.164 6.788 -9.390 1.00 15.10 C ATOM 460 O ASP A 30 -3.925 6.873 -10.591 1.00 13.44 O ATOM 461 CB ASP A 30 -3.257 9.042 -8.694 1.00 73.04 C ATOM 462 CG ASP A 30 -3.323 9.829 -10.009 1.00 14.03 C ATOM 463 OD1 ASP A 30 -4.182 10.743 -10.094 1.00 42.50 O ATOM 464 OD2 ASP A 30 -2.553 9.565 -10.958 1.00 34.40 O ATOM 0 H ASP A 30 -3.929 7.688 -6.572 1.00 64.41 H new ATOM 0 HA ASP A 30 -5.311 8.514 -9.020 1.00 51.11 H new ATOM 0 HB2 ASP A 30 -3.280 9.733 -7.852 1.00 73.04 H new ATOM 0 HB3 ASP A 30 -2.312 8.502 -8.637 1.00 73.04 H new ATOM 469 N VAL A 31 -4.236 5.605 -8.774 1.00 1.51 N ATOM 470 CA VAL A 31 -3.797 4.369 -9.406 1.00 2.55 C ATOM 471 C VAL A 31 -5.033 3.560 -9.794 1.00 72.51 C ATOM 472 O VAL A 31 -5.486 2.680 -9.055 1.00 64.44 O ATOM 473 CB VAL A 31 -2.780 3.658 -8.478 1.00 34.44 C ATOM 474 CG1 VAL A 31 -2.272 2.314 -9.013 1.00 64.31 C ATOM 475 CG2 VAL A 31 -1.535 4.538 -8.263 1.00 21.01 C ATOM 0 H VAL A 31 -4.599 5.483 -7.829 1.00 1.51 H new ATOM 0 HA VAL A 31 -3.254 4.536 -10.336 1.00 2.55 H new ATOM 0 HB VAL A 31 -3.332 3.482 -7.555 1.00 34.44 H new ATOM 0 HG11 VAL A 31 -1.565 1.884 -8.304 1.00 64.31 H new ATOM 0 HG12 VAL A 31 -3.113 1.634 -9.145 1.00 64.31 H new ATOM 0 HG13 VAL A 31 -1.776 2.468 -9.971 1.00 64.31 H new ATOM 0 HG21 VAL A 31 -0.833 4.021 -7.609 1.00 21.01 H new ATOM 0 HG22 VAL A 31 -1.058 4.735 -9.223 1.00 21.01 H new ATOM 0 HG23 VAL A 31 -1.831 5.482 -7.805 1.00 21.01 H new ATOM 485 N ARG A 32 -5.601 3.845 -10.977 1.00 25.10 N ATOM 486 CA ARG A 32 -6.744 3.103 -11.518 1.00 53.34 C ATOM 487 C ARG A 32 -6.465 1.608 -11.574 1.00 42.04 C ATOM 488 O ARG A 32 -7.395 0.838 -11.340 1.00 25.14 O ATOM 489 CB ARG A 32 -7.116 3.600 -12.936 1.00 20.41 C ATOM 490 CG ARG A 32 -8.419 4.405 -13.060 1.00 34.04 C ATOM 491 CD ARG A 32 -8.520 5.596 -12.097 1.00 1.22 C ATOM 492 NE ARG A 32 -9.318 6.698 -12.663 1.00 32.53 N ATOM 493 CZ ARG A 32 -8.864 7.841 -13.188 1.00 53.23 C ATOM 494 NH1 ARG A 32 -7.561 8.056 -13.358 1.00 13.51 N ATOM 495 NH2 ARG A 32 -9.731 8.799 -13.477 1.00 55.04 N ATOM 0 H ARG A 32 -5.278 4.598 -11.584 1.00 25.10 H new ATOM 0 HA ARG A 32 -7.580 3.283 -10.842 1.00 53.34 H new ATOM 0 HB2 ARG A 32 -6.297 4.217 -13.307 1.00 20.41 H new ATOM 0 HB3 ARG A 32 -7.186 2.734 -13.594 1.00 20.41 H new ATOM 0 HG2 ARG A 32 -8.510 4.771 -14.083 1.00 34.04 H new ATOM 0 HG3 ARG A 32 -9.263 3.738 -12.884 1.00 34.04 H new ATOM 0 HD2 ARG A 32 -8.969 5.267 -11.160 1.00 1.22 H new ATOM 0 HD3 ARG A 32 -7.519 5.957 -11.861 1.00 1.22 H new ATOM 0 HE ARG A 32 -10.331 6.575 -12.653 1.00 32.53 H new ATOM 0 HH11 ARG A 32 -6.886 7.341 -13.086 1.00 13.51 H new ATOM 0 HH12 ARG A 32 -7.238 8.936 -13.761 1.00 13.51 H new ATOM 0 HH21 ARG A 32 -10.725 8.658 -13.299 1.00 55.04 H new ATOM 0 HH22 ARG A 32 -9.405 9.678 -13.878 1.00 55.04 H new ATOM 509 N ALA A 33 -5.215 1.188 -11.819 1.00 14.41 N ATOM 510 CA ALA A 33 -4.870 -0.226 -11.920 1.00 41.32 C ATOM 511 C ALA A 33 -5.302 -1.029 -10.690 1.00 11.35 C ATOM 512 O ALA A 33 -5.592 -2.222 -10.813 1.00 15.24 O ATOM 513 CB ALA A 33 -3.363 -0.393 -12.134 1.00 63.01 C ATOM 0 H ALA A 33 -4.424 1.819 -11.951 1.00 14.41 H new ATOM 0 HA ALA A 33 -5.415 -0.619 -12.778 1.00 41.32 H new ATOM 0 HB1 ALA A 33 -3.121 -1.453 -12.207 1.00 63.01 H new ATOM 0 HB2 ALA A 33 -3.068 0.111 -13.054 1.00 63.01 H new ATOM 0 HB3 ALA A 33 -2.825 0.044 -11.293 1.00 63.01 H new ATOM 519 N ILE A 34 -5.384 -0.384 -9.526 1.00 30.42 N ATOM 520 CA ILE A 34 -5.802 -0.965 -8.260 1.00 61.33 C ATOM 521 C ILE A 34 -7.208 -0.443 -7.963 1.00 75.51 C ATOM 522 O ILE A 34 -8.141 -1.232 -7.803 1.00 63.14 O ATOM 523 CB ILE A 34 -4.774 -0.580 -7.170 1.00 31.34 C ATOM 524 CG1 ILE A 34 -3.319 -0.922 -7.560 1.00 15.24 C ATOM 525 CG2 ILE A 34 -5.124 -1.209 -5.812 1.00 54.34 C ATOM 526 CD1 ILE A 34 -3.016 -2.408 -7.751 1.00 33.21 C ATOM 0 H ILE A 34 -5.148 0.605 -9.442 1.00 30.42 H new ATOM 0 HA ILE A 34 -5.838 -2.054 -8.291 1.00 61.33 H new ATOM 0 HB ILE A 34 -4.835 0.504 -7.079 1.00 31.34 H new ATOM 0 HG12 ILE A 34 -3.078 -0.399 -8.485 1.00 15.24 H new ATOM 0 HG13 ILE A 34 -2.654 -0.530 -6.790 1.00 15.24 H new ATOM 0 HG21 ILE A 34 -4.379 -0.916 -5.072 1.00 54.34 H new ATOM 0 HG22 ILE A 34 -6.107 -0.863 -5.494 1.00 54.34 H new ATOM 0 HG23 ILE A 34 -5.134 -2.295 -5.906 1.00 54.34 H new ATOM 0 HD11 ILE A 34 -1.968 -2.534 -8.023 1.00 33.21 H new ATOM 0 HD12 ILE A 34 -3.217 -2.943 -6.823 1.00 33.21 H new ATOM 0 HD13 ILE A 34 -3.647 -2.809 -8.544 1.00 33.21 H new ATOM 538 N MET A 35 -7.378 0.883 -7.928 1.00 3.32 N ATOM 539 CA MET A 35 -8.603 1.560 -7.518 1.00 11.25 C ATOM 540 C MET A 35 -9.840 1.073 -8.286 1.00 50.52 C ATOM 541 O MET A 35 -10.916 0.953 -7.694 1.00 11.21 O ATOM 542 CB MET A 35 -8.393 3.083 -7.634 1.00 44.34 C ATOM 543 CG MET A 35 -9.684 3.870 -7.383 1.00 21.14 C ATOM 544 SD MET A 35 -9.532 5.449 -6.506 1.00 41.11 S ATOM 545 CE MET A 35 -9.092 4.880 -4.840 1.00 14.33 C ATOM 0 H MET A 35 -6.638 1.533 -8.194 1.00 3.32 H new ATOM 0 HA MET A 35 -8.810 1.309 -6.478 1.00 11.25 H new ATOM 0 HB2 MET A 35 -7.633 3.398 -6.919 1.00 44.34 H new ATOM 0 HB3 MET A 35 -8.013 3.320 -8.628 1.00 44.34 H new ATOM 0 HG2 MET A 35 -10.155 4.062 -8.347 1.00 21.14 H new ATOM 0 HG3 MET A 35 -10.364 3.233 -6.817 1.00 21.14 H new ATOM 0 HE1 MET A 35 -9.052 5.733 -4.163 1.00 14.33 H new ATOM 0 HE2 MET A 35 -9.842 4.172 -4.487 1.00 14.33 H new ATOM 0 HE3 MET A 35 -8.118 4.392 -4.868 1.00 14.33 H new ATOM 555 N ALA A 36 -9.721 0.762 -9.579 1.00 2.42 N ATOM 556 CA ALA A 36 -10.855 0.296 -10.362 1.00 25.41 C ATOM 557 C ALA A 36 -11.387 -1.040 -9.831 1.00 21.15 C ATOM 558 O ALA A 36 -12.599 -1.227 -9.777 1.00 21.45 O ATOM 559 CB ALA A 36 -10.451 0.157 -11.827 1.00 23.41 C ATOM 0 H ALA A 36 -8.847 0.826 -10.101 1.00 2.42 H new ATOM 0 HA ALA A 36 -11.654 1.032 -10.276 1.00 25.41 H new ATOM 0 HB1 ALA A 36 -11.304 -0.192 -12.408 1.00 23.41 H new ATOM 0 HB2 ALA A 36 -10.124 1.125 -12.208 1.00 23.41 H new ATOM 0 HB3 ALA A 36 -9.635 -0.561 -11.913 1.00 23.41 H new ATOM 565 N THR A 37 -10.518 -1.959 -9.398 1.00 30.30 N ATOM 566 CA THR A 37 -10.945 -3.216 -8.790 1.00 1.04 C ATOM 567 C THR A 37 -11.780 -2.938 -7.548 1.00 14.00 C ATOM 568 O THR A 37 -12.814 -3.582 -7.378 1.00 41.45 O ATOM 569 CB THR A 37 -9.729 -4.107 -8.485 1.00 52.43 C ATOM 570 OG1 THR A 37 -9.284 -4.615 -9.725 1.00 11.14 O ATOM 571 CG2 THR A 37 -10.046 -5.287 -7.554 1.00 22.11 C ATOM 0 H THR A 37 -9.506 -1.851 -9.460 1.00 30.30 H new ATOM 0 HA THR A 37 -11.574 -3.762 -9.493 1.00 1.04 H new ATOM 0 HB THR A 37 -8.981 -3.505 -7.969 1.00 52.43 H new ATOM 0 HG1 THR A 37 -9.173 -5.587 -9.660 1.00 11.14 H new ATOM 0 HG21 THR A 37 -9.141 -5.870 -7.384 1.00 22.11 H new ATOM 0 HG22 THR A 37 -10.418 -4.909 -6.602 1.00 22.11 H new ATOM 0 HG23 THR A 37 -10.804 -5.920 -8.014 1.00 22.11 H new ATOM 579 N ILE A 38 -11.373 -1.981 -6.711 1.00 21.43 N ATOM 580 CA ILE A 38 -12.131 -1.620 -5.525 1.00 71.22 C ATOM 581 C ILE A 38 -13.523 -1.175 -5.983 1.00 1.33 C ATOM 582 O ILE A 38 -14.497 -1.811 -5.598 1.00 4.22 O ATOM 583 CB ILE A 38 -11.349 -0.602 -4.659 1.00 41.42 C ATOM 584 CG1 ILE A 38 -10.190 -1.288 -3.894 1.00 14.50 C ATOM 585 CG2 ILE A 38 -12.262 0.074 -3.623 1.00 30.43 C ATOM 586 CD1 ILE A 38 -8.975 -1.695 -4.733 1.00 75.44 C ATOM 0 H ILE A 38 -10.516 -1.443 -6.840 1.00 21.43 H new ATOM 0 HA ILE A 38 -12.273 -2.466 -4.853 1.00 71.22 H new ATOM 0 HB ILE A 38 -10.953 0.145 -5.347 1.00 41.42 H new ATOM 0 HG12 ILE A 38 -9.853 -0.614 -3.107 1.00 14.50 H new ATOM 0 HG13 ILE A 38 -10.583 -2.179 -3.404 1.00 14.50 H new ATOM 0 HG21 ILE A 38 -11.681 0.782 -3.033 1.00 30.43 H new ATOM 0 HG22 ILE A 38 -13.065 0.603 -4.136 1.00 30.43 H new ATOM 0 HG23 ILE A 38 -12.688 -0.683 -2.965 1.00 30.43 H new ATOM 0 HD11 ILE A 38 -8.230 -2.165 -4.091 1.00 75.44 H new ATOM 0 HD12 ILE A 38 -9.285 -2.400 -5.504 1.00 75.44 H new ATOM 0 HD13 ILE A 38 -8.544 -0.811 -5.202 1.00 75.44 H new ATOM 598 N GLN A 39 -13.614 -0.173 -6.865 1.00 71.33 N ATOM 599 CA GLN A 39 -14.887 0.381 -7.341 1.00 14.03 C ATOM 600 C GLN A 39 -15.746 -0.635 -8.118 1.00 4.43 C ATOM 601 O GLN A 39 -16.914 -0.355 -8.383 1.00 13.44 O ATOM 602 CB GLN A 39 -14.608 1.639 -8.195 1.00 73.43 C ATOM 603 CG GLN A 39 -14.130 2.813 -7.325 1.00 11.23 C ATOM 604 CD GLN A 39 -13.778 4.090 -8.097 1.00 12.11 C ATOM 605 OE1 GLN A 39 -14.346 4.420 -9.139 1.00 41.03 O ATOM 606 NE2 GLN A 39 -12.818 4.848 -7.593 1.00 1.32 N ATOM 0 H GLN A 39 -12.797 0.281 -7.273 1.00 71.33 H new ATOM 0 HA GLN A 39 -15.475 0.648 -6.463 1.00 14.03 H new ATOM 0 HB2 GLN A 39 -13.853 1.410 -8.947 1.00 73.43 H new ATOM 0 HB3 GLN A 39 -15.513 1.926 -8.730 1.00 73.43 H new ATOM 0 HG2 GLN A 39 -14.908 3.048 -6.599 1.00 11.23 H new ATOM 0 HG3 GLN A 39 -13.254 2.494 -6.761 1.00 11.23 H new ATOM 0 HE21 GLN A 39 -12.350 4.571 -6.730 1.00 1.32 H new ATOM 0 HE22 GLN A 39 -12.546 5.709 -8.067 1.00 1.32 H new ATOM 615 N ARG A 40 -15.210 -1.795 -8.507 1.00 71.33 N ATOM 616 CA ARG A 40 -15.948 -2.886 -9.129 1.00 0.55 C ATOM 617 C ARG A 40 -16.430 -3.887 -8.085 1.00 41.32 C ATOM 618 O ARG A 40 -17.629 -4.157 -8.023 1.00 22.22 O ATOM 619 CB ARG A 40 -15.084 -3.535 -10.218 1.00 22.14 C ATOM 620 CG ARG A 40 -15.078 -2.680 -11.495 1.00 42.05 C ATOM 621 CD ARG A 40 -14.450 -3.437 -12.667 1.00 42.04 C ATOM 622 NE ARG A 40 -14.874 -2.882 -13.965 1.00 54.11 N ATOM 623 CZ ARG A 40 -14.501 -3.342 -15.162 1.00 72.33 C ATOM 624 NH1 ARG A 40 -13.760 -4.437 -15.265 1.00 33.21 N ATOM 625 NH2 ARG A 40 -14.889 -2.757 -16.286 1.00 22.34 N ATOM 0 H ARG A 40 -14.218 -2.002 -8.392 1.00 71.33 H new ATOM 0 HA ARG A 40 -16.845 -2.493 -9.607 1.00 0.55 H new ATOM 0 HB2 ARG A 40 -14.064 -3.658 -9.853 1.00 22.14 H new ATOM 0 HB3 ARG A 40 -15.464 -4.531 -10.444 1.00 22.14 H new ATOM 0 HG2 ARG A 40 -16.099 -2.394 -11.749 1.00 42.05 H new ATOM 0 HG3 ARG A 40 -14.524 -1.758 -11.316 1.00 42.05 H new ATOM 0 HD2 ARG A 40 -13.364 -3.392 -12.589 1.00 42.04 H new ATOM 0 HD3 ARG A 40 -14.730 -4.489 -12.612 1.00 42.04 H new ATOM 0 HE ARG A 40 -15.504 -2.080 -13.948 1.00 54.11 H new ATOM 0 HH11 ARG A 40 -13.469 -4.937 -14.425 1.00 33.21 H new ATOM 0 HH12 ARG A 40 -13.481 -4.779 -16.184 1.00 33.21 H new ATOM 0 HH21 ARG A 40 -15.489 -1.933 -16.251 1.00 22.34 H new ATOM 0 HH22 ARG A 40 -14.588 -3.131 -17.186 1.00 22.34 H new ATOM 639 N LYS A 41 -15.521 -4.465 -7.297 1.00 1.13 N ATOM 640 CA LYS A 41 -15.831 -5.468 -6.273 1.00 3.41 C ATOM 641 C LYS A 41 -16.810 -4.873 -5.256 1.00 31.00 C ATOM 642 O LYS A 41 -17.828 -5.472 -4.892 1.00 51.22 O ATOM 643 CB LYS A 41 -14.510 -5.878 -5.602 1.00 64.22 C ATOM 644 CG LYS A 41 -14.455 -7.313 -5.080 1.00 33.40 C ATOM 645 CD LYS A 41 -15.603 -7.784 -4.177 1.00 33.21 C ATOM 646 CE LYS A 41 -15.179 -9.124 -3.543 1.00 32.13 C ATOM 647 NZ LYS A 41 -16.286 -9.847 -2.886 1.00 2.22 N ATOM 0 H LYS A 41 -14.527 -4.245 -7.353 1.00 1.13 H new ATOM 0 HA LYS A 41 -16.302 -6.347 -6.712 1.00 3.41 H new ATOM 0 HB2 LYS A 41 -13.700 -5.739 -6.319 1.00 64.22 H new ATOM 0 HB3 LYS A 41 -14.319 -5.200 -4.770 1.00 64.22 H new ATOM 0 HG2 LYS A 41 -14.407 -7.982 -5.939 1.00 33.40 H new ATOM 0 HG3 LYS A 41 -13.522 -7.435 -4.529 1.00 33.40 H new ATOM 0 HD2 LYS A 41 -15.811 -7.044 -3.404 1.00 33.21 H new ATOM 0 HD3 LYS A 41 -16.519 -7.907 -4.755 1.00 33.21 H new ATOM 0 HE2 LYS A 41 -14.749 -9.761 -4.316 1.00 32.13 H new ATOM 0 HE3 LYS A 41 -14.394 -8.937 -2.810 1.00 32.13 H new ATOM 0 HZ1 LYS A 41 -15.929 -10.737 -2.483 1.00 2.22 H new ATOM 0 HZ2 LYS A 41 -16.683 -9.258 -2.127 1.00 2.22 H new ATOM 0 HZ3 LYS A 41 -17.027 -10.057 -3.585 1.00 2.22 H new ATOM 661 N TYR A 42 -16.459 -3.696 -4.752 1.00 20.41 N ATOM 662 CA TYR A 42 -17.055 -3.070 -3.604 1.00 61.20 C ATOM 663 C TYR A 42 -17.832 -1.874 -4.140 1.00 3.30 C ATOM 664 O TYR A 42 -17.299 -1.102 -4.933 1.00 21.44 O ATOM 665 CB TYR A 42 -15.929 -2.675 -2.639 1.00 40.50 C ATOM 666 CG TYR A 42 -15.068 -3.835 -2.171 1.00 43.31 C ATOM 667 CD1 TYR A 42 -15.643 -4.917 -1.490 1.00 21.31 C ATOM 668 CD2 TYR A 42 -13.689 -3.888 -2.441 1.00 53.13 C ATOM 669 CE1 TYR A 42 -14.898 -6.047 -1.111 1.00 50.22 C ATOM 670 CE2 TYR A 42 -12.927 -5.008 -2.049 1.00 62.03 C ATOM 671 CZ TYR A 42 -13.519 -6.100 -1.378 1.00 43.14 C ATOM 672 OH TYR A 42 -12.779 -7.181 -0.989 1.00 4.41 O ATOM 0 H TYR A 42 -15.713 -3.134 -5.162 1.00 20.41 H new ATOM 0 HA TYR A 42 -17.735 -3.716 -3.048 1.00 61.20 H new ATOM 0 HB2 TYR A 42 -15.291 -1.938 -3.127 1.00 40.50 H new ATOM 0 HB3 TYR A 42 -16.368 -2.189 -1.767 1.00 40.50 H new ATOM 0 HD1 TYR A 42 -16.695 -4.881 -1.248 1.00 21.31 H new ATOM 0 HD2 TYR A 42 -13.210 -3.066 -2.952 1.00 53.13 H new ATOM 0 HE1 TYR A 42 -15.385 -6.874 -0.615 1.00 50.22 H new ATOM 0 HE2 TYR A 42 -11.869 -5.031 -2.266 1.00 62.03 H new ATOM 0 HH TYR A 42 -11.845 -7.051 -1.255 1.00 4.41 H new ATOM 682 N LYS A 43 -19.109 -1.746 -3.786 1.00 44.52 N ATOM 683 CA LYS A 43 -20.002 -0.752 -4.377 1.00 11.55 C ATOM 684 C LYS A 43 -20.485 0.288 -3.372 1.00 23.14 C ATOM 685 O LYS A 43 -20.685 1.446 -3.730 1.00 23.31 O ATOM 686 CB LYS A 43 -21.163 -1.469 -5.085 1.00 22.43 C ATOM 687 CG LYS A 43 -20.695 -2.242 -6.332 1.00 34.40 C ATOM 688 CD LYS A 43 -20.530 -1.300 -7.533 1.00 73.34 C ATOM 689 CE LYS A 43 -19.668 -1.830 -8.685 1.00 34.03 C ATOM 690 NZ LYS A 43 -20.021 -3.191 -9.128 1.00 50.43 N ATOM 0 H LYS A 43 -19.555 -2.331 -3.079 1.00 44.52 H new ATOM 0 HA LYS A 43 -19.438 -0.183 -5.116 1.00 11.55 H new ATOM 0 HB2 LYS A 43 -21.640 -2.159 -4.389 1.00 22.43 H new ATOM 0 HB3 LYS A 43 -21.917 -0.737 -5.375 1.00 22.43 H new ATOM 0 HG2 LYS A 43 -19.748 -2.739 -6.122 1.00 34.40 H new ATOM 0 HG3 LYS A 43 -21.417 -3.022 -6.573 1.00 34.40 H new ATOM 0 HD2 LYS A 43 -21.520 -1.064 -7.924 1.00 73.34 H new ATOM 0 HD3 LYS A 43 -20.095 -0.365 -7.180 1.00 73.34 H new ATOM 0 HE2 LYS A 43 -19.756 -1.150 -9.532 1.00 34.03 H new ATOM 0 HE3 LYS A 43 -18.623 -1.820 -8.376 1.00 34.03 H new ATOM 0 HZ1 LYS A 43 -19.290 -3.860 -8.811 1.00 50.43 H new ATOM 0 HZ2 LYS A 43 -20.939 -3.462 -8.720 1.00 50.43 H new ATOM 0 HZ3 LYS A 43 -20.084 -3.213 -10.166 1.00 50.43 H new ATOM 704 N GLY A 44 -20.697 -0.073 -2.110 1.00 62.15 N ATOM 705 CA GLY A 44 -21.082 0.861 -1.048 1.00 63.42 C ATOM 706 C GLY A 44 -19.895 1.599 -0.420 1.00 13.42 C ATOM 707 O GLY A 44 -20.082 2.489 0.413 1.00 55.34 O ATOM 0 H GLY A 44 -20.606 -1.036 -1.788 1.00 62.15 H new ATOM 0 HA2 GLY A 44 -21.780 1.593 -1.455 1.00 63.42 H new ATOM 0 HA3 GLY A 44 -21.612 0.314 -0.269 1.00 63.42 H new ATOM 711 N ILE A 45 -18.669 1.264 -0.822 1.00 31.14 N ATOM 712 CA ILE A 45 -17.453 1.967 -0.423 1.00 30.11 C ATOM 713 C ILE A 45 -17.506 3.415 -0.923 1.00 11.13 C ATOM 714 O ILE A 45 -17.913 3.689 -2.058 1.00 22.22 O ATOM 715 CB ILE A 45 -16.205 1.192 -0.913 1.00 52.15 C ATOM 716 CG1 ILE A 45 -14.869 1.925 -0.646 1.00 12.23 C ATOM 717 CG2 ILE A 45 -16.320 0.711 -2.372 1.00 2.20 C ATOM 718 CD1 ILE A 45 -14.351 2.776 -1.813 1.00 0.42 C ATOM 0 H ILE A 45 -18.491 0.479 -1.448 1.00 31.14 H new ATOM 0 HA ILE A 45 -17.380 2.011 0.664 1.00 30.11 H new ATOM 0 HB ILE A 45 -16.182 0.296 -0.293 1.00 52.15 H new ATOM 0 HG12 ILE A 45 -14.993 2.568 0.226 1.00 12.23 H new ATOM 0 HG13 ILE A 45 -14.111 1.185 -0.391 1.00 12.23 H new ATOM 0 HG21 ILE A 45 -15.412 0.176 -2.651 1.00 2.20 H new ATOM 0 HG22 ILE A 45 -17.178 0.046 -2.469 1.00 2.20 H new ATOM 0 HG23 ILE A 45 -16.451 1.571 -3.029 1.00 2.20 H new ATOM 0 HD11 ILE A 45 -13.411 3.249 -1.529 1.00 0.42 H new ATOM 0 HD12 ILE A 45 -14.189 2.140 -2.683 1.00 0.42 H new ATOM 0 HD13 ILE A 45 -15.085 3.544 -2.057 1.00 0.42 H new ATOM 730 N LYS A 46 -17.124 4.340 -0.044 1.00 13.52 N ATOM 731 CA LYS A 46 -16.898 5.736 -0.365 1.00 54.41 C ATOM 732 C LYS A 46 -15.472 5.899 -0.871 1.00 21.45 C ATOM 733 O LYS A 46 -14.544 5.448 -0.207 1.00 0.34 O ATOM 734 CB LYS A 46 -17.127 6.540 0.922 1.00 45.43 C ATOM 735 CG LYS A 46 -16.788 8.024 0.779 1.00 70.11 C ATOM 736 CD LYS A 46 -17.541 8.774 -0.306 1.00 43.24 C ATOM 737 CE LYS A 46 -19.048 8.833 -0.029 1.00 61.54 C ATOM 738 NZ LYS A 46 -19.821 8.874 -1.283 1.00 13.04 N ATOM 0 H LYS A 46 -16.960 4.125 0.940 1.00 13.52 H new ATOM 0 HA LYS A 46 -17.574 6.091 -1.143 1.00 54.41 H new ATOM 0 HB2 LYS A 46 -18.170 6.440 1.223 1.00 45.43 H new ATOM 0 HB3 LYS A 46 -16.522 6.112 1.721 1.00 45.43 H new ATOM 0 HG2 LYS A 46 -16.980 8.514 1.733 1.00 70.11 H new ATOM 0 HG3 LYS A 46 -15.720 8.116 0.583 1.00 70.11 H new ATOM 0 HD2 LYS A 46 -17.148 9.788 -0.385 1.00 43.24 H new ATOM 0 HD3 LYS A 46 -17.368 8.290 -1.267 1.00 43.24 H new ATOM 0 HE2 LYS A 46 -19.347 7.964 0.557 1.00 61.54 H new ATOM 0 HE3 LYS A 46 -19.276 9.715 0.570 1.00 61.54 H new ATOM 0 HZ1 LYS A 46 -20.837 8.914 -1.064 1.00 13.04 H new ATOM 0 HZ2 LYS A 46 -19.552 9.717 -1.829 1.00 13.04 H new ATOM 0 HZ3 LYS A 46 -19.621 8.020 -1.842 1.00 13.04 H new ATOM 752 N ILE A 47 -15.284 6.589 -1.995 1.00 11.50 N ATOM 753 CA ILE A 47 -13.983 7.158 -2.327 1.00 23.15 C ATOM 754 C ILE A 47 -13.951 8.512 -1.630 1.00 72.11 C ATOM 755 O ILE A 47 -14.785 9.371 -1.926 1.00 21.03 O ATOM 756 CB ILE A 47 -13.761 7.297 -3.848 1.00 71.23 C ATOM 757 CG1 ILE A 47 -14.212 6.052 -4.639 1.00 63.31 C ATOM 758 CG2 ILE A 47 -12.280 7.621 -4.117 1.00 60.02 C ATOM 759 CD1 ILE A 47 -13.397 4.797 -4.308 1.00 52.42 C ATOM 0 H ILE A 47 -16.013 6.766 -2.686 1.00 11.50 H new ATOM 0 HA ILE A 47 -13.176 6.505 -1.994 1.00 23.15 H new ATOM 0 HB ILE A 47 -14.387 8.115 -4.203 1.00 71.23 H new ATOM 0 HG12 ILE A 47 -15.264 5.859 -4.431 1.00 63.31 H new ATOM 0 HG13 ILE A 47 -14.131 6.259 -5.706 1.00 63.31 H new ATOM 0 HG21 ILE A 47 -12.118 7.720 -5.190 1.00 60.02 H new ATOM 0 HG22 ILE A 47 -12.016 8.556 -3.623 1.00 60.02 H new ATOM 0 HG23 ILE A 47 -11.655 6.817 -3.729 1.00 60.02 H new ATOM 0 HD11 ILE A 47 -13.765 3.958 -4.898 1.00 52.42 H new ATOM 0 HD12 ILE A 47 -12.347 4.973 -4.543 1.00 52.42 H new ATOM 0 HD13 ILE A 47 -13.498 4.567 -3.247 1.00 52.42 H new ATOM 771 N GLN A 48 -13.037 8.664 -0.685 1.00 52.34 N ATOM 772 CA GLN A 48 -12.709 9.909 -0.017 1.00 63.04 C ATOM 773 C GLN A 48 -11.246 9.836 0.351 1.00 24.01 C ATOM 774 O GLN A 48 -10.634 8.777 0.226 1.00 14.21 O ATOM 775 CB GLN A 48 -13.598 10.104 1.221 1.00 15.12 C ATOM 776 CG GLN A 48 -13.495 8.932 2.211 1.00 53.34 C ATOM 777 CD GLN A 48 -13.946 9.323 3.607 1.00 21.45 C ATOM 778 OE1 GLN A 48 -14.962 8.844 4.097 1.00 50.13 O ATOM 779 NE2 GLN A 48 -13.197 10.167 4.299 1.00 31.21 N ATOM 0 H GLN A 48 -12.477 7.881 -0.348 1.00 52.34 H new ATOM 0 HA GLN A 48 -12.889 10.767 -0.665 1.00 63.04 H new ATOM 0 HB2 GLN A 48 -13.315 11.028 1.726 1.00 15.12 H new ATOM 0 HB3 GLN A 48 -14.635 10.218 0.905 1.00 15.12 H new ATOM 0 HG2 GLN A 48 -14.103 8.101 1.853 1.00 53.34 H new ATOM 0 HG3 GLN A 48 -12.464 8.579 2.249 1.00 53.34 H new ATOM 0 HE21 GLN A 48 -12.353 10.560 3.882 1.00 31.21 H new ATOM 0 HE22 GLN A 48 -13.464 10.424 5.249 1.00 31.21 H new ATOM 788 N GLU A 49 -10.703 10.925 0.875 1.00 24.33 N ATOM 789 CA GLU A 49 -9.418 10.871 1.523 1.00 62.03 C ATOM 790 C GLU A 49 -9.713 10.480 2.969 1.00 42.04 C ATOM 791 O GLU A 49 -10.553 11.124 3.610 1.00 40.32 O ATOM 792 CB GLU A 49 -8.739 12.240 1.465 1.00 32.42 C ATOM 793 CG GLU A 49 -8.380 12.711 0.049 1.00 33.10 C ATOM 794 CD GLU A 49 -8.530 14.225 -0.050 1.00 52.33 C ATOM 795 OE1 GLU A 49 -7.709 14.973 0.529 1.00 1.12 O ATOM 796 OE2 GLU A 49 -9.527 14.709 -0.633 1.00 32.14 O ATOM 0 H GLU A 49 -11.136 11.848 0.860 1.00 24.33 H new ATOM 0 HA GLU A 49 -8.745 10.161 1.041 1.00 62.03 H new ATOM 0 HB2 GLU A 49 -9.397 12.978 1.924 1.00 32.42 H new ATOM 0 HB3 GLU A 49 -7.830 12.207 2.065 1.00 32.42 H new ATOM 0 HG2 GLU A 49 -7.357 12.422 -0.191 1.00 33.10 H new ATOM 0 HG3 GLU A 49 -9.028 12.225 -0.680 1.00 33.10 H new ATOM 803 N GLY A 50 -9.047 9.458 3.498 1.00 64.31 N ATOM 804 CA GLY A 50 -9.186 9.032 4.887 1.00 43.31 C ATOM 805 C GLY A 50 -9.266 7.513 5.003 1.00 41.12 C ATOM 806 O GLY A 50 -9.092 6.789 4.023 1.00 50.55 O ATOM 0 H GLY A 50 -8.385 8.894 2.965 1.00 64.31 H new ATOM 0 HA2 GLY A 50 -8.339 9.398 5.467 1.00 43.31 H new ATOM 0 HA3 GLY A 50 -10.083 9.478 5.317 1.00 43.31 H new ATOM 810 N ILE A 51 -9.558 7.007 6.203 1.00 33.04 N ATOM 811 CA ILE A 51 -9.947 5.610 6.405 1.00 35.34 C ATOM 812 C ILE A 51 -11.331 5.409 5.770 1.00 14.03 C ATOM 813 O ILE A 51 -12.136 6.345 5.733 1.00 35.43 O ATOM 814 CB ILE A 51 -9.977 5.307 7.925 1.00 22.52 C ATOM 815 CG1 ILE A 51 -8.575 5.379 8.577 1.00 42.13 C ATOM 816 CG2 ILE A 51 -10.633 3.956 8.248 1.00 1.11 C ATOM 817 CD1 ILE A 51 -7.635 4.214 8.229 1.00 73.32 C ATOM 0 H ILE A 51 -9.531 7.555 7.063 1.00 33.04 H new ATOM 0 HA ILE A 51 -9.236 4.928 5.939 1.00 35.34 H new ATOM 0 HB ILE A 51 -10.593 6.096 8.357 1.00 22.52 H new ATOM 0 HG12 ILE A 51 -8.099 6.312 8.276 1.00 42.13 H new ATOM 0 HG13 ILE A 51 -8.696 5.417 9.660 1.00 42.13 H new ATOM 0 HG21 ILE A 51 -10.626 3.797 9.326 1.00 1.11 H new ATOM 0 HG22 ILE A 51 -11.662 3.956 7.888 1.00 1.11 H new ATOM 0 HG23 ILE A 51 -10.077 3.156 7.760 1.00 1.11 H new ATOM 0 HD11 ILE A 51 -6.679 4.355 8.733 1.00 73.32 H new ATOM 0 HD12 ILE A 51 -8.083 3.275 8.556 1.00 73.32 H new ATOM 0 HD13 ILE A 51 -7.476 4.184 7.151 1.00 73.32 H new ATOM 829 N VAL A 52 -11.611 4.187 5.314 1.00 55.53 N ATOM 830 CA VAL A 52 -12.963 3.710 5.049 1.00 24.42 C ATOM 831 C VAL A 52 -13.072 2.327 5.722 1.00 75.31 C ATOM 832 O VAL A 52 -12.058 1.663 5.979 1.00 43.42 O ATOM 833 CB VAL A 52 -13.261 3.728 3.522 1.00 74.10 C ATOM 834 CG1 VAL A 52 -13.062 5.114 2.886 1.00 4.21 C ATOM 835 CG2 VAL A 52 -12.494 2.646 2.763 1.00 20.43 C ATOM 0 H VAL A 52 -10.891 3.492 5.116 1.00 55.53 H new ATOM 0 HA VAL A 52 -13.733 4.356 5.470 1.00 24.42 H new ATOM 0 HB VAL A 52 -14.322 3.494 3.430 1.00 74.10 H new ATOM 0 HG11 VAL A 52 -13.285 5.061 1.820 1.00 4.21 H new ATOM 0 HG12 VAL A 52 -13.730 5.832 3.361 1.00 4.21 H new ATOM 0 HG13 VAL A 52 -12.029 5.433 3.025 1.00 4.21 H new ATOM 0 HG21 VAL A 52 -12.738 2.703 1.702 1.00 20.43 H new ATOM 0 HG22 VAL A 52 -11.423 2.797 2.897 1.00 20.43 H new ATOM 0 HG23 VAL A 52 -12.773 1.665 3.147 1.00 20.43 H new ATOM 845 N ASP A 53 -14.281 1.841 5.985 1.00 72.44 N ATOM 846 CA ASP A 53 -14.584 0.490 6.477 1.00 64.42 C ATOM 847 C ASP A 53 -15.653 -0.160 5.592 1.00 22.14 C ATOM 848 O ASP A 53 -16.854 0.027 5.814 1.00 31.13 O ATOM 849 CB ASP A 53 -14.972 0.487 7.957 1.00 31.25 C ATOM 850 CG ASP A 53 -15.722 -0.785 8.369 1.00 73.33 C ATOM 851 OD1 ASP A 53 -15.295 -1.899 7.939 1.00 51.14 O ATOM 852 OD2 ASP A 53 -16.742 -0.658 9.072 1.00 25.20 O ATOM 0 H ASP A 53 -15.123 2.403 5.856 1.00 72.44 H new ATOM 0 HA ASP A 53 -13.677 -0.111 6.410 1.00 64.42 H new ATOM 0 HB2 ASP A 53 -14.072 0.586 8.564 1.00 31.25 H new ATOM 0 HB3 ASP A 53 -15.596 1.356 8.167 1.00 31.25 H new ATOM 857 N TYR A 54 -15.224 -0.903 4.571 1.00 51.32 N ATOM 858 CA TYR A 54 -16.113 -1.618 3.663 1.00 43.21 C ATOM 859 C TYR A 54 -15.365 -2.790 3.006 1.00 43.23 C ATOM 860 O TYR A 54 -14.712 -2.649 1.972 1.00 3.43 O ATOM 861 CB TYR A 54 -16.701 -0.629 2.639 1.00 22.15 C ATOM 862 CG TYR A 54 -17.865 -1.177 1.833 1.00 54.31 C ATOM 863 CD1 TYR A 54 -17.615 -1.889 0.653 1.00 63.21 C ATOM 864 CD2 TYR A 54 -19.196 -0.963 2.240 1.00 34.31 C ATOM 865 CE1 TYR A 54 -18.677 -2.361 -0.136 1.00 1.53 C ATOM 866 CE2 TYR A 54 -20.272 -1.436 1.462 1.00 73.42 C ATOM 867 CZ TYR A 54 -20.012 -2.132 0.258 1.00 11.43 C ATOM 868 OH TYR A 54 -21.007 -2.558 -0.571 1.00 12.03 O ATOM 0 H TYR A 54 -14.235 -1.025 4.351 1.00 51.32 H new ATOM 0 HA TYR A 54 -16.949 -2.051 4.212 1.00 43.21 H new ATOM 0 HB2 TYR A 54 -17.030 0.267 3.165 1.00 22.15 H new ATOM 0 HB3 TYR A 54 -15.911 -0.324 1.952 1.00 22.15 H new ATOM 0 HD1 TYR A 54 -16.596 -2.077 0.347 1.00 63.21 H new ATOM 0 HD2 TYR A 54 -19.395 -0.431 3.158 1.00 34.31 H new ATOM 0 HE1 TYR A 54 -18.471 -2.901 -1.048 1.00 1.53 H new ATOM 0 HE2 TYR A 54 -21.289 -1.268 1.783 1.00 73.42 H new ATOM 0 HH TYR A 54 -21.877 -2.337 -0.178 1.00 12.03 H new ATOM 878 N GLY A 55 -15.469 -3.983 3.582 1.00 71.11 N ATOM 879 CA GLY A 55 -14.964 -5.205 2.955 1.00 1.23 C ATOM 880 C GLY A 55 -13.529 -5.538 3.348 1.00 74.21 C ATOM 881 O GLY A 55 -13.292 -6.563 3.989 1.00 0.40 O ATOM 0 H GLY A 55 -15.903 -4.133 4.493 1.00 71.11 H new ATOM 0 HA2 GLY A 55 -15.611 -6.039 3.228 1.00 1.23 H new ATOM 0 HA3 GLY A 55 -15.021 -5.099 1.872 1.00 1.23 H new ATOM 885 N VAL A 56 -12.574 -4.693 2.968 1.00 70.24 N ATOM 886 CA VAL A 56 -11.164 -4.792 3.339 1.00 25.25 C ATOM 887 C VAL A 56 -10.740 -3.393 3.758 1.00 20.22 C ATOM 888 O VAL A 56 -10.968 -2.450 3.003 1.00 14.12 O ATOM 889 CB VAL A 56 -10.311 -5.314 2.164 1.00 64.41 C ATOM 890 CG1 VAL A 56 -8.811 -5.222 2.477 1.00 62.42 C ATOM 891 CG2 VAL A 56 -10.635 -6.776 1.830 1.00 31.31 C ATOM 0 H VAL A 56 -12.768 -3.890 2.370 1.00 70.24 H new ATOM 0 HA VAL A 56 -11.018 -5.505 4.151 1.00 25.25 H new ATOM 0 HB VAL A 56 -10.554 -4.681 1.311 1.00 64.41 H new ATOM 0 HG11 VAL A 56 -8.239 -5.598 1.629 1.00 62.42 H new ATOM 0 HG12 VAL A 56 -8.542 -4.183 2.665 1.00 62.42 H new ATOM 0 HG13 VAL A 56 -8.586 -5.820 3.360 1.00 62.42 H new ATOM 0 HG21 VAL A 56 -10.013 -7.105 0.998 1.00 31.31 H new ATOM 0 HG22 VAL A 56 -10.436 -7.401 2.701 1.00 31.31 H new ATOM 0 HG23 VAL A 56 -11.686 -6.862 1.554 1.00 31.31 H new ATOM 901 N ARG A 57 -10.158 -3.263 4.954 1.00 1.02 N ATOM 902 CA ARG A 57 -9.758 -1.989 5.544 1.00 21.40 C ATOM 903 C ARG A 57 -8.802 -1.251 4.594 1.00 33.03 C ATOM 904 O ARG A 57 -7.653 -1.676 4.437 1.00 42.21 O ATOM 905 CB ARG A 57 -9.123 -2.241 6.927 1.00 60.25 C ATOM 906 CG ARG A 57 -10.160 -2.687 7.971 1.00 35.10 C ATOM 907 CD ARG A 57 -9.521 -3.072 9.317 1.00 51.10 C ATOM 908 NE ARG A 57 -10.574 -3.294 10.325 1.00 1.51 N ATOM 909 CZ ARG A 57 -10.418 -3.420 11.649 1.00 12.20 C ATOM 910 NH1 ARG A 57 -9.220 -3.436 12.212 1.00 3.14 N ATOM 911 NH2 ARG A 57 -11.481 -3.512 12.435 1.00 41.01 N ATOM 0 H ARG A 57 -9.948 -4.063 5.551 1.00 1.02 H new ATOM 0 HA ARG A 57 -10.630 -1.351 5.688 1.00 21.40 H new ATOM 0 HB2 ARG A 57 -8.350 -3.004 6.836 1.00 60.25 H new ATOM 0 HB3 ARG A 57 -8.633 -1.330 7.271 1.00 60.25 H new ATOM 0 HG2 ARG A 57 -10.877 -1.882 8.131 1.00 35.10 H new ATOM 0 HG3 ARG A 57 -10.718 -3.539 7.582 1.00 35.10 H new ATOM 0 HD2 ARG A 57 -8.921 -3.974 9.200 1.00 51.10 H new ATOM 0 HD3 ARG A 57 -8.847 -2.282 9.649 1.00 51.10 H new ATOM 0 HE ARG A 57 -11.530 -3.359 9.974 1.00 1.51 H new ATOM 0 HH11 ARG A 57 -8.384 -3.351 11.634 1.00 3.14 H new ATOM 0 HH12 ARG A 57 -9.133 -3.533 13.224 1.00 3.14 H new ATOM 0 HH21 ARG A 57 -12.417 -3.487 12.031 1.00 41.01 H new ATOM 0 HH22 ARG A 57 -11.363 -3.608 13.444 1.00 41.01 H new ATOM 925 N PHE A 58 -9.253 -0.154 3.976 1.00 44.41 N ATOM 926 CA PHE A 58 -8.414 0.686 3.113 1.00 33.35 C ATOM 927 C PHE A 58 -8.180 2.059 3.741 1.00 15.33 C ATOM 928 O PHE A 58 -8.977 2.542 4.556 1.00 44.04 O ATOM 929 CB PHE A 58 -9.028 0.840 1.705 1.00 2.43 C ATOM 930 CG PHE A 58 -9.241 -0.429 0.896 1.00 10.02 C ATOM 931 CD1 PHE A 58 -8.344 -1.507 0.979 1.00 1.04 C ATOM 932 CD2 PHE A 58 -10.353 -0.535 0.043 1.00 33.45 C ATOM 933 CE1 PHE A 58 -8.572 -2.688 0.252 1.00 72.33 C ATOM 934 CE2 PHE A 58 -10.617 -1.734 -0.639 1.00 52.43 C ATOM 935 CZ PHE A 58 -9.725 -2.811 -0.538 1.00 31.41 C ATOM 0 H PHE A 58 -10.214 0.178 4.060 1.00 44.41 H new ATOM 0 HA PHE A 58 -7.452 0.184 3.011 1.00 33.35 H new ATOM 0 HB2 PHE A 58 -9.991 1.339 1.810 1.00 2.43 H new ATOM 0 HB3 PHE A 58 -8.386 1.505 1.127 1.00 2.43 H new ATOM 0 HD1 PHE A 58 -7.470 -1.427 1.608 1.00 1.04 H new ATOM 0 HD2 PHE A 58 -11.010 0.312 -0.089 1.00 33.45 H new ATOM 0 HE1 PHE A 58 -7.861 -3.499 0.301 1.00 72.33 H new ATOM 0 HE2 PHE A 58 -11.508 -1.827 -1.242 1.00 52.43 H new ATOM 0 HZ PHE A 58 -9.925 -3.732 -1.066 1.00 31.41 H new ATOM 945 N PHE A 59 -7.118 2.728 3.287 1.00 51.32 N ATOM 946 CA PHE A 59 -6.754 4.098 3.627 1.00 70.11 C ATOM 947 C PHE A 59 -6.332 4.811 2.341 1.00 54.04 C ATOM 948 O PHE A 59 -5.235 4.559 1.845 1.00 33.21 O ATOM 949 CB PHE A 59 -5.638 4.096 4.673 1.00 44.33 C ATOM 950 CG PHE A 59 -5.159 5.482 5.044 1.00 13.14 C ATOM 951 CD1 PHE A 59 -5.976 6.311 5.833 1.00 61.30 C ATOM 952 CD2 PHE A 59 -3.922 5.961 4.574 1.00 53.31 C ATOM 953 CE1 PHE A 59 -5.556 7.607 6.164 1.00 33.14 C ATOM 954 CE2 PHE A 59 -3.497 7.256 4.912 1.00 62.42 C ATOM 955 CZ PHE A 59 -4.320 8.078 5.698 1.00 2.11 C ATOM 0 H PHE A 59 -6.456 2.303 2.638 1.00 51.32 H new ATOM 0 HA PHE A 59 -7.600 4.630 4.063 1.00 70.11 H new ATOM 0 HB2 PHE A 59 -5.993 3.590 5.571 1.00 44.33 H new ATOM 0 HB3 PHE A 59 -4.795 3.518 4.293 1.00 44.33 H new ATOM 0 HD1 PHE A 59 -6.930 5.948 6.185 1.00 61.30 H new ATOM 0 HD2 PHE A 59 -3.300 5.333 3.954 1.00 53.31 H new ATOM 0 HE1 PHE A 59 -6.182 8.240 6.775 1.00 33.14 H new ATOM 0 HE2 PHE A 59 -2.540 7.619 4.568 1.00 62.42 H new ATOM 0 HZ PHE A 59 -3.999 9.079 5.945 1.00 2.11 H new ATOM 965 N PHE A 60 -7.203 5.644 1.777 1.00 33.22 N ATOM 966 CA PHE A 60 -6.952 6.395 0.559 1.00 64.54 C ATOM 967 C PHE A 60 -6.353 7.760 0.879 1.00 52.44 C ATOM 968 O PHE A 60 -6.630 8.379 1.915 1.00 52.34 O ATOM 969 CB PHE A 60 -8.260 6.617 -0.203 1.00 71.50 C ATOM 970 CG PHE A 60 -9.036 5.371 -0.573 1.00 33.12 C ATOM 971 CD1 PHE A 60 -8.451 4.394 -1.400 1.00 13.14 C ATOM 972 CD2 PHE A 60 -10.339 5.183 -0.072 1.00 25.23 C ATOM 973 CE1 PHE A 60 -9.166 3.220 -1.706 1.00 20.32 C ATOM 974 CE2 PHE A 60 -11.042 4.006 -0.360 1.00 2.43 C ATOM 975 CZ PHE A 60 -10.458 3.027 -1.182 1.00 35.11 C ATOM 0 H PHE A 60 -8.128 5.817 2.169 1.00 33.22 H new ATOM 0 HA PHE A 60 -6.253 5.819 -0.047 1.00 64.54 H new ATOM 0 HB2 PHE A 60 -8.905 7.256 0.401 1.00 71.50 H new ATOM 0 HB3 PHE A 60 -8.035 7.165 -1.118 1.00 71.50 H new ATOM 0 HD1 PHE A 60 -7.458 4.544 -1.798 1.00 13.14 H new ATOM 0 HD2 PHE A 60 -10.798 5.949 0.536 1.00 25.23 H new ATOM 0 HE1 PHE A 60 -8.723 2.468 -2.342 1.00 20.32 H new ATOM 0 HE2 PHE A 60 -12.030 3.851 0.048 1.00 2.43 H new ATOM 0 HZ PHE A 60 -11.003 2.123 -1.412 1.00 35.11 H new ATOM 985 N TYR A 61 -5.594 8.271 -0.081 1.00 13.21 N ATOM 986 CA TYR A 61 -4.900 9.548 -0.048 1.00 2.45 C ATOM 987 C TYR A 61 -4.753 10.023 -1.487 1.00 42.34 C ATOM 988 O TYR A 61 -4.587 9.211 -2.404 1.00 54.11 O ATOM 989 CB TYR A 61 -3.515 9.385 0.605 1.00 42.14 C ATOM 990 CG TYR A 61 -2.772 8.123 0.207 1.00 21.52 C ATOM 991 CD1 TYR A 61 -3.043 6.925 0.892 1.00 33.42 C ATOM 992 CD2 TYR A 61 -1.873 8.121 -0.875 1.00 63.31 C ATOM 993 CE1 TYR A 61 -2.465 5.723 0.469 1.00 24.40 C ATOM 994 CE2 TYR A 61 -1.249 6.923 -1.268 1.00 2.25 C ATOM 995 CZ TYR A 61 -1.560 5.711 -0.612 1.00 34.12 C ATOM 996 OH TYR A 61 -0.995 4.544 -1.025 1.00 14.34 O ATOM 0 H TYR A 61 -5.438 7.773 -0.957 1.00 13.21 H new ATOM 0 HA TYR A 61 -5.461 10.275 0.540 1.00 2.45 H new ATOM 0 HB2 TYR A 61 -2.902 10.248 0.346 1.00 42.14 H new ATOM 0 HB3 TYR A 61 -3.636 9.393 1.688 1.00 42.14 H new ATOM 0 HD1 TYR A 61 -3.700 6.933 1.749 1.00 33.42 H new ATOM 0 HD2 TYR A 61 -1.662 9.039 -1.404 1.00 63.31 H new ATOM 0 HE1 TYR A 61 -2.713 4.800 0.973 1.00 24.40 H new ATOM 0 HE2 TYR A 61 -0.530 6.930 -2.074 1.00 2.25 H new ATOM 0 HH TYR A 61 -1.524 3.789 -0.693 1.00 14.34 H new ATOM 1006 N THR A 62 -4.820 11.337 -1.681 1.00 35.43 N ATOM 1007 CA THR A 62 -4.493 11.952 -2.956 1.00 62.33 C ATOM 1008 C THR A 62 -2.970 11.987 -3.082 1.00 74.53 C ATOM 1009 O THR A 62 -2.275 12.367 -2.139 1.00 14.21 O ATOM 1010 CB THR A 62 -5.136 13.348 -3.081 1.00 74.51 C ATOM 1011 OG1 THR A 62 -4.962 14.180 -1.937 1.00 32.41 O ATOM 1012 CG2 THR A 62 -6.638 13.208 -3.335 1.00 32.33 C ATOM 0 H THR A 62 -5.102 12.000 -0.959 1.00 35.43 H new ATOM 0 HA THR A 62 -4.902 11.369 -3.781 1.00 62.33 H new ATOM 0 HB THR A 62 -4.622 13.827 -3.914 1.00 74.51 H new ATOM 0 HG1 THR A 62 -5.395 15.045 -2.093 1.00 32.41 H new ATOM 0 HG21 THR A 62 -7.086 14.198 -3.422 1.00 32.33 H new ATOM 0 HG22 THR A 62 -6.801 12.653 -4.259 1.00 32.33 H new ATOM 0 HG23 THR A 62 -7.099 12.673 -2.505 1.00 32.33 H new ATOM 1020 N SER A 63 -2.452 11.623 -4.254 1.00 31.42 N ATOM 1021 CA SER A 63 -1.034 11.676 -4.611 1.00 34.24 C ATOM 1022 C SER A 63 -0.438 13.088 -4.484 1.00 34.42 C ATOM 1023 O SER A 63 0.779 13.253 -4.485 1.00 24.03 O ATOM 1024 CB SER A 63 -0.883 11.113 -6.037 1.00 11.44 C ATOM 1025 OG SER A 63 -1.865 11.634 -6.920 1.00 13.23 O ATOM 0 H SER A 63 -3.033 11.268 -5.013 1.00 31.42 H new ATOM 0 HA SER A 63 -0.465 11.069 -3.907 1.00 34.24 H new ATOM 0 HB2 SER A 63 0.110 11.351 -6.418 1.00 11.44 H new ATOM 0 HB3 SER A 63 -0.961 10.026 -6.008 1.00 11.44 H new ATOM 0 HG SER A 63 -1.735 11.255 -7.814 1.00 13.23 H new ATOM 1031 N LYS A 64 -1.285 14.116 -4.376 1.00 14.12 N ATOM 1032 CA LYS A 64 -0.884 15.474 -4.089 1.00 12.05 C ATOM 1033 C LYS A 64 -0.116 15.511 -2.781 1.00 63.20 C ATOM 1034 O LYS A 64 0.895 16.210 -2.715 1.00 52.05 O ATOM 1035 CB LYS A 64 -2.134 16.362 -4.052 1.00 32.32 C ATOM 1036 CG LYS A 64 -1.847 17.773 -3.511 1.00 14.52 C ATOM 1037 CD LYS A 64 -2.264 17.988 -2.054 1.00 62.34 C ATOM 1038 CE LYS A 64 -3.779 17.902 -1.880 1.00 33.12 C ATOM 1039 NZ LYS A 64 -4.171 18.110 -0.478 1.00 44.41 N ATOM 0 H LYS A 64 -2.293 14.011 -4.491 1.00 14.12 H new ATOM 0 HA LYS A 64 -0.221 15.854 -4.866 1.00 12.05 H new ATOM 0 HB2 LYS A 64 -2.548 16.441 -5.057 1.00 32.32 H new ATOM 0 HB3 LYS A 64 -2.893 15.887 -3.431 1.00 32.32 H new ATOM 0 HG2 LYS A 64 -0.780 17.975 -3.604 1.00 14.52 H new ATOM 0 HG3 LYS A 64 -2.365 18.501 -4.136 1.00 14.52 H new ATOM 0 HD2 LYS A 64 -1.783 17.240 -1.424 1.00 62.34 H new ATOM 0 HD3 LYS A 64 -1.914 18.963 -1.716 1.00 62.34 H new ATOM 0 HE2 LYS A 64 -4.262 18.650 -2.509 1.00 33.12 H new ATOM 0 HE3 LYS A 64 -4.131 16.927 -2.217 1.00 33.12 H new ATOM 0 HZ1 LYS A 64 -4.914 17.430 -0.221 1.00 44.41 H new ATOM 0 HZ2 LYS A 64 -3.345 17.970 0.138 1.00 44.41 H new ATOM 0 HZ3 LYS A 64 -4.531 19.078 -0.358 1.00 44.41 H new ATOM 1053 N GLU A 65 -0.594 14.821 -1.744 1.00 15.55 N ATOM 1054 CA GLU A 65 0.073 14.893 -0.456 1.00 22.12 C ATOM 1055 C GLU A 65 1.486 14.298 -0.603 1.00 65.43 C ATOM 1056 O GLU A 65 1.673 13.371 -1.400 1.00 61.12 O ATOM 1057 CB GLU A 65 -0.731 14.131 0.620 1.00 64.14 C ATOM 1058 CG GLU A 65 -1.250 15.050 1.730 1.00 12.31 C ATOM 1059 CD GLU A 65 -2.475 15.873 1.329 1.00 11.23 C ATOM 1060 OE1 GLU A 65 -3.578 15.329 1.145 1.00 41.45 O ATOM 1061 OE2 GLU A 65 -2.388 17.125 1.334 1.00 1.22 O ATOM 0 H GLU A 65 -1.419 14.222 -1.773 1.00 15.55 H new ATOM 0 HA GLU A 65 0.143 15.933 -0.136 1.00 22.12 H new ATOM 0 HB2 GLU A 65 -1.574 13.626 0.148 1.00 64.14 H new ATOM 0 HB3 GLU A 65 -0.101 13.358 1.059 1.00 64.14 H new ATOM 0 HG2 GLU A 65 -1.500 14.445 2.602 1.00 12.31 H new ATOM 0 HG3 GLU A 65 -0.451 15.728 2.030 1.00 12.31 H new ATOM 1068 N PRO A 66 2.491 14.784 0.146 1.00 64.43 N ATOM 1069 CA PRO A 66 3.826 14.208 0.099 1.00 75.55 C ATOM 1070 C PRO A 66 3.793 12.805 0.700 1.00 0.22 C ATOM 1071 O PRO A 66 3.067 12.528 1.663 1.00 32.10 O ATOM 1072 CB PRO A 66 4.734 15.145 0.896 1.00 3.23 C ATOM 1073 CG PRO A 66 3.803 16.005 1.746 1.00 51.24 C ATOM 1074 CD PRO A 66 2.395 15.804 1.177 1.00 24.22 C ATOM 0 HA PRO A 66 4.198 14.111 -0.921 1.00 75.55 H new ATOM 0 HB2 PRO A 66 5.425 14.580 1.522 1.00 3.23 H new ATOM 0 HB3 PRO A 66 5.338 15.763 0.231 1.00 3.23 H new ATOM 0 HG2 PRO A 66 3.846 15.706 2.793 1.00 51.24 H new ATOM 0 HG3 PRO A 66 4.094 17.054 1.702 1.00 51.24 H new ATOM 0 HD2 PRO A 66 1.703 15.495 1.961 1.00 24.22 H new ATOM 0 HD3 PRO A 66 2.011 16.736 0.762 1.00 24.22 H new ATOM 1082 N VAL A 67 4.645 11.945 0.148 1.00 13.51 N ATOM 1083 CA VAL A 67 4.827 10.556 0.541 1.00 40.33 C ATOM 1084 C VAL A 67 5.088 10.499 2.052 1.00 33.32 C ATOM 1085 O VAL A 67 4.506 9.674 2.762 1.00 64.42 O ATOM 1086 CB VAL A 67 5.980 9.950 -0.296 1.00 55.44 C ATOM 1087 CG1 VAL A 67 6.075 8.433 -0.143 1.00 30.54 C ATOM 1088 CG2 VAL A 67 5.835 10.209 -1.804 1.00 44.40 C ATOM 0 H VAL A 67 5.256 12.214 -0.623 1.00 13.51 H new ATOM 0 HA VAL A 67 3.935 9.962 0.344 1.00 40.33 H new ATOM 0 HB VAL A 67 6.869 10.446 0.094 1.00 55.44 H new ATOM 0 HG11 VAL A 67 6.899 8.057 -0.750 1.00 30.54 H new ATOM 0 HG12 VAL A 67 6.251 8.183 0.903 1.00 30.54 H new ATOM 0 HG13 VAL A 67 5.143 7.975 -0.473 1.00 30.54 H new ATOM 0 HG21 VAL A 67 6.675 9.758 -2.333 1.00 44.40 H new ATOM 0 HG22 VAL A 67 4.904 9.769 -2.161 1.00 44.40 H new ATOM 0 HG23 VAL A 67 5.824 11.283 -1.989 1.00 44.40 H new ATOM 1098 N ALA A 68 5.908 11.428 2.558 1.00 12.54 N ATOM 1099 CA ALA A 68 6.202 11.564 3.974 1.00 2.51 C ATOM 1100 C ALA A 68 4.939 11.714 4.832 1.00 61.54 C ATOM 1101 O ALA A 68 4.840 11.052 5.866 1.00 43.24 O ATOM 1102 CB ALA A 68 7.137 12.755 4.194 1.00 15.31 C ATOM 0 H ALA A 68 6.390 12.114 1.978 1.00 12.54 H new ATOM 0 HA ALA A 68 6.690 10.643 4.294 1.00 2.51 H new ATOM 0 HB1 ALA A 68 7.356 12.854 5.257 1.00 15.31 H new ATOM 0 HB2 ALA A 68 8.066 12.595 3.646 1.00 15.31 H new ATOM 0 HB3 ALA A 68 6.657 13.666 3.836 1.00 15.31 H new ATOM 1108 N SER A 69 3.985 12.563 4.437 1.00 13.21 N ATOM 1109 CA SER A 69 2.778 12.778 5.231 1.00 21.32 C ATOM 1110 C SER A 69 1.924 11.520 5.304 1.00 22.51 C ATOM 1111 O SER A 69 1.406 11.205 6.375 1.00 25.34 O ATOM 1112 CB SER A 69 1.954 13.932 4.669 1.00 15.00 C ATOM 1113 OG SER A 69 2.684 15.119 4.846 1.00 10.01 O ATOM 0 H SER A 69 4.027 13.109 3.576 1.00 13.21 H new ATOM 0 HA SER A 69 3.099 13.032 6.241 1.00 21.32 H new ATOM 0 HB2 SER A 69 1.743 13.769 3.612 1.00 15.00 H new ATOM 0 HB3 SER A 69 0.993 13.997 5.179 1.00 15.00 H new ATOM 0 HG SER A 69 2.172 15.874 4.489 1.00 10.01 H new ATOM 1119 N ILE A 70 1.781 10.788 4.198 1.00 44.22 N ATOM 1120 CA ILE A 70 1.015 9.547 4.178 1.00 54.45 C ATOM 1121 C ILE A 70 1.658 8.559 5.154 1.00 13.31 C ATOM 1122 O ILE A 70 0.966 7.965 5.982 1.00 54.31 O ATOM 1123 CB ILE A 70 0.974 8.986 2.739 1.00 51.21 C ATOM 1124 CG1 ILE A 70 0.093 9.891 1.850 1.00 74.42 C ATOM 1125 CG2 ILE A 70 0.490 7.520 2.688 1.00 40.41 C ATOM 1126 CD1 ILE A 70 0.596 9.928 0.407 1.00 51.45 C ATOM 0 H ILE A 70 2.191 11.039 3.298 1.00 44.22 H new ATOM 0 HA ILE A 70 -0.014 9.724 4.491 1.00 54.45 H new ATOM 0 HB ILE A 70 1.994 8.986 2.355 1.00 51.21 H new ATOM 0 HG12 ILE A 70 -0.935 9.529 1.868 1.00 74.42 H new ATOM 0 HG13 ILE A 70 0.082 10.902 2.258 1.00 74.42 H new ATOM 0 HG21 ILE A 70 0.480 7.176 1.654 1.00 40.41 H new ATOM 0 HG22 ILE A 70 1.164 6.894 3.272 1.00 40.41 H new ATOM 0 HG23 ILE A 70 -0.516 7.454 3.102 1.00 40.41 H new ATOM 0 HD11 ILE A 70 -0.050 10.575 -0.187 1.00 51.45 H new ATOM 0 HD12 ILE A 70 1.615 10.315 0.387 1.00 51.45 H new ATOM 0 HD13 ILE A 70 0.582 8.921 -0.009 1.00 51.45 H new ATOM 1138 N ILE A 71 2.983 8.406 5.082 1.00 4.22 N ATOM 1139 CA ILE A 71 3.753 7.538 5.965 1.00 51.23 C ATOM 1140 C ILE A 71 3.450 7.933 7.420 1.00 55.35 C ATOM 1141 O ILE A 71 3.126 7.078 8.242 1.00 54.10 O ATOM 1142 CB ILE A 71 5.253 7.618 5.578 1.00 54.13 C ATOM 1143 CG1 ILE A 71 5.481 6.894 4.229 1.00 42.11 C ATOM 1144 CG2 ILE A 71 6.159 7.006 6.658 1.00 55.35 C ATOM 1145 CD1 ILE A 71 6.873 7.126 3.627 1.00 11.05 C ATOM 0 H ILE A 71 3.558 8.893 4.394 1.00 4.22 H new ATOM 0 HA ILE A 71 3.473 6.490 5.859 1.00 51.23 H new ATOM 0 HB ILE A 71 5.517 8.671 5.485 1.00 54.13 H new ATOM 0 HG12 ILE A 71 5.332 5.824 4.372 1.00 42.11 H new ATOM 0 HG13 ILE A 71 4.727 7.229 3.516 1.00 42.11 H new ATOM 0 HG21 ILE A 71 7.200 7.083 6.346 1.00 55.35 H new ATOM 0 HG22 ILE A 71 6.021 7.543 7.596 1.00 55.35 H new ATOM 0 HG23 ILE A 71 5.899 5.957 6.799 1.00 55.35 H new ATOM 0 HD11 ILE A 71 6.956 6.587 2.683 1.00 11.05 H new ATOM 0 HD12 ILE A 71 7.020 8.191 3.450 1.00 11.05 H new ATOM 0 HD13 ILE A 71 7.634 6.765 4.319 1.00 11.05 H new ATOM 1157 N THR A 72 3.508 9.224 7.746 1.00 3.34 N ATOM 1158 CA THR A 72 3.199 9.726 9.076 1.00 14.13 C ATOM 1159 C THR A 72 1.759 9.415 9.505 1.00 23.31 C ATOM 1160 O THR A 72 1.548 9.069 10.668 1.00 72.11 O ATOM 1161 CB THR A 72 3.557 11.219 9.121 1.00 23.44 C ATOM 1162 OG1 THR A 72 4.966 11.323 9.052 1.00 33.10 O ATOM 1163 CG2 THR A 72 3.089 11.969 10.369 1.00 72.01 C ATOM 0 H THR A 72 3.774 9.954 7.085 1.00 3.34 H new ATOM 0 HA THR A 72 3.804 9.206 9.819 1.00 14.13 H new ATOM 0 HB THR A 72 3.038 11.683 8.282 1.00 23.44 H new ATOM 0 HG1 THR A 72 5.250 11.299 8.114 1.00 33.10 H new ATOM 0 HG21 THR A 72 3.392 13.014 10.301 1.00 72.01 H new ATOM 0 HG22 THR A 72 2.003 11.910 10.443 1.00 72.01 H new ATOM 0 HG23 THR A 72 3.538 11.518 11.254 1.00 72.01 H new ATOM 1171 N LYS A 73 0.753 9.485 8.630 1.00 34.51 N ATOM 1172 CA LYS A 73 -0.610 9.116 8.991 1.00 33.41 C ATOM 1173 C LYS A 73 -0.653 7.641 9.379 1.00 35.33 C ATOM 1174 O LYS A 73 -1.179 7.297 10.439 1.00 33.20 O ATOM 1175 CB LYS A 73 -1.550 9.422 7.821 1.00 23.15 C ATOM 1176 CG LYS A 73 -1.722 10.934 7.628 1.00 73.40 C ATOM 1177 CD LYS A 73 -2.481 11.264 6.337 1.00 42.23 C ATOM 1178 CE LYS A 73 -2.159 12.679 5.863 1.00 73.42 C ATOM 1179 NZ LYS A 73 -2.568 13.700 6.854 1.00 70.20 N ATOM 0 H LYS A 73 0.862 9.795 7.664 1.00 34.51 H new ATOM 0 HA LYS A 73 -0.943 9.699 9.850 1.00 33.41 H new ATOM 0 HB2 LYS A 73 -1.154 8.979 6.907 1.00 23.15 H new ATOM 0 HB3 LYS A 73 -2.522 8.963 8.002 1.00 23.15 H new ATOM 0 HG2 LYS A 73 -2.259 11.350 8.481 1.00 73.40 H new ATOM 0 HG3 LYS A 73 -0.742 11.411 7.605 1.00 73.40 H new ATOM 0 HD2 LYS A 73 -2.215 10.547 5.561 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -3.554 11.168 6.506 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -1.089 12.764 5.675 1.00 73.42 H new ATOM 0 HE3 LYS A 73 -2.665 12.869 4.916 1.00 73.42 H new ATOM 0 HZ1 LYS A 73 -2.410 14.649 6.460 1.00 70.20 H new ATOM 0 HZ2 LYS A 73 -3.577 13.581 7.079 1.00 70.20 H new ATOM 0 HZ3 LYS A 73 -2.005 13.587 7.721 1.00 70.20 H new ATOM 1193 N LEU A 74 -0.067 6.777 8.551 1.00 41.43 N ATOM 1194 CA LEU A 74 -0.043 5.334 8.766 1.00 51.02 C ATOM 1195 C LEU A 74 0.726 4.971 10.038 1.00 60.14 C ATOM 1196 O LEU A 74 0.373 3.993 10.693 1.00 64.54 O ATOM 1197 CB LEU A 74 0.576 4.640 7.542 1.00 30.41 C ATOM 1198 CG LEU A 74 -0.269 4.801 6.261 1.00 25.11 C ATOM 1199 CD1 LEU A 74 0.581 4.497 5.027 1.00 34.44 C ATOM 1200 CD2 LEU A 74 -1.504 3.891 6.294 1.00 3.10 C ATOM 0 H LEU A 74 0.412 7.067 7.698 1.00 41.43 H new ATOM 0 HA LEU A 74 -1.068 4.988 8.896 1.00 51.02 H new ATOM 0 HB2 LEU A 74 1.572 5.047 7.366 1.00 30.41 H new ATOM 0 HB3 LEU A 74 0.699 3.579 7.758 1.00 30.41 H new ATOM 0 HG LEU A 74 -0.613 5.834 6.210 1.00 25.11 H new ATOM 0 HD11 LEU A 74 -0.026 4.614 4.129 1.00 34.44 H new ATOM 0 HD12 LEU A 74 1.424 5.187 4.987 1.00 34.44 H new ATOM 0 HD13 LEU A 74 0.952 3.474 5.084 1.00 34.44 H new ATOM 0 HD21 LEU A 74 -2.080 4.026 5.379 1.00 3.10 H new ATOM 0 HD22 LEU A 74 -1.188 2.851 6.373 1.00 3.10 H new ATOM 0 HD23 LEU A 74 -2.123 4.149 7.153 1.00 3.10 H new ATOM 1212 N ASN A 75 1.722 5.768 10.437 1.00 15.33 N ATOM 1213 CA ASN A 75 2.501 5.547 11.658 1.00 15.21 C ATOM 1214 C ASN A 75 1.670 5.634 12.950 1.00 35.34 C ATOM 1215 O ASN A 75 2.163 5.203 13.991 1.00 75.31 O ATOM 1216 CB ASN A 75 3.670 6.546 11.749 1.00 71.24 C ATOM 1217 CG ASN A 75 4.873 6.202 10.877 1.00 21.23 C ATOM 1218 OD1 ASN A 75 5.056 5.074 10.440 1.00 53.31 O ATOM 1219 ND2 ASN A 75 5.776 7.142 10.636 1.00 10.12 N ATOM 0 H ASN A 75 2.013 6.594 9.915 1.00 15.33 H new ATOM 0 HA ASN A 75 2.874 4.526 11.580 1.00 15.21 H new ATOM 0 HB2 ASN A 75 3.307 7.535 11.470 1.00 71.24 H new ATOM 0 HB3 ASN A 75 3.997 6.608 12.787 1.00 71.24 H new ATOM 0 HD21 ASN A 75 6.610 6.920 10.092 1.00 10.12 H new ATOM 0 HD22 ASN A 75 5.637 8.087 10.994 1.00 10.12 H new ATOM 1226 N SER A 76 0.452 6.184 12.913 1.00 23.15 N ATOM 1227 CA SER A 76 -0.500 6.168 14.021 1.00 54.44 C ATOM 1228 C SER A 76 -1.335 4.882 14.051 1.00 50.41 C ATOM 1229 O SER A 76 -1.909 4.552 15.088 1.00 43.52 O ATOM 1230 CB SER A 76 -1.458 7.344 13.828 1.00 22.22 C ATOM 1231 OG SER A 76 -1.190 8.417 14.707 1.00 52.31 O ATOM 0 H SER A 76 0.094 6.665 12.088 1.00 23.15 H new ATOM 0 HA SER A 76 0.060 6.231 14.954 1.00 54.44 H new ATOM 0 HB2 SER A 76 -1.390 7.697 12.799 1.00 22.22 H new ATOM 0 HB3 SER A 76 -2.482 7.002 13.981 1.00 22.22 H new ATOM 0 HG SER A 76 -1.828 9.142 14.542 1.00 52.31 H new ATOM 1237 N LEU A 77 -1.477 4.180 12.921 1.00 43.43 N ATOM 1238 CA LEU A 77 -2.326 2.992 12.861 1.00 72.02 C ATOM 1239 C LEU A 77 -1.704 1.860 13.656 1.00 25.42 C ATOM 1240 O LEU A 77 -2.424 1.167 14.372 1.00 14.31 O ATOM 1241 CB LEU A 77 -2.583 2.521 11.423 1.00 0.54 C ATOM 1242 CG LEU A 77 -3.435 3.484 10.581 1.00 70.15 C ATOM 1243 CD1 LEU A 77 -3.587 2.889 9.182 1.00 62.45 C ATOM 1244 CD2 LEU A 77 -4.830 3.699 11.175 1.00 41.04 C ATOM 0 H LEU A 77 -1.016 4.415 12.042 1.00 43.43 H new ATOM 0 HA LEU A 77 -3.286 3.272 13.294 1.00 72.02 H new ATOM 0 HB2 LEU A 77 -1.624 2.374 10.925 1.00 0.54 H new ATOM 0 HB3 LEU A 77 -3.078 1.550 11.455 1.00 0.54 H new ATOM 0 HG LEU A 77 -2.932 4.451 10.559 1.00 70.15 H new ATOM 0 HD11 LEU A 77 -4.189 3.557 8.566 1.00 62.45 H new ATOM 0 HD12 LEU A 77 -2.603 2.767 8.730 1.00 62.45 H new ATOM 0 HD13 LEU A 77 -4.078 1.918 9.251 1.00 62.45 H new ATOM 0 HD21 LEU A 77 -5.392 4.387 10.544 1.00 41.04 H new ATOM 0 HD22 LEU A 77 -5.354 2.745 11.228 1.00 41.04 H new ATOM 0 HD23 LEU A 77 -4.738 4.119 12.177 1.00 41.04 H new ATOM 1256 N ASN A 78 -0.379 1.710 13.569 1.00 13.12 N ATOM 1257 CA ASN A 78 0.387 0.684 14.279 1.00 72.13 C ATOM 1258 C ASN A 78 -0.238 -0.712 14.102 1.00 61.12 C ATOM 1259 O ASN A 78 -0.214 -1.555 14.998 1.00 33.05 O ATOM 1260 CB ASN A 78 0.654 1.129 15.733 1.00 55.10 C ATOM 1261 CG ASN A 78 1.701 2.239 15.790 1.00 34.24 C ATOM 1262 OD1 ASN A 78 2.749 2.146 15.155 1.00 32.44 O ATOM 1263 ND2 ASN A 78 1.457 3.325 16.502 1.00 10.31 N ATOM 0 H ASN A 78 0.204 2.314 12.989 1.00 13.12 H new ATOM 0 HA ASN A 78 1.375 0.576 13.832 1.00 72.13 H new ATOM 0 HB2 ASN A 78 -0.274 1.478 16.185 1.00 55.10 H new ATOM 0 HB3 ASN A 78 0.993 0.276 16.320 1.00 55.10 H new ATOM 0 HD21 ASN A 78 2.138 4.084 16.524 1.00 10.31 H new ATOM 0 HD22 ASN A 78 0.588 3.404 17.030 1.00 10.31 H new ATOM 1270 N GLU A 79 -0.771 -0.959 12.903 1.00 61.21 N ATOM 1271 CA GLU A 79 -1.190 -2.239 12.342 1.00 33.33 C ATOM 1272 C GLU A 79 -0.211 -2.614 11.223 1.00 73.11 C ATOM 1273 O GLU A 79 0.536 -1.740 10.786 1.00 63.11 O ATOM 1274 CB GLU A 79 -2.599 -2.067 11.756 1.00 12.05 C ATOM 1275 CG GLU A 79 -3.692 -2.218 12.814 1.00 23.32 C ATOM 1276 CD GLU A 79 -3.832 -3.678 13.255 1.00 32.44 C ATOM 1277 OE1 GLU A 79 -3.110 -4.090 14.196 1.00 54.22 O ATOM 1278 OE2 GLU A 79 -4.636 -4.435 12.668 1.00 24.41 O ATOM 0 H GLU A 79 -0.933 -0.198 12.244 1.00 61.21 H new ATOM 0 HA GLU A 79 -1.199 -3.019 13.103 1.00 33.33 H new ATOM 0 HB2 GLU A 79 -2.679 -1.084 11.292 1.00 12.05 H new ATOM 0 HB3 GLU A 79 -2.755 -2.805 10.969 1.00 12.05 H new ATOM 0 HG2 GLU A 79 -3.456 -1.595 13.677 1.00 23.32 H new ATOM 0 HG3 GLU A 79 -4.642 -1.863 12.414 1.00 23.32 H new ATOM 1285 N PRO A 80 -0.171 -3.863 10.734 1.00 72.05 N ATOM 1286 CA PRO A 80 0.569 -4.199 9.524 1.00 32.53 C ATOM 1287 C PRO A 80 -0.216 -3.746 8.286 1.00 44.31 C ATOM 1288 O PRO A 80 -1.446 -3.875 8.250 1.00 21.02 O ATOM 1289 CB PRO A 80 0.729 -5.720 9.576 1.00 20.24 C ATOM 1290 CG PRO A 80 -0.527 -6.184 10.311 1.00 42.20 C ATOM 1291 CD PRO A 80 -0.815 -5.043 11.287 1.00 31.53 C ATOM 0 HA PRO A 80 1.538 -3.703 9.463 1.00 32.53 H new ATOM 0 HB2 PRO A 80 0.792 -6.152 8.577 1.00 20.24 H new ATOM 0 HB3 PRO A 80 1.636 -6.011 10.107 1.00 20.24 H new ATOM 0 HG2 PRO A 80 -1.358 -6.343 9.624 1.00 42.20 H new ATOM 0 HG3 PRO A 80 -0.361 -7.126 10.833 1.00 42.20 H new ATOM 0 HD2 PRO A 80 -1.888 -4.886 11.396 1.00 31.53 H new ATOM 0 HD3 PRO A 80 -0.424 -5.271 12.279 1.00 31.53 H new ATOM 1299 N LEU A 81 0.476 -3.224 7.267 1.00 33.14 N ATOM 1300 CA LEU A 81 -0.114 -2.781 6.017 1.00 11.44 C ATOM 1301 C LEU A 81 0.380 -3.615 4.833 1.00 50.14 C ATOM 1302 O LEU A 81 1.307 -4.419 4.952 1.00 10.40 O ATOM 1303 CB LEU A 81 0.197 -1.303 5.725 1.00 23.44 C ATOM 1304 CG LEU A 81 0.283 -0.284 6.873 1.00 10.33 C ATOM 1305 CD1 LEU A 81 -0.885 -0.238 7.871 1.00 24.35 C ATOM 1306 CD2 LEU A 81 1.622 -0.341 7.593 1.00 71.14 C ATOM 0 H LEU A 81 1.488 -3.098 7.298 1.00 33.14 H new ATOM 0 HA LEU A 81 -1.190 -2.909 6.135 1.00 11.44 H new ATOM 0 HB2 LEU A 81 1.149 -1.273 5.195 1.00 23.44 H new ATOM 0 HB3 LEU A 81 -0.564 -0.944 5.032 1.00 23.44 H new ATOM 0 HG LEU A 81 0.192 0.663 6.342 1.00 10.33 H new ATOM 0 HD11 LEU A 81 -0.690 0.525 8.625 1.00 24.35 H new ATOM 0 HD12 LEU A 81 -1.807 0.003 7.341 1.00 24.35 H new ATOM 0 HD13 LEU A 81 -0.988 -1.209 8.356 1.00 24.35 H new ATOM 0 HD21 LEU A 81 1.635 0.397 8.395 1.00 71.14 H new ATOM 0 HD22 LEU A 81 1.767 -1.336 8.013 1.00 71.14 H new ATOM 0 HD23 LEU A 81 2.424 -0.124 6.887 1.00 71.14 H new ATOM 1318 N VAL A 82 -0.192 -3.359 3.658 1.00 53.14 N ATOM 1319 CA VAL A 82 0.146 -4.004 2.401 1.00 24.21 C ATOM 1320 C VAL A 82 -0.146 -3.012 1.257 1.00 55.25 C ATOM 1321 O VAL A 82 -1.308 -2.739 0.968 1.00 74.00 O ATOM 1322 CB VAL A 82 -0.578 -5.382 2.354 1.00 71.24 C ATOM 1323 CG1 VAL A 82 -2.087 -5.358 2.644 1.00 30.23 C ATOM 1324 CG2 VAL A 82 -0.372 -6.114 1.028 1.00 31.40 C ATOM 0 H VAL A 82 -0.934 -2.667 3.557 1.00 53.14 H new ATOM 0 HA VAL A 82 1.203 -4.245 2.290 1.00 24.21 H new ATOM 0 HB VAL A 82 -0.095 -5.915 3.173 1.00 71.24 H new ATOM 0 HG11 VAL A 82 -2.485 -6.371 2.584 1.00 30.23 H new ATOM 0 HG12 VAL A 82 -2.259 -4.959 3.644 1.00 30.23 H new ATOM 0 HG13 VAL A 82 -2.589 -4.727 1.910 1.00 30.23 H new ATOM 0 HG21 VAL A 82 -0.899 -7.068 1.053 1.00 31.40 H new ATOM 0 HG22 VAL A 82 -0.762 -5.505 0.212 1.00 31.40 H new ATOM 0 HG23 VAL A 82 0.692 -6.292 0.872 1.00 31.40 H new ATOM 1334 N THR A 83 0.875 -2.416 0.622 1.00 72.11 N ATOM 1335 CA THR A 83 0.682 -1.573 -0.565 1.00 1.43 C ATOM 1336 C THR A 83 1.932 -1.536 -1.441 1.00 42.13 C ATOM 1337 O THR A 83 3.029 -1.839 -0.978 1.00 23.33 O ATOM 1338 CB THR A 83 0.244 -0.149 -0.176 1.00 44.04 C ATOM 1339 OG1 THR A 83 -0.365 0.451 -1.299 1.00 1.34 O ATOM 1340 CG2 THR A 83 1.324 0.777 0.386 1.00 4.31 C ATOM 0 H THR A 83 1.848 -2.504 0.914 1.00 72.11 H new ATOM 0 HA THR A 83 -0.119 -2.024 -1.151 1.00 1.43 H new ATOM 0 HB THR A 83 -0.443 -0.279 0.660 1.00 44.04 H new ATOM 0 HG1 THR A 83 -0.916 1.207 -1.007 1.00 1.34 H new ATOM 0 HG21 THR A 83 0.886 1.747 0.619 1.00 4.31 H new ATOM 0 HG22 THR A 83 1.742 0.340 1.293 1.00 4.31 H new ATOM 0 HG23 THR A 83 2.115 0.904 -0.353 1.00 4.31 H new ATOM 1348 N MET A 84 1.777 -1.150 -2.702 1.00 13.23 N ATOM 1349 CA MET A 84 2.837 -0.990 -3.697 1.00 60.53 C ATOM 1350 C MET A 84 3.647 0.287 -3.423 1.00 54.43 C ATOM 1351 O MET A 84 3.221 1.107 -2.606 1.00 74.33 O ATOM 1352 CB MET A 84 2.254 -0.973 -5.119 1.00 23.21 C ATOM 1353 CG MET A 84 1.042 -1.875 -5.312 1.00 30.31 C ATOM 1354 SD MET A 84 -0.514 -0.997 -4.971 1.00 12.25 S ATOM 1355 CE MET A 84 -1.494 -2.263 -4.132 1.00 11.34 C ATOM 0 H MET A 84 0.857 -0.927 -3.082 1.00 13.23 H new ATOM 0 HA MET A 84 3.510 -1.844 -3.619 1.00 60.53 H new ATOM 0 HB2 MET A 84 1.975 0.050 -5.372 1.00 23.21 H new ATOM 0 HB3 MET A 84 3.031 -1.274 -5.821 1.00 23.21 H new ATOM 0 HG2 MET A 84 1.029 -2.253 -6.334 1.00 30.31 H new ATOM 0 HG3 MET A 84 1.124 -2.739 -4.653 1.00 30.31 H new ATOM 0 HE1 MET A 84 -2.449 -1.838 -3.823 1.00 11.34 H new ATOM 0 HE2 MET A 84 -1.671 -3.096 -4.812 1.00 11.34 H new ATOM 0 HE3 MET A 84 -0.954 -2.619 -3.255 1.00 11.34 H new ATOM 1365 N PRO A 85 4.829 0.482 -4.036 1.00 61.32 N ATOM 1366 CA PRO A 85 5.683 1.611 -3.683 1.00 51.13 C ATOM 1367 C PRO A 85 5.065 2.932 -4.179 1.00 64.54 C ATOM 1368 O PRO A 85 5.073 3.204 -5.380 1.00 15.14 O ATOM 1369 CB PRO A 85 7.050 1.304 -4.293 1.00 52.11 C ATOM 1370 CG PRO A 85 6.714 0.441 -5.503 1.00 43.51 C ATOM 1371 CD PRO A 85 5.477 -0.350 -5.052 1.00 51.22 C ATOM 0 HA PRO A 85 5.786 1.742 -2.606 1.00 51.13 H new ATOM 0 HB2 PRO A 85 7.574 2.215 -4.583 1.00 52.11 H new ATOM 0 HB3 PRO A 85 7.694 0.776 -3.590 1.00 52.11 H new ATOM 0 HG2 PRO A 85 6.502 1.049 -6.382 1.00 43.51 H new ATOM 0 HG3 PRO A 85 7.539 -0.221 -5.765 1.00 43.51 H new ATOM 0 HD2 PRO A 85 4.806 -0.540 -5.890 1.00 51.22 H new ATOM 0 HD3 PRO A 85 5.759 -1.320 -4.643 1.00 51.22 H new ATOM 1379 N ILE A 86 4.503 3.734 -3.271 1.00 64.35 N ATOM 1380 CA ILE A 86 3.807 4.991 -3.543 1.00 63.23 C ATOM 1381 C ILE A 86 4.742 5.930 -4.311 1.00 60.34 C ATOM 1382 O ILE A 86 4.489 6.296 -5.460 1.00 53.50 O ATOM 1383 CB ILE A 86 3.299 5.627 -2.216 1.00 54.33 C ATOM 1384 CG1 ILE A 86 2.459 4.639 -1.368 1.00 22.14 C ATOM 1385 CG2 ILE A 86 2.532 6.930 -2.514 1.00 62.53 C ATOM 1386 CD1 ILE A 86 1.960 5.225 -0.038 1.00 52.03 C ATOM 0 H ILE A 86 4.523 3.511 -2.276 1.00 64.35 H new ATOM 0 HA ILE A 86 2.930 4.804 -4.163 1.00 63.23 H new ATOM 0 HB ILE A 86 4.170 5.872 -1.608 1.00 54.33 H new ATOM 0 HG12 ILE A 86 1.600 4.312 -1.954 1.00 22.14 H new ATOM 0 HG13 ILE A 86 3.059 3.753 -1.161 1.00 22.14 H new ATOM 0 HG21 ILE A 86 2.181 7.367 -1.579 1.00 62.53 H new ATOM 0 HG22 ILE A 86 3.194 7.634 -3.018 1.00 62.53 H new ATOM 0 HG23 ILE A 86 1.678 6.711 -3.156 1.00 62.53 H new ATOM 0 HD11 ILE A 86 1.381 4.472 0.497 1.00 52.03 H new ATOM 0 HD12 ILE A 86 2.813 5.526 0.570 1.00 52.03 H new ATOM 0 HD13 ILE A 86 1.332 6.093 -0.236 1.00 52.03 H new ATOM 1398 N GLY A 87 5.841 6.332 -3.672 1.00 13.32 N ATOM 1399 CA GLY A 87 6.671 7.422 -4.160 1.00 31.20 C ATOM 1400 C GLY A 87 7.375 7.102 -5.479 1.00 65.32 C ATOM 1401 O GLY A 87 7.801 8.023 -6.170 1.00 73.41 O ATOM 0 H GLY A 87 6.176 5.910 -2.806 1.00 13.32 H new ATOM 0 HA2 GLY A 87 6.052 8.310 -4.292 1.00 31.20 H new ATOM 0 HA3 GLY A 87 7.420 7.665 -3.406 1.00 31.20 H new ATOM 1405 N TYR A 88 7.450 5.831 -5.881 1.00 30.43 N ATOM 1406 CA TYR A 88 8.074 5.382 -7.128 1.00 22.21 C ATOM 1407 C TYR A 88 7.409 5.991 -8.379 1.00 70.11 C ATOM 1408 O TYR A 88 7.988 5.991 -9.464 1.00 42.31 O ATOM 1409 CB TYR A 88 8.040 3.846 -7.141 1.00 32.33 C ATOM 1410 CG TYR A 88 8.807 3.189 -8.269 1.00 73.43 C ATOM 1411 CD1 TYR A 88 10.178 2.900 -8.131 1.00 22.21 C ATOM 1412 CD2 TYR A 88 8.140 2.871 -9.465 1.00 53.32 C ATOM 1413 CE1 TYR A 88 10.877 2.306 -9.198 1.00 53.01 C ATOM 1414 CE2 TYR A 88 8.840 2.333 -10.553 1.00 51.03 C ATOM 1415 CZ TYR A 88 10.218 2.050 -10.423 1.00 51.24 C ATOM 1416 OH TYR A 88 10.914 1.543 -11.474 1.00 55.32 O ATOM 0 H TYR A 88 7.066 5.062 -5.331 1.00 30.43 H new ATOM 0 HA TYR A 88 9.106 5.732 -7.165 1.00 22.21 H new ATOM 0 HB2 TYR A 88 8.438 3.483 -6.194 1.00 32.33 H new ATOM 0 HB3 TYR A 88 7.000 3.523 -7.195 1.00 32.33 H new ATOM 0 HD1 TYR A 88 10.691 3.133 -7.210 1.00 22.21 H new ATOM 0 HD2 TYR A 88 7.077 3.043 -9.546 1.00 53.32 H new ATOM 0 HE1 TYR A 88 11.919 2.045 -9.081 1.00 53.01 H new ATOM 0 HE2 TYR A 88 8.330 2.136 -11.484 1.00 51.03 H new ATOM 0 HH TYR A 88 10.312 1.425 -12.239 1.00 55.32 H new ATOM 1426 N VAL A 89 6.200 6.543 -8.245 1.00 12.42 N ATOM 1427 CA VAL A 89 5.379 7.022 -9.361 1.00 21.21 C ATOM 1428 C VAL A 89 4.903 8.455 -9.137 1.00 64.01 C ATOM 1429 O VAL A 89 5.158 9.309 -9.987 1.00 45.14 O ATOM 1430 CB VAL A 89 4.241 6.051 -9.727 1.00 22.44 C ATOM 1431 CG1 VAL A 89 4.743 4.946 -10.664 1.00 54.22 C ATOM 1432 CG2 VAL A 89 3.618 5.391 -8.500 1.00 71.41 C ATOM 0 H VAL A 89 5.754 6.672 -7.337 1.00 12.42 H new ATOM 0 HA VAL A 89 6.023 7.046 -10.240 1.00 21.21 H new ATOM 0 HB VAL A 89 3.481 6.654 -10.224 1.00 22.44 H new ATOM 0 HG11 VAL A 89 3.920 4.274 -10.907 1.00 54.22 H new ATOM 0 HG12 VAL A 89 5.129 5.393 -11.580 1.00 54.22 H new ATOM 0 HG13 VAL A 89 5.537 4.384 -10.172 1.00 54.22 H new ATOM 0 HG21 VAL A 89 2.821 4.717 -8.815 1.00 71.41 H new ATOM 0 HG22 VAL A 89 4.381 4.826 -7.964 1.00 71.41 H new ATOM 0 HG23 VAL A 89 3.206 6.158 -7.844 1.00 71.41 H new ATOM 1442 N THR A 90 4.268 8.768 -8.004 1.00 0.30 N ATOM 1443 CA THR A 90 3.857 10.147 -7.735 1.00 52.31 C ATOM 1444 C THR A 90 5.103 11.022 -7.547 1.00 1.23 C ATOM 1445 O THR A 90 5.254 12.026 -8.243 1.00 10.33 O ATOM 1446 CB THR A 90 2.791 10.217 -6.619 1.00 33.12 C ATOM 1447 OG1 THR A 90 2.490 11.552 -6.270 1.00 41.11 O ATOM 1448 CG2 THR A 90 3.092 9.417 -5.347 1.00 11.11 C ATOM 0 H THR A 90 4.031 8.099 -7.271 1.00 0.30 H new ATOM 0 HA THR A 90 3.334 10.570 -8.593 1.00 52.31 H new ATOM 0 HB THR A 90 1.927 9.732 -7.074 1.00 33.12 H new ATOM 0 HG1 THR A 90 2.241 11.594 -5.323 1.00 41.11 H new ATOM 0 HG21 THR A 90 2.275 9.542 -4.637 1.00 11.11 H new ATOM 0 HG22 THR A 90 3.197 8.361 -5.597 1.00 11.11 H new ATOM 0 HG23 THR A 90 4.019 9.778 -4.901 1.00 11.11 H new ATOM 1456 N HIS A 91 6.034 10.615 -6.675 1.00 45.34 N ATOM 1457 CA HIS A 91 7.261 11.376 -6.455 1.00 24.41 C ATOM 1458 C HIS A 91 8.267 11.157 -7.592 1.00 22.40 C ATOM 1459 O HIS A 91 9.017 12.076 -7.927 1.00 51.12 O ATOM 1460 CB HIS A 91 7.853 11.041 -5.076 1.00 35.25 C ATOM 1461 CG HIS A 91 8.555 12.208 -4.438 1.00 25.31 C ATOM 1462 ND1 HIS A 91 9.753 12.744 -4.851 1.00 73.41 N ATOM 1463 CD2 HIS A 91 8.137 12.904 -3.335 1.00 33.43 C ATOM 1464 CE1 HIS A 91 10.060 13.749 -4.016 1.00 33.31 C ATOM 1465 NE2 HIS A 91 9.100 13.890 -3.083 1.00 24.43 N ATOM 0 H HIS A 91 5.958 9.766 -6.115 1.00 45.34 H new ATOM 0 HA HIS A 91 7.019 12.439 -6.461 1.00 24.41 H new ATOM 0 HB2 HIS A 91 7.054 10.700 -4.417 1.00 35.25 H new ATOM 0 HB3 HIS A 91 8.555 10.214 -5.180 1.00 35.25 H new ATOM 0 HD2 HIS A 91 7.236 12.726 -2.767 1.00 33.43 H new ATOM 0 HE1 HIS A 91 10.950 14.357 -4.083 1.00 33.31 H new ATOM 0 HE2 HIS A 91 9.078 14.583 -2.335 1.00 24.43 H new ATOM 1473 N GLY A 92 8.256 9.974 -8.212 1.00 21.12 N ATOM 1474 CA GLY A 92 9.201 9.583 -9.249 1.00 73.43 C ATOM 1475 C GLY A 92 10.488 9.014 -8.660 1.00 2.30 C ATOM 1476 O GLY A 92 11.536 9.116 -9.302 1.00 60.34 O ATOM 0 H GLY A 92 7.572 9.248 -7.998 1.00 21.12 H new ATOM 0 HA2 GLY A 92 8.740 8.840 -9.899 1.00 73.43 H new ATOM 0 HA3 GLY A 92 9.437 10.447 -9.870 1.00 73.43 H new ATOM 1480 N PHE A 93 10.419 8.436 -7.454 1.00 75.05 N ATOM 1481 CA PHE A 93 11.581 7.850 -6.794 1.00 53.43 C ATOM 1482 C PHE A 93 12.130 6.691 -7.631 1.00 30.04 C ATOM 1483 O PHE A 93 11.354 5.939 -8.225 1.00 71.14 O ATOM 1484 CB PHE A 93 11.178 7.327 -5.405 1.00 31.24 C ATOM 1485 CG PHE A 93 10.963 8.364 -4.321 1.00 1.33 C ATOM 1486 CD1 PHE A 93 11.730 9.542 -4.277 1.00 11.21 C ATOM 1487 CD2 PHE A 93 10.003 8.135 -3.320 1.00 1.10 C ATOM 1488 CE1 PHE A 93 11.476 10.516 -3.305 1.00 34.03 C ATOM 1489 CE2 PHE A 93 9.748 9.111 -2.341 1.00 62.23 C ATOM 1490 CZ PHE A 93 10.469 10.316 -2.346 1.00 14.23 C ATOM 0 H PHE A 93 9.557 8.364 -6.914 1.00 75.05 H new ATOM 0 HA PHE A 93 12.351 8.615 -6.689 1.00 53.43 H new ATOM 0 HB2 PHE A 93 10.258 6.752 -5.512 1.00 31.24 H new ATOM 0 HB3 PHE A 93 11.949 6.635 -5.065 1.00 31.24 H new ATOM 0 HD1 PHE A 93 12.520 9.696 -4.998 1.00 11.21 H new ATOM 0 HD2 PHE A 93 9.458 7.203 -3.303 1.00 1.10 H new ATOM 0 HE1 PHE A 93 12.057 11.426 -3.292 1.00 34.03 H new ATOM 0 HE2 PHE A 93 8.997 8.934 -1.585 1.00 62.23 H new ATOM 0 HZ PHE A 93 10.251 11.083 -1.618 1.00 14.23 H new ATOM 1500 N ASN A 94 13.450 6.483 -7.623 1.00 34.21 N ATOM 1501 CA ASN A 94 14.014 5.214 -8.084 1.00 65.11 C ATOM 1502 C ASN A 94 13.692 4.088 -7.102 1.00 22.34 C ATOM 1503 O ASN A 94 13.167 4.326 -6.016 1.00 53.42 O ATOM 1504 CB ASN A 94 15.528 5.310 -8.317 1.00 22.41 C ATOM 1505 CG ASN A 94 15.911 6.228 -9.464 1.00 0.24 C ATOM 1506 OD1 ASN A 94 16.785 7.078 -9.312 1.00 5.12 O ATOM 1507 ND2 ASN A 94 15.299 6.084 -10.630 1.00 43.42 N ATOM 0 H ASN A 94 14.138 7.167 -7.307 1.00 34.21 H new ATOM 0 HA ASN A 94 13.550 4.984 -9.043 1.00 65.11 H new ATOM 0 HB2 ASN A 94 16.006 5.665 -7.404 1.00 22.41 H new ATOM 0 HB3 ASN A 94 15.920 4.313 -8.515 1.00 22.41 H new ATOM 0 HD21 ASN A 94 15.552 6.683 -11.416 1.00 43.42 H new ATOM 0 HD22 ASN A 94 14.575 5.374 -10.742 1.00 43.42 H new ATOM 1514 N LEU A 95 14.044 2.850 -7.461 1.00 73.31 N ATOM 1515 CA LEU A 95 13.741 1.636 -6.700 1.00 42.41 C ATOM 1516 C LEU A 95 14.310 1.741 -5.276 1.00 72.42 C ATOM 1517 O LEU A 95 13.584 1.562 -4.299 1.00 1.22 O ATOM 1518 CB LEU A 95 14.272 0.425 -7.506 1.00 50.42 C ATOM 1519 CG LEU A 95 13.536 -0.922 -7.364 1.00 3.34 C ATOM 1520 CD1 LEU A 95 13.771 -1.597 -6.016 1.00 11.50 C ATOM 1521 CD2 LEU A 95 12.033 -0.818 -7.650 1.00 2.31 C ATOM 0 H LEU A 95 14.565 2.660 -8.317 1.00 73.31 H new ATOM 0 HA LEU A 95 12.667 1.501 -6.567 1.00 42.41 H new ATOM 0 HB2 LEU A 95 14.266 0.698 -8.561 1.00 50.42 H new ATOM 0 HB3 LEU A 95 15.313 0.267 -7.224 1.00 50.42 H new ATOM 0 HG LEU A 95 13.979 -1.556 -8.132 1.00 3.34 H new ATOM 0 HD11 LEU A 95 13.225 -2.540 -5.981 1.00 11.50 H new ATOM 0 HD12 LEU A 95 14.836 -1.789 -5.886 1.00 11.50 H new ATOM 0 HD13 LEU A 95 13.420 -0.945 -5.216 1.00 11.50 H new ATOM 0 HD21 LEU A 95 11.572 -1.799 -7.533 1.00 2.31 H new ATOM 0 HD22 LEU A 95 11.577 -0.117 -6.951 1.00 2.31 H new ATOM 0 HD23 LEU A 95 11.880 -0.464 -8.670 1.00 2.31 H new ATOM 1533 N GLU A 96 15.586 2.113 -5.165 1.00 3.33 N ATOM 1534 CA GLU A 96 16.295 2.367 -3.909 1.00 75.21 C ATOM 1535 C GLU A 96 15.650 3.512 -3.124 1.00 40.13 C ATOM 1536 O GLU A 96 15.587 3.491 -1.898 1.00 20.00 O ATOM 1537 CB GLU A 96 17.753 2.694 -4.275 1.00 24.43 C ATOM 1538 CG GLU A 96 18.685 3.133 -3.133 1.00 73.52 C ATOM 1539 CD GLU A 96 20.087 3.552 -3.621 1.00 24.14 C ATOM 1540 OE1 GLU A 96 20.400 3.403 -4.830 1.00 64.42 O ATOM 1541 OE2 GLU A 96 20.873 4.070 -2.794 1.00 13.04 O ATOM 0 H GLU A 96 16.180 2.252 -5.983 1.00 3.33 H new ATOM 0 HA GLU A 96 16.248 1.492 -3.261 1.00 75.21 H new ATOM 0 HB2 GLU A 96 18.188 1.813 -4.746 1.00 24.43 H new ATOM 0 HB3 GLU A 96 17.743 3.484 -5.025 1.00 24.43 H new ATOM 0 HG2 GLU A 96 18.228 3.967 -2.600 1.00 73.52 H new ATOM 0 HG3 GLU A 96 18.785 2.315 -2.419 1.00 73.52 H new ATOM 1548 N GLU A 97 15.170 4.541 -3.812 1.00 3.13 N ATOM 1549 CA GLU A 97 14.680 5.740 -3.156 1.00 12.15 C ATOM 1550 C GLU A 97 13.278 5.515 -2.600 1.00 23.10 C ATOM 1551 O GLU A 97 12.947 5.992 -1.514 1.00 55.21 O ATOM 1552 CB GLU A 97 14.688 6.908 -4.133 1.00 71.31 C ATOM 1553 CG GLU A 97 16.085 7.205 -4.672 1.00 20.41 C ATOM 1554 CD GLU A 97 15.993 8.472 -5.497 1.00 11.32 C ATOM 1555 OE1 GLU A 97 15.335 8.487 -6.544 1.00 61.34 O ATOM 1556 OE2 GLU A 97 16.496 9.507 -4.967 1.00 34.33 O ATOM 0 H GLU A 97 15.111 4.566 -4.830 1.00 3.13 H new ATOM 0 HA GLU A 97 15.340 5.976 -2.322 1.00 12.15 H new ATOM 0 HB2 GLU A 97 14.020 6.687 -4.965 1.00 71.31 H new ATOM 0 HB3 GLU A 97 14.296 7.796 -3.637 1.00 71.31 H new ATOM 0 HG2 GLU A 97 16.793 7.331 -3.853 1.00 20.41 H new ATOM 0 HG3 GLU A 97 16.446 6.376 -5.281 1.00 20.41 H new ATOM 1563 N ALA A 98 12.460 4.745 -3.315 1.00 1.32 N ATOM 1564 CA ALA A 98 11.161 4.329 -2.839 1.00 3.03 C ATOM 1565 C ALA A 98 11.348 3.546 -1.539 1.00 25.42 C ATOM 1566 O ALA A 98 10.636 3.815 -0.569 1.00 25.35 O ATOM 1567 CB ALA A 98 10.440 3.513 -3.913 1.00 63.44 C ATOM 0 H ALA A 98 12.690 4.395 -4.245 1.00 1.32 H new ATOM 0 HA ALA A 98 10.532 5.195 -2.632 1.00 3.03 H new ATOM 0 HB1 ALA A 98 9.462 3.206 -3.541 1.00 63.44 H new ATOM 0 HB2 ALA A 98 10.313 4.122 -4.808 1.00 63.44 H new ATOM 0 HB3 ALA A 98 11.030 2.629 -4.156 1.00 63.44 H new ATOM 1573 N ALA A 99 12.339 2.646 -1.498 1.00 41.21 N ATOM 1574 CA ALA A 99 12.726 1.900 -0.314 1.00 64.23 C ATOM 1575 C ALA A 99 13.184 2.832 0.812 1.00 33.13 C ATOM 1576 O ALA A 99 12.751 2.638 1.950 1.00 55.24 O ATOM 1577 CB ALA A 99 13.819 0.893 -0.675 1.00 61.22 C ATOM 0 H ALA A 99 12.904 2.417 -2.316 1.00 41.21 H new ATOM 0 HA ALA A 99 11.855 1.359 0.055 1.00 64.23 H new ATOM 0 HB1 ALA A 99 14.108 0.334 0.215 1.00 61.22 H new ATOM 0 HB2 ALA A 99 13.443 0.203 -1.430 1.00 61.22 H new ATOM 0 HB3 ALA A 99 14.687 1.423 -1.068 1.00 61.22 H new ATOM 1583 N ARG A 100 13.995 3.865 0.530 1.00 72.42 N ATOM 1584 CA ARG A 100 14.511 4.757 1.578 1.00 22.40 C ATOM 1585 C ARG A 100 13.350 5.472 2.260 1.00 21.22 C ATOM 1586 O ARG A 100 13.404 5.696 3.471 1.00 54.51 O ATOM 1587 CB ARG A 100 15.630 5.691 1.048 1.00 31.24 C ATOM 1588 CG ARG A 100 15.244 7.114 0.583 1.00 44.33 C ATOM 1589 CD ARG A 100 16.188 7.674 -0.502 1.00 60.03 C ATOM 1590 NE ARG A 100 16.976 8.849 -0.082 1.00 34.35 N ATOM 1591 CZ ARG A 100 17.533 9.749 -0.912 1.00 51.51 C ATOM 1592 NH1 ARG A 100 17.432 9.648 -2.237 1.00 32.34 N ATOM 1593 NH2 ARG A 100 18.208 10.782 -0.431 1.00 73.42 N ATOM 0 H ARG A 100 14.306 4.101 -0.412 1.00 72.42 H new ATOM 0 HA ARG A 100 15.007 4.168 2.349 1.00 22.40 H new ATOM 0 HB2 ARG A 100 16.379 5.791 1.834 1.00 31.24 H new ATOM 0 HB3 ARG A 100 16.113 5.188 0.210 1.00 31.24 H new ATOM 0 HG2 ARG A 100 14.225 7.099 0.197 1.00 44.33 H new ATOM 0 HG3 ARG A 100 15.250 7.785 1.442 1.00 44.33 H new ATOM 0 HD2 ARG A 100 16.873 6.885 -0.812 1.00 60.03 H new ATOM 0 HD3 ARG A 100 15.596 7.943 -1.377 1.00 60.03 H new ATOM 0 HE ARG A 100 17.109 8.990 0.919 1.00 34.35 H new ATOM 0 HH11 ARG A 100 16.919 8.870 -2.652 1.00 32.34 H new ATOM 0 HH12 ARG A 100 17.867 10.349 -2.837 1.00 32.34 H new ATOM 0 HH21 ARG A 100 18.309 10.900 0.577 1.00 73.42 H new ATOM 0 HH22 ARG A 100 18.627 11.459 -1.069 1.00 73.42 H new ATOM 1607 N CYS A 101 12.292 5.770 1.497 1.00 1.53 N ATOM 1608 CA CYS A 101 11.056 6.324 2.003 1.00 5.14 C ATOM 1609 C CYS A 101 10.318 5.285 2.857 1.00 64.30 C ATOM 1610 O CYS A 101 10.042 5.540 4.028 1.00 4.34 O ATOM 1611 CB CYS A 101 10.216 6.832 0.820 1.00 23.45 C ATOM 1612 SG CYS A 101 9.419 8.401 1.267 1.00 43.12 S ATOM 0 H CYS A 101 12.283 5.625 0.487 1.00 1.53 H new ATOM 0 HA CYS A 101 11.257 7.172 2.657 1.00 5.14 H new ATOM 0 HB2 CYS A 101 10.850 6.971 -0.056 1.00 23.45 H new ATOM 0 HB3 CYS A 101 9.461 6.092 0.553 1.00 23.45 H new ATOM 0 HG CYS A 101 9.641 9.281 0.336 1.00 43.12 H new ATOM 1618 N MET A 102 9.980 4.119 2.291 1.00 14.33 N ATOM 1619 CA MET A 102 9.147 3.108 2.957 1.00 12.53 C ATOM 1620 C MET A 102 9.772 2.592 4.256 1.00 44.43 C ATOM 1621 O MET A 102 9.033 2.315 5.203 1.00 3.12 O ATOM 1622 CB MET A 102 8.791 1.954 1.997 1.00 23.42 C ATOM 1623 CG MET A 102 7.891 2.484 0.877 1.00 65.51 C ATOM 1624 SD MET A 102 7.118 1.315 -0.271 1.00 33.14 S ATOM 1625 CE MET A 102 5.467 1.092 0.432 1.00 61.44 C ATOM 0 H MET A 102 10.278 3.849 1.354 1.00 14.33 H new ATOM 0 HA MET A 102 8.218 3.603 3.240 1.00 12.53 H new ATOM 0 HB2 MET A 102 9.699 1.523 1.576 1.00 23.42 H new ATOM 0 HB3 MET A 102 8.283 1.157 2.541 1.00 23.42 H new ATOM 0 HG2 MET A 102 7.092 3.060 1.344 1.00 65.51 H new ATOM 0 HG3 MET A 102 8.483 3.182 0.284 1.00 65.51 H new ATOM 0 HE1 MET A 102 4.848 0.527 -0.265 1.00 61.44 H new ATOM 0 HE2 MET A 102 5.543 0.548 1.373 1.00 61.44 H new ATOM 0 HE3 MET A 102 5.013 2.067 0.612 1.00 61.44 H new ATOM 1635 N ARG A 103 11.107 2.539 4.356 1.00 15.44 N ATOM 1636 CA ARG A 103 11.815 2.176 5.586 1.00 5.43 C ATOM 1637 C ARG A 103 11.387 3.058 6.770 1.00 54.03 C ATOM 1638 O ARG A 103 11.356 2.594 7.913 1.00 43.00 O ATOM 1639 CB ARG A 103 13.332 2.281 5.328 1.00 54.11 C ATOM 1640 CG ARG A 103 14.182 1.875 6.542 1.00 24.12 C ATOM 1641 CD ARG A 103 15.672 2.096 6.275 1.00 10.44 C ATOM 1642 NE ARG A 103 16.431 2.095 7.544 1.00 10.51 N ATOM 1643 CZ ARG A 103 17.576 1.473 7.848 1.00 31.32 C ATOM 1644 NH1 ARG A 103 18.208 0.726 6.968 1.00 42.22 N ATOM 1645 NH2 ARG A 103 18.112 1.582 9.058 1.00 75.55 N ATOM 0 H ARG A 103 11.730 2.749 3.576 1.00 15.44 H new ATOM 0 HA ARG A 103 11.560 1.152 5.858 1.00 5.43 H new ATOM 0 HB2 ARG A 103 13.595 1.648 4.481 1.00 54.11 H new ATOM 0 HB3 ARG A 103 13.576 3.306 5.048 1.00 54.11 H new ATOM 0 HG2 ARG A 103 13.876 2.455 7.413 1.00 24.12 H new ATOM 0 HG3 ARG A 103 14.004 0.826 6.779 1.00 24.12 H new ATOM 0 HD2 ARG A 103 16.050 1.313 5.618 1.00 10.44 H new ATOM 0 HD3 ARG A 103 15.818 3.044 5.758 1.00 10.44 H new ATOM 0 HE ARG A 103 16.022 2.649 8.297 1.00 10.51 H new ATOM 0 HH11 ARG A 103 17.826 0.611 6.029 1.00 42.22 H new ATOM 0 HH12 ARG A 103 19.080 0.262 7.225 1.00 42.22 H new ATOM 0 HH21 ARG A 103 17.650 2.146 9.771 1.00 75.55 H new ATOM 0 HH22 ARG A 103 18.985 1.102 9.274 1.00 75.55 H new ATOM 1659 N SER A 104 11.088 4.334 6.528 1.00 51.31 N ATOM 1660 CA SER A 104 10.719 5.312 7.550 1.00 45.24 C ATOM 1661 C SER A 104 9.308 5.108 8.133 1.00 62.12 C ATOM 1662 O SER A 104 8.952 5.776 9.109 1.00 1.51 O ATOM 1663 CB SER A 104 10.880 6.717 6.960 1.00 50.42 C ATOM 1664 OG SER A 104 12.192 6.880 6.438 1.00 73.03 O ATOM 0 H SER A 104 11.096 4.727 5.587 1.00 51.31 H new ATOM 0 HA SER A 104 11.390 5.173 8.398 1.00 45.24 H new ATOM 0 HB2 SER A 104 10.144 6.875 6.172 1.00 50.42 H new ATOM 0 HB3 SER A 104 10.690 7.467 7.728 1.00 50.42 H new ATOM 0 HG SER A 104 12.285 7.780 6.062 1.00 73.03 H new ATOM 1670 N LEU A 105 8.493 4.211 7.567 1.00 42.53 N ATOM 1671 CA LEU A 105 7.196 3.828 8.116 1.00 4.01 C ATOM 1672 C LEU A 105 7.465 2.825 9.238 1.00 72.51 C ATOM 1673 O LEU A 105 8.026 1.760 8.979 1.00 63.13 O ATOM 1674 CB LEU A 105 6.314 3.265 6.984 1.00 23.21 C ATOM 1675 CG LEU A 105 4.797 3.513 7.126 1.00 23.03 C ATOM 1676 CD1 LEU A 105 4.122 3.244 5.783 1.00 52.32 C ATOM 1677 CD2 LEU A 105 4.074 2.687 8.153 1.00 3.30 C ATOM 0 H LEU A 105 8.724 3.725 6.700 1.00 42.53 H new ATOM 0 HA LEU A 105 6.648 4.672 8.535 1.00 4.01 H new ATOM 0 HB2 LEU A 105 6.647 3.698 6.041 1.00 23.21 H new ATOM 0 HB3 LEU A 105 6.482 2.190 6.918 1.00 23.21 H new ATOM 0 HG LEU A 105 4.727 4.547 7.462 1.00 23.03 H new ATOM 0 HD11 LEU A 105 3.050 3.417 5.874 1.00 52.32 H new ATOM 0 HD12 LEU A 105 4.535 3.913 5.028 1.00 52.32 H new ATOM 0 HD13 LEU A 105 4.299 2.210 5.487 1.00 52.32 H new ATOM 0 HD21 LEU A 105 3.017 2.954 8.156 1.00 3.30 H new ATOM 0 HD22 LEU A 105 4.180 1.630 7.910 1.00 3.30 H new ATOM 0 HD23 LEU A 105 4.499 2.878 9.138 1.00 3.30 H new ATOM 1689 N LYS A 106 7.117 3.197 10.474 1.00 35.12 N ATOM 1690 CA LYS A 106 7.239 2.385 11.688 1.00 50.43 C ATOM 1691 C LYS A 106 6.485 1.071 11.538 1.00 32.31 C ATOM 1692 O LYS A 106 6.992 0.006 11.885 1.00 13.12 O ATOM 1693 CB LYS A 106 6.635 3.140 12.892 1.00 73.21 C ATOM 1694 CG LYS A 106 7.541 4.200 13.531 1.00 42.01 C ATOM 1695 CD LYS A 106 8.573 3.527 14.441 1.00 21.44 C ATOM 1696 CE LYS A 106 9.593 4.496 15.049 1.00 32.50 C ATOM 1697 NZ LYS A 106 9.049 5.257 16.190 1.00 33.12 N ATOM 0 H LYS A 106 6.723 4.119 10.664 1.00 35.12 H new ATOM 0 HA LYS A 106 8.299 2.188 11.849 1.00 50.43 H new ATOM 0 HB2 LYS A 106 5.712 3.623 12.570 1.00 73.21 H new ATOM 0 HB3 LYS A 106 6.363 2.411 13.656 1.00 73.21 H new ATOM 0 HG2 LYS A 106 8.048 4.773 12.755 1.00 42.01 H new ATOM 0 HG3 LYS A 106 6.941 4.904 14.107 1.00 42.01 H new ATOM 0 HD2 LYS A 106 8.051 3.012 15.247 1.00 21.44 H new ATOM 0 HD3 LYS A 106 9.105 2.767 13.870 1.00 21.44 H new ATOM 0 HE2 LYS A 106 10.469 3.936 15.376 1.00 32.50 H new ATOM 0 HE3 LYS A 106 9.929 5.192 14.281 1.00 32.50 H new ATOM 0 HZ1 LYS A 106 9.781 5.896 16.562 1.00 33.12 H new ATOM 0 HZ2 LYS A 106 8.229 5.815 15.876 1.00 33.12 H new ATOM 0 HZ3 LYS A 106 8.753 4.597 16.938 1.00 33.12 H new ATOM 1711 N ALA A 107 5.237 1.175 11.091 1.00 13.25 N ATOM 1712 CA ALA A 107 4.374 0.029 10.932 1.00 74.14 C ATOM 1713 C ALA A 107 4.904 -0.819 9.763 1.00 32.42 C ATOM 1714 O ALA A 107 5.401 -0.269 8.777 1.00 45.04 O ATOM 1715 CB ALA A 107 2.954 0.553 10.705 1.00 45.35 C ATOM 0 H ALA A 107 4.803 2.061 10.831 1.00 13.25 H new ATOM 0 HA ALA A 107 4.358 -0.615 11.811 1.00 74.14 H new ATOM 0 HB1 ALA A 107 2.272 -0.288 10.580 1.00 45.35 H new ATOM 0 HB2 ALA A 107 2.644 1.148 11.564 1.00 45.35 H new ATOM 0 HB3 ALA A 107 2.934 1.173 9.809 1.00 45.35 H new ATOM 1721 N PRO A 108 4.811 -2.154 9.826 1.00 51.21 N ATOM 1722 CA PRO A 108 5.412 -3.021 8.832 1.00 72.22 C ATOM 1723 C PRO A 108 4.488 -3.082 7.623 1.00 0.44 C ATOM 1724 O PRO A 108 3.288 -3.319 7.772 1.00 31.42 O ATOM 1725 CB PRO A 108 5.565 -4.369 9.524 1.00 73.13 C ATOM 1726 CG PRO A 108 4.363 -4.411 10.463 1.00 34.13 C ATOM 1727 CD PRO A 108 4.134 -2.946 10.833 1.00 31.42 C ATOM 0 HA PRO A 108 6.380 -2.677 8.468 1.00 72.22 H new ATOM 0 HB2 PRO A 108 5.549 -5.193 8.811 1.00 73.13 H new ATOM 0 HB3 PRO A 108 6.506 -4.438 10.070 1.00 73.13 H new ATOM 0 HG2 PRO A 108 3.489 -4.841 9.974 1.00 34.13 H new ATOM 0 HG3 PRO A 108 4.566 -5.019 11.345 1.00 34.13 H new ATOM 0 HD2 PRO A 108 3.069 -2.714 10.857 1.00 31.42 H new ATOM 0 HD3 PRO A 108 4.529 -2.731 11.826 1.00 31.42 H new ATOM 1735 N ALA A 109 5.029 -2.832 6.436 1.00 24.42 N ATOM 1736 CA ALA A 109 4.235 -2.650 5.241 1.00 42.43 C ATOM 1737 C ALA A 109 4.774 -3.597 4.175 1.00 44.31 C ATOM 1738 O ALA A 109 5.905 -3.426 3.708 1.00 71.31 O ATOM 1739 CB ALA A 109 4.299 -1.187 4.828 1.00 55.35 C ATOM 0 H ALA A 109 6.034 -2.751 6.282 1.00 24.42 H new ATOM 0 HA ALA A 109 3.184 -2.889 5.402 1.00 42.43 H new ATOM 0 HB1 ALA A 109 3.704 -1.037 3.927 1.00 55.35 H new ATOM 0 HB2 ALA A 109 3.905 -0.565 5.631 1.00 55.35 H new ATOM 0 HB3 ALA A 109 5.334 -0.910 4.629 1.00 55.35 H new ATOM 1745 N VAL A 110 3.990 -4.616 3.833 1.00 65.42 N ATOM 1746 CA VAL A 110 4.277 -5.491 2.703 1.00 61.20 C ATOM 1747 C VAL A 110 4.240 -4.623 1.439 1.00 10.22 C ATOM 1748 O VAL A 110 3.396 -3.723 1.350 1.00 4.11 O ATOM 1749 CB VAL A 110 3.242 -6.642 2.682 1.00 61.35 C ATOM 1750 CG1 VAL A 110 3.445 -7.627 1.522 1.00 41.23 C ATOM 1751 CG2 VAL A 110 3.287 -7.445 3.991 1.00 25.23 C ATOM 0 H VAL A 110 3.135 -4.858 4.334 1.00 65.42 H new ATOM 0 HA VAL A 110 5.260 -5.958 2.772 1.00 61.20 H new ATOM 0 HB VAL A 110 2.276 -6.153 2.554 1.00 61.35 H new ATOM 0 HG11 VAL A 110 2.685 -8.407 1.570 1.00 41.23 H new ATOM 0 HG12 VAL A 110 3.361 -7.095 0.574 1.00 41.23 H new ATOM 0 HG13 VAL A 110 4.434 -8.079 1.597 1.00 41.23 H new ATOM 0 HG21 VAL A 110 2.551 -8.248 3.951 1.00 25.23 H new ATOM 0 HG22 VAL A 110 4.282 -7.871 4.122 1.00 25.23 H new ATOM 0 HG23 VAL A 110 3.061 -6.787 4.830 1.00 25.23 H new ATOM 1761 N VAL A 111 5.109 -4.908 0.465 1.00 53.31 N ATOM 1762 CA VAL A 111 5.001 -4.349 -0.881 1.00 40.31 C ATOM 1763 C VAL A 111 5.091 -5.509 -1.864 1.00 51.32 C ATOM 1764 O VAL A 111 5.565 -6.582 -1.488 1.00 70.22 O ATOM 1765 CB VAL A 111 6.046 -3.233 -1.140 1.00 54.00 C ATOM 1766 CG1 VAL A 111 6.182 -2.230 0.006 1.00 52.24 C ATOM 1767 CG2 VAL A 111 7.458 -3.726 -1.437 1.00 72.12 C ATOM 0 H VAL A 111 5.906 -5.533 0.590 1.00 53.31 H new ATOM 0 HA VAL A 111 4.043 -3.845 -1.010 1.00 40.31 H new ATOM 0 HB VAL A 111 5.627 -2.757 -2.027 1.00 54.00 H new ATOM 0 HG11 VAL A 111 6.932 -1.482 -0.252 1.00 52.24 H new ATOM 0 HG12 VAL A 111 5.224 -1.740 0.176 1.00 52.24 H new ATOM 0 HG13 VAL A 111 6.488 -2.752 0.912 1.00 52.24 H new ATOM 0 HG21 VAL A 111 8.114 -2.872 -1.604 1.00 72.12 H new ATOM 0 HG22 VAL A 111 7.826 -4.307 -0.591 1.00 72.12 H new ATOM 0 HG23 VAL A 111 7.445 -4.353 -2.329 1.00 72.12 H new ATOM 1777 N SER A 112 4.657 -5.305 -3.106 1.00 41.23 N ATOM 1778 CA SER A 112 4.617 -6.353 -4.107 1.00 32.15 C ATOM 1779 C SER A 112 5.222 -5.828 -5.392 1.00 43.21 C ATOM 1780 O SER A 112 4.592 -5.021 -6.077 1.00 74.31 O ATOM 1781 CB SER A 112 3.190 -6.860 -4.258 1.00 4.41 C ATOM 1782 OG SER A 112 3.147 -8.062 -4.980 1.00 64.23 O ATOM 0 H SER A 112 4.323 -4.402 -3.442 1.00 41.23 H new ATOM 0 HA SER A 112 5.214 -7.214 -3.806 1.00 32.15 H new ATOM 0 HB2 SER A 112 2.749 -7.010 -3.272 1.00 4.41 H new ATOM 0 HB3 SER A 112 2.587 -6.107 -4.766 1.00 4.41 H new ATOM 0 HG SER A 112 2.397 -8.038 -5.610 1.00 64.23 H new ATOM 1788 N VAL A 113 6.456 -6.230 -5.676 1.00 32.30 N ATOM 1789 CA VAL A 113 7.153 -5.894 -6.910 1.00 15.52 C ATOM 1790 C VAL A 113 6.693 -6.807 -8.056 1.00 51.21 C ATOM 1791 O VAL A 113 6.003 -7.811 -7.847 1.00 0.50 O ATOM 1792 CB VAL A 113 8.680 -6.025 -6.727 1.00 14.20 C ATOM 1793 CG1 VAL A 113 9.305 -4.835 -5.987 1.00 73.15 C ATOM 1794 CG2 VAL A 113 9.079 -7.294 -5.963 1.00 44.40 C ATOM 0 H VAL A 113 7.009 -6.809 -5.043 1.00 32.30 H new ATOM 0 HA VAL A 113 6.913 -4.860 -7.159 1.00 15.52 H new ATOM 0 HB VAL A 113 9.061 -6.064 -7.747 1.00 14.20 H new ATOM 0 HG11 VAL A 113 10.380 -4.990 -5.892 1.00 73.15 H new ATOM 0 HG12 VAL A 113 9.119 -3.919 -6.548 1.00 73.15 H new ATOM 0 HG13 VAL A 113 8.861 -4.750 -4.995 1.00 73.15 H new ATOM 0 HG21 VAL A 113 10.164 -7.333 -5.864 1.00 44.40 H new ATOM 0 HG22 VAL A 113 8.625 -7.280 -4.972 1.00 44.40 H new ATOM 0 HG23 VAL A 113 8.732 -8.171 -6.509 1.00 44.40 H new ATOM 1804 N SER A 114 7.132 -6.479 -9.275 1.00 42.30 N ATOM 1805 CA SER A 114 6.667 -7.088 -10.510 1.00 24.20 C ATOM 1806 C SER A 114 7.025 -8.574 -10.657 1.00 11.22 C ATOM 1807 O SER A 114 6.379 -9.289 -11.426 1.00 23.11 O ATOM 1808 CB SER A 114 7.230 -6.282 -11.693 1.00 42.32 C ATOM 1809 OG SER A 114 6.498 -6.508 -12.882 1.00 63.41 O ATOM 0 H SER A 114 7.841 -5.761 -9.426 1.00 42.30 H new ATOM 0 HA SER A 114 5.578 -7.059 -10.492 1.00 24.20 H new ATOM 0 HB2 SER A 114 7.210 -5.219 -11.451 1.00 42.32 H new ATOM 0 HB3 SER A 114 8.274 -6.553 -11.852 1.00 42.32 H new ATOM 0 HG SER A 114 6.885 -5.978 -13.610 1.00 63.41 H new ATOM 1815 N SER A 115 8.081 -9.060 -10.005 1.00 11.23 N ATOM 1816 CA SER A 115 8.542 -10.439 -10.131 1.00 22.54 C ATOM 1817 C SER A 115 9.289 -10.824 -8.852 1.00 24.10 C ATOM 1818 O SER A 115 9.765 -9.923 -8.152 1.00 71.02 O ATOM 1819 CB SER A 115 9.429 -10.542 -11.378 1.00 4.33 C ATOM 1820 OG SER A 115 8.665 -10.234 -12.532 1.00 55.14 O ATOM 0 H SER A 115 8.646 -8.499 -9.367 1.00 11.23 H new ATOM 0 HA SER A 115 7.710 -11.133 -10.252 1.00 22.54 H new ATOM 0 HB2 SER A 115 10.272 -9.857 -11.294 1.00 4.33 H new ATOM 0 HB3 SER A 115 9.842 -11.547 -11.461 1.00 4.33 H new ATOM 0 HG SER A 115 7.752 -9.998 -12.266 1.00 55.14 H new ATOM 1826 N PRO A 116 9.411 -12.123 -8.523 1.00 63.40 N ATOM 1827 CA PRO A 116 9.927 -12.541 -7.228 1.00 12.35 C ATOM 1828 C PRO A 116 11.416 -12.204 -7.099 1.00 44.12 C ATOM 1829 O PRO A 116 11.903 -11.930 -6.010 1.00 32.55 O ATOM 1830 CB PRO A 116 9.619 -14.034 -7.116 1.00 71.22 C ATOM 1831 CG PRO A 116 9.609 -14.494 -8.568 1.00 61.12 C ATOM 1832 CD PRO A 116 9.078 -13.284 -9.338 1.00 21.52 C ATOM 0 HA PRO A 116 9.457 -12.010 -6.400 1.00 12.35 H new ATOM 0 HB2 PRO A 116 10.375 -14.559 -6.532 1.00 71.22 H new ATOM 0 HB3 PRO A 116 8.660 -14.212 -6.630 1.00 71.22 H new ATOM 0 HG2 PRO A 116 10.607 -14.774 -8.904 1.00 61.12 H new ATOM 0 HG3 PRO A 116 8.970 -15.366 -8.706 1.00 61.12 H new ATOM 0 HD2 PRO A 116 9.537 -13.215 -10.324 1.00 21.52 H new ATOM 0 HD3 PRO A 116 8.002 -13.359 -9.492 1.00 21.52 H new ATOM 1840 N ASP A 117 12.145 -12.117 -8.208 1.00 13.12 N ATOM 1841 CA ASP A 117 13.557 -11.749 -8.235 1.00 55.13 C ATOM 1842 C ASP A 117 13.829 -10.346 -7.688 1.00 74.43 C ATOM 1843 O ASP A 117 14.878 -10.124 -7.094 1.00 35.25 O ATOM 1844 CB ASP A 117 13.968 -11.834 -9.709 1.00 1.51 C ATOM 1845 CG ASP A 117 15.465 -11.713 -9.957 1.00 35.15 C ATOM 1846 OD1 ASP A 117 16.186 -12.710 -9.743 1.00 61.12 O ATOM 1847 OD2 ASP A 117 15.900 -10.667 -10.492 1.00 75.41 O ATOM 0 H ASP A 117 11.761 -12.305 -9.134 1.00 13.12 H new ATOM 0 HA ASP A 117 14.129 -12.418 -7.592 1.00 55.13 H new ATOM 0 HB2 ASP A 117 13.621 -12.784 -10.115 1.00 1.51 H new ATOM 0 HB3 ASP A 117 13.457 -11.046 -10.261 1.00 1.51 H new ATOM 1852 N ALA A 118 12.870 -9.425 -7.831 1.00 24.45 N ATOM 1853 CA ALA A 118 12.984 -8.047 -7.369 1.00 65.21 C ATOM 1854 C ALA A 118 12.716 -7.909 -5.864 1.00 54.52 C ATOM 1855 O ALA A 118 12.902 -6.813 -5.324 1.00 51.11 O ATOM 1856 CB ALA A 118 11.993 -7.204 -8.186 1.00 34.43 C ATOM 0 H ALA A 118 11.977 -9.626 -8.281 1.00 24.45 H new ATOM 0 HA ALA A 118 14.006 -7.698 -7.519 1.00 65.21 H new ATOM 0 HB1 ALA A 118 12.051 -6.163 -7.867 1.00 34.43 H new ATOM 0 HB2 ALA A 118 12.243 -7.273 -9.245 1.00 34.43 H new ATOM 0 HB3 ALA A 118 10.981 -7.577 -8.027 1.00 34.43 H new ATOM 1862 N VAL A 119 12.249 -8.971 -5.198 1.00 24.34 N ATOM 1863 CA VAL A 119 11.772 -8.950 -3.817 1.00 11.32 C ATOM 1864 C VAL A 119 12.958 -8.685 -2.898 1.00 71.54 C ATOM 1865 O VAL A 119 12.938 -7.708 -2.147 1.00 32.12 O ATOM 1866 CB VAL A 119 11.030 -10.271 -3.516 1.00 34.44 C ATOM 1867 CG1 VAL A 119 10.497 -10.419 -2.084 1.00 15.35 C ATOM 1868 CG2 VAL A 119 9.790 -10.353 -4.416 1.00 14.41 C ATOM 0 H VAL A 119 12.192 -9.897 -5.622 1.00 24.34 H new ATOM 0 HA VAL A 119 11.053 -8.149 -3.648 1.00 11.32 H new ATOM 0 HB VAL A 119 11.775 -11.049 -3.683 1.00 34.44 H new ATOM 0 HG11 VAL A 119 9.994 -11.380 -1.981 1.00 15.35 H new ATOM 0 HG12 VAL A 119 11.327 -10.366 -1.380 1.00 15.35 H new ATOM 0 HG13 VAL A 119 9.791 -9.616 -1.874 1.00 15.35 H new ATOM 0 HG21 VAL A 119 9.255 -11.281 -4.215 1.00 14.41 H new ATOM 0 HG22 VAL A 119 9.136 -9.506 -4.212 1.00 14.41 H new ATOM 0 HG23 VAL A 119 10.097 -10.331 -5.462 1.00 14.41 H new ATOM 1878 N THR A 120 14.012 -9.498 -3.002 1.00 12.31 N ATOM 1879 CA THR A 120 15.207 -9.264 -2.205 1.00 4.32 C ATOM 1880 C THR A 120 15.827 -7.914 -2.573 1.00 22.42 C ATOM 1881 O THR A 120 16.342 -7.230 -1.698 1.00 52.33 O ATOM 1882 CB THR A 120 16.169 -10.435 -2.438 1.00 22.51 C ATOM 1883 OG1 THR A 120 15.610 -11.598 -1.859 1.00 11.34 O ATOM 1884 CG2 THR A 120 17.540 -10.203 -1.811 1.00 10.42 C ATOM 0 H THR A 120 14.059 -10.308 -3.620 1.00 12.31 H new ATOM 0 HA THR A 120 14.968 -9.216 -1.143 1.00 4.32 H new ATOM 0 HB THR A 120 16.306 -10.539 -3.514 1.00 22.51 H new ATOM 0 HG1 THR A 120 16.214 -12.357 -2.001 1.00 11.34 H new ATOM 0 HG21 THR A 120 18.180 -11.063 -2.007 1.00 10.42 H new ATOM 0 HG22 THR A 120 17.991 -9.309 -2.243 1.00 10.42 H new ATOM 0 HG23 THR A 120 17.430 -10.070 -0.735 1.00 10.42 H new ATOM 1892 N THR A 121 15.769 -7.499 -3.835 1.00 12.12 N ATOM 1893 CA THR A 121 16.416 -6.288 -4.304 1.00 24.54 C ATOM 1894 C THR A 121 15.814 -5.053 -3.626 1.00 31.32 C ATOM 1895 O THR A 121 16.566 -4.181 -3.193 1.00 75.55 O ATOM 1896 CB THR A 121 16.278 -6.248 -5.827 1.00 15.54 C ATOM 1897 OG1 THR A 121 16.597 -7.506 -6.385 1.00 50.24 O ATOM 1898 CG2 THR A 121 17.099 -5.139 -6.483 1.00 71.30 C ATOM 0 H THR A 121 15.265 -8.003 -4.565 1.00 12.12 H new ATOM 0 HA THR A 121 17.474 -6.285 -4.042 1.00 24.54 H new ATOM 0 HB THR A 121 15.234 -6.015 -6.036 1.00 15.54 H new ATOM 0 HG1 THR A 121 16.502 -7.465 -7.360 1.00 50.24 H new ATOM 0 HG21 THR A 121 16.954 -5.169 -7.563 1.00 71.30 H new ATOM 0 HG22 THR A 121 16.775 -4.171 -6.100 1.00 71.30 H new ATOM 0 HG23 THR A 121 18.155 -5.284 -6.255 1.00 71.30 H new ATOM 1906 N TYR A 122 14.482 -4.981 -3.504 1.00 41.11 N ATOM 1907 CA TYR A 122 13.802 -3.852 -2.877 1.00 22.22 C ATOM 1908 C TYR A 122 14.208 -3.769 -1.405 1.00 22.22 C ATOM 1909 O TYR A 122 14.749 -2.758 -0.964 1.00 21.14 O ATOM 1910 CB TYR A 122 12.282 -3.990 -3.048 1.00 4.22 C ATOM 1911 CG TYR A 122 11.492 -2.741 -2.663 1.00 63.33 C ATOM 1912 CD1 TYR A 122 11.035 -2.502 -1.345 1.00 54.23 C ATOM 1913 CD2 TYR A 122 11.254 -1.776 -3.660 1.00 34.53 C ATOM 1914 CE1 TYR A 122 10.400 -1.276 -1.033 1.00 64.32 C ATOM 1915 CE2 TYR A 122 10.665 -0.545 -3.349 1.00 72.43 C ATOM 1916 CZ TYR A 122 10.249 -0.288 -2.032 1.00 3.20 C ATOM 1917 OH TYR A 122 9.663 0.903 -1.763 1.00 12.11 O ATOM 0 H TYR A 122 13.849 -5.707 -3.839 1.00 41.11 H new ATOM 0 HA TYR A 122 14.099 -2.922 -3.362 1.00 22.22 H new ATOM 0 HB2 TYR A 122 12.066 -4.237 -4.087 1.00 4.22 H new ATOM 0 HB3 TYR A 122 11.934 -4.827 -2.443 1.00 4.22 H new ATOM 0 HD1 TYR A 122 11.170 -3.252 -0.580 1.00 54.23 H new ATOM 0 HD2 TYR A 122 11.531 -1.989 -4.682 1.00 34.53 H new ATOM 0 HE1 TYR A 122 10.032 -1.096 -0.034 1.00 64.32 H new ATOM 0 HE2 TYR A 122 10.531 0.203 -4.117 1.00 72.43 H new ATOM 0 HH TYR A 122 8.727 0.758 -1.510 1.00 12.11 H new ATOM 1927 N ASN A 123 14.005 -4.852 -0.649 1.00 33.31 N ATOM 1928 CA ASN A 123 14.369 -4.954 0.773 1.00 71.34 C ATOM 1929 C ASN A 123 15.867 -4.717 0.976 1.00 54.31 C ATOM 1930 O ASN A 123 16.268 -4.159 1.995 1.00 54.21 O ATOM 1931 CB ASN A 123 14.000 -6.360 1.307 1.00 2.35 C ATOM 1932 CG ASN A 123 12.679 -6.442 2.075 1.00 51.14 C ATOM 1933 OD1 ASN A 123 12.082 -5.449 2.492 1.00 42.23 O ATOM 1934 ND2 ASN A 123 12.176 -7.654 2.263 1.00 71.24 N ATOM 0 H ASN A 123 13.574 -5.702 -1.013 1.00 33.31 H new ATOM 0 HA ASN A 123 13.817 -4.189 1.320 1.00 71.34 H new ATOM 0 HB2 ASN A 123 13.955 -7.050 0.465 1.00 2.35 H new ATOM 0 HB3 ASN A 123 14.802 -6.705 1.959 1.00 2.35 H new ATOM 0 HD21 ASN A 123 11.290 -7.768 2.755 1.00 71.24 H new ATOM 0 HD22 ASN A 123 12.675 -8.473 1.915 1.00 71.24 H new ATOM 1941 N GLY A 124 16.700 -5.063 -0.007 1.00 33.22 N ATOM 1942 CA GLY A 124 18.131 -4.825 0.044 1.00 74.33 C ATOM 1943 C GLY A 124 18.483 -3.339 0.049 1.00 23.32 C ATOM 1944 O GLY A 124 19.588 -2.990 0.458 1.00 64.13 O ATOM 0 H GLY A 124 16.391 -5.520 -0.865 1.00 33.22 H new ATOM 0 HA2 GLY A 124 18.541 -5.294 0.938 1.00 74.33 H new ATOM 0 HA3 GLY A 124 18.605 -5.303 -0.813 1.00 74.33 H new ATOM 1948 N TYR A 125 17.584 -2.445 -0.364 1.00 31.54 N ATOM 1949 CA TYR A 125 17.766 -1.009 -0.195 1.00 45.53 C ATOM 1950 C TYR A 125 17.137 -0.522 1.118 1.00 0.53 C ATOM 1951 O TYR A 125 17.550 0.519 1.634 1.00 43.15 O ATOM 1952 CB TYR A 125 17.188 -0.264 -1.404 1.00 21.01 C ATOM 1953 CG TYR A 125 17.823 -0.588 -2.753 1.00 20.43 C ATOM 1954 CD1 TYR A 125 19.174 -0.278 -3.011 1.00 23.31 C ATOM 1955 CD2 TYR A 125 17.036 -1.137 -3.782 1.00 74.31 C ATOM 1956 CE1 TYR A 125 19.739 -0.519 -4.281 1.00 64.42 C ATOM 1957 CE2 TYR A 125 17.591 -1.378 -5.051 1.00 45.52 C ATOM 1958 CZ TYR A 125 18.943 -1.071 -5.315 1.00 1.11 C ATOM 1959 OH TYR A 125 19.423 -1.293 -6.576 1.00 61.12 O ATOM 0 H TYR A 125 16.710 -2.699 -0.825 1.00 31.54 H new ATOM 0 HA TYR A 125 18.833 -0.796 -0.137 1.00 45.53 H new ATOM 0 HB2 TYR A 125 16.122 -0.482 -1.465 1.00 21.01 H new ATOM 0 HB3 TYR A 125 17.285 0.807 -1.227 1.00 21.01 H new ATOM 0 HD1 TYR A 125 19.783 0.149 -2.228 1.00 23.31 H new ATOM 0 HD2 TYR A 125 15.999 -1.375 -3.596 1.00 74.31 H new ATOM 0 HE1 TYR A 125 20.777 -0.283 -4.465 1.00 64.42 H new ATOM 0 HE2 TYR A 125 16.977 -1.802 -5.831 1.00 45.52 H new ATOM 0 HH TYR A 125 18.714 -1.678 -7.133 1.00 61.12 H new ATOM 1969 N LEU A 126 16.187 -1.263 1.713 1.00 21.02 N ATOM 1970 CA LEU A 126 15.781 -1.016 3.094 1.00 13.31 C ATOM 1971 C LEU A 126 16.908 -1.374 4.050 1.00 65.15 C ATOM 1972 O LEU A 126 16.949 -0.804 5.131 1.00 11.04 O ATOM 1973 CB LEU A 126 14.524 -1.787 3.533 1.00 61.33 C ATOM 1974 CG LEU A 126 13.254 -1.147 2.973 1.00 1.51 C ATOM 1975 CD1 LEU A 126 12.868 -1.703 1.628 1.00 32.03 C ATOM 1976 CD2 LEU A 126 12.075 -1.315 3.914 1.00 22.14 C ATOM 0 H LEU A 126 15.693 -2.031 1.258 1.00 21.02 H new ATOM 0 HA LEU A 126 15.544 0.047 3.131 1.00 13.31 H new ATOM 0 HB2 LEU A 126 14.592 -2.821 3.194 1.00 61.33 H new ATOM 0 HB3 LEU A 126 14.472 -1.811 4.621 1.00 61.33 H new ATOM 0 HG LEU A 126 13.492 -0.089 2.863 1.00 1.51 H new ATOM 0 HD11 LEU A 126 11.959 -1.212 1.279 1.00 32.03 H new ATOM 0 HD12 LEU A 126 13.674 -1.525 0.916 1.00 32.03 H new ATOM 0 HD13 LEU A 126 12.691 -2.775 1.715 1.00 32.03 H new ATOM 0 HD21 LEU A 126 11.192 -0.846 3.479 1.00 22.14 H new ATOM 0 HD22 LEU A 126 11.882 -2.376 4.070 1.00 22.14 H new ATOM 0 HD23 LEU A 126 12.302 -0.843 4.870 1.00 22.14 H new ATOM 1988 N THR A 127 17.797 -2.304 3.704 1.00 4.12 N ATOM 1989 CA THR A 127 18.943 -2.650 4.525 1.00 35.43 C ATOM 1990 C THR A 127 19.924 -3.464 3.681 1.00 2.01 C ATOM 1991 O THR A 127 19.634 -4.595 3.272 1.00 51.43 O ATOM 1992 CB THR A 127 18.489 -3.364 5.826 1.00 43.14 C ATOM 1993 OG1 THR A 127 19.593 -3.924 6.524 1.00 2.32 O ATOM 1994 CG2 THR A 127 17.407 -4.443 5.624 1.00 4.52 C ATOM 0 H THR A 127 17.736 -2.839 2.838 1.00 4.12 H new ATOM 0 HA THR A 127 19.466 -1.753 4.857 1.00 35.43 H new ATOM 0 HB THR A 127 18.031 -2.574 6.422 1.00 43.14 H new ATOM 0 HG1 THR A 127 19.275 -4.365 7.339 1.00 2.32 H new ATOM 0 HG21 THR A 127 17.152 -4.887 6.586 1.00 4.52 H new ATOM 0 HG22 THR A 127 16.518 -3.989 5.187 1.00 4.52 H new ATOM 0 HG23 THR A 127 17.785 -5.217 4.956 1.00 4.52 H new ATOM 2002 N SER A 128 21.110 -2.907 3.450 1.00 35.13 N ATOM 2003 CA SER A 128 22.293 -3.656 3.076 1.00 12.44 C ATOM 2004 C SER A 128 23.465 -3.089 3.863 1.00 71.41 C ATOM 2005 O SER A 128 23.570 -1.869 4.015 1.00 53.32 O ATOM 2006 CB SER A 128 22.509 -3.544 1.566 1.00 2.51 C ATOM 2007 OG SER A 128 23.681 -4.214 1.139 1.00 1.22 O ATOM 0 H SER A 128 21.272 -1.902 3.521 1.00 35.13 H new ATOM 0 HA SER A 128 22.188 -4.716 3.309 1.00 12.44 H new ATOM 0 HB2 SER A 128 21.646 -3.960 1.046 1.00 2.51 H new ATOM 0 HB3 SER A 128 22.573 -2.492 1.287 1.00 2.51 H new ATOM 0 HG SER A 128 23.778 -4.118 0.169 1.00 1.22 H new ATOM 2013 N SER A 129 24.346 -3.996 4.297 1.00 55.25 N ATOM 2014 CA SER A 129 25.596 -3.746 4.994 1.00 25.42 C ATOM 2015 C SER A 129 25.341 -3.222 6.400 1.00 34.23 C ATOM 2016 O SER A 129 25.689 -3.961 7.342 1.00 1.12 O ATOM 2017 CB SER A 129 26.519 -2.840 4.170 1.00 74.33 C ATOM 2018 OG SER A 129 26.801 -3.413 2.903 1.00 43.15 O ATOM 0 H SER A 129 24.186 -4.993 4.157 1.00 55.25 H new ATOM 0 HA SER A 129 26.124 -4.692 5.110 1.00 25.42 H new ATOM 0 HB2 SER A 129 26.051 -1.865 4.035 1.00 74.33 H new ATOM 0 HB3 SER A 129 27.450 -2.674 4.713 1.00 74.33 H new ATOM 0 HG SER A 129 27.390 -2.815 2.397 1.00 43.15 H new TER 2024 SER A 129