USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 955 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 82 THR OG1 : rot -90:sc= -1.62 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.34 X(o=-1.5,f=-1.5) USER MOD Set 1.3: A 85 SER OG : rot 27:sc= 0.436 USER MOD Set 2.1: A 13 SER OG : rot 180:sc= -0.115 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0.0611 USER MOD Set 3.1: A 1 MET N :NH3+ -156:sc= -0.0402 (180deg=-0.266) USER MOD Set 3.2: A 2 GLN : amide:sc= -1.25 K(o=-1.3,f=-3.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.636 USER MOD Single : A 30 CYS SG : rot 38:sc= -0.0542 USER MOD Single : A 31 THR OG1 : rot 107:sc= 1.86 USER MOD Single : A 32 THR OG1 : rot 21:sc= 0.228 USER MOD Single : A 35 ASN : amide:sc= -0.988 X(o=-0.99,f=-0.9) USER MOD Single : A 37 ASN : amide:sc= -2.83 K(o=-2.8,f=-4.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 53 SER OG : rot 160:sc= -0.994 USER MOD Single : A 57 MET CE :methyl -152:sc= -0.0997 (180deg=-1.57) USER MOD Single : A 60 MET CE :methyl -179:sc= -0.175 (180deg=-0.177) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= -0.0976 (180deg=-0.115) USER MOD Single : A 68 GLN :FLIP amide:sc= -5.07! C(o=-6.9!,f=-5.1!) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= -0.421 (180deg=-0.67) USER MOD Single : A 71 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.4!) USER MOD Single : A 73 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-2.6) USER MOD Single : A 75 MET CE :methyl -147:sc= -0.0932 (180deg=-2.13!) USER MOD Single : A 81 MET CE :methyl -143:sc= -6.42! (180deg=-11.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 80:sc= -3.43! USER MOD Single : A 95 GLN : amide:sc= -0.0134 K(o=-0.013,f=-0.76) USER MOD Single : A 96 GLN : amide:sc= -0.0977 X(o=-0.098,f=-0.056) USER MOD Single : A 101 TYR OH : rot 30:sc= -1.18 USER MOD Single : A 104 LYS NZ :NH3+ -158:sc= -0.07 (180deg=-0.858) USER MOD Single : A 120 SER OG : rot 142:sc= 0.347 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot 136:sc= -0.661 USER MOD Single : A 123 GLN : amide:sc= -0.513 K(o=-0.51,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.163 -0.931 -3.090 1.00 70.21 N ATOM 2 CA MET A 1 1.050 -1.090 -3.884 1.00 30.42 C ATOM 3 C MET A 1 1.553 -2.529 -3.825 1.00 63.10 C ATOM 4 O MET A 1 2.178 -3.016 -4.767 1.00 52.11 O ATOM 5 CB MET A 1 2.138 -0.136 -3.388 1.00 24.42 C ATOM 6 CG MET A 1 3.498 -0.385 -4.019 1.00 65.24 C ATOM 7 SD MET A 1 4.364 1.143 -4.429 1.00 71.52 S ATOM 8 CE MET A 1 3.535 1.604 -5.948 1.00 51.23 C ATOM 0 H1 MET A 1 -0.705 -0.117 -3.443 1.00 70.21 H new ATOM 0 H2 MET A 1 -0.742 -1.791 -3.165 1.00 70.21 H new ATOM 0 H3 MET A 1 0.092 -0.771 -2.095 1.00 70.21 H new ATOM 0 HA MET A 1 0.811 -0.850 -4.920 1.00 30.42 H new ATOM 0 HB2 MET A 1 1.833 0.890 -3.595 1.00 24.42 H new ATOM 0 HB3 MET A 1 2.226 -0.230 -2.306 1.00 24.42 H new ATOM 0 HG2 MET A 1 4.110 -0.972 -3.334 1.00 65.24 H new ATOM 0 HG3 MET A 1 3.371 -0.980 -4.923 1.00 65.24 H new ATOM 0 HE1 MET A 1 3.960 2.533 -6.327 1.00 51.23 H new ATOM 0 HE2 MET A 1 3.668 0.815 -6.689 1.00 51.23 H new ATOM 0 HE3 MET A 1 2.472 1.744 -5.754 1.00 51.23 H new ATOM 18 N GLN A 2 1.277 -3.203 -2.713 1.00 43.01 N ATOM 19 CA GLN A 2 1.704 -4.586 -2.533 1.00 13.43 C ATOM 20 C GLN A 2 3.208 -4.724 -2.745 1.00 13.53 C ATOM 21 O GLN A 2 3.662 -5.590 -3.492 1.00 42.11 O ATOM 22 CB GLN A 2 0.954 -5.503 -3.500 1.00 61.13 C ATOM 23 CG GLN A 2 -0.551 -5.290 -3.498 1.00 31.33 C ATOM 24 CD GLN A 2 -0.996 -4.253 -4.510 1.00 4.23 C ATOM 25 OE1 GLN A 2 -0.331 -4.032 -5.523 1.00 32.43 O ATOM 26 NE2 GLN A 2 -2.125 -3.609 -4.240 1.00 53.24 N ATOM 0 H GLN A 2 0.760 -2.815 -1.924 1.00 43.01 H new ATOM 0 HA GLN A 2 1.472 -4.881 -1.510 1.00 13.43 H new ATOM 0 HB2 GLN A 2 1.334 -5.342 -4.509 1.00 61.13 H new ATOM 0 HB3 GLN A 2 1.166 -6.541 -3.242 1.00 61.13 H new ATOM 0 HG2 GLN A 2 -1.048 -6.236 -3.711 1.00 31.33 H new ATOM 0 HG3 GLN A 2 -0.869 -4.980 -2.502 1.00 31.33 H new ATOM 0 HE21 GLN A 2 -2.644 -3.824 -3.389 1.00 53.24 H new ATOM 0 HE22 GLN A 2 -2.474 -2.899 -4.884 1.00 53.24 H new ATOM 35 N ARG A 3 3.975 -3.864 -2.083 1.00 11.34 N ATOM 36 CA ARG A 3 5.428 -3.889 -2.200 1.00 51.20 C ATOM 37 C ARG A 3 5.982 -5.252 -1.797 1.00 24.01 C ATOM 38 O ARG A 3 7.102 -5.610 -2.160 1.00 21.13 O ATOM 39 CB ARG A 3 6.050 -2.796 -1.330 1.00 2.54 C ATOM 40 CG ARG A 3 5.559 -2.809 0.109 1.00 62.12 C ATOM 41 CD ARG A 3 6.437 -3.685 0.989 1.00 43.01 C ATOM 42 NE ARG A 3 7.826 -3.233 0.998 1.00 21.44 N ATOM 43 CZ ARG A 3 8.269 -2.234 1.754 1.00 72.34 C ATOM 44 NH1 ARG A 3 7.436 -1.586 2.557 1.00 61.44 N ATOM 45 NH2 ARG A 3 9.547 -1.882 1.707 1.00 42.20 N ATOM 0 H ARG A 3 3.614 -3.141 -1.460 1.00 11.34 H new ATOM 0 HA ARG A 3 5.687 -3.705 -3.243 1.00 51.20 H new ATOM 0 HB2 ARG A 3 7.134 -2.912 -1.336 1.00 2.54 H new ATOM 0 HB3 ARG A 3 5.831 -1.824 -1.771 1.00 2.54 H new ATOM 0 HG2 ARG A 3 5.549 -1.792 0.501 1.00 62.12 H new ATOM 0 HG3 ARG A 3 4.532 -3.173 0.141 1.00 62.12 H new ATOM 0 HD2 ARG A 3 6.048 -3.682 2.007 1.00 43.01 H new ATOM 0 HD3 ARG A 3 6.393 -4.715 0.634 1.00 43.01 H new ATOM 0 HE ARG A 3 8.492 -3.710 0.391 1.00 21.44 H new ATOM 0 HH11 ARG A 3 6.453 -1.854 2.595 1.00 61.44 H new ATOM 0 HH12 ARG A 3 7.779 -0.820 3.136 1.00 61.44 H new ATOM 0 HH21 ARG A 3 10.190 -2.378 1.090 1.00 42.20 H new ATOM 0 HH22 ARG A 3 9.886 -1.115 2.288 1.00 42.20 H new ATOM 59 N GLY A 4 5.190 -6.008 -1.043 1.00 60.42 N ATOM 60 CA GLY A 4 5.619 -7.323 -0.603 1.00 0.14 C ATOM 61 C GLY A 4 4.457 -8.203 -0.187 1.00 51.01 C ATOM 62 O GLY A 4 3.955 -8.092 0.932 1.00 54.24 O ATOM 0 H GLY A 4 4.259 -5.734 -0.729 1.00 60.42 H new ATOM 0 HA2 GLY A 4 6.170 -7.810 -1.408 1.00 0.14 H new ATOM 0 HA3 GLY A 4 6.308 -7.216 0.235 1.00 0.14 H new ATOM 66 N ILE A 5 4.028 -9.078 -1.090 1.00 34.42 N ATOM 67 CA ILE A 5 2.917 -9.980 -0.811 1.00 31.24 C ATOM 68 C ILE A 5 3.378 -11.186 0.001 1.00 43.10 C ATOM 69 O ILE A 5 4.456 -11.732 -0.236 1.00 0.32 O ATOM 70 CB ILE A 5 2.252 -10.474 -2.109 1.00 43.44 C ATOM 71 CG1 ILE A 5 1.592 -9.306 -2.845 1.00 73.25 C ATOM 72 CG2 ILE A 5 1.232 -11.559 -1.803 1.00 34.33 C ATOM 73 CD1 ILE A 5 1.396 -9.557 -4.324 1.00 63.33 C ATOM 0 H ILE A 5 4.432 -9.182 -2.021 1.00 34.42 H new ATOM 0 HA ILE A 5 2.188 -9.412 -0.233 1.00 31.24 H new ATOM 0 HB ILE A 5 3.021 -10.899 -2.755 1.00 43.44 H new ATOM 0 HG12 ILE A 5 0.624 -9.100 -2.388 1.00 73.25 H new ATOM 0 HG13 ILE A 5 2.203 -8.413 -2.714 1.00 73.25 H new ATOM 0 HG21 ILE A 5 0.771 -11.897 -2.731 1.00 34.33 H new ATOM 0 HG22 ILE A 5 1.729 -12.399 -1.317 1.00 34.33 H new ATOM 0 HG23 ILE A 5 0.464 -11.160 -1.141 1.00 34.33 H new ATOM 0 HD11 ILE A 5 0.923 -8.688 -4.781 1.00 63.33 H new ATOM 0 HD12 ILE A 5 2.363 -9.734 -4.794 1.00 63.33 H new ATOM 0 HD13 ILE A 5 0.760 -10.431 -4.464 1.00 63.33 H new ATOM 85 N VAL A 6 2.554 -11.598 0.959 1.00 71.22 N ATOM 86 CA VAL A 6 2.875 -12.742 1.804 1.00 4.33 C ATOM 87 C VAL A 6 1.776 -13.796 1.745 1.00 54.25 C ATOM 88 O VAL A 6 0.596 -13.486 1.909 1.00 74.01 O ATOM 89 CB VAL A 6 3.084 -12.315 3.270 1.00 74.34 C ATOM 90 CG1 VAL A 6 3.718 -13.443 4.069 1.00 64.00 C ATOM 91 CG2 VAL A 6 3.933 -11.056 3.342 1.00 43.41 C ATOM 0 H VAL A 6 1.659 -11.156 1.169 1.00 71.22 H new ATOM 0 HA VAL A 6 3.802 -13.168 1.421 1.00 4.33 H new ATOM 0 HB VAL A 6 2.111 -12.094 3.709 1.00 74.34 H new ATOM 0 HG11 VAL A 6 3.858 -13.123 5.102 1.00 64.00 H new ATOM 0 HG12 VAL A 6 3.067 -14.317 4.045 1.00 64.00 H new ATOM 0 HG13 VAL A 6 4.684 -13.698 3.634 1.00 64.00 H new ATOM 0 HG21 VAL A 6 4.070 -10.769 4.385 1.00 43.41 H new ATOM 0 HG22 VAL A 6 4.905 -11.246 2.887 1.00 43.41 H new ATOM 0 HG23 VAL A 6 3.433 -10.249 2.806 1.00 43.41 H new ATOM 101 N TRP A 7 2.170 -15.042 1.509 1.00 44.41 N ATOM 102 CA TRP A 7 1.217 -16.143 1.428 1.00 44.21 C ATOM 103 C TRP A 7 1.395 -17.104 2.598 1.00 3.21 C ATOM 104 O TRP A 7 2.415 -17.076 3.288 1.00 52.24 O ATOM 105 CB TRP A 7 1.385 -16.893 0.106 1.00 60.24 C ATOM 106 CG TRP A 7 0.964 -16.092 -1.089 1.00 64.33 C ATOM 107 CD1 TRP A 7 0.396 -14.851 -1.085 1.00 15.31 C ATOM 108 CD2 TRP A 7 1.078 -16.479 -2.463 1.00 51.22 C ATOM 109 NE1 TRP A 7 0.148 -14.442 -2.373 1.00 65.24 N ATOM 110 CE2 TRP A 7 0.559 -15.423 -3.237 1.00 51.44 C ATOM 111 CE3 TRP A 7 1.569 -17.613 -3.115 1.00 23.11 C ATOM 112 CZ2 TRP A 7 0.517 -15.470 -4.628 1.00 63.23 C ATOM 113 CZ3 TRP A 7 1.527 -17.659 -4.495 1.00 50.13 C ATOM 114 CH2 TRP A 7 1.005 -16.593 -5.240 1.00 51.00 C ATOM 0 H TRP A 7 3.143 -15.315 1.370 1.00 44.41 H new ATOM 0 HA TRP A 7 0.211 -15.725 1.475 1.00 44.21 H new ATOM 0 HB2 TRP A 7 2.430 -17.182 -0.009 1.00 60.24 H new ATOM 0 HB3 TRP A 7 0.802 -17.813 0.142 1.00 60.24 H new ATOM 0 HD1 TRP A 7 0.174 -14.275 -0.199 1.00 15.31 H new ATOM 0 HE1 TRP A 7 -0.273 -13.553 -2.642 1.00 65.24 H new ATOM 0 HE3 TRP A 7 1.974 -18.439 -2.550 1.00 23.11 H new ATOM 0 HZ2 TRP A 7 0.114 -14.650 -5.203 1.00 63.23 H new ATOM 0 HZ3 TRP A 7 1.903 -18.532 -5.009 1.00 50.13 H new ATOM 0 HH2 TRP A 7 0.987 -16.659 -6.318 1.00 51.00 H new ATOM 125 N VAL A 8 0.397 -17.954 2.817 1.00 23.12 N ATOM 126 CA VAL A 8 0.445 -18.925 3.904 1.00 72.12 C ATOM 127 C VAL A 8 -0.202 -20.243 3.492 1.00 41.20 C ATOM 128 O VAL A 8 -1.205 -20.258 2.779 1.00 74.31 O ATOM 129 CB VAL A 8 -0.261 -18.391 5.165 1.00 61.54 C ATOM 130 CG1 VAL A 8 -0.401 -19.492 6.205 1.00 62.42 C ATOM 131 CG2 VAL A 8 0.496 -17.201 5.735 1.00 74.15 C ATOM 0 H VAL A 8 -0.454 -17.990 2.256 1.00 23.12 H new ATOM 0 HA VAL A 8 1.497 -19.095 4.131 1.00 72.12 H new ATOM 0 HB VAL A 8 -1.261 -18.057 4.887 1.00 61.54 H new ATOM 0 HG11 VAL A 8 -0.902 -19.096 7.089 1.00 62.42 H new ATOM 0 HG12 VAL A 8 -0.989 -20.311 5.791 1.00 62.42 H new ATOM 0 HG13 VAL A 8 0.587 -19.859 6.482 1.00 62.42 H new ATOM 0 HG21 VAL A 8 -0.016 -16.836 6.625 1.00 74.15 H new ATOM 0 HG22 VAL A 8 1.509 -17.506 5.999 1.00 74.15 H new ATOM 0 HG23 VAL A 8 0.539 -16.406 4.990 1.00 74.15 H new ATOM 141 N VAL A 9 0.379 -21.349 3.946 1.00 5.53 N ATOM 142 CA VAL A 9 -0.141 -22.673 3.627 1.00 41.52 C ATOM 143 C VAL A 9 -0.264 -23.532 4.880 1.00 45.00 C ATOM 144 O VAL A 9 0.566 -24.407 5.129 1.00 41.13 O ATOM 145 CB VAL A 9 0.757 -23.397 2.606 1.00 20.24 C ATOM 146 CG1 VAL A 9 2.190 -23.467 3.111 1.00 43.11 C ATOM 147 CG2 VAL A 9 0.217 -24.789 2.316 1.00 31.43 C ATOM 0 H VAL A 9 1.211 -21.354 4.536 1.00 5.53 H new ATOM 0 HA VAL A 9 -1.130 -22.529 3.192 1.00 41.52 H new ATOM 0 HB VAL A 9 0.752 -22.829 1.676 1.00 20.24 H new ATOM 0 HG11 VAL A 9 2.810 -23.982 2.377 1.00 43.11 H new ATOM 0 HG12 VAL A 9 2.572 -22.458 3.264 1.00 43.11 H new ATOM 0 HG13 VAL A 9 2.217 -24.012 4.055 1.00 43.11 H new ATOM 0 HG21 VAL A 9 0.863 -25.287 1.593 1.00 31.43 H new ATOM 0 HG22 VAL A 9 0.191 -25.369 3.239 1.00 31.43 H new ATOM 0 HG23 VAL A 9 -0.791 -24.711 1.908 1.00 31.43 H new ATOM 157 N ASP A 10 -1.304 -23.277 5.666 1.00 62.12 N ATOM 158 CA ASP A 10 -1.537 -24.029 6.894 1.00 42.44 C ATOM 159 C ASP A 10 -2.859 -24.785 6.825 1.00 75.53 C ATOM 160 O ASP A 10 -3.652 -24.587 5.904 1.00 73.20 O ATOM 161 CB ASP A 10 -1.535 -23.089 8.100 1.00 0.32 C ATOM 162 CG ASP A 10 -2.713 -22.134 8.092 1.00 21.45 C ATOM 163 OD1 ASP A 10 -2.795 -21.300 7.167 1.00 44.40 O ATOM 164 OD2 ASP A 10 -3.554 -22.223 9.011 1.00 4.24 O ATOM 0 H ASP A 10 -1.999 -22.555 5.475 1.00 62.12 H new ATOM 0 HA ASP A 10 -0.730 -24.754 7.006 1.00 42.44 H new ATOM 0 HB2 ASP A 10 -1.555 -23.679 9.017 1.00 0.32 H new ATOM 0 HB3 ASP A 10 -0.607 -22.517 8.109 1.00 0.32 H new ATOM 169 N ASP A 11 -3.090 -25.654 7.803 1.00 11.55 N ATOM 170 CA ASP A 11 -4.317 -26.441 7.854 1.00 3.42 C ATOM 171 C ASP A 11 -5.108 -26.132 9.121 1.00 14.11 C ATOM 172 O ASP A 11 -5.867 -26.969 9.611 1.00 62.25 O ATOM 173 CB ASP A 11 -3.993 -27.934 7.792 1.00 64.04 C ATOM 174 CG ASP A 11 -4.849 -28.670 6.780 1.00 22.31 C ATOM 175 OD1 ASP A 11 -4.740 -28.363 5.574 1.00 1.13 O ATOM 176 OD2 ASP A 11 -5.627 -29.555 7.194 1.00 50.41 O ATOM 0 H ASP A 11 -2.443 -25.831 8.572 1.00 11.55 H new ATOM 0 HA ASP A 11 -4.927 -26.173 6.992 1.00 3.42 H new ATOM 0 HB2 ASP A 11 -2.941 -28.064 7.537 1.00 64.04 H new ATOM 0 HB3 ASP A 11 -4.140 -28.376 8.778 1.00 64.04 H new ATOM 181 N ASP A 12 -4.926 -24.926 9.647 1.00 1.04 N ATOM 182 CA ASP A 12 -5.623 -24.506 10.858 1.00 60.43 C ATOM 183 C ASP A 12 -6.355 -23.187 10.633 1.00 34.23 C ATOM 184 O ASP A 12 -5.996 -22.409 9.750 1.00 11.30 O ATOM 185 CB ASP A 12 -4.636 -24.365 12.017 1.00 21.25 C ATOM 186 CG ASP A 12 -4.968 -25.285 13.176 1.00 54.20 C ATOM 187 OD1 ASP A 12 -6.084 -25.168 13.725 1.00 31.13 O ATOM 188 OD2 ASP A 12 -4.113 -26.122 13.533 1.00 54.13 O ATOM 0 H ASP A 12 -4.302 -24.222 9.254 1.00 1.04 H new ATOM 0 HA ASP A 12 -6.358 -25.271 11.109 1.00 60.43 H new ATOM 0 HB2 ASP A 12 -3.629 -24.583 11.661 1.00 21.25 H new ATOM 0 HB3 ASP A 12 -4.635 -23.332 12.366 1.00 21.25 H new ATOM 193 N SER A 13 -7.385 -22.943 11.438 1.00 23.22 N ATOM 194 CA SER A 13 -8.171 -21.720 11.324 1.00 30.53 C ATOM 195 C SER A 13 -7.415 -20.532 11.910 1.00 11.15 C ATOM 196 O SER A 13 -7.199 -19.525 11.236 1.00 71.45 O ATOM 197 CB SER A 13 -9.515 -21.885 12.036 1.00 74.53 C ATOM 198 OG SER A 13 -9.750 -20.818 12.937 1.00 3.43 O ATOM 0 H SER A 13 -7.694 -23.576 12.176 1.00 23.22 H new ATOM 0 HA SER A 13 -8.349 -21.529 10.266 1.00 30.53 H new ATOM 0 HB2 SER A 13 -10.317 -21.926 11.299 1.00 74.53 H new ATOM 0 HB3 SER A 13 -9.530 -22.831 12.577 1.00 74.53 H new ATOM 0 HG SER A 13 -10.616 -20.947 13.378 1.00 3.43 H new ATOM 204 N SER A 14 -7.016 -20.657 13.172 1.00 4.31 N ATOM 205 CA SER A 14 -6.287 -19.592 13.852 1.00 70.10 C ATOM 206 C SER A 14 -4.923 -19.368 13.205 1.00 34.13 C ATOM 207 O SER A 14 -4.521 -18.231 12.958 1.00 10.11 O ATOM 208 CB SER A 14 -6.112 -19.931 15.334 1.00 40.24 C ATOM 209 OG SER A 14 -7.160 -20.766 15.793 1.00 32.41 O ATOM 0 H SER A 14 -7.185 -21.484 13.744 1.00 4.31 H new ATOM 0 HA SER A 14 -6.867 -18.674 13.763 1.00 70.10 H new ATOM 0 HB2 SER A 14 -5.154 -20.428 15.486 1.00 40.24 H new ATOM 0 HB3 SER A 14 -6.091 -19.012 15.920 1.00 40.24 H new ATOM 0 HG SER A 14 -7.024 -20.970 16.742 1.00 32.41 H new ATOM 215 N ILE A 15 -4.218 -20.461 12.934 1.00 3.22 N ATOM 216 CA ILE A 15 -2.900 -20.385 12.316 1.00 51.45 C ATOM 217 C ILE A 15 -2.916 -19.463 11.101 1.00 4.51 C ATOM 218 O ILE A 15 -2.058 -18.591 10.960 1.00 10.51 O ATOM 219 CB ILE A 15 -2.400 -21.776 11.884 1.00 43.45 C ATOM 220 CG1 ILE A 15 -2.198 -22.672 13.107 1.00 2.32 C ATOM 221 CG2 ILE A 15 -1.106 -21.651 11.092 1.00 13.03 C ATOM 222 CD1 ILE A 15 -1.190 -22.127 14.095 1.00 33.03 C ATOM 0 H ILE A 15 -4.537 -21.409 13.133 1.00 3.22 H new ATOM 0 HA ILE A 15 -2.221 -19.981 13.067 1.00 51.45 H new ATOM 0 HB ILE A 15 -3.153 -22.234 11.243 1.00 43.45 H new ATOM 0 HG12 ILE A 15 -3.155 -22.805 13.612 1.00 2.32 H new ATOM 0 HG13 ILE A 15 -1.873 -23.658 12.775 1.00 2.32 H new ATOM 0 HG21 ILE A 15 -0.765 -22.642 10.794 1.00 13.03 H new ATOM 0 HG22 ILE A 15 -1.281 -21.045 10.203 1.00 13.03 H new ATOM 0 HG23 ILE A 15 -0.345 -21.177 11.711 1.00 13.03 H new ATOM 0 HD11 ILE A 15 -1.098 -22.813 14.937 1.00 33.03 H new ATOM 0 HD12 ILE A 15 -0.222 -22.020 13.606 1.00 33.03 H new ATOM 0 HD13 ILE A 15 -1.523 -21.154 14.456 1.00 33.03 H new ATOM 234 N ARG A 16 -3.897 -19.660 10.227 1.00 32.33 N ATOM 235 CA ARG A 16 -4.025 -18.846 9.025 1.00 71.13 C ATOM 236 C ARG A 16 -4.604 -17.474 9.356 1.00 14.12 C ATOM 237 O ARG A 16 -4.255 -16.474 8.729 1.00 0.11 O ATOM 238 CB ARG A 16 -4.912 -19.552 7.997 1.00 15.55 C ATOM 239 CG ARG A 16 -6.360 -19.090 8.024 1.00 53.41 C ATOM 240 CD ARG A 16 -7.249 -19.993 7.183 1.00 22.25 C ATOM 241 NE ARG A 16 -8.148 -19.230 6.323 1.00 53.51 N ATOM 242 CZ ARG A 16 -8.917 -19.781 5.390 1.00 42.41 C ATOM 243 NH1 ARG A 16 -8.895 -21.092 5.199 1.00 74.35 N ATOM 244 NH2 ARG A 16 -9.709 -19.019 4.646 1.00 12.05 N ATOM 0 H ARG A 16 -4.615 -20.377 10.329 1.00 32.33 H new ATOM 0 HA ARG A 16 -3.030 -18.708 8.602 1.00 71.13 H new ATOM 0 HB2 ARG A 16 -4.504 -19.383 7.000 1.00 15.55 H new ATOM 0 HB3 ARG A 16 -4.879 -20.626 8.177 1.00 15.55 H new ATOM 0 HG2 ARG A 16 -6.720 -19.079 9.053 1.00 53.41 H new ATOM 0 HG3 ARG A 16 -6.424 -18.067 7.653 1.00 53.41 H new ATOM 0 HD2 ARG A 16 -6.627 -20.644 6.569 1.00 22.25 H new ATOM 0 HD3 ARG A 16 -7.835 -20.637 7.839 1.00 22.25 H new ATOM 0 HE ARG A 16 -8.188 -18.218 6.445 1.00 53.51 H new ATOM 0 HH11 ARG A 16 -8.287 -21.680 5.769 1.00 74.35 H new ATOM 0 HH12 ARG A 16 -9.486 -21.513 4.482 1.00 74.35 H new ATOM 0 HH21 ARG A 16 -9.728 -18.009 4.790 1.00 12.05 H new ATOM 0 HH22 ARG A 16 -10.299 -19.443 3.930 1.00 12.05 H new ATOM 258 N TRP A 17 -5.491 -17.435 10.344 1.00 21.12 N ATOM 259 CA TRP A 17 -6.119 -16.186 10.758 1.00 11.35 C ATOM 260 C TRP A 17 -5.070 -15.157 11.165 1.00 25.45 C ATOM 261 O TRP A 17 -4.919 -14.120 10.520 1.00 73.25 O ATOM 262 CB TRP A 17 -7.083 -16.436 11.920 1.00 41.14 C ATOM 263 CG TRP A 17 -7.420 -15.195 12.690 1.00 72.15 C ATOM 264 CD1 TRP A 17 -8.316 -14.227 12.333 1.00 24.51 C ATOM 265 CD2 TRP A 17 -6.865 -14.788 13.945 1.00 32.20 C ATOM 266 NE1 TRP A 17 -8.351 -13.243 13.292 1.00 63.45 N ATOM 267 CE2 TRP A 17 -7.471 -13.564 14.291 1.00 22.31 C ATOM 268 CE3 TRP A 17 -5.918 -15.339 14.811 1.00 25.45 C ATOM 269 CZ2 TRP A 17 -7.157 -12.885 15.465 1.00 11.30 C ATOM 270 CZ3 TRP A 17 -5.607 -14.663 15.976 1.00 20.41 C ATOM 271 CH2 TRP A 17 -6.226 -13.447 16.295 1.00 64.22 C ATOM 0 H TRP A 17 -5.791 -18.254 10.873 1.00 21.12 H new ATOM 0 HA TRP A 17 -6.678 -15.791 9.909 1.00 11.35 H new ATOM 0 HB2 TRP A 17 -8.002 -16.875 11.532 1.00 41.14 H new ATOM 0 HB3 TRP A 17 -6.642 -17.167 12.598 1.00 41.14 H new ATOM 0 HD1 TRP A 17 -8.909 -14.234 11.430 1.00 24.51 H new ATOM 0 HE1 TRP A 17 -8.937 -12.409 13.264 1.00 63.45 H new ATOM 0 HE3 TRP A 17 -5.437 -16.277 14.575 1.00 25.45 H new ATOM 0 HZ2 TRP A 17 -7.632 -11.947 15.712 1.00 11.30 H new ATOM 0 HZ3 TRP A 17 -4.875 -15.079 16.652 1.00 20.41 H new ATOM 0 HH2 TRP A 17 -5.963 -12.944 17.214 1.00 64.22 H new ATOM 282 N VAL A 18 -4.345 -15.451 12.240 1.00 22.24 N ATOM 283 CA VAL A 18 -3.308 -14.552 12.732 1.00 22.24 C ATOM 284 C VAL A 18 -2.363 -14.137 11.611 1.00 42.15 C ATOM 285 O VAL A 18 -1.907 -12.994 11.559 1.00 5.12 O ATOM 286 CB VAL A 18 -2.490 -15.204 13.863 1.00 62.21 C ATOM 287 CG1 VAL A 18 -2.229 -16.671 13.556 1.00 43.12 C ATOM 288 CG2 VAL A 18 -1.183 -14.455 14.075 1.00 12.41 C ATOM 0 H VAL A 18 -4.457 -16.305 12.787 1.00 22.24 H new ATOM 0 HA VAL A 18 -3.814 -13.669 13.122 1.00 22.24 H new ATOM 0 HB VAL A 18 -3.069 -15.148 14.785 1.00 62.21 H new ATOM 0 HG11 VAL A 18 -1.650 -17.115 14.366 1.00 43.12 H new ATOM 0 HG12 VAL A 18 -3.179 -17.197 13.458 1.00 43.12 H new ATOM 0 HG13 VAL A 18 -1.671 -16.754 12.623 1.00 43.12 H new ATOM 0 HG21 VAL A 18 -0.618 -14.929 14.877 1.00 12.41 H new ATOM 0 HG22 VAL A 18 -0.597 -14.478 13.156 1.00 12.41 H new ATOM 0 HG23 VAL A 18 -1.396 -13.420 14.344 1.00 12.41 H new ATOM 298 N LEU A 19 -2.073 -15.072 10.713 1.00 43.14 N ATOM 299 CA LEU A 19 -1.182 -14.804 9.589 1.00 4.42 C ATOM 300 C LEU A 19 -1.873 -13.940 8.540 1.00 54.25 C ATOM 301 O LEU A 19 -1.217 -13.271 7.742 1.00 21.11 O ATOM 302 CB LEU A 19 -0.714 -16.117 8.958 1.00 14.44 C ATOM 303 CG LEU A 19 0.209 -16.982 9.817 1.00 75.54 C ATOM 304 CD1 LEU A 19 0.265 -18.402 9.274 1.00 30.25 C ATOM 305 CD2 LEU A 19 1.603 -16.377 9.878 1.00 63.13 C ATOM 0 H LEU A 19 -2.442 -16.023 10.741 1.00 43.14 H new ATOM 0 HA LEU A 19 -0.316 -14.261 9.966 1.00 4.42 H new ATOM 0 HB2 LEU A 19 -1.594 -16.706 8.698 1.00 14.44 H new ATOM 0 HB3 LEU A 19 -0.199 -15.886 8.026 1.00 14.44 H new ATOM 0 HG LEU A 19 -0.194 -17.017 10.829 1.00 75.54 H new ATOM 0 HD11 LEU A 19 0.926 -19.004 9.897 1.00 30.25 H new ATOM 0 HD12 LEU A 19 -0.735 -18.835 9.283 1.00 30.25 H new ATOM 0 HD13 LEU A 19 0.644 -18.386 8.252 1.00 30.25 H new ATOM 0 HD21 LEU A 19 2.246 -17.006 10.494 1.00 63.13 H new ATOM 0 HD22 LEU A 19 2.016 -16.312 8.871 1.00 63.13 H new ATOM 0 HD23 LEU A 19 1.548 -15.379 10.313 1.00 63.13 H new ATOM 317 N GLU A 20 -3.203 -13.958 8.548 1.00 63.10 N ATOM 318 CA GLU A 20 -3.983 -13.175 7.597 1.00 62.01 C ATOM 319 C GLU A 20 -4.100 -11.724 8.054 1.00 44.33 C ATOM 320 O GLU A 20 -3.717 -10.802 7.332 1.00 34.23 O ATOM 321 CB GLU A 20 -5.377 -13.781 7.426 1.00 73.12 C ATOM 322 CG GLU A 20 -5.850 -13.823 5.982 1.00 2.03 C ATOM 323 CD GLU A 20 -6.858 -12.735 5.667 1.00 43.14 C ATOM 324 OE1 GLU A 20 -6.706 -11.614 6.195 1.00 14.21 O ATOM 325 OE2 GLU A 20 -7.798 -13.005 4.890 1.00 22.21 O ATOM 0 H GLU A 20 -3.762 -14.506 9.202 1.00 63.10 H new ATOM 0 HA GLU A 20 -3.466 -13.195 6.638 1.00 62.01 H new ATOM 0 HB2 GLU A 20 -5.375 -14.794 7.829 1.00 73.12 H new ATOM 0 HB3 GLU A 20 -6.089 -13.205 8.016 1.00 73.12 H new ATOM 0 HG2 GLU A 20 -4.991 -13.720 5.319 1.00 2.03 H new ATOM 0 HG3 GLU A 20 -6.296 -14.796 5.778 1.00 2.03 H new ATOM 332 N ARG A 21 -4.631 -11.529 9.256 1.00 1.12 N ATOM 333 CA ARG A 21 -4.800 -10.191 9.809 1.00 11.50 C ATOM 334 C ARG A 21 -3.459 -9.469 9.905 1.00 13.44 C ATOM 335 O ARG A 21 -3.380 -8.256 9.708 1.00 32.53 O ATOM 336 CB ARG A 21 -5.452 -10.265 11.191 1.00 22.11 C ATOM 337 CG ARG A 21 -4.819 -11.300 12.108 1.00 54.34 C ATOM 338 CD ARG A 21 -4.936 -10.895 13.569 1.00 44.33 C ATOM 339 NE ARG A 21 -4.047 -9.784 13.901 1.00 32.32 N ATOM 340 CZ ARG A 21 -4.202 -9.015 14.973 1.00 25.22 C ATOM 341 NH1 ARG A 21 -5.204 -9.235 15.812 1.00 33.32 N ATOM 342 NH2 ARG A 21 -3.351 -8.024 15.208 1.00 54.20 N ATOM 0 H ARG A 21 -4.952 -12.281 9.866 1.00 1.12 H new ATOM 0 HA ARG A 21 -5.449 -9.628 9.139 1.00 11.50 H new ATOM 0 HB2 ARG A 21 -5.391 -9.286 11.665 1.00 22.11 H new ATOM 0 HB3 ARG A 21 -6.511 -10.496 11.072 1.00 22.11 H new ATOM 0 HG2 ARG A 21 -5.302 -12.265 11.957 1.00 54.34 H new ATOM 0 HG3 ARG A 21 -3.768 -11.425 11.847 1.00 54.34 H new ATOM 0 HD2 ARG A 21 -5.966 -10.612 13.786 1.00 44.33 H new ATOM 0 HD3 ARG A 21 -4.700 -11.750 14.202 1.00 44.33 H new ATOM 0 HE ARG A 21 -3.265 -9.588 13.276 1.00 32.32 H new ATOM 0 HH11 ARG A 21 -5.859 -9.997 15.636 1.00 33.32 H new ATOM 0 HH12 ARG A 21 -5.320 -8.643 16.634 1.00 33.32 H new ATOM 0 HH21 ARG A 21 -2.578 -7.853 14.565 1.00 54.20 H new ATOM 0 HH22 ARG A 21 -3.470 -7.434 16.031 1.00 54.20 H new ATOM 356 N ALA A 22 -2.408 -10.222 10.211 1.00 60.25 N ATOM 357 CA ALA A 22 -1.071 -9.655 10.332 1.00 42.24 C ATOM 358 C ALA A 22 -0.712 -8.828 9.102 1.00 42.03 C ATOM 359 O ALA A 22 -0.124 -7.751 9.215 1.00 74.15 O ATOM 360 CB ALA A 22 -0.046 -10.759 10.545 1.00 32.20 C ATOM 0 H ALA A 22 -2.457 -11.227 10.380 1.00 60.25 H new ATOM 0 HA ALA A 22 -1.061 -8.993 11.198 1.00 42.24 H new ATOM 0 HB1 ALA A 22 0.948 -10.320 10.634 1.00 32.20 H new ATOM 0 HB2 ALA A 22 -0.284 -11.306 11.458 1.00 32.20 H new ATOM 0 HB3 ALA A 22 -0.066 -11.443 9.697 1.00 32.20 H new ATOM 366 N LEU A 23 -1.067 -9.338 7.928 1.00 53.34 N ATOM 367 CA LEU A 23 -0.782 -8.646 6.675 1.00 21.22 C ATOM 368 C LEU A 23 -1.860 -7.613 6.366 1.00 51.31 C ATOM 369 O LEU A 23 -1.569 -6.531 5.855 1.00 32.44 O ATOM 370 CB LEU A 23 -0.678 -9.651 5.527 1.00 74.41 C ATOM 371 CG LEU A 23 0.055 -10.956 5.841 1.00 75.21 C ATOM 372 CD1 LEU A 23 -0.228 -11.998 4.770 1.00 71.30 C ATOM 373 CD2 LEU A 23 1.551 -10.710 5.967 1.00 70.32 C ATOM 0 H LEU A 23 -1.553 -10.228 7.817 1.00 53.34 H new ATOM 0 HA LEU A 23 0.171 -8.128 6.783 1.00 21.22 H new ATOM 0 HB2 LEU A 23 -1.686 -9.895 5.192 1.00 74.41 H new ATOM 0 HB3 LEU A 23 -0.173 -9.166 4.691 1.00 74.41 H new ATOM 0 HG LEU A 23 -0.312 -11.336 6.794 1.00 75.21 H new ATOM 0 HD11 LEU A 23 0.302 -12.920 5.010 1.00 71.30 H new ATOM 0 HD12 LEU A 23 -1.299 -12.195 4.728 1.00 71.30 H new ATOM 0 HD13 LEU A 23 0.110 -11.627 3.803 1.00 71.30 H new ATOM 0 HD21 LEU A 23 2.057 -11.649 6.191 1.00 70.32 H new ATOM 0 HD22 LEU A 23 1.934 -10.306 5.030 1.00 70.32 H new ATOM 0 HD23 LEU A 23 1.736 -9.998 6.771 1.00 70.32 H new ATOM 385 N ALA A 24 -3.106 -7.952 6.681 1.00 62.44 N ATOM 386 CA ALA A 24 -4.227 -7.052 6.440 1.00 20.43 C ATOM 387 C ALA A 24 -3.950 -5.666 7.010 1.00 3.45 C ATOM 388 O ALA A 24 -4.136 -4.656 6.332 1.00 25.31 O ATOM 389 CB ALA A 24 -5.502 -7.626 7.040 1.00 73.34 C ATOM 0 H ALA A 24 -3.364 -8.844 7.104 1.00 62.44 H new ATOM 0 HA ALA A 24 -4.357 -6.954 5.362 1.00 20.43 H new ATOM 0 HB1 ALA A 24 -6.331 -6.944 6.853 1.00 73.34 H new ATOM 0 HB2 ALA A 24 -5.716 -8.592 6.583 1.00 73.34 H new ATOM 0 HB3 ALA A 24 -5.373 -7.754 8.115 1.00 73.34 H new ATOM 395 N GLY A 25 -3.504 -5.624 8.263 1.00 52.44 N ATOM 396 CA GLY A 25 -3.210 -4.355 8.903 1.00 65.10 C ATOM 397 C GLY A 25 -1.802 -3.873 8.614 1.00 3.01 C ATOM 398 O GLY A 25 -1.398 -2.804 9.072 1.00 74.24 O ATOM 0 H GLY A 25 -3.341 -6.446 8.845 1.00 52.44 H new ATOM 0 HA2 GLY A 25 -3.924 -3.606 8.562 1.00 65.10 H new ATOM 0 HA3 GLY A 25 -3.343 -4.455 9.980 1.00 65.10 H new ATOM 402 N ALA A 26 -1.051 -4.664 7.854 1.00 55.22 N ATOM 403 CA ALA A 26 0.319 -4.311 7.504 1.00 21.54 C ATOM 404 C ALA A 26 0.382 -3.645 6.134 1.00 23.32 C ATOM 405 O ALA A 26 1.404 -3.073 5.758 1.00 1.42 O ATOM 406 CB ALA A 26 1.206 -5.548 7.534 1.00 53.40 C ATOM 0 H ALA A 26 -1.369 -5.554 7.469 1.00 55.22 H new ATOM 0 HA ALA A 26 0.684 -3.597 8.242 1.00 21.54 H new ATOM 0 HB1 ALA A 26 2.227 -5.270 7.271 1.00 53.40 H new ATOM 0 HB2 ALA A 26 1.194 -5.980 8.535 1.00 53.40 H new ATOM 0 HB3 ALA A 26 0.833 -6.281 6.818 1.00 53.40 H new ATOM 412 N GLY A 27 -0.717 -3.725 5.391 1.00 73.21 N ATOM 413 CA GLY A 27 -0.765 -3.126 4.070 1.00 62.32 C ATOM 414 C GLY A 27 -0.179 -4.029 3.002 1.00 32.35 C ATOM 415 O GLY A 27 0.364 -3.553 2.005 1.00 2.30 O ATOM 0 H GLY A 27 -1.575 -4.194 5.680 1.00 73.21 H new ATOM 0 HA2 GLY A 27 -1.799 -2.894 3.817 1.00 62.32 H new ATOM 0 HA3 GLY A 27 -0.220 -2.182 4.082 1.00 62.32 H new ATOM 419 N LEU A 28 -0.288 -5.337 3.211 1.00 5.33 N ATOM 420 CA LEU A 28 0.237 -6.310 2.259 1.00 3.35 C ATOM 421 C LEU A 28 -0.776 -7.421 2.002 1.00 5.23 C ATOM 422 O LEU A 28 -1.449 -7.888 2.922 1.00 41.24 O ATOM 423 CB LEU A 28 1.546 -6.907 2.780 1.00 72.11 C ATOM 424 CG LEU A 28 2.228 -6.142 3.914 1.00 25.24 C ATOM 425 CD1 LEU A 28 3.339 -6.979 4.530 1.00 63.04 C ATOM 426 CD2 LEU A 28 2.775 -4.815 3.409 1.00 24.02 C ATOM 0 H LEU A 28 -0.735 -5.748 4.031 1.00 5.33 H new ATOM 0 HA LEU A 28 0.429 -5.795 1.318 1.00 3.35 H new ATOM 0 HB2 LEU A 28 1.348 -7.923 3.122 1.00 72.11 H new ATOM 0 HB3 LEU A 28 2.245 -6.981 1.947 1.00 72.11 H new ATOM 0 HG LEU A 28 1.486 -5.936 4.685 1.00 25.24 H new ATOM 0 HD11 LEU A 28 3.813 -6.418 5.335 1.00 63.04 H new ATOM 0 HD12 LEU A 28 2.920 -7.903 4.929 1.00 63.04 H new ATOM 0 HD13 LEU A 28 4.081 -7.217 3.768 1.00 63.04 H new ATOM 0 HD21 LEU A 28 3.257 -4.284 4.230 1.00 24.02 H new ATOM 0 HD22 LEU A 28 3.503 -4.999 2.619 1.00 24.02 H new ATOM 0 HD23 LEU A 28 1.958 -4.210 3.016 1.00 24.02 H new ATOM 438 N THR A 29 -0.878 -7.842 0.746 1.00 65.45 N ATOM 439 CA THR A 29 -1.807 -8.899 0.367 1.00 62.40 C ATOM 440 C THR A 29 -1.668 -10.108 1.285 1.00 61.40 C ATOM 441 O THR A 29 -0.638 -10.291 1.935 1.00 1.01 O ATOM 442 CB THR A 29 -1.585 -9.347 -1.090 1.00 60.20 C ATOM 443 OG1 THR A 29 -1.427 -8.203 -1.936 1.00 5.43 O ATOM 444 CG2 THR A 29 -2.753 -10.189 -1.581 1.00 60.12 C ATOM 0 H THR A 29 -0.328 -7.467 -0.027 1.00 65.45 H new ATOM 0 HA THR A 29 -2.811 -8.486 0.463 1.00 62.40 H new ATOM 0 HB THR A 29 -0.680 -9.953 -1.126 1.00 60.20 H new ATOM 0 HG1 THR A 29 -1.445 -8.485 -2.874 1.00 5.43 H new ATOM 0 HG21 THR A 29 -2.574 -10.494 -2.612 1.00 60.12 H new ATOM 0 HG22 THR A 29 -2.853 -11.074 -0.953 1.00 60.12 H new ATOM 0 HG23 THR A 29 -3.671 -9.603 -1.530 1.00 60.12 H new ATOM 452 N CYS A 30 -2.709 -10.931 1.333 1.00 35.41 N ATOM 453 CA CYS A 30 -2.703 -12.124 2.173 1.00 72.25 C ATOM 454 C CYS A 30 -3.426 -13.277 1.484 1.00 35.22 C ATOM 455 O CYS A 30 -4.605 -13.171 1.143 1.00 11.22 O ATOM 456 CB CYS A 30 -3.360 -11.827 3.522 1.00 64.34 C ATOM 457 SG CYS A 30 -4.956 -10.988 3.397 1.00 75.42 S ATOM 0 H CYS A 30 -3.568 -10.795 0.800 1.00 35.41 H new ATOM 0 HA CYS A 30 -1.666 -12.416 2.339 1.00 72.25 H new ATOM 0 HB2 CYS A 30 -3.496 -12.764 4.062 1.00 64.34 H new ATOM 0 HB3 CYS A 30 -2.684 -11.212 4.116 1.00 64.34 H new ATOM 0 HG CYS A 30 -5.613 -11.456 2.378 1.00 75.42 H new ATOM 463 N THR A 31 -2.712 -14.380 1.281 1.00 52.14 N ATOM 464 CA THR A 31 -3.284 -15.552 0.630 1.00 13.03 C ATOM 465 C THR A 31 -3.120 -16.796 1.496 1.00 62.13 C ATOM 466 O THR A 31 -2.004 -17.267 1.719 1.00 32.22 O ATOM 467 CB THR A 31 -2.634 -15.806 -0.743 1.00 32.02 C ATOM 468 OG1 THR A 31 -2.495 -14.572 -1.455 1.00 11.51 O ATOM 469 CG2 THR A 31 -3.466 -16.780 -1.564 1.00 12.24 C ATOM 0 H THR A 31 -1.736 -14.486 1.558 1.00 52.14 H new ATOM 0 HA THR A 31 -4.345 -15.348 0.488 1.00 13.03 H new ATOM 0 HB THR A 31 -1.649 -16.243 -0.579 1.00 32.02 H new ATOM 0 HG1 THR A 31 -1.551 -14.309 -1.472 1.00 11.51 H new ATOM 0 HG21 THR A 31 -2.987 -16.944 -2.529 1.00 12.24 H new ATOM 0 HG22 THR A 31 -3.545 -17.728 -1.033 1.00 12.24 H new ATOM 0 HG23 THR A 31 -4.463 -16.367 -1.719 1.00 12.24 H new ATOM 477 N THR A 32 -4.238 -17.326 1.981 1.00 14.01 N ATOM 478 CA THR A 32 -4.218 -18.516 2.823 1.00 51.43 C ATOM 479 C THR A 32 -4.625 -19.755 2.033 1.00 13.53 C ATOM 480 O THR A 32 -5.667 -19.770 1.378 1.00 72.45 O ATOM 481 CB THR A 32 -5.156 -18.362 4.035 1.00 23.21 C ATOM 482 OG1 THR A 32 -6.514 -18.253 3.594 1.00 45.14 O ATOM 483 CG2 THR A 32 -4.784 -17.136 4.855 1.00 24.33 C ATOM 0 H THR A 32 -5.170 -16.950 1.805 1.00 14.01 H new ATOM 0 HA THR A 32 -3.194 -18.635 3.178 1.00 51.43 H new ATOM 0 HB THR A 32 -5.049 -19.246 4.663 1.00 23.21 H new ATOM 0 HG1 THR A 32 -6.595 -18.622 2.690 1.00 45.14 H new ATOM 0 HG21 THR A 32 -5.460 -17.048 5.705 1.00 24.33 H new ATOM 0 HG22 THR A 32 -3.760 -17.236 5.215 1.00 24.33 H new ATOM 0 HG23 THR A 32 -4.865 -16.244 4.233 1.00 24.33 H new ATOM 491 N PHE A 33 -3.798 -20.792 2.101 1.00 24.00 N ATOM 492 CA PHE A 33 -4.072 -22.036 1.392 1.00 60.42 C ATOM 493 C PHE A 33 -4.323 -23.178 2.373 1.00 11.41 C ATOM 494 O PHE A 33 -4.423 -22.961 3.580 1.00 11.31 O ATOM 495 CB PHE A 33 -2.904 -22.390 0.469 1.00 71.23 C ATOM 496 CG PHE A 33 -2.683 -21.389 -0.629 1.00 73.22 C ATOM 497 CD1 PHE A 33 -3.333 -21.521 -1.846 1.00 23.30 C ATOM 498 CD2 PHE A 33 -1.826 -20.317 -0.445 1.00 1.55 C ATOM 499 CE1 PHE A 33 -3.132 -20.602 -2.858 1.00 50.33 C ATOM 500 CE2 PHE A 33 -1.622 -19.394 -1.453 1.00 3.31 C ATOM 501 CZ PHE A 33 -2.275 -19.537 -2.662 1.00 25.23 C ATOM 0 H PHE A 33 -2.932 -20.796 2.640 1.00 24.00 H new ATOM 0 HA PHE A 33 -4.970 -21.892 0.792 1.00 60.42 H new ATOM 0 HB2 PHE A 33 -1.994 -22.472 1.063 1.00 71.23 H new ATOM 0 HB3 PHE A 33 -3.085 -23.369 0.026 1.00 71.23 H new ATOM 0 HD1 PHE A 33 -4.004 -22.352 -2.005 1.00 23.30 H new ATOM 0 HD2 PHE A 33 -1.311 -20.201 0.497 1.00 1.55 H new ATOM 0 HE1 PHE A 33 -3.645 -20.716 -3.802 1.00 50.33 H new ATOM 0 HE2 PHE A 33 -0.952 -18.561 -1.296 1.00 3.31 H new ATOM 0 HZ PHE A 33 -2.116 -18.818 -3.452 1.00 25.23 H new ATOM 511 N GLU A 34 -4.424 -24.393 1.844 1.00 35.25 N ATOM 512 CA GLU A 34 -4.665 -25.568 2.673 1.00 34.35 C ATOM 513 C GLU A 34 -3.836 -26.755 2.190 1.00 52.40 C ATOM 514 O GLU A 34 -4.104 -27.900 2.550 1.00 62.11 O ATOM 515 CB GLU A 34 -6.152 -25.932 2.662 1.00 64.24 C ATOM 516 CG GLU A 34 -6.618 -26.545 1.352 1.00 42.24 C ATOM 517 CD GLU A 34 -8.014 -26.099 0.964 1.00 73.15 C ATOM 518 OE1 GLU A 34 -8.232 -24.877 0.829 1.00 3.11 O ATOM 519 OE2 GLU A 34 -8.890 -26.974 0.794 1.00 43.40 O ATOM 0 H GLU A 34 -4.343 -24.589 0.846 1.00 35.25 H new ATOM 0 HA GLU A 34 -4.364 -25.328 3.693 1.00 34.35 H new ATOM 0 HB2 GLU A 34 -6.352 -26.632 3.473 1.00 64.24 H new ATOM 0 HB3 GLU A 34 -6.739 -25.036 2.863 1.00 64.24 H new ATOM 0 HG2 GLU A 34 -5.920 -26.274 0.560 1.00 42.24 H new ATOM 0 HG3 GLU A 34 -6.598 -27.632 1.436 1.00 42.24 H new ATOM 526 N ASN A 35 -2.828 -26.470 1.371 1.00 35.14 N ATOM 527 CA ASN A 35 -1.960 -27.513 0.837 1.00 52.00 C ATOM 528 C ASN A 35 -0.832 -26.909 0.007 1.00 4.31 C ATOM 529 O ASN A 35 -1.069 -26.093 -0.883 1.00 32.04 O ATOM 530 CB ASN A 35 -2.769 -28.491 -0.017 1.00 53.03 C ATOM 531 CG ASN A 35 -3.078 -29.781 0.717 1.00 61.51 C ATOM 532 OD1 ASN A 35 -4.233 -30.199 0.802 1.00 22.31 O ATOM 533 ND2 ASN A 35 -2.043 -30.420 1.252 1.00 54.41 N ATOM 0 H ASN A 35 -2.593 -25.526 1.063 1.00 35.14 H new ATOM 0 HA ASN A 35 -1.521 -28.052 1.677 1.00 52.00 H new ATOM 0 HB2 ASN A 35 -3.702 -28.017 -0.322 1.00 53.03 H new ATOM 0 HB3 ASN A 35 -2.215 -28.718 -0.928 1.00 53.03 H new ATOM 0 HD21 ASN A 35 -2.189 -31.294 1.758 1.00 54.41 H new ATOM 0 HD22 ASN A 35 -1.103 -30.037 1.157 1.00 54.41 H new ATOM 540 N GLY A 36 0.399 -27.316 0.305 1.00 34.11 N ATOM 541 CA GLY A 36 1.546 -26.806 -0.422 1.00 52.54 C ATOM 542 C GLY A 36 1.482 -27.123 -1.903 1.00 74.21 C ATOM 543 O GLY A 36 1.971 -26.356 -2.731 1.00 12.01 O ATOM 0 H GLY A 36 0.621 -27.990 1.037 1.00 34.11 H new ATOM 0 HA2 GLY A 36 1.607 -25.726 -0.287 1.00 52.54 H new ATOM 0 HA3 GLY A 36 2.457 -27.232 -0.002 1.00 52.54 H new ATOM 547 N ASN A 37 0.878 -28.259 -2.237 1.00 73.04 N ATOM 548 CA ASN A 37 0.753 -28.678 -3.629 1.00 5.21 C ATOM 549 C ASN A 37 -0.018 -27.642 -4.442 1.00 25.21 C ATOM 550 O ASN A 37 0.215 -27.481 -5.639 1.00 45.32 O ATOM 551 CB ASN A 37 0.052 -30.035 -3.714 1.00 50.22 C ATOM 552 CG ASN A 37 -1.452 -29.900 -3.858 1.00 63.31 C ATOM 553 OD1 ASN A 37 -2.183 -29.898 -2.868 1.00 54.31 O ATOM 554 ND2 ASN A 37 -1.920 -29.788 -5.096 1.00 24.12 N ATOM 0 H ASN A 37 0.468 -28.906 -1.563 1.00 73.04 H new ATOM 0 HA ASN A 37 1.756 -28.768 -4.047 1.00 5.21 H new ATOM 0 HB2 ASN A 37 0.447 -30.593 -4.563 1.00 50.22 H new ATOM 0 HB3 ASN A 37 0.278 -30.615 -2.819 1.00 50.22 H new ATOM 0 HD21 ASN A 37 -2.923 -29.695 -5.256 1.00 24.12 H new ATOM 0 HD22 ASN A 37 -1.276 -29.795 -5.887 1.00 24.12 H new ATOM 561 N GLU A 38 -0.936 -26.944 -3.782 1.00 3.54 N ATOM 562 CA GLU A 38 -1.741 -25.924 -4.444 1.00 2.24 C ATOM 563 C GLU A 38 -1.066 -24.558 -4.359 1.00 1.11 C ATOM 564 O GLU A 38 -1.431 -23.627 -5.077 1.00 0.22 O ATOM 565 CB GLU A 38 -3.135 -25.856 -3.816 1.00 43.10 C ATOM 566 CG GLU A 38 -3.603 -27.177 -3.229 1.00 40.12 C ATOM 567 CD GLU A 38 -5.108 -27.347 -3.303 1.00 61.41 C ATOM 568 OE1 GLU A 38 -5.808 -26.339 -3.534 1.00 62.11 O ATOM 569 OE2 GLU A 38 -5.586 -28.488 -3.130 1.00 3.10 O ATOM 0 H GLU A 38 -1.141 -27.066 -2.790 1.00 3.54 H new ATOM 0 HA GLU A 38 -1.836 -26.198 -5.495 1.00 2.24 H new ATOM 0 HB2 GLU A 38 -3.134 -25.099 -3.031 1.00 43.10 H new ATOM 0 HB3 GLU A 38 -3.849 -25.531 -4.572 1.00 43.10 H new ATOM 0 HG2 GLU A 38 -3.122 -27.998 -3.761 1.00 40.12 H new ATOM 0 HG3 GLU A 38 -3.284 -27.241 -2.189 1.00 40.12 H new ATOM 576 N VAL A 39 -0.079 -24.446 -3.475 1.00 40.34 N ATOM 577 CA VAL A 39 0.648 -23.195 -3.296 1.00 41.20 C ATOM 578 C VAL A 39 1.836 -23.109 -4.247 1.00 44.52 C ATOM 579 O VAL A 39 2.108 -22.055 -4.825 1.00 72.34 O ATOM 580 CB VAL A 39 1.151 -23.041 -1.848 1.00 41.54 C ATOM 581 CG1 VAL A 39 1.712 -21.645 -1.624 1.00 10.42 C ATOM 582 CG2 VAL A 39 0.033 -23.340 -0.862 1.00 11.14 C ATOM 0 H VAL A 39 0.235 -25.206 -2.872 1.00 40.34 H new ATOM 0 HA VAL A 39 -0.050 -22.388 -3.518 1.00 41.20 H new ATOM 0 HB VAL A 39 1.953 -23.760 -1.681 1.00 41.54 H new ATOM 0 HG11 VAL A 39 2.063 -21.554 -0.596 1.00 10.42 H new ATOM 0 HG12 VAL A 39 2.544 -21.473 -2.307 1.00 10.42 H new ATOM 0 HG13 VAL A 39 0.932 -20.906 -1.808 1.00 10.42 H new ATOM 0 HG21 VAL A 39 0.406 -23.226 0.156 1.00 11.14 H new ATOM 0 HG22 VAL A 39 -0.792 -22.647 -1.026 1.00 11.14 H new ATOM 0 HG23 VAL A 39 -0.318 -24.362 -1.008 1.00 11.14 H new ATOM 592 N LEU A 40 2.542 -24.223 -4.406 1.00 0.21 N ATOM 593 CA LEU A 40 3.703 -24.274 -5.288 1.00 75.34 C ATOM 594 C LEU A 40 3.367 -23.706 -6.664 1.00 35.25 C ATOM 595 O LEU A 40 4.133 -22.926 -7.228 1.00 12.03 O ATOM 596 CB LEU A 40 4.199 -25.714 -5.426 1.00 63.54 C ATOM 597 CG LEU A 40 4.907 -26.058 -6.738 1.00 14.31 C ATOM 598 CD1 LEU A 40 6.055 -25.094 -6.993 1.00 52.33 C ATOM 599 CD2 LEU A 40 5.409 -27.494 -6.713 1.00 1.11 C ATOM 0 H LEU A 40 2.331 -25.103 -3.936 1.00 0.21 H new ATOM 0 HA LEU A 40 4.492 -23.665 -4.846 1.00 75.34 H new ATOM 0 HB2 LEU A 40 4.882 -25.922 -4.602 1.00 63.54 H new ATOM 0 HB3 LEU A 40 3.347 -26.383 -5.310 1.00 63.54 H new ATOM 0 HG LEU A 40 4.189 -25.960 -7.553 1.00 14.31 H new ATOM 0 HD11 LEU A 40 6.547 -25.354 -7.930 1.00 52.33 H new ATOM 0 HD12 LEU A 40 5.669 -24.077 -7.056 1.00 52.33 H new ATOM 0 HD13 LEU A 40 6.773 -25.159 -6.176 1.00 52.33 H new ATOM 0 HD21 LEU A 40 5.910 -27.721 -7.654 1.00 1.11 H new ATOM 0 HD22 LEU A 40 6.111 -27.620 -5.889 1.00 1.11 H new ATOM 0 HD23 LEU A 40 4.566 -28.172 -6.578 1.00 1.11 H new ATOM 611 N ALA A 41 2.215 -24.102 -7.196 1.00 51.41 N ATOM 612 CA ALA A 41 1.775 -23.629 -8.503 1.00 4.41 C ATOM 613 C ALA A 41 1.375 -22.158 -8.448 1.00 70.23 C ATOM 614 O ALA A 41 1.491 -21.437 -9.438 1.00 53.54 O ATOM 615 CB ALA A 41 0.616 -24.475 -9.008 1.00 1.20 C ATOM 0 H ALA A 41 1.570 -24.749 -6.742 1.00 51.41 H new ATOM 0 HA ALA A 41 2.610 -23.726 -9.197 1.00 4.41 H new ATOM 0 HB1 ALA A 41 0.298 -24.110 -9.985 1.00 1.20 H new ATOM 0 HB2 ALA A 41 0.934 -25.514 -9.095 1.00 1.20 H new ATOM 0 HB3 ALA A 41 -0.216 -24.408 -8.307 1.00 1.20 H new ATOM 621 N ALA A 42 0.903 -21.721 -7.285 1.00 41.04 N ATOM 622 CA ALA A 42 0.487 -20.336 -7.102 1.00 32.20 C ATOM 623 C ALA A 42 1.640 -19.376 -7.372 1.00 2.12 C ATOM 624 O ALA A 42 1.434 -18.262 -7.856 1.00 21.13 O ATOM 625 CB ALA A 42 -0.056 -20.130 -5.696 1.00 31.24 C ATOM 0 H ALA A 42 0.799 -22.306 -6.456 1.00 41.04 H new ATOM 0 HA ALA A 42 -0.304 -20.122 -7.820 1.00 32.20 H new ATOM 0 HB1 ALA A 42 -0.363 -19.091 -5.573 1.00 31.24 H new ATOM 0 HB2 ALA A 42 -0.914 -20.783 -5.538 1.00 31.24 H new ATOM 0 HB3 ALA A 42 0.720 -20.368 -4.968 1.00 31.24 H new ATOM 631 N LEU A 43 2.854 -19.813 -7.056 1.00 21.14 N ATOM 632 CA LEU A 43 4.041 -18.992 -7.263 1.00 45.54 C ATOM 633 C LEU A 43 4.321 -18.805 -8.751 1.00 62.33 C ATOM 634 O LEU A 43 4.889 -17.795 -9.164 1.00 42.24 O ATOM 635 CB LEU A 43 5.253 -19.629 -6.581 1.00 71.31 C ATOM 636 CG LEU A 43 4.963 -20.431 -5.311 1.00 44.25 C ATOM 637 CD1 LEU A 43 6.259 -20.910 -4.676 1.00 20.04 C ATOM 638 CD2 LEU A 43 4.160 -19.596 -4.325 1.00 41.41 C ATOM 0 H LEU A 43 3.042 -20.732 -6.655 1.00 21.14 H new ATOM 0 HA LEU A 43 3.856 -18.013 -6.820 1.00 45.54 H new ATOM 0 HB2 LEU A 43 5.744 -20.287 -7.298 1.00 71.31 H new ATOM 0 HB3 LEU A 43 5.963 -18.839 -6.334 1.00 71.31 H new ATOM 0 HG LEU A 43 4.371 -21.305 -5.582 1.00 44.25 H new ATOM 0 HD11 LEU A 43 6.034 -21.479 -3.774 1.00 20.04 H new ATOM 0 HD12 LEU A 43 6.796 -21.545 -5.380 1.00 20.04 H new ATOM 0 HD13 LEU A 43 6.877 -20.050 -4.418 1.00 20.04 H new ATOM 0 HD21 LEU A 43 3.963 -20.182 -3.428 1.00 41.41 H new ATOM 0 HD22 LEU A 43 4.726 -18.704 -4.058 1.00 41.41 H new ATOM 0 HD23 LEU A 43 3.215 -19.303 -4.782 1.00 41.41 H new ATOM 650 N ALA A 44 3.916 -19.786 -9.552 1.00 23.15 N ATOM 651 CA ALA A 44 4.119 -19.728 -10.994 1.00 24.33 C ATOM 652 C ALA A 44 3.098 -18.810 -11.656 1.00 34.13 C ATOM 653 O ALA A 44 3.138 -18.591 -12.866 1.00 43.13 O ATOM 654 CB ALA A 44 4.044 -21.124 -11.594 1.00 30.53 C ATOM 0 H ALA A 44 3.445 -20.630 -9.226 1.00 23.15 H new ATOM 0 HA ALA A 44 5.111 -19.317 -11.180 1.00 24.33 H new ATOM 0 HB1 ALA A 44 4.197 -21.066 -12.672 1.00 30.53 H new ATOM 0 HB2 ALA A 44 4.817 -21.752 -11.151 1.00 30.53 H new ATOM 0 HB3 ALA A 44 3.064 -21.556 -11.390 1.00 30.53 H new ATOM 660 N SER A 45 2.181 -18.276 -10.854 1.00 25.40 N ATOM 661 CA SER A 45 1.146 -17.385 -11.363 1.00 72.24 C ATOM 662 C SER A 45 1.052 -16.120 -10.515 1.00 62.43 C ATOM 663 O SER A 45 0.006 -15.475 -10.455 1.00 15.11 O ATOM 664 CB SER A 45 -0.207 -18.100 -11.384 1.00 43.04 C ATOM 665 OG SER A 45 -0.737 -18.150 -12.698 1.00 1.34 O ATOM 0 H SER A 45 2.135 -18.446 -9.849 1.00 25.40 H new ATOM 0 HA SER A 45 1.415 -17.100 -12.380 1.00 72.24 H new ATOM 0 HB2 SER A 45 -0.093 -19.112 -10.996 1.00 43.04 H new ATOM 0 HB3 SER A 45 -0.905 -17.583 -10.726 1.00 43.04 H new ATOM 0 HG SER A 45 -1.601 -18.613 -12.685 1.00 1.34 H new ATOM 671 N LYS A 46 2.155 -15.772 -9.861 1.00 13.32 N ATOM 672 CA LYS A 46 2.200 -14.584 -9.016 1.00 64.02 C ATOM 673 C LYS A 46 3.573 -14.429 -8.370 1.00 2.42 C ATOM 674 O LYS A 46 4.121 -13.327 -8.308 1.00 21.43 O ATOM 675 CB LYS A 46 1.121 -14.661 -7.934 1.00 40.31 C ATOM 676 CG LYS A 46 0.209 -13.447 -7.897 1.00 41.44 C ATOM 677 CD LYS A 46 0.600 -12.489 -6.785 1.00 5.24 C ATOM 678 CE LYS A 46 -0.561 -12.232 -5.836 1.00 65.30 C ATOM 679 NZ LYS A 46 -1.310 -10.997 -6.198 1.00 22.23 N ATOM 0 H LYS A 46 3.030 -16.295 -9.900 1.00 13.32 H new ATOM 0 HA LYS A 46 2.013 -13.714 -9.645 1.00 64.02 H new ATOM 0 HB2 LYS A 46 0.517 -15.554 -8.098 1.00 40.31 H new ATOM 0 HB3 LYS A 46 1.601 -14.774 -6.962 1.00 40.31 H new ATOM 0 HG2 LYS A 46 0.251 -12.930 -8.856 1.00 41.44 H new ATOM 0 HG3 LYS A 46 -0.822 -13.770 -7.754 1.00 41.44 H new ATOM 0 HD2 LYS A 46 1.442 -12.900 -6.228 1.00 5.24 H new ATOM 0 HD3 LYS A 46 0.934 -11.546 -7.217 1.00 5.24 H new ATOM 0 HE2 LYS A 46 -1.239 -13.086 -5.852 1.00 65.30 H new ATOM 0 HE3 LYS A 46 -0.184 -12.143 -4.817 1.00 65.30 H new ATOM 0 HZ1 LYS A 46 -2.093 -10.857 -5.528 1.00 22.23 H new ATOM 0 HZ2 LYS A 46 -0.670 -10.178 -6.158 1.00 22.23 H new ATOM 0 HZ3 LYS A 46 -1.691 -11.092 -7.161 1.00 22.23 H new ATOM 693 N THR A 47 4.126 -15.539 -7.890 1.00 14.40 N ATOM 694 CA THR A 47 5.434 -15.526 -7.249 1.00 3.52 C ATOM 695 C THR A 47 5.491 -14.484 -6.137 1.00 24.42 C ATOM 696 O THR A 47 5.826 -13.321 -6.360 1.00 12.34 O ATOM 697 CB THR A 47 6.555 -15.236 -8.265 1.00 61.52 C ATOM 698 OG1 THR A 47 5.991 -14.969 -9.554 1.00 32.12 O ATOM 699 CG2 THR A 47 7.516 -16.412 -8.361 1.00 35.34 C ATOM 0 H THR A 47 3.687 -16.459 -7.934 1.00 14.40 H new ATOM 0 HA THR A 47 5.587 -16.518 -6.823 1.00 3.52 H new ATOM 0 HB THR A 47 7.108 -14.362 -7.922 1.00 61.52 H new ATOM 0 HG1 THR A 47 6.710 -14.784 -10.194 1.00 32.12 H new ATOM 0 HG21 THR A 47 8.299 -16.184 -9.084 1.00 35.34 H new ATOM 0 HG22 THR A 47 7.966 -16.595 -7.385 1.00 35.34 H new ATOM 0 HG23 THR A 47 6.973 -17.301 -8.682 1.00 35.34 H new ATOM 707 N PRO A 48 5.158 -14.910 -4.909 1.00 42.21 N ATOM 708 CA PRO A 48 5.165 -14.029 -3.737 1.00 62.22 C ATOM 709 C PRO A 48 6.577 -13.628 -3.322 1.00 35.21 C ATOM 710 O PRO A 48 7.552 -14.281 -3.693 1.00 21.35 O ATOM 711 CB PRO A 48 4.509 -14.882 -2.649 1.00 24.35 C ATOM 712 CG PRO A 48 4.762 -16.290 -3.067 1.00 12.32 C ATOM 713 CD PRO A 48 4.749 -16.283 -4.570 1.00 65.35 C ATOM 0 HA PRO A 48 4.648 -13.089 -3.930 1.00 62.22 H new ATOM 0 HB2 PRO A 48 4.942 -14.676 -1.670 1.00 24.35 H new ATOM 0 HB3 PRO A 48 3.441 -14.677 -2.575 1.00 24.35 H new ATOM 0 HG2 PRO A 48 5.720 -16.644 -2.686 1.00 12.32 H new ATOM 0 HG3 PRO A 48 3.996 -16.958 -2.673 1.00 12.32 H new ATOM 0 HD2 PRO A 48 5.438 -17.021 -4.981 1.00 65.35 H new ATOM 0 HD3 PRO A 48 3.760 -16.516 -4.964 1.00 65.35 H new ATOM 721 N ASP A 49 6.678 -12.551 -2.551 1.00 34.34 N ATOM 722 CA ASP A 49 7.970 -12.064 -2.083 1.00 63.23 C ATOM 723 C ASP A 49 8.353 -12.721 -0.761 1.00 31.03 C ATOM 724 O ASP A 49 9.458 -12.525 -0.255 1.00 11.23 O ATOM 725 CB ASP A 49 7.938 -10.544 -1.921 1.00 41.44 C ATOM 726 CG ASP A 49 8.502 -9.821 -3.129 1.00 11.32 C ATOM 727 OD1 ASP A 49 9.710 -9.978 -3.404 1.00 41.21 O ATOM 728 OD2 ASP A 49 7.735 -9.098 -3.799 1.00 31.51 O ATOM 0 H ASP A 49 5.880 -11.998 -2.237 1.00 34.34 H new ATOM 0 HA ASP A 49 8.721 -12.326 -2.829 1.00 63.23 H new ATOM 0 HB2 ASP A 49 6.910 -10.221 -1.755 1.00 41.44 H new ATOM 0 HB3 ASP A 49 8.508 -10.264 -1.035 1.00 41.44 H new ATOM 733 N VAL A 50 7.431 -13.501 -0.205 1.00 22.02 N ATOM 734 CA VAL A 50 7.671 -14.187 1.059 1.00 25.01 C ATOM 735 C VAL A 50 6.491 -15.075 1.436 1.00 72.04 C ATOM 736 O VAL A 50 5.347 -14.791 1.078 1.00 50.31 O ATOM 737 CB VAL A 50 7.931 -13.186 2.201 1.00 64.05 C ATOM 738 CG1 VAL A 50 6.723 -12.285 2.406 1.00 21.23 C ATOM 739 CG2 VAL A 50 8.283 -13.922 3.485 1.00 73.25 C ATOM 0 H VAL A 50 6.511 -13.673 -0.610 1.00 22.02 H new ATOM 0 HA VAL A 50 8.557 -14.806 0.919 1.00 25.01 H new ATOM 0 HB VAL A 50 8.779 -12.559 1.926 1.00 64.05 H new ATOM 0 HG11 VAL A 50 6.925 -11.585 3.216 1.00 21.23 H new ATOM 0 HG12 VAL A 50 6.523 -11.731 1.489 1.00 21.23 H new ATOM 0 HG13 VAL A 50 5.855 -12.893 2.660 1.00 21.23 H new ATOM 0 HG21 VAL A 50 8.463 -13.199 4.281 1.00 73.25 H new ATOM 0 HG22 VAL A 50 7.457 -14.575 3.768 1.00 73.25 H new ATOM 0 HG23 VAL A 50 9.181 -14.520 3.327 1.00 73.25 H new ATOM 749 N LEU A 51 6.775 -16.152 2.160 1.00 10.41 N ATOM 750 CA LEU A 51 5.736 -17.083 2.587 1.00 41.32 C ATOM 751 C LEU A 51 6.037 -17.635 3.976 1.00 1.04 C ATOM 752 O LEU A 51 7.195 -17.706 4.390 1.00 20.34 O ATOM 753 CB LEU A 51 5.611 -18.232 1.585 1.00 52.11 C ATOM 754 CG LEU A 51 4.194 -18.747 1.328 1.00 23.35 C ATOM 755 CD1 LEU A 51 4.063 -19.260 -0.097 1.00 54.33 C ATOM 756 CD2 LEU A 51 3.836 -19.840 2.325 1.00 32.00 C ATOM 0 H LEU A 51 7.716 -16.402 2.464 1.00 10.41 H new ATOM 0 HA LEU A 51 4.791 -16.541 2.629 1.00 41.32 H new ATOM 0 HB2 LEU A 51 6.036 -17.907 0.635 1.00 52.11 H new ATOM 0 HB3 LEU A 51 6.220 -19.064 1.939 1.00 52.11 H new ATOM 0 HG LEU A 51 3.497 -17.919 1.460 1.00 23.35 H new ATOM 0 HD11 LEU A 51 3.048 -19.622 -0.261 1.00 54.33 H new ATOM 0 HD12 LEU A 51 4.277 -18.451 -0.796 1.00 54.33 H new ATOM 0 HD13 LEU A 51 4.769 -20.075 -0.257 1.00 54.33 H new ATOM 0 HD21 LEU A 51 2.825 -20.195 2.128 1.00 32.00 H new ATOM 0 HD22 LEU A 51 4.537 -20.668 2.224 1.00 32.00 H new ATOM 0 HD23 LEU A 51 3.889 -19.440 3.338 1.00 32.00 H new ATOM 768 N LEU A 52 4.988 -18.027 4.692 1.00 44.55 N ATOM 769 CA LEU A 52 5.140 -18.575 6.035 1.00 60.33 C ATOM 770 C LEU A 52 4.450 -19.931 6.150 1.00 10.32 C ATOM 771 O LEU A 52 3.256 -20.008 6.440 1.00 1.10 O ATOM 772 CB LEU A 52 4.565 -17.607 7.070 1.00 30.53 C ATOM 773 CG LEU A 52 4.737 -16.119 6.766 1.00 52.10 C ATOM 774 CD1 LEU A 52 3.393 -15.479 6.455 1.00 14.12 C ATOM 775 CD2 LEU A 52 5.410 -15.410 7.932 1.00 30.33 C ATOM 0 H LEU A 52 4.023 -17.975 4.364 1.00 44.55 H new ATOM 0 HA LEU A 52 6.204 -18.712 6.228 1.00 60.33 H new ATOM 0 HB2 LEU A 52 3.500 -17.814 7.180 1.00 30.53 H new ATOM 0 HB3 LEU A 52 5.031 -17.817 8.033 1.00 30.53 H new ATOM 0 HG LEU A 52 5.376 -16.019 5.889 1.00 52.10 H new ATOM 0 HD11 LEU A 52 3.535 -14.420 6.241 1.00 14.12 H new ATOM 0 HD12 LEU A 52 2.949 -15.968 5.588 1.00 14.12 H new ATOM 0 HD13 LEU A 52 2.730 -15.590 7.313 1.00 14.12 H new ATOM 0 HD21 LEU A 52 5.524 -14.352 7.697 1.00 30.33 H new ATOM 0 HD22 LEU A 52 4.797 -15.519 8.827 1.00 30.33 H new ATOM 0 HD23 LEU A 52 6.391 -15.850 8.108 1.00 30.33 H new ATOM 787 N SER A 53 5.210 -20.997 5.924 1.00 61.34 N ATOM 788 CA SER A 53 4.672 -22.350 6.001 1.00 75.23 C ATOM 789 C SER A 53 4.396 -22.744 7.449 1.00 44.42 C ATOM 790 O SER A 53 5.186 -22.446 8.345 1.00 22.32 O ATOM 791 CB SER A 53 5.644 -23.346 5.366 1.00 41.13 C ATOM 792 OG SER A 53 6.415 -24.007 6.354 1.00 2.41 O ATOM 0 H SER A 53 6.201 -20.950 5.686 1.00 61.34 H new ATOM 0 HA SER A 53 3.731 -22.371 5.451 1.00 75.23 H new ATOM 0 HB2 SER A 53 5.088 -24.080 4.783 1.00 41.13 H new ATOM 0 HB3 SER A 53 6.305 -22.823 4.674 1.00 41.13 H new ATOM 0 HG SER A 53 6.781 -24.836 5.982 1.00 2.41 H new ATOM 798 N ASP A 54 3.271 -23.414 7.669 1.00 12.23 N ATOM 799 CA ASP A 54 2.890 -23.850 9.008 1.00 43.21 C ATOM 800 C ASP A 54 3.292 -25.303 9.241 1.00 75.14 C ATOM 801 O ASP A 54 3.714 -25.673 10.337 1.00 53.52 O ATOM 802 CB ASP A 54 1.383 -23.685 9.212 1.00 5.20 C ATOM 803 CG ASP A 54 0.867 -24.491 10.388 1.00 52.44 C ATOM 804 OD1 ASP A 54 1.558 -24.533 11.427 1.00 35.45 O ATOM 805 OD2 ASP A 54 -0.229 -25.078 10.268 1.00 4.23 O ATOM 0 H ASP A 54 2.606 -23.667 6.938 1.00 12.23 H new ATOM 0 HA ASP A 54 3.416 -23.226 9.730 1.00 43.21 H new ATOM 0 HB2 ASP A 54 1.154 -22.631 9.369 1.00 5.20 H new ATOM 0 HB3 ASP A 54 0.861 -23.994 8.306 1.00 5.20 H new ATOM 810 N ILE A 55 3.156 -26.122 8.203 1.00 32.34 N ATOM 811 CA ILE A 55 3.504 -27.535 8.295 1.00 2.35 C ATOM 812 C ILE A 55 2.592 -28.263 9.277 1.00 3.00 C ATOM 813 O ILE A 55 2.936 -28.438 10.446 1.00 15.33 O ATOM 814 CB ILE A 55 4.968 -27.726 8.733 1.00 2.05 C ATOM 815 CG1 ILE A 55 5.892 -26.829 7.907 1.00 0.11 C ATOM 816 CG2 ILE A 55 5.376 -29.185 8.596 1.00 71.31 C ATOM 817 CD1 ILE A 55 7.340 -26.892 8.339 1.00 3.54 C ATOM 0 H ILE A 55 2.808 -25.832 7.289 1.00 32.34 H new ATOM 0 HA ILE A 55 3.373 -27.958 7.299 1.00 2.35 H new ATOM 0 HB ILE A 55 5.058 -27.441 9.781 1.00 2.05 H new ATOM 0 HG12 ILE A 55 5.821 -27.116 6.858 1.00 0.11 H new ATOM 0 HG13 ILE A 55 5.544 -25.798 7.979 1.00 0.11 H new ATOM 0 HG21 ILE A 55 6.413 -29.304 8.909 1.00 71.31 H new ATOM 0 HG22 ILE A 55 4.734 -29.803 9.224 1.00 71.31 H new ATOM 0 HG23 ILE A 55 5.273 -29.495 7.556 1.00 71.31 H new ATOM 0 HD11 ILE A 55 7.936 -26.231 7.710 1.00 3.54 H new ATOM 0 HD12 ILE A 55 7.424 -26.576 9.379 1.00 3.54 H new ATOM 0 HD13 ILE A 55 7.705 -27.914 8.240 1.00 3.54 H new ATOM 829 N ARG A 56 1.430 -28.687 8.793 1.00 73.42 N ATOM 830 CA ARG A 56 0.468 -29.398 9.627 1.00 2.22 C ATOM 831 C ARG A 56 -0.377 -30.353 8.790 1.00 71.12 C ATOM 832 O ARG A 56 -0.669 -31.472 9.212 1.00 52.51 O ATOM 833 CB ARG A 56 -0.438 -28.405 10.357 1.00 2.52 C ATOM 834 CG ARG A 56 -0.421 -28.562 11.869 1.00 44.21 C ATOM 835 CD ARG A 56 0.445 -27.500 12.530 1.00 71.24 C ATOM 836 NE ARG A 56 -0.103 -27.067 13.812 1.00 34.41 N ATOM 837 CZ ARG A 56 0.041 -27.751 14.942 1.00 60.44 C ATOM 838 NH1 ARG A 56 0.713 -28.894 14.947 1.00 23.20 N ATOM 839 NH2 ARG A 56 -0.487 -27.292 16.069 1.00 72.31 N ATOM 0 H ARG A 56 1.131 -28.551 7.827 1.00 73.42 H new ATOM 0 HA ARG A 56 1.024 -29.981 10.362 1.00 2.22 H new ATOM 0 HB2 ARG A 56 -0.131 -27.391 10.102 1.00 2.52 H new ATOM 0 HB3 ARG A 56 -1.460 -28.528 9.999 1.00 2.52 H new ATOM 0 HG2 ARG A 56 -1.438 -28.495 12.254 1.00 44.21 H new ATOM 0 HG3 ARG A 56 -0.046 -29.552 12.129 1.00 44.21 H new ATOM 0 HD2 ARG A 56 1.450 -27.894 12.680 1.00 71.24 H new ATOM 0 HD3 ARG A 56 0.535 -26.641 11.866 1.00 71.24 H new ATOM 0 HE ARG A 56 -0.625 -26.191 13.842 1.00 34.41 H new ATOM 0 HH11 ARG A 56 1.121 -29.250 14.082 1.00 23.20 H new ATOM 0 HH12 ARG A 56 0.822 -29.417 15.816 1.00 23.20 H new ATOM 0 HH21 ARG A 56 -1.004 -26.413 16.069 1.00 72.31 H new ATOM 0 HH22 ARG A 56 -0.376 -27.818 16.936 1.00 72.31 H new ATOM 853 N MET A 57 -0.767 -29.903 7.601 1.00 22.54 N ATOM 854 CA MET A 57 -1.578 -30.719 6.705 1.00 41.23 C ATOM 855 C MET A 57 -0.984 -32.116 6.554 1.00 52.34 C ATOM 856 O MET A 57 0.220 -32.324 6.703 1.00 41.24 O ATOM 857 CB MET A 57 -1.691 -30.049 5.334 1.00 41.11 C ATOM 858 CG MET A 57 -0.352 -29.625 4.752 1.00 20.23 C ATOM 859 SD MET A 57 -0.238 -27.844 4.497 1.00 52.12 S ATOM 860 CE MET A 57 1.492 -27.673 4.068 1.00 63.34 C ATOM 0 H MET A 57 -0.535 -28.979 7.237 1.00 22.54 H new ATOM 0 HA MET A 57 -2.573 -30.812 7.139 1.00 41.23 H new ATOM 0 HB2 MET A 57 -2.177 -30.736 4.642 1.00 41.11 H new ATOM 0 HB3 MET A 57 -2.335 -29.173 5.419 1.00 41.11 H new ATOM 0 HG2 MET A 57 0.448 -29.944 5.420 1.00 20.23 H new ATOM 0 HG3 MET A 57 -0.196 -30.135 3.801 1.00 20.23 H new ATOM 0 HE1 MET A 57 1.843 -26.683 4.358 1.00 63.34 H new ATOM 0 HE2 MET A 57 2.073 -28.432 4.592 1.00 63.34 H new ATOM 0 HE3 MET A 57 1.614 -27.801 2.992 1.00 63.34 H new ATOM 870 N PRO A 58 -1.847 -33.097 6.251 1.00 11.01 N ATOM 871 CA PRO A 58 -1.430 -34.491 6.073 1.00 1.02 C ATOM 872 C PRO A 58 -0.605 -34.692 4.806 1.00 34.24 C ATOM 873 O PRO A 58 0.459 -35.308 4.838 1.00 3.33 O ATOM 874 CB PRO A 58 -2.756 -35.248 5.974 1.00 75.33 C ATOM 875 CG PRO A 58 -3.733 -34.238 5.479 1.00 12.01 C ATOM 876 CD PRO A 58 -3.296 -32.921 6.059 1.00 74.11 C ATOM 0 HA PRO A 58 -0.789 -34.832 6.886 1.00 1.02 H new ATOM 0 HB2 PRO A 58 -2.679 -36.093 5.290 1.00 75.33 H new ATOM 0 HB3 PRO A 58 -3.057 -35.648 6.942 1.00 75.33 H new ATOM 0 HG2 PRO A 58 -3.739 -34.202 4.390 1.00 12.01 H new ATOM 0 HG3 PRO A 58 -4.746 -34.487 5.795 1.00 12.01 H new ATOM 0 HD2 PRO A 58 -3.514 -32.093 5.385 1.00 74.11 H new ATOM 0 HD3 PRO A 58 -3.803 -32.708 7.000 1.00 74.11 H new ATOM 884 N GLY A 59 -1.105 -34.168 3.691 1.00 22.20 N ATOM 885 CA GLY A 59 -0.401 -34.301 2.429 1.00 23.00 C ATOM 886 C GLY A 59 1.029 -33.805 2.508 1.00 44.10 C ATOM 887 O GLY A 59 1.937 -34.560 2.855 1.00 30.01 O ATOM 0 H GLY A 59 -1.985 -33.654 3.639 1.00 22.20 H new ATOM 0 HA2 GLY A 59 -0.403 -35.347 2.124 1.00 23.00 H new ATOM 0 HA3 GLY A 59 -0.934 -33.743 1.659 1.00 23.00 H new ATOM 891 N MET A 60 1.231 -32.532 2.183 1.00 2.05 N ATOM 892 CA MET A 60 2.562 -31.936 2.219 1.00 31.41 C ATOM 893 C MET A 60 3.162 -32.029 3.619 1.00 53.25 C ATOM 894 O MET A 60 2.528 -31.645 4.602 1.00 23.10 O ATOM 895 CB MET A 60 2.502 -30.474 1.773 1.00 73.32 C ATOM 896 CG MET A 60 2.446 -30.301 0.264 1.00 64.23 C ATOM 897 SD MET A 60 3.998 -30.741 -0.543 1.00 52.42 S ATOM 898 CE MET A 60 3.745 -30.035 -2.170 1.00 70.30 C ATOM 0 H MET A 60 0.491 -31.894 1.892 1.00 2.05 H new ATOM 0 HA MET A 60 3.200 -32.492 1.532 1.00 31.41 H new ATOM 0 HB2 MET A 60 1.625 -30.003 2.217 1.00 73.32 H new ATOM 0 HB3 MET A 60 3.376 -29.949 2.159 1.00 73.32 H new ATOM 0 HG2 MET A 60 1.643 -30.919 -0.139 1.00 64.23 H new ATOM 0 HG3 MET A 60 2.200 -29.265 0.030 1.00 64.23 H new ATOM 0 HE1 MET A 60 4.614 -30.240 -2.795 1.00 70.30 H new ATOM 0 HE2 MET A 60 2.859 -30.477 -2.625 1.00 70.30 H new ATOM 0 HE3 MET A 60 3.608 -28.957 -2.082 1.00 70.30 H new ATOM 908 N ASP A 61 4.385 -32.540 3.700 1.00 20.04 N ATOM 909 CA ASP A 61 5.070 -32.682 4.980 1.00 44.02 C ATOM 910 C ASP A 61 5.534 -31.325 5.501 1.00 20.53 C ATOM 911 O ASP A 61 6.009 -31.213 6.630 1.00 2.55 O ATOM 912 CB ASP A 61 6.267 -33.625 4.840 1.00 53.51 C ATOM 913 CG ASP A 61 6.184 -34.809 5.783 1.00 41.22 C ATOM 914 OD1 ASP A 61 5.719 -34.625 6.927 1.00 1.04 O ATOM 915 OD2 ASP A 61 6.584 -35.920 5.376 1.00 54.40 O ATOM 0 H ASP A 61 4.923 -32.863 2.895 1.00 20.04 H new ATOM 0 HA ASP A 61 4.366 -33.105 5.696 1.00 44.02 H new ATOM 0 HB2 ASP A 61 6.324 -33.985 3.813 1.00 53.51 H new ATOM 0 HB3 ASP A 61 7.186 -33.072 5.035 1.00 53.51 H new ATOM 920 N GLY A 62 5.393 -30.298 4.670 1.00 42.53 N ATOM 921 CA GLY A 62 5.803 -28.963 5.064 1.00 3.53 C ATOM 922 C GLY A 62 7.004 -28.470 4.281 1.00 1.34 C ATOM 923 O GLY A 62 6.891 -27.548 3.472 1.00 63.21 O ATOM 0 H GLY A 62 5.002 -30.366 3.730 1.00 42.53 H new ATOM 0 HA2 GLY A 62 4.971 -28.273 4.920 1.00 3.53 H new ATOM 0 HA3 GLY A 62 6.040 -28.958 6.128 1.00 3.53 H new ATOM 927 N LEU A 63 8.158 -29.083 4.523 1.00 53.42 N ATOM 928 CA LEU A 63 9.386 -28.700 3.835 1.00 0.21 C ATOM 929 C LEU A 63 9.459 -29.341 2.453 1.00 31.11 C ATOM 930 O LEU A 63 10.272 -28.948 1.618 1.00 41.34 O ATOM 931 CB LEU A 63 10.606 -29.107 4.664 1.00 53.22 C ATOM 932 CG LEU A 63 10.485 -30.422 5.434 1.00 64.32 C ATOM 933 CD1 LEU A 63 10.063 -31.549 4.503 1.00 11.35 C ATOM 934 CD2 LEU A 63 11.801 -30.760 6.121 1.00 75.43 C ATOM 0 H LEU A 63 8.269 -29.847 5.190 1.00 53.42 H new ATOM 0 HA LEU A 63 9.382 -27.617 3.713 1.00 0.21 H new ATOM 0 HB2 LEU A 63 11.466 -29.177 3.998 1.00 53.22 H new ATOM 0 HB3 LEU A 63 10.819 -28.310 5.377 1.00 53.22 H new ATOM 0 HG LEU A 63 9.718 -30.304 6.199 1.00 64.32 H new ATOM 0 HD11 LEU A 63 9.982 -32.477 5.069 1.00 11.35 H new ATOM 0 HD12 LEU A 63 9.097 -31.310 4.057 1.00 11.35 H new ATOM 0 HD13 LEU A 63 10.807 -31.668 3.715 1.00 11.35 H new ATOM 0 HD21 LEU A 63 11.697 -31.699 6.665 1.00 75.43 H new ATOM 0 HD22 LEU A 63 12.587 -30.859 5.373 1.00 75.43 H new ATOM 0 HD23 LEU A 63 12.062 -29.964 6.818 1.00 75.43 H new ATOM 946 N ALA A 64 8.602 -30.330 2.219 1.00 12.52 N ATOM 947 CA ALA A 64 8.566 -31.022 0.937 1.00 21.33 C ATOM 948 C ALA A 64 8.546 -30.032 -0.222 1.00 12.42 C ATOM 949 O ALA A 64 9.342 -30.137 -1.156 1.00 12.31 O ATOM 950 CB ALA A 64 7.357 -31.943 0.868 1.00 32.14 C ATOM 0 H ALA A 64 7.924 -30.670 2.901 1.00 12.52 H new ATOM 0 HA ALA A 64 9.472 -31.622 0.851 1.00 21.33 H new ATOM 0 HB1 ALA A 64 7.343 -32.453 -0.095 1.00 32.14 H new ATOM 0 HB2 ALA A 64 7.415 -32.680 1.669 1.00 32.14 H new ATOM 0 HB3 ALA A 64 6.446 -31.356 0.981 1.00 32.14 H new ATOM 956 N LEU A 65 7.631 -29.071 -0.156 1.00 41.53 N ATOM 957 CA LEU A 65 7.506 -28.060 -1.201 1.00 65.44 C ATOM 958 C LEU A 65 8.487 -26.915 -0.971 1.00 15.52 C ATOM 959 O LEU A 65 8.875 -26.217 -1.909 1.00 23.50 O ATOM 960 CB LEU A 65 6.076 -27.521 -1.249 1.00 32.21 C ATOM 961 CG LEU A 65 5.828 -26.210 -0.503 1.00 53.41 C ATOM 962 CD1 LEU A 65 4.454 -25.653 -0.844 1.00 60.21 C ATOM 963 CD2 LEU A 65 5.964 -26.416 0.998 1.00 12.15 C ATOM 0 H LEU A 65 6.965 -28.970 0.610 1.00 41.53 H new ATOM 0 HA LEU A 65 7.742 -28.529 -2.156 1.00 65.44 H new ATOM 0 HB2 LEU A 65 5.797 -27.380 -2.293 1.00 32.21 H new ATOM 0 HB3 LEU A 65 5.409 -28.280 -0.840 1.00 32.21 H new ATOM 0 HG LEU A 65 6.580 -25.487 -0.820 1.00 53.41 H new ATOM 0 HD11 LEU A 65 4.295 -24.720 -0.304 1.00 60.21 H new ATOM 0 HD12 LEU A 65 4.393 -25.466 -1.916 1.00 60.21 H new ATOM 0 HD13 LEU A 65 3.688 -26.373 -0.557 1.00 60.21 H new ATOM 0 HD21 LEU A 65 5.784 -25.472 1.513 1.00 12.15 H new ATOM 0 HD22 LEU A 65 5.236 -27.155 1.331 1.00 12.15 H new ATOM 0 HD23 LEU A 65 6.970 -26.768 1.227 1.00 12.15 H new ATOM 975 N LEU A 66 8.884 -26.726 0.283 1.00 70.23 N ATOM 976 CA LEU A 66 9.821 -25.666 0.637 1.00 23.01 C ATOM 977 C LEU A 66 11.207 -25.952 0.068 1.00 42.22 C ATOM 978 O LEU A 66 11.993 -25.035 -0.171 1.00 45.13 O ATOM 979 CB LEU A 66 9.903 -25.517 2.157 1.00 34.34 C ATOM 980 CG LEU A 66 9.925 -24.085 2.691 1.00 14.34 C ATOM 981 CD1 LEU A 66 10.885 -23.228 1.881 1.00 14.32 C ATOM 982 CD2 LEU A 66 8.526 -23.486 2.671 1.00 35.41 C ATOM 0 H LEU A 66 8.571 -27.293 1.071 1.00 70.23 H new ATOM 0 HA LEU A 66 9.456 -24.734 0.206 1.00 23.01 H new ATOM 0 HB2 LEU A 66 9.052 -26.035 2.599 1.00 34.34 H new ATOM 0 HB3 LEU A 66 10.802 -26.027 2.504 1.00 34.34 H new ATOM 0 HG LEU A 66 10.274 -24.108 3.723 1.00 14.34 H new ATOM 0 HD11 LEU A 66 10.887 -22.212 2.276 1.00 14.32 H new ATOM 0 HD12 LEU A 66 11.890 -23.645 1.947 1.00 14.32 H new ATOM 0 HD13 LEU A 66 10.567 -23.212 0.839 1.00 14.32 H new ATOM 0 HD21 LEU A 66 8.561 -22.466 3.055 1.00 35.41 H new ATOM 0 HD22 LEU A 66 8.149 -23.476 1.648 1.00 35.41 H new ATOM 0 HD23 LEU A 66 7.864 -24.086 3.296 1.00 35.41 H new ATOM 994 N LYS A 67 11.500 -27.229 -0.149 1.00 60.53 N ATOM 995 CA LYS A 67 12.789 -27.638 -0.694 1.00 45.41 C ATOM 996 C LYS A 67 12.943 -27.168 -2.137 1.00 64.43 C ATOM 997 O LYS A 67 14.051 -26.883 -2.591 1.00 41.20 O ATOM 998 CB LYS A 67 12.938 -29.159 -0.623 1.00 20.03 C ATOM 999 CG LYS A 67 13.853 -29.629 0.495 1.00 71.01 C ATOM 1000 CD LYS A 67 13.125 -29.679 1.828 1.00 41.42 C ATOM 1001 CE LYS A 67 14.054 -30.105 2.955 1.00 53.35 C ATOM 1002 NZ LYS A 67 13.943 -31.561 3.244 1.00 72.32 N ATOM 0 H LYS A 67 10.861 -28.000 0.045 1.00 60.53 H new ATOM 0 HA LYS A 67 13.572 -27.175 -0.094 1.00 45.41 H new ATOM 0 HB2 LYS A 67 11.953 -29.606 -0.487 1.00 20.03 H new ATOM 0 HB3 LYS A 67 13.325 -29.523 -1.575 1.00 20.03 H new ATOM 0 HG2 LYS A 67 14.243 -30.618 0.255 1.00 71.01 H new ATOM 0 HG3 LYS A 67 14.709 -28.959 0.572 1.00 71.01 H new ATOM 0 HD2 LYS A 67 12.706 -28.698 2.052 1.00 41.42 H new ATOM 0 HD3 LYS A 67 12.289 -30.375 1.761 1.00 41.42 H new ATOM 0 HE2 LYS A 67 15.083 -29.865 2.688 1.00 53.35 H new ATOM 0 HE3 LYS A 67 13.818 -29.537 3.855 1.00 53.35 H new ATOM 0 HZ1 LYS A 67 14.540 -31.799 4.061 1.00 72.32 H new ATOM 0 HZ2 LYS A 67 12.953 -31.798 3.458 1.00 72.32 H new ATOM 0 HZ3 LYS A 67 14.258 -32.104 2.415 1.00 72.32 H new ATOM 1016 N GLN A 68 11.825 -27.090 -2.852 1.00 24.32 N ATOM 1017 CA GLN A 68 11.838 -26.655 -4.243 1.00 53.33 C ATOM 1018 C GLN A 68 11.754 -25.135 -4.339 1.00 12.13 C ATOM 1019 O GLN A 68 12.157 -24.543 -5.340 1.00 70.15 O ATOM 1020 CB GLN A 68 10.676 -27.290 -5.009 1.00 60.50 C ATOM 1021 CG GLN A 68 9.394 -26.475 -4.957 1.00 22.02 C ATOM 1022 CD GLN A 68 8.152 -27.343 -4.922 1.00 55.31 C ATOM 1023 OE1 GLN A 68 7.103 -26.849 -4.274 1.00 42.43 O flip ATOM 1024 NE2 GLN A 68 8.134 -28.445 -5.471 1.00 74.32 N flip ATOM 0 H GLN A 68 10.900 -27.322 -2.491 1.00 24.32 H new ATOM 0 HA GLN A 68 12.779 -26.978 -4.689 1.00 53.33 H new ATOM 0 HB2 GLN A 68 10.969 -27.425 -6.050 1.00 60.50 H new ATOM 0 HB3 GLN A 68 10.482 -28.282 -4.601 1.00 60.50 H new ATOM 0 HG2 GLN A 68 9.410 -25.835 -4.075 1.00 22.02 H new ATOM 0 HG3 GLN A 68 9.350 -25.819 -5.826 1.00 22.02 H new ATOM 0 HE21 GLN A 68 8.963 -28.786 -5.958 1.00 74.32 H new ATOM 0 HE22 GLN A 68 7.290 -29.017 -5.439 1.00 74.32 H new ATOM 1033 N ILE A 69 11.228 -24.509 -3.291 1.00 73.40 N ATOM 1034 CA ILE A 69 11.092 -23.059 -3.257 1.00 51.41 C ATOM 1035 C ILE A 69 12.457 -22.378 -3.272 1.00 74.21 C ATOM 1036 O ILE A 69 12.601 -21.263 -3.773 1.00 5.21 O ATOM 1037 CB ILE A 69 10.313 -22.595 -2.012 1.00 4.12 C ATOM 1038 CG1 ILE A 69 8.837 -22.979 -2.134 1.00 24.20 C ATOM 1039 CG2 ILE A 69 10.461 -21.093 -1.824 1.00 3.54 C ATOM 1040 CD1 ILE A 69 8.065 -22.830 -0.842 1.00 2.02 C ATOM 0 H ILE A 69 10.889 -24.984 -2.454 1.00 73.40 H new ATOM 0 HA ILE A 69 10.536 -22.774 -4.150 1.00 51.41 H new ATOM 0 HB ILE A 69 10.727 -23.094 -1.136 1.00 4.12 H new ATOM 0 HG12 ILE A 69 8.371 -22.359 -2.900 1.00 24.20 H new ATOM 0 HG13 ILE A 69 8.766 -24.012 -2.473 1.00 24.20 H new ATOM 0 HG21 ILE A 69 9.905 -20.780 -0.940 1.00 3.54 H new ATOM 0 HG22 ILE A 69 11.515 -20.844 -1.697 1.00 3.54 H new ATOM 0 HG23 ILE A 69 10.070 -20.576 -2.700 1.00 3.54 H new ATOM 0 HD11 ILE A 69 7.027 -23.120 -1.003 1.00 2.02 H new ATOM 0 HD12 ILE A 69 8.506 -23.471 -0.079 1.00 2.02 H new ATOM 0 HD13 ILE A 69 8.105 -21.792 -0.512 1.00 2.02 H new ATOM 1052 N LYS A 70 13.457 -23.058 -2.721 1.00 75.12 N ATOM 1053 CA LYS A 70 14.812 -22.522 -2.673 1.00 73.21 C ATOM 1054 C LYS A 70 15.469 -22.581 -4.048 1.00 62.12 C ATOM 1055 O LYS A 70 16.225 -21.685 -4.423 1.00 24.33 O ATOM 1056 CB LYS A 70 15.654 -23.300 -1.660 1.00 21.04 C ATOM 1057 CG LYS A 70 15.838 -22.575 -0.338 1.00 0.03 C ATOM 1058 CD LYS A 70 14.527 -22.459 0.422 1.00 22.41 C ATOM 1059 CE LYS A 70 14.291 -21.039 0.914 1.00 61.55 C ATOM 1060 NZ LYS A 70 14.228 -20.066 -0.212 1.00 32.41 N ATOM 0 H LYS A 70 13.354 -23.982 -2.301 1.00 75.12 H new ATOM 0 HA LYS A 70 14.753 -21.479 -2.362 1.00 73.21 H new ATOM 0 HB2 LYS A 70 15.183 -24.265 -1.473 1.00 21.04 H new ATOM 0 HB3 LYS A 70 16.633 -23.502 -2.093 1.00 21.04 H new ATOM 0 HG2 LYS A 70 16.567 -23.108 0.272 1.00 0.03 H new ATOM 0 HG3 LYS A 70 16.243 -21.580 -0.521 1.00 0.03 H new ATOM 0 HD2 LYS A 70 13.703 -22.763 -0.224 1.00 22.41 H new ATOM 0 HD3 LYS A 70 14.536 -23.143 1.271 1.00 22.41 H new ATOM 0 HE2 LYS A 70 13.360 -21.001 1.480 1.00 61.55 H new ATOM 0 HE3 LYS A 70 15.091 -20.753 1.597 1.00 61.55 H new ATOM 0 HZ1 LYS A 70 13.852 -19.160 0.133 1.00 32.41 H new ATOM 0 HZ2 LYS A 70 15.182 -19.920 -0.599 1.00 32.41 H new ATOM 0 HZ3 LYS A 70 13.605 -20.438 -0.958 1.00 32.41 H new ATOM 1074 N GLN A 71 15.174 -23.640 -4.795 1.00 64.22 N ATOM 1075 CA GLN A 71 15.737 -23.814 -6.129 1.00 41.01 C ATOM 1076 C GLN A 71 14.977 -22.978 -7.154 1.00 31.52 C ATOM 1077 O GLN A 71 15.575 -22.225 -7.922 1.00 64.51 O ATOM 1078 CB GLN A 71 15.704 -25.289 -6.531 1.00 63.52 C ATOM 1079 CG GLN A 71 16.396 -25.575 -7.854 1.00 72.05 C ATOM 1080 CD GLN A 71 15.882 -26.836 -8.521 1.00 42.23 C ATOM 1081 OE1 GLN A 71 14.718 -27.205 -8.364 1.00 51.34 O ATOM 1082 NE2 GLN A 71 16.750 -27.505 -9.271 1.00 40.13 N ATOM 0 H GLN A 71 14.549 -24.390 -4.500 1.00 64.22 H new ATOM 0 HA GLN A 71 16.772 -23.474 -6.106 1.00 41.01 H new ATOM 0 HB2 GLN A 71 16.177 -25.881 -5.748 1.00 63.52 H new ATOM 0 HB3 GLN A 71 14.666 -25.616 -6.595 1.00 63.52 H new ATOM 0 HG2 GLN A 71 16.252 -24.729 -8.526 1.00 72.05 H new ATOM 0 HG3 GLN A 71 17.469 -25.669 -7.686 1.00 72.05 H new ATOM 0 HE21 GLN A 71 17.705 -27.163 -9.374 1.00 40.13 H new ATOM 0 HE22 GLN A 71 16.461 -28.361 -9.745 1.00 40.13 H new ATOM 1091 N ARG A 72 13.655 -23.117 -7.159 1.00 61.04 N ATOM 1092 CA ARG A 72 12.813 -22.376 -8.091 1.00 22.11 C ATOM 1093 C ARG A 72 12.767 -20.896 -7.723 1.00 32.04 C ATOM 1094 O ARG A 72 12.527 -20.040 -8.575 1.00 71.42 O ATOM 1095 CB ARG A 72 11.397 -22.954 -8.102 1.00 60.44 C ATOM 1096 CG ARG A 72 10.831 -23.152 -9.499 1.00 41.12 C ATOM 1097 CD ARG A 72 9.825 -22.067 -9.851 1.00 63.03 C ATOM 1098 NE ARG A 72 9.231 -22.278 -11.169 1.00 24.03 N ATOM 1099 CZ ARG A 72 9.855 -22.001 -12.309 1.00 15.23 C ATOM 1100 NH1 ARG A 72 11.084 -21.505 -12.292 1.00 51.54 N ATOM 1101 NH2 ARG A 72 9.248 -22.220 -13.468 1.00 71.52 N ATOM 0 H ARG A 72 13.144 -23.735 -6.529 1.00 61.04 H new ATOM 0 HA ARG A 72 13.245 -22.472 -9.087 1.00 22.11 H new ATOM 0 HB2 ARG A 72 11.400 -23.912 -7.581 1.00 60.44 H new ATOM 0 HB3 ARG A 72 10.738 -22.290 -7.543 1.00 60.44 H new ATOM 0 HG2 ARG A 72 11.643 -23.147 -10.226 1.00 41.12 H new ATOM 0 HG3 ARG A 72 10.352 -24.129 -9.564 1.00 41.12 H new ATOM 0 HD2 ARG A 72 9.037 -22.045 -9.098 1.00 63.03 H new ATOM 0 HD3 ARG A 72 10.317 -21.095 -9.827 1.00 63.03 H new ATOM 0 HE ARG A 72 8.286 -22.659 -11.217 1.00 24.03 H new ATOM 0 HH11 ARG A 72 11.553 -21.335 -11.402 1.00 51.54 H new ATOM 0 HH12 ARG A 72 11.561 -21.293 -13.169 1.00 51.54 H new ATOM 0 HH21 ARG A 72 8.302 -22.601 -13.484 1.00 71.52 H new ATOM 0 HH22 ARG A 72 9.727 -22.007 -14.343 1.00 71.52 H new ATOM 1115 N HIS A 73 12.997 -20.601 -6.447 1.00 65.41 N ATOM 1116 CA HIS A 73 12.982 -19.225 -5.966 1.00 1.44 C ATOM 1117 C HIS A 73 14.017 -19.023 -4.862 1.00 74.24 C ATOM 1118 O HIS A 73 13.686 -18.909 -3.682 1.00 5.12 O ATOM 1119 CB HIS A 73 11.590 -18.858 -5.449 1.00 25.21 C ATOM 1120 CG HIS A 73 10.480 -19.317 -6.343 1.00 33.02 C ATOM 1121 ND1 HIS A 73 10.149 -18.679 -7.520 1.00 34.33 N ATOM 1122 CD2 HIS A 73 9.623 -20.359 -6.227 1.00 41.32 C ATOM 1123 CE1 HIS A 73 9.135 -19.308 -8.088 1.00 43.34 C ATOM 1124 NE2 HIS A 73 8.798 -20.331 -7.324 1.00 52.13 N ATOM 0 H HIS A 73 13.196 -21.297 -5.728 1.00 65.41 H new ATOM 0 HA HIS A 73 13.235 -18.572 -6.801 1.00 1.44 H new ATOM 0 HB2 HIS A 73 11.452 -19.294 -4.459 1.00 25.21 H new ATOM 0 HB3 HIS A 73 11.528 -17.776 -5.333 1.00 25.21 H new ATOM 0 HD2 HIS A 73 9.594 -21.078 -5.422 1.00 41.32 H new ATOM 0 HE1 HIS A 73 8.662 -19.032 -9.019 1.00 43.34 H new ATOM 0 HE2 HIS A 73 8.047 -20.993 -7.518 1.00 52.13 H new ATOM 1132 N PRO A 74 15.299 -18.979 -5.254 1.00 32.44 N ATOM 1133 CA PRO A 74 16.407 -18.792 -4.313 1.00 24.11 C ATOM 1134 C PRO A 74 16.437 -17.386 -3.724 1.00 52.22 C ATOM 1135 O PRO A 74 16.784 -17.198 -2.559 1.00 31.25 O ATOM 1136 CB PRO A 74 17.649 -19.037 -5.174 1.00 72.33 C ATOM 1137 CG PRO A 74 17.215 -18.718 -6.563 1.00 70.34 C ATOM 1138 CD PRO A 74 15.765 -19.109 -6.644 1.00 41.33 C ATOM 0 HA PRO A 74 16.328 -19.458 -3.454 1.00 24.11 H new ATOM 0 HB2 PRO A 74 18.478 -18.402 -4.863 1.00 72.33 H new ATOM 0 HB3 PRO A 74 17.990 -20.069 -5.093 1.00 72.33 H new ATOM 0 HG2 PRO A 74 17.346 -17.658 -6.779 1.00 70.34 H new ATOM 0 HG3 PRO A 74 17.809 -19.268 -7.293 1.00 70.34 H new ATOM 0 HD2 PRO A 74 15.210 -18.456 -7.317 1.00 41.33 H new ATOM 0 HD3 PRO A 74 15.643 -20.127 -7.015 1.00 41.33 H new ATOM 1146 N MET A 75 16.070 -16.401 -4.538 1.00 0.04 N ATOM 1147 CA MET A 75 16.053 -15.011 -4.095 1.00 61.45 C ATOM 1148 C MET A 75 14.768 -14.698 -3.335 1.00 24.51 C ATOM 1149 O MET A 75 14.557 -13.569 -2.892 1.00 12.21 O ATOM 1150 CB MET A 75 16.192 -14.071 -5.294 1.00 40.20 C ATOM 1151 CG MET A 75 15.029 -14.153 -6.269 1.00 72.11 C ATOM 1152 SD MET A 75 14.324 -12.537 -6.648 1.00 20.24 S ATOM 1153 CE MET A 75 13.144 -12.361 -5.312 1.00 21.24 C ATOM 0 H MET A 75 15.781 -16.539 -5.506 1.00 0.04 H new ATOM 0 HA MET A 75 16.897 -14.859 -3.423 1.00 61.45 H new ATOM 0 HB2 MET A 75 16.281 -13.046 -4.933 1.00 40.20 H new ATOM 0 HB3 MET A 75 17.116 -14.304 -5.823 1.00 40.20 H new ATOM 0 HG2 MET A 75 15.367 -14.623 -7.193 1.00 72.11 H new ATOM 0 HG3 MET A 75 14.253 -14.794 -5.850 1.00 72.11 H new ATOM 0 HE1 MET A 75 12.278 -11.800 -5.663 1.00 21.24 H new ATOM 0 HE2 MET A 75 12.826 -13.348 -4.975 1.00 21.24 H new ATOM 0 HE3 MET A 75 13.610 -11.828 -4.483 1.00 21.24 H new ATOM 1163 N LEU A 76 13.914 -15.705 -3.187 1.00 52.42 N ATOM 1164 CA LEU A 76 12.649 -15.537 -2.480 1.00 10.51 C ATOM 1165 C LEU A 76 12.782 -15.957 -1.020 1.00 35.13 C ATOM 1166 O LEU A 76 12.913 -17.138 -0.698 1.00 23.12 O ATOM 1167 CB LEU A 76 11.549 -16.354 -3.160 1.00 42.21 C ATOM 1168 CG LEU A 76 10.284 -16.593 -2.336 1.00 14.11 C ATOM 1169 CD1 LEU A 76 9.696 -15.272 -1.864 1.00 41.35 C ATOM 1170 CD2 LEU A 76 9.260 -17.375 -3.146 1.00 31.35 C ATOM 0 H LEU A 76 14.074 -16.646 -3.547 1.00 52.42 H new ATOM 0 HA LEU A 76 12.380 -14.481 -2.512 1.00 10.51 H new ATOM 0 HB2 LEU A 76 11.267 -15.848 -4.083 1.00 42.21 H new ATOM 0 HB3 LEU A 76 11.964 -17.322 -3.441 1.00 42.21 H new ATOM 0 HG LEU A 76 10.551 -17.182 -1.459 1.00 14.11 H new ATOM 0 HD11 LEU A 76 8.796 -15.463 -1.279 1.00 41.35 H new ATOM 0 HD12 LEU A 76 10.426 -14.749 -1.247 1.00 41.35 H new ATOM 0 HD13 LEU A 76 9.444 -14.657 -2.728 1.00 41.35 H new ATOM 0 HD21 LEU A 76 8.366 -17.536 -2.544 1.00 31.35 H new ATOM 0 HD22 LEU A 76 8.998 -16.812 -4.042 1.00 31.35 H new ATOM 0 HD23 LEU A 76 9.682 -18.338 -3.434 1.00 31.35 H new ATOM 1182 N PRO A 77 12.744 -14.969 -0.113 1.00 71.14 N ATOM 1183 CA PRO A 77 12.855 -15.212 1.328 1.00 65.31 C ATOM 1184 C PRO A 77 11.625 -15.912 1.895 1.00 54.43 C ATOM 1185 O PRO A 77 10.510 -15.395 1.809 1.00 24.23 O ATOM 1186 CB PRO A 77 12.989 -13.805 1.916 1.00 63.42 C ATOM 1187 CG PRO A 77 12.334 -12.914 0.918 1.00 32.02 C ATOM 1188 CD PRO A 77 12.589 -13.538 -0.426 1.00 21.42 C ATOM 0 HA PRO A 77 13.691 -15.870 1.567 1.00 65.31 H new ATOM 0 HB2 PRO A 77 12.503 -13.735 2.889 1.00 63.42 H new ATOM 0 HB3 PRO A 77 14.035 -13.535 2.062 1.00 63.42 H new ATOM 0 HG2 PRO A 77 11.265 -12.830 1.113 1.00 32.02 H new ATOM 0 HG3 PRO A 77 12.747 -11.906 0.965 1.00 32.02 H new ATOM 0 HD2 PRO A 77 11.761 -13.364 -1.113 1.00 21.42 H new ATOM 0 HD3 PRO A 77 13.484 -13.130 -0.895 1.00 21.42 H new ATOM 1196 N VAL A 78 11.833 -17.090 2.474 1.00 2.43 N ATOM 1197 CA VAL A 78 10.740 -17.859 3.057 1.00 65.11 C ATOM 1198 C VAL A 78 10.909 -17.998 4.566 1.00 43.23 C ATOM 1199 O VAL A 78 12.002 -17.800 5.099 1.00 74.42 O ATOM 1200 CB VAL A 78 10.647 -19.263 2.431 1.00 75.23 C ATOM 1201 CG1 VAL A 78 9.308 -19.907 2.760 1.00 3.34 C ATOM 1202 CG2 VAL A 78 10.856 -19.190 0.926 1.00 51.03 C ATOM 0 H VAL A 78 12.749 -17.533 2.552 1.00 2.43 H new ATOM 0 HA VAL A 78 9.821 -17.313 2.846 1.00 65.11 H new ATOM 0 HB VAL A 78 11.436 -19.884 2.855 1.00 75.23 H new ATOM 0 HG11 VAL A 78 9.261 -20.898 2.309 1.00 3.34 H new ATOM 0 HG12 VAL A 78 9.202 -19.995 3.841 1.00 3.34 H new ATOM 0 HG13 VAL A 78 8.501 -19.290 2.365 1.00 3.34 H new ATOM 0 HG21 VAL A 78 10.787 -20.191 0.500 1.00 51.03 H new ATOM 0 HG22 VAL A 78 10.090 -18.553 0.483 1.00 51.03 H new ATOM 0 HG23 VAL A 78 11.841 -18.773 0.715 1.00 51.03 H new ATOM 1212 N ILE A 79 9.822 -18.339 5.248 1.00 14.13 N ATOM 1213 CA ILE A 79 9.850 -18.506 6.696 1.00 11.30 C ATOM 1214 C ILE A 79 9.098 -19.763 7.119 1.00 12.24 C ATOM 1215 O ILE A 79 8.010 -20.047 6.616 1.00 45.20 O ATOM 1216 CB ILE A 79 9.238 -17.289 7.415 1.00 4.30 C ATOM 1217 CG1 ILE A 79 9.756 -15.989 6.794 1.00 33.35 C ATOM 1218 CG2 ILE A 79 9.558 -17.336 8.902 1.00 60.03 C ATOM 1219 CD1 ILE A 79 9.195 -14.744 7.445 1.00 3.11 C ATOM 0 H ILE A 79 8.910 -18.505 4.822 1.00 14.13 H new ATOM 0 HA ILE A 79 10.898 -18.598 6.983 1.00 11.30 H new ATOM 0 HB ILE A 79 8.155 -17.321 7.295 1.00 4.30 H new ATOM 0 HG12 ILE A 79 10.843 -15.969 6.867 1.00 33.35 H new ATOM 0 HG13 ILE A 79 9.507 -15.978 5.733 1.00 33.35 H new ATOM 0 HG21 ILE A 79 9.119 -16.469 9.396 1.00 60.03 H new ATOM 0 HG22 ILE A 79 9.146 -18.248 9.334 1.00 60.03 H new ATOM 0 HG23 ILE A 79 10.639 -17.324 9.042 1.00 60.03 H new ATOM 0 HD11 ILE A 79 9.605 -13.861 6.955 1.00 3.11 H new ATOM 0 HD12 ILE A 79 8.109 -14.741 7.349 1.00 3.11 H new ATOM 0 HD13 ILE A 79 9.466 -14.732 8.501 1.00 3.11 H new ATOM 1231 N ILE A 80 9.683 -20.511 8.048 1.00 21.13 N ATOM 1232 CA ILE A 80 9.067 -21.736 8.542 1.00 73.44 C ATOM 1233 C ILE A 80 8.402 -21.511 9.895 1.00 15.21 C ATOM 1234 O ILE A 80 8.927 -20.792 10.744 1.00 4.22 O ATOM 1235 CB ILE A 80 10.098 -22.872 8.672 1.00 23.52 C ATOM 1236 CG1 ILE A 80 10.562 -23.331 7.288 1.00 21.32 C ATOM 1237 CG2 ILE A 80 9.507 -24.038 9.452 1.00 43.51 C ATOM 1238 CD1 ILE A 80 9.582 -24.253 6.597 1.00 14.11 C ATOM 0 H ILE A 80 10.583 -20.290 8.474 1.00 21.13 H new ATOM 0 HA ILE A 80 8.311 -22.025 7.812 1.00 73.44 H new ATOM 0 HB ILE A 80 10.963 -22.496 9.218 1.00 23.52 H new ATOM 0 HG12 ILE A 80 10.729 -22.455 6.661 1.00 21.32 H new ATOM 0 HG13 ILE A 80 11.521 -23.840 7.386 1.00 21.32 H new ATOM 0 HG21 ILE A 80 10.248 -24.833 9.535 1.00 43.51 H new ATOM 0 HG22 ILE A 80 9.222 -23.702 10.449 1.00 43.51 H new ATOM 0 HG23 ILE A 80 8.627 -24.415 8.931 1.00 43.51 H new ATOM 0 HD11 ILE A 80 9.976 -24.538 5.622 1.00 14.11 H new ATOM 0 HD12 ILE A 80 9.433 -25.146 7.203 1.00 14.11 H new ATOM 0 HD13 ILE A 80 8.629 -23.740 6.467 1.00 14.11 H new ATOM 1250 N MET A 81 7.243 -22.132 10.090 1.00 54.35 N ATOM 1251 CA MET A 81 6.507 -22.001 11.342 1.00 52.02 C ATOM 1252 C MET A 81 6.209 -23.371 11.943 1.00 40.11 C ATOM 1253 O MET A 81 5.661 -24.248 11.275 1.00 72.23 O ATOM 1254 CB MET A 81 5.201 -21.237 11.114 1.00 43.44 C ATOM 1255 CG MET A 81 5.401 -19.869 10.480 1.00 34.14 C ATOM 1256 SD MET A 81 3.850 -18.981 10.244 1.00 55.42 S ATOM 1257 CE MET A 81 2.891 -20.204 9.353 1.00 43.45 C ATOM 0 H MET A 81 6.794 -22.731 9.397 1.00 54.35 H new ATOM 0 HA MET A 81 7.128 -21.443 12.043 1.00 52.02 H new ATOM 0 HB2 MET A 81 4.548 -21.832 10.476 1.00 43.44 H new ATOM 0 HB3 MET A 81 4.689 -21.115 12.069 1.00 43.44 H new ATOM 0 HG2 MET A 81 6.064 -19.275 11.109 1.00 34.14 H new ATOM 0 HG3 MET A 81 5.897 -19.988 9.517 1.00 34.14 H new ATOM 0 HE1 MET A 81 2.273 -19.707 8.605 1.00 43.45 H new ATOM 0 HE2 MET A 81 3.564 -20.905 8.860 1.00 43.45 H new ATOM 0 HE3 MET A 81 2.252 -20.745 10.051 1.00 43.45 H new ATOM 1267 N THR A 82 6.574 -23.549 13.209 1.00 40.11 N ATOM 1268 CA THR A 82 6.347 -24.812 13.899 1.00 24.32 C ATOM 1269 C THR A 82 6.811 -24.737 15.349 1.00 24.43 C ATOM 1270 O THR A 82 6.018 -24.907 16.274 1.00 13.34 O ATOM 1271 CB THR A 82 7.076 -25.974 13.198 1.00 22.22 C ATOM 1272 OG1 THR A 82 7.271 -27.056 14.116 1.00 13.45 O ATOM 1273 CG2 THR A 82 8.421 -25.518 12.652 1.00 73.44 C ATOM 0 H THR A 82 7.028 -22.834 13.777 1.00 40.11 H new ATOM 0 HA THR A 82 5.273 -24.998 13.873 1.00 24.32 H new ATOM 0 HB THR A 82 6.458 -26.311 12.366 1.00 22.22 H new ATOM 0 HG1 THR A 82 8.130 -26.945 14.575 1.00 13.45 H new ATOM 0 HG21 THR A 82 8.917 -26.355 12.161 1.00 73.44 H new ATOM 0 HG22 THR A 82 8.268 -24.714 11.932 1.00 73.44 H new ATOM 0 HG23 THR A 82 9.043 -25.157 13.471 1.00 73.44 H new ATOM 1281 N ALA A 83 8.102 -24.482 15.540 1.00 15.05 N ATOM 1282 CA ALA A 83 8.670 -24.382 16.879 1.00 44.12 C ATOM 1283 C ALA A 83 8.872 -25.762 17.494 1.00 35.44 C ATOM 1284 O ALA A 83 9.997 -26.162 17.793 1.00 24.01 O ATOM 1285 CB ALA A 83 7.778 -23.530 17.769 1.00 1.31 C ATOM 0 H ALA A 83 8.773 -24.341 14.785 1.00 15.05 H new ATOM 0 HA ALA A 83 9.646 -23.903 16.798 1.00 44.12 H new ATOM 0 HB1 ALA A 83 8.215 -23.464 18.766 1.00 1.31 H new ATOM 0 HB2 ALA A 83 7.690 -22.530 17.345 1.00 1.31 H new ATOM 0 HB3 ALA A 83 6.790 -23.985 17.835 1.00 1.31 H new ATOM 1291 N HIS A 84 7.773 -26.487 17.683 1.00 62.24 N ATOM 1292 CA HIS A 84 7.830 -27.824 18.263 1.00 14.04 C ATOM 1293 C HIS A 84 8.671 -28.757 17.398 1.00 21.21 C ATOM 1294 O HIS A 84 9.432 -28.307 16.542 1.00 64.32 O ATOM 1295 CB HIS A 84 6.420 -28.393 18.425 1.00 14.41 C ATOM 1296 CG HIS A 84 5.776 -28.775 17.128 1.00 32.51 C ATOM 1297 ND1 HIS A 84 5.525 -30.083 16.770 1.00 71.15 N ATOM 1298 CD2 HIS A 84 5.329 -28.013 16.102 1.00 23.45 C ATOM 1299 CE1 HIS A 84 4.954 -30.109 15.579 1.00 54.13 C ATOM 1300 NE2 HIS A 84 4.823 -28.866 15.152 1.00 1.41 N ATOM 0 H HIS A 84 6.833 -26.171 17.443 1.00 62.24 H new ATOM 0 HA HIS A 84 8.298 -27.747 19.244 1.00 14.04 H new ATOM 0 HB2 HIS A 84 6.463 -29.269 19.072 1.00 14.41 H new ATOM 0 HB3 HIS A 84 5.795 -27.655 18.928 1.00 14.41 H new ATOM 0 HD2 HIS A 84 5.364 -26.935 16.042 1.00 23.45 H new ATOM 0 HE1 HIS A 84 4.647 -30.996 15.045 1.00 54.13 H new ATOM 0 HE2 HIS A 84 4.413 -28.585 14.261 1.00 1.41 H new ATOM 1308 N SER A 85 8.529 -30.059 17.628 1.00 0.44 N ATOM 1309 CA SER A 85 9.280 -31.055 16.873 1.00 15.11 C ATOM 1310 C SER A 85 9.215 -30.765 15.377 1.00 54.43 C ATOM 1311 O SER A 85 8.276 -31.175 14.694 1.00 40.12 O ATOM 1312 CB SER A 85 8.736 -32.457 17.156 1.00 14.53 C ATOM 1313 OG SER A 85 7.346 -32.418 17.433 1.00 63.23 O ATOM 0 H SER A 85 7.901 -30.448 18.331 1.00 0.44 H new ATOM 0 HA SER A 85 10.322 -31.006 17.190 1.00 15.11 H new ATOM 0 HB2 SER A 85 8.921 -33.103 16.297 1.00 14.53 H new ATOM 0 HB3 SER A 85 9.267 -32.893 18.003 1.00 14.53 H new ATOM 0 HG SER A 85 6.946 -31.640 16.991 1.00 63.23 H new ATOM 1319 N ASP A 86 10.219 -30.054 14.874 1.00 34.44 N ATOM 1320 CA ASP A 86 10.278 -29.709 13.459 1.00 54.02 C ATOM 1321 C ASP A 86 11.424 -28.741 13.183 1.00 13.31 C ATOM 1322 O ASP A 86 12.021 -28.760 12.106 1.00 3.21 O ATOM 1323 CB ASP A 86 8.953 -29.093 13.007 1.00 51.44 C ATOM 1324 CG ASP A 86 8.295 -29.885 11.894 1.00 23.42 C ATOM 1325 OD1 ASP A 86 8.955 -30.113 10.859 1.00 72.22 O ATOM 1326 OD2 ASP A 86 7.121 -30.277 12.059 1.00 72.43 O ATOM 0 H ASP A 86 11.003 -29.706 15.426 1.00 34.44 H new ATOM 0 HA ASP A 86 10.456 -30.624 12.894 1.00 54.02 H new ATOM 0 HB2 ASP A 86 8.274 -29.035 13.858 1.00 51.44 H new ATOM 0 HB3 ASP A 86 9.128 -28.072 12.668 1.00 51.44 H new ATOM 1331 N LEU A 87 11.725 -27.895 14.162 1.00 51.42 N ATOM 1332 CA LEU A 87 12.799 -26.917 14.025 1.00 62.22 C ATOM 1333 C LEU A 87 14.160 -27.605 13.994 1.00 4.12 C ATOM 1334 O LEU A 87 15.026 -27.254 13.192 1.00 22.32 O ATOM 1335 CB LEU A 87 12.749 -25.911 15.175 1.00 4.45 C ATOM 1336 CG LEU A 87 12.369 -24.478 14.798 1.00 25.33 C ATOM 1337 CD1 LEU A 87 11.146 -24.471 13.895 1.00 41.22 C ATOM 1338 CD2 LEU A 87 12.117 -23.647 16.048 1.00 42.25 C ATOM 0 H LEU A 87 11.241 -27.866 15.059 1.00 51.42 H new ATOM 0 HA LEU A 87 12.658 -26.388 13.082 1.00 62.22 H new ATOM 0 HB2 LEU A 87 12.036 -26.272 15.916 1.00 4.45 H new ATOM 0 HB3 LEU A 87 13.727 -25.892 15.657 1.00 4.45 H new ATOM 0 HG LEU A 87 13.201 -24.033 14.252 1.00 25.33 H new ATOM 0 HD11 LEU A 87 10.890 -23.443 13.637 1.00 41.22 H new ATOM 0 HD12 LEU A 87 11.362 -25.031 12.985 1.00 41.22 H new ATOM 0 HD13 LEU A 87 10.307 -24.934 14.415 1.00 41.22 H new ATOM 0 HD21 LEU A 87 11.848 -22.630 15.761 1.00 42.25 H new ATOM 0 HD22 LEU A 87 11.303 -24.090 16.621 1.00 42.25 H new ATOM 0 HD23 LEU A 87 13.020 -23.625 16.658 1.00 42.25 H new ATOM 1350 N ASP A 88 14.341 -28.586 14.871 1.00 63.41 N ATOM 1351 CA ASP A 88 15.596 -29.326 14.942 1.00 30.14 C ATOM 1352 C ASP A 88 16.040 -29.778 13.555 1.00 70.42 C ATOM 1353 O ASP A 88 17.235 -29.867 13.273 1.00 75.41 O ATOM 1354 CB ASP A 88 15.447 -30.538 15.864 1.00 54.32 C ATOM 1355 CG ASP A 88 16.671 -30.762 16.729 1.00 44.13 C ATOM 1356 OD1 ASP A 88 17.774 -30.347 16.314 1.00 13.45 O ATOM 1357 OD2 ASP A 88 16.528 -31.353 17.819 1.00 31.44 O ATOM 0 H ASP A 88 13.635 -28.887 15.543 1.00 63.41 H new ATOM 0 HA ASP A 88 16.358 -28.661 15.349 1.00 30.14 H new ATOM 0 HB2 ASP A 88 14.575 -30.400 16.503 1.00 54.32 H new ATOM 0 HB3 ASP A 88 15.263 -31.428 15.262 1.00 54.32 H new ATOM 1362 N ALA A 89 15.070 -30.064 12.692 1.00 12.15 N ATOM 1363 CA ALA A 89 15.361 -30.506 11.334 1.00 34.14 C ATOM 1364 C ALA A 89 15.540 -29.317 10.397 1.00 65.24 C ATOM 1365 O ALA A 89 16.389 -29.340 9.506 1.00 71.34 O ATOM 1366 CB ALA A 89 14.253 -31.418 10.828 1.00 51.24 C ATOM 0 H ALA A 89 14.076 -29.997 12.910 1.00 12.15 H new ATOM 0 HA ALA A 89 16.297 -31.065 11.352 1.00 34.14 H new ATOM 0 HB1 ALA A 89 14.483 -31.741 9.813 1.00 51.24 H new ATOM 0 HB2 ALA A 89 14.175 -32.290 11.477 1.00 51.24 H new ATOM 0 HB3 ALA A 89 13.307 -30.877 10.831 1.00 51.24 H new ATOM 1372 N ALA A 90 14.736 -28.280 10.603 1.00 50.30 N ATOM 1373 CA ALA A 90 14.808 -27.081 9.777 1.00 73.25 C ATOM 1374 C ALA A 90 16.089 -26.302 10.050 1.00 44.31 C ATOM 1375 O ALA A 90 16.553 -25.534 9.206 1.00 24.53 O ATOM 1376 CB ALA A 90 13.591 -26.201 10.017 1.00 15.53 C ATOM 0 H ALA A 90 14.027 -28.246 11.335 1.00 50.30 H new ATOM 0 HA ALA A 90 14.818 -27.390 8.732 1.00 73.25 H new ATOM 0 HB1 ALA A 90 13.658 -25.309 9.394 1.00 15.53 H new ATOM 0 HB2 ALA A 90 12.687 -26.754 9.763 1.00 15.53 H new ATOM 0 HB3 ALA A 90 13.555 -25.908 11.066 1.00 15.53 H new ATOM 1382 N VAL A 91 16.657 -26.503 11.235 1.00 45.42 N ATOM 1383 CA VAL A 91 17.886 -25.819 11.619 1.00 4.43 C ATOM 1384 C VAL A 91 18.973 -26.009 10.567 1.00 4.25 C ATOM 1385 O VAL A 91 19.519 -25.039 10.041 1.00 12.11 O ATOM 1386 CB VAL A 91 18.408 -26.323 12.978 1.00 60.11 C ATOM 1387 CG1 VAL A 91 19.781 -25.739 13.273 1.00 12.55 C ATOM 1388 CG2 VAL A 91 17.424 -25.981 14.086 1.00 31.23 C ATOM 0 H VAL A 91 16.286 -27.134 11.945 1.00 45.42 H new ATOM 0 HA VAL A 91 17.646 -24.759 11.701 1.00 4.43 H new ATOM 0 HB VAL A 91 18.504 -27.408 12.931 1.00 60.11 H new ATOM 0 HG11 VAL A 91 20.133 -26.106 14.237 1.00 12.55 H new ATOM 0 HG12 VAL A 91 20.480 -26.040 12.493 1.00 12.55 H new ATOM 0 HG13 VAL A 91 19.715 -24.651 13.301 1.00 12.55 H new ATOM 0 HG21 VAL A 91 17.809 -26.344 15.039 1.00 31.23 H new ATOM 0 HG22 VAL A 91 17.293 -24.900 14.136 1.00 31.23 H new ATOM 0 HG23 VAL A 91 16.464 -26.453 13.878 1.00 31.23 H new ATOM 1398 N SER A 92 19.283 -27.266 10.265 1.00 3.43 N ATOM 1399 CA SER A 92 20.308 -27.584 9.278 1.00 41.10 C ATOM 1400 C SER A 92 19.715 -27.622 7.873 1.00 64.23 C ATOM 1401 O SER A 92 20.312 -27.119 6.922 1.00 64.15 O ATOM 1402 CB SER A 92 20.961 -28.928 9.605 1.00 23.20 C ATOM 1403 OG SER A 92 22.082 -29.167 8.772 1.00 45.53 O ATOM 0 H SER A 92 18.839 -28.080 10.690 1.00 3.43 H new ATOM 0 HA SER A 92 21.066 -26.802 9.313 1.00 41.10 H new ATOM 0 HB2 SER A 92 21.271 -28.940 10.650 1.00 23.20 H new ATOM 0 HB3 SER A 92 20.233 -29.730 9.479 1.00 23.20 H new ATOM 0 HG SER A 92 22.482 -30.031 9.002 1.00 45.53 H new ATOM 1409 N ALA A 93 18.536 -28.223 7.751 1.00 63.21 N ATOM 1410 CA ALA A 93 17.861 -28.326 6.463 1.00 32.24 C ATOM 1411 C ALA A 93 17.544 -26.946 5.898 1.00 41.13 C ATOM 1412 O ALA A 93 18.040 -26.571 4.835 1.00 5.02 O ATOM 1413 CB ALA A 93 16.587 -29.148 6.600 1.00 44.23 C ATOM 0 H ALA A 93 18.029 -28.646 8.528 1.00 63.21 H new ATOM 0 HA ALA A 93 18.532 -28.829 5.767 1.00 32.24 H new ATOM 0 HB1 ALA A 93 16.093 -29.217 5.631 1.00 44.23 H new ATOM 0 HB2 ALA A 93 16.836 -30.149 6.953 1.00 44.23 H new ATOM 0 HB3 ALA A 93 15.919 -28.667 7.315 1.00 44.23 H new ATOM 1419 N TYR A 94 16.715 -26.195 6.613 1.00 13.43 N ATOM 1420 CA TYR A 94 16.329 -24.857 6.181 1.00 43.34 C ATOM 1421 C TYR A 94 17.558 -23.977 5.971 1.00 51.12 C ATOM 1422 O TYR A 94 17.496 -22.961 5.278 1.00 31.45 O ATOM 1423 CB TYR A 94 15.398 -24.214 7.209 1.00 14.24 C ATOM 1424 CG TYR A 94 14.436 -23.211 6.612 1.00 22.14 C ATOM 1425 CD1 TYR A 94 13.764 -23.483 5.427 1.00 24.42 C ATOM 1426 CD2 TYR A 94 14.199 -21.991 7.235 1.00 70.45 C ATOM 1427 CE1 TYR A 94 12.886 -22.570 4.878 1.00 52.30 C ATOM 1428 CE2 TYR A 94 13.321 -21.072 6.693 1.00 30.33 C ATOM 1429 CZ TYR A 94 12.667 -21.366 5.515 1.00 43.13 C ATOM 1430 OH TYR A 94 11.792 -20.454 4.972 1.00 52.34 O ATOM 0 H TYR A 94 16.297 -26.490 7.495 1.00 13.43 H new ATOM 0 HA TYR A 94 15.802 -24.948 5.231 1.00 43.34 H new ATOM 0 HB2 TYR A 94 14.829 -24.997 7.711 1.00 14.24 H new ATOM 0 HB3 TYR A 94 15.999 -23.719 7.971 1.00 14.24 H new ATOM 0 HD1 TYR A 94 13.931 -24.425 4.926 1.00 24.42 H new ATOM 0 HD2 TYR A 94 14.709 -21.758 8.158 1.00 70.45 H new ATOM 0 HE1 TYR A 94 12.373 -22.797 3.955 1.00 52.30 H new ATOM 0 HE2 TYR A 94 13.148 -20.129 7.189 1.00 30.33 H new ATOM 0 HH TYR A 94 10.872 -20.712 5.192 1.00 52.34 H new ATOM 1440 N GLN A 95 18.673 -24.376 6.574 1.00 42.13 N ATOM 1441 CA GLN A 95 19.917 -23.624 6.453 1.00 31.34 C ATOM 1442 C GLN A 95 20.491 -23.743 5.045 1.00 31.45 C ATOM 1443 O GLN A 95 21.560 -23.207 4.754 1.00 34.31 O ATOM 1444 CB GLN A 95 20.939 -24.121 7.477 1.00 31.33 C ATOM 1445 CG GLN A 95 21.131 -23.177 8.653 1.00 51.11 C ATOM 1446 CD GLN A 95 22.008 -21.989 8.310 1.00 53.32 C ATOM 1447 OE1 GLN A 95 22.471 -21.851 7.177 1.00 25.24 O ATOM 1448 NE2 GLN A 95 22.240 -21.122 9.288 1.00 12.34 N ATOM 0 H GLN A 95 18.741 -25.215 7.151 1.00 42.13 H new ATOM 0 HA GLN A 95 19.698 -22.574 6.648 1.00 31.34 H new ATOM 0 HB2 GLN A 95 20.622 -25.094 7.851 1.00 31.33 H new ATOM 0 HB3 GLN A 95 21.898 -24.268 6.979 1.00 31.33 H new ATOM 0 HG2 GLN A 95 20.158 -22.820 8.990 1.00 51.11 H new ATOM 0 HG3 GLN A 95 21.576 -23.724 9.484 1.00 51.11 H new ATOM 0 HE21 GLN A 95 21.836 -21.275 10.212 1.00 12.34 H new ATOM 0 HE22 GLN A 95 22.822 -20.302 9.115 1.00 12.34 H new ATOM 1457 N GLN A 96 19.774 -24.449 4.177 1.00 31.52 N ATOM 1458 CA GLN A 96 20.214 -24.639 2.800 1.00 74.30 C ATOM 1459 C GLN A 96 20.036 -23.359 1.990 1.00 32.15 C ATOM 1460 O GLN A 96 19.913 -23.398 0.767 1.00 63.30 O ATOM 1461 CB GLN A 96 19.435 -25.782 2.147 1.00 74.24 C ATOM 1462 CG GLN A 96 17.983 -25.439 1.853 1.00 31.33 C ATOM 1463 CD GLN A 96 17.065 -26.641 1.966 1.00 2.32 C ATOM 1464 OE1 GLN A 96 16.006 -26.571 2.590 1.00 1.24 O ATOM 1465 NE2 GLN A 96 17.467 -27.752 1.361 1.00 23.10 N ATOM 0 H GLN A 96 18.887 -24.899 4.403 1.00 31.52 H new ATOM 0 HA GLN A 96 21.274 -24.893 2.815 1.00 74.30 H new ATOM 0 HB2 GLN A 96 19.929 -26.062 1.217 1.00 74.24 H new ATOM 0 HB3 GLN A 96 19.469 -26.654 2.801 1.00 74.24 H new ATOM 0 HG2 GLN A 96 17.649 -24.665 2.544 1.00 31.33 H new ATOM 0 HG3 GLN A 96 17.908 -25.023 0.848 1.00 31.33 H new ATOM 0 HE21 GLN A 96 18.352 -27.765 0.855 1.00 23.10 H new ATOM 0 HE22 GLN A 96 16.891 -28.592 1.402 1.00 23.10 H new ATOM 1474 N GLY A 97 20.022 -22.224 2.683 1.00 44.23 N ATOM 1475 CA GLY A 97 19.859 -20.948 2.012 1.00 55.45 C ATOM 1476 C GLY A 97 18.497 -20.331 2.264 1.00 42.53 C ATOM 1477 O GLY A 97 17.945 -19.655 1.397 1.00 55.55 O ATOM 0 H GLY A 97 20.121 -22.166 3.697 1.00 44.23 H new ATOM 0 HA2 GLY A 97 20.634 -20.261 2.351 1.00 55.45 H new ATOM 0 HA3 GLY A 97 20.000 -21.084 0.940 1.00 55.45 H new ATOM 1481 N ALA A 98 17.954 -20.565 3.454 1.00 44.31 N ATOM 1482 CA ALA A 98 16.649 -20.027 3.818 1.00 45.54 C ATOM 1483 C ALA A 98 16.780 -18.944 4.884 1.00 51.03 C ATOM 1484 O ALA A 98 17.768 -18.896 5.617 1.00 71.33 O ATOM 1485 CB ALA A 98 15.736 -21.142 4.304 1.00 54.40 C ATOM 0 H ALA A 98 18.398 -21.124 4.183 1.00 44.31 H new ATOM 0 HA ALA A 98 16.209 -19.574 2.930 1.00 45.54 H new ATOM 0 HB1 ALA A 98 14.765 -20.726 4.572 1.00 54.40 H new ATOM 0 HB2 ALA A 98 15.608 -21.879 3.511 1.00 54.40 H new ATOM 0 HB3 ALA A 98 16.179 -21.621 5.177 1.00 54.40 H new ATOM 1491 N PHE A 99 15.777 -18.076 4.964 1.00 1.33 N ATOM 1492 CA PHE A 99 15.781 -16.992 5.940 1.00 12.01 C ATOM 1493 C PHE A 99 15.363 -17.499 7.317 1.00 4.05 C ATOM 1494 O PHE A 99 14.581 -18.443 7.433 1.00 42.34 O ATOM 1495 CB PHE A 99 14.842 -15.870 5.491 1.00 4.13 C ATOM 1496 CG PHE A 99 14.545 -14.869 6.571 1.00 30.22 C ATOM 1497 CD1 PHE A 99 15.386 -13.788 6.783 1.00 35.40 C ATOM 1498 CD2 PHE A 99 13.425 -15.010 7.375 1.00 41.11 C ATOM 1499 CE1 PHE A 99 15.115 -12.865 7.776 1.00 74.43 C ATOM 1500 CE2 PHE A 99 13.149 -14.090 8.369 1.00 72.03 C ATOM 1501 CZ PHE A 99 13.995 -13.017 8.570 1.00 22.22 C ATOM 0 H PHE A 99 14.952 -18.102 4.365 1.00 1.33 H new ATOM 0 HA PHE A 99 16.796 -16.602 6.008 1.00 12.01 H new ATOM 0 HB2 PHE A 99 15.287 -15.354 4.640 1.00 4.13 H new ATOM 0 HB3 PHE A 99 13.906 -16.307 5.145 1.00 4.13 H new ATOM 0 HD1 PHE A 99 16.263 -13.665 6.165 1.00 35.40 H new ATOM 0 HD2 PHE A 99 12.761 -15.848 7.223 1.00 41.11 H new ATOM 0 HE1 PHE A 99 15.778 -12.027 7.931 1.00 74.43 H new ATOM 0 HE2 PHE A 99 12.272 -14.210 8.988 1.00 72.03 H new ATOM 0 HZ PHE A 99 13.781 -12.298 9.347 1.00 22.22 H new ATOM 1511 N ASP A 100 15.891 -16.866 8.359 1.00 3.21 N ATOM 1512 CA ASP A 100 15.574 -17.251 9.729 1.00 21.33 C ATOM 1513 C ASP A 100 14.077 -17.497 9.892 1.00 64.51 C ATOM 1514 O ASP A 100 13.273 -16.568 9.818 1.00 5.24 O ATOM 1515 CB ASP A 100 16.034 -16.168 10.706 1.00 24.11 C ATOM 1516 CG ASP A 100 15.944 -16.616 12.152 1.00 41.33 C ATOM 1517 OD1 ASP A 100 14.828 -16.592 12.712 1.00 71.01 O ATOM 1518 OD2 ASP A 100 16.989 -16.991 12.723 1.00 43.44 O ATOM 0 H ASP A 100 16.541 -16.084 8.281 1.00 3.21 H new ATOM 0 HA ASP A 100 16.103 -18.178 9.951 1.00 21.33 H new ATOM 0 HB2 ASP A 100 17.063 -15.891 10.478 1.00 24.11 H new ATOM 0 HB3 ASP A 100 15.425 -15.275 10.567 1.00 24.11 H new ATOM 1523 N TYR A 101 13.710 -18.755 10.112 1.00 65.02 N ATOM 1524 CA TYR A 101 12.310 -19.124 10.281 1.00 21.21 C ATOM 1525 C TYR A 101 11.734 -18.507 11.552 1.00 52.13 C ATOM 1526 O TYR A 101 12.445 -17.857 12.319 1.00 45.14 O ATOM 1527 CB TYR A 101 12.164 -20.646 10.329 1.00 63.13 C ATOM 1528 CG TYR A 101 13.185 -21.325 11.214 1.00 14.35 C ATOM 1529 CD1 TYR A 101 13.344 -20.944 12.541 1.00 2.13 C ATOM 1530 CD2 TYR A 101 13.989 -22.346 10.725 1.00 45.22 C ATOM 1531 CE1 TYR A 101 14.276 -21.560 13.354 1.00 34.53 C ATOM 1532 CE2 TYR A 101 14.922 -22.969 11.531 1.00 62.01 C ATOM 1533 CZ TYR A 101 15.062 -22.573 12.845 1.00 53.23 C ATOM 1534 OH TYR A 101 15.991 -23.190 13.650 1.00 32.15 O ATOM 0 H TYR A 101 14.363 -19.536 10.177 1.00 65.02 H new ATOM 0 HA TYR A 101 11.753 -18.739 9.427 1.00 21.21 H new ATOM 0 HB2 TYR A 101 11.164 -20.896 10.684 1.00 63.13 H new ATOM 0 HB3 TYR A 101 12.251 -21.043 9.318 1.00 63.13 H new ATOM 0 HD1 TYR A 101 12.729 -20.153 12.944 1.00 2.13 H new ATOM 0 HD2 TYR A 101 13.883 -22.658 9.697 1.00 45.22 H new ATOM 0 HE1 TYR A 101 14.389 -21.250 14.382 1.00 34.53 H new ATOM 0 HE2 TYR A 101 15.539 -23.762 11.134 1.00 62.01 H new ATOM 0 HH TYR A 101 15.680 -23.175 14.579 1.00 32.15 H new ATOM 1544 N LEU A 102 10.440 -18.715 11.768 1.00 32.32 N ATOM 1545 CA LEU A 102 9.765 -18.181 12.946 1.00 4.32 C ATOM 1546 C LEU A 102 8.856 -19.231 13.576 1.00 12.43 C ATOM 1547 O LEU A 102 7.855 -19.650 12.994 1.00 22.44 O ATOM 1548 CB LEU A 102 8.950 -16.941 12.573 1.00 64.21 C ATOM 1549 CG LEU A 102 7.821 -16.566 13.533 1.00 22.13 C ATOM 1550 CD1 LEU A 102 8.382 -15.910 14.786 1.00 55.04 C ATOM 1551 CD2 LEU A 102 6.822 -15.645 12.848 1.00 20.41 C ATOM 0 H LEU A 102 9.837 -19.250 11.143 1.00 32.32 H new ATOM 0 HA LEU A 102 10.526 -17.902 13.675 1.00 4.32 H new ATOM 0 HB2 LEU A 102 9.631 -16.093 12.496 1.00 64.21 H new ATOM 0 HB3 LEU A 102 8.521 -17.097 11.583 1.00 64.21 H new ATOM 0 HG LEU A 102 7.301 -17.478 13.827 1.00 22.13 H new ATOM 0 HD11 LEU A 102 7.564 -15.650 15.458 1.00 55.04 H new ATOM 0 HD12 LEU A 102 9.058 -16.603 15.288 1.00 55.04 H new ATOM 0 HD13 LEU A 102 8.927 -15.007 14.511 1.00 55.04 H new ATOM 0 HD21 LEU A 102 6.025 -15.389 13.546 1.00 20.41 H new ATOM 0 HD22 LEU A 102 7.328 -14.735 12.525 1.00 20.41 H new ATOM 0 HD23 LEU A 102 6.396 -16.151 11.981 1.00 20.41 H new ATOM 1563 N PRO A 103 9.208 -19.665 14.795 1.00 4.55 N ATOM 1564 CA PRO A 103 8.435 -20.669 15.533 1.00 45.45 C ATOM 1565 C PRO A 103 7.089 -20.131 16.006 1.00 62.33 C ATOM 1566 O PRO A 103 6.964 -18.955 16.348 1.00 32.32 O ATOM 1567 CB PRO A 103 9.331 -20.997 16.730 1.00 50.12 C ATOM 1568 CG PRO A 103 10.168 -19.780 16.922 1.00 40.52 C ATOM 1569 CD PRO A 103 10.388 -19.208 15.549 1.00 45.24 C ATOM 0 HA PRO A 103 8.194 -21.534 14.915 1.00 45.45 H new ATOM 0 HB2 PRO A 103 8.739 -21.215 17.619 1.00 50.12 H new ATOM 0 HB3 PRO A 103 9.947 -21.874 16.534 1.00 50.12 H new ATOM 0 HG2 PRO A 103 9.667 -19.060 17.569 1.00 40.52 H new ATOM 0 HG3 PRO A 103 11.117 -20.030 17.397 1.00 40.52 H new ATOM 0 HD2 PRO A 103 10.453 -18.120 15.573 1.00 45.24 H new ATOM 0 HD3 PRO A 103 11.314 -19.573 15.105 1.00 45.24 H new ATOM 1577 N LYS A 104 6.084 -21.000 16.023 1.00 12.21 N ATOM 1578 CA LYS A 104 4.746 -20.614 16.456 1.00 1.21 C ATOM 1579 C LYS A 104 4.340 -21.375 17.714 1.00 64.41 C ATOM 1580 O LYS A 104 4.785 -22.497 17.960 1.00 11.10 O ATOM 1581 CB LYS A 104 3.732 -20.874 15.340 1.00 14.21 C ATOM 1582 CG LYS A 104 3.975 -22.170 14.586 1.00 5.42 C ATOM 1583 CD LYS A 104 2.717 -22.651 13.883 1.00 45.21 C ATOM 1584 CE LYS A 104 2.028 -23.756 14.668 1.00 13.33 C ATOM 1585 NZ LYS A 104 2.594 -25.096 14.354 1.00 63.41 N ATOM 0 H LYS A 104 6.171 -21.977 15.742 1.00 12.21 H new ATOM 0 HA LYS A 104 4.759 -19.549 16.686 1.00 1.21 H new ATOM 0 HB2 LYS A 104 2.730 -20.896 15.769 1.00 14.21 H new ATOM 0 HB3 LYS A 104 3.759 -20.043 14.635 1.00 14.21 H new ATOM 0 HG2 LYS A 104 4.768 -22.022 13.853 1.00 5.42 H new ATOM 0 HG3 LYS A 104 4.321 -22.936 15.280 1.00 5.42 H new ATOM 0 HD2 LYS A 104 2.030 -21.815 13.751 1.00 45.21 H new ATOM 0 HD3 LYS A 104 2.972 -23.015 12.888 1.00 45.21 H new ATOM 0 HE2 LYS A 104 2.129 -23.560 15.735 1.00 13.33 H new ATOM 0 HE3 LYS A 104 0.962 -23.751 14.443 1.00 13.33 H new ATOM 0 HZ1 LYS A 104 1.898 -25.831 14.593 1.00 63.41 H new ATOM 0 HZ2 LYS A 104 2.819 -25.149 13.340 1.00 63.41 H new ATOM 0 HZ3 LYS A 104 3.460 -25.246 14.910 1.00 63.41 H new ATOM 1599 N PRO A 105 3.475 -20.755 18.529 1.00 11.23 N ATOM 1600 CA PRO A 105 2.939 -19.420 18.247 1.00 45.31 C ATOM 1601 C PRO A 105 3.998 -18.330 18.381 1.00 61.43 C ATOM 1602 O PRO A 105 5.144 -18.605 18.737 1.00 0.24 O ATOM 1603 CB PRO A 105 1.852 -19.242 19.309 1.00 12.22 C ATOM 1604 CG PRO A 105 2.266 -20.133 20.429 1.00 45.22 C ATOM 1605 CD PRO A 105 2.953 -21.308 19.790 1.00 31.40 C ATOM 0 HA PRO A 105 2.572 -19.336 17.224 1.00 45.31 H new ATOM 0 HB2 PRO A 105 1.783 -18.204 19.634 1.00 12.22 H new ATOM 0 HB3 PRO A 105 0.872 -19.521 18.923 1.00 12.22 H new ATOM 0 HG2 PRO A 105 2.937 -19.614 21.114 1.00 45.22 H new ATOM 0 HG3 PRO A 105 1.403 -20.455 21.011 1.00 45.22 H new ATOM 0 HD2 PRO A 105 3.753 -21.697 20.420 1.00 31.40 H new ATOM 0 HD3 PRO A 105 2.260 -22.130 19.612 1.00 31.40 H new ATOM 1613 N PHE A 106 3.607 -17.093 18.093 1.00 61.32 N ATOM 1614 CA PHE A 106 4.523 -15.962 18.181 1.00 62.13 C ATOM 1615 C PHE A 106 3.757 -14.653 18.350 1.00 72.54 C ATOM 1616 O PHE A 106 2.535 -14.652 18.499 1.00 73.14 O ATOM 1617 CB PHE A 106 5.403 -15.893 16.931 1.00 63.10 C ATOM 1618 CG PHE A 106 4.623 -15.899 15.647 1.00 4.24 C ATOM 1619 CD1 PHE A 106 3.816 -14.825 15.307 1.00 21.40 C ATOM 1620 CD2 PHE A 106 4.697 -16.978 14.781 1.00 1.14 C ATOM 1621 CE1 PHE A 106 3.097 -14.827 14.126 1.00 23.34 C ATOM 1622 CE2 PHE A 106 3.981 -16.985 13.599 1.00 20.23 C ATOM 1623 CZ PHE A 106 3.179 -15.909 13.272 1.00 62.20 C ATOM 0 H PHE A 106 2.662 -16.848 17.797 1.00 61.32 H new ATOM 0 HA PHE A 106 5.157 -16.107 19.056 1.00 62.13 H new ATOM 0 HB2 PHE A 106 6.010 -14.989 16.974 1.00 63.10 H new ATOM 0 HB3 PHE A 106 6.090 -16.739 16.933 1.00 63.10 H new ATOM 0 HD1 PHE A 106 3.748 -13.977 15.972 1.00 21.40 H new ATOM 0 HD2 PHE A 106 5.321 -17.823 15.032 1.00 1.14 H new ATOM 0 HE1 PHE A 106 2.472 -13.984 13.872 1.00 23.34 H new ATOM 0 HE2 PHE A 106 4.048 -17.831 12.931 1.00 20.23 H new ATOM 0 HZ PHE A 106 2.617 -15.914 12.350 1.00 62.20 H new ATOM 1633 N ASP A 107 4.484 -13.542 18.326 1.00 51.03 N ATOM 1634 CA ASP A 107 3.874 -12.226 18.476 1.00 52.14 C ATOM 1635 C ASP A 107 3.700 -11.550 17.119 1.00 13.01 C ATOM 1636 O ASP A 107 4.679 -11.227 16.446 1.00 73.14 O ATOM 1637 CB ASP A 107 4.726 -11.346 19.392 1.00 60.51 C ATOM 1638 CG ASP A 107 5.109 -12.051 20.678 1.00 21.24 C ATOM 1639 OD1 ASP A 107 6.122 -12.781 20.676 1.00 45.43 O ATOM 1640 OD2 ASP A 107 4.395 -11.874 21.688 1.00 71.13 O ATOM 0 H ASP A 107 5.497 -13.526 18.204 1.00 51.03 H new ATOM 0 HA ASP A 107 2.890 -12.358 18.925 1.00 52.14 H new ATOM 0 HB2 ASP A 107 5.630 -11.044 18.863 1.00 60.51 H new ATOM 0 HB3 ASP A 107 4.177 -10.435 19.630 1.00 60.51 H new ATOM 1645 N ILE A 108 2.448 -11.340 16.725 1.00 64.34 N ATOM 1646 CA ILE A 108 2.147 -10.703 15.449 1.00 72.02 C ATOM 1647 C ILE A 108 2.993 -9.451 15.246 1.00 3.00 C ATOM 1648 O ILE A 108 3.352 -9.108 14.120 1.00 43.34 O ATOM 1649 CB ILE A 108 0.657 -10.324 15.347 1.00 65.21 C ATOM 1650 CG1 ILE A 108 -0.194 -11.574 15.112 1.00 50.52 C ATOM 1651 CG2 ILE A 108 0.443 -9.313 14.231 1.00 44.13 C ATOM 1652 CD1 ILE A 108 -1.604 -11.454 15.647 1.00 3.51 C ATOM 0 H ILE A 108 1.627 -11.601 17.271 1.00 64.34 H new ATOM 0 HA ILE A 108 2.384 -11.428 14.671 1.00 72.02 H new ATOM 0 HB ILE A 108 0.347 -9.868 16.287 1.00 65.21 H new ATOM 0 HG12 ILE A 108 -0.236 -11.779 14.042 1.00 50.52 H new ATOM 0 HG13 ILE A 108 0.293 -12.429 15.582 1.00 50.52 H new ATOM 0 HG21 ILE A 108 -0.614 -9.055 14.171 1.00 44.13 H new ATOM 0 HG22 ILE A 108 1.024 -8.415 14.438 1.00 44.13 H new ATOM 0 HG23 ILE A 108 0.765 -9.744 13.283 1.00 44.13 H new ATOM 0 HD11 ILE A 108 -2.149 -12.376 15.445 1.00 3.51 H new ATOM 0 HD12 ILE A 108 -1.571 -11.279 16.722 1.00 3.51 H new ATOM 0 HD13 ILE A 108 -2.109 -10.620 15.159 1.00 3.51 H new ATOM 1664 N ASP A 109 3.310 -8.774 16.344 1.00 1.30 N ATOM 1665 CA ASP A 109 4.118 -7.561 16.288 1.00 55.52 C ATOM 1666 C ASP A 109 5.505 -7.857 15.727 1.00 1.23 C ATOM 1667 O ASP A 109 6.024 -7.107 14.901 1.00 55.01 O ATOM 1668 CB ASP A 109 4.238 -6.938 17.679 1.00 3.35 C ATOM 1669 CG ASP A 109 4.539 -5.453 17.625 1.00 4.11 C ATOM 1670 OD1 ASP A 109 3.781 -4.718 16.959 1.00 61.24 O ATOM 1671 OD2 ASP A 109 5.534 -5.026 18.248 1.00 11.44 O ATOM 0 H ASP A 109 3.020 -9.044 17.284 1.00 1.30 H new ATOM 0 HA ASP A 109 3.621 -6.854 15.624 1.00 55.52 H new ATOM 0 HB2 ASP A 109 3.309 -7.098 18.227 1.00 3.35 H new ATOM 0 HB3 ASP A 109 5.027 -7.446 18.234 1.00 3.35 H new ATOM 1676 N GLU A 110 6.100 -8.954 16.184 1.00 24.11 N ATOM 1677 CA GLU A 110 7.429 -9.347 15.729 1.00 32.41 C ATOM 1678 C GLU A 110 7.356 -10.038 14.370 1.00 21.55 C ATOM 1679 O GLU A 110 8.294 -9.970 13.577 1.00 71.33 O ATOM 1680 CB GLU A 110 8.088 -10.276 16.751 1.00 2.22 C ATOM 1681 CG GLU A 110 9.582 -10.455 16.536 1.00 14.02 C ATOM 1682 CD GLU A 110 10.213 -11.375 17.563 1.00 14.02 C ATOM 1683 OE1 GLU A 110 10.522 -10.900 18.676 1.00 42.34 O ATOM 1684 OE2 GLU A 110 10.396 -12.571 17.254 1.00 45.01 O ATOM 0 H GLU A 110 5.684 -9.586 16.868 1.00 24.11 H new ATOM 0 HA GLU A 110 8.032 -8.445 15.627 1.00 32.41 H new ATOM 0 HB2 GLU A 110 7.918 -9.880 17.752 1.00 2.22 H new ATOM 0 HB3 GLU A 110 7.604 -11.252 16.708 1.00 2.22 H new ATOM 0 HG2 GLU A 110 9.756 -10.857 15.538 1.00 14.02 H new ATOM 0 HG3 GLU A 110 10.070 -9.481 16.577 1.00 14.02 H new ATOM 1691 N ALA A 111 6.235 -10.704 14.111 1.00 24.10 N ATOM 1692 CA ALA A 111 6.039 -11.406 12.849 1.00 32.40 C ATOM 1693 C ALA A 111 5.905 -10.425 11.690 1.00 54.03 C ATOM 1694 O ALA A 111 6.663 -10.484 10.722 1.00 64.10 O ATOM 1695 CB ALA A 111 4.812 -12.302 12.929 1.00 32.53 C ATOM 0 H ALA A 111 5.450 -10.772 14.758 1.00 24.10 H new ATOM 0 HA ALA A 111 6.917 -12.026 12.666 1.00 32.40 H new ATOM 0 HB1 ALA A 111 4.677 -12.820 11.980 1.00 32.53 H new ATOM 0 HB2 ALA A 111 4.947 -13.033 13.726 1.00 32.53 H new ATOM 0 HB3 ALA A 111 3.931 -11.695 13.139 1.00 32.53 H new ATOM 1701 N VAL A 112 4.934 -9.523 11.793 1.00 11.24 N ATOM 1702 CA VAL A 112 4.701 -8.528 10.753 1.00 15.14 C ATOM 1703 C VAL A 112 5.988 -7.793 10.397 1.00 71.21 C ATOM 1704 O VAL A 112 6.194 -7.403 9.248 1.00 0.12 O ATOM 1705 CB VAL A 112 3.639 -7.500 11.188 1.00 2.11 C ATOM 1706 CG1 VAL A 112 3.630 -6.309 10.242 1.00 5.44 C ATOM 1707 CG2 VAL A 112 2.265 -8.149 11.254 1.00 51.11 C ATOM 0 H VAL A 112 4.296 -9.461 12.586 1.00 11.24 H new ATOM 0 HA VAL A 112 4.339 -9.065 9.876 1.00 15.14 H new ATOM 0 HB VAL A 112 3.894 -7.140 12.185 1.00 2.11 H new ATOM 0 HG11 VAL A 112 2.874 -5.594 10.565 1.00 5.44 H new ATOM 0 HG12 VAL A 112 4.609 -5.830 10.250 1.00 5.44 H new ATOM 0 HG13 VAL A 112 3.400 -6.648 9.232 1.00 5.44 H new ATOM 0 HG21 VAL A 112 1.527 -7.408 11.563 1.00 51.11 H new ATOM 0 HG22 VAL A 112 1.999 -8.538 10.271 1.00 51.11 H new ATOM 0 HG23 VAL A 112 2.283 -8.966 11.975 1.00 51.11 H new ATOM 1717 N ALA A 113 6.852 -7.609 11.390 1.00 53.51 N ATOM 1718 CA ALA A 113 8.121 -6.923 11.181 1.00 52.23 C ATOM 1719 C ALA A 113 9.169 -7.871 10.609 1.00 25.14 C ATOM 1720 O ALA A 113 10.000 -7.474 9.790 1.00 33.44 O ATOM 1721 CB ALA A 113 8.612 -6.313 12.485 1.00 25.11 C ATOM 0 H ALA A 113 6.696 -7.925 12.347 1.00 53.51 H new ATOM 0 HA ALA A 113 7.960 -6.124 10.458 1.00 52.23 H new ATOM 0 HB1 ALA A 113 9.561 -5.804 12.314 1.00 25.11 H new ATOM 0 HB2 ALA A 113 7.877 -5.597 12.851 1.00 25.11 H new ATOM 0 HB3 ALA A 113 8.751 -7.101 13.225 1.00 25.11 H new ATOM 1727 N LEU A 114 9.127 -9.125 11.046 1.00 2.23 N ATOM 1728 CA LEU A 114 10.075 -10.130 10.578 1.00 32.55 C ATOM 1729 C LEU A 114 10.030 -10.256 9.059 1.00 43.50 C ATOM 1730 O LEU A 114 11.068 -10.300 8.398 1.00 2.24 O ATOM 1731 CB LEU A 114 9.771 -11.484 11.222 1.00 20.52 C ATOM 1732 CG LEU A 114 10.546 -12.680 10.667 1.00 34.42 C ATOM 1733 CD1 LEU A 114 11.978 -12.672 11.178 1.00 31.44 C ATOM 1734 CD2 LEU A 114 9.852 -13.983 11.038 1.00 63.31 C ATOM 0 H LEU A 114 8.447 -9.470 11.723 1.00 2.23 H new ATOM 0 HA LEU A 114 11.076 -9.812 10.868 1.00 32.55 H new ATOM 0 HB2 LEU A 114 9.974 -11.409 12.290 1.00 20.52 H new ATOM 0 HB3 LEU A 114 8.705 -11.685 11.113 1.00 20.52 H new ATOM 0 HG LEU A 114 10.570 -12.601 9.580 1.00 34.42 H new ATOM 0 HD11 LEU A 114 12.514 -13.530 10.773 1.00 31.44 H new ATOM 0 HD12 LEU A 114 12.472 -11.753 10.862 1.00 31.44 H new ATOM 0 HD13 LEU A 114 11.976 -12.727 12.267 1.00 31.44 H new ATOM 0 HD21 LEU A 114 10.417 -14.824 10.635 1.00 63.31 H new ATOM 0 HD22 LEU A 114 9.797 -14.070 12.123 1.00 63.31 H new ATOM 0 HD23 LEU A 114 8.845 -13.990 10.622 1.00 63.31 H new ATOM 1746 N VAL A 115 8.821 -10.310 8.510 1.00 51.01 N ATOM 1747 CA VAL A 115 8.640 -10.426 7.068 1.00 65.32 C ATOM 1748 C VAL A 115 9.113 -9.166 6.351 1.00 31.25 C ATOM 1749 O VAL A 115 9.686 -9.237 5.265 1.00 54.43 O ATOM 1750 CB VAL A 115 7.166 -10.687 6.706 1.00 63.21 C ATOM 1751 CG1 VAL A 115 6.277 -9.585 7.260 1.00 11.23 C ATOM 1752 CG2 VAL A 115 7.002 -10.809 5.198 1.00 13.15 C ATOM 0 H VAL A 115 7.952 -10.275 9.042 1.00 51.01 H new ATOM 0 HA VAL A 115 9.242 -11.274 6.741 1.00 65.32 H new ATOM 0 HB VAL A 115 6.860 -11.630 7.159 1.00 63.21 H new ATOM 0 HG11 VAL A 115 5.239 -9.787 6.994 1.00 11.23 H new ATOM 0 HG12 VAL A 115 6.374 -9.551 8.345 1.00 11.23 H new ATOM 0 HG13 VAL A 115 6.580 -8.627 6.838 1.00 11.23 H new ATOM 0 HG21 VAL A 115 5.954 -10.993 4.960 1.00 13.15 H new ATOM 0 HG22 VAL A 115 7.325 -9.884 4.721 1.00 13.15 H new ATOM 0 HG23 VAL A 115 7.609 -11.637 4.832 1.00 13.15 H new ATOM 1762 N GLU A 116 8.869 -8.014 6.969 1.00 60.42 N ATOM 1763 CA GLU A 116 9.270 -6.738 6.389 1.00 52.11 C ATOM 1764 C GLU A 116 10.771 -6.711 6.117 1.00 22.23 C ATOM 1765 O GLU A 116 11.239 -6.004 5.225 1.00 52.13 O ATOM 1766 CB GLU A 116 8.889 -5.587 7.322 1.00 54.52 C ATOM 1767 CG GLU A 116 8.129 -4.468 6.629 1.00 14.00 C ATOM 1768 CD GLU A 116 8.662 -3.093 6.984 1.00 34.51 C ATOM 1769 OE1 GLU A 116 9.777 -2.755 6.537 1.00 63.42 O ATOM 1770 OE2 GLU A 116 7.962 -2.356 7.710 1.00 50.25 O ATOM 0 H GLU A 116 8.396 -7.939 7.870 1.00 60.42 H new ATOM 0 HA GLU A 116 8.745 -6.618 5.441 1.00 52.11 H new ATOM 0 HB2 GLU A 116 8.280 -5.978 8.137 1.00 54.52 H new ATOM 0 HB3 GLU A 116 9.795 -5.177 7.769 1.00 54.52 H new ATOM 0 HG2 GLU A 116 8.187 -4.609 5.550 1.00 14.00 H new ATOM 0 HG3 GLU A 116 7.075 -4.527 6.902 1.00 14.00 H new ATOM 1777 N ARG A 117 11.521 -7.486 6.894 1.00 30.31 N ATOM 1778 CA ARG A 117 12.969 -7.551 6.739 1.00 2.43 C ATOM 1779 C ARG A 117 13.346 -8.194 5.408 1.00 74.30 C ATOM 1780 O ARG A 117 14.264 -7.741 4.726 1.00 51.02 O ATOM 1781 CB ARG A 117 13.592 -8.338 7.893 1.00 23.41 C ATOM 1782 CG ARG A 117 12.997 -8.003 9.251 1.00 63.11 C ATOM 1783 CD ARG A 117 14.079 -7.675 10.268 1.00 64.42 C ATOM 1784 NE ARG A 117 14.342 -6.241 10.344 1.00 4.12 N ATOM 1785 CZ ARG A 117 15.082 -5.679 11.293 1.00 5.14 C ATOM 1786 NH1 ARG A 117 15.630 -6.427 12.241 1.00 4.33 N ATOM 1787 NH2 ARG A 117 15.276 -4.366 11.295 1.00 22.24 N ATOM 0 H ARG A 117 11.149 -8.078 7.637 1.00 30.31 H new ATOM 0 HA ARG A 117 13.356 -6.532 6.752 1.00 2.43 H new ATOM 0 HB2 ARG A 117 13.466 -9.404 7.704 1.00 23.41 H new ATOM 0 HB3 ARG A 117 14.664 -8.143 7.918 1.00 23.41 H new ATOM 0 HG2 ARG A 117 12.319 -7.155 9.153 1.00 63.11 H new ATOM 0 HG3 ARG A 117 12.404 -8.845 9.608 1.00 63.11 H new ATOM 0 HD2 ARG A 117 13.777 -8.041 11.249 1.00 64.42 H new ATOM 0 HD3 ARG A 117 14.997 -8.198 10.002 1.00 64.42 H new ATOM 0 HE ARG A 117 13.935 -5.638 9.629 1.00 4.12 H new ATOM 0 HH11 ARG A 117 15.484 -7.436 12.243 1.00 4.33 H new ATOM 0 HH12 ARG A 117 16.198 -5.993 12.969 1.00 4.33 H new ATOM 0 HH21 ARG A 117 14.857 -3.787 10.567 1.00 22.24 H new ATOM 0 HH22 ARG A 117 15.844 -3.936 12.024 1.00 22.24 H new ATOM 1801 N ALA A 118 12.630 -9.254 5.046 1.00 52.24 N ATOM 1802 CA ALA A 118 12.887 -9.959 3.796 1.00 5.30 C ATOM 1803 C ALA A 118 12.404 -9.148 2.598 1.00 2.35 C ATOM 1804 O ALA A 118 13.043 -9.137 1.546 1.00 71.43 O ATOM 1805 CB ALA A 118 12.220 -11.326 3.814 1.00 50.10 C ATOM 0 H ALA A 118 11.868 -9.643 5.601 1.00 52.24 H new ATOM 0 HA ALA A 118 13.964 -10.094 3.699 1.00 5.30 H new ATOM 0 HB1 ALA A 118 12.420 -11.841 2.874 1.00 50.10 H new ATOM 0 HB2 ALA A 118 12.617 -11.914 4.642 1.00 50.10 H new ATOM 0 HB3 ALA A 118 11.144 -11.204 3.939 1.00 50.10 H new ATOM 1811 N ILE A 119 11.274 -8.470 2.766 1.00 35.30 N ATOM 1812 CA ILE A 119 10.706 -7.656 1.698 1.00 32.44 C ATOM 1813 C ILE A 119 11.527 -6.391 1.476 1.00 62.03 C ATOM 1814 O ILE A 119 11.911 -6.078 0.349 1.00 62.22 O ATOM 1815 CB ILE A 119 9.249 -7.262 2.005 1.00 0.11 C ATOM 1816 CG1 ILE A 119 8.403 -8.511 2.260 1.00 15.44 C ATOM 1817 CG2 ILE A 119 8.668 -6.447 0.859 1.00 5.11 C ATOM 1818 CD1 ILE A 119 6.941 -8.210 2.509 1.00 41.54 C ATOM 0 H ILE A 119 10.734 -8.468 3.631 1.00 35.30 H new ATOM 0 HA ILE A 119 10.726 -8.263 0.793 1.00 32.44 H new ATOM 0 HB ILE A 119 9.236 -6.647 2.905 1.00 0.11 H new ATOM 0 HG12 ILE A 119 8.487 -9.178 1.402 1.00 15.44 H new ATOM 0 HG13 ILE A 119 8.807 -9.045 3.120 1.00 15.44 H new ATOM 0 HG21 ILE A 119 7.638 -6.176 1.091 1.00 5.11 H new ATOM 0 HG22 ILE A 119 9.259 -5.542 0.720 1.00 5.11 H new ATOM 0 HG23 ILE A 119 8.690 -7.039 -0.056 1.00 5.11 H new ATOM 0 HD11 ILE A 119 6.402 -9.142 2.682 1.00 41.54 H new ATOM 0 HD12 ILE A 119 6.846 -7.568 3.384 1.00 41.54 H new ATOM 0 HD13 ILE A 119 6.521 -7.704 1.640 1.00 41.54 H new ATOM 1830 N SER A 120 11.795 -5.668 2.558 1.00 13.42 N ATOM 1831 CA SER A 120 12.569 -4.435 2.481 1.00 4.53 C ATOM 1832 C SER A 120 13.979 -4.710 1.968 1.00 43.04 C ATOM 1833 O SER A 120 14.680 -3.799 1.525 1.00 62.43 O ATOM 1834 CB SER A 120 12.637 -3.763 3.854 1.00 33.13 C ATOM 1835 OG SER A 120 11.401 -3.153 4.185 1.00 61.11 O ATOM 0 H SER A 120 11.488 -5.915 3.499 1.00 13.42 H new ATOM 0 HA SER A 120 12.069 -3.765 1.781 1.00 4.53 H new ATOM 0 HB2 SER A 120 12.896 -4.502 4.612 1.00 33.13 H new ATOM 0 HB3 SER A 120 13.428 -3.013 3.857 1.00 33.13 H new ATOM 0 HG SER A 120 11.221 -3.276 5.140 1.00 61.11 H new ATOM 1841 N HIS A 121 14.389 -5.973 2.030 1.00 0.03 N ATOM 1842 CA HIS A 121 15.715 -6.370 1.571 1.00 23.22 C ATOM 1843 C HIS A 121 15.908 -6.020 0.099 1.00 42.41 C ATOM 1844 O HIS A 121 17.037 -5.895 -0.377 1.00 11.30 O ATOM 1845 CB HIS A 121 15.923 -7.870 1.782 1.00 70.33 C ATOM 1846 CG HIS A 121 17.354 -8.298 1.673 1.00 3.14 C ATOM 1847 ND1 HIS A 121 17.920 -8.741 0.497 1.00 44.23 N ATOM 1848 CD2 HIS A 121 18.336 -8.347 2.604 1.00 44.25 C ATOM 1849 CE1 HIS A 121 19.188 -9.045 0.708 1.00 24.40 C ATOM 1850 NE2 HIS A 121 19.466 -8.815 1.979 1.00 41.24 N ATOM 0 H HIS A 121 13.822 -6.739 2.394 1.00 0.03 H new ATOM 0 HA HIS A 121 16.454 -5.822 2.156 1.00 23.22 H new ATOM 0 HB2 HIS A 121 15.544 -8.146 2.766 1.00 70.33 H new ATOM 0 HB3 HIS A 121 15.332 -8.417 1.048 1.00 70.33 H new ATOM 0 HD2 HIS A 121 18.247 -8.070 3.644 1.00 44.25 H new ATOM 0 HE1 HIS A 121 19.880 -9.418 -0.033 1.00 24.40 H new ATOM 0 HE2 HIS A 121 20.372 -8.961 2.424 1.00 41.24 H new ATOM 1858 N TYR A 122 14.800 -5.863 -0.617 1.00 22.02 N ATOM 1859 CA TYR A 122 14.848 -5.530 -2.036 1.00 35.14 C ATOM 1860 C TYR A 122 13.795 -4.482 -2.385 1.00 21.23 C ATOM 1861 O TYR A 122 13.098 -4.600 -3.392 1.00 11.51 O ATOM 1862 CB TYR A 122 14.634 -6.786 -2.883 1.00 12.41 C ATOM 1863 CG TYR A 122 13.610 -7.738 -2.307 1.00 2.21 C ATOM 1864 CD1 TYR A 122 12.268 -7.386 -2.237 1.00 33.14 C ATOM 1865 CD2 TYR A 122 13.985 -8.988 -1.832 1.00 64.40 C ATOM 1866 CE1 TYR A 122 11.329 -8.252 -1.711 1.00 30.54 C ATOM 1867 CE2 TYR A 122 13.053 -9.862 -1.306 1.00 4.32 C ATOM 1868 CZ TYR A 122 11.727 -9.489 -1.247 1.00 34.20 C ATOM 1869 OH TYR A 122 10.795 -10.356 -0.722 1.00 44.31 O ATOM 0 H TYR A 122 13.858 -5.961 -0.238 1.00 22.02 H new ATOM 0 HA TYR A 122 15.833 -5.116 -2.254 1.00 35.14 H new ATOM 0 HB2 TYR A 122 14.320 -6.490 -3.884 1.00 12.41 H new ATOM 0 HB3 TYR A 122 15.585 -7.309 -2.989 1.00 12.41 H new ATOM 0 HD1 TYR A 122 11.953 -6.419 -2.600 1.00 33.14 H new ATOM 0 HD2 TYR A 122 15.023 -9.282 -1.874 1.00 64.40 H new ATOM 0 HE1 TYR A 122 10.290 -7.963 -1.663 1.00 30.54 H new ATOM 0 HE2 TYR A 122 13.361 -10.831 -0.943 1.00 4.32 H new ATOM 0 HH TYR A 122 10.953 -11.258 -1.072 1.00 44.31 H new ATOM 1879 N GLN A 123 13.688 -3.458 -1.544 1.00 50.04 N ATOM 1880 CA GLN A 123 12.721 -2.389 -1.763 1.00 41.34 C ATOM 1881 C GLN A 123 12.836 -1.321 -0.681 1.00 2.41 C ATOM 1882 O GLN A 123 12.655 -0.133 -0.947 1.00 11.04 O ATOM 1883 CB GLN A 123 11.300 -2.955 -1.789 1.00 43.32 C ATOM 1884 CG GLN A 123 10.566 -2.697 -3.095 1.00 42.31 C ATOM 1885 CD GLN A 123 9.323 -3.552 -3.245 1.00 3.42 C ATOM 1886 OE1 GLN A 123 8.209 -3.036 -3.344 1.00 24.24 O ATOM 1887 NE2 GLN A 123 9.508 -4.867 -3.262 1.00 54.45 N ATOM 0 H GLN A 123 14.258 -3.346 -0.706 1.00 50.04 H new ATOM 0 HA GLN A 123 12.939 -1.929 -2.727 1.00 41.34 H new ATOM 0 HB2 GLN A 123 11.343 -4.030 -1.612 1.00 43.32 H new ATOM 0 HB3 GLN A 123 10.729 -2.519 -0.969 1.00 43.32 H new ATOM 0 HG2 GLN A 123 10.287 -1.645 -3.149 1.00 42.31 H new ATOM 0 HG3 GLN A 123 11.239 -2.891 -3.930 1.00 42.31 H new ATOM 0 HE21 GLN A 123 10.449 -5.251 -3.177 1.00 54.45 H new ATOM 0 HE22 GLN A 123 8.709 -5.493 -3.360 1.00 54.45 H new ATOM 1896 N GLU A 124 13.138 -1.752 0.540 1.00 61.22 N ATOM 1897 CA GLU A 124 13.276 -0.832 1.662 1.00 12.33 C ATOM 1898 C GLU A 124 12.050 0.069 1.781 1.00 51.34 C ATOM 1899 O GLU A 124 11.963 0.900 2.685 1.00 71.45 O ATOM 1900 CB GLU A 124 14.536 0.021 1.500 1.00 55.45 C ATOM 1901 CG GLU A 124 15.443 0.005 2.718 1.00 65.22 C ATOM 1902 CD GLU A 124 14.861 0.770 3.890 1.00 33.22 C ATOM 1903 OE1 GLU A 124 13.826 0.327 4.431 1.00 31.23 O ATOM 1904 OE2 GLU A 124 15.439 1.811 4.266 1.00 34.22 O ATOM 0 H GLU A 124 13.292 -2.732 0.777 1.00 61.22 H new ATOM 0 HA GLU A 124 13.361 -1.423 2.574 1.00 12.33 H new ATOM 0 HB2 GLU A 124 15.097 -0.335 0.636 1.00 55.45 H new ATOM 0 HB3 GLU A 124 14.243 1.050 1.289 1.00 55.45 H new ATOM 0 HG2 GLU A 124 15.625 -1.027 3.017 1.00 65.22 H new ATOM 0 HG3 GLU A 124 16.409 0.435 2.452 1.00 65.22 H new TER 1911 GLU A 124