USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1101 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 41 GLN : amide:sc= -3.82! C(o=-5.2!,f=-8.5!) USER MOD Set 1.2: A 76 MET CE :methyl 148:sc= -1.39 (180deg=-0.0604) USER MOD Set 2.1: A 36 MET CE :methyl 157:sc= -1.09 (180deg=-2.55!) USER MOD Set 2.2: A 72 MET CE :methyl 149:sc= -0.266 (180deg=-2.19) USER MOD Set 3.1: A 26 THR OG1 : rot -144:sc= 1.09 USER MOD Set 3.2: A 62 THR OG1 : rot 130:sc= 1.17 USER MOD Set 4.1: A 5 THR OG1 : rot 28:sc= 0.64 USER MOD Set 4.2: A 8 GLN :FLIP amide:sc= 1.16 F(o=-0.35,f=1.8) USER MOD Single : A 1 ALA N :NH3+ -105:sc= 0.0196 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= -0.365 (180deg=-1.55!) USER MOD Single : A 17 SER OG : rot 102:sc= 0.023 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -121:sc= -1.27 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00352) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 142:sc= 1.28 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 155:sc= -5.43! (180deg=-6.52!) USER MOD Single : A 53 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.0073) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 3:sc= 0.646 USER MOD Single : A 71 MET CE :methyl -155:sc= -5.36! (180deg=-6.16!) USER MOD Single : A 75 LYS NZ :NH3+ -127:sc= -0.121 (180deg=-2.96!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -118:sc= 0.92 (180deg=-0.284) USER MOD Single : A 97 ASN : amide:sc= -1.02 X(o=-1,f=-0.7) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -62:sc= 0.111 USER MOD Single : A 107 HIS :FLIP no HE2:sc= 0.341 F(o=-1.2,f=0.34) USER MOD Single : A 109 MET CE :methyl 135:sc= -2.77! (180deg=-5.25!) USER MOD Single : A 110 THR OG1 : rot 101:sc= 0.977 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -121:sc= -4.97! (180deg=-8.79!) USER MOD Single : A 135 GLN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 137 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.5!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -158:sc= -0.554 (180deg=-2.67!) USER MOD Single : A 145 MET CE :methyl 150:sc= -0.566 (180deg=-1.19) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00214) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.535 0.183 0.317 1.00 7.58 N ATOM 2 CA ALA A 1 9.619 1.294 -0.047 1.00 7.12 C ATOM 3 C ALA A 1 9.137 1.158 -1.487 1.00 6.58 C ATOM 4 O ALA A 1 9.891 0.720 -2.362 1.00 7.05 O ATOM 5 CB ALA A 1 10.311 2.634 0.153 1.00 7.53 C ATOM 0 H1 ALA A 1 10.035 -0.492 0.931 1.00 7.58 H new ATOM 0 H2 ALA A 1 10.852 -0.303 -0.546 1.00 7.58 H new ATOM 0 H3 ALA A 1 11.360 0.565 0.822 1.00 7.58 H new ATOM 0 HA ALA A 1 8.749 1.244 0.607 1.00 7.12 H new ATOM 0 HB1 ALA A 1 9.629 3.440 -0.117 1.00 7.53 H new ATOM 0 HB2 ALA A 1 10.602 2.741 1.198 1.00 7.53 H new ATOM 0 HB3 ALA A 1 11.198 2.683 -0.478 1.00 7.53 H new ATOM 13 N ASP A 2 7.877 1.536 -1.720 1.00 5.87 N ATOM 14 CA ASP A 2 7.271 1.466 -3.052 1.00 5.58 C ATOM 15 C ASP A 2 7.275 2.835 -3.723 1.00 5.24 C ATOM 16 O ASP A 2 7.062 3.857 -3.063 1.00 5.25 O ATOM 17 CB ASP A 2 5.837 0.934 -2.962 1.00 5.55 C ATOM 18 CG ASP A 2 5.781 -0.538 -2.595 1.00 5.97 C ATOM 19 OD1 ASP A 2 5.732 -0.847 -1.386 1.00 6.14 O ATOM 20 OD2 ASP A 2 5.785 -1.380 -3.517 1.00 6.37 O ATOM 0 H ASP A 2 7.253 1.896 -0.998 1.00 5.87 H new ATOM 0 HA ASP A 2 7.866 0.781 -3.656 1.00 5.58 H new ATOM 0 HB2 ASP A 2 5.286 1.511 -2.219 1.00 5.55 H new ATOM 0 HB3 ASP A 2 5.337 1.085 -3.919 1.00 5.55 H new ATOM 25 N GLN A 3 7.519 2.842 -5.039 1.00 5.07 N ATOM 26 CA GLN A 3 7.558 4.069 -5.825 1.00 4.79 C ATOM 27 C GLN A 3 6.201 4.408 -6.404 1.00 4.43 C ATOM 28 O GLN A 3 5.352 3.535 -6.612 1.00 4.50 O ATOM 29 CB GLN A 3 8.614 3.975 -6.934 1.00 5.03 C ATOM 30 CG GLN A 3 10.046 4.079 -6.431 1.00 5.41 C ATOM 31 CD GLN A 3 11.065 3.998 -7.550 1.00 5.73 C ATOM 32 OE1 GLN A 3 11.453 5.014 -8.127 1.00 6.18 O ATOM 33 NE2 GLN A 3 11.505 2.785 -7.863 1.00 5.76 N ATOM 0 H GLN A 3 7.694 1.997 -5.583 1.00 5.07 H new ATOM 0 HA GLN A 3 7.838 4.878 -5.150 1.00 4.79 H new ATOM 0 HB2 GLN A 3 8.492 3.028 -7.460 1.00 5.03 H new ATOM 0 HB3 GLN A 3 8.436 4.768 -7.660 1.00 5.03 H new ATOM 0 HG2 GLN A 3 10.172 5.021 -5.897 1.00 5.41 H new ATOM 0 HG3 GLN A 3 10.234 3.279 -5.715 1.00 5.41 H new ATOM 0 HE21 GLN A 3 11.156 1.970 -7.358 1.00 5.76 H new ATOM 0 HE22 GLN A 3 12.192 2.668 -8.608 1.00 5.76 H new ATOM 42 N LEU A 4 6.026 5.701 -6.658 1.00 4.12 N ATOM 43 CA LEU A 4 4.780 6.244 -7.163 1.00 3.79 C ATOM 44 C LEU A 4 5.013 7.136 -8.383 1.00 3.73 C ATOM 45 O LEU A 4 6.132 7.609 -8.609 1.00 3.87 O ATOM 46 CB LEU A 4 4.150 7.034 -6.019 1.00 3.47 C ATOM 47 CG LEU A 4 2.619 6.974 -5.917 1.00 3.23 C ATOM 48 CD1 LEU A 4 2.183 7.070 -4.463 1.00 3.44 C ATOM 49 CD2 LEU A 4 1.979 8.090 -6.732 1.00 3.02 C ATOM 0 H LEU A 4 6.753 6.402 -6.517 1.00 4.12 H new ATOM 0 HA LEU A 4 4.119 5.443 -7.494 1.00 3.79 H new ATOM 0 HB2 LEU A 4 4.570 6.672 -5.081 1.00 3.47 H new ATOM 0 HB3 LEU A 4 4.446 8.078 -6.120 1.00 3.47 H new ATOM 0 HG LEU A 4 2.287 6.018 -6.323 1.00 3.23 H new ATOM 0 HD11 LEU A 4 1.095 7.026 -4.406 1.00 3.44 H new ATOM 0 HD12 LEU A 4 2.610 6.240 -3.900 1.00 3.44 H new ATOM 0 HD13 LEU A 4 2.531 8.013 -4.040 1.00 3.44 H new ATOM 0 HD21 LEU A 4 0.894 8.028 -6.645 1.00 3.02 H new ATOM 0 HD22 LEU A 4 2.318 9.055 -6.357 1.00 3.02 H new ATOM 0 HD23 LEU A 4 2.266 7.987 -7.779 1.00 3.02 H new ATOM 61 N THR A 5 3.945 7.363 -9.164 1.00 3.61 N ATOM 62 CA THR A 5 4.013 8.201 -10.369 1.00 3.63 C ATOM 63 C THR A 5 3.913 9.686 -10.021 1.00 3.38 C ATOM 64 O THR A 5 3.184 10.066 -9.101 1.00 3.11 O ATOM 65 CB THR A 5 2.898 7.848 -11.377 1.00 3.77 C ATOM 66 OG1 THR A 5 1.634 7.772 -10.709 1.00 3.69 O ATOM 67 CG2 THR A 5 3.189 6.528 -12.080 1.00 4.13 C ATOM 0 H THR A 5 3.020 6.975 -8.980 1.00 3.61 H new ATOM 0 HA THR A 5 4.981 8.001 -10.828 1.00 3.63 H new ATOM 0 HB THR A 5 2.863 8.637 -12.128 1.00 3.77 H new ATOM 0 HG1 THR A 5 1.640 8.364 -9.928 1.00 3.69 H new ATOM 0 HG21 THR A 5 2.387 6.306 -12.784 1.00 4.13 H new ATOM 0 HG22 THR A 5 4.134 6.603 -12.619 1.00 4.13 H new ATOM 0 HG23 THR A 5 3.255 5.729 -11.341 1.00 4.13 H new ATOM 75 N GLU A 6 4.652 10.513 -10.771 1.00 3.50 N ATOM 76 CA GLU A 6 4.679 11.970 -10.556 1.00 3.37 C ATOM 77 C GLU A 6 3.468 12.690 -11.177 1.00 3.33 C ATOM 78 O GLU A 6 3.163 13.824 -10.797 1.00 3.18 O ATOM 79 CB GLU A 6 5.997 12.579 -11.087 1.00 3.63 C ATOM 80 CG GLU A 6 6.351 12.214 -12.531 1.00 3.53 C ATOM 81 CD GLU A 6 7.652 12.843 -12.989 1.00 3.85 C ATOM 82 OE1 GLU A 6 7.609 13.969 -13.528 1.00 3.72 O ATOM 83 OE2 GLU A 6 8.714 12.211 -12.808 1.00 4.59 O ATOM 0 H GLU A 6 5.245 10.197 -11.539 1.00 3.50 H new ATOM 0 HA GLU A 6 4.621 12.124 -9.478 1.00 3.37 H new ATOM 0 HB2 GLU A 6 5.934 13.664 -11.009 1.00 3.63 H new ATOM 0 HB3 GLU A 6 6.813 12.260 -10.438 1.00 3.63 H new ATOM 0 HG2 GLU A 6 6.425 11.130 -12.620 1.00 3.53 H new ATOM 0 HG3 GLU A 6 5.545 12.534 -13.191 1.00 3.53 H new ATOM 90 N GLU A 7 2.788 12.026 -12.126 1.00 3.51 N ATOM 91 CA GLU A 7 1.625 12.600 -12.802 1.00 3.59 C ATOM 92 C GLU A 7 0.356 12.502 -11.957 1.00 3.35 C ATOM 93 O GLU A 7 -0.556 13.316 -12.126 1.00 3.38 O ATOM 94 CB GLU A 7 1.417 11.939 -14.169 1.00 3.93 C ATOM 95 CG GLU A 7 0.842 12.871 -15.228 1.00 4.45 C ATOM 96 CD GLU A 7 0.647 12.184 -16.566 1.00 5.14 C ATOM 97 OE1 GLU A 7 -0.444 11.619 -16.790 1.00 5.54 O ATOM 98 OE2 GLU A 7 1.586 12.213 -17.389 1.00 5.58 O ATOM 0 H GLU A 7 3.030 11.086 -12.440 1.00 3.51 H new ATOM 0 HA GLU A 7 1.829 13.660 -12.949 1.00 3.59 H new ATOM 0 HB2 GLU A 7 2.372 11.550 -14.522 1.00 3.93 H new ATOM 0 HB3 GLU A 7 0.750 11.085 -14.050 1.00 3.93 H new ATOM 0 HG2 GLU A 7 -0.115 13.262 -14.882 1.00 4.45 H new ATOM 0 HG3 GLU A 7 1.508 13.725 -15.356 1.00 4.45 H new ATOM 105 N GLN A 8 0.281 11.505 -11.062 1.00 3.16 N ATOM 106 CA GLN A 8 -0.871 11.375 -10.172 1.00 2.96 C ATOM 107 C GLN A 8 -0.870 12.522 -9.191 1.00 2.69 C ATOM 108 O GLN A 8 -1.914 12.950 -8.718 1.00 2.63 O ATOM 109 CB GLN A 8 -0.890 10.025 -9.447 1.00 2.87 C ATOM 110 CG GLN A 8 -1.275 8.855 -10.339 1.00 3.23 C ATOM 111 CD GLN A 8 -1.444 7.562 -9.565 1.00 3.13 C ATOM 112 OE1 GLN A 8 -2.661 7.306 -9.099 1.00 3.27 O flip ATOM 113 NE2 GLN A 8 -0.492 6.802 -9.387 1.00 3.29 N flip ATOM 0 H GLN A 8 0.997 10.788 -10.940 1.00 3.16 H new ATOM 0 HA GLN A 8 -1.779 11.412 -10.773 1.00 2.96 H new ATOM 0 HB2 GLN A 8 0.096 9.837 -9.023 1.00 2.87 H new ATOM 0 HB3 GLN A 8 -1.590 10.080 -8.614 1.00 2.87 H new ATOM 0 HG2 GLN A 8 -2.205 9.088 -10.857 1.00 3.23 H new ATOM 0 HG3 GLN A 8 -0.510 8.719 -11.104 1.00 3.23 H new ATOM 0 HE21 GLN A 8 0.426 7.038 -9.763 1.00 3.29 H new ATOM 0 HE22 GLN A 8 -0.622 5.936 -8.864 1.00 3.29 H new ATOM 122 N ILE A 9 0.330 13.002 -8.892 1.00 2.59 N ATOM 123 CA ILE A 9 0.516 14.166 -8.058 1.00 2.41 C ATOM 124 C ILE A 9 -0.071 15.377 -8.761 1.00 2.64 C ATOM 125 O ILE A 9 -0.635 16.259 -8.111 1.00 2.55 O ATOM 126 CB ILE A 9 1.993 14.323 -7.703 1.00 2.42 C ATOM 127 CG1 ILE A 9 2.239 13.390 -6.536 1.00 2.20 C ATOM 128 CG2 ILE A 9 2.369 15.767 -7.406 1.00 2.45 C ATOM 129 CD1 ILE A 9 3.088 12.207 -6.904 1.00 2.35 C ATOM 0 H ILE A 9 1.200 12.588 -9.226 1.00 2.59 H new ATOM 0 HA ILE A 9 -0.013 14.056 -7.111 1.00 2.41 H new ATOM 0 HB ILE A 9 2.633 14.059 -8.545 1.00 2.42 H new ATOM 0 HG12 ILE A 9 2.724 13.943 -5.731 1.00 2.20 H new ATOM 0 HG13 ILE A 9 1.282 13.038 -6.150 1.00 2.20 H new ATOM 0 HG21 ILE A 9 3.429 15.824 -7.159 1.00 2.45 H new ATOM 0 HG22 ILE A 9 2.167 16.383 -8.282 1.00 2.45 H new ATOM 0 HG23 ILE A 9 1.781 16.130 -6.563 1.00 2.45 H new ATOM 0 HD11 ILE A 9 3.230 11.574 -6.028 1.00 2.35 H new ATOM 0 HD12 ILE A 9 2.594 11.634 -7.689 1.00 2.35 H new ATOM 0 HD13 ILE A 9 4.057 12.553 -7.263 1.00 2.35 H new ATOM 141 N ALA A 10 0.088 15.417 -10.099 1.00 2.97 N ATOM 142 CA ALA A 10 -0.562 16.448 -10.910 1.00 3.26 C ATOM 143 C ALA A 10 -2.072 16.367 -10.673 1.00 3.27 C ATOM 144 O ALA A 10 -2.800 17.343 -10.865 1.00 3.43 O ATOM 145 CB ALA A 10 -0.222 16.294 -12.386 1.00 3.61 C ATOM 0 H ALA A 10 0.654 14.754 -10.629 1.00 2.97 H new ATOM 0 HA ALA A 10 -0.197 17.431 -10.612 1.00 3.26 H new ATOM 0 HB1 ALA A 10 -0.722 17.076 -12.958 1.00 3.61 H new ATOM 0 HB2 ALA A 10 0.856 16.378 -12.522 1.00 3.61 H new ATOM 0 HB3 ALA A 10 -0.557 15.318 -12.737 1.00 3.61 H new ATOM 151 N GLU A 11 -2.512 15.164 -10.247 1.00 3.14 N ATOM 152 CA GLU A 11 -3.903 14.916 -9.863 1.00 3.18 C ATOM 153 C GLU A 11 -4.113 15.350 -8.417 1.00 2.87 C ATOM 154 O GLU A 11 -5.209 15.771 -8.034 1.00 2.94 O ATOM 155 CB GLU A 11 -4.255 13.431 -9.990 1.00 3.24 C ATOM 156 CG GLU A 11 -4.195 12.889 -11.413 1.00 3.63 C ATOM 157 CD GLU A 11 -4.553 11.418 -11.492 1.00 3.78 C ATOM 158 OE1 GLU A 11 -3.637 10.577 -11.374 1.00 4.13 O ATOM 159 OE2 GLU A 11 -5.749 11.106 -11.672 1.00 3.90 O ATOM 0 H GLU A 11 -1.909 14.345 -10.163 1.00 3.14 H new ATOM 0 HA GLU A 11 -4.548 15.487 -10.531 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -3.573 12.854 -9.365 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -5.259 13.273 -9.596 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -4.876 13.459 -12.044 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -3.192 13.037 -11.812 1.00 3.63 H new ATOM 166 N PHE A 12 -3.036 15.238 -7.622 1.00 2.56 N ATOM 167 CA PHE A 12 -3.049 15.632 -6.207 1.00 2.24 C ATOM 168 C PHE A 12 -3.162 17.152 -6.044 1.00 2.30 C ATOM 169 O PHE A 12 -3.836 17.623 -5.125 1.00 2.22 O ATOM 170 CB PHE A 12 -1.792 15.127 -5.484 1.00 1.94 C ATOM 171 CG PHE A 12 -1.857 13.674 -5.064 1.00 1.85 C ATOM 172 CD1 PHE A 12 -1.797 12.648 -6.002 1.00 2.28 C ATOM 173 CD2 PHE A 12 -1.997 13.335 -3.724 1.00 2.07 C ATOM 174 CE1 PHE A 12 -1.882 11.325 -5.612 1.00 2.34 C ATOM 175 CE2 PHE A 12 -2.075 12.013 -3.333 1.00 2.03 C ATOM 176 CZ PHE A 12 -2.021 11.009 -4.279 1.00 1.90 C ATOM 0 H PHE A 12 -2.138 14.874 -7.941 1.00 2.56 H new ATOM 0 HA PHE A 12 -3.928 15.172 -5.757 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -0.931 15.266 -6.137 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -1.624 15.742 -4.600 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -1.682 12.889 -7.049 1.00 2.28 H new ATOM 0 HD2 PHE A 12 -2.045 14.115 -2.979 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -1.839 10.540 -6.352 1.00 2.34 H new ATOM 0 HE2 PHE A 12 -2.178 11.764 -2.287 1.00 2.03 H new ATOM 0 HZ PHE A 12 -2.088 9.975 -3.973 1.00 1.90 H new ATOM 186 N LYS A 13 -2.503 17.922 -6.935 1.00 2.51 N ATOM 187 CA LYS A 13 -2.568 19.395 -6.861 1.00 2.67 C ATOM 188 C LYS A 13 -3.858 19.932 -7.466 1.00 2.96 C ATOM 189 O LYS A 13 -4.253 21.056 -7.169 1.00 3.07 O ATOM 190 CB LYS A 13 -1.355 20.100 -7.498 1.00 2.86 C ATOM 191 CG LYS A 13 -0.718 19.388 -8.691 1.00 3.04 C ATOM 192 CD LYS A 13 0.701 18.900 -8.370 1.00 2.93 C ATOM 193 CE LYS A 13 1.737 20.024 -8.392 1.00 3.15 C ATOM 194 NZ LYS A 13 1.663 20.888 -7.180 1.00 3.58 N ATOM 0 H LYS A 13 -1.932 17.558 -7.698 1.00 2.51 H new ATOM 0 HA LYS A 13 -2.548 19.627 -5.796 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -1.664 21.095 -7.817 1.00 2.86 H new ATOM 0 HB3 LYS A 13 -0.593 20.234 -6.730 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -1.338 18.539 -8.981 1.00 3.04 H new ATOM 0 HG3 LYS A 13 -0.685 20.066 -9.544 1.00 3.04 H new ATOM 0 HD2 LYS A 13 0.704 18.429 -7.387 1.00 2.93 H new ATOM 0 HD3 LYS A 13 0.988 18.134 -9.091 1.00 2.93 H new ATOM 0 HE2 LYS A 13 2.735 19.593 -8.467 1.00 3.15 H new ATOM 0 HE3 LYS A 13 1.586 20.636 -9.281 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 2.566 21.389 -7.055 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 0.895 21.580 -7.294 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 1.476 20.298 -6.344 1.00 3.58 H new ATOM 208 N GLU A 14 -4.517 19.126 -8.312 1.00 3.12 N ATOM 209 CA GLU A 14 -5.792 19.528 -8.924 1.00 3.43 C ATOM 210 C GLU A 14 -6.863 19.812 -7.857 1.00 3.34 C ATOM 211 O GLU A 14 -7.664 20.739 -8.009 1.00 3.56 O ATOM 212 CB GLU A 14 -6.294 18.445 -9.884 1.00 3.67 C ATOM 213 CG GLU A 14 -5.601 18.457 -11.237 1.00 4.07 C ATOM 214 CD GLU A 14 -6.113 17.371 -12.163 1.00 4.36 C ATOM 215 OE1 GLU A 14 -5.551 16.256 -12.139 1.00 4.71 O ATOM 216 OE2 GLU A 14 -7.076 17.636 -12.913 1.00 4.52 O ATOM 0 H GLU A 14 -4.191 18.199 -8.586 1.00 3.12 H new ATOM 0 HA GLU A 14 -5.611 20.447 -9.482 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -6.152 17.468 -9.422 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -7.366 18.574 -10.034 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -5.747 19.429 -11.707 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -4.528 18.331 -11.093 1.00 4.07 H new ATOM 223 N ALA A 15 -6.861 19.004 -6.782 1.00 3.04 N ATOM 224 CA ALA A 15 -7.828 19.154 -5.687 1.00 2.97 C ATOM 225 C ALA A 15 -7.369 20.111 -4.602 1.00 2.76 C ATOM 226 O ALA A 15 -8.067 21.082 -4.303 1.00 2.91 O ATOM 227 CB ALA A 15 -8.169 17.793 -5.067 1.00 2.84 C ATOM 0 H ALA A 15 -6.198 18.240 -6.651 1.00 3.04 H new ATOM 0 HA ALA A 15 -8.720 19.588 -6.138 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -8.887 17.931 -4.258 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -8.601 17.144 -5.829 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -7.262 17.335 -4.672 1.00 2.84 H new ATOM 233 N PHE A 16 -6.208 19.820 -3.998 1.00 2.45 N ATOM 234 CA PHE A 16 -5.649 20.644 -2.920 1.00 2.28 C ATOM 235 C PHE A 16 -5.636 22.119 -3.297 1.00 2.56 C ATOM 236 O PHE A 16 -5.984 22.982 -2.491 1.00 2.60 O ATOM 237 CB PHE A 16 -4.217 20.192 -2.611 1.00 2.02 C ATOM 238 CG PHE A 16 -3.629 20.715 -1.318 1.00 1.86 C ATOM 239 CD1 PHE A 16 -3.350 22.071 -1.140 1.00 2.18 C ATOM 240 CD2 PHE A 16 -3.331 19.834 -0.290 1.00 2.17 C ATOM 241 CE1 PHE A 16 -2.796 22.518 0.050 1.00 2.21 C ATOM 242 CE2 PHE A 16 -2.784 20.276 0.888 1.00 2.07 C ATOM 243 CZ PHE A 16 -2.519 21.612 1.065 1.00 1.79 C ATOM 0 H PHE A 16 -5.635 19.012 -4.242 1.00 2.45 H new ATOM 0 HA PHE A 16 -6.281 20.517 -2.041 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -4.197 19.103 -2.583 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -3.572 20.502 -3.434 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -3.566 22.774 -1.931 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -3.533 18.781 -0.419 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -2.581 23.567 0.187 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -2.562 19.573 1.677 1.00 2.07 H new ATOM 0 HZ PHE A 16 -2.094 21.958 1.996 1.00 1.79 H new ATOM 253 N SER A 17 -5.246 22.384 -4.535 1.00 2.80 N ATOM 254 CA SER A 17 -5.151 23.733 -5.031 1.00 3.11 C ATOM 255 C SER A 17 -6.508 24.374 -5.271 1.00 3.36 C ATOM 256 O SER A 17 -6.601 25.603 -5.349 1.00 3.59 O ATOM 257 CB SER A 17 -4.326 23.775 -6.307 1.00 3.33 C ATOM 258 OG SER A 17 -2.958 23.512 -6.044 1.00 3.30 O ATOM 0 H SER A 17 -4.989 21.668 -5.215 1.00 2.80 H new ATOM 0 HA SER A 17 -4.655 24.313 -4.253 1.00 3.11 H new ATOM 0 HB2 SER A 17 -4.710 23.041 -7.015 1.00 3.33 H new ATOM 0 HB3 SER A 17 -4.427 24.754 -6.776 1.00 3.33 H new ATOM 0 HG SER A 17 -2.750 22.586 -6.289 1.00 3.30 H new ATOM 264 N LEU A 18 -7.564 23.556 -5.402 1.00 3.35 N ATOM 265 CA LEU A 18 -8.892 24.094 -5.617 1.00 3.63 C ATOM 266 C LEU A 18 -9.413 24.705 -4.321 1.00 3.56 C ATOM 267 O LEU A 18 -10.364 25.490 -4.300 1.00 3.81 O ATOM 268 CB LEU A 18 -9.821 23.022 -6.201 1.00 3.72 C ATOM 269 CG LEU A 18 -10.649 22.244 -5.192 1.00 3.54 C ATOM 270 CD1 LEU A 18 -11.977 22.941 -4.916 1.00 3.79 C ATOM 271 CD2 LEU A 18 -10.893 20.812 -5.643 1.00 3.53 C ATOM 0 H LEU A 18 -7.514 22.538 -5.362 1.00 3.35 H new ATOM 0 HA LEU A 18 -8.855 24.895 -6.356 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -10.499 23.501 -6.907 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -9.217 22.315 -6.769 1.00 3.72 H new ATOM 0 HG LEU A 18 -10.072 22.211 -4.268 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -12.548 22.362 -4.191 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -11.789 23.938 -4.517 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -12.545 23.023 -5.843 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -11.488 20.291 -4.893 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -11.428 20.816 -6.593 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -9.938 20.302 -5.766 1.00 3.53 H new ATOM 283 N PHE A 19 -8.741 24.302 -3.265 1.00 3.24 N ATOM 284 CA PHE A 19 -9.012 24.760 -1.909 1.00 3.16 C ATOM 285 C PHE A 19 -7.804 25.546 -1.396 1.00 3.11 C ATOM 286 O PHE A 19 -7.759 25.954 -0.232 1.00 3.07 O ATOM 287 CB PHE A 19 -9.263 23.566 -0.980 1.00 2.89 C ATOM 288 CG PHE A 19 -10.347 22.612 -1.424 1.00 3.01 C ATOM 289 CD1 PHE A 19 -11.688 22.965 -1.357 1.00 3.31 C ATOM 290 CD2 PHE A 19 -10.015 21.352 -1.898 1.00 3.27 C ATOM 291 CE1 PHE A 19 -12.673 22.080 -1.757 1.00 3.50 C ATOM 292 CE2 PHE A 19 -10.995 20.465 -2.299 1.00 3.41 C ATOM 293 CZ PHE A 19 -12.325 20.828 -2.229 1.00 3.37 C ATOM 0 H PHE A 19 -7.973 23.633 -3.320 1.00 3.24 H new ATOM 0 HA PHE A 19 -9.899 25.393 -1.920 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -8.333 23.008 -0.875 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -9.520 23.945 0.009 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -11.965 23.942 -0.988 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -8.977 21.060 -1.954 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -13.713 22.367 -1.701 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -10.721 19.487 -2.667 1.00 3.41 H new ATOM 0 HZ PHE A 19 -13.092 20.135 -2.542 1.00 3.37 H new ATOM 303 N ALA A 20 -6.824 25.752 -2.297 1.00 3.18 N ATOM 304 CA ALA A 20 -5.556 26.458 -1.975 1.00 3.22 C ATOM 305 C ALA A 20 -5.743 27.811 -1.269 1.00 3.51 C ATOM 306 O ALA A 20 -6.590 28.620 -1.657 1.00 3.80 O ATOM 307 CB ALA A 20 -4.728 26.661 -3.236 1.00 3.38 C ATOM 0 H ALA A 20 -6.883 25.438 -3.266 1.00 3.18 H new ATOM 0 HA ALA A 20 -5.037 25.809 -1.269 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -3.803 27.179 -2.984 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -4.493 25.692 -3.677 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -5.295 27.257 -3.951 1.00 3.38 H new ATOM 313 N LYS A 21 -4.925 28.023 -0.224 1.00 3.61 N ATOM 314 CA LYS A 21 -4.931 29.260 0.567 1.00 3.95 C ATOM 315 C LYS A 21 -3.881 30.255 0.049 1.00 3.96 C ATOM 316 O LYS A 21 -3.050 29.907 -0.796 1.00 4.13 O ATOM 317 CB LYS A 21 -4.659 28.928 2.045 1.00 4.48 C ATOM 318 CG LYS A 21 -5.901 28.878 2.931 1.00 5.04 C ATOM 319 CD LYS A 21 -6.738 27.624 2.683 1.00 4.99 C ATOM 320 CE LYS A 21 -8.047 27.962 1.991 1.00 5.12 C ATOM 321 NZ LYS A 21 -9.021 28.614 2.912 1.00 5.47 N ATOM 0 H LYS A 21 -4.240 27.338 0.095 1.00 3.61 H new ATOM 0 HA LYS A 21 -5.912 29.726 0.471 1.00 3.95 H new ATOM 0 HB2 LYS A 21 -4.153 27.964 2.099 1.00 4.48 H new ATOM 0 HB3 LYS A 21 -3.972 29.672 2.449 1.00 4.48 H new ATOM 0 HG2 LYS A 21 -5.600 28.910 3.978 1.00 5.04 H new ATOM 0 HG3 LYS A 21 -6.512 29.762 2.748 1.00 5.04 H new ATOM 0 HD2 LYS A 21 -6.172 26.921 2.072 1.00 4.99 H new ATOM 0 HD3 LYS A 21 -6.943 27.128 3.632 1.00 4.99 H new ATOM 0 HE2 LYS A 21 -7.849 28.623 1.147 1.00 5.12 H new ATOM 0 HE3 LYS A 21 -8.487 27.051 1.586 1.00 5.12 H new ATOM 0 HZ1 LYS A 21 -9.899 28.826 2.396 1.00 5.47 H new ATOM 0 HZ2 LYS A 21 -9.231 27.974 3.704 1.00 5.47 H new ATOM 0 HZ3 LYS A 21 -8.613 29.497 3.279 1.00 5.47 H new ATOM 335 N ASP A 22 -3.930 31.493 0.570 1.00 4.12 N ATOM 336 CA ASP A 22 -3.007 32.557 0.177 1.00 4.45 C ATOM 337 C ASP A 22 -1.701 32.549 0.990 1.00 4.42 C ATOM 338 O ASP A 22 -0.694 33.106 0.543 1.00 4.77 O ATOM 339 CB ASP A 22 -3.686 33.923 0.312 1.00 4.96 C ATOM 340 CG ASP A 22 -4.765 34.146 -0.732 1.00 5.21 C ATOM 341 OD1 ASP A 22 -5.934 33.798 -0.461 1.00 5.70 O ATOM 342 OD2 ASP A 22 -4.440 34.667 -1.819 1.00 5.20 O ATOM 0 H ASP A 22 -4.611 31.778 1.274 1.00 4.12 H new ATOM 0 HA ASP A 22 -2.742 32.370 -0.864 1.00 4.45 H new ATOM 0 HB2 ASP A 22 -4.125 34.010 1.306 1.00 4.96 H new ATOM 0 HB3 ASP A 22 -2.935 34.708 0.226 1.00 4.96 H new ATOM 347 N GLY A 23 -1.724 31.917 2.178 1.00 4.20 N ATOM 348 CA GLY A 23 -0.541 31.859 3.046 1.00 4.32 C ATOM 349 C GLY A 23 0.551 30.933 2.526 1.00 4.21 C ATOM 350 O GLY A 23 1.121 31.181 1.460 1.00 4.37 O ATOM 0 H GLY A 23 -2.545 31.443 2.554 1.00 4.20 H new ATOM 0 HA2 GLY A 23 -0.132 32.863 3.157 1.00 4.32 H new ATOM 0 HA3 GLY A 23 -0.845 31.527 4.039 1.00 4.32 H new ATOM 354 N ASP A 24 0.838 29.862 3.287 1.00 3.98 N ATOM 355 CA ASP A 24 1.866 28.871 2.911 1.00 3.89 C ATOM 356 C ASP A 24 1.388 27.972 1.762 1.00 3.62 C ATOM 357 O ASP A 24 2.177 27.237 1.161 1.00 3.56 O ATOM 358 CB ASP A 24 2.244 28.011 4.122 1.00 3.77 C ATOM 359 CG ASP A 24 3.019 28.786 5.171 1.00 4.13 C ATOM 360 OD1 ASP A 24 4.265 28.823 5.083 1.00 4.50 O ATOM 361 OD2 ASP A 24 2.380 29.357 6.080 1.00 4.32 O ATOM 0 H ASP A 24 0.371 29.659 4.171 1.00 3.98 H new ATOM 0 HA ASP A 24 2.744 29.420 2.569 1.00 3.89 H new ATOM 0 HB2 ASP A 24 1.338 27.605 4.572 1.00 3.77 H new ATOM 0 HB3 ASP A 24 2.841 27.163 3.788 1.00 3.77 H new ATOM 366 N GLY A 25 0.082 28.054 1.478 1.00 3.50 N ATOM 367 CA GLY A 25 -0.536 27.283 0.408 1.00 3.30 C ATOM 368 C GLY A 25 -1.052 25.986 0.951 1.00 2.90 C ATOM 369 O GLY A 25 -0.693 24.900 0.485 1.00 2.69 O ATOM 0 H GLY A 25 -0.568 28.655 1.985 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -1.352 27.852 -0.038 1.00 3.30 H new ATOM 0 HA3 GLY A 25 0.190 27.094 -0.383 1.00 3.30 H new ATOM 373 N THR A 26 -1.911 26.135 1.956 1.00 2.85 N ATOM 374 CA THR A 26 -2.483 25.015 2.665 1.00 2.53 C ATOM 375 C THR A 26 -3.988 24.862 2.424 1.00 2.45 C ATOM 376 O THR A 26 -4.593 25.658 1.699 1.00 2.66 O ATOM 377 CB THR A 26 -2.237 25.155 4.174 1.00 2.59 C ATOM 378 OG1 THR A 26 -2.878 26.325 4.700 1.00 2.84 O ATOM 379 CG2 THR A 26 -0.765 25.204 4.451 1.00 2.74 C ATOM 0 H THR A 26 -2.225 27.044 2.296 1.00 2.85 H new ATOM 0 HA THR A 26 -1.988 24.125 2.277 1.00 2.53 H new ATOM 0 HB THR A 26 -2.668 24.285 4.669 1.00 2.59 H new ATOM 0 HG1 THR A 26 -2.318 26.717 5.403 1.00 2.84 H new ATOM 0 HG21 THR A 26 -0.600 25.303 5.524 1.00 2.74 H new ATOM 0 HG22 THR A 26 -0.297 24.286 4.095 1.00 2.74 H new ATOM 0 HG23 THR A 26 -0.326 26.058 3.936 1.00 2.74 H new ATOM 387 N ILE A 27 -4.578 23.825 3.047 1.00 2.21 N ATOM 388 CA ILE A 27 -6.024 23.548 2.939 1.00 2.22 C ATOM 389 C ILE A 27 -6.520 22.948 4.252 1.00 2.15 C ATOM 390 O ILE A 27 -5.773 22.884 5.219 1.00 2.13 O ATOM 391 CB ILE A 27 -6.413 22.622 1.737 1.00 2.13 C ATOM 392 CG1 ILE A 27 -5.795 21.225 1.894 1.00 1.82 C ATOM 393 CG2 ILE A 27 -6.036 23.278 0.412 1.00 2.31 C ATOM 394 CD1 ILE A 27 -6.402 20.180 0.981 1.00 1.79 C ATOM 0 H ILE A 27 -4.073 23.161 3.634 1.00 2.21 H new ATOM 0 HA ILE A 27 -6.511 24.503 2.740 1.00 2.22 H new ATOM 0 HB ILE A 27 -7.495 22.488 1.736 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -4.725 21.288 1.697 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -5.911 20.901 2.928 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -6.314 22.620 -0.412 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -6.564 24.227 0.313 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -4.961 23.456 0.387 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -5.913 19.221 1.151 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -7.467 20.087 1.192 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -6.263 20.479 -0.058 1.00 1.79 H new ATOM 406 N THR A 28 -7.778 22.541 4.291 1.00 2.23 N ATOM 407 CA THR A 28 -8.349 21.951 5.500 1.00 2.29 C ATOM 408 C THR A 28 -8.450 20.432 5.338 1.00 2.17 C ATOM 409 O THR A 28 -7.952 19.876 4.353 1.00 2.04 O ATOM 410 CB THR A 28 -9.724 22.577 5.870 1.00 2.57 C ATOM 411 OG1 THR A 28 -10.719 22.219 4.901 1.00 2.86 O ATOM 412 CG2 THR A 28 -9.644 24.099 5.972 1.00 3.10 C ATOM 0 H THR A 28 -8.425 22.606 3.505 1.00 2.23 H new ATOM 0 HA THR A 28 -7.680 22.173 6.331 1.00 2.29 H new ATOM 0 HB THR A 28 -10.004 22.180 6.846 1.00 2.57 H new ATOM 0 HG1 THR A 28 -11.093 23.032 4.500 1.00 2.86 H new ATOM 0 HG21 THR A 28 -10.624 24.498 6.232 1.00 3.10 H new ATOM 0 HG22 THR A 28 -8.924 24.375 6.742 1.00 3.10 H new ATOM 0 HG23 THR A 28 -9.327 24.512 5.014 1.00 3.10 H new ATOM 420 N THR A 29 -9.090 19.770 6.299 1.00 2.30 N ATOM 421 CA THR A 29 -9.181 18.314 6.298 1.00 2.30 C ATOM 422 C THR A 29 -10.367 17.727 5.537 1.00 2.50 C ATOM 423 O THR A 29 -10.196 16.776 4.770 1.00 2.44 O ATOM 424 CB THR A 29 -9.173 17.773 7.712 1.00 2.48 C ATOM 425 OG1 THR A 29 -10.059 18.523 8.555 1.00 2.75 O ATOM 426 CG2 THR A 29 -7.754 17.829 8.238 1.00 2.32 C ATOM 0 H THR A 29 -9.553 20.220 7.088 1.00 2.30 H new ATOM 0 HA THR A 29 -8.294 17.993 5.752 1.00 2.30 H new ATOM 0 HB THR A 29 -9.526 16.742 7.711 1.00 2.48 H new ATOM 0 HG1 THR A 29 -10.038 18.154 9.463 1.00 2.75 H new ATOM 0 HG21 THR A 29 -7.728 17.443 9.257 1.00 2.32 H new ATOM 0 HG22 THR A 29 -7.107 17.223 7.604 1.00 2.32 H new ATOM 0 HG23 THR A 29 -7.404 18.861 8.232 1.00 2.32 H new ATOM 434 N LYS A 30 -11.566 18.267 5.765 1.00 2.77 N ATOM 435 CA LYS A 30 -12.794 17.775 5.101 1.00 3.04 C ATOM 436 C LYS A 30 -12.657 17.708 3.566 1.00 2.98 C ATOM 437 O LYS A 30 -13.070 16.727 2.942 1.00 3.14 O ATOM 438 CB LYS A 30 -14.023 18.629 5.496 1.00 3.33 C ATOM 439 CG LYS A 30 -13.844 20.146 5.357 1.00 3.42 C ATOM 440 CD LYS A 30 -13.501 20.795 6.692 1.00 3.38 C ATOM 441 CE LYS A 30 -13.360 22.306 6.565 1.00 3.68 C ATOM 442 NZ LYS A 30 -14.678 22.982 6.391 1.00 3.70 N ATOM 0 H LYS A 30 -11.722 19.047 6.404 1.00 2.77 H new ATOM 0 HA LYS A 30 -12.945 16.755 5.454 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -14.869 18.323 4.881 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -14.283 18.404 6.531 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -13.053 20.355 4.636 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -14.760 20.586 4.962 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -14.278 20.562 7.420 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -12.571 20.374 7.073 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -12.866 22.699 7.454 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -12.719 22.539 5.715 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -14.537 24.011 6.343 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -15.124 22.652 5.511 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -15.294 22.755 7.198 1.00 3.70 H new ATOM 456 N GLU A 31 -12.075 18.760 2.984 1.00 2.81 N ATOM 457 CA GLU A 31 -11.878 18.859 1.529 1.00 2.81 C ATOM 458 C GLU A 31 -10.545 18.267 1.049 1.00 2.52 C ATOM 459 O GLU A 31 -10.341 18.152 -0.165 1.00 2.57 O ATOM 460 CB GLU A 31 -12.000 20.327 1.086 1.00 2.89 C ATOM 461 CG GLU A 31 -13.351 20.978 1.401 1.00 3.24 C ATOM 462 CD GLU A 31 -14.496 20.451 0.547 1.00 3.22 C ATOM 463 OE1 GLU A 31 -14.818 19.248 0.660 1.00 3.26 O ATOM 464 OE2 GLU A 31 -15.074 21.243 -0.226 1.00 3.60 O ATOM 0 H GLU A 31 -11.727 19.566 3.503 1.00 2.81 H new ATOM 0 HA GLU A 31 -12.661 18.259 1.065 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -11.212 20.905 1.568 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -11.826 20.384 0.012 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -13.588 20.814 2.452 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -13.268 22.055 1.258 1.00 3.24 H new ATOM 471 N LEU A 32 -9.635 17.883 1.970 1.00 2.26 N ATOM 472 CA LEU A 32 -8.344 17.308 1.548 1.00 1.98 C ATOM 473 C LEU A 32 -8.496 15.888 1.052 1.00 2.07 C ATOM 474 O LEU A 32 -7.771 15.453 0.161 1.00 1.98 O ATOM 475 CB LEU A 32 -7.259 17.394 2.619 1.00 1.69 C ATOM 476 CG LEU A 32 -7.430 16.695 3.974 1.00 1.74 C ATOM 477 CD1 LEU A 32 -7.245 15.183 3.922 1.00 1.76 C ATOM 478 CD2 LEU A 32 -6.380 17.266 4.860 1.00 1.59 C ATOM 0 H LEU A 32 -9.765 17.958 2.979 1.00 2.26 H new ATOM 0 HA LEU A 32 -8.010 17.929 0.717 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -6.341 17.010 2.175 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -7.095 18.452 2.824 1.00 1.69 H new ATOM 0 HG LEU A 32 -8.449 16.861 4.323 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -7.382 14.765 4.919 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -7.979 14.750 3.243 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -6.241 14.951 3.566 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -6.448 16.807 5.847 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -5.397 17.067 4.434 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -6.525 18.343 4.950 1.00 1.59 H new ATOM 490 N GLY A 33 -9.420 15.161 1.668 1.00 2.31 N ATOM 491 CA GLY A 33 -9.718 13.807 1.232 1.00 2.52 C ATOM 492 C GLY A 33 -10.262 13.804 -0.167 1.00 2.75 C ATOM 493 O GLY A 33 -10.299 12.771 -0.825 1.00 2.91 O ATOM 0 H GLY A 33 -9.970 15.484 2.464 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -8.815 13.199 1.277 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -10.442 13.353 1.909 1.00 2.52 H new ATOM 497 N THR A 34 -10.729 14.986 -0.593 1.00 2.81 N ATOM 498 CA THR A 34 -11.225 15.193 -1.938 1.00 3.07 C ATOM 499 C THR A 34 -10.061 15.094 -2.913 1.00 2.93 C ATOM 500 O THR A 34 -10.225 14.921 -4.124 1.00 3.16 O ATOM 501 CB THR A 34 -12.033 16.516 -2.073 1.00 3.23 C ATOM 502 OG1 THR A 34 -13.036 16.567 -1.052 1.00 3.30 O ATOM 503 CG2 THR A 34 -12.713 16.642 -3.437 1.00 3.60 C ATOM 0 H THR A 34 -10.769 15.819 -0.005 1.00 2.81 H new ATOM 0 HA THR A 34 -11.942 14.410 -2.183 1.00 3.07 H new ATOM 0 HB THR A 34 -11.328 17.341 -1.969 1.00 3.23 H new ATOM 0 HG1 THR A 34 -13.545 17.401 -1.135 1.00 3.30 H new ATOM 0 HG21 THR A 34 -13.264 17.581 -3.483 1.00 3.60 H new ATOM 0 HG22 THR A 34 -11.958 16.625 -4.223 1.00 3.60 H new ATOM 0 HG23 THR A 34 -13.402 15.809 -3.578 1.00 3.60 H new ATOM 511 N VAL A 35 -8.895 15.217 -2.311 1.00 2.56 N ATOM 512 CA VAL A 35 -7.613 15.042 -2.989 1.00 2.39 C ATOM 513 C VAL A 35 -7.316 13.552 -2.932 1.00 2.44 C ATOM 514 O VAL A 35 -6.724 13.003 -3.860 1.00 2.53 O ATOM 515 CB VAL A 35 -6.383 15.770 -2.341 1.00 2.01 C ATOM 516 CG1 VAL A 35 -5.160 15.677 -3.252 1.00 1.92 C ATOM 517 CG2 VAL A 35 -6.642 17.230 -2.012 1.00 2.02 C ATOM 0 H VAL A 35 -8.803 15.445 -1.321 1.00 2.56 H new ATOM 0 HA VAL A 35 -7.723 15.473 -3.984 1.00 2.39 H new ATOM 0 HB VAL A 35 -6.200 15.252 -1.400 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -4.318 16.188 -2.784 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -4.905 14.630 -3.413 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -5.383 16.147 -4.210 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -5.748 17.667 -1.568 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -6.894 17.769 -2.925 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -7.470 17.303 -1.307 1.00 2.02 H new ATOM 527 N MET A 36 -7.743 12.903 -1.816 1.00 2.44 N ATOM 528 CA MET A 36 -7.505 11.481 -1.643 1.00 2.55 C ATOM 529 C MET A 36 -8.546 10.633 -2.382 1.00 2.97 C ATOM 530 O MET A 36 -8.247 9.517 -2.818 1.00 3.11 O ATOM 531 CB MET A 36 -7.512 11.100 -0.167 1.00 2.49 C ATOM 532 CG MET A 36 -6.630 9.896 0.162 1.00 2.24 C ATOM 533 SD MET A 36 -6.686 9.419 1.902 1.00 2.48 S ATOM 534 CE MET A 36 -5.617 10.650 2.649 1.00 1.96 C ATOM 0 H MET A 36 -8.243 13.349 -1.047 1.00 2.44 H new ATOM 0 HA MET A 36 -6.522 11.277 -2.068 1.00 2.55 H new ATOM 0 HB2 MET A 36 -7.178 11.955 0.421 1.00 2.49 H new ATOM 0 HB3 MET A 36 -8.536 10.883 0.138 1.00 2.49 H new ATOM 0 HG2 MET A 36 -6.942 9.049 -0.449 1.00 2.24 H new ATOM 0 HG3 MET A 36 -5.600 10.124 -0.111 1.00 2.24 H new ATOM 0 HE1 MET A 36 -5.862 10.752 3.706 1.00 1.96 H new ATOM 0 HE2 MET A 36 -4.577 10.340 2.546 1.00 1.96 H new ATOM 0 HE3 MET A 36 -5.761 11.608 2.149 1.00 1.96 H new ATOM 544 N ARG A 37 -9.772 11.164 -2.500 1.00 3.18 N ATOM 545 CA ARG A 37 -10.858 10.471 -3.147 1.00 3.60 C ATOM 546 C ARG A 37 -10.744 10.544 -4.691 1.00 3.77 C ATOM 547 O ARG A 37 -11.362 9.752 -5.409 1.00 4.10 O ATOM 548 CB ARG A 37 -12.180 11.070 -2.607 1.00 3.78 C ATOM 549 CG ARG A 37 -13.283 11.290 -3.629 1.00 4.18 C ATOM 550 CD ARG A 37 -14.031 10.001 -3.937 1.00 4.52 C ATOM 551 NE ARG A 37 -14.928 10.143 -5.089 1.00 4.90 N ATOM 552 CZ ARG A 37 -15.736 9.179 -5.551 1.00 5.36 C ATOM 553 NH1 ARG A 37 -15.780 7.980 -4.972 1.00 5.45 N ATOM 554 NH2 ARG A 37 -16.507 9.419 -6.603 1.00 5.91 N ATOM 0 H ARG A 37 -10.022 12.087 -2.144 1.00 3.18 H new ATOM 0 HA ARG A 37 -10.827 9.406 -2.916 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -12.562 10.411 -1.827 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -11.955 12.026 -2.134 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -13.983 12.036 -3.254 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -12.853 11.690 -4.548 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -13.313 9.204 -4.133 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -14.609 9.701 -3.063 1.00 4.52 H new ATOM 0 HE ARG A 37 -14.937 11.041 -5.573 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -15.192 7.783 -4.162 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -16.402 7.259 -5.338 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -16.483 10.333 -7.055 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -17.124 8.690 -6.960 1.00 5.91 H new ATOM 568 N SER A 38 -9.931 11.494 -5.167 1.00 3.57 N ATOM 569 CA SER A 38 -9.727 11.746 -6.605 1.00 3.76 C ATOM 570 C SER A 38 -8.908 10.655 -7.323 1.00 3.81 C ATOM 571 O SER A 38 -9.274 10.244 -8.428 1.00 4.08 O ATOM 572 CB SER A 38 -9.051 13.108 -6.796 1.00 3.59 C ATOM 573 OG SER A 38 -9.080 13.515 -8.155 1.00 3.89 O ATOM 0 H SER A 38 -9.391 12.115 -4.565 1.00 3.57 H new ATOM 0 HA SER A 38 -10.717 11.734 -7.062 1.00 3.76 H new ATOM 0 HB2 SER A 38 -9.553 13.854 -6.180 1.00 3.59 H new ATOM 0 HB3 SER A 38 -8.018 13.054 -6.453 1.00 3.59 H new ATOM 0 HG SER A 38 -8.643 14.388 -8.245 1.00 3.89 H new ATOM 579 N LEU A 39 -7.809 10.190 -6.701 1.00 3.59 N ATOM 580 CA LEU A 39 -6.935 9.157 -7.314 1.00 3.65 C ATOM 581 C LEU A 39 -7.596 7.770 -7.316 1.00 3.91 C ATOM 582 O LEU A 39 -7.125 6.850 -7.994 1.00 4.06 O ATOM 583 CB LEU A 39 -5.548 9.032 -6.604 1.00 3.29 C ATOM 584 CG LEU A 39 -5.033 10.183 -5.699 1.00 3.06 C ATOM 585 CD1 LEU A 39 -5.016 11.529 -6.410 1.00 2.78 C ATOM 586 CD2 LEU A 39 -5.817 10.270 -4.399 1.00 3.19 C ATOM 0 H LEU A 39 -7.502 10.506 -5.781 1.00 3.59 H new ATOM 0 HA LEU A 39 -6.780 9.497 -8.338 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -5.576 8.128 -5.995 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -4.800 8.870 -7.380 1.00 3.29 H new ATOM 0 HG LEU A 39 -3.999 9.936 -5.458 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -4.647 12.296 -5.729 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -4.363 11.472 -7.281 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -6.026 11.784 -6.730 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -5.427 11.087 -3.793 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -6.869 10.452 -4.620 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -5.718 9.333 -3.851 1.00 3.19 H new ATOM 598 N GLY A 40 -8.686 7.645 -6.562 1.00 4.01 N ATOM 599 CA GLY A 40 -9.401 6.380 -6.447 1.00 4.30 C ATOM 600 C GLY A 40 -9.232 5.776 -5.066 1.00 4.16 C ATOM 601 O GLY A 40 -9.188 4.552 -4.912 1.00 4.36 O ATOM 0 H GLY A 40 -9.093 8.408 -6.021 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -10.460 6.539 -6.650 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -9.033 5.682 -7.199 1.00 4.30 H new ATOM 605 N GLN A 41 -9.138 6.659 -4.067 1.00 3.86 N ATOM 606 CA GLN A 41 -8.955 6.281 -2.669 1.00 3.74 C ATOM 607 C GLN A 41 -9.860 7.158 -1.806 1.00 3.60 C ATOM 608 O GLN A 41 -10.628 7.953 -2.340 1.00 3.46 O ATOM 609 CB GLN A 41 -7.481 6.461 -2.246 1.00 3.47 C ATOM 610 CG GLN A 41 -6.512 5.465 -2.877 1.00 3.68 C ATOM 611 CD GLN A 41 -5.682 6.077 -3.989 1.00 3.94 C ATOM 612 OE1 GLN A 41 -4.621 6.650 -3.742 1.00 4.34 O ATOM 613 NE2 GLN A 41 -6.155 5.951 -5.222 1.00 4.15 N ATOM 0 H GLN A 41 -9.188 7.667 -4.212 1.00 3.86 H new ATOM 0 HA GLN A 41 -9.217 5.231 -2.538 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -7.163 7.471 -2.505 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -7.415 6.375 -1.161 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -5.847 5.074 -2.107 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -7.074 4.619 -3.273 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -7.039 5.468 -5.382 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -5.635 6.337 -6.010 1.00 4.15 H new ATOM 622 N ASN A 42 -9.818 6.980 -0.483 1.00 3.76 N ATOM 623 CA ASN A 42 -10.614 7.796 0.431 1.00 3.68 C ATOM 624 C ASN A 42 -10.050 7.685 1.869 1.00 3.53 C ATOM 625 O ASN A 42 -9.674 6.582 2.277 1.00 3.67 O ATOM 626 CB ASN A 42 -12.114 7.406 0.411 1.00 4.06 C ATOM 627 CG ASN A 42 -12.364 5.912 0.588 1.00 4.60 C ATOM 628 OD1 ASN A 42 -12.515 5.425 1.708 1.00 4.82 O ATOM 629 ND2 ASN A 42 -12.406 5.184 -0.522 1.00 5.19 N ATOM 0 H ASN A 42 -9.240 6.277 -0.023 1.00 3.76 H new ATOM 0 HA ASN A 42 -10.545 8.829 0.091 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -12.631 7.948 1.203 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -12.551 7.729 -0.534 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -12.569 4.179 -0.467 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -12.275 5.630 -1.430 1.00 5.19 H new ATOM 636 N PRO A 43 -9.976 8.799 2.665 1.00 3.30 N ATOM 637 CA PRO A 43 -9.441 8.763 4.037 1.00 3.22 C ATOM 638 C PRO A 43 -10.502 8.460 5.105 1.00 3.54 C ATOM 639 O PRO A 43 -11.698 8.396 4.802 1.00 3.81 O ATOM 640 CB PRO A 43 -8.886 10.185 4.234 1.00 2.89 C ATOM 641 CG PRO A 43 -9.365 11.002 3.067 1.00 2.92 C ATOM 642 CD PRO A 43 -10.384 10.176 2.328 1.00 3.17 C ATOM 0 HA PRO A 43 -8.706 7.967 4.151 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -9.237 10.610 5.174 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -7.797 10.173 4.277 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -9.805 11.939 3.409 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -8.533 11.261 2.412 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -11.400 10.392 2.659 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -10.353 10.358 1.254 1.00 3.17 H new ATOM 650 N THR A 44 -10.041 8.275 6.354 1.00 3.56 N ATOM 651 CA THR A 44 -10.925 8.006 7.495 1.00 3.90 C ATOM 652 C THR A 44 -11.412 9.332 8.106 1.00 3.85 C ATOM 653 O THR A 44 -10.871 10.395 7.792 1.00 3.54 O ATOM 654 CB THR A 44 -10.213 7.156 8.581 1.00 4.01 C ATOM 655 OG1 THR A 44 -9.238 6.295 7.977 1.00 3.86 O ATOM 656 CG2 THR A 44 -11.212 6.305 9.360 1.00 4.50 C ATOM 0 H THR A 44 -9.051 8.308 6.597 1.00 3.56 H new ATOM 0 HA THR A 44 -11.779 7.436 7.128 1.00 3.90 H new ATOM 0 HB THR A 44 -9.724 7.845 9.270 1.00 4.01 H new ATOM 0 HG1 THR A 44 -8.445 6.245 8.551 1.00 3.86 H new ATOM 0 HG21 THR A 44 -10.683 5.721 10.113 1.00 4.50 H new ATOM 0 HG22 THR A 44 -11.939 6.953 9.848 1.00 4.50 H new ATOM 0 HG23 THR A 44 -11.728 5.632 8.676 1.00 4.50 H new ATOM 664 N GLU A 45 -12.427 9.258 8.976 1.00 4.21 N ATOM 665 CA GLU A 45 -13.009 10.451 9.615 1.00 4.27 C ATOM 666 C GLU A 45 -12.183 10.975 10.799 1.00 4.16 C ATOM 667 O GLU A 45 -12.124 12.188 11.022 1.00 4.02 O ATOM 668 CB GLU A 45 -14.437 10.154 10.085 1.00 4.73 C ATOM 669 CG GLU A 45 -15.453 10.069 8.954 1.00 4.87 C ATOM 670 CD GLU A 45 -16.856 9.780 9.452 1.00 5.41 C ATOM 671 OE1 GLU A 45 -17.596 10.745 9.736 1.00 5.67 O ATOM 672 OE2 GLU A 45 -17.214 8.588 9.557 1.00 5.89 O ATOM 0 H GLU A 45 -12.866 8.381 9.256 1.00 4.21 H new ATOM 0 HA GLU A 45 -13.010 11.233 8.855 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -14.440 9.213 10.635 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -14.749 10.931 10.783 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -15.454 11.008 8.400 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -15.151 9.288 8.257 1.00 4.87 H new ATOM 679 N ALA A 46 -11.551 10.064 11.549 1.00 4.29 N ATOM 680 CA ALA A 46 -10.759 10.440 12.730 1.00 4.30 C ATOM 681 C ALA A 46 -9.272 10.654 12.432 1.00 3.96 C ATOM 682 O ALA A 46 -8.581 11.317 13.211 1.00 3.93 O ATOM 683 CB ALA A 46 -10.914 9.386 13.814 1.00 4.70 C ATOM 0 H ALA A 46 -11.572 9.062 11.361 1.00 4.29 H new ATOM 0 HA ALA A 46 -11.151 11.400 13.067 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -10.325 9.671 14.686 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -11.964 9.306 14.096 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -10.565 8.424 13.439 1.00 4.70 H new ATOM 689 N GLU A 47 -8.779 10.099 11.315 1.00 3.76 N ATOM 690 CA GLU A 47 -7.365 10.212 10.950 1.00 3.47 C ATOM 691 C GLU A 47 -6.995 11.553 10.334 1.00 3.09 C ATOM 692 O GLU A 47 -5.853 11.995 10.483 1.00 2.91 O ATOM 693 CB GLU A 47 -6.949 9.067 10.021 1.00 3.43 C ATOM 694 CG GLU A 47 -6.787 7.731 10.731 1.00 3.78 C ATOM 695 CD GLU A 47 -6.237 6.649 9.822 1.00 3.77 C ATOM 696 OE1 GLU A 47 -7.020 5.773 9.400 1.00 3.72 O ATOM 697 OE2 GLU A 47 -5.022 6.678 9.533 1.00 4.19 O ATOM 0 H GLU A 47 -9.342 9.568 10.650 1.00 3.76 H new ATOM 0 HA GLU A 47 -6.811 10.142 11.886 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -7.694 8.961 9.233 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -6.008 9.328 9.537 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -6.121 7.856 11.585 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -7.753 7.413 11.124 1.00 3.78 H new ATOM 704 N LEU A 48 -7.946 12.202 9.648 1.00 3.03 N ATOM 705 CA LEU A 48 -7.700 13.522 9.030 1.00 2.71 C ATOM 706 C LEU A 48 -7.219 14.530 10.065 1.00 2.75 C ATOM 707 O LEU A 48 -6.554 15.504 9.737 1.00 2.53 O ATOM 708 CB LEU A 48 -8.949 14.096 8.377 1.00 2.77 C ATOM 709 CG LEU A 48 -9.782 13.144 7.530 1.00 2.90 C ATOM 710 CD1 LEU A 48 -11.266 13.434 7.700 1.00 3.19 C ATOM 711 CD2 LEU A 48 -9.375 13.285 6.083 1.00 2.63 C ATOM 0 H LEU A 48 -8.889 11.841 9.505 1.00 3.03 H new ATOM 0 HA LEU A 48 -6.937 13.356 8.270 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -9.588 14.499 9.163 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -8.649 14.935 7.749 1.00 2.77 H new ATOM 0 HG LEU A 48 -9.603 12.120 7.857 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -11.844 12.743 7.087 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -11.543 13.309 8.747 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -11.475 14.458 7.389 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -9.968 12.606 5.470 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -9.545 14.311 5.756 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -8.318 13.040 5.977 1.00 2.63 H new ATOM 723 N GLN A 49 -7.606 14.289 11.311 1.00 3.08 N ATOM 724 CA GLN A 49 -7.214 15.132 12.430 1.00 3.22 C ATOM 725 C GLN A 49 -5.835 14.743 12.973 1.00 3.25 C ATOM 726 O GLN A 49 -5.068 15.622 13.366 1.00 3.25 O ATOM 727 CB GLN A 49 -8.250 15.041 13.554 1.00 3.61 C ATOM 728 CG GLN A 49 -9.565 15.743 13.242 1.00 3.67 C ATOM 729 CD GLN A 49 -10.563 15.643 14.378 1.00 4.10 C ATOM 730 OE1 GLN A 49 -10.599 16.496 15.265 1.00 4.58 O ATOM 731 NE2 GLN A 49 -11.382 14.598 14.357 1.00 4.30 N ATOM 0 H GLN A 49 -8.201 13.503 11.573 1.00 3.08 H new ATOM 0 HA GLN A 49 -7.161 16.157 12.063 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -8.452 13.991 13.764 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -7.826 15.472 14.461 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -9.370 16.793 13.026 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -10.000 15.308 12.342 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -11.318 13.915 13.602 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -12.076 14.479 15.095 1.00 4.30 H new ATOM 740 N ASP A 50 -5.527 13.429 13.004 1.00 3.34 N ATOM 741 CA ASP A 50 -4.242 12.960 13.545 1.00 3.43 C ATOM 742 C ASP A 50 -3.082 12.875 12.536 1.00 3.13 C ATOM 743 O ASP A 50 -2.027 13.455 12.792 1.00 3.13 O ATOM 744 CB ASP A 50 -4.383 11.627 14.252 1.00 3.76 C ATOM 745 CG ASP A 50 -5.326 11.677 15.442 1.00 4.11 C ATOM 746 OD1 ASP A 50 -6.536 11.433 15.250 1.00 4.38 O ATOM 747 OD2 ASP A 50 -4.854 11.959 16.563 1.00 4.38 O ATOM 0 H ASP A 50 -6.141 12.688 12.666 1.00 3.34 H new ATOM 0 HA ASP A 50 -3.971 13.743 14.253 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -4.744 10.883 13.542 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -3.401 11.296 14.589 1.00 3.76 H new ATOM 752 N MET A 51 -3.230 12.136 11.406 1.00 2.93 N ATOM 753 CA MET A 51 -2.101 12.019 10.444 1.00 2.66 C ATOM 754 C MET A 51 -1.799 13.344 9.788 1.00 2.39 C ATOM 755 O MET A 51 -0.644 13.638 9.468 1.00 2.30 O ATOM 756 CB MET A 51 -2.261 10.878 9.415 1.00 2.59 C ATOM 757 CG MET A 51 -3.662 10.654 8.885 1.00 2.35 C ATOM 758 SD MET A 51 -4.025 11.636 7.429 1.00 2.18 S ATOM 759 CE MET A 51 -5.757 11.265 7.294 1.00 2.48 C ATOM 0 H MET A 51 -4.078 11.633 11.145 1.00 2.93 H new ATOM 0 HA MET A 51 -1.234 11.733 11.039 1.00 2.66 H new ATOM 0 HB2 MET A 51 -1.603 11.082 8.571 1.00 2.59 H new ATOM 0 HB3 MET A 51 -1.915 9.951 9.873 1.00 2.59 H new ATOM 0 HG2 MET A 51 -3.790 9.598 8.646 1.00 2.35 H new ATOM 0 HG3 MET A 51 -4.383 10.893 9.667 1.00 2.35 H new ATOM 0 HE1 MET A 51 -6.262 12.073 6.765 1.00 2.48 H new ATOM 0 HE2 MET A 51 -5.888 10.334 6.743 1.00 2.48 H new ATOM 0 HE3 MET A 51 -6.185 11.160 8.291 1.00 2.48 H new ATOM 769 N ILE A 52 -2.837 14.148 9.622 1.00 2.33 N ATOM 770 CA ILE A 52 -2.708 15.491 9.088 1.00 2.15 C ATOM 771 C ILE A 52 -2.050 16.385 10.135 1.00 2.40 C ATOM 772 O ILE A 52 -1.455 17.400 9.815 1.00 2.36 O ATOM 773 CB ILE A 52 -4.098 16.020 8.655 1.00 2.10 C ATOM 774 CG1 ILE A 52 -4.252 15.841 7.157 1.00 1.78 C ATOM 775 CG2 ILE A 52 -4.360 17.471 9.058 1.00 2.22 C ATOM 776 CD1 ILE A 52 -5.276 14.801 6.778 1.00 1.85 C ATOM 0 H ILE A 52 -3.795 13.885 9.855 1.00 2.33 H new ATOM 0 HA ILE A 52 -2.073 15.489 8.202 1.00 2.15 H new ATOM 0 HB ILE A 52 -4.846 15.433 9.188 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -4.533 16.795 6.712 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -3.288 15.562 6.731 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -5.353 17.769 8.720 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -4.303 17.563 10.143 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -3.612 18.117 8.599 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -5.334 14.726 5.692 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -4.986 13.836 7.194 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -6.250 15.088 7.174 1.00 1.85 H new ATOM 788 N ASN A 53 -2.145 15.945 11.386 1.00 2.72 N ATOM 789 CA ASN A 53 -1.566 16.638 12.529 1.00 3.03 C ATOM 790 C ASN A 53 -0.070 16.460 12.567 1.00 3.09 C ATOM 791 O ASN A 53 0.651 17.083 13.342 1.00 3.36 O ATOM 792 CB ASN A 53 -2.209 16.107 13.814 1.00 3.37 C ATOM 793 CG ASN A 53 -1.887 16.927 15.055 1.00 3.66 C ATOM 794 OD1 ASN A 53 -2.604 17.869 15.394 1.00 3.89 O ATOM 795 ND2 ASN A 53 -0.804 16.571 15.735 1.00 3.98 N ATOM 0 H ASN A 53 -2.633 15.085 11.636 1.00 2.72 H new ATOM 0 HA ASN A 53 -1.765 17.706 12.439 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -3.291 16.078 13.681 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -1.880 15.080 13.975 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -0.537 17.085 16.575 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -0.239 15.784 15.418 1.00 3.98 H new ATOM 802 N GLU A 54 0.331 15.546 11.760 1.00 2.90 N ATOM 803 CA GLU A 54 1.733 15.216 11.567 1.00 2.96 C ATOM 804 C GLU A 54 2.363 16.111 10.500 1.00 2.77 C ATOM 805 O GLU A 54 3.586 16.272 10.457 1.00 2.93 O ATOM 806 CB GLU A 54 1.876 13.738 11.171 1.00 2.91 C ATOM 807 CG GLU A 54 1.586 12.757 12.305 1.00 3.22 C ATOM 808 CD GLU A 54 2.755 12.594 13.261 1.00 3.25 C ATOM 809 OE1 GLU A 54 3.601 11.708 13.019 1.00 3.56 O ATOM 810 OE2 GLU A 54 2.823 13.353 14.251 1.00 3.40 O ATOM 0 H GLU A 54 -0.304 14.983 11.194 1.00 2.90 H new ATOM 0 HA GLU A 54 2.258 15.386 12.507 1.00 2.96 H new ATOM 0 HB2 GLU A 54 1.200 13.528 10.342 1.00 2.91 H new ATOM 0 HB3 GLU A 54 2.889 13.567 10.807 1.00 2.91 H new ATOM 0 HG2 GLU A 54 0.714 13.101 12.861 1.00 3.22 H new ATOM 0 HG3 GLU A 54 1.332 11.785 11.882 1.00 3.22 H new ATOM 817 N VAL A 55 1.511 16.686 9.647 1.00 2.49 N ATOM 818 CA VAL A 55 1.966 17.562 8.565 1.00 2.36 C ATOM 819 C VAL A 55 1.264 18.923 8.559 1.00 2.40 C ATOM 820 O VAL A 55 1.791 19.882 7.983 1.00 2.49 O ATOM 821 CB VAL A 55 1.841 16.845 7.182 1.00 1.99 C ATOM 822 CG1 VAL A 55 2.027 17.790 5.993 1.00 2.37 C ATOM 823 CG2 VAL A 55 2.847 15.708 7.095 1.00 2.07 C ATOM 0 H VAL A 55 0.500 16.560 9.685 1.00 2.49 H new ATOM 0 HA VAL A 55 3.020 17.771 8.751 1.00 2.36 H new ATOM 0 HB VAL A 55 0.824 16.458 7.122 1.00 1.99 H new ATOM 0 HG11 VAL A 55 1.928 17.229 5.064 1.00 2.37 H new ATOM 0 HG12 VAL A 55 1.268 18.572 6.027 1.00 2.37 H new ATOM 0 HG13 VAL A 55 3.017 18.243 6.040 1.00 2.37 H new ATOM 0 HG21 VAL A 55 2.754 15.213 6.128 1.00 2.07 H new ATOM 0 HG22 VAL A 55 3.856 16.106 7.203 1.00 2.07 H new ATOM 0 HG23 VAL A 55 2.653 14.989 7.891 1.00 2.07 H new ATOM 833 N ALA A 56 0.116 19.029 9.215 1.00 2.43 N ATOM 834 CA ALA A 56 -0.609 20.290 9.233 1.00 2.53 C ATOM 835 C ALA A 56 -0.394 20.960 10.580 1.00 2.90 C ATOM 836 O ALA A 56 -1.079 21.921 10.951 1.00 3.05 O ATOM 837 CB ALA A 56 -2.076 20.057 8.920 1.00 2.36 C ATOM 0 H ALA A 56 -0.327 18.270 9.733 1.00 2.43 H new ATOM 0 HA ALA A 56 -0.231 20.960 8.461 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -2.607 21.009 8.937 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -2.170 19.606 7.932 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -2.506 19.389 9.666 1.00 2.36 H new ATOM 843 N ALA A 57 0.604 20.427 11.290 1.00 3.08 N ATOM 844 CA ALA A 57 0.989 20.911 12.594 1.00 3.45 C ATOM 845 C ALA A 57 2.300 21.660 12.541 1.00 3.67 C ATOM 846 O ALA A 57 3.289 21.204 11.963 1.00 3.69 O ATOM 847 CB ALA A 57 1.063 19.779 13.597 1.00 3.64 C ATOM 0 H ALA A 57 1.165 19.641 10.962 1.00 3.08 H new ATOM 0 HA ALA A 57 0.218 21.608 12.922 1.00 3.45 H new ATOM 0 HB1 ALA A 57 1.355 20.174 14.570 1.00 3.64 H new ATOM 0 HB2 ALA A 57 0.087 19.300 13.678 1.00 3.64 H new ATOM 0 HB3 ALA A 57 1.800 19.047 13.266 1.00 3.64 H new ATOM 853 N ASP A 58 2.255 22.816 13.187 1.00 3.94 N ATOM 854 CA ASP A 58 3.354 23.788 13.298 1.00 4.23 C ATOM 855 C ASP A 58 2.777 25.081 13.858 1.00 4.25 C ATOM 856 O ASP A 58 3.513 25.987 14.261 1.00 4.54 O ATOM 857 CB ASP A 58 4.030 24.086 11.943 1.00 4.40 C ATOM 858 CG ASP A 58 5.344 23.348 11.773 1.00 4.54 C ATOM 859 OD1 ASP A 58 5.397 22.411 10.949 1.00 4.74 O ATOM 860 OD2 ASP A 58 6.320 23.706 12.465 1.00 4.85 O ATOM 0 H ASP A 58 1.414 23.125 13.675 1.00 3.94 H new ATOM 0 HA ASP A 58 4.119 23.364 13.949 1.00 4.23 H new ATOM 0 HB2 ASP A 58 3.354 23.808 11.135 1.00 4.40 H new ATOM 0 HB3 ASP A 58 4.206 25.158 11.857 1.00 4.40 H new ATOM 865 N GLY A 59 1.434 25.137 13.877 1.00 4.05 N ATOM 866 CA GLY A 59 0.726 26.308 14.373 1.00 4.27 C ATOM 867 C GLY A 59 0.175 27.179 13.256 1.00 4.03 C ATOM 868 O GLY A 59 0.343 28.402 13.281 1.00 4.23 O ATOM 0 H GLY A 59 0.828 24.383 13.554 1.00 4.05 H new ATOM 0 HA2 GLY A 59 -0.094 25.986 15.015 1.00 4.27 H new ATOM 0 HA3 GLY A 59 1.401 26.901 14.991 1.00 4.27 H new ATOM 872 N ASN A 60 -0.483 26.544 12.278 1.00 3.90 N ATOM 873 CA ASN A 60 -1.074 27.257 11.138 1.00 3.86 C ATOM 874 C ASN A 60 -2.591 27.099 11.117 1.00 3.69 C ATOM 875 O ASN A 60 -3.320 28.023 10.745 1.00 3.78 O ATOM 876 CB ASN A 60 -0.475 26.758 9.818 1.00 3.90 C ATOM 877 CG ASN A 60 0.978 27.161 9.646 1.00 4.10 C ATOM 878 OD1 ASN A 60 1.888 26.436 10.047 1.00 4.42 O ATOM 879 ND2 ASN A 60 1.202 28.325 9.046 1.00 4.29 N ATOM 0 H ASN A 60 -0.620 25.534 12.253 1.00 3.90 H new ATOM 0 HA ASN A 60 -0.841 28.316 11.252 1.00 3.86 H new ATOM 0 HB2 ASN A 60 -0.554 25.672 9.775 1.00 3.90 H new ATOM 0 HB3 ASN A 60 -1.058 27.153 8.986 1.00 3.90 H new ATOM 0 HD21 ASN A 60 2.158 28.649 8.902 1.00 4.29 H new ATOM 0 HD22 ASN A 60 0.418 28.895 8.729 1.00 4.29 H new ATOM 886 N GLY A 61 -3.039 25.917 11.522 1.00 3.52 N ATOM 887 CA GLY A 61 -4.461 25.600 11.576 1.00 3.44 C ATOM 888 C GLY A 61 -4.972 24.841 10.358 1.00 3.11 C ATOM 889 O GLY A 61 -6.157 24.498 10.304 1.00 3.10 O ATOM 0 H GLY A 61 -2.431 25.155 11.821 1.00 3.52 H new ATOM 0 HA2 GLY A 61 -4.657 25.007 12.470 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -5.026 26.527 11.678 1.00 3.44 H new ATOM 893 N THR A 62 -4.088 24.574 9.382 1.00 2.91 N ATOM 894 CA THR A 62 -4.459 23.832 8.172 1.00 2.61 C ATOM 895 C THR A 62 -3.299 22.976 7.642 1.00 2.41 C ATOM 896 O THR A 62 -2.219 22.933 8.237 1.00 2.55 O ATOM 897 CB THR A 62 -4.999 24.756 7.053 1.00 2.62 C ATOM 898 OG1 THR A 62 -4.213 25.950 6.966 1.00 2.84 O ATOM 899 CG2 THR A 62 -6.455 25.109 7.319 1.00 2.75 C ATOM 0 H THR A 62 -3.110 24.863 9.411 1.00 2.91 H new ATOM 0 HA THR A 62 -5.267 23.164 8.470 1.00 2.61 H new ATOM 0 HB THR A 62 -4.932 24.224 6.104 1.00 2.62 H new ATOM 0 HG1 THR A 62 -3.949 26.101 6.034 1.00 2.84 H new ATOM 0 HG21 THR A 62 -6.823 25.759 6.525 1.00 2.75 H new ATOM 0 HG22 THR A 62 -7.051 24.197 7.347 1.00 2.75 H new ATOM 0 HG23 THR A 62 -6.535 25.624 8.276 1.00 2.75 H new ATOM 907 N ILE A 63 -3.544 22.334 6.496 1.00 2.14 N ATOM 908 CA ILE A 63 -2.619 21.411 5.850 1.00 1.93 C ATOM 909 C ILE A 63 -1.946 22.011 4.647 1.00 1.95 C ATOM 910 O ILE A 63 -2.598 22.622 3.824 1.00 1.99 O ATOM 911 CB ILE A 63 -3.326 20.205 5.216 1.00 1.63 C ATOM 912 CG1 ILE A 63 -4.862 20.240 5.376 1.00 1.70 C ATOM 913 CG2 ILE A 63 -2.763 18.839 5.632 1.00 1.51 C ATOM 914 CD1 ILE A 63 -5.377 19.918 6.772 1.00 1.95 C ATOM 0 H ILE A 63 -4.417 22.448 5.981 1.00 2.14 H new ATOM 0 HA ILE A 63 -1.938 21.151 6.660 1.00 1.93 H new ATOM 0 HB ILE A 63 -3.101 20.315 4.155 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -5.218 21.231 5.095 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -5.301 19.532 4.672 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -3.324 18.048 5.135 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -1.714 18.775 5.345 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -2.851 18.723 6.712 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -6.466 19.969 6.779 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -5.059 18.914 7.055 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -4.975 20.640 7.483 1.00 1.95 H new ATOM 926 N ASP A 64 -0.677 21.720 4.496 1.00 2.01 N ATOM 927 CA ASP A 64 0.087 22.168 3.352 1.00 2.12 C ATOM 928 C ASP A 64 0.168 21.026 2.321 1.00 1.86 C ATOM 929 O ASP A 64 -0.135 19.880 2.654 1.00 1.62 O ATOM 930 CB ASP A 64 1.477 22.692 3.743 1.00 2.46 C ATOM 931 CG ASP A 64 2.333 21.686 4.504 1.00 2.46 C ATOM 932 OD1 ASP A 64 3.081 20.929 3.851 1.00 2.68 O ATOM 933 OD2 ASP A 64 2.252 21.660 5.750 1.00 2.74 O ATOM 0 H ASP A 64 -0.141 21.165 5.163 1.00 2.01 H new ATOM 0 HA ASP A 64 -0.427 23.017 2.902 1.00 2.12 H new ATOM 0 HB2 ASP A 64 2.007 22.993 2.839 1.00 2.46 H new ATOM 0 HB3 ASP A 64 1.357 23.586 4.355 1.00 2.46 H new ATOM 938 N PHE A 65 0.577 21.334 1.085 1.00 1.97 N ATOM 939 CA PHE A 65 0.613 20.331 0.005 1.00 1.80 C ATOM 940 C PHE A 65 1.869 19.405 -0.016 1.00 1.83 C ATOM 941 O PHE A 65 1.709 18.211 -0.282 1.00 1.60 O ATOM 942 CB PHE A 65 0.482 21.035 -1.360 1.00 2.04 C ATOM 943 CG PHE A 65 0.176 20.109 -2.522 1.00 1.95 C ATOM 944 CD1 PHE A 65 1.134 19.819 -3.483 1.00 2.40 C ATOM 945 CD2 PHE A 65 -1.074 19.539 -2.645 1.00 2.11 C ATOM 946 CE1 PHE A 65 0.836 18.978 -4.543 1.00 2.45 C ATOM 947 CE2 PHE A 65 -1.387 18.701 -3.690 1.00 2.08 C ATOM 948 CZ PHE A 65 -0.428 18.420 -4.647 1.00 1.96 C ATOM 0 H PHE A 65 0.887 22.264 0.805 1.00 1.97 H new ATOM 0 HA PHE A 65 -0.231 19.671 0.207 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -0.306 21.785 -1.293 1.00 2.04 H new ATOM 0 HB3 PHE A 65 1.410 21.566 -1.571 1.00 2.04 H new ATOM 0 HD1 PHE A 65 2.120 20.252 -3.404 1.00 2.40 H new ATOM 0 HD2 PHE A 65 -1.827 19.756 -1.902 1.00 2.11 H new ATOM 0 HE1 PHE A 65 1.587 18.758 -5.287 1.00 2.45 H new ATOM 0 HE2 PHE A 65 -2.373 18.266 -3.763 1.00 2.08 H new ATOM 0 HZ PHE A 65 -0.664 17.767 -5.474 1.00 1.96 H new ATOM 958 N PRO A 66 3.124 19.907 0.251 1.00 2.16 N ATOM 959 CA PRO A 66 4.365 19.081 0.155 1.00 2.30 C ATOM 960 C PRO A 66 4.373 17.720 0.891 1.00 2.09 C ATOM 961 O PRO A 66 4.570 16.686 0.247 1.00 2.04 O ATOM 962 CB PRO A 66 5.446 20.006 0.730 1.00 2.67 C ATOM 963 CG PRO A 66 4.942 21.378 0.473 1.00 2.78 C ATOM 964 CD PRO A 66 3.456 21.298 0.662 1.00 2.48 C ATOM 0 HA PRO A 66 4.502 18.768 -0.880 1.00 2.30 H new ATOM 0 HB2 PRO A 66 5.592 19.831 1.796 1.00 2.67 H new ATOM 0 HB3 PRO A 66 6.408 19.840 0.245 1.00 2.67 H new ATOM 0 HG2 PRO A 66 5.388 22.096 1.162 1.00 2.78 H new ATOM 0 HG3 PRO A 66 5.193 21.706 -0.536 1.00 2.78 H new ATOM 0 HD2 PRO A 66 3.173 21.488 1.697 1.00 2.48 H new ATOM 0 HD3 PRO A 66 2.934 22.032 0.049 1.00 2.48 H new ATOM 972 N GLU A 67 4.167 17.714 2.217 1.00 2.04 N ATOM 973 CA GLU A 67 4.217 16.472 3.000 1.00 1.95 C ATOM 974 C GLU A 67 2.899 15.739 3.131 1.00 1.60 C ATOM 975 O GLU A 67 2.859 14.581 3.550 1.00 1.59 O ATOM 976 CB GLU A 67 4.875 16.696 4.364 1.00 2.24 C ATOM 977 CG GLU A 67 6.387 16.850 4.295 1.00 2.61 C ATOM 978 CD GLU A 67 7.013 17.072 5.658 1.00 3.15 C ATOM 979 OE1 GLU A 67 7.134 18.245 6.072 1.00 3.47 O ATOM 980 OE2 GLU A 67 7.382 16.074 6.312 1.00 3.66 O ATOM 0 H GLU A 67 3.966 18.550 2.766 1.00 2.04 H new ATOM 0 HA GLU A 67 4.844 15.801 2.413 1.00 1.95 H new ATOM 0 HB2 GLU A 67 4.448 17.589 4.821 1.00 2.24 H new ATOM 0 HB3 GLU A 67 4.633 15.857 5.016 1.00 2.24 H new ATOM 0 HG2 GLU A 67 6.819 15.958 3.842 1.00 2.61 H new ATOM 0 HG3 GLU A 67 6.634 17.689 3.645 1.00 2.61 H new ATOM 987 N PHE A 68 1.843 16.415 2.775 1.00 1.40 N ATOM 988 CA PHE A 68 0.479 15.854 2.834 1.00 1.10 C ATOM 989 C PHE A 68 0.356 14.655 1.870 1.00 0.99 C ATOM 990 O PHE A 68 -0.400 13.717 2.138 1.00 0.94 O ATOM 991 CB PHE A 68 -0.544 16.979 2.559 1.00 1.04 C ATOM 992 CG PHE A 68 -1.934 16.583 2.106 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.310 16.793 0.786 1.00 1.36 C ATOM 994 CD2 PHE A 68 -2.879 16.066 2.992 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.590 16.507 0.357 1.00 1.57 C ATOM 996 CE2 PHE A 68 -4.149 15.772 2.559 1.00 1.57 C ATOM 997 CZ PHE A 68 -4.514 15.998 1.239 1.00 1.15 C ATOM 0 H PHE A 68 1.880 17.375 2.432 1.00 1.40 H new ATOM 0 HA PHE A 68 0.264 15.463 3.828 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -0.645 17.568 3.471 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.121 17.637 1.800 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -1.590 17.186 0.084 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -2.611 15.896 4.024 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -3.866 16.683 -0.672 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -4.869 15.362 3.251 1.00 1.57 H new ATOM 0 HZ PHE A 68 -5.517 15.775 0.907 1.00 1.15 H new ATOM 1007 N LEU A 69 1.096 14.709 0.745 1.00 1.15 N ATOM 1008 CA LEU A 69 1.116 13.606 -0.235 1.00 1.24 C ATOM 1009 C LEU A 69 2.104 12.511 0.161 1.00 1.42 C ATOM 1010 O LEU A 69 1.901 11.341 -0.173 1.00 1.53 O ATOM 1011 CB LEU A 69 1.419 14.059 -1.669 1.00 1.51 C ATOM 1012 CG LEU A 69 1.496 15.557 -1.915 1.00 1.59 C ATOM 1013 CD1 LEU A 69 2.918 15.961 -2.238 1.00 1.82 C ATOM 1014 CD2 LEU A 69 0.562 15.932 -3.037 1.00 1.76 C ATOM 0 H LEU A 69 1.686 15.502 0.493 1.00 1.15 H new ATOM 0 HA LEU A 69 0.101 13.208 -0.221 1.00 1.24 H new ATOM 0 HB2 LEU A 69 2.368 13.616 -1.971 1.00 1.51 H new ATOM 0 HB3 LEU A 69 0.652 13.647 -2.324 1.00 1.51 H new ATOM 0 HG LEU A 69 1.191 16.089 -1.014 1.00 1.59 H new ATOM 0 HD11 LEU A 69 2.960 17.036 -2.412 1.00 1.82 H new ATOM 0 HD12 LEU A 69 3.568 15.703 -1.402 1.00 1.82 H new ATOM 0 HD13 LEU A 69 3.251 15.435 -3.133 1.00 1.82 H new ATOM 0 HD21 LEU A 69 0.618 17.006 -3.213 1.00 1.76 H new ATOM 0 HD22 LEU A 69 0.851 15.400 -3.944 1.00 1.76 H new ATOM 0 HD23 LEU A 69 -0.459 15.661 -2.767 1.00 1.76 H new ATOM 1026 N THR A 70 3.186 12.896 0.860 1.00 1.58 N ATOM 1027 CA THR A 70 4.209 11.926 1.303 1.00 1.88 C ATOM 1028 C THR A 70 3.621 10.964 2.337 1.00 1.87 C ATOM 1029 O THR A 70 3.999 9.791 2.401 1.00 2.04 O ATOM 1030 CB THR A 70 5.467 12.608 1.892 1.00 2.19 C ATOM 1031 OG1 THR A 70 5.100 13.545 2.907 1.00 2.14 O ATOM 1032 CG2 THR A 70 6.269 13.315 0.806 1.00 2.80 C ATOM 0 H THR A 70 3.376 13.861 1.129 1.00 1.58 H new ATOM 0 HA THR A 70 4.519 11.376 0.414 1.00 1.88 H new ATOM 0 HB THR A 70 6.090 11.829 2.331 1.00 2.19 H new ATOM 0 HG1 THR A 70 4.130 13.517 3.043 1.00 2.14 H new ATOM 0 HG21 THR A 70 7.147 13.785 1.250 1.00 2.80 H new ATOM 0 HG22 THR A 70 6.585 12.589 0.057 1.00 2.80 H new ATOM 0 HG23 THR A 70 5.649 14.077 0.334 1.00 2.80 H new ATOM 1040 N MET A 71 2.690 11.495 3.138 1.00 1.77 N ATOM 1041 CA MET A 71 1.974 10.723 4.158 1.00 1.91 C ATOM 1042 C MET A 71 0.805 9.948 3.530 1.00 1.83 C ATOM 1043 O MET A 71 0.343 8.949 4.086 1.00 2.06 O ATOM 1044 CB MET A 71 1.469 11.641 5.287 1.00 2.01 C ATOM 1045 CG MET A 71 0.757 12.906 4.811 1.00 2.31 C ATOM 1046 SD MET A 71 0.268 13.982 6.164 1.00 2.07 S ATOM 1047 CE MET A 71 -1.295 13.251 6.615 1.00 1.57 C ATOM 0 H MET A 71 2.412 12.475 3.096 1.00 1.77 H new ATOM 0 HA MET A 71 2.671 10.005 4.589 1.00 1.91 H new ATOM 0 HB2 MET A 71 0.787 11.074 5.921 1.00 2.01 H new ATOM 0 HB3 MET A 71 2.317 11.930 5.909 1.00 2.01 H new ATOM 0 HG2 MET A 71 1.414 13.455 4.136 1.00 2.31 H new ATOM 0 HG3 MET A 71 -0.127 12.626 4.238 1.00 2.31 H new ATOM 0 HE1 MET A 71 -1.923 14.002 7.095 1.00 1.57 H new ATOM 0 HE2 MET A 71 -1.794 12.879 5.720 1.00 1.57 H new ATOM 0 HE3 MET A 71 -1.125 12.425 7.305 1.00 1.57 H new ATOM 1057 N MET A 72 0.344 10.437 2.360 1.00 1.61 N ATOM 1058 CA MET A 72 -0.765 9.831 1.603 1.00 1.69 C ATOM 1059 C MET A 72 -0.528 8.342 1.330 1.00 1.97 C ATOM 1060 O MET A 72 -1.460 7.538 1.412 1.00 2.17 O ATOM 1061 CB MET A 72 -0.960 10.582 0.282 1.00 1.60 C ATOM 1062 CG MET A 72 -1.933 11.748 0.382 1.00 1.46 C ATOM 1063 SD MET A 72 -3.632 11.261 0.046 1.00 1.69 S ATOM 1064 CE MET A 72 -4.402 12.866 -0.138 1.00 1.53 C ATOM 0 H MET A 72 0.734 11.267 1.914 1.00 1.61 H new ATOM 0 HA MET A 72 -1.666 9.912 2.211 1.00 1.69 H new ATOM 0 HB2 MET A 72 0.006 10.954 -0.061 1.00 1.60 H new ATOM 0 HB3 MET A 72 -1.319 9.884 -0.474 1.00 1.60 H new ATOM 0 HG2 MET A 72 -1.874 12.181 1.380 1.00 1.46 H new ATOM 0 HG3 MET A 72 -1.636 12.526 -0.321 1.00 1.46 H new ATOM 0 HE1 MET A 72 -5.229 12.794 -0.844 1.00 1.53 H new ATOM 0 HE2 MET A 72 -4.778 13.202 0.828 1.00 1.53 H new ATOM 0 HE3 MET A 72 -3.668 13.581 -0.510 1.00 1.53 H new ATOM 1074 N ALA A 73 0.731 7.985 1.022 1.00 2.06 N ATOM 1075 CA ALA A 73 1.111 6.600 0.757 1.00 2.36 C ATOM 1076 C ALA A 73 1.128 5.770 2.035 1.00 2.55 C ATOM 1077 O ALA A 73 0.930 4.554 1.986 1.00 2.80 O ATOM 1078 CB ALA A 73 2.456 6.535 0.050 1.00 2.47 C ATOM 0 H ALA A 73 1.503 8.648 0.952 1.00 2.06 H new ATOM 0 HA ALA A 73 0.356 6.171 0.098 1.00 2.36 H new ATOM 0 HB1 ALA A 73 2.719 5.494 -0.137 1.00 2.47 H new ATOM 0 HB2 ALA A 73 2.395 7.070 -0.898 1.00 2.47 H new ATOM 0 HB3 ALA A 73 3.220 6.995 0.678 1.00 2.47 H new ATOM 1084 N ARG A 74 1.373 6.433 3.182 1.00 2.49 N ATOM 1085 CA ARG A 74 1.349 5.760 4.481 1.00 2.74 C ATOM 1086 C ARG A 74 -0.059 5.254 4.762 1.00 2.80 C ATOM 1087 O ARG A 74 -0.250 4.229 5.423 1.00 3.08 O ATOM 1088 CB ARG A 74 1.816 6.700 5.594 1.00 2.75 C ATOM 1089 CG ARG A 74 3.325 6.675 5.816 1.00 2.90 C ATOM 1090 CD ARG A 74 4.028 7.823 5.108 1.00 2.93 C ATOM 1091 NE ARG A 74 3.948 9.071 5.874 1.00 3.02 N ATOM 1092 CZ ARG A 74 4.848 10.064 5.812 1.00 3.34 C ATOM 1093 NH1 ARG A 74 5.915 9.979 5.020 1.00 3.84 N ATOM 1094 NH2 ARG A 74 4.675 11.151 6.552 1.00 3.53 N ATOM 0 H ARG A 74 1.588 7.429 3.228 1.00 2.49 H new ATOM 0 HA ARG A 74 2.036 4.915 4.453 1.00 2.74 H new ATOM 0 HB2 ARG A 74 1.509 7.718 5.353 1.00 2.75 H new ATOM 0 HB3 ARG A 74 1.315 6.428 6.523 1.00 2.75 H new ATOM 0 HG2 ARG A 74 3.534 6.726 6.884 1.00 2.90 H new ATOM 0 HG3 ARG A 74 3.728 5.728 5.457 1.00 2.90 H new ATOM 0 HD2 ARG A 74 5.074 7.563 4.946 1.00 2.93 H new ATOM 0 HD3 ARG A 74 3.581 7.971 4.125 1.00 2.93 H new ATOM 0 HE ARG A 74 3.151 9.193 6.499 1.00 3.02 H new ATOM 0 HH11 ARG A 74 6.059 9.148 4.446 1.00 3.84 H new ATOM 0 HH12 ARG A 74 6.588 10.745 4.987 1.00 3.84 H new ATOM 0 HH21 ARG A 74 3.862 11.228 7.163 1.00 3.53 H new ATOM 0 HH22 ARG A 74 5.355 11.910 6.510 1.00 3.53 H new ATOM 1108 N LYS A 75 -1.037 6.007 4.244 1.00 2.57 N ATOM 1109 CA LYS A 75 -2.447 5.654 4.345 1.00 2.67 C ATOM 1110 C LYS A 75 -2.779 4.503 3.419 1.00 2.87 C ATOM 1111 O LYS A 75 -3.669 3.701 3.716 1.00 3.11 O ATOM 1112 CB LYS A 75 -3.385 6.845 4.037 1.00 2.45 C ATOM 1113 CG LYS A 75 -2.909 8.220 4.514 1.00 2.47 C ATOM 1114 CD LYS A 75 -2.841 8.301 6.028 1.00 2.50 C ATOM 1115 CE LYS A 75 -1.407 8.333 6.500 1.00 2.43 C ATOM 1116 NZ LYS A 75 -1.301 8.185 7.977 1.00 3.05 N ATOM 0 H LYS A 75 -0.866 6.879 3.743 1.00 2.57 H new ATOM 0 HA LYS A 75 -2.614 5.358 5.380 1.00 2.67 H new ATOM 0 HB2 LYS A 75 -3.539 6.890 2.959 1.00 2.45 H new ATOM 0 HB3 LYS A 75 -4.356 6.643 4.489 1.00 2.45 H new ATOM 0 HG2 LYS A 75 -1.925 8.429 4.095 1.00 2.47 H new ATOM 0 HG3 LYS A 75 -3.585 8.988 4.139 1.00 2.47 H new ATOM 0 HD2 LYS A 75 -3.362 9.194 6.373 1.00 2.50 H new ATOM 0 HD3 LYS A 75 -3.354 7.444 6.466 1.00 2.50 H new ATOM 0 HE2 LYS A 75 -0.848 7.533 6.015 1.00 2.43 H new ATOM 0 HE3 LYS A 75 -0.947 9.273 6.196 1.00 2.43 H new ATOM 0 HZ1 LYS A 75 -0.733 8.965 8.364 1.00 3.05 H new ATOM 0 HZ2 LYS A 75 -2.252 8.207 8.397 1.00 3.05 H new ATOM 0 HZ3 LYS A 75 -0.844 7.279 8.203 1.00 3.05 H new ATOM 1130 N MET A 76 -2.071 4.431 2.288 1.00 2.81 N ATOM 1131 CA MET A 76 -2.258 3.327 1.370 1.00 3.04 C ATOM 1132 C MET A 76 -1.316 2.210 1.732 1.00 3.27 C ATOM 1133 O MET A 76 -1.198 1.189 1.052 1.00 3.48 O ATOM 1134 CB MET A 76 -2.155 3.744 -0.101 1.00 2.98 C ATOM 1135 CG MET A 76 -3.465 4.250 -0.687 1.00 3.01 C ATOM 1136 SD MET A 76 -3.925 5.887 -0.081 1.00 2.99 S ATOM 1137 CE MET A 76 -2.948 6.938 -1.154 1.00 2.50 C ATOM 0 H MET A 76 -1.375 5.118 1.998 1.00 2.81 H new ATOM 0 HA MET A 76 -3.280 2.963 1.476 1.00 3.04 H new ATOM 0 HB2 MET A 76 -1.399 4.524 -0.196 1.00 2.98 H new ATOM 0 HB3 MET A 76 -1.810 2.893 -0.687 1.00 2.98 H new ATOM 0 HG2 MET A 76 -3.382 4.281 -1.773 1.00 3.01 H new ATOM 0 HG3 MET A 76 -4.260 3.544 -0.448 1.00 3.01 H new ATOM 0 HE1 MET A 76 -3.479 7.874 -1.329 1.00 2.50 H new ATOM 0 HE2 MET A 76 -1.988 7.149 -0.682 1.00 2.50 H new ATOM 0 HE3 MET A 76 -2.781 6.432 -2.105 1.00 2.50 H new ATOM 1147 N LYS A 77 -0.662 2.474 2.835 1.00 3.25 N ATOM 1148 CA LYS A 77 0.219 1.555 3.494 1.00 3.50 C ATOM 1149 C LYS A 77 -0.567 1.057 4.693 1.00 3.65 C ATOM 1150 O LYS A 77 -0.157 0.121 5.386 1.00 3.90 O ATOM 1151 CB LYS A 77 1.520 2.235 3.921 1.00 3.48 C ATOM 1152 CG LYS A 77 2.697 1.282 4.069 1.00 3.51 C ATOM 1153 CD LYS A 77 3.953 2.015 4.512 1.00 3.56 C ATOM 1154 CE LYS A 77 5.122 1.060 4.671 1.00 3.75 C ATOM 1155 NZ LYS A 77 6.362 1.764 5.101 1.00 4.00 N ATOM 0 H LYS A 77 -0.735 3.372 3.314 1.00 3.25 H new ATOM 0 HA LYS A 77 0.522 0.739 2.838 1.00 3.50 H new ATOM 0 HB2 LYS A 77 1.775 3.000 3.188 1.00 3.48 H new ATOM 0 HB3 LYS A 77 1.357 2.745 4.871 1.00 3.48 H new ATOM 0 HG2 LYS A 77 2.451 0.508 4.795 1.00 3.51 H new ATOM 0 HG3 LYS A 77 2.883 0.781 3.119 1.00 3.51 H new ATOM 0 HD2 LYS A 77 4.205 2.783 3.781 1.00 3.56 H new ATOM 0 HD3 LYS A 77 3.765 2.524 5.457 1.00 3.56 H new ATOM 0 HE2 LYS A 77 4.867 0.294 5.403 1.00 3.75 H new ATOM 0 HE3 LYS A 77 5.304 0.549 3.726 1.00 3.75 H new ATOM 0 HZ1 LYS A 77 7.136 1.076 5.198 1.00 4.00 H new ATOM 0 HZ2 LYS A 77 6.620 2.478 4.390 1.00 4.00 H new ATOM 0 HZ3 LYS A 77 6.197 2.230 6.016 1.00 4.00 H new ATOM 1169 N ASP A 78 -1.730 1.724 4.921 1.00 3.51 N ATOM 1170 CA ASP A 78 -2.641 1.337 5.992 1.00 3.68 C ATOM 1171 C ASP A 78 -3.576 0.242 5.483 1.00 3.85 C ATOM 1172 O ASP A 78 -4.043 -0.597 6.260 1.00 4.10 O ATOM 1173 CB ASP A 78 -3.448 2.536 6.496 1.00 3.50 C ATOM 1174 CG ASP A 78 -2.670 3.382 7.486 1.00 3.68 C ATOM 1175 OD1 ASP A 78 -2.257 4.501 7.117 1.00 4.02 O ATOM 1176 OD2 ASP A 78 -2.476 2.925 8.632 1.00 3.89 O ATOM 0 H ASP A 78 -2.043 2.525 4.372 1.00 3.51 H new ATOM 0 HA ASP A 78 -2.056 0.960 6.831 1.00 3.68 H new ATOM 0 HB2 ASP A 78 -3.744 3.154 5.648 1.00 3.50 H new ATOM 0 HB3 ASP A 78 -4.365 2.181 6.967 1.00 3.50 H new ATOM 1181 N THR A 79 -3.841 0.264 4.163 1.00 3.74 N ATOM 1182 CA THR A 79 -4.687 -0.731 3.529 1.00 3.93 C ATOM 1183 C THR A 79 -3.930 -1.526 2.454 1.00 3.95 C ATOM 1184 O THR A 79 -4.523 -2.003 1.478 1.00 4.03 O ATOM 1185 CB THR A 79 -5.965 -0.093 2.928 1.00 3.88 C ATOM 1186 OG1 THR A 79 -5.613 0.883 1.938 1.00 3.58 O ATOM 1187 CG2 THR A 79 -6.807 0.568 4.011 1.00 3.95 C ATOM 0 H THR A 79 -3.473 0.969 3.524 1.00 3.74 H new ATOM 0 HA THR A 79 -4.988 -1.428 4.311 1.00 3.93 H new ATOM 0 HB THR A 79 -6.550 -0.888 2.466 1.00 3.88 H new ATOM 0 HG1 THR A 79 -6.428 1.278 1.564 1.00 3.58 H new ATOM 0 HG21 THR A 79 -7.698 1.008 3.562 1.00 3.95 H new ATOM 0 HG22 THR A 79 -7.103 -0.178 4.748 1.00 3.95 H new ATOM 0 HG23 THR A 79 -6.224 1.349 4.499 1.00 3.95 H new ATOM 1195 N ASP A 80 -2.620 -1.681 2.662 1.00 3.93 N ATOM 1196 CA ASP A 80 -1.766 -2.424 1.728 1.00 3.99 C ATOM 1197 C ASP A 80 -1.416 -3.811 2.278 1.00 3.80 C ATOM 1198 O ASP A 80 -0.779 -3.934 3.330 1.00 4.18 O ATOM 1199 CB ASP A 80 -0.485 -1.634 1.429 1.00 4.25 C ATOM 1200 CG ASP A 80 0.168 -2.038 0.116 1.00 4.80 C ATOM 1201 OD1 ASP A 80 1.025 -2.946 0.133 1.00 5.12 O ATOM 1202 OD2 ASP A 80 -0.180 -1.445 -0.927 1.00 5.24 O ATOM 0 H ASP A 80 -2.126 -1.302 3.470 1.00 3.93 H new ATOM 0 HA ASP A 80 -2.323 -2.558 0.801 1.00 3.99 H new ATOM 0 HB2 ASP A 80 -0.719 -0.570 1.400 1.00 4.25 H new ATOM 0 HB3 ASP A 80 0.225 -1.782 2.243 1.00 4.25 H new ATOM 1207 N SER A 81 -1.855 -4.847 1.552 1.00 3.49 N ATOM 1208 CA SER A 81 -1.595 -6.238 1.914 1.00 3.36 C ATOM 1209 C SER A 81 -0.226 -6.714 1.413 1.00 2.88 C ATOM 1210 O SER A 81 0.322 -7.700 1.913 1.00 2.79 O ATOM 1211 CB SER A 81 -2.697 -7.146 1.364 1.00 3.71 C ATOM 1212 OG SER A 81 -3.964 -6.784 1.885 1.00 4.35 O ATOM 0 H SER A 81 -2.401 -4.740 0.697 1.00 3.49 H new ATOM 0 HA SER A 81 -1.589 -6.295 3.003 1.00 3.36 H new ATOM 0 HB2 SER A 81 -2.716 -7.082 0.276 1.00 3.71 H new ATOM 0 HB3 SER A 81 -2.479 -8.183 1.618 1.00 3.71 H new ATOM 0 HG SER A 81 -4.651 -7.378 1.517 1.00 4.35 H new ATOM 1218 N GLU A 82 0.307 -5.992 0.420 1.00 2.97 N ATOM 1219 CA GLU A 82 1.610 -6.303 -0.201 1.00 3.25 C ATOM 1220 C GLU A 82 2.784 -5.880 0.674 1.00 3.85 C ATOM 1221 O GLU A 82 3.893 -6.393 0.539 1.00 4.27 O ATOM 1222 CB GLU A 82 1.722 -5.600 -1.550 1.00 3.94 C ATOM 1223 CG GLU A 82 0.802 -6.159 -2.627 1.00 4.12 C ATOM 1224 CD GLU A 82 0.864 -5.364 -3.917 1.00 4.93 C ATOM 1225 OE1 GLU A 82 -0.009 -4.494 -4.121 1.00 5.51 O ATOM 1226 OE2 GLU A 82 1.786 -5.610 -4.722 1.00 5.25 O ATOM 0 H GLU A 82 -0.151 -5.173 0.020 1.00 2.97 H new ATOM 0 HA GLU A 82 1.654 -7.385 -0.327 1.00 3.25 H new ATOM 0 HB2 GLU A 82 1.501 -4.541 -1.414 1.00 3.94 H new ATOM 0 HB3 GLU A 82 2.753 -5.669 -1.898 1.00 3.94 H new ATOM 0 HG2 GLU A 82 1.073 -7.195 -2.830 1.00 4.12 H new ATOM 0 HG3 GLU A 82 -0.223 -6.165 -2.257 1.00 4.12 H new ATOM 1233 N GLU A 83 2.532 -4.910 1.534 1.00 4.18 N ATOM 1234 CA GLU A 83 3.543 -4.413 2.474 1.00 5.12 C ATOM 1235 C GLU A 83 3.711 -5.390 3.651 1.00 5.33 C ATOM 1236 O GLU A 83 4.751 -5.403 4.317 1.00 6.21 O ATOM 1237 CB GLU A 83 3.147 -3.020 2.990 1.00 5.53 C ATOM 1238 CG GLU A 83 4.328 -2.127 3.365 1.00 5.74 C ATOM 1239 CD GLU A 83 4.990 -1.482 2.159 1.00 6.48 C ATOM 1240 OE1 GLU A 83 5.925 -2.091 1.599 1.00 6.88 O ATOM 1241 OE2 GLU A 83 4.572 -0.368 1.777 1.00 6.89 O ATOM 0 H GLU A 83 1.629 -4.441 1.607 1.00 4.18 H new ATOM 0 HA GLU A 83 4.496 -4.336 1.951 1.00 5.12 H new ATOM 0 HB2 GLU A 83 2.555 -2.517 2.225 1.00 5.53 H new ATOM 0 HB3 GLU A 83 2.505 -3.138 3.863 1.00 5.53 H new ATOM 0 HG2 GLU A 83 3.985 -1.347 4.045 1.00 5.74 H new ATOM 0 HG3 GLU A 83 5.067 -2.719 3.905 1.00 5.74 H new ATOM 1248 N GLU A 84 2.668 -6.201 3.884 1.00 4.72 N ATOM 1249 CA GLU A 84 2.645 -7.188 4.970 1.00 5.16 C ATOM 1250 C GLU A 84 3.312 -8.524 4.593 1.00 4.87 C ATOM 1251 O GLU A 84 3.914 -9.169 5.455 1.00 5.53 O ATOM 1252 CB GLU A 84 1.204 -7.439 5.419 1.00 5.11 C ATOM 1253 CG GLU A 84 0.573 -6.269 6.161 1.00 5.77 C ATOM 1254 CD GLU A 84 -0.849 -6.557 6.601 1.00 6.38 C ATOM 1255 OE1 GLU A 84 -1.030 -7.077 7.723 1.00 6.86 O ATOM 1256 OE2 GLU A 84 -1.782 -6.263 5.825 1.00 6.68 O ATOM 0 H GLU A 84 1.816 -6.190 3.323 1.00 4.72 H new ATOM 0 HA GLU A 84 3.228 -6.763 5.787 1.00 5.16 H new ATOM 0 HB2 GLU A 84 0.597 -7.671 4.544 1.00 5.11 H new ATOM 0 HB3 GLU A 84 1.183 -8.318 6.063 1.00 5.11 H new ATOM 0 HG2 GLU A 84 1.178 -6.029 7.035 1.00 5.77 H new ATOM 0 HG3 GLU A 84 0.579 -5.389 5.517 1.00 5.77 H new ATOM 1263 N ILE A 85 3.195 -8.944 3.313 1.00 3.98 N ATOM 1264 CA ILE A 85 3.779 -10.225 2.834 1.00 3.69 C ATOM 1265 C ILE A 85 5.260 -10.354 3.097 1.00 4.63 C ATOM 1266 O ILE A 85 5.710 -11.378 3.611 1.00 5.03 O ATOM 1267 CB ILE A 85 3.461 -10.536 1.350 1.00 2.77 C ATOM 1268 CG1 ILE A 85 3.533 -9.296 0.439 1.00 3.16 C ATOM 1269 CG2 ILE A 85 2.084 -11.172 1.267 1.00 1.99 C ATOM 1270 CD1 ILE A 85 4.887 -9.084 -0.210 1.00 3.97 C ATOM 0 H ILE A 85 2.703 -8.418 2.591 1.00 3.98 H new ATOM 0 HA ILE A 85 3.277 -10.979 3.439 1.00 3.69 H new ATOM 0 HB ILE A 85 4.226 -11.222 0.986 1.00 2.77 H new ATOM 0 HG12 ILE A 85 2.778 -9.387 -0.342 1.00 3.16 H new ATOM 0 HG13 ILE A 85 3.280 -8.412 1.025 1.00 3.16 H new ATOM 0 HG21 ILE A 85 1.849 -11.396 0.226 1.00 1.99 H new ATOM 0 HG22 ILE A 85 2.074 -12.094 1.848 1.00 1.99 H new ATOM 0 HG23 ILE A 85 1.340 -10.483 1.667 1.00 1.99 H new ATOM 0 HD11 ILE A 85 4.855 -8.192 -0.835 1.00 3.97 H new ATOM 0 HD12 ILE A 85 5.645 -8.959 0.563 1.00 3.97 H new ATOM 0 HD13 ILE A 85 5.135 -9.949 -0.825 1.00 3.97 H new ATOM 1282 N ARG A 86 6.002 -9.312 2.788 1.00 5.19 N ATOM 1283 CA ARG A 86 7.451 -9.288 3.045 1.00 6.32 C ATOM 1284 C ARG A 86 7.735 -9.543 4.513 1.00 7.11 C ATOM 1285 O ARG A 86 8.817 -10.011 4.882 1.00 7.98 O ATOM 1286 CB ARG A 86 8.040 -7.921 2.745 1.00 6.99 C ATOM 1287 CG ARG A 86 7.995 -7.519 1.277 1.00 7.36 C ATOM 1288 CD ARG A 86 8.653 -6.168 1.048 1.00 8.25 C ATOM 1289 NE ARG A 86 8.660 -5.792 -0.371 1.00 8.76 N ATOM 1290 CZ ARG A 86 9.181 -4.656 -0.857 1.00 9.65 C ATOM 1291 NH1 ARG A 86 9.748 -3.758 -0.053 1.00 10.08 N ATOM 1292 NH2 ARG A 86 9.133 -4.420 -2.161 1.00 10.26 N ATOM 0 H ARG A 86 5.637 -8.462 2.357 1.00 5.19 H new ATOM 0 HA ARG A 86 7.890 -10.055 2.407 1.00 6.32 H new ATOM 0 HB2 ARG A 86 7.504 -7.173 3.329 1.00 6.99 H new ATOM 0 HB3 ARG A 86 9.077 -7.905 3.081 1.00 6.99 H new ATOM 0 HG2 ARG A 86 8.498 -8.276 0.676 1.00 7.36 H new ATOM 0 HG3 ARG A 86 6.959 -7.482 0.941 1.00 7.36 H new ATOM 0 HD2 ARG A 86 8.126 -5.406 1.622 1.00 8.25 H new ATOM 0 HD3 ARG A 86 9.677 -6.196 1.421 1.00 8.25 H new ATOM 0 HE ARG A 86 8.238 -6.441 -1.035 1.00 8.76 H new ATOM 0 HH11 ARG A 86 9.791 -3.929 0.952 1.00 10.08 H new ATOM 0 HH12 ARG A 86 10.139 -2.900 -0.442 1.00 10.08 H new ATOM 0 HH21 ARG A 86 8.702 -5.100 -2.787 1.00 10.26 H new ATOM 0 HH22 ARG A 86 9.527 -3.558 -2.538 1.00 10.26 H new ATOM 1306 N GLU A 87 6.733 -9.224 5.338 1.00 6.95 N ATOM 1307 CA GLU A 87 6.872 -9.336 6.774 1.00 7.91 C ATOM 1308 C GLU A 87 6.549 -10.738 7.302 1.00 7.97 C ATOM 1309 O GLU A 87 7.184 -11.224 8.242 1.00 8.94 O ATOM 1310 CB GLU A 87 6.008 -8.293 7.490 1.00 8.02 C ATOM 1311 CG GLU A 87 6.550 -6.874 7.395 1.00 8.75 C ATOM 1312 CD GLU A 87 5.679 -5.867 8.121 1.00 9.11 C ATOM 1313 OE1 GLU A 87 4.758 -5.312 7.486 1.00 9.62 O ATOM 1314 OE2 GLU A 87 5.917 -5.635 9.325 1.00 9.05 O ATOM 0 H GLU A 87 5.822 -8.888 5.026 1.00 6.95 H new ATOM 0 HA GLU A 87 7.923 -9.147 6.992 1.00 7.91 H new ATOM 0 HB2 GLU A 87 5.003 -8.317 7.069 1.00 8.02 H new ATOM 0 HB3 GLU A 87 5.920 -8.568 8.541 1.00 8.02 H new ATOM 0 HG2 GLU A 87 7.557 -6.845 7.812 1.00 8.75 H new ATOM 0 HG3 GLU A 87 6.631 -6.589 6.346 1.00 8.75 H new ATOM 1321 N ALA A 88 5.552 -11.365 6.673 1.00 7.00 N ATOM 1322 CA ALA A 88 5.058 -12.697 7.061 1.00 7.06 C ATOM 1323 C ALA A 88 5.974 -13.836 6.627 1.00 7.01 C ATOM 1324 O ALA A 88 6.288 -14.708 7.419 1.00 7.73 O ATOM 1325 CB ALA A 88 3.682 -12.925 6.488 1.00 6.21 C ATOM 0 H ALA A 88 5.059 -10.964 5.875 1.00 7.00 H new ATOM 0 HA ALA A 88 5.030 -12.704 8.151 1.00 7.06 H new ATOM 0 HB1 ALA A 88 3.325 -13.913 6.780 1.00 6.21 H new ATOM 0 HB2 ALA A 88 2.999 -12.165 6.868 1.00 6.21 H new ATOM 0 HB3 ALA A 88 3.726 -12.862 5.401 1.00 6.21 H new ATOM 1331 N PHE A 89 6.333 -13.862 5.346 1.00 6.21 N ATOM 1332 CA PHE A 89 7.245 -14.872 4.777 1.00 6.21 C ATOM 1333 C PHE A 89 8.480 -15.188 5.640 1.00 7.49 C ATOM 1334 O PHE A 89 9.129 -16.212 5.435 1.00 7.70 O ATOM 1335 CB PHE A 89 7.640 -14.430 3.380 1.00 5.56 C ATOM 1336 CG PHE A 89 6.523 -14.643 2.421 1.00 4.24 C ATOM 1337 CD1 PHE A 89 6.535 -15.738 1.592 1.00 3.84 C ATOM 1338 CD2 PHE A 89 5.438 -13.772 2.376 1.00 3.79 C ATOM 1339 CE1 PHE A 89 5.503 -15.966 0.735 1.00 2.77 C ATOM 1340 CE2 PHE A 89 4.407 -13.990 1.518 1.00 2.72 C ATOM 1341 CZ PHE A 89 4.440 -15.098 0.690 1.00 1.93 C ATOM 0 H PHE A 89 6.001 -13.182 4.662 1.00 6.21 H new ATOM 0 HA PHE A 89 6.701 -15.816 4.745 1.00 6.21 H new ATOM 0 HB2 PHE A 89 7.918 -13.376 3.393 1.00 5.56 H new ATOM 0 HB3 PHE A 89 8.518 -14.987 3.052 1.00 5.56 H new ATOM 0 HD1 PHE A 89 7.370 -16.423 1.621 1.00 3.84 H new ATOM 0 HD2 PHE A 89 5.415 -12.913 3.030 1.00 3.79 H new ATOM 0 HE1 PHE A 89 5.520 -16.831 0.089 1.00 2.77 H new ATOM 0 HE2 PHE A 89 3.572 -13.306 1.483 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.626 -15.281 0.005 1.00 1.93 H new ATOM 1351 N ARG A 90 8.806 -14.302 6.590 1.00 8.36 N ATOM 1352 CA ARG A 90 9.922 -14.527 7.514 1.00 9.63 C ATOM 1353 C ARG A 90 9.523 -15.547 8.602 1.00 10.20 C ATOM 1354 O ARG A 90 10.378 -16.032 9.350 1.00 11.20 O ATOM 1355 CB ARG A 90 10.358 -13.209 8.165 1.00 10.38 C ATOM 1356 CG ARG A 90 11.110 -12.278 7.225 1.00 10.73 C ATOM 1357 CD ARG A 90 11.505 -10.986 7.921 1.00 11.51 C ATOM 1358 NE ARG A 90 12.231 -10.079 7.024 1.00 12.01 N ATOM 1359 CZ ARG A 90 12.640 -8.845 7.354 1.00 12.77 C ATOM 1360 NH1 ARG A 90 12.406 -8.342 8.565 1.00 13.10 N ATOM 1361 NH2 ARG A 90 13.290 -8.111 6.461 1.00 13.29 N ATOM 0 H ARG A 90 8.311 -13.422 6.738 1.00 8.36 H new ATOM 0 HA ARG A 90 10.760 -14.929 6.945 1.00 9.63 H new ATOM 0 HB2 ARG A 90 9.476 -12.693 8.544 1.00 10.38 H new ATOM 0 HB3 ARG A 90 10.991 -13.431 9.024 1.00 10.38 H new ATOM 0 HG2 ARG A 90 12.003 -12.779 6.852 1.00 10.73 H new ATOM 0 HG3 ARG A 90 10.487 -12.051 6.360 1.00 10.73 H new ATOM 0 HD2 ARG A 90 10.611 -10.487 8.295 1.00 11.51 H new ATOM 0 HD3 ARG A 90 12.127 -11.216 8.786 1.00 11.51 H new ATOM 0 HE ARG A 90 12.439 -10.411 6.082 1.00 12.01 H new ATOM 0 HH11 ARG A 90 11.908 -8.897 9.260 1.00 13.10 H new ATOM 0 HH12 ARG A 90 12.725 -7.401 8.797 1.00 13.10 H new ATOM 0 HH21 ARG A 90 13.476 -8.486 5.531 1.00 13.29 H new ATOM 0 HH22 ARG A 90 13.604 -7.172 6.704 1.00 13.29 H new ATOM 1375 N VAL A 91 8.212 -15.859 8.670 1.00 9.66 N ATOM 1376 CA VAL A 91 7.661 -16.797 9.620 1.00 10.29 C ATOM 1377 C VAL A 91 7.418 -18.165 8.988 1.00 9.81 C ATOM 1378 O VAL A 91 7.446 -19.188 9.678 1.00 10.52 O ATOM 1379 CB VAL A 91 6.304 -16.336 10.182 1.00 10.33 C ATOM 1380 CG1 VAL A 91 6.202 -16.611 11.677 1.00 11.64 C ATOM 1381 CG2 VAL A 91 5.992 -14.880 9.878 1.00 9.85 C ATOM 0 H VAL A 91 7.512 -15.451 8.050 1.00 9.66 H new ATOM 0 HA VAL A 91 8.403 -16.856 10.416 1.00 10.29 H new ATOM 0 HB VAL A 91 5.549 -16.929 9.666 1.00 10.33 H new ATOM 0 HG11 VAL A 91 5.232 -16.274 12.044 1.00 11.64 H new ATOM 0 HG12 VAL A 91 6.307 -17.681 11.858 1.00 11.64 H new ATOM 0 HG13 VAL A 91 6.994 -16.075 12.200 1.00 11.64 H new ATOM 0 HG21 VAL A 91 5.022 -14.620 10.302 1.00 9.85 H new ATOM 0 HG22 VAL A 91 6.762 -14.244 10.315 1.00 9.85 H new ATOM 0 HG23 VAL A 91 5.968 -14.731 8.799 1.00 9.85 H new ATOM 1391 N PHE A 92 7.182 -18.167 7.674 1.00 8.63 N ATOM 1392 CA PHE A 92 6.860 -19.403 6.946 1.00 8.08 C ATOM 1393 C PHE A 92 7.897 -19.801 5.891 1.00 7.58 C ATOM 1394 O PHE A 92 8.053 -20.992 5.606 1.00 7.57 O ATOM 1395 CB PHE A 92 5.525 -19.238 6.211 1.00 7.14 C ATOM 1396 CG PHE A 92 4.393 -18.650 7.012 1.00 7.60 C ATOM 1397 CD1 PHE A 92 3.492 -19.474 7.664 1.00 7.95 C ATOM 1398 CD2 PHE A 92 4.198 -17.272 7.063 1.00 7.88 C ATOM 1399 CE1 PHE A 92 2.417 -18.942 8.348 1.00 8.45 C ATOM 1400 CE2 PHE A 92 3.130 -16.740 7.746 1.00 8.39 C ATOM 1401 CZ PHE A 92 2.232 -17.573 8.386 1.00 8.62 C ATOM 0 H PHE A 92 7.207 -17.330 7.091 1.00 8.63 H new ATOM 0 HA PHE A 92 6.832 -20.182 7.708 1.00 8.08 H new ATOM 0 HB2 PHE A 92 5.690 -18.607 5.338 1.00 7.14 H new ATOM 0 HB3 PHE A 92 5.213 -20.216 5.844 1.00 7.14 H new ATOM 0 HD1 PHE A 92 3.631 -20.545 7.637 1.00 7.95 H new ATOM 0 HD2 PHE A 92 4.893 -16.615 6.561 1.00 7.88 H new ATOM 0 HE1 PHE A 92 1.721 -19.595 8.853 1.00 8.45 H new ATOM 0 HE2 PHE A 92 2.993 -15.669 7.782 1.00 8.39 H new ATOM 0 HZ PHE A 92 1.388 -17.155 8.914 1.00 8.62 H new ATOM 1411 N ALA A 93 8.600 -18.821 5.318 1.00 7.32 N ATOM 1412 CA ALA A 93 9.580 -19.098 4.266 1.00 7.11 C ATOM 1413 C ALA A 93 11.024 -19.112 4.801 1.00 8.33 C ATOM 1414 O ALA A 93 11.833 -18.229 4.487 1.00 8.83 O ATOM 1415 CB ALA A 93 9.390 -18.110 3.102 1.00 6.22 C ATOM 0 H ALA A 93 8.510 -17.835 5.563 1.00 7.32 H new ATOM 0 HA ALA A 93 9.403 -20.105 3.887 1.00 7.11 H new ATOM 0 HB1 ALA A 93 10.122 -18.321 2.322 1.00 6.22 H new ATOM 0 HB2 ALA A 93 8.385 -18.217 2.694 1.00 6.22 H new ATOM 0 HB3 ALA A 93 9.528 -17.091 3.463 1.00 6.22 H new ATOM 1421 N LYS A 94 11.329 -20.137 5.629 1.00 8.92 N ATOM 1422 CA LYS A 94 12.665 -20.342 6.238 1.00 10.13 C ATOM 1423 C LYS A 94 12.698 -21.626 7.103 1.00 10.64 C ATOM 1424 O LYS A 94 13.455 -21.718 8.079 1.00 11.32 O ATOM 1425 CB LYS A 94 13.150 -19.094 7.053 1.00 10.90 C ATOM 1426 CG LYS A 94 12.109 -18.454 7.982 1.00 11.36 C ATOM 1427 CD LYS A 94 11.543 -19.477 8.946 1.00 11.16 C ATOM 1428 CE LYS A 94 10.182 -19.962 8.495 1.00 10.61 C ATOM 1429 NZ LYS A 94 9.593 -20.949 9.441 1.00 11.01 N ATOM 0 H LYS A 94 10.651 -20.851 5.896 1.00 8.92 H new ATOM 0 HA LYS A 94 13.368 -20.472 5.415 1.00 10.13 H new ATOM 0 HB2 LYS A 94 14.011 -19.388 7.653 1.00 10.90 H new ATOM 0 HB3 LYS A 94 13.495 -18.336 6.349 1.00 10.90 H new ATOM 0 HG2 LYS A 94 12.567 -17.637 8.540 1.00 11.36 H new ATOM 0 HG3 LYS A 94 11.303 -18.022 7.389 1.00 11.36 H new ATOM 0 HD2 LYS A 94 12.226 -20.323 9.024 1.00 11.16 H new ATOM 0 HD3 LYS A 94 11.464 -19.038 9.941 1.00 11.16 H new ATOM 0 HE2 LYS A 94 9.509 -19.110 8.396 1.00 10.61 H new ATOM 0 HE3 LYS A 94 10.269 -20.415 7.508 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 9.458 -21.858 8.955 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 10.234 -21.080 10.249 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 8.675 -20.599 9.781 1.00 11.01 H new ATOM 1443 N ASP A 95 11.889 -22.622 6.711 1.00 10.41 N ATOM 1444 CA ASP A 95 11.761 -23.888 7.445 1.00 10.95 C ATOM 1445 C ASP A 95 12.892 -24.898 7.184 1.00 11.36 C ATOM 1446 O ASP A 95 12.736 -26.102 7.430 1.00 11.72 O ATOM 1447 CB ASP A 95 10.373 -24.520 7.196 1.00 10.75 C ATOM 1448 CG ASP A 95 10.050 -24.727 5.721 1.00 10.79 C ATOM 1449 OD1 ASP A 95 10.373 -25.810 5.189 1.00 11.08 O ATOM 1450 OD2 ASP A 95 9.474 -23.806 5.104 1.00 10.72 O ATOM 0 H ASP A 95 11.305 -22.571 5.876 1.00 10.41 H new ATOM 0 HA ASP A 95 11.858 -23.629 8.499 1.00 10.95 H new ATOM 0 HB2 ASP A 95 10.324 -25.481 7.708 1.00 10.75 H new ATOM 0 HB3 ASP A 95 9.608 -23.883 7.640 1.00 10.75 H new ATOM 1455 N GLY A 96 14.024 -24.397 6.713 1.00 11.41 N ATOM 1456 CA GLY A 96 15.164 -25.263 6.427 1.00 11.89 C ATOM 1457 C GLY A 96 16.073 -24.736 5.355 1.00 11.67 C ATOM 1458 O GLY A 96 16.839 -23.790 5.556 1.00 11.82 O ATOM 0 H GLY A 96 14.180 -23.407 6.522 1.00 11.41 H new ATOM 0 HA2 GLY A 96 15.740 -25.403 7.342 1.00 11.89 H new ATOM 0 HA3 GLY A 96 14.796 -26.245 6.128 1.00 11.89 H new ATOM 1462 N ASN A 97 15.958 -25.388 4.205 1.00 11.48 N ATOM 1463 CA ASN A 97 16.726 -25.105 2.995 1.00 11.39 C ATOM 1464 C ASN A 97 16.651 -23.637 2.553 1.00 11.24 C ATOM 1465 O ASN A 97 17.547 -23.134 1.869 1.00 11.69 O ATOM 1466 CB ASN A 97 16.170 -26.013 1.925 1.00 10.47 C ATOM 1467 CG ASN A 97 17.189 -26.385 0.861 1.00 10.82 C ATOM 1468 OD1 ASN A 97 17.852 -27.418 0.954 1.00 11.12 O ATOM 1469 ND2 ASN A 97 17.322 -25.538 -0.154 1.00 10.95 N ATOM 0 H ASN A 97 15.302 -26.159 4.083 1.00 11.48 H new ATOM 0 HA ASN A 97 17.784 -25.286 3.184 1.00 11.39 H new ATOM 0 HB2 ASN A 97 15.793 -26.923 2.391 1.00 10.47 H new ATOM 0 HB3 ASN A 97 15.320 -25.524 1.449 1.00 10.47 H new ATOM 0 HD21 ASN A 97 17.994 -25.733 -0.896 1.00 10.95 H new ATOM 0 HD22 ASN A 97 16.752 -24.693 -0.191 1.00 10.95 H new ATOM 1476 N GLY A 98 15.574 -22.983 2.959 1.00 10.71 N ATOM 1477 CA GLY A 98 15.362 -21.576 2.656 1.00 10.57 C ATOM 1478 C GLY A 98 14.244 -21.298 1.663 1.00 9.35 C ATOM 1479 O GLY A 98 13.817 -20.147 1.552 1.00 9.23 O ATOM 0 H GLY A 98 14.826 -23.410 3.505 1.00 10.71 H new ATOM 0 HA2 GLY A 98 15.144 -21.048 3.584 1.00 10.57 H new ATOM 0 HA3 GLY A 98 16.290 -21.160 2.263 1.00 10.57 H new ATOM 1483 N TYR A 99 13.745 -22.324 0.956 1.00 8.53 N ATOM 1484 CA TYR A 99 12.653 -22.116 0.020 1.00 7.35 C ATOM 1485 C TYR A 99 11.347 -22.661 0.592 1.00 6.60 C ATOM 1486 O TYR A 99 11.231 -23.853 0.890 1.00 6.68 O ATOM 1487 CB TYR A 99 12.946 -22.679 -1.397 1.00 7.03 C ATOM 1488 CG TYR A 99 13.167 -24.178 -1.534 1.00 7.42 C ATOM 1489 CD1 TYR A 99 14.190 -24.830 -0.857 1.00 7.29 C ATOM 1490 CD2 TYR A 99 12.354 -24.934 -2.382 1.00 8.16 C ATOM 1491 CE1 TYR A 99 14.398 -26.189 -1.012 1.00 7.85 C ATOM 1492 CE2 TYR A 99 12.558 -26.293 -2.537 1.00 8.71 C ATOM 1493 CZ TYR A 99 13.579 -26.914 -1.852 1.00 8.53 C ATOM 1494 OH TYR A 99 13.784 -28.265 -2.007 1.00 9.21 O ATOM 0 H TYR A 99 14.079 -23.286 1.019 1.00 8.53 H new ATOM 0 HA TYR A 99 12.548 -21.039 -0.113 1.00 7.35 H new ATOM 0 HB2 TYR A 99 12.115 -22.403 -2.045 1.00 7.03 H new ATOM 0 HB3 TYR A 99 13.832 -22.174 -1.781 1.00 7.03 H new ATOM 0 HD1 TYR A 99 14.834 -24.266 -0.198 1.00 7.29 H new ATOM 0 HD2 TYR A 99 11.555 -24.450 -2.924 1.00 8.16 H new ATOM 0 HE1 TYR A 99 15.198 -26.680 -0.478 1.00 7.85 H new ATOM 0 HE2 TYR A 99 11.919 -26.865 -3.193 1.00 8.71 H new ATOM 0 HH TYR A 99 13.121 -28.627 -2.632 1.00 9.21 H new ATOM 1504 N ILE A 100 10.370 -21.756 0.736 1.00 6.19 N ATOM 1505 CA ILE A 100 9.037 -22.065 1.284 1.00 5.73 C ATOM 1506 C ILE A 100 8.317 -23.158 0.480 1.00 4.64 C ATOM 1507 O ILE A 100 8.443 -23.221 -0.742 1.00 4.17 O ATOM 1508 CB ILE A 100 8.163 -20.767 1.340 1.00 5.84 C ATOM 1509 CG1 ILE A 100 6.818 -21.017 2.056 1.00 5.96 C ATOM 1510 CG2 ILE A 100 7.936 -20.170 -0.057 1.00 5.70 C ATOM 1511 CD1 ILE A 100 6.304 -19.826 2.847 1.00 6.65 C ATOM 0 H ILE A 100 10.481 -20.777 0.473 1.00 6.19 H new ATOM 0 HA ILE A 100 9.181 -22.449 2.294 1.00 5.73 H new ATOM 0 HB ILE A 100 8.722 -20.036 1.924 1.00 5.84 H new ATOM 0 HG12 ILE A 100 6.070 -21.296 1.314 1.00 5.96 H new ATOM 0 HG13 ILE A 100 6.930 -21.866 2.730 1.00 5.96 H new ATOM 0 HG21 ILE A 100 7.325 -19.271 0.026 1.00 5.70 H new ATOM 0 HG22 ILE A 100 8.897 -19.916 -0.505 1.00 5.70 H new ATOM 0 HG23 ILE A 100 7.425 -20.899 -0.686 1.00 5.70 H new ATOM 0 HD11 ILE A 100 5.356 -20.084 3.319 1.00 6.65 H new ATOM 0 HD12 ILE A 100 7.030 -19.558 3.615 1.00 6.65 H new ATOM 0 HD13 ILE A 100 6.157 -18.980 2.176 1.00 6.65 H new ATOM 1523 N SER A 101 7.553 -24.001 1.177 1.00 4.56 N ATOM 1524 CA SER A 101 6.814 -25.050 0.513 1.00 3.87 C ATOM 1525 C SER A 101 5.506 -24.532 -0.039 1.00 3.18 C ATOM 1526 O SER A 101 4.811 -23.735 0.597 1.00 3.33 O ATOM 1527 CB SER A 101 6.574 -26.258 1.408 1.00 4.59 C ATOM 1528 OG SER A 101 5.790 -25.927 2.544 1.00 5.48 O ATOM 0 H SER A 101 7.437 -23.971 2.190 1.00 4.56 H new ATOM 0 HA SER A 101 7.436 -25.385 -0.317 1.00 3.87 H new ATOM 0 HB2 SER A 101 6.073 -27.040 0.837 1.00 4.59 H new ATOM 0 HB3 SER A 101 7.531 -26.665 1.734 1.00 4.59 H new ATOM 0 HG SER A 101 6.265 -25.265 3.088 1.00 5.48 H new ATOM 1534 N ALA A 102 5.210 -24.998 -1.247 1.00 2.74 N ATOM 1535 CA ALA A 102 3.988 -24.640 -2.000 1.00 2.63 C ATOM 1536 C ALA A 102 2.695 -24.591 -1.163 1.00 3.39 C ATOM 1537 O ALA A 102 1.768 -23.864 -1.515 1.00 3.61 O ATOM 1538 CB ALA A 102 3.799 -25.624 -3.136 1.00 3.06 C ATOM 0 H ALA A 102 5.815 -25.647 -1.749 1.00 2.74 H new ATOM 0 HA ALA A 102 4.151 -23.623 -2.357 1.00 2.63 H new ATOM 0 HB1 ALA A 102 2.900 -25.366 -3.695 1.00 3.06 H new ATOM 0 HB2 ALA A 102 4.663 -25.584 -3.799 1.00 3.06 H new ATOM 0 HB3 ALA A 102 3.698 -26.631 -2.732 1.00 3.06 H new ATOM 1544 N ALA A 103 2.649 -25.356 -0.064 1.00 4.09 N ATOM 1545 CA ALA A 103 1.463 -25.426 0.804 1.00 5.20 C ATOM 1546 C ALA A 103 1.376 -24.294 1.841 1.00 5.47 C ATOM 1547 O ALA A 103 0.290 -24.027 2.363 1.00 6.33 O ATOM 1548 CB ALA A 103 1.422 -26.774 1.508 1.00 5.96 C ATOM 0 H ALA A 103 3.425 -25.940 0.248 1.00 4.09 H new ATOM 0 HA ALA A 103 0.600 -25.304 0.150 1.00 5.20 H new ATOM 0 HB1 ALA A 103 0.542 -26.823 2.150 1.00 5.96 H new ATOM 0 HB2 ALA A 103 1.374 -27.571 0.766 1.00 5.96 H new ATOM 0 HB3 ALA A 103 2.320 -26.896 2.113 1.00 5.96 H new ATOM 1554 N GLU A 104 2.507 -23.631 2.138 1.00 4.91 N ATOM 1555 CA GLU A 104 2.538 -22.550 3.143 1.00 5.33 C ATOM 1556 C GLU A 104 2.004 -21.214 2.602 1.00 4.76 C ATOM 1557 O GLU A 104 1.237 -20.539 3.291 1.00 5.38 O ATOM 1558 CB GLU A 104 3.955 -22.360 3.699 1.00 5.44 C ATOM 1559 CG GLU A 104 4.456 -23.531 4.533 1.00 6.31 C ATOM 1560 CD GLU A 104 5.855 -23.307 5.071 1.00 6.92 C ATOM 1561 OE1 GLU A 104 5.982 -22.741 6.178 1.00 7.26 O ATOM 1562 OE2 GLU A 104 6.824 -23.696 4.387 1.00 7.37 O ATOM 0 H GLU A 104 3.408 -23.822 1.700 1.00 4.91 H new ATOM 0 HA GLU A 104 1.872 -22.863 3.947 1.00 5.33 H new ATOM 0 HB2 GLU A 104 4.642 -22.199 2.868 1.00 5.44 H new ATOM 0 HB3 GLU A 104 3.977 -21.457 4.309 1.00 5.44 H new ATOM 0 HG2 GLU A 104 3.773 -23.698 5.366 1.00 6.31 H new ATOM 0 HG3 GLU A 104 4.445 -24.436 3.926 1.00 6.31 H new ATOM 1569 N LEU A 105 2.438 -20.827 1.385 1.00 3.64 N ATOM 1570 CA LEU A 105 2.014 -19.575 0.717 1.00 3.09 C ATOM 1571 C LEU A 105 0.536 -19.289 0.784 1.00 4.03 C ATOM 1572 O LEU A 105 0.134 -18.158 1.060 1.00 4.13 O ATOM 1573 CB LEU A 105 2.381 -19.611 -0.763 1.00 2.35 C ATOM 1574 CG LEU A 105 3.815 -20.042 -1.095 1.00 1.65 C ATOM 1575 CD1 LEU A 105 3.925 -20.473 -2.543 1.00 2.00 C ATOM 1576 CD2 LEU A 105 4.792 -18.921 -0.789 1.00 1.38 C ATOM 0 H LEU A 105 3.097 -21.376 0.833 1.00 3.64 H new ATOM 0 HA LEU A 105 2.538 -18.792 1.265 1.00 3.09 H new ATOM 0 HB2 LEU A 105 1.694 -20.288 -1.270 1.00 2.35 H new ATOM 0 HB3 LEU A 105 2.216 -18.618 -1.181 1.00 2.35 H new ATOM 0 HG LEU A 105 4.070 -20.897 -0.469 1.00 1.65 H new ATOM 0 HD11 LEU A 105 4.951 -20.774 -2.756 1.00 2.00 H new ATOM 0 HD12 LEU A 105 3.255 -21.313 -2.724 1.00 2.00 H new ATOM 0 HD13 LEU A 105 3.649 -19.642 -3.192 1.00 2.00 H new ATOM 0 HD21 LEU A 105 5.804 -19.245 -1.031 1.00 1.38 H new ATOM 0 HD22 LEU A 105 4.539 -18.045 -1.386 1.00 1.38 H new ATOM 0 HD23 LEU A 105 4.735 -18.668 0.270 1.00 1.38 H new ATOM 1588 N ARG A 106 -0.267 -20.305 0.510 1.00 4.83 N ATOM 1589 CA ARG A 106 -1.717 -20.141 0.517 1.00 5.95 C ATOM 1590 C ARG A 106 -2.202 -19.772 1.901 1.00 6.65 C ATOM 1591 O ARG A 106 -3.270 -19.203 2.069 1.00 7.39 O ATOM 1592 CB ARG A 106 -2.461 -21.393 0.043 1.00 6.81 C ATOM 1593 CG ARG A 106 -2.052 -21.905 -1.334 1.00 6.46 C ATOM 1594 CD ARG A 106 -1.010 -22.986 -1.210 1.00 5.99 C ATOM 1595 NE ARG A 106 -1.589 -24.282 -0.830 1.00 6.40 N ATOM 1596 CZ ARG A 106 -1.231 -25.464 -1.353 1.00 6.89 C ATOM 1597 NH1 ARG A 106 -0.288 -25.548 -2.290 1.00 7.08 N ATOM 1598 NH2 ARG A 106 -1.824 -26.573 -0.931 1.00 7.37 N ATOM 0 H ARG A 106 0.054 -21.246 0.281 1.00 4.83 H new ATOM 0 HA ARG A 106 -1.936 -19.338 -0.187 1.00 5.95 H new ATOM 0 HB2 ARG A 106 -2.303 -22.188 0.771 1.00 6.81 H new ATOM 0 HB3 ARG A 106 -3.530 -21.179 0.032 1.00 6.81 H new ATOM 0 HG2 ARG A 106 -2.926 -22.293 -1.858 1.00 6.46 H new ATOM 0 HG3 ARG A 106 -1.661 -21.082 -1.932 1.00 6.46 H new ATOM 0 HD2 ARG A 106 -0.484 -23.090 -2.159 1.00 5.99 H new ATOM 0 HD3 ARG A 106 -0.270 -22.690 -0.467 1.00 5.99 H new ATOM 0 HE ARG A 106 -2.317 -24.283 -0.116 1.00 6.40 H new ATOM 0 HH11 ARG A 106 0.177 -24.703 -2.623 1.00 7.08 H new ATOM 0 HH12 ARG A 106 -0.031 -26.457 -2.675 1.00 7.08 H new ATOM 0 HH21 ARG A 106 -2.547 -26.523 -0.213 1.00 7.37 H new ATOM 0 HH22 ARG A 106 -1.557 -27.475 -1.324 1.00 7.37 H new ATOM 1612 N HIS A 107 -1.410 -20.166 2.880 1.00 6.60 N ATOM 1613 CA HIS A 107 -1.656 -19.839 4.261 1.00 7.43 C ATOM 1614 C HIS A 107 -0.992 -18.501 4.601 1.00 6.90 C ATOM 1615 O HIS A 107 -1.377 -17.856 5.576 1.00 7.61 O ATOM 1616 CB HIS A 107 -1.137 -20.943 5.188 1.00 8.00 C ATOM 1617 CG HIS A 107 -1.938 -22.208 5.129 1.00 8.87 C ATOM 1618 ND1 HIS A 107 -1.937 -23.217 4.225 1.00 9.79 N flip ATOM 1619 CD2 HIS A 107 -2.875 -22.551 6.081 1.00 9.07 C flip ATOM 1620 CE1 HIS A 107 -2.863 -24.139 4.645 1.00 10.41 C flip ATOM 1621 NE2 HIS A 107 -3.415 -23.716 5.767 1.00 10.03 N flip ATOM 0 H HIS A 107 -0.571 -20.727 2.732 1.00 6.60 H new ATOM 0 HA HIS A 107 -2.732 -19.754 4.411 1.00 7.43 H new ATOM 0 HB2 HIS A 107 -0.102 -21.167 4.928 1.00 8.00 H new ATOM 0 HB3 HIS A 107 -1.135 -20.573 6.213 1.00 8.00 H new ATOM 0 HD1 HIS A 107 -1.357 -23.280 3.389 1.00 9.79 H new ATOM 0 HD2 HIS A 107 -3.128 -21.960 6.948 1.00 9.07 H new ATOM 0 HE1 HIS A 107 -3.102 -25.063 4.139 1.00 10.41 H new ATOM 1630 N VAL A 108 0.018 -18.091 3.788 1.00 5.69 N ATOM 1631 CA VAL A 108 0.720 -16.830 4.009 1.00 5.20 C ATOM 1632 C VAL A 108 0.010 -15.660 3.350 1.00 4.84 C ATOM 1633 O VAL A 108 -0.461 -14.764 4.043 1.00 5.36 O ATOM 1634 CB VAL A 108 2.201 -16.904 3.514 1.00 4.27 C ATOM 1635 CG1 VAL A 108 2.958 -15.607 3.787 1.00 4.16 C ATOM 1636 CG2 VAL A 108 2.935 -18.097 4.106 1.00 4.80 C ATOM 0 H VAL A 108 0.351 -18.622 2.983 1.00 5.69 H new ATOM 0 HA VAL A 108 0.721 -16.662 5.086 1.00 5.20 H new ATOM 0 HB VAL A 108 2.163 -17.041 2.433 1.00 4.27 H new ATOM 0 HG11 VAL A 108 3.983 -15.701 3.428 1.00 4.16 H new ATOM 0 HG12 VAL A 108 2.466 -14.783 3.270 1.00 4.16 H new ATOM 0 HG13 VAL A 108 2.966 -15.409 4.859 1.00 4.16 H new ATOM 0 HG21 VAL A 108 3.961 -18.113 3.737 1.00 4.80 H new ATOM 0 HG22 VAL A 108 2.941 -18.017 5.193 1.00 4.80 H new ATOM 0 HG23 VAL A 108 2.430 -19.017 3.812 1.00 4.80 H new ATOM 1646 N MET A 109 -0.060 -15.672 2.022 1.00 4.11 N ATOM 1647 CA MET A 109 -0.762 -14.621 1.273 1.00 4.08 C ATOM 1648 C MET A 109 -2.180 -14.447 1.807 1.00 5.33 C ATOM 1649 O MET A 109 -2.692 -13.326 1.872 1.00 5.53 O ATOM 1650 CB MET A 109 -0.763 -14.922 -0.215 1.00 3.81 C ATOM 1651 CG MET A 109 0.517 -14.450 -0.901 1.00 2.70 C ATOM 1652 SD MET A 109 0.428 -14.519 -2.697 1.00 3.27 S ATOM 1653 CE MET A 109 0.575 -16.275 -2.963 1.00 3.46 C ATOM 0 H MET A 109 0.359 -16.395 1.438 1.00 4.11 H new ATOM 0 HA MET A 109 -0.230 -13.680 1.414 1.00 4.08 H new ATOM 0 HB2 MET A 109 -0.880 -15.995 -0.367 1.00 3.81 H new ATOM 0 HB3 MET A 109 -1.622 -14.439 -0.681 1.00 3.81 H new ATOM 0 HG2 MET A 109 0.730 -13.426 -0.594 1.00 2.70 H new ATOM 0 HG3 MET A 109 1.351 -15.064 -0.561 1.00 2.70 H new ATOM 0 HE1 MET A 109 -0.165 -16.595 -3.696 1.00 3.46 H new ATOM 0 HE2 MET A 109 1.575 -16.505 -3.332 1.00 3.46 H new ATOM 0 HE3 MET A 109 0.406 -16.801 -2.023 1.00 3.46 H new ATOM 1663 N THR A 110 -2.809 -15.575 2.186 1.00 6.20 N ATOM 1664 CA THR A 110 -4.130 -15.539 2.818 1.00 7.45 C ATOM 1665 C THR A 110 -4.024 -14.962 4.249 1.00 7.80 C ATOM 1666 O THR A 110 -4.960 -14.310 4.718 1.00 8.54 O ATOM 1667 CB THR A 110 -4.763 -16.942 2.867 1.00 8.32 C ATOM 1668 OG1 THR A 110 -4.825 -17.477 1.540 1.00 8.16 O ATOM 1669 CG2 THR A 110 -6.175 -16.930 3.458 1.00 9.65 C ATOM 0 H THR A 110 -2.424 -16.512 2.065 1.00 6.20 H new ATOM 0 HA THR A 110 -4.771 -14.895 2.216 1.00 7.45 H new ATOM 0 HB THR A 110 -4.137 -17.558 3.513 1.00 8.32 H new ATOM 0 HG1 THR A 110 -4.092 -18.114 1.410 1.00 8.16 H new ATOM 0 HG21 THR A 110 -6.574 -17.944 3.469 1.00 9.65 H new ATOM 0 HG22 THR A 110 -6.140 -16.543 4.476 1.00 9.65 H new ATOM 0 HG23 THR A 110 -6.818 -16.294 2.850 1.00 9.65 H new ATOM 1677 N ASN A 111 -2.881 -15.211 4.940 1.00 7.42 N ATOM 1678 CA ASN A 111 -2.672 -14.685 6.306 1.00 8.00 C ATOM 1679 C ASN A 111 -2.700 -13.142 6.343 1.00 7.57 C ATOM 1680 O ASN A 111 -3.214 -12.556 7.300 1.00 8.26 O ATOM 1681 CB ASN A 111 -1.344 -15.193 6.882 1.00 7.98 C ATOM 1682 CG ASN A 111 -1.355 -15.283 8.398 1.00 9.16 C ATOM 1683 OD1 ASN A 111 -1.006 -14.327 9.091 1.00 9.84 O ATOM 1684 ND2 ASN A 111 -1.756 -16.436 8.920 1.00 9.58 N ATOM 0 H ASN A 111 -2.104 -15.764 4.577 1.00 7.42 H new ATOM 0 HA ASN A 111 -3.497 -15.050 6.918 1.00 8.00 H new ATOM 0 HB2 ASN A 111 -1.126 -16.177 6.466 1.00 7.98 H new ATOM 0 HB3 ASN A 111 -0.539 -14.528 6.568 1.00 7.98 H new ATOM 0 HD21 ASN A 111 -1.783 -16.555 9.933 1.00 9.58 H new ATOM 0 HD22 ASN A 111 -2.037 -17.203 8.308 1.00 9.58 H new ATOM 1691 N LEU A 112 -2.146 -12.498 5.298 1.00 6.48 N ATOM 1692 CA LEU A 112 -2.114 -11.038 5.207 1.00 6.02 C ATOM 1693 C LEU A 112 -3.362 -10.494 4.518 1.00 6.50 C ATOM 1694 O LEU A 112 -3.993 -9.554 5.013 1.00 6.87 O ATOM 1695 CB LEU A 112 -0.856 -10.528 4.461 1.00 4.81 C ATOM 1696 CG LEU A 112 0.529 -10.925 5.027 1.00 4.44 C ATOM 1697 CD1 LEU A 112 0.623 -10.704 6.537 1.00 4.55 C ATOM 1698 CD2 LEU A 112 0.858 -12.367 4.677 1.00 4.77 C ATOM 0 H LEU A 112 -1.715 -12.974 4.506 1.00 6.48 H new ATOM 0 HA LEU A 112 -2.081 -10.671 6.233 1.00 6.02 H new ATOM 0 HB2 LEU A 112 -0.911 -10.881 3.431 1.00 4.81 H new ATOM 0 HB3 LEU A 112 -0.905 -9.440 4.427 1.00 4.81 H new ATOM 0 HG LEU A 112 1.265 -10.271 4.559 1.00 4.44 H new ATOM 0 HD11 LEU A 112 1.613 -10.997 6.887 1.00 4.55 H new ATOM 0 HD12 LEU A 112 0.456 -9.651 6.762 1.00 4.55 H new ATOM 0 HD13 LEU A 112 -0.133 -11.307 7.041 1.00 4.55 H new ATOM 0 HD21 LEU A 112 1.835 -12.626 5.084 1.00 4.77 H new ATOM 0 HD22 LEU A 112 0.101 -13.026 5.102 1.00 4.77 H new ATOM 0 HD23 LEU A 112 0.874 -12.484 3.593 1.00 4.77 H new ATOM 1710 N GLY A 113 -3.705 -11.098 3.375 1.00 6.67 N ATOM 1711 CA GLY A 113 -4.870 -10.675 2.610 1.00 7.40 C ATOM 1712 C GLY A 113 -6.139 -11.402 3.005 1.00 8.34 C ATOM 1713 O GLY A 113 -6.152 -12.631 3.112 1.00 8.64 O ATOM 0 H GLY A 113 -3.191 -11.878 2.965 1.00 6.67 H new ATOM 0 HA2 GLY A 113 -5.016 -9.603 2.745 1.00 7.40 H new ATOM 0 HA3 GLY A 113 -4.680 -10.840 1.549 1.00 7.40 H new ATOM 1717 N GLU A 114 -7.208 -10.627 3.212 1.00 8.94 N ATOM 1718 CA GLU A 114 -8.517 -11.170 3.593 1.00 10.00 C ATOM 1719 C GLU A 114 -9.326 -11.565 2.363 1.00 10.47 C ATOM 1720 O GLU A 114 -10.142 -12.490 2.410 1.00 11.33 O ATOM 1721 CB GLU A 114 -9.301 -10.145 4.412 1.00 10.43 C ATOM 1722 CG GLU A 114 -8.756 -9.925 5.816 1.00 10.39 C ATOM 1723 CD GLU A 114 -9.555 -8.900 6.598 1.00 11.02 C ATOM 1724 OE1 GLU A 114 -10.519 -9.298 7.286 1.00 11.20 O ATOM 1725 OE2 GLU A 114 -9.217 -7.700 6.522 1.00 11.47 O ATOM 0 H GLU A 114 -7.192 -9.611 3.121 1.00 8.94 H new ATOM 0 HA GLU A 114 -8.344 -12.060 4.198 1.00 10.00 H new ATOM 0 HB2 GLU A 114 -9.300 -9.194 3.880 1.00 10.43 H new ATOM 0 HB3 GLU A 114 -10.339 -10.470 4.483 1.00 10.43 H new ATOM 0 HG2 GLU A 114 -8.760 -10.872 6.356 1.00 10.39 H new ATOM 0 HG3 GLU A 114 -7.718 -9.599 5.752 1.00 10.39 H new ATOM 1732 N LYS A 115 -9.080 -10.845 1.272 1.00 10.04 N ATOM 1733 CA LYS A 115 -9.757 -11.080 -0.007 1.00 10.61 C ATOM 1734 C LYS A 115 -8.988 -12.068 -0.866 1.00 10.14 C ATOM 1735 O LYS A 115 -9.567 -12.853 -1.622 1.00 10.70 O ATOM 1736 CB LYS A 115 -9.928 -9.766 -0.781 1.00 11.03 C ATOM 1737 CG LYS A 115 -8.617 -8.984 -0.925 1.00 10.36 C ATOM 1738 CD LYS A 115 -8.679 -7.619 -0.240 1.00 10.71 C ATOM 1739 CE LYS A 115 -8.668 -7.743 1.281 1.00 10.61 C ATOM 1740 NZ LYS A 115 -9.042 -6.466 1.949 1.00 10.83 N ATOM 0 H LYS A 115 -8.405 -10.080 1.246 1.00 10.04 H new ATOM 0 HA LYS A 115 -10.738 -11.499 0.219 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -10.327 -9.983 -1.772 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -10.663 -9.143 -0.271 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -7.800 -9.566 -0.498 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -8.392 -8.848 -1.983 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -7.831 -7.013 -0.561 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -9.582 -7.096 -0.555 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -9.361 -8.528 1.585 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -7.675 -8.048 1.612 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 -9.022 -6.595 2.981 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 -8.366 -5.723 1.680 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 -9.999 -6.187 1.654 1.00 10.83 H new ATOM 1754 N LEU A 116 -7.674 -11.998 -0.719 1.00 9.19 N ATOM 1755 CA LEU A 116 -6.740 -12.823 -1.461 1.00 8.69 C ATOM 1756 C LEU A 116 -6.890 -14.310 -1.111 1.00 9.07 C ATOM 1757 O LEU A 116 -6.720 -14.704 0.049 1.00 9.05 O ATOM 1758 CB LEU A 116 -5.327 -12.353 -1.154 1.00 7.40 C ATOM 1759 CG LEU A 116 -4.918 -11.004 -1.773 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -3.879 -10.305 -0.906 1.00 6.44 C ATOM 1761 CD2 LEU A 116 -4.376 -11.190 -3.183 1.00 6.43 C ATOM 0 H LEU A 116 -7.222 -11.355 -0.069 1.00 9.19 H new ATOM 0 HA LEU A 116 -6.952 -12.720 -2.525 1.00 8.69 H new ATOM 0 HB2 LEU A 116 -5.215 -12.283 -0.072 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -4.628 -13.116 -1.498 1.00 7.40 H new ATOM 0 HG LEU A 116 -5.811 -10.381 -1.825 1.00 6.84 H new ATOM 0 HD11 LEU A 116 -3.605 -9.354 -1.362 1.00 6.44 H new ATOM 0 HD12 LEU A 116 -4.294 -10.125 0.086 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -2.994 -10.935 -0.820 1.00 6.44 H new ATOM 0 HD21 LEU A 116 -4.095 -10.221 -3.596 1.00 6.43 H new ATOM 0 HD22 LEU A 116 -3.501 -11.839 -3.154 1.00 6.43 H new ATOM 0 HD23 LEU A 116 -5.143 -11.643 -3.811 1.00 6.43 H new ATOM 1773 N THR A 117 -7.221 -15.118 -2.119 1.00 9.56 N ATOM 1774 CA THR A 117 -7.418 -16.544 -1.940 1.00 10.01 C ATOM 1775 C THR A 117 -6.285 -17.395 -2.452 1.00 9.24 C ATOM 1776 O THR A 117 -5.232 -16.916 -2.871 1.00 8.29 O ATOM 1777 CB THR A 117 -8.696 -17.058 -2.622 1.00 11.26 C ATOM 1778 OG1 THR A 117 -8.844 -16.476 -3.924 1.00 11.46 O ATOM 1779 CG2 THR A 117 -9.884 -16.738 -1.767 1.00 12.18 C ATOM 0 H THR A 117 -7.358 -14.797 -3.077 1.00 9.56 H new ATOM 0 HA THR A 117 -7.485 -16.644 -0.857 1.00 10.01 H new ATOM 0 HB THR A 117 -8.623 -18.139 -2.742 1.00 11.26 H new ATOM 0 HG1 THR A 117 -9.662 -16.816 -4.343 1.00 11.46 H new ATOM 0 HG21 THR A 117 -10.790 -17.103 -2.251 1.00 12.18 H new ATOM 0 HG22 THR A 117 -9.773 -17.219 -0.795 1.00 12.18 H new ATOM 0 HG23 THR A 117 -9.955 -15.659 -1.631 1.00 12.18 H new ATOM 1787 N ASP A 118 -6.554 -18.688 -2.361 1.00 9.74 N ATOM 1788 CA ASP A 118 -5.681 -19.755 -2.811 1.00 9.28 C ATOM 1789 C ASP A 118 -5.514 -19.755 -4.316 1.00 9.42 C ATOM 1790 O ASP A 118 -4.478 -20.180 -4.835 1.00 8.80 O ATOM 1791 CB ASP A 118 -6.307 -21.055 -2.359 1.00 10.08 C ATOM 1792 CG ASP A 118 -5.868 -21.469 -0.968 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -6.220 -20.763 0.000 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -5.176 -22.501 -0.847 1.00 9.76 O ATOM 0 H ASP A 118 -7.423 -19.034 -1.954 1.00 9.74 H new ATOM 0 HA ASP A 118 -4.686 -19.619 -2.388 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -7.392 -20.956 -2.377 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -6.047 -21.843 -3.066 1.00 10.08 H new ATOM 1799 N GLU A 119 -6.547 -19.278 -5.007 1.00 10.37 N ATOM 1800 CA GLU A 119 -6.520 -19.173 -6.461 1.00 10.83 C ATOM 1801 C GLU A 119 -5.500 -18.130 -6.881 1.00 10.04 C ATOM 1802 O GLU A 119 -5.023 -18.134 -8.015 1.00 10.27 O ATOM 1803 CB GLU A 119 -7.907 -18.850 -7.034 1.00 12.10 C ATOM 1804 CG GLU A 119 -8.905 -20.003 -6.951 1.00 13.08 C ATOM 1805 CD GLU A 119 -9.523 -20.155 -5.572 1.00 14.16 C ATOM 1806 OE1 GLU A 119 -10.579 -19.536 -5.322 1.00 14.50 O ATOM 1807 OE2 GLU A 119 -8.950 -20.893 -4.743 1.00 14.78 O ATOM 0 H GLU A 119 -7.416 -18.957 -4.580 1.00 10.37 H new ATOM 0 HA GLU A 119 -6.227 -20.141 -6.868 1.00 10.83 H new ATOM 0 HB2 GLU A 119 -8.316 -17.991 -6.502 1.00 12.10 H new ATOM 0 HB3 GLU A 119 -7.796 -18.555 -8.077 1.00 12.10 H new ATOM 0 HG2 GLU A 119 -9.697 -19.844 -7.683 1.00 13.08 H new ATOM 0 HG3 GLU A 119 -8.402 -20.931 -7.222 1.00 13.08 H new ATOM 1814 N GLU A 120 -5.173 -17.240 -5.933 1.00 9.24 N ATOM 1815 CA GLU A 120 -4.131 -16.241 -6.128 1.00 8.40 C ATOM 1816 C GLU A 120 -2.818 -16.999 -6.191 1.00 7.57 C ATOM 1817 O GLU A 120 -1.956 -16.706 -7.013 1.00 7.44 O ATOM 1818 CB GLU A 120 -4.094 -15.227 -4.967 1.00 7.71 C ATOM 1819 CG GLU A 120 -3.339 -13.930 -5.261 1.00 7.14 C ATOM 1820 CD GLU A 120 -4.017 -13.052 -6.302 1.00 8.10 C ATOM 1821 OE1 GLU A 120 -4.996 -12.361 -5.951 1.00 8.52 O ATOM 1822 OE2 GLU A 120 -3.565 -13.057 -7.467 1.00 8.58 O ATOM 0 H GLU A 120 -5.624 -17.198 -5.019 1.00 9.24 H new ATOM 0 HA GLU A 120 -4.318 -15.672 -7.039 1.00 8.40 H new ATOM 0 HB2 GLU A 120 -5.118 -14.978 -4.690 1.00 7.71 H new ATOM 0 HB3 GLU A 120 -3.637 -15.706 -4.101 1.00 7.71 H new ATOM 0 HG2 GLU A 120 -3.232 -13.364 -4.335 1.00 7.14 H new ATOM 0 HG3 GLU A 120 -2.334 -14.175 -5.604 1.00 7.14 H new ATOM 1829 N VAL A 121 -2.709 -18.033 -5.338 1.00 7.19 N ATOM 1830 CA VAL A 121 -1.541 -18.856 -5.284 1.00 6.42 C ATOM 1831 C VAL A 121 -1.452 -19.768 -6.509 1.00 7.15 C ATOM 1832 O VAL A 121 -0.446 -19.753 -7.212 1.00 6.95 O ATOM 1833 CB VAL A 121 -1.541 -19.667 -3.971 1.00 5.97 C ATOM 1834 CG1 VAL A 121 -0.236 -20.386 -3.806 1.00 5.00 C ATOM 1835 CG2 VAL A 121 -1.797 -18.761 -2.766 1.00 5.72 C ATOM 0 H VAL A 121 -3.439 -18.301 -4.678 1.00 7.19 H new ATOM 0 HA VAL A 121 -0.656 -18.219 -5.298 1.00 6.42 H new ATOM 0 HB VAL A 121 -2.347 -20.399 -4.025 1.00 5.97 H new ATOM 0 HG11 VAL A 121 -0.249 -20.954 -2.876 1.00 5.00 H new ATOM 0 HG12 VAL A 121 -0.087 -21.066 -4.645 1.00 5.00 H new ATOM 0 HG13 VAL A 121 0.578 -19.661 -3.777 1.00 5.00 H new ATOM 0 HG21 VAL A 121 -1.792 -19.358 -1.854 1.00 5.72 H new ATOM 0 HG22 VAL A 121 -1.016 -18.003 -2.708 1.00 5.72 H new ATOM 0 HG23 VAL A 121 -2.766 -18.275 -2.876 1.00 5.72 H new ATOM 1845 N ASP A 122 -2.536 -20.501 -6.784 1.00 8.17 N ATOM 1846 CA ASP A 122 -2.599 -21.436 -7.937 1.00 9.00 C ATOM 1847 C ASP A 122 -2.368 -20.714 -9.265 1.00 9.58 C ATOM 1848 O ASP A 122 -1.936 -21.326 -10.244 1.00 10.07 O ATOM 1849 CB ASP A 122 -3.941 -22.175 -7.972 1.00 10.08 C ATOM 1850 CG ASP A 122 -4.127 -23.112 -6.792 1.00 9.97 C ATOM 1851 OD1 ASP A 122 -4.671 -22.668 -5.760 1.00 10.09 O ATOM 1852 OD2 ASP A 122 -3.729 -24.291 -6.903 1.00 9.98 O ATOM 0 H ASP A 122 -3.390 -20.472 -6.228 1.00 8.17 H new ATOM 0 HA ASP A 122 -1.798 -22.163 -7.802 1.00 9.00 H new ATOM 0 HB2 ASP A 122 -4.752 -21.446 -7.983 1.00 10.08 H new ATOM 0 HB3 ASP A 122 -4.013 -22.745 -8.898 1.00 10.08 H new ATOM 1857 N GLU A 123 -2.657 -19.408 -9.272 1.00 9.61 N ATOM 1858 CA GLU A 123 -2.457 -18.554 -10.450 1.00 10.24 C ATOM 1859 C GLU A 123 -0.969 -18.240 -10.630 1.00 9.65 C ATOM 1860 O GLU A 123 -0.469 -18.192 -11.758 1.00 10.36 O ATOM 1861 CB GLU A 123 -3.254 -17.253 -10.324 1.00 10.45 C ATOM 1862 CG GLU A 123 -4.656 -17.340 -10.904 1.00 11.70 C ATOM 1863 CD GLU A 123 -5.424 -16.040 -10.770 1.00 11.94 C ATOM 1864 OE1 GLU A 123 -5.339 -15.202 -11.692 1.00 12.02 O ATOM 1865 OE2 GLU A 123 -6.111 -15.859 -9.743 1.00 12.16 O ATOM 0 H GLU A 123 -3.035 -18.914 -8.464 1.00 9.61 H new ATOM 0 HA GLU A 123 -2.817 -19.095 -11.326 1.00 10.24 H new ATOM 0 HB2 GLU A 123 -3.322 -16.979 -9.271 1.00 10.45 H new ATOM 0 HB3 GLU A 123 -2.710 -16.453 -10.827 1.00 10.45 H new ATOM 0 HG2 GLU A 123 -4.593 -17.614 -11.957 1.00 11.70 H new ATOM 0 HG3 GLU A 123 -5.205 -18.136 -10.400 1.00 11.70 H new ATOM 1872 N MET A 124 -0.275 -18.023 -9.498 1.00 8.45 N ATOM 1873 CA MET A 124 1.159 -17.742 -9.493 1.00 7.91 C ATOM 1874 C MET A 124 1.986 -19.009 -9.496 1.00 7.70 C ATOM 1875 O MET A 124 3.171 -18.982 -9.844 1.00 7.76 O ATOM 1876 CB MET A 124 1.529 -16.900 -8.280 1.00 6.78 C ATOM 1877 CG MET A 124 1.741 -15.441 -8.618 1.00 6.98 C ATOM 1878 SD MET A 124 1.140 -14.321 -7.342 1.00 6.62 S ATOM 1879 CE MET A 124 -0.619 -14.443 -7.638 1.00 7.40 C ATOM 0 H MET A 124 -0.696 -18.039 -8.569 1.00 8.45 H new ATOM 0 HA MET A 124 1.380 -17.191 -10.407 1.00 7.91 H new ATOM 0 HB2 MET A 124 0.741 -16.983 -7.532 1.00 6.78 H new ATOM 0 HB3 MET A 124 2.438 -17.299 -7.831 1.00 6.78 H new ATOM 0 HG2 MET A 124 2.804 -15.263 -8.777 1.00 6.98 H new ATOM 0 HG3 MET A 124 1.236 -15.215 -9.557 1.00 6.98 H new ATOM 0 HE1 MET A 124 -1.018 -13.456 -7.870 1.00 7.40 H new ATOM 0 HE2 MET A 124 -0.801 -15.114 -8.477 1.00 7.40 H new ATOM 0 HE3 MET A 124 -1.112 -14.833 -6.748 1.00 7.40 H new ATOM 1889 N ILE A 125 1.358 -20.114 -9.109 1.00 7.60 N ATOM 1890 CA ILE A 125 2.023 -21.399 -9.063 1.00 7.41 C ATOM 1891 C ILE A 125 2.434 -21.881 -10.452 1.00 8.49 C ATOM 1892 O ILE A 125 3.554 -22.358 -10.645 1.00 8.45 O ATOM 1893 CB ILE A 125 1.175 -22.450 -8.350 1.00 7.24 C ATOM 1894 CG1 ILE A 125 1.047 -22.097 -6.871 1.00 6.16 C ATOM 1895 CG2 ILE A 125 1.848 -23.771 -8.510 1.00 7.27 C ATOM 1896 CD1 ILE A 125 -0.026 -22.845 -6.148 1.00 6.48 C ATOM 0 H ILE A 125 0.380 -20.139 -8.821 1.00 7.60 H new ATOM 0 HA ILE A 125 2.935 -21.257 -8.482 1.00 7.41 H new ATOM 0 HB ILE A 125 0.174 -22.487 -8.779 1.00 7.24 H new ATOM 0 HG12 ILE A 125 2.001 -22.290 -6.380 1.00 6.16 H new ATOM 0 HG13 ILE A 125 0.852 -21.028 -6.781 1.00 6.16 H new ATOM 0 HG21 ILE A 125 1.262 -24.541 -8.009 1.00 7.27 H new ATOM 0 HG22 ILE A 125 1.931 -24.011 -9.570 1.00 7.27 H new ATOM 0 HG23 ILE A 125 2.844 -23.728 -8.068 1.00 7.27 H new ATOM 0 HD11 ILE A 125 -0.047 -22.533 -5.104 1.00 6.48 H new ATOM 0 HD12 ILE A 125 -0.991 -22.634 -6.609 1.00 6.48 H new ATOM 0 HD13 ILE A 125 0.176 -23.915 -6.203 1.00 6.48 H new ATOM 1908 N ARG A 126 1.490 -21.796 -11.381 1.00 9.53 N ATOM 1909 CA ARG A 126 1.702 -22.150 -12.803 1.00 10.70 C ATOM 1910 C ARG A 126 3.029 -21.581 -13.318 1.00 10.89 C ATOM 1911 O ARG A 126 3.729 -22.233 -14.097 1.00 11.45 O ATOM 1912 CB ARG A 126 0.575 -21.602 -13.688 1.00 11.76 C ATOM 1913 CG ARG A 126 -0.836 -21.909 -13.210 1.00 12.03 C ATOM 1914 CD ARG A 126 -1.664 -20.639 -13.174 1.00 12.20 C ATOM 1915 NE ARG A 126 -3.042 -20.887 -12.734 1.00 12.92 N ATOM 1916 CZ ARG A 126 -4.082 -20.080 -12.988 1.00 13.50 C ATOM 1917 NH1 ARG A 126 -3.928 -18.955 -13.684 1.00 13.44 N ATOM 1918 NH2 ARG A 126 -5.287 -20.405 -12.539 1.00 14.26 N ATOM 0 H ARG A 126 0.542 -21.478 -11.180 1.00 9.53 H new ATOM 0 HA ARG A 126 1.716 -23.239 -12.857 1.00 10.70 H new ATOM 0 HB2 ARG A 126 0.688 -20.520 -13.763 1.00 11.76 H new ATOM 0 HB3 ARG A 126 0.696 -22.006 -14.693 1.00 11.76 H new ATOM 0 HG2 ARG A 126 -1.302 -22.637 -13.874 1.00 12.03 H new ATOM 0 HG3 ARG A 126 -0.802 -22.358 -12.217 1.00 12.03 H new ATOM 0 HD2 ARG A 126 -1.194 -19.920 -12.503 1.00 12.20 H new ATOM 0 HD3 ARG A 126 -1.677 -20.188 -14.166 1.00 12.20 H new ATOM 0 HE ARG A 126 -3.221 -21.735 -12.196 1.00 12.92 H new ATOM 0 HH11 ARG A 126 -3.006 -18.694 -14.034 1.00 13.44 H new ATOM 0 HH12 ARG A 126 -4.732 -18.354 -13.867 1.00 13.44 H new ATOM 0 HH21 ARG A 126 -5.418 -21.264 -12.004 1.00 14.26 H new ATOM 0 HH22 ARG A 126 -6.083 -19.796 -12.728 1.00 14.26 H new ATOM 1932 N GLU A 127 3.360 -20.351 -12.867 1.00 10.50 N ATOM 1933 CA GLU A 127 4.612 -19.695 -13.249 1.00 10.79 C ATOM 1934 C GLU A 127 5.782 -20.224 -12.416 1.00 10.06 C ATOM 1935 O GLU A 127 6.922 -20.257 -12.890 1.00 10.61 O ATOM 1936 CB GLU A 127 4.489 -18.185 -13.071 1.00 10.70 C ATOM 1937 CG GLU A 127 3.677 -17.497 -14.167 1.00 11.77 C ATOM 1938 CD GLU A 127 4.476 -17.259 -15.437 1.00 12.85 C ATOM 1939 OE1 GLU A 127 4.468 -18.143 -16.318 1.00 13.26 O ATOM 1940 OE2 GLU A 127 5.109 -16.187 -15.548 1.00 13.42 O ATOM 0 H GLU A 127 2.773 -19.801 -12.240 1.00 10.50 H new ATOM 0 HA GLU A 127 4.807 -19.918 -14.298 1.00 10.79 H new ATOM 0 HB2 GLU A 127 4.026 -17.979 -12.106 1.00 10.70 H new ATOM 0 HB3 GLU A 127 5.488 -17.749 -13.045 1.00 10.70 H new ATOM 0 HG2 GLU A 127 2.805 -18.107 -14.402 1.00 11.77 H new ATOM 0 HG3 GLU A 127 3.307 -16.542 -13.793 1.00 11.77 H new ATOM 1947 N ALA A 128 5.483 -20.637 -11.171 1.00 8.89 N ATOM 1948 CA ALA A 128 6.490 -21.189 -10.256 1.00 8.16 C ATOM 1949 C ALA A 128 6.934 -22.602 -10.644 1.00 8.57 C ATOM 1950 O ALA A 128 8.043 -23.021 -10.302 1.00 8.66 O ATOM 1951 CB ALA A 128 5.915 -21.241 -8.864 1.00 6.87 C ATOM 0 H ALA A 128 4.543 -20.597 -10.776 1.00 8.89 H new ATOM 0 HA ALA A 128 7.362 -20.537 -10.309 1.00 8.16 H new ATOM 0 HB1 ALA A 128 6.657 -21.650 -8.179 1.00 6.87 H new ATOM 0 HB2 ALA A 128 5.642 -20.235 -8.545 1.00 6.87 H new ATOM 0 HB3 ALA A 128 5.029 -21.876 -8.860 1.00 6.87 H new ATOM 1957 N ALA A 129 6.036 -23.328 -11.345 1.00 8.95 N ATOM 1958 CA ALA A 129 6.246 -24.729 -11.786 1.00 9.43 C ATOM 1959 C ALA A 129 5.973 -25.684 -10.622 1.00 8.51 C ATOM 1960 O ALA A 129 5.130 -26.578 -10.730 1.00 8.76 O ATOM 1961 CB ALA A 129 7.638 -24.969 -12.391 1.00 10.42 C ATOM 0 H ALA A 129 5.130 -22.953 -11.626 1.00 8.95 H new ATOM 0 HA ALA A 129 5.537 -24.927 -12.590 1.00 9.43 H new ATOM 0 HB1 ALA A 129 7.728 -26.012 -12.694 1.00 10.42 H new ATOM 0 HB2 ALA A 129 7.772 -24.326 -13.261 1.00 10.42 H new ATOM 0 HB3 ALA A 129 8.402 -24.739 -11.648 1.00 10.42 H new ATOM 1967 N ILE A 130 6.693 -25.467 -9.498 1.00 7.54 N ATOM 1968 CA ILE A 130 6.546 -26.248 -8.248 1.00 6.69 C ATOM 1969 C ILE A 130 7.063 -27.688 -8.352 1.00 6.68 C ATOM 1970 O ILE A 130 7.724 -28.187 -7.437 1.00 6.97 O ATOM 1971 CB ILE A 130 5.063 -26.194 -7.722 1.00 5.80 C ATOM 1972 CG1 ILE A 130 5.024 -25.729 -6.263 1.00 5.43 C ATOM 1973 CG2 ILE A 130 4.305 -27.517 -7.868 1.00 6.19 C ATOM 1974 CD1 ILE A 130 5.069 -24.221 -6.081 1.00 4.53 C ATOM 0 H ILE A 130 7.401 -24.736 -9.432 1.00 7.54 H new ATOM 0 HA ILE A 130 7.190 -25.767 -7.512 1.00 6.69 H new ATOM 0 HB ILE A 130 4.551 -25.472 -8.358 1.00 5.80 H new ATOM 0 HG12 ILE A 130 4.116 -26.112 -5.797 1.00 5.43 H new ATOM 0 HG13 ILE A 130 5.866 -26.172 -5.731 1.00 5.43 H new ATOM 0 HG21 ILE A 130 3.292 -27.400 -7.484 1.00 6.19 H new ATOM 0 HG22 ILE A 130 4.264 -27.799 -8.920 1.00 6.19 H new ATOM 0 HG23 ILE A 130 4.819 -28.295 -7.304 1.00 6.19 H new ATOM 0 HD11 ILE A 130 5.037 -23.982 -5.018 1.00 4.53 H new ATOM 0 HD12 ILE A 130 5.990 -23.830 -6.514 1.00 4.53 H new ATOM 0 HD13 ILE A 130 4.212 -23.768 -6.581 1.00 4.53 H new ATOM 1986 N ASP A 131 6.751 -28.327 -9.470 1.00 6.58 N ATOM 1987 CA ASP A 131 7.135 -29.718 -9.744 1.00 6.68 C ATOM 1988 C ASP A 131 8.652 -29.928 -9.683 1.00 6.59 C ATOM 1989 O ASP A 131 9.430 -29.004 -9.936 1.00 6.80 O ATOM 1990 CB ASP A 131 6.591 -30.154 -11.111 1.00 7.70 C ATOM 1991 CG ASP A 131 6.348 -31.651 -11.198 1.00 7.98 C ATOM 1992 OD1 ASP A 131 7.280 -32.381 -11.596 1.00 8.18 O ATOM 1993 OD2 ASP A 131 5.226 -32.091 -10.869 1.00 8.25 O ATOM 0 H ASP A 131 6.218 -27.896 -10.225 1.00 6.58 H new ATOM 0 HA ASP A 131 6.695 -30.337 -8.962 1.00 6.68 H new ATOM 0 HB2 ASP A 131 5.658 -29.627 -11.310 1.00 7.70 H new ATOM 0 HB3 ASP A 131 7.296 -29.859 -11.888 1.00 7.70 H new ATOM 1998 N GLY A 132 9.042 -31.161 -9.343 1.00 6.49 N ATOM 1999 CA GLY A 132 10.447 -31.510 -9.222 1.00 6.52 C ATOM 2000 C GLY A 132 10.895 -31.533 -7.774 1.00 5.87 C ATOM 2001 O GLY A 132 11.558 -32.480 -7.338 1.00 6.01 O ATOM 0 H GLY A 132 8.399 -31.928 -9.148 1.00 6.49 H new ATOM 0 HA2 GLY A 132 10.619 -32.488 -9.672 1.00 6.52 H new ATOM 0 HA3 GLY A 132 11.050 -30.792 -9.778 1.00 6.52 H new ATOM 2005 N ASP A 133 10.527 -30.481 -7.034 1.00 5.34 N ATOM 2006 CA ASP A 133 10.874 -30.351 -5.620 1.00 4.95 C ATOM 2007 C ASP A 133 9.614 -30.396 -4.806 1.00 4.57 C ATOM 2008 O ASP A 133 9.589 -30.880 -3.670 1.00 4.65 O ATOM 2009 CB ASP A 133 11.510 -29.002 -5.345 1.00 4.99 C ATOM 2010 CG ASP A 133 12.805 -28.770 -6.104 1.00 5.63 C ATOM 2011 OD1 ASP A 133 13.878 -29.118 -5.568 1.00 6.07 O ATOM 2012 OD2 ASP A 133 12.744 -28.240 -7.234 1.00 5.97 O ATOM 0 H ASP A 133 9.982 -29.700 -7.400 1.00 5.34 H new ATOM 0 HA ASP A 133 11.562 -31.157 -5.365 1.00 4.95 H new ATOM 0 HB2 ASP A 133 10.801 -28.216 -5.606 1.00 4.99 H new ATOM 0 HB3 ASP A 133 11.705 -28.914 -4.276 1.00 4.99 H new ATOM 2017 N GLY A 134 8.567 -29.871 -5.435 1.00 4.47 N ATOM 2018 CA GLY A 134 7.285 -29.783 -4.824 1.00 4.33 C ATOM 2019 C GLY A 134 7.075 -28.498 -4.023 1.00 3.73 C ATOM 2020 O GLY A 134 5.943 -28.169 -3.656 1.00 3.75 O ATOM 0 H GLY A 134 8.604 -29.499 -6.384 1.00 4.47 H new ATOM 0 HA2 GLY A 134 6.519 -29.849 -5.596 1.00 4.33 H new ATOM 0 HA3 GLY A 134 7.147 -30.639 -4.164 1.00 4.33 H new ATOM 2024 N GLN A 135 8.175 -27.783 -3.760 1.00 3.55 N ATOM 2025 CA GLN A 135 8.151 -26.521 -3.006 1.00 3.33 C ATOM 2026 C GLN A 135 8.629 -25.366 -3.909 1.00 3.69 C ATOM 2027 O GLN A 135 8.954 -25.589 -5.080 1.00 4.33 O ATOM 2028 CB GLN A 135 9.050 -26.615 -1.769 1.00 3.82 C ATOM 2029 CG GLN A 135 8.808 -27.837 -0.889 1.00 4.41 C ATOM 2030 CD GLN A 135 9.966 -28.115 0.051 1.00 5.26 C ATOM 2031 OE1 GLN A 135 9.938 -27.497 1.226 1.00 5.74 O flip ATOM 2032 NE2 GLN A 135 10.879 -28.872 -0.278 1.00 5.78 N flip ATOM 0 H GLN A 135 9.108 -28.062 -4.063 1.00 3.55 H new ATOM 0 HA GLN A 135 7.129 -26.330 -2.680 1.00 3.33 H new ATOM 0 HB2 GLN A 135 10.090 -26.620 -2.094 1.00 3.82 H new ATOM 0 HB3 GLN A 135 8.909 -25.718 -1.166 1.00 3.82 H new ATOM 0 HG2 GLN A 135 7.899 -27.687 -0.306 1.00 4.41 H new ATOM 0 HG3 GLN A 135 8.640 -28.709 -1.522 1.00 4.41 H new ATOM 0 HE21 GLN A 135 10.861 -29.326 -1.191 1.00 5.78 H new ATOM 0 HE22 GLN A 135 11.654 -29.045 0.362 1.00 5.78 H new ATOM 2041 N VAL A 136 8.669 -24.136 -3.365 1.00 3.59 N ATOM 2042 CA VAL A 136 9.123 -22.963 -4.112 1.00 4.23 C ATOM 2043 C VAL A 136 9.898 -21.999 -3.199 1.00 4.67 C ATOM 2044 O VAL A 136 10.107 -22.280 -2.024 1.00 4.74 O ATOM 2045 CB VAL A 136 7.944 -22.262 -4.872 1.00 4.02 C ATOM 2046 CG1 VAL A 136 6.909 -21.658 -3.928 1.00 3.51 C ATOM 2047 CG2 VAL A 136 8.435 -21.222 -5.884 1.00 5.08 C ATOM 0 H VAL A 136 8.389 -23.935 -2.405 1.00 3.59 H new ATOM 0 HA VAL A 136 9.816 -23.301 -4.882 1.00 4.23 H new ATOM 0 HB VAL A 136 7.447 -23.055 -5.431 1.00 4.02 H new ATOM 0 HG11 VAL A 136 6.117 -21.187 -4.510 1.00 3.51 H new ATOM 0 HG12 VAL A 136 6.483 -22.444 -3.305 1.00 3.51 H new ATOM 0 HG13 VAL A 136 7.387 -20.911 -3.294 1.00 3.51 H new ATOM 0 HG21 VAL A 136 7.579 -20.767 -6.382 1.00 5.08 H new ATOM 0 HG22 VAL A 136 9.005 -20.451 -5.366 1.00 5.08 H new ATOM 0 HG23 VAL A 136 9.070 -21.707 -6.625 1.00 5.08 H new ATOM 2057 N ASN A 137 10.310 -20.869 -3.760 1.00 5.28 N ATOM 2058 CA ASN A 137 11.086 -19.875 -3.013 1.00 5.95 C ATOM 2059 C ASN A 137 10.254 -18.628 -2.684 1.00 5.49 C ATOM 2060 O ASN A 137 9.044 -18.580 -2.926 1.00 4.60 O ATOM 2061 CB ASN A 137 12.377 -19.481 -3.765 1.00 7.18 C ATOM 2062 CG ASN A 137 13.163 -20.671 -4.294 1.00 7.90 C ATOM 2063 OD1 ASN A 137 14.138 -21.107 -3.683 1.00 8.11 O ATOM 2064 ND2 ASN A 137 12.737 -21.202 -5.434 1.00 8.51 N ATOM 0 H ASN A 137 10.122 -20.614 -4.730 1.00 5.28 H new ATOM 0 HA ASN A 137 11.370 -20.344 -2.071 1.00 5.95 H new ATOM 0 HB2 ASN A 137 12.117 -18.829 -4.599 1.00 7.18 H new ATOM 0 HB3 ASN A 137 13.015 -18.904 -3.096 1.00 7.18 H new ATOM 0 HD21 ASN A 137 13.223 -22.003 -5.836 1.00 8.51 H new ATOM 0 HD22 ASN A 137 11.924 -20.808 -5.907 1.00 8.51 H new ATOM 2071 N TYR A 138 10.944 -17.634 -2.130 1.00 6.22 N ATOM 2072 CA TYR A 138 10.369 -16.359 -1.699 1.00 6.03 C ATOM 2073 C TYR A 138 10.616 -15.267 -2.742 1.00 6.55 C ATOM 2074 O TYR A 138 9.765 -14.407 -2.977 1.00 6.13 O ATOM 2075 CB TYR A 138 10.990 -15.946 -0.345 1.00 6.78 C ATOM 2076 CG TYR A 138 12.453 -16.320 -0.242 1.00 7.93 C ATOM 2077 CD1 TYR A 138 13.440 -15.370 -0.051 1.00 8.62 C ATOM 2078 CD2 TYR A 138 12.837 -17.640 -0.400 1.00 8.50 C ATOM 2079 CE1 TYR A 138 14.769 -15.735 -0.023 1.00 9.65 C ATOM 2080 CE2 TYR A 138 14.136 -18.013 -0.374 1.00 9.54 C ATOM 2081 CZ TYR A 138 15.117 -17.063 -0.188 1.00 10.06 C ATOM 2082 OH TYR A 138 16.441 -17.436 -0.161 1.00 11.13 O ATOM 0 H TYR A 138 11.948 -17.694 -1.963 1.00 6.22 H new ATOM 0 HA TYR A 138 9.292 -16.483 -1.586 1.00 6.03 H new ATOM 0 HB2 TYR A 138 10.883 -14.869 -0.213 1.00 6.78 H new ATOM 0 HB3 TYR A 138 10.438 -16.423 0.465 1.00 6.78 H new ATOM 0 HD1 TYR A 138 13.167 -14.333 0.077 1.00 8.62 H new ATOM 0 HD2 TYR A 138 12.078 -18.393 -0.548 1.00 8.50 H new ATOM 0 HE1 TYR A 138 15.534 -14.988 0.127 1.00 9.65 H new ATOM 0 HE2 TYR A 138 14.404 -19.052 -0.499 1.00 9.54 H new ATOM 0 HH TYR A 138 16.511 -18.405 -0.291 1.00 11.13 H new ATOM 2092 N GLU A 139 11.802 -15.327 -3.362 1.00 7.59 N ATOM 2093 CA GLU A 139 12.230 -14.365 -4.389 1.00 8.39 C ATOM 2094 C GLU A 139 11.504 -14.580 -5.716 1.00 8.26 C ATOM 2095 O GLU A 139 11.462 -13.685 -6.557 1.00 8.61 O ATOM 2096 CB GLU A 139 13.727 -14.511 -4.633 1.00 9.64 C ATOM 2097 CG GLU A 139 14.600 -14.022 -3.485 1.00 10.21 C ATOM 2098 CD GLU A 139 16.080 -14.189 -3.767 1.00 11.39 C ATOM 2099 OE1 GLU A 139 16.687 -13.254 -4.330 1.00 11.90 O ATOM 2100 OE2 GLU A 139 16.633 -15.255 -3.423 1.00 11.94 O ATOM 0 H GLU A 139 12.496 -16.048 -3.165 1.00 7.59 H new ATOM 0 HA GLU A 139 11.988 -13.369 -4.019 1.00 8.39 H new ATOM 0 HB2 GLU A 139 13.952 -15.561 -4.823 1.00 9.64 H new ATOM 0 HB3 GLU A 139 13.992 -13.960 -5.535 1.00 9.64 H new ATOM 0 HG2 GLU A 139 14.387 -12.970 -3.293 1.00 10.21 H new ATOM 0 HG3 GLU A 139 14.342 -14.570 -2.579 1.00 10.21 H new ATOM 2107 N GLU A 140 11.008 -15.798 -5.912 1.00 7.94 N ATOM 2108 CA GLU A 140 10.276 -16.158 -7.129 1.00 8.10 C ATOM 2109 C GLU A 140 8.752 -16.048 -6.970 1.00 7.13 C ATOM 2110 O GLU A 140 8.067 -15.621 -7.905 1.00 7.54 O ATOM 2111 CB GLU A 140 10.643 -17.580 -7.565 1.00 8.42 C ATOM 2112 CG GLU A 140 12.022 -17.692 -8.199 1.00 9.47 C ATOM 2113 CD GLU A 140 12.346 -19.104 -8.646 1.00 9.95 C ATOM 2114 OE1 GLU A 140 11.990 -19.462 -9.789 1.00 10.29 O ATOM 2115 OE2 GLU A 140 12.956 -19.852 -7.853 1.00 10.17 O ATOM 0 H GLU A 140 11.099 -16.560 -5.240 1.00 7.94 H new ATOM 0 HA GLU A 140 10.573 -15.440 -7.893 1.00 8.10 H new ATOM 0 HB2 GLU A 140 10.598 -18.239 -6.698 1.00 8.42 H new ATOM 0 HB3 GLU A 140 9.897 -17.936 -8.275 1.00 8.42 H new ATOM 0 HG2 GLU A 140 12.079 -17.021 -9.056 1.00 9.47 H new ATOM 0 HG3 GLU A 140 12.775 -17.360 -7.484 1.00 9.47 H new ATOM 2122 N PHE A 141 8.225 -16.428 -5.792 1.00 5.98 N ATOM 2123 CA PHE A 141 6.781 -16.425 -5.549 1.00 5.06 C ATOM 2124 C PHE A 141 6.205 -15.087 -5.089 1.00 4.76 C ATOM 2125 O PHE A 141 5.393 -14.489 -5.801 1.00 5.06 O ATOM 2126 CB PHE A 141 6.406 -17.557 -4.584 1.00 3.97 C ATOM 2127 CG PHE A 141 5.186 -18.291 -5.019 1.00 3.73 C ATOM 2128 CD1 PHE A 141 3.942 -17.841 -4.637 1.00 3.83 C ATOM 2129 CD2 PHE A 141 5.285 -19.402 -5.843 1.00 4.10 C ATOM 2130 CE1 PHE A 141 2.807 -18.480 -5.070 1.00 4.24 C ATOM 2131 CE2 PHE A 141 4.145 -20.063 -6.272 1.00 4.47 C ATOM 2132 CZ PHE A 141 2.911 -19.588 -5.880 1.00 4.52 C ATOM 0 H PHE A 141 8.782 -16.740 -4.997 1.00 5.98 H new ATOM 0 HA PHE A 141 6.318 -16.598 -6.520 1.00 5.06 H new ATOM 0 HB2 PHE A 141 7.239 -18.256 -4.506 1.00 3.97 H new ATOM 0 HB3 PHE A 141 6.243 -17.144 -3.589 1.00 3.97 H new ATOM 0 HD1 PHE A 141 3.859 -16.979 -3.992 1.00 3.83 H new ATOM 0 HD2 PHE A 141 6.258 -19.755 -6.153 1.00 4.10 H new ATOM 0 HE1 PHE A 141 1.834 -18.114 -4.776 1.00 4.24 H new ATOM 0 HE2 PHE A 141 4.222 -20.936 -6.903 1.00 4.47 H new ATOM 0 HZ PHE A 141 2.015 -20.092 -6.213 1.00 4.52 H new ATOM 2142 N VAL A 142 6.614 -14.628 -3.909 1.00 4.40 N ATOM 2143 CA VAL A 142 6.137 -13.332 -3.342 1.00 4.15 C ATOM 2144 C VAL A 142 6.499 -12.197 -4.271 1.00 5.25 C ATOM 2145 O VAL A 142 5.808 -11.181 -4.333 1.00 5.25 O ATOM 2146 CB VAL A 142 6.720 -12.991 -1.953 1.00 4.09 C ATOM 2147 CG1 VAL A 142 5.662 -12.349 -1.071 1.00 3.37 C ATOM 2148 CG2 VAL A 142 7.298 -14.210 -1.289 1.00 3.96 C ATOM 0 H VAL A 142 7.276 -15.123 -3.312 1.00 4.40 H new ATOM 0 HA VAL A 142 5.059 -13.452 -3.232 1.00 4.15 H new ATOM 0 HB VAL A 142 7.530 -12.276 -2.097 1.00 4.09 H new ATOM 0 HG11 VAL A 142 6.093 -12.116 -0.097 1.00 3.37 H new ATOM 0 HG12 VAL A 142 5.306 -11.431 -1.539 1.00 3.37 H new ATOM 0 HG13 VAL A 142 4.827 -13.038 -0.943 1.00 3.37 H new ATOM 0 HG21 VAL A 142 7.700 -13.937 -0.313 1.00 3.96 H new ATOM 0 HG22 VAL A 142 6.517 -14.960 -1.162 1.00 3.96 H new ATOM 0 HG23 VAL A 142 8.096 -14.618 -1.909 1.00 3.96 H new ATOM 2158 N GLN A 143 7.620 -12.377 -4.962 1.00 6.26 N ATOM 2159 CA GLN A 143 8.075 -11.402 -5.960 1.00 7.42 C ATOM 2160 C GLN A 143 7.015 -11.211 -7.048 1.00 7.74 C ATOM 2161 O GLN A 143 6.979 -10.167 -7.706 1.00 8.48 O ATOM 2162 CB GLN A 143 9.405 -11.829 -6.584 1.00 8.47 C ATOM 2163 CG GLN A 143 10.298 -10.670 -7.022 1.00 9.24 C ATOM 2164 CD GLN A 143 11.059 -10.038 -5.868 1.00 10.23 C ATOM 2165 OE1 GLN A 143 10.578 -9.101 -5.231 1.00 10.70 O ATOM 2166 NE2 GLN A 143 12.255 -10.550 -5.597 1.00 10.74 N ATOM 0 H GLN A 143 8.232 -13.185 -4.853 1.00 6.26 H new ATOM 0 HA GLN A 143 8.230 -10.451 -5.451 1.00 7.42 H new ATOM 0 HB2 GLN A 143 9.950 -12.440 -5.865 1.00 8.47 H new ATOM 0 HB3 GLN A 143 9.201 -12.461 -7.448 1.00 8.47 H new ATOM 0 HG2 GLN A 143 11.009 -11.028 -7.766 1.00 9.24 H new ATOM 0 HG3 GLN A 143 9.685 -9.909 -7.506 1.00 9.24 H new ATOM 0 HE21 GLN A 143 12.615 -11.327 -6.151 1.00 10.74 H new ATOM 0 HE22 GLN A 143 12.813 -10.166 -4.835 1.00 10.74 H new ATOM 2175 N MET A 144 6.155 -12.232 -7.229 1.00 7.32 N ATOM 2176 CA MET A 144 5.067 -12.147 -8.197 1.00 7.88 C ATOM 2177 C MET A 144 3.872 -11.377 -7.652 1.00 7.37 C ATOM 2178 O MET A 144 2.883 -11.136 -8.353 1.00 8.01 O ATOM 2179 CB MET A 144 4.644 -13.523 -8.696 1.00 8.04 C ATOM 2180 CG MET A 144 5.557 -14.107 -9.765 1.00 9.33 C ATOM 2181 SD MET A 144 4.969 -15.697 -10.393 1.00 9.76 S ATOM 2182 CE MET A 144 3.643 -15.187 -11.491 1.00 9.64 C ATOM 0 H MET A 144 6.199 -13.114 -6.718 1.00 7.32 H new ATOM 0 HA MET A 144 5.455 -11.588 -9.048 1.00 7.88 H new ATOM 0 HB2 MET A 144 4.609 -14.209 -7.850 1.00 8.04 H new ATOM 0 HB3 MET A 144 3.632 -13.457 -9.095 1.00 8.04 H new ATOM 0 HG2 MET A 144 5.638 -13.402 -10.592 1.00 9.33 H new ATOM 0 HG3 MET A 144 6.558 -14.232 -9.353 1.00 9.33 H new ATOM 0 HE1 MET A 144 2.953 -16.018 -11.639 1.00 9.64 H new ATOM 0 HE2 MET A 144 3.108 -14.346 -11.050 1.00 9.64 H new ATOM 0 HE3 MET A 144 4.061 -14.887 -12.452 1.00 9.64 H new ATOM 2192 N MET A 145 4.000 -10.999 -6.397 1.00 6.37 N ATOM 2193 CA MET A 145 2.997 -10.190 -5.700 1.00 5.88 C ATOM 2194 C MET A 145 3.297 -8.722 -5.956 1.00 6.25 C ATOM 2195 O MET A 145 2.405 -7.868 -5.955 1.00 6.33 O ATOM 2196 CB MET A 145 2.998 -10.441 -4.191 1.00 4.66 C ATOM 2197 CG MET A 145 2.386 -11.765 -3.766 1.00 3.68 C ATOM 2198 SD MET A 145 2.064 -11.832 -1.993 1.00 3.52 S ATOM 2199 CE MET A 145 0.604 -10.794 -1.860 1.00 3.45 C ATOM 0 H MET A 145 4.805 -11.241 -5.820 1.00 6.37 H new ATOM 0 HA MET A 145 2.014 -10.468 -6.081 1.00 5.88 H new ATOM 0 HB2 MET A 145 4.026 -10.399 -3.830 1.00 4.66 H new ATOM 0 HB3 MET A 145 2.455 -9.632 -3.702 1.00 4.66 H new ATOM 0 HG2 MET A 145 1.454 -11.923 -4.309 1.00 3.68 H new ATOM 0 HG3 MET A 145 3.057 -12.578 -4.042 1.00 3.68 H new ATOM 0 HE1 MET A 145 -0.008 -11.132 -1.024 1.00 3.45 H new ATOM 0 HE2 MET A 145 0.907 -9.760 -1.693 1.00 3.45 H new ATOM 0 HE3 MET A 145 0.026 -10.859 -2.782 1.00 3.45 H new ATOM 2209 N THR A 146 4.587 -8.469 -6.177 1.00 6.65 N ATOM 2210 CA THR A 146 5.111 -7.142 -6.477 1.00 7.20 C ATOM 2211 C THR A 146 5.002 -6.878 -7.988 1.00 8.45 C ATOM 2212 O THR A 146 4.946 -5.723 -8.420 1.00 8.99 O ATOM 2213 CB THR A 146 6.588 -7.012 -6.015 1.00 7.31 C ATOM 2214 OG1 THR A 146 6.751 -7.616 -4.724 1.00 6.44 O ATOM 2215 CG2 THR A 146 7.031 -5.552 -5.936 1.00 7.72 C ATOM 0 H THR A 146 5.306 -9.193 -6.152 1.00 6.65 H new ATOM 0 HA THR A 146 4.522 -6.402 -5.935 1.00 7.20 H new ATOM 0 HB THR A 146 7.206 -7.521 -6.754 1.00 7.31 H new ATOM 0 HG1 THR A 146 7.685 -7.532 -4.439 1.00 6.44 H new ATOM 0 HG21 THR A 146 8.070 -5.504 -5.609 1.00 7.72 H new ATOM 0 HG22 THR A 146 6.938 -5.090 -6.919 1.00 7.72 H new ATOM 0 HG23 THR A 146 6.402 -5.019 -5.223 1.00 7.72 H new ATOM 2223 N ALA A 147 4.974 -7.970 -8.775 1.00 8.92 N ATOM 2224 CA ALA A 147 4.850 -7.886 -10.228 1.00 10.15 C ATOM 2225 C ALA A 147 3.394 -8.053 -10.668 1.00 10.43 C ATOM 2226 O ALA A 147 2.971 -7.458 -11.664 1.00 11.37 O ATOM 2227 CB ALA A 147 5.723 -8.938 -10.890 1.00 10.68 C ATOM 0 H ALA A 147 5.037 -8.923 -8.418 1.00 8.92 H new ATOM 0 HA ALA A 147 5.186 -6.897 -10.540 1.00 10.15 H new ATOM 0 HB1 ALA A 147 5.622 -8.866 -11.973 1.00 10.68 H new ATOM 0 HB2 ALA A 147 6.764 -8.775 -10.611 1.00 10.68 H new ATOM 0 HB3 ALA A 147 5.410 -9.929 -10.562 1.00 10.68 H new ATOM 2233 N LYS A 148 2.635 -8.869 -9.916 1.00 9.72 N ATOM 2234 CA LYS A 148 1.234 -9.124 -10.209 1.00 10.13 C ATOM 2235 C LYS A 148 0.384 -9.010 -8.945 1.00 9.70 C ATOM 2236 O LYS A 148 0.624 -9.785 -7.993 1.00 9.60 O ATOM 2237 CB LYS A 148 1.047 -10.510 -10.855 1.00 10.60 C ATOM 2238 CG LYS A 148 1.480 -10.589 -12.318 1.00 11.38 C ATOM 2239 CD LYS A 148 2.959 -10.934 -12.457 1.00 11.36 C ATOM 2240 CE LYS A 148 3.379 -11.048 -13.916 1.00 12.34 C ATOM 2241 NZ LYS A 148 2.862 -12.292 -14.556 1.00 12.59 N ATOM 2242 OXT LYS A 148 -0.515 -8.144 -8.917 1.00 9.69 O ATOM 0 H LYS A 148 2.983 -9.363 -9.094 1.00 9.72 H new ATOM 0 HA LYS A 148 0.901 -8.367 -10.919 1.00 10.13 H new ATOM 0 HB2 LYS A 148 1.613 -11.244 -10.281 1.00 10.60 H new ATOM 0 HB3 LYS A 148 -0.004 -10.791 -10.784 1.00 10.60 H new ATOM 0 HG2 LYS A 148 0.882 -11.341 -12.833 1.00 11.38 H new ATOM 0 HG3 LYS A 148 1.283 -9.635 -12.807 1.00 11.38 H new ATOM 0 HD2 LYS A 148 3.559 -10.168 -11.965 1.00 11.36 H new ATOM 0 HD3 LYS A 148 3.162 -11.875 -11.946 1.00 11.36 H new ATOM 0 HE2 LYS A 148 3.015 -10.180 -14.466 1.00 12.34 H new ATOM 0 HE3 LYS A 148 4.467 -11.033 -13.981 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 3.187 -12.335 -15.543 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 3.216 -13.122 -14.038 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 1.822 -12.288 -14.534 1.00 12.59 H new TER 2256 LYS A 148