USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1070 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 146 SER OG : rot 76:sc= 1.09 USER MOD Set 1.2: A 147 GLN :FLIP amide:sc= 0.989 F(o=1.2,f=2.1) USER MOD Set 2.1: A 41 GLN : amide:sc= -3.2 K(o=-4.4,f=-9!) USER MOD Set 2.2: A 72 MET CE :methyl -124:sc= -1.16 (180deg=-2.38) USER MOD Set 3.1: A 24 THR OG1 : rot -120:sc= -0.114 USER MOD Set 3.2: A 62 GLN :FLIP amide:sc= -2.14 F(o=-10!,f=-2.3) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 8 GLN :FLIP amide:sc= 0.0844 F(o=-2.7!,f=0.084) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= -0.0278 (180deg=-0.197) USER MOD Single : A 18 GLN : amide:sc= -1.43! C(o=-1.4!,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.0247 (180deg=-0.282) USER MOD Single : A 26 LYS NZ :NH3+ -110:sc= -0.23 (180deg=-2.7!) USER MOD Single : A 29 THR OG1 : rot -170:sc= 0.264 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -165:sc= -0.0239 (180deg=-0.308) USER MOD Single : A 38 THR OG1 : rot -8:sc= 0.447! USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 57 ASN : amide:sc= -0.535 X(o=-0.54,f=-0.19) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.255 F(o=-3!,f=-0.25) USER MOD Single : A 59 ASN : amide:sc=-0.00852 X(o=-0.0085,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.152 F(o=-1,f=-0.15) USER MOD Single : A 64 ASN : amide:sc= -3.47! C(o=-3.5!,f=-10!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00417 USER MOD Single : A 69 CYS SG : rot 71:sc= 0.349 USER MOD Single : A 74 LYS NZ :NH3+ -151:sc= -1.15 (180deg=-2.74!) USER MOD Single : A 75 GLN :FLIP amide:sc= -1.7 F(o=-3.1!,f=-1.7) USER MOD Single : A 76 MET CE :methyl -178:sc= -0.983 (180deg=-1.09) USER MOD Single : A 81 THR OG1 : rot 150:sc= -0.145 USER MOD Single : A 85 MET CE :methyl 168:sc= -1.64 (180deg=-2.36) USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0578) USER MOD Single : A 101 SER OG : rot -72:sc= 0.0642 USER MOD Single : A 109 MET CE :methyl 167:sc= -2.8 (180deg=-3.29) USER MOD Single : A 111 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.3) USER MOD Single : A 115 LYS NZ :NH3+ 160:sc= 0.615 (180deg=0.412) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.057 USER MOD Single : A 124 MET CE :methyl 144:sc= -1.34 (180deg=-2.77) USER MOD Single : A 135 MET CE :methyl -109:sc= -0.395 (180deg=-2.14) USER MOD Single : A 137 ASN : amide:sc= -1.59 K(o=-1.6,f=-11!) USER MOD Single : A 138 TYR OH : rot 180:sc=-0.00598 USER MOD Single : A 144 MET CE :methyl -162:sc= -4.24! (180deg=-4.48!) USER MOD Single : A 148 LYS NZ :NH3+ -113:sc= -1.12 (180deg=-3.46!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 4 -0.734 7.838 2.669 1.00 0.73 N ATOM 28 CA LEU A 4 -1.919 8.191 3.443 1.00 0.45 C ATOM 29 C LEU A 4 -1.608 9.304 4.441 1.00 0.47 C ATOM 30 O LEU A 4 -1.005 9.064 5.488 1.00 0.58 O ATOM 31 CB LEU A 4 -2.451 6.962 4.189 1.00 0.41 C ATOM 32 CG LEU A 4 -3.279 5.963 3.363 1.00 0.50 C ATOM 33 CD1 LEU A 4 -2.716 5.785 1.959 1.00 1.27 C ATOM 34 CD2 LEU A 4 -3.333 4.623 4.077 1.00 1.19 C ATOM 0 HA LEU A 4 -2.680 8.549 2.750 1.00 0.45 H new ATOM 0 HB2 LEU A 4 -1.602 6.429 4.618 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -3.064 7.307 5.021 1.00 0.41 H new ATOM 0 HG LEU A 4 -4.287 6.367 3.265 1.00 0.50 H new ATOM 0 HD11 LEU A 4 -3.330 5.072 1.409 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -2.721 6.744 1.441 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -1.694 5.412 2.022 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -3.921 3.920 3.487 1.00 1.19 H new ATOM 0 HD22 LEU A 4 -2.322 4.236 4.201 1.00 1.19 H new ATOM 0 HD23 LEU A 4 -3.795 4.751 5.056 1.00 1.19 H new ATOM 46 N THR A 5 -2.022 10.521 4.105 1.00 0.47 N ATOM 47 CA THR A 5 -1.795 11.675 4.966 1.00 0.54 C ATOM 48 C THR A 5 -2.962 11.863 5.928 1.00 0.51 C ATOM 49 O THR A 5 -4.054 11.371 5.675 1.00 0.55 O ATOM 50 CB THR A 5 -1.608 12.959 4.135 1.00 0.62 C ATOM 51 OG1 THR A 5 -0.729 12.707 3.033 1.00 1.12 O ATOM 52 CG2 THR A 5 -1.042 14.084 4.989 1.00 0.99 C ATOM 0 H THR A 5 -2.518 10.734 3.240 1.00 0.47 H new ATOM 0 HA THR A 5 -0.884 11.487 5.534 1.00 0.54 H new ATOM 0 HB THR A 5 -2.585 13.264 3.761 1.00 0.62 H new ATOM 0 HG1 THR A 5 -0.617 13.528 2.509 1.00 1.12 H new ATOM 0 HG21 THR A 5 -0.920 14.978 4.378 1.00 0.99 H new ATOM 0 HG22 THR A 5 -1.726 14.296 5.811 1.00 0.99 H new ATOM 0 HG23 THR A 5 -0.074 13.784 5.391 1.00 0.99 H new ATOM 60 N GLU A 6 -2.727 12.570 7.029 1.00 0.60 N ATOM 61 CA GLU A 6 -3.771 12.807 8.025 1.00 0.62 C ATOM 62 C GLU A 6 -5.078 13.267 7.374 1.00 0.55 C ATOM 63 O GLU A 6 -6.161 12.804 7.740 1.00 0.53 O ATOM 64 CB GLU A 6 -3.302 13.849 9.042 1.00 0.75 C ATOM 65 CG GLU A 6 -2.101 13.402 9.862 1.00 1.46 C ATOM 66 CD GLU A 6 -1.685 14.429 10.898 1.00 1.74 C ATOM 67 OE1 GLU A 6 -2.230 14.394 12.021 1.00 2.00 O ATOM 68 OE2 GLU A 6 -0.813 15.267 10.586 1.00 2.20 O ATOM 0 H GLU A 6 -1.825 12.989 7.256 1.00 0.60 H new ATOM 0 HA GLU A 6 -3.963 11.862 8.534 1.00 0.62 H new ATOM 0 HB2 GLU A 6 -3.050 14.770 8.516 1.00 0.75 H new ATOM 0 HB3 GLU A 6 -4.126 14.082 9.717 1.00 0.75 H new ATOM 0 HG2 GLU A 6 -2.337 12.463 10.362 1.00 1.46 H new ATOM 0 HG3 GLU A 6 -1.263 13.206 9.194 1.00 1.46 H new ATOM 75 N GLU A 7 -4.969 14.167 6.402 1.00 0.58 N ATOM 76 CA GLU A 7 -6.138 14.696 5.708 1.00 0.58 C ATOM 77 C GLU A 7 -6.727 13.658 4.761 1.00 0.48 C ATOM 78 O GLU A 7 -7.945 13.505 4.665 1.00 0.46 O ATOM 79 CB GLU A 7 -5.763 15.960 4.929 1.00 0.69 C ATOM 80 CG GLU A 7 -4.778 15.713 3.796 1.00 0.69 C ATOM 81 CD GLU A 7 -4.422 16.981 3.045 1.00 1.02 C ATOM 82 OE1 GLU A 7 -5.221 17.406 2.185 1.00 1.19 O ATOM 83 OE2 GLU A 7 -3.342 17.548 3.317 1.00 1.35 O ATOM 0 H GLU A 7 -4.080 14.546 6.076 1.00 0.58 H new ATOM 0 HA GLU A 7 -6.891 14.946 6.455 1.00 0.58 H new ATOM 0 HB2 GLU A 7 -6.670 16.405 4.519 1.00 0.69 H new ATOM 0 HB3 GLU A 7 -5.334 16.687 5.619 1.00 0.69 H new ATOM 0 HG2 GLU A 7 -3.869 15.268 4.201 1.00 0.69 H new ATOM 0 HG3 GLU A 7 -5.204 14.991 3.100 1.00 0.69 H new ATOM 90 N GLN A 8 -5.850 12.948 4.064 1.00 0.44 N ATOM 91 CA GLN A 8 -6.268 11.923 3.119 1.00 0.37 C ATOM 92 C GLN A 8 -6.988 10.785 3.831 1.00 0.31 C ATOM 93 O GLN A 8 -7.991 10.267 3.339 1.00 0.29 O ATOM 94 CB GLN A 8 -5.050 11.388 2.368 1.00 0.40 C ATOM 95 CG GLN A 8 -4.349 12.446 1.529 1.00 0.48 C ATOM 96 CD GLN A 8 -3.301 11.867 0.596 1.00 1.35 C ATOM 97 OE1 GLN A 8 -2.679 10.764 1.002 1.00 2.22 O flip ATOM 98 NE2 GLN A 8 -3.049 12.408 -0.481 1.00 1.68 N flip ATOM 0 H GLN A 8 -4.839 13.065 4.137 1.00 0.44 H new ATOM 0 HA GLN A 8 -6.963 12.370 2.408 1.00 0.37 H new ATOM 0 HB2 GLN A 8 -4.341 10.975 3.086 1.00 0.40 H new ATOM 0 HB3 GLN A 8 -5.362 10.568 1.721 1.00 0.40 H new ATOM 0 HG2 GLN A 8 -5.091 12.986 0.941 1.00 0.48 H new ATOM 0 HG3 GLN A 8 -3.877 13.172 2.191 1.00 0.48 H new ATOM 0 HE21 GLN A 8 -3.549 13.254 -0.756 1.00 1.68 H new ATOM 0 HE22 GLN A 8 -2.341 12.011 -1.098 1.00 1.68 H new ATOM 107 N ILE A 9 -6.475 10.407 4.997 1.00 0.33 N ATOM 108 CA ILE A 9 -7.067 9.334 5.781 1.00 0.33 C ATOM 109 C ILE A 9 -8.482 9.693 6.196 1.00 0.34 C ATOM 110 O ILE A 9 -9.412 8.921 5.991 1.00 0.36 O ATOM 111 CB ILE A 9 -6.229 9.015 7.036 1.00 0.42 C ATOM 112 CG1 ILE A 9 -4.849 8.493 6.627 1.00 0.44 C ATOM 113 CG2 ILE A 9 -6.949 8.000 7.915 1.00 0.51 C ATOM 114 CD1 ILE A 9 -3.908 8.274 7.794 1.00 0.54 C ATOM 0 H ILE A 9 -5.648 10.830 5.419 1.00 0.33 H new ATOM 0 HA ILE A 9 -7.088 8.447 5.147 1.00 0.33 H new ATOM 0 HB ILE A 9 -6.098 9.931 7.613 1.00 0.42 H new ATOM 0 HG12 ILE A 9 -4.971 7.553 6.089 1.00 0.44 H new ATOM 0 HG13 ILE A 9 -4.394 9.200 5.933 1.00 0.44 H new ATOM 0 HG21 ILE A 9 -6.343 7.787 8.796 1.00 0.51 H new ATOM 0 HG22 ILE A 9 -7.911 8.406 8.226 1.00 0.51 H new ATOM 0 HG23 ILE A 9 -7.108 7.080 7.353 1.00 0.51 H new ATOM 0 HD11 ILE A 9 -2.951 7.904 7.425 1.00 0.54 H new ATOM 0 HD12 ILE A 9 -3.755 9.217 8.319 1.00 0.54 H new ATOM 0 HD13 ILE A 9 -4.340 7.544 8.478 1.00 0.54 H new ATOM 126 N ALA A 10 -8.636 10.877 6.772 1.00 0.36 N ATOM 127 CA ALA A 10 -9.938 11.347 7.219 1.00 0.40 C ATOM 128 C ALA A 10 -10.909 11.490 6.050 1.00 0.35 C ATOM 129 O ALA A 10 -12.126 11.414 6.229 1.00 0.36 O ATOM 130 CB ALA A 10 -9.784 12.675 7.946 1.00 0.50 C ATOM 0 H ALA A 10 -7.872 11.531 6.941 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.352 10.607 7.904 1.00 0.40 H new ATOM 0 HB1 ALA A 10 -10.762 13.023 8.279 1.00 0.50 H new ATOM 0 HB2 ALA A 10 -9.132 12.544 8.810 1.00 0.50 H new ATOM 0 HB3 ALA A 10 -9.347 13.411 7.271 1.00 0.50 H new ATOM 136 N GLU A 11 -10.366 11.683 4.850 1.00 0.33 N ATOM 137 CA GLU A 11 -11.192 11.855 3.658 1.00 0.33 C ATOM 138 C GLU A 11 -11.898 10.558 3.260 1.00 0.27 C ATOM 139 O GLU A 11 -13.126 10.522 3.157 1.00 0.28 O ATOM 140 CB GLU A 11 -10.339 12.360 2.493 1.00 0.37 C ATOM 141 CG GLU A 11 -11.131 12.588 1.214 1.00 0.41 C ATOM 142 CD GLU A 11 -10.266 13.099 0.079 1.00 1.27 C ATOM 143 OE1 GLU A 11 -9.711 12.265 -0.666 1.00 2.27 O ATOM 144 OE2 GLU A 11 -10.145 14.334 -0.067 1.00 1.19 O ATOM 0 H GLU A 11 -9.361 11.724 4.678 1.00 0.33 H new ATOM 0 HA GLU A 11 -11.959 12.592 3.896 1.00 0.33 H new ATOM 0 HB2 GLU A 11 -9.857 13.294 2.784 1.00 0.37 H new ATOM 0 HB3 GLU A 11 -9.545 11.640 2.296 1.00 0.37 H new ATOM 0 HG2 GLU A 11 -11.605 11.654 0.913 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -11.930 13.303 1.408 1.00 0.41 H new ATOM 151 N PHE A 12 -11.130 9.491 3.043 1.00 0.23 N ATOM 152 CA PHE A 12 -11.722 8.218 2.650 1.00 0.22 C ATOM 153 C PHE A 12 -12.323 7.501 3.852 1.00 0.19 C ATOM 154 O PHE A 12 -13.269 6.727 3.711 1.00 0.20 O ATOM 155 CB PHE A 12 -10.707 7.323 1.925 1.00 0.26 C ATOM 156 CG PHE A 12 -9.502 6.930 2.738 1.00 0.25 C ATOM 157 CD1 PHE A 12 -9.612 6.031 3.787 1.00 0.31 C ATOM 158 CD2 PHE A 12 -8.253 7.445 2.432 1.00 0.27 C ATOM 159 CE1 PHE A 12 -8.502 5.658 4.517 1.00 0.37 C ATOM 160 CE2 PHE A 12 -7.140 7.076 3.160 1.00 0.30 C ATOM 161 CZ PHE A 12 -7.265 6.181 4.205 1.00 0.35 C ATOM 0 H PHE A 12 -10.114 9.483 3.131 1.00 0.23 H new ATOM 0 HA PHE A 12 -12.527 8.434 1.948 1.00 0.22 H new ATOM 0 HB2 PHE A 12 -11.215 6.416 1.597 1.00 0.26 H new ATOM 0 HB3 PHE A 12 -10.367 7.840 1.028 1.00 0.26 H new ATOM 0 HD1 PHE A 12 -10.578 5.617 4.036 1.00 0.31 H new ATOM 0 HD2 PHE A 12 -8.149 8.143 1.615 1.00 0.27 H new ATOM 0 HE1 PHE A 12 -8.602 4.957 5.332 1.00 0.37 H new ATOM 0 HE2 PHE A 12 -6.172 7.487 2.913 1.00 0.30 H new ATOM 0 HZ PHE A 12 -6.395 5.892 4.776 1.00 0.35 H new ATOM 171 N LYS A 13 -11.770 7.758 5.034 1.00 0.19 N ATOM 172 CA LYS A 13 -12.283 7.150 6.254 1.00 0.22 C ATOM 173 C LYS A 13 -13.714 7.612 6.478 1.00 0.21 C ATOM 174 O LYS A 13 -14.560 6.857 6.960 1.00 0.23 O ATOM 175 CB LYS A 13 -11.399 7.507 7.454 1.00 0.28 C ATOM 176 CG LYS A 13 -12.035 7.209 8.805 1.00 0.32 C ATOM 177 CD LYS A 13 -12.315 5.723 8.977 1.00 0.33 C ATOM 178 CE LYS A 13 -12.932 5.425 10.333 1.00 0.48 C ATOM 179 NZ LYS A 13 -12.022 5.791 11.451 1.00 1.23 N ATOM 0 H LYS A 13 -10.972 8.379 5.171 1.00 0.19 H new ATOM 0 HA LYS A 13 -12.269 6.065 6.149 1.00 0.22 H new ATOM 0 HB2 LYS A 13 -10.461 6.957 7.377 1.00 0.28 H new ATOM 0 HB3 LYS A 13 -11.152 8.568 7.407 1.00 0.28 H new ATOM 0 HG2 LYS A 13 -11.374 7.550 9.602 1.00 0.32 H new ATOM 0 HG3 LYS A 13 -12.965 7.769 8.901 1.00 0.32 H new ATOM 0 HD2 LYS A 13 -12.987 5.385 8.188 1.00 0.33 H new ATOM 0 HD3 LYS A 13 -11.387 5.162 8.867 1.00 0.33 H new ATOM 0 HE2 LYS A 13 -13.869 5.973 10.434 1.00 0.48 H new ATOM 0 HE3 LYS A 13 -13.175 4.364 10.396 1.00 0.48 H new ATOM 0 HZ1 LYS A 13 -12.376 5.377 12.337 1.00 1.23 H new ATOM 0 HZ2 LYS A 13 -11.068 5.426 11.256 1.00 1.23 H new ATOM 0 HZ3 LYS A 13 -11.985 6.826 11.543 1.00 1.23 H new ATOM 193 N ASP A 14 -13.979 8.866 6.118 1.00 0.23 N ATOM 194 CA ASP A 14 -15.313 9.428 6.242 1.00 0.25 C ATOM 195 C ASP A 14 -16.233 8.763 5.225 1.00 0.22 C ATOM 196 O ASP A 14 -17.316 8.286 5.563 1.00 0.23 O ATOM 197 CB ASP A 14 -15.282 10.942 6.014 1.00 0.31 C ATOM 198 CG ASP A 14 -16.632 11.590 6.253 1.00 0.37 C ATOM 199 OD1 ASP A 14 -17.049 11.677 7.426 1.00 0.44 O ATOM 200 OD2 ASP A 14 -17.269 12.014 5.265 1.00 0.41 O ATOM 0 H ASP A 14 -13.284 9.509 5.738 1.00 0.23 H new ATOM 0 HA ASP A 14 -15.687 9.243 7.249 1.00 0.25 H new ATOM 0 HB2 ASP A 14 -14.544 11.392 6.678 1.00 0.31 H new ATOM 0 HB3 ASP A 14 -14.959 11.146 4.993 1.00 0.31 H new ATOM 205 N ALA A 15 -15.780 8.727 3.975 1.00 0.22 N ATOM 206 CA ALA A 15 -16.544 8.104 2.901 1.00 0.24 C ATOM 207 C ALA A 15 -16.760 6.622 3.187 1.00 0.22 C ATOM 208 O ALA A 15 -17.639 5.987 2.605 1.00 0.29 O ATOM 209 CB ALA A 15 -15.826 8.286 1.571 1.00 0.27 C ATOM 0 H ALA A 15 -14.887 9.123 3.682 1.00 0.22 H new ATOM 0 HA ALA A 15 -17.518 8.589 2.843 1.00 0.24 H new ATOM 0 HB1 ALA A 15 -16.406 7.816 0.777 1.00 0.27 H new ATOM 0 HB2 ALA A 15 -15.716 9.350 1.360 1.00 0.27 H new ATOM 0 HB3 ALA A 15 -14.841 7.822 1.623 1.00 0.27 H new ATOM 215 N PHE A 16 -15.957 6.081 4.099 1.00 0.20 N ATOM 216 CA PHE A 16 -16.043 4.672 4.465 1.00 0.22 C ATOM 217 C PHE A 16 -17.218 4.432 5.404 1.00 0.22 C ATOM 218 O PHE A 16 -18.011 3.514 5.198 1.00 0.25 O ATOM 219 CB PHE A 16 -14.736 4.219 5.123 1.00 0.26 C ATOM 220 CG PHE A 16 -14.820 2.871 5.783 1.00 0.31 C ATOM 221 CD1 PHE A 16 -14.747 1.709 5.031 1.00 0.38 C ATOM 222 CD2 PHE A 16 -14.972 2.767 7.156 1.00 0.37 C ATOM 223 CE1 PHE A 16 -14.824 0.469 5.637 1.00 0.46 C ATOM 224 CE2 PHE A 16 -15.051 1.531 7.768 1.00 0.45 C ATOM 225 CZ PHE A 16 -14.977 0.381 7.007 1.00 0.48 C ATOM 0 H PHE A 16 -15.236 6.601 4.600 1.00 0.20 H new ATOM 0 HA PHE A 16 -16.203 4.088 3.559 1.00 0.22 H new ATOM 0 HB2 PHE A 16 -13.950 4.194 4.368 1.00 0.26 H new ATOM 0 HB3 PHE A 16 -14.440 4.959 5.867 1.00 0.26 H new ATOM 0 HD1 PHE A 16 -14.629 1.773 3.959 1.00 0.38 H new ATOM 0 HD2 PHE A 16 -15.029 3.663 7.756 1.00 0.37 H new ATOM 0 HE1 PHE A 16 -14.765 -0.429 5.040 1.00 0.46 H new ATOM 0 HE2 PHE A 16 -15.170 1.464 8.839 1.00 0.45 H new ATOM 0 HZ PHE A 16 -15.039 -0.587 7.483 1.00 0.48 H new ATOM 235 N VAL A 17 -17.322 5.262 6.435 1.00 0.22 N ATOM 236 CA VAL A 17 -18.405 5.139 7.396 1.00 0.23 C ATOM 237 C VAL A 17 -19.730 5.546 6.763 1.00 0.23 C ATOM 238 O VAL A 17 -20.802 5.252 7.292 1.00 0.26 O ATOM 239 CB VAL A 17 -18.149 5.991 8.655 1.00 0.30 C ATOM 240 CG1 VAL A 17 -16.961 5.449 9.434 1.00 1.11 C ATOM 241 CG2 VAL A 17 -17.927 7.449 8.285 1.00 0.91 C ATOM 0 H VAL A 17 -16.671 6.024 6.624 1.00 0.22 H new ATOM 0 HA VAL A 17 -18.453 4.092 7.697 1.00 0.23 H new ATOM 0 HB VAL A 17 -19.033 5.933 9.291 1.00 0.30 H new ATOM 0 HG11 VAL A 17 -16.796 6.063 10.319 1.00 1.11 H new ATOM 0 HG12 VAL A 17 -17.163 4.422 9.738 1.00 1.11 H new ATOM 0 HG13 VAL A 17 -16.072 5.473 8.804 1.00 1.11 H new ATOM 0 HG21 VAL A 17 -17.748 8.031 9.189 1.00 0.91 H new ATOM 0 HG22 VAL A 17 -17.063 7.529 7.625 1.00 0.91 H new ATOM 0 HG23 VAL A 17 -18.810 7.833 7.775 1.00 0.91 H new ATOM 251 N GLN A 18 -19.642 6.229 5.625 1.00 0.24 N ATOM 252 CA GLN A 18 -20.829 6.671 4.901 1.00 0.29 C ATOM 253 C GLN A 18 -21.646 5.480 4.405 1.00 0.32 C ATOM 254 O GLN A 18 -22.870 5.463 4.525 1.00 0.43 O ATOM 255 CB GLN A 18 -20.432 7.544 3.711 1.00 0.33 C ATOM 256 CG GLN A 18 -20.006 8.951 4.095 1.00 0.34 C ATOM 257 CD GLN A 18 -19.639 9.797 2.893 1.00 1.09 C ATOM 258 OE1 GLN A 18 -20.177 9.612 1.801 1.00 1.54 O ATOM 259 NE2 GLN A 18 -18.716 10.732 3.087 1.00 1.60 N ATOM 0 H GLN A 18 -18.760 6.488 5.184 1.00 0.24 H new ATOM 0 HA GLN A 18 -21.441 7.252 5.591 1.00 0.29 H new ATOM 0 HB2 GLN A 18 -19.615 7.061 3.175 1.00 0.33 H new ATOM 0 HB3 GLN A 18 -21.274 7.605 3.021 1.00 0.33 H new ATOM 0 HG2 GLN A 18 -20.815 9.435 4.642 1.00 0.34 H new ATOM 0 HG3 GLN A 18 -19.152 8.897 4.771 1.00 0.34 H new ATOM 0 HE21 GLN A 18 -18.296 10.851 4.009 1.00 1.60 H new ATOM 0 HE22 GLN A 18 -18.427 11.331 2.314 1.00 1.60 H new ATOM 268 N PHE A 19 -20.957 4.488 3.845 1.00 0.28 N ATOM 269 CA PHE A 19 -21.621 3.300 3.317 1.00 0.33 C ATOM 270 C PHE A 19 -21.748 2.208 4.374 1.00 0.35 C ATOM 271 O PHE A 19 -21.729 1.019 4.054 1.00 0.64 O ATOM 272 CB PHE A 19 -20.859 2.767 2.102 1.00 0.36 C ATOM 273 CG PHE A 19 -20.931 3.673 0.906 1.00 0.37 C ATOM 274 CD1 PHE A 19 -20.093 4.772 0.802 1.00 0.41 C ATOM 275 CD2 PHE A 19 -21.838 3.428 -0.113 1.00 0.48 C ATOM 276 CE1 PHE A 19 -20.156 5.608 -0.295 1.00 0.44 C ATOM 277 CE2 PHE A 19 -21.906 4.261 -1.213 1.00 0.54 C ATOM 278 CZ PHE A 19 -21.064 5.352 -1.304 1.00 0.47 C ATOM 0 H PHE A 19 -19.942 4.484 3.746 1.00 0.28 H new ATOM 0 HA PHE A 19 -22.627 3.590 3.015 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.814 2.620 2.374 1.00 0.36 H new ATOM 0 HB3 PHE A 19 -21.259 1.790 1.832 1.00 0.36 H new ATOM 0 HD1 PHE A 19 -19.382 4.977 1.589 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -22.499 2.576 -0.046 1.00 0.48 H new ATOM 0 HE1 PHE A 19 -19.497 6.461 -0.364 1.00 0.44 H new ATOM 0 HE2 PHE A 19 -22.617 4.059 -2.001 1.00 0.54 H new ATOM 0 HZ PHE A 19 -21.115 6.004 -2.163 1.00 0.47 H new ATOM 288 N ASP A 20 -21.878 2.614 5.633 1.00 0.29 N ATOM 289 CA ASP A 20 -22.023 1.661 6.728 1.00 0.28 C ATOM 290 C ASP A 20 -23.356 1.868 7.440 1.00 0.37 C ATOM 291 O ASP A 20 -23.402 2.348 8.573 1.00 0.44 O ATOM 292 CB ASP A 20 -20.866 1.795 7.720 1.00 0.25 C ATOM 293 CG ASP A 20 -20.951 0.780 8.844 1.00 0.27 C ATOM 294 OD1 ASP A 20 -21.130 -0.422 8.547 1.00 0.29 O ATOM 295 OD2 ASP A 20 -20.837 1.185 10.020 1.00 0.33 O ATOM 0 H ASP A 20 -21.886 3.593 5.920 1.00 0.29 H new ATOM 0 HA ASP A 20 -22.002 0.655 6.309 1.00 0.28 H new ATOM 0 HB2 ASP A 20 -19.921 1.670 7.191 1.00 0.25 H new ATOM 0 HB3 ASP A 20 -20.866 2.801 8.141 1.00 0.25 H new ATOM 300 N LYS A 21 -24.439 1.503 6.761 1.00 0.47 N ATOM 301 CA LYS A 21 -25.779 1.648 7.314 1.00 0.59 C ATOM 302 C LYS A 21 -26.071 0.562 8.345 1.00 0.64 C ATOM 303 O LYS A 21 -26.994 0.688 9.149 1.00 0.83 O ATOM 304 CB LYS A 21 -26.817 1.596 6.194 1.00 0.68 C ATOM 305 CG LYS A 21 -26.725 2.769 5.233 1.00 1.02 C ATOM 306 CD LYS A 21 -27.261 4.047 5.857 1.00 1.14 C ATOM 307 CE LYS A 21 -27.240 5.201 4.868 1.00 1.67 C ATOM 308 NZ LYS A 21 -28.123 4.943 3.697 1.00 2.10 N ATOM 0 H LYS A 21 -24.413 1.103 5.823 1.00 0.47 H new ATOM 0 HA LYS A 21 -25.835 2.615 7.814 1.00 0.59 H new ATOM 0 HB2 LYS A 21 -26.693 0.668 5.636 1.00 0.68 H new ATOM 0 HB3 LYS A 21 -27.814 1.573 6.633 1.00 0.68 H new ATOM 0 HG2 LYS A 21 -25.687 2.916 4.936 1.00 1.02 H new ATOM 0 HG3 LYS A 21 -27.287 2.543 4.327 1.00 1.02 H new ATOM 0 HD2 LYS A 21 -28.281 3.883 6.205 1.00 1.14 H new ATOM 0 HD3 LYS A 21 -26.663 4.305 6.731 1.00 1.14 H new ATOM 0 HE2 LYS A 21 -27.559 6.115 5.369 1.00 1.67 H new ATOM 0 HE3 LYS A 21 -26.219 5.366 4.524 1.00 1.67 H new ATOM 0 HZ1 LYS A 21 -28.270 5.828 3.171 1.00 2.10 H new ATOM 0 HZ2 LYS A 21 -27.677 4.240 3.074 1.00 2.10 H new ATOM 0 HZ3 LYS A 21 -29.040 4.580 4.027 1.00 2.10 H new ATOM 322 N GLU A 22 -25.277 -0.504 8.316 1.00 0.58 N ATOM 323 CA GLU A 22 -25.452 -1.613 9.248 1.00 0.63 C ATOM 324 C GLU A 22 -24.773 -1.316 10.581 1.00 0.60 C ATOM 325 O GLU A 22 -24.971 -2.032 11.563 1.00 0.80 O ATOM 326 CB GLU A 22 -24.885 -2.903 8.651 1.00 0.62 C ATOM 327 CG GLU A 22 -25.563 -3.326 7.359 1.00 0.71 C ATOM 328 CD GLU A 22 -24.953 -4.583 6.768 1.00 0.98 C ATOM 329 OE1 GLU A 22 -25.389 -5.690 7.149 1.00 0.96 O ATOM 330 OE2 GLU A 22 -24.036 -4.460 5.929 1.00 1.80 O ATOM 0 H GLU A 22 -24.507 -0.623 7.658 1.00 0.58 H new ATOM 0 HA GLU A 22 -26.520 -1.741 9.425 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -23.819 -2.769 8.465 1.00 0.62 H new ATOM 0 HB3 GLU A 22 -24.983 -3.705 9.382 1.00 0.62 H new ATOM 0 HG2 GLU A 22 -26.623 -3.494 7.547 1.00 0.71 H new ATOM 0 HG3 GLU A 22 -25.493 -2.516 6.633 1.00 0.71 H new ATOM 337 N GLY A 23 -23.971 -0.255 10.606 1.00 0.45 N ATOM 338 CA GLY A 23 -23.274 0.124 11.823 1.00 0.46 C ATOM 339 C GLY A 23 -22.253 -0.908 12.256 1.00 0.39 C ATOM 340 O GLY A 23 -21.769 -0.874 13.388 1.00 0.45 O ATOM 0 H GLY A 23 -23.791 0.350 9.804 1.00 0.45 H new ATOM 0 HA2 GLY A 23 -22.775 1.081 11.668 1.00 0.46 H new ATOM 0 HA3 GLY A 23 -24.000 0.269 12.623 1.00 0.46 H new ATOM 344 N THR A 24 -21.924 -1.829 11.355 1.00 0.34 N ATOM 345 CA THR A 24 -20.954 -2.879 11.648 1.00 0.30 C ATOM 346 C THR A 24 -19.526 -2.387 11.432 1.00 0.28 C ATOM 347 O THR A 24 -18.584 -3.179 11.421 1.00 0.29 O ATOM 348 CB THR A 24 -21.195 -4.125 10.770 1.00 0.32 C ATOM 349 OG1 THR A 24 -21.281 -3.745 9.392 1.00 0.33 O ATOM 350 CG2 THR A 24 -22.474 -4.836 11.186 1.00 0.40 C ATOM 0 H THR A 24 -22.316 -1.869 10.414 1.00 0.34 H new ATOM 0 HA THR A 24 -21.086 -3.149 12.696 1.00 0.30 H new ATOM 0 HB THR A 24 -20.356 -4.807 10.905 1.00 0.32 H new ATOM 0 HG1 THR A 24 -22.157 -4.003 9.036 1.00 0.33 H new ATOM 0 HG21 THR A 24 -22.625 -5.712 10.555 1.00 0.40 H new ATOM 0 HG22 THR A 24 -22.394 -5.149 12.227 1.00 0.40 H new ATOM 0 HG23 THR A 24 -23.320 -4.158 11.075 1.00 0.40 H new ATOM 358 N GLY A 25 -19.371 -1.074 11.266 1.00 0.30 N ATOM 359 CA GLY A 25 -18.053 -0.505 11.040 1.00 0.32 C ATOM 360 C GLY A 25 -17.374 -1.131 9.840 1.00 0.28 C ATOM 361 O GLY A 25 -16.155 -1.049 9.686 1.00 0.33 O ATOM 0 H GLY A 25 -20.133 -0.396 11.284 1.00 0.30 H new ATOM 0 HA2 GLY A 25 -18.142 0.571 10.889 1.00 0.32 H new ATOM 0 HA3 GLY A 25 -17.436 -0.652 11.926 1.00 0.32 H new ATOM 365 N LYS A 26 -18.179 -1.760 8.991 1.00 0.22 N ATOM 366 CA LYS A 26 -17.683 -2.423 7.795 1.00 0.19 C ATOM 367 C LYS A 26 -18.569 -2.091 6.599 1.00 0.20 C ATOM 368 O LYS A 26 -19.743 -1.763 6.760 1.00 0.23 O ATOM 369 CB LYS A 26 -17.647 -3.936 8.029 1.00 0.20 C ATOM 370 CG LYS A 26 -16.708 -4.349 9.148 1.00 0.25 C ATOM 371 CD LYS A 26 -16.968 -5.776 9.610 1.00 0.62 C ATOM 372 CE LYS A 26 -16.643 -6.793 8.527 1.00 0.62 C ATOM 373 NZ LYS A 26 -17.097 -8.162 8.900 1.00 1.10 N ATOM 0 H LYS A 26 -19.190 -1.824 9.113 1.00 0.22 H new ATOM 0 HA LYS A 26 -16.674 -2.070 7.581 1.00 0.19 H new ATOM 0 HB2 LYS A 26 -18.653 -4.285 8.261 1.00 0.20 H new ATOM 0 HB3 LYS A 26 -17.343 -4.432 7.107 1.00 0.20 H new ATOM 0 HG2 LYS A 26 -15.676 -4.260 8.808 1.00 0.25 H new ATOM 0 HG3 LYS A 26 -16.826 -3.668 9.991 1.00 0.25 H new ATOM 0 HD2 LYS A 26 -16.368 -5.985 10.496 1.00 0.62 H new ATOM 0 HD3 LYS A 26 -18.013 -5.878 9.901 1.00 0.62 H new ATOM 0 HE2 LYS A 26 -17.119 -6.494 7.593 1.00 0.62 H new ATOM 0 HE3 LYS A 26 -15.568 -6.803 8.348 1.00 0.62 H new ATOM 0 HZ1 LYS A 26 -16.269 -8.762 9.093 1.00 1.10 H new ATOM 0 HZ2 LYS A 26 -17.693 -8.110 9.750 1.00 1.10 H new ATOM 0 HZ3 LYS A 26 -17.646 -8.571 8.117 1.00 1.10 H new ATOM 387 N ILE A 27 -18.005 -2.178 5.397 1.00 0.22 N ATOM 388 CA ILE A 27 -18.757 -1.879 4.182 1.00 0.26 C ATOM 389 C ILE A 27 -18.793 -3.081 3.243 1.00 0.24 C ATOM 390 O ILE A 27 -17.804 -3.800 3.099 1.00 0.25 O ATOM 391 CB ILE A 27 -18.155 -0.675 3.434 1.00 0.34 C ATOM 392 CG1 ILE A 27 -16.726 -0.990 2.987 1.00 0.40 C ATOM 393 CG2 ILE A 27 -18.183 0.563 4.319 1.00 0.33 C ATOM 394 CD1 ILE A 27 -16.096 0.102 2.154 1.00 0.50 C ATOM 0 H ILE A 27 -17.035 -2.452 5.239 1.00 0.22 H new ATOM 0 HA ILE A 27 -19.773 -1.636 4.492 1.00 0.26 H new ATOM 0 HB ILE A 27 -18.756 -0.475 2.547 1.00 0.34 H new ATOM 0 HG12 ILE A 27 -16.109 -1.164 3.869 1.00 0.40 H new ATOM 0 HG13 ILE A 27 -16.730 -1.916 2.413 1.00 0.40 H new ATOM 0 HG21 ILE A 27 -17.755 1.407 3.778 1.00 0.33 H new ATOM 0 HG22 ILE A 27 -19.213 0.792 4.592 1.00 0.33 H new ATOM 0 HG23 ILE A 27 -17.601 0.378 5.222 1.00 0.33 H new ATOM 0 HD11 ILE A 27 -15.084 -0.192 1.874 1.00 0.50 H new ATOM 0 HD12 ILE A 27 -16.690 0.261 1.254 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -16.059 1.025 2.732 1.00 0.50 H new ATOM 406 N ALA A 28 -19.943 -3.298 2.613 1.00 0.26 N ATOM 407 CA ALA A 28 -20.110 -4.408 1.682 1.00 0.26 C ATOM 408 C ALA A 28 -19.091 -4.319 0.553 1.00 0.23 C ATOM 409 O ALA A 28 -18.855 -3.244 0.002 1.00 0.25 O ATOM 410 CB ALA A 28 -21.523 -4.414 1.118 1.00 0.30 C ATOM 0 H ALA A 28 -20.774 -2.719 2.731 1.00 0.26 H new ATOM 0 HA ALA A 28 -19.944 -5.340 2.223 1.00 0.26 H new ATOM 0 HB1 ALA A 28 -21.634 -5.247 0.424 1.00 0.30 H new ATOM 0 HB2 ALA A 28 -22.239 -4.521 1.932 1.00 0.30 H new ATOM 0 HB3 ALA A 28 -21.709 -3.477 0.592 1.00 0.30 H new ATOM 416 N THR A 29 -18.487 -5.453 0.218 1.00 0.27 N ATOM 417 CA THR A 29 -17.495 -5.506 -0.848 1.00 0.30 C ATOM 418 C THR A 29 -18.124 -5.172 -2.197 1.00 0.29 C ATOM 419 O THR A 29 -17.426 -5.014 -3.199 1.00 0.39 O ATOM 420 CB THR A 29 -16.837 -6.895 -0.932 1.00 0.37 C ATOM 421 OG1 THR A 29 -15.917 -6.940 -2.029 1.00 1.03 O ATOM 422 CG2 THR A 29 -17.890 -7.979 -1.101 1.00 0.96 C ATOM 0 H THR A 29 -18.668 -6.349 0.670 1.00 0.27 H new ATOM 0 HA THR A 29 -16.732 -4.765 -0.610 1.00 0.30 H new ATOM 0 HB THR A 29 -16.297 -7.074 -0.002 1.00 0.37 H new ATOM 0 HG1 THR A 29 -15.622 -7.864 -2.171 1.00 1.03 H new ATOM 0 HG21 THR A 29 -17.404 -8.953 -1.158 1.00 0.96 H new ATOM 0 HG22 THR A 29 -18.569 -7.962 -0.249 1.00 0.96 H new ATOM 0 HG23 THR A 29 -18.453 -7.800 -2.017 1.00 0.96 H new ATOM 430 N ARG A 30 -19.450 -5.071 -2.214 1.00 0.25 N ATOM 431 CA ARG A 30 -20.184 -4.758 -3.434 1.00 0.29 C ATOM 432 C ARG A 30 -20.350 -3.251 -3.596 1.00 0.28 C ATOM 433 O ARG A 30 -20.756 -2.769 -4.654 1.00 0.44 O ATOM 434 CB ARG A 30 -21.556 -5.429 -3.399 1.00 0.35 C ATOM 435 CG ARG A 30 -21.498 -6.906 -3.051 1.00 0.43 C ATOM 436 CD ARG A 30 -22.836 -7.409 -2.532 1.00 0.83 C ATOM 437 NE ARG A 30 -22.812 -8.843 -2.261 1.00 1.56 N ATOM 438 CZ ARG A 30 -23.898 -9.611 -2.256 1.00 2.17 C ATOM 439 NH1 ARG A 30 -25.087 -9.086 -2.517 1.00 2.25 N ATOM 440 NH2 ARG A 30 -23.793 -10.906 -1.991 1.00 3.08 N ATOM 0 H ARG A 30 -20.040 -5.202 -1.392 1.00 0.25 H new ATOM 0 HA ARG A 30 -19.616 -5.135 -4.284 1.00 0.29 H new ATOM 0 HB2 ARG A 30 -22.184 -4.916 -2.670 1.00 0.35 H new ATOM 0 HB3 ARG A 30 -22.034 -5.311 -4.371 1.00 0.35 H new ATOM 0 HG2 ARG A 30 -21.211 -7.478 -3.933 1.00 0.43 H new ATOM 0 HG3 ARG A 30 -20.728 -7.074 -2.298 1.00 0.43 H new ATOM 0 HD2 ARG A 30 -23.096 -6.872 -1.620 1.00 0.83 H new ATOM 0 HD3 ARG A 30 -23.614 -7.191 -3.264 1.00 0.83 H new ATOM 0 HE ARG A 30 -21.912 -9.281 -2.064 1.00 1.56 H new ATOM 0 HH11 ARG A 30 -25.171 -8.090 -2.722 1.00 2.25 H new ATOM 0 HH12 ARG A 30 -25.918 -9.678 -2.512 1.00 2.25 H new ATOM 0 HH21 ARG A 30 -22.879 -11.313 -1.791 1.00 3.08 H new ATOM 0 HH22 ARG A 30 -24.626 -11.495 -1.987 1.00 3.08 H new ATOM 454 N GLU A 31 -20.030 -2.514 -2.537 1.00 0.22 N ATOM 455 CA GLU A 31 -20.144 -1.060 -2.549 1.00 0.23 C ATOM 456 C GLU A 31 -18.768 -0.407 -2.601 1.00 0.21 C ATOM 457 O GLU A 31 -18.658 0.816 -2.699 1.00 0.21 O ATOM 458 CB GLU A 31 -20.900 -0.578 -1.310 1.00 0.30 C ATOM 459 CG GLU A 31 -22.320 -1.111 -1.215 1.00 0.32 C ATOM 460 CD GLU A 31 -23.050 -0.605 0.014 1.00 1.30 C ATOM 461 OE1 GLU A 31 -22.944 -1.253 1.076 1.00 2.26 O ATOM 462 OE2 GLU A 31 -23.727 0.439 -0.087 1.00 1.40 O ATOM 0 H GLU A 31 -19.689 -2.901 -1.657 1.00 0.22 H new ATOM 0 HA GLU A 31 -20.698 -0.772 -3.442 1.00 0.23 H new ATOM 0 HB2 GLU A 31 -20.348 -0.878 -0.419 1.00 0.30 H new ATOM 0 HB3 GLU A 31 -20.930 0.512 -1.314 1.00 0.30 H new ATOM 0 HG2 GLU A 31 -22.874 -0.821 -2.108 1.00 0.32 H new ATOM 0 HG3 GLU A 31 -22.295 -2.201 -1.196 1.00 0.32 H new ATOM 469 N LEU A 32 -17.723 -1.226 -2.531 1.00 0.21 N ATOM 470 CA LEU A 32 -16.357 -0.718 -2.571 1.00 0.24 C ATOM 471 C LEU A 32 -16.126 0.079 -3.850 1.00 0.23 C ATOM 472 O LEU A 32 -15.650 1.212 -3.803 1.00 0.25 O ATOM 473 CB LEU A 32 -15.353 -1.874 -2.469 1.00 0.29 C ATOM 474 CG LEU A 32 -13.948 -1.497 -1.975 1.00 0.44 C ATOM 475 CD1 LEU A 32 -13.196 -0.697 -3.028 1.00 1.04 C ATOM 476 CD2 LEU A 32 -14.025 -0.718 -0.668 1.00 1.37 C ATOM 0 H LEU A 32 -17.796 -2.240 -2.447 1.00 0.21 H new ATOM 0 HA LEU A 32 -16.207 -0.055 -1.719 1.00 0.24 H new ATOM 0 HB2 LEU A 32 -15.763 -2.629 -1.798 1.00 0.29 H new ATOM 0 HB3 LEU A 32 -15.260 -2.338 -3.451 1.00 0.29 H new ATOM 0 HG LEU A 32 -13.399 -2.421 -1.793 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -12.205 -0.443 -2.653 1.00 1.04 H new ATOM 0 HD12 LEU A 32 -13.099 -1.292 -3.936 1.00 1.04 H new ATOM 0 HD13 LEU A 32 -13.745 0.218 -3.251 1.00 1.04 H new ATOM 0 HD21 LEU A 32 -13.018 -0.462 -0.337 1.00 1.37 H new ATOM 0 HD22 LEU A 32 -14.600 0.195 -0.822 1.00 1.37 H new ATOM 0 HD23 LEU A 32 -14.512 -1.329 0.092 1.00 1.37 H new ATOM 488 N GLY A 33 -16.469 -0.517 -4.991 1.00 0.25 N ATOM 489 CA GLY A 33 -16.299 0.165 -6.262 1.00 0.28 C ATOM 490 C GLY A 33 -16.970 1.522 -6.263 1.00 0.27 C ATOM 491 O GLY A 33 -16.409 2.502 -6.754 1.00 0.32 O ATOM 0 H GLY A 33 -16.860 -1.457 -5.057 1.00 0.25 H new ATOM 0 HA2 GLY A 33 -15.236 0.284 -6.472 1.00 0.28 H new ATOM 0 HA3 GLY A 33 -16.715 -0.447 -7.062 1.00 0.28 H new ATOM 495 N THR A 34 -18.177 1.575 -5.710 1.00 0.23 N ATOM 496 CA THR A 34 -18.926 2.820 -5.625 1.00 0.24 C ATOM 497 C THR A 34 -18.185 3.810 -4.737 1.00 0.22 C ATOM 498 O THR A 34 -18.182 5.016 -4.989 1.00 0.23 O ATOM 499 CB THR A 34 -20.334 2.584 -5.047 1.00 0.26 C ATOM 500 OG1 THR A 34 -21.063 1.679 -5.885 1.00 0.31 O ATOM 501 CG2 THR A 34 -21.100 3.891 -4.919 1.00 0.29 C ATOM 0 H THR A 34 -18.657 0.767 -5.313 1.00 0.23 H new ATOM 0 HA THR A 34 -19.024 3.222 -6.634 1.00 0.24 H new ATOM 0 HB THR A 34 -20.222 2.151 -4.053 1.00 0.26 H new ATOM 0 HG1 THR A 34 -21.956 1.533 -5.509 1.00 0.31 H new ATOM 0 HG21 THR A 34 -22.090 3.694 -4.508 1.00 0.29 H new ATOM 0 HG22 THR A 34 -20.560 4.566 -4.255 1.00 0.29 H new ATOM 0 HG23 THR A 34 -21.200 4.352 -5.902 1.00 0.29 H new ATOM 509 N LEU A 35 -17.552 3.278 -3.695 1.00 0.22 N ATOM 510 CA LEU A 35 -16.801 4.092 -2.753 1.00 0.24 C ATOM 511 C LEU A 35 -15.590 4.724 -3.430 1.00 0.25 C ATOM 512 O LEU A 35 -15.075 5.746 -2.976 1.00 0.29 O ATOM 513 CB LEU A 35 -16.357 3.243 -1.560 1.00 0.29 C ATOM 514 CG LEU A 35 -15.608 3.999 -0.461 1.00 0.42 C ATOM 515 CD1 LEU A 35 -16.430 5.178 0.034 1.00 1.24 C ATOM 516 CD2 LEU A 35 -15.274 3.063 0.689 1.00 1.16 C ATOM 0 H LEU A 35 -17.547 2.280 -3.484 1.00 0.22 H new ATOM 0 HA LEU A 35 -17.450 4.892 -2.396 1.00 0.24 H new ATOM 0 HB2 LEU A 35 -17.238 2.775 -1.120 1.00 0.29 H new ATOM 0 HB3 LEU A 35 -15.718 2.439 -1.925 1.00 0.29 H new ATOM 0 HG LEU A 35 -14.677 4.383 -0.879 1.00 0.42 H new ATOM 0 HD11 LEU A 35 -15.880 5.703 0.815 1.00 1.24 H new ATOM 0 HD12 LEU A 35 -16.623 5.860 -0.794 1.00 1.24 H new ATOM 0 HD13 LEU A 35 -17.377 4.818 0.436 1.00 1.24 H new ATOM 0 HD21 LEU A 35 -14.741 3.614 1.464 1.00 1.16 H new ATOM 0 HD22 LEU A 35 -16.195 2.653 1.104 1.00 1.16 H new ATOM 0 HD23 LEU A 35 -14.646 2.250 0.325 1.00 1.16 H new ATOM 528 N MET A 36 -15.128 4.101 -4.508 1.00 0.28 N ATOM 529 CA MET A 36 -13.984 4.616 -5.250 1.00 0.32 C ATOM 530 C MET A 36 -14.422 5.744 -6.175 1.00 0.30 C ATOM 531 O MET A 36 -13.708 6.728 -6.352 1.00 0.40 O ATOM 532 CB MET A 36 -13.323 3.501 -6.065 1.00 0.45 C ATOM 533 CG MET A 36 -13.040 2.243 -5.261 1.00 0.51 C ATOM 534 SD MET A 36 -11.971 2.545 -3.842 1.00 1.10 S ATOM 535 CE MET A 36 -10.446 3.005 -4.659 1.00 0.69 C ATOM 0 H MET A 36 -15.526 3.242 -4.886 1.00 0.28 H new ATOM 0 HA MET A 36 -13.258 5.003 -4.535 1.00 0.32 H new ATOM 0 HB2 MET A 36 -13.968 3.247 -6.906 1.00 0.45 H new ATOM 0 HB3 MET A 36 -12.387 3.873 -6.482 1.00 0.45 H new ATOM 0 HG2 MET A 36 -13.983 1.819 -4.916 1.00 0.51 H new ATOM 0 HG3 MET A 36 -12.574 1.500 -5.909 1.00 0.51 H new ATOM 0 HE1 MET A 36 -9.624 2.964 -3.945 1.00 0.69 H new ATOM 0 HE2 MET A 36 -10.250 2.314 -5.479 1.00 0.69 H new ATOM 0 HE3 MET A 36 -10.535 4.018 -5.052 1.00 0.69 H new ATOM 545 N ARG A 37 -15.607 5.589 -6.762 1.00 0.30 N ATOM 546 CA ARG A 37 -16.152 6.591 -7.670 1.00 0.34 C ATOM 547 C ARG A 37 -16.312 7.935 -6.967 1.00 0.33 C ATOM 548 O ARG A 37 -15.966 8.979 -7.519 1.00 0.43 O ATOM 549 CB ARG A 37 -17.504 6.129 -8.220 1.00 0.44 C ATOM 550 CG ARG A 37 -17.430 4.836 -9.010 1.00 0.64 C ATOM 551 CD ARG A 37 -18.816 4.343 -9.387 1.00 0.70 C ATOM 552 NE ARG A 37 -19.427 5.165 -10.429 1.00 1.40 N ATOM 553 CZ ARG A 37 -20.576 4.864 -11.028 1.00 1.73 C ATOM 554 NH1 ARG A 37 -21.235 3.762 -10.694 1.00 1.52 N ATOM 555 NH2 ARG A 37 -21.069 5.665 -11.965 1.00 2.69 N ATOM 0 H ARG A 37 -16.208 4.777 -6.623 1.00 0.30 H new ATOM 0 HA ARG A 37 -15.452 6.714 -8.496 1.00 0.34 H new ATOM 0 HB2 ARG A 37 -18.199 5.998 -7.390 1.00 0.44 H new ATOM 0 HB3 ARG A 37 -17.914 6.912 -8.858 1.00 0.44 H new ATOM 0 HG2 ARG A 37 -16.838 4.991 -9.912 1.00 0.64 H new ATOM 0 HG3 ARG A 37 -16.918 4.075 -8.420 1.00 0.64 H new ATOM 0 HD2 ARG A 37 -18.752 3.311 -9.731 1.00 0.70 H new ATOM 0 HD3 ARG A 37 -19.454 4.345 -8.503 1.00 0.70 H new ATOM 0 HE ARG A 37 -18.945 6.018 -10.713 1.00 1.40 H new ATOM 0 HH11 ARG A 37 -20.861 3.142 -9.976 1.00 1.52 H new ATOM 0 HH12 ARG A 37 -22.116 3.535 -11.156 1.00 1.52 H new ATOM 0 HH21 ARG A 37 -20.567 6.513 -12.227 1.00 2.69 H new ATOM 0 HH22 ARG A 37 -21.950 5.432 -12.423 1.00 2.69 H new ATOM 569 N THR A 38 -16.839 7.901 -5.747 1.00 0.31 N ATOM 570 CA THR A 38 -17.040 9.120 -4.970 1.00 0.39 C ATOM 571 C THR A 38 -15.710 9.791 -4.636 1.00 0.36 C ATOM 572 O THR A 38 -15.675 10.945 -4.209 1.00 0.43 O ATOM 573 CB THR A 38 -17.828 8.850 -3.672 1.00 0.50 C ATOM 574 OG1 THR A 38 -17.738 9.981 -2.798 1.00 1.06 O ATOM 575 CG2 THR A 38 -17.310 7.612 -2.962 1.00 0.61 C ATOM 0 H THR A 38 -17.134 7.046 -5.276 1.00 0.31 H new ATOM 0 HA THR A 38 -17.628 9.794 -5.593 1.00 0.39 H new ATOM 0 HB THR A 38 -18.870 8.680 -3.941 1.00 0.50 H new ATOM 0 HG1 THR A 38 -17.094 10.625 -3.161 1.00 1.06 H new ATOM 0 HG21 THR A 38 -17.885 7.448 -2.051 1.00 0.61 H new ATOM 0 HG22 THR A 38 -17.413 6.747 -3.617 1.00 0.61 H new ATOM 0 HG23 THR A 38 -16.259 7.751 -2.708 1.00 0.61 H new ATOM 583 N LEU A 39 -14.619 9.059 -4.836 1.00 0.30 N ATOM 584 CA LEU A 39 -13.282 9.579 -4.572 1.00 0.33 C ATOM 585 C LEU A 39 -12.495 9.709 -5.873 1.00 0.33 C ATOM 586 O LEU A 39 -12.790 9.037 -6.861 1.00 0.31 O ATOM 587 CB LEU A 39 -12.535 8.668 -3.592 1.00 0.38 C ATOM 588 CG LEU A 39 -12.747 8.991 -2.107 1.00 0.64 C ATOM 589 CD1 LEU A 39 -14.210 8.837 -1.718 1.00 1.26 C ATOM 590 CD2 LEU A 39 -11.869 8.101 -1.244 1.00 1.07 C ATOM 0 H LEU A 39 -14.635 8.099 -5.182 1.00 0.30 H new ATOM 0 HA LEU A 39 -13.381 10.567 -4.122 1.00 0.33 H new ATOM 0 HB2 LEU A 39 -12.844 7.638 -3.771 1.00 0.38 H new ATOM 0 HB3 LEU A 39 -11.469 8.723 -3.811 1.00 0.38 H new ATOM 0 HG LEU A 39 -12.463 10.030 -1.940 1.00 0.64 H new ATOM 0 HD11 LEU A 39 -14.332 9.072 -0.661 1.00 1.26 H new ATOM 0 HD12 LEU A 39 -14.818 9.518 -2.313 1.00 1.26 H new ATOM 0 HD13 LEU A 39 -14.529 7.811 -1.901 1.00 1.26 H new ATOM 0 HD21 LEU A 39 -12.029 8.341 -0.193 1.00 1.07 H new ATOM 0 HD22 LEU A 39 -12.125 7.056 -1.421 1.00 1.07 H new ATOM 0 HD23 LEU A 39 -10.822 8.266 -1.498 1.00 1.07 H new ATOM 602 N GLY A 40 -11.501 10.590 -5.867 1.00 0.42 N ATOM 603 CA GLY A 40 -10.692 10.820 -7.053 1.00 0.47 C ATOM 604 C GLY A 40 -9.995 9.574 -7.569 1.00 0.43 C ATOM 605 O GLY A 40 -9.359 9.612 -8.624 1.00 0.69 O ATOM 0 H GLY A 40 -11.239 11.153 -5.058 1.00 0.42 H new ATOM 0 HA2 GLY A 40 -11.327 11.223 -7.842 1.00 0.47 H new ATOM 0 HA3 GLY A 40 -9.942 11.578 -6.829 1.00 0.47 H new ATOM 609 N GLN A 41 -10.102 8.472 -6.834 1.00 0.44 N ATOM 610 CA GLN A 41 -9.473 7.222 -7.247 1.00 0.40 C ATOM 611 C GLN A 41 -10.403 6.414 -8.147 1.00 0.51 C ATOM 612 O GLN A 41 -11.573 6.209 -7.825 1.00 1.45 O ATOM 613 CB GLN A 41 -9.074 6.391 -6.025 1.00 0.48 C ATOM 614 CG GLN A 41 -7.805 6.877 -5.346 1.00 0.74 C ATOM 615 CD GLN A 41 -8.057 7.982 -4.338 1.00 1.06 C ATOM 616 OE1 GLN A 41 -9.010 8.750 -4.462 1.00 1.97 O ATOM 617 NE2 GLN A 41 -7.193 8.069 -3.334 1.00 1.30 N ATOM 0 H GLN A 41 -10.615 8.418 -5.954 1.00 0.44 H new ATOM 0 HA GLN A 41 -8.575 7.470 -7.813 1.00 0.40 H new ATOM 0 HB2 GLN A 41 -9.891 6.406 -5.303 1.00 0.48 H new ATOM 0 HB3 GLN A 41 -8.938 5.354 -6.330 1.00 0.48 H new ATOM 0 HG2 GLN A 41 -7.324 6.038 -4.844 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -7.109 7.236 -6.104 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -6.417 7.410 -3.271 1.00 1.30 H new ATOM 0 HE22 GLN A 41 -7.305 8.794 -2.626 1.00 1.30 H new ATOM 626 N ASN A 42 -9.872 5.958 -9.278 1.00 0.74 N ATOM 627 CA ASN A 42 -10.652 5.172 -10.229 1.00 0.68 C ATOM 628 C ASN A 42 -9.886 3.919 -10.654 1.00 0.53 C ATOM 629 O ASN A 42 -9.178 3.929 -11.662 1.00 0.62 O ATOM 630 CB ASN A 42 -10.992 6.015 -11.460 1.00 0.85 C ATOM 631 CG ASN A 42 -11.863 5.265 -12.450 1.00 1.87 C ATOM 632 OD1 ASN A 42 -11.362 4.583 -13.344 1.00 2.57 O ATOM 633 ND2 ASN A 42 -13.177 5.390 -12.296 1.00 2.66 N ATOM 0 H ASN A 42 -8.905 6.119 -9.558 1.00 0.74 H new ATOM 0 HA ASN A 42 -11.576 4.865 -9.739 1.00 0.68 H new ATOM 0 HB2 ASN A 42 -11.504 6.924 -11.145 1.00 0.85 H new ATOM 0 HB3 ASN A 42 -10.070 6.324 -11.952 1.00 0.85 H new ATOM 0 HD21 ASN A 42 -13.813 4.910 -12.933 1.00 2.66 H new ATOM 0 HD22 ASN A 42 -13.550 5.966 -11.541 1.00 2.66 H new ATOM 640 N PRO A 43 -10.017 2.818 -9.888 1.00 0.41 N ATOM 641 CA PRO A 43 -9.329 1.559 -10.193 1.00 0.40 C ATOM 642 C PRO A 43 -9.900 0.873 -11.430 1.00 0.39 C ATOM 643 O PRO A 43 -11.078 1.030 -11.750 1.00 0.51 O ATOM 644 CB PRO A 43 -9.582 0.708 -8.947 1.00 0.44 C ATOM 645 CG PRO A 43 -10.858 1.235 -8.389 1.00 0.45 C ATOM 646 CD PRO A 43 -10.846 2.711 -8.670 1.00 0.44 C ATOM 0 HA PRO A 43 -8.273 1.714 -10.414 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -9.665 -0.349 -9.199 1.00 0.44 H new ATOM 0 HB3 PRO A 43 -8.766 0.802 -8.230 1.00 0.44 H new ATOM 0 HG2 PRO A 43 -11.718 0.755 -8.856 1.00 0.45 H new ATOM 0 HG3 PRO A 43 -10.927 1.041 -7.319 1.00 0.45 H new ATOM 0 HD2 PRO A 43 -11.852 3.098 -8.833 1.00 0.44 H new ATOM 0 HD3 PRO A 43 -10.418 3.275 -7.841 1.00 0.44 H new ATOM 654 N THR A 44 -9.056 0.113 -12.123 1.00 0.35 N ATOM 655 CA THR A 44 -9.479 -0.601 -13.322 1.00 0.36 C ATOM 656 C THR A 44 -10.529 -1.652 -12.982 1.00 0.32 C ATOM 657 O THR A 44 -10.532 -2.195 -11.879 1.00 0.33 O ATOM 658 CB THR A 44 -8.286 -1.284 -14.022 1.00 0.43 C ATOM 659 OG1 THR A 44 -7.236 -0.334 -14.238 1.00 0.73 O ATOM 660 CG2 THR A 44 -8.708 -1.888 -15.356 1.00 0.69 C ATOM 0 H THR A 44 -8.076 -0.024 -11.874 1.00 0.35 H new ATOM 0 HA THR A 44 -9.908 0.136 -14.000 1.00 0.36 H new ATOM 0 HB THR A 44 -7.928 -2.085 -13.376 1.00 0.43 H new ATOM 0 HG1 THR A 44 -6.482 -0.775 -14.681 1.00 0.73 H new ATOM 0 HG21 THR A 44 -7.848 -2.363 -15.829 1.00 0.69 H new ATOM 0 HG22 THR A 44 -9.487 -2.632 -15.188 1.00 0.69 H new ATOM 0 HG23 THR A 44 -9.091 -1.102 -16.007 1.00 0.69 H new ATOM 668 N GLU A 45 -11.419 -1.932 -13.930 1.00 0.32 N ATOM 669 CA GLU A 45 -12.479 -2.915 -13.722 1.00 0.33 C ATOM 670 C GLU A 45 -11.927 -4.211 -13.133 1.00 0.32 C ATOM 671 O GLU A 45 -12.391 -4.675 -12.091 1.00 0.34 O ATOM 672 CB GLU A 45 -13.196 -3.205 -15.043 1.00 0.40 C ATOM 673 CG GLU A 45 -14.391 -4.133 -14.897 1.00 1.14 C ATOM 674 CD GLU A 45 -15.119 -4.357 -16.209 1.00 1.84 C ATOM 675 OE1 GLU A 45 -14.698 -5.247 -16.977 1.00 2.70 O ATOM 676 OE2 GLU A 45 -16.110 -3.643 -16.468 1.00 2.04 O ATOM 0 H GLU A 45 -11.428 -1.492 -14.850 1.00 0.32 H new ATOM 0 HA GLU A 45 -13.190 -2.495 -13.010 1.00 0.33 H new ATOM 0 HB2 GLU A 45 -13.529 -2.264 -15.480 1.00 0.40 H new ATOM 0 HB3 GLU A 45 -12.486 -3.648 -15.742 1.00 0.40 H new ATOM 0 HG2 GLU A 45 -14.055 -5.092 -14.504 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -15.085 -3.714 -14.168 1.00 1.14 H new ATOM 683 N ALA A 46 -10.933 -4.785 -13.803 1.00 0.33 N ATOM 684 CA ALA A 46 -10.321 -6.032 -13.354 1.00 0.37 C ATOM 685 C ALA A 46 -9.850 -5.941 -11.907 1.00 0.33 C ATOM 686 O ALA A 46 -10.209 -6.778 -11.078 1.00 0.34 O ATOM 687 CB ALA A 46 -9.159 -6.403 -14.261 1.00 0.46 C ATOM 0 H ALA A 46 -10.533 -4.406 -14.661 1.00 0.33 H new ATOM 0 HA ALA A 46 -11.082 -6.811 -13.406 1.00 0.37 H new ATOM 0 HB1 ALA A 46 -8.711 -7.335 -13.916 1.00 0.46 H new ATOM 0 HB2 ALA A 46 -9.520 -6.530 -15.281 1.00 0.46 H new ATOM 0 HB3 ALA A 46 -8.411 -5.610 -14.237 1.00 0.46 H new ATOM 693 N GLU A 47 -9.048 -4.922 -11.607 1.00 0.32 N ATOM 694 CA GLU A 47 -8.529 -4.731 -10.255 1.00 0.32 C ATOM 695 C GLU A 47 -9.666 -4.706 -9.249 1.00 0.28 C ATOM 696 O GLU A 47 -9.603 -5.357 -8.207 1.00 0.28 O ATOM 697 CB GLU A 47 -7.728 -3.429 -10.168 1.00 0.37 C ATOM 698 CG GLU A 47 -7.081 -3.201 -8.811 1.00 0.43 C ATOM 699 CD GLU A 47 -6.060 -4.267 -8.465 1.00 1.24 C ATOM 700 OE1 GLU A 47 -4.876 -4.094 -8.822 1.00 1.27 O ATOM 701 OE2 GLU A 47 -6.445 -5.276 -7.838 1.00 2.23 O ATOM 0 H GLU A 47 -8.744 -4.218 -12.280 1.00 0.32 H new ATOM 0 HA GLU A 47 -7.869 -5.567 -10.021 1.00 0.32 H new ATOM 0 HB2 GLU A 47 -6.952 -3.438 -10.934 1.00 0.37 H new ATOM 0 HB3 GLU A 47 -8.388 -2.591 -10.392 1.00 0.37 H new ATOM 0 HG2 GLU A 47 -6.598 -2.224 -8.803 1.00 0.43 H new ATOM 0 HG3 GLU A 47 -7.854 -3.181 -8.043 1.00 0.43 H new ATOM 708 N LEU A 48 -10.709 -3.955 -9.577 1.00 0.29 N ATOM 709 CA LEU A 48 -11.871 -3.839 -8.712 1.00 0.31 C ATOM 710 C LEU A 48 -12.474 -5.210 -8.433 1.00 0.30 C ATOM 711 O LEU A 48 -12.840 -5.519 -7.302 1.00 0.35 O ATOM 712 CB LEU A 48 -12.917 -2.927 -9.353 1.00 0.35 C ATOM 713 CG LEU A 48 -14.093 -2.559 -8.452 1.00 0.65 C ATOM 714 CD1 LEU A 48 -13.616 -1.742 -7.260 1.00 1.34 C ATOM 715 CD2 LEU A 48 -15.145 -1.794 -9.241 1.00 1.36 C ATOM 0 H LEU A 48 -10.772 -3.416 -10.440 1.00 0.29 H new ATOM 0 HA LEU A 48 -11.552 -3.403 -7.765 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -12.427 -2.009 -9.678 1.00 0.35 H new ATOM 0 HB3 LEU A 48 -13.303 -3.415 -10.248 1.00 0.35 H new ATOM 0 HG LEU A 48 -14.544 -3.478 -8.077 1.00 0.65 H new ATOM 0 HD11 LEU A 48 -14.467 -1.488 -6.629 1.00 1.34 H new ATOM 0 HD12 LEU A 48 -12.898 -2.325 -6.684 1.00 1.34 H new ATOM 0 HD13 LEU A 48 -13.141 -0.827 -7.613 1.00 1.34 H new ATOM 0 HD21 LEU A 48 -15.977 -1.539 -8.585 1.00 1.36 H new ATOM 0 HD22 LEU A 48 -14.706 -0.881 -9.643 1.00 1.36 H new ATOM 0 HD23 LEU A 48 -15.507 -2.414 -10.061 1.00 1.36 H new ATOM 727 N GLN A 49 -12.564 -6.034 -9.471 1.00 0.30 N ATOM 728 CA GLN A 49 -13.126 -7.372 -9.337 1.00 0.35 C ATOM 729 C GLN A 49 -12.217 -8.268 -8.503 1.00 0.35 C ATOM 730 O GLN A 49 -12.687 -9.180 -7.820 1.00 0.38 O ATOM 731 CB GLN A 49 -13.362 -7.984 -10.718 1.00 0.41 C ATOM 732 CG GLN A 49 -14.345 -7.189 -11.560 1.00 0.48 C ATOM 733 CD GLN A 49 -14.679 -7.866 -12.873 1.00 0.78 C ATOM 734 OE1 GLN A 49 -13.858 -8.585 -13.444 1.00 1.22 O ATOM 735 NE2 GLN A 49 -15.892 -7.636 -13.358 1.00 1.19 N ATOM 0 H GLN A 49 -12.255 -5.799 -10.414 1.00 0.30 H new ATOM 0 HA GLN A 49 -14.082 -7.291 -8.819 1.00 0.35 H new ATOM 0 HB2 GLN A 49 -12.411 -8.052 -11.247 1.00 0.41 H new ATOM 0 HB3 GLN A 49 -13.734 -9.002 -10.599 1.00 0.41 H new ATOM 0 HG2 GLN A 49 -15.263 -7.037 -10.992 1.00 0.48 H new ATOM 0 HG3 GLN A 49 -13.928 -6.202 -11.762 1.00 0.48 H new ATOM 0 HE21 GLN A 49 -16.539 -7.033 -12.850 1.00 1.19 H new ATOM 0 HE22 GLN A 49 -16.178 -8.062 -14.239 1.00 1.19 H new ATOM 744 N ASP A 50 -10.914 -8.006 -8.561 1.00 0.34 N ATOM 745 CA ASP A 50 -9.946 -8.789 -7.799 1.00 0.38 C ATOM 746 C ASP A 50 -10.096 -8.535 -6.301 1.00 0.35 C ATOM 747 O ASP A 50 -10.247 -9.470 -5.515 1.00 0.39 O ATOM 748 CB ASP A 50 -8.520 -8.457 -8.246 1.00 0.43 C ATOM 749 CG ASP A 50 -8.192 -9.034 -9.610 1.00 0.49 C ATOM 750 OD1 ASP A 50 -8.027 -10.267 -9.710 1.00 0.62 O ATOM 751 OD2 ASP A 50 -8.102 -8.250 -10.578 1.00 0.53 O ATOM 0 H ASP A 50 -10.506 -7.261 -9.125 1.00 0.34 H new ATOM 0 HA ASP A 50 -10.141 -9.844 -7.991 1.00 0.38 H new ATOM 0 HB2 ASP A 50 -8.393 -7.375 -8.272 1.00 0.43 H new ATOM 0 HB3 ASP A 50 -7.813 -8.843 -7.512 1.00 0.43 H new ATOM 756 N LEU A 51 -10.054 -7.263 -5.911 1.00 0.32 N ATOM 757 CA LEU A 51 -10.187 -6.888 -4.506 1.00 0.33 C ATOM 758 C LEU A 51 -11.575 -7.233 -3.978 1.00 0.32 C ATOM 759 O LEU A 51 -11.728 -7.601 -2.814 1.00 0.35 O ATOM 760 CB LEU A 51 -9.912 -5.397 -4.324 1.00 0.36 C ATOM 761 CG LEU A 51 -10.687 -4.485 -5.272 1.00 0.30 C ATOM 762 CD1 LEU A 51 -11.816 -3.778 -4.539 1.00 0.39 C ATOM 763 CD2 LEU A 51 -9.748 -3.479 -5.918 1.00 0.31 C ATOM 0 H LEU A 51 -9.929 -6.476 -6.547 1.00 0.32 H new ATOM 0 HA LEU A 51 -9.452 -7.455 -3.935 1.00 0.33 H new ATOM 0 HB2 LEU A 51 -10.152 -5.120 -3.298 1.00 0.36 H new ATOM 0 HB3 LEU A 51 -8.845 -5.219 -4.461 1.00 0.36 H new ATOM 0 HG LEU A 51 -11.130 -5.098 -6.057 1.00 0.30 H new ATOM 0 HD11 LEU A 51 -12.354 -3.134 -5.234 1.00 0.39 H new ATOM 0 HD12 LEU A 51 -12.501 -4.518 -4.126 1.00 0.39 H new ATOM 0 HD13 LEU A 51 -11.403 -3.174 -3.731 1.00 0.39 H new ATOM 0 HD21 LEU A 51 -10.313 -2.835 -6.592 1.00 0.31 H new ATOM 0 HD22 LEU A 51 -9.277 -2.872 -5.145 1.00 0.31 H new ATOM 0 HD23 LEU A 51 -8.980 -4.008 -6.481 1.00 0.31 H new ATOM 775 N ILE A 52 -12.587 -7.105 -4.836 1.00 0.31 N ATOM 776 CA ILE A 52 -13.957 -7.418 -4.445 1.00 0.34 C ATOM 777 C ILE A 52 -14.067 -8.874 -4.009 1.00 0.37 C ATOM 778 O ILE A 52 -14.691 -9.179 -2.995 1.00 0.41 O ATOM 779 CB ILE A 52 -14.958 -7.144 -5.592 1.00 0.38 C ATOM 780 CG1 ILE A 52 -15.240 -5.642 -5.704 1.00 0.42 C ATOM 781 CG2 ILE A 52 -16.257 -7.912 -5.374 1.00 0.50 C ATOM 782 CD1 ILE A 52 -16.042 -5.264 -6.931 1.00 0.50 C ATOM 0 H ILE A 52 -12.483 -6.789 -5.800 1.00 0.31 H new ATOM 0 HA ILE A 52 -14.211 -6.766 -3.609 1.00 0.34 H new ATOM 0 HB ILE A 52 -14.511 -7.488 -6.525 1.00 0.38 H new ATOM 0 HG12 ILE A 52 -15.778 -5.315 -4.814 1.00 0.42 H new ATOM 0 HG13 ILE A 52 -14.292 -5.103 -5.720 1.00 0.42 H new ATOM 0 HG21 ILE A 52 -16.945 -7.703 -6.193 1.00 0.50 H new ATOM 0 HG22 ILE A 52 -16.046 -8.981 -5.340 1.00 0.50 H new ATOM 0 HG23 ILE A 52 -16.710 -7.602 -4.432 1.00 0.50 H new ATOM 0 HD11 ILE A 52 -16.203 -4.186 -6.943 1.00 0.50 H new ATOM 0 HD12 ILE A 52 -15.497 -5.559 -7.827 1.00 0.50 H new ATOM 0 HD13 ILE A 52 -17.005 -5.774 -6.908 1.00 0.50 H new ATOM 794 N ALA A 53 -13.458 -9.766 -4.782 1.00 0.41 N ATOM 795 CA ALA A 53 -13.485 -11.187 -4.465 1.00 0.50 C ATOM 796 C ALA A 53 -12.710 -11.463 -3.185 1.00 0.49 C ATOM 797 O ALA A 53 -13.051 -12.367 -2.423 1.00 0.58 O ATOM 798 CB ALA A 53 -12.918 -12.002 -5.619 1.00 0.59 C ATOM 0 H ALA A 53 -12.942 -9.531 -5.630 1.00 0.41 H new ATOM 0 HA ALA A 53 -14.522 -11.485 -4.310 1.00 0.50 H new ATOM 0 HB1 ALA A 53 -12.946 -13.061 -5.364 1.00 0.59 H new ATOM 0 HB2 ALA A 53 -13.514 -11.828 -6.515 1.00 0.59 H new ATOM 0 HB3 ALA A 53 -11.887 -11.701 -5.805 1.00 0.59 H new ATOM 804 N GLU A 54 -11.665 -10.673 -2.954 1.00 0.45 N ATOM 805 CA GLU A 54 -10.847 -10.821 -1.759 1.00 0.51 C ATOM 806 C GLU A 54 -11.659 -10.464 -0.518 1.00 0.50 C ATOM 807 O GLU A 54 -11.637 -11.185 0.478 1.00 0.59 O ATOM 808 CB GLU A 54 -9.604 -9.932 -1.849 1.00 0.57 C ATOM 809 CG GLU A 54 -8.691 -10.030 -0.638 1.00 1.07 C ATOM 810 CD GLU A 54 -7.463 -9.151 -0.762 1.00 1.77 C ATOM 811 OE1 GLU A 54 -7.548 -7.958 -0.401 1.00 2.54 O ATOM 812 OE2 GLU A 54 -6.414 -9.656 -1.216 1.00 1.99 O ATOM 0 H GLU A 54 -11.367 -9.925 -3.580 1.00 0.45 H new ATOM 0 HA GLU A 54 -10.527 -11.860 -1.684 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -9.039 -10.202 -2.741 1.00 0.57 H new ATOM 0 HB3 GLU A 54 -9.918 -8.896 -1.973 1.00 0.57 H new ATOM 0 HG2 GLU A 54 -9.247 -9.747 0.256 1.00 1.07 H new ATOM 0 HG3 GLU A 54 -8.380 -11.066 -0.505 1.00 1.07 H new ATOM 819 N ALA A 55 -12.377 -9.346 -0.592 1.00 0.43 N ATOM 820 CA ALA A 55 -13.204 -8.897 0.522 1.00 0.47 C ATOM 821 C ALA A 55 -14.487 -9.718 0.619 1.00 0.46 C ATOM 822 O ALA A 55 -15.124 -9.768 1.671 1.00 0.53 O ATOM 823 CB ALA A 55 -13.533 -7.421 0.376 1.00 0.50 C ATOM 0 H ALA A 55 -12.402 -8.737 -1.410 1.00 0.43 H new ATOM 0 HA ALA A 55 -12.638 -9.042 1.442 1.00 0.47 H new ATOM 0 HB1 ALA A 55 -14.151 -7.101 1.215 1.00 0.50 H new ATOM 0 HB2 ALA A 55 -12.610 -6.842 0.364 1.00 0.50 H new ATOM 0 HB3 ALA A 55 -14.075 -7.259 -0.556 1.00 0.50 H new ATOM 829 N GLU A 56 -14.861 -10.360 -0.486 1.00 0.41 N ATOM 830 CA GLU A 56 -16.070 -11.176 -0.523 1.00 0.44 C ATOM 831 C GLU A 56 -15.821 -12.549 0.091 1.00 0.49 C ATOM 832 O GLU A 56 -16.720 -13.149 0.679 1.00 0.63 O ATOM 833 CB GLU A 56 -16.567 -11.328 -1.962 1.00 0.47 C ATOM 834 CG GLU A 56 -17.874 -12.095 -2.078 1.00 0.52 C ATOM 835 CD GLU A 56 -18.403 -12.135 -3.499 1.00 1.26 C ATOM 836 OE1 GLU A 56 -18.015 -13.053 -4.251 1.00 1.95 O ATOM 837 OE2 GLU A 56 -19.206 -11.248 -3.859 1.00 1.66 O ATOM 0 H GLU A 56 -14.345 -10.330 -1.365 1.00 0.41 H new ATOM 0 HA GLU A 56 -16.836 -10.670 0.065 1.00 0.44 H new ATOM 0 HB2 GLU A 56 -16.697 -10.338 -2.399 1.00 0.47 H new ATOM 0 HB3 GLU A 56 -15.803 -11.838 -2.549 1.00 0.47 H new ATOM 0 HG2 GLU A 56 -17.726 -13.114 -1.721 1.00 0.52 H new ATOM 0 HG3 GLU A 56 -18.620 -11.635 -1.430 1.00 0.52 H new ATOM 844 N ASN A 57 -14.594 -13.039 -0.053 1.00 0.53 N ATOM 845 CA ASN A 57 -14.219 -14.341 0.485 1.00 0.68 C ATOM 846 C ASN A 57 -13.644 -14.200 1.890 1.00 0.79 C ATOM 847 O ASN A 57 -13.491 -15.185 2.614 1.00 1.19 O ATOM 848 CB ASN A 57 -13.198 -15.017 -0.433 1.00 0.87 C ATOM 849 CG ASN A 57 -12.794 -16.393 0.058 1.00 1.67 C ATOM 850 OD1 ASN A 57 -13.423 -17.395 -0.282 1.00 2.38 O ATOM 851 ND2 ASN A 57 -11.739 -16.449 0.862 1.00 2.48 N ATOM 0 H ASN A 57 -13.841 -12.552 -0.539 1.00 0.53 H new ATOM 0 HA ASN A 57 -15.115 -14.960 0.539 1.00 0.68 H new ATOM 0 HB2 ASN A 57 -13.617 -15.102 -1.436 1.00 0.87 H new ATOM 0 HB3 ASN A 57 -12.311 -14.388 -0.510 1.00 0.87 H new ATOM 0 HD21 ASN A 57 -11.420 -17.348 1.223 1.00 2.48 H new ATOM 0 HD22 ASN A 57 -11.247 -15.593 1.118 1.00 2.48 H new ATOM 858 N ASN A 58 -13.332 -12.966 2.273 1.00 0.84 N ATOM 859 CA ASN A 58 -12.771 -12.691 3.590 1.00 1.03 C ATOM 860 C ASN A 58 -13.871 -12.634 4.646 1.00 1.09 C ATOM 861 O ASN A 58 -14.139 -13.624 5.326 1.00 1.84 O ATOM 862 CB ASN A 58 -11.984 -11.376 3.567 1.00 1.12 C ATOM 863 CG ASN A 58 -11.013 -11.242 4.730 1.00 1.81 C ATOM 864 OD1 ASN A 58 -11.342 -11.853 5.864 1.00 2.48 O flip ATOM 865 ND2 ASN A 58 -9.974 -10.594 4.608 1.00 2.14 N flip ATOM 0 H ASN A 58 -13.459 -12.140 1.689 1.00 0.84 H new ATOM 0 HA ASN A 58 -12.091 -13.502 3.850 1.00 1.03 H new ATOM 0 HB2 ASN A 58 -11.431 -11.306 2.630 1.00 1.12 H new ATOM 0 HB3 ASN A 58 -12.684 -10.540 3.587 1.00 1.12 H new ATOM 0 HD21 ASN A 58 -9.757 -10.140 3.721 1.00 2.14 H new ATOM 0 HD22 ASN A 58 -9.329 -10.511 5.394 1.00 2.14 H new ATOM 872 N ASN A 59 -14.505 -11.474 4.778 1.00 1.04 N ATOM 873 CA ASN A 59 -15.572 -11.298 5.754 1.00 1.01 C ATOM 874 C ASN A 59 -16.938 -11.366 5.081 1.00 0.88 C ATOM 875 O ASN A 59 -17.867 -10.652 5.462 1.00 0.91 O ATOM 876 CB ASN A 59 -15.410 -9.968 6.489 1.00 1.08 C ATOM 877 CG ASN A 59 -14.010 -9.778 7.039 1.00 1.31 C ATOM 878 OD1 ASN A 59 -13.716 -10.172 8.167 1.00 2.05 O ATOM 879 ND2 ASN A 59 -13.139 -9.170 6.241 1.00 1.51 N ATOM 0 H ASN A 59 -14.299 -10.644 4.222 1.00 1.04 H new ATOM 0 HA ASN A 59 -15.506 -12.109 6.479 1.00 1.01 H new ATOM 0 HB2 ASN A 59 -15.644 -9.149 5.809 1.00 1.08 H new ATOM 0 HB3 ASN A 59 -16.129 -9.918 7.307 1.00 1.08 H new ATOM 0 HD21 ASN A 59 -12.182 -9.013 6.556 1.00 1.51 H new ATOM 0 HD22 ASN A 59 -13.428 -8.860 5.313 1.00 1.51 H new ATOM 886 N ASN A 60 -17.047 -12.229 4.073 1.00 0.80 N ATOM 887 CA ASN A 60 -18.297 -12.408 3.340 1.00 0.76 C ATOM 888 C ASN A 60 -18.713 -11.116 2.637 1.00 0.74 C ATOM 889 O ASN A 60 -17.894 -10.472 1.982 1.00 1.42 O ATOM 890 CB ASN A 60 -19.395 -12.890 4.292 1.00 0.86 C ATOM 891 CG ASN A 60 -18.917 -14.005 5.202 1.00 0.95 C ATOM 892 OD1 ASN A 60 -17.950 -14.786 4.727 1.00 1.47 O flip ATOM 893 ND2 ASN A 60 -19.407 -14.163 6.320 1.00 1.19 N flip ATOM 0 H ASN A 60 -16.281 -12.817 3.745 1.00 0.80 H new ATOM 0 HA ASN A 60 -18.143 -13.165 2.571 1.00 0.76 H new ATOM 0 HB2 ASN A 60 -19.741 -12.053 4.898 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -20.249 -13.238 3.712 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -20.147 -13.541 6.645 1.00 1.19 H new ATOM 0 HD22 ASN A 60 -19.073 -14.916 6.921 1.00 1.19 H new ATOM 900 N GLY A 61 -19.983 -10.733 2.774 1.00 0.43 N ATOM 901 CA GLY A 61 -20.463 -9.523 2.135 1.00 0.40 C ATOM 902 C GLY A 61 -20.067 -8.271 2.891 1.00 0.32 C ATOM 903 O GLY A 61 -20.778 -7.267 2.854 1.00 0.38 O ATOM 0 H GLY A 61 -20.684 -11.240 3.315 1.00 0.43 H new ATOM 0 HA2 GLY A 61 -20.068 -9.471 1.120 1.00 0.40 H new ATOM 0 HA3 GLY A 61 -21.549 -9.566 2.053 1.00 0.40 H new ATOM 907 N GLN A 62 -18.932 -8.329 3.581 1.00 0.36 N ATOM 908 CA GLN A 62 -18.446 -7.188 4.344 1.00 0.29 C ATOM 909 C GLN A 62 -16.920 -7.111 4.318 1.00 0.31 C ATOM 910 O GLN A 62 -16.236 -8.111 4.111 1.00 0.38 O ATOM 911 CB GLN A 62 -18.944 -7.255 5.794 1.00 0.27 C ATOM 912 CG GLN A 62 -20.385 -6.799 5.969 1.00 0.27 C ATOM 913 CD GLN A 62 -20.509 -5.292 6.091 1.00 0.23 C ATOM 914 OE1 GLN A 62 -19.584 -4.570 5.469 1.00 0.25 O flip ATOM 915 NE2 GLN A 62 -21.423 -4.780 6.740 1.00 0.21 N flip ATOM 0 H GLN A 62 -18.333 -9.154 3.626 1.00 0.36 H new ATOM 0 HA GLN A 62 -18.841 -6.287 3.875 1.00 0.29 H new ATOM 0 HB2 GLN A 62 -18.851 -8.280 6.154 1.00 0.27 H new ATOM 0 HB3 GLN A 62 -18.299 -6.638 6.419 1.00 0.27 H new ATOM 0 HG2 GLN A 62 -20.976 -7.141 5.119 1.00 0.27 H new ATOM 0 HG3 GLN A 62 -20.805 -7.268 6.859 1.00 0.27 H new ATOM 0 HE21 GLN A 62 -22.113 -5.371 7.203 1.00 0.21 H new ATOM 0 HE22 GLN A 62 -21.489 -3.765 6.814 1.00 0.21 H new ATOM 924 N LEU A 63 -16.406 -5.902 4.517 1.00 0.30 N ATOM 925 CA LEU A 63 -14.970 -5.646 4.535 1.00 0.36 C ATOM 926 C LEU A 63 -14.663 -4.609 5.605 1.00 0.31 C ATOM 927 O LEU A 63 -15.539 -3.836 5.989 1.00 0.27 O ATOM 928 CB LEU A 63 -14.477 -5.210 3.153 1.00 0.45 C ATOM 929 CG LEU A 63 -14.751 -3.763 2.772 1.00 0.79 C ATOM 930 CD1 LEU A 63 -13.618 -2.880 3.258 1.00 1.41 C ATOM 931 CD2 LEU A 63 -14.923 -3.646 1.269 1.00 1.43 C ATOM 0 H LEU A 63 -16.975 -5.070 4.671 1.00 0.30 H new ATOM 0 HA LEU A 63 -14.436 -6.564 4.781 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -13.402 -5.381 3.103 1.00 0.45 H new ATOM 0 HB3 LEU A 63 -14.938 -5.855 2.405 1.00 0.45 H new ATOM 0 HG LEU A 63 -15.674 -3.432 3.248 1.00 0.79 H new ATOM 0 HD11 LEU A 63 -13.820 -1.845 2.982 1.00 1.41 H new ATOM 0 HD12 LEU A 63 -13.536 -2.957 4.342 1.00 1.41 H new ATOM 0 HD13 LEU A 63 -12.683 -3.202 2.799 1.00 1.41 H new ATOM 0 HD21 LEU A 63 -15.119 -2.607 1.005 1.00 1.43 H new ATOM 0 HD22 LEU A 63 -14.013 -3.982 0.771 1.00 1.43 H new ATOM 0 HD23 LEU A 63 -15.761 -4.266 0.949 1.00 1.43 H new ATOM 943 N ASN A 64 -13.424 -4.575 6.077 1.00 0.33 N ATOM 944 CA ASN A 64 -13.058 -3.651 7.143 1.00 0.31 C ATOM 945 C ASN A 64 -12.139 -2.546 6.644 1.00 0.31 C ATOM 946 O ASN A 64 -11.482 -2.689 5.615 1.00 0.33 O ATOM 947 CB ASN A 64 -12.374 -4.399 8.294 1.00 0.34 C ATOM 948 CG ASN A 64 -13.050 -5.713 8.642 1.00 0.53 C ATOM 949 OD1 ASN A 64 -13.608 -6.391 7.780 1.00 1.19 O ATOM 950 ND2 ASN A 64 -12.991 -6.084 9.916 1.00 0.99 N ATOM 0 H ASN A 64 -12.664 -5.168 5.744 1.00 0.33 H new ATOM 0 HA ASN A 64 -13.981 -3.194 7.500 1.00 0.31 H new ATOM 0 HB2 ASN A 64 -11.335 -4.593 8.026 1.00 0.34 H new ATOM 0 HB3 ASN A 64 -12.361 -3.760 9.177 1.00 0.34 H new ATOM 0 HD21 ASN A 64 -13.419 -6.961 10.212 1.00 0.99 H new ATOM 0 HD22 ASN A 64 -12.518 -5.491 10.598 1.00 0.99 H new ATOM 957 N PHE A 65 -12.130 -1.435 7.376 1.00 0.30 N ATOM 958 CA PHE A 65 -11.309 -0.275 7.038 1.00 0.30 C ATOM 959 C PHE A 65 -9.931 -0.685 6.521 1.00 0.29 C ATOM 960 O PHE A 65 -9.363 -0.017 5.660 1.00 0.31 O ATOM 961 CB PHE A 65 -11.160 0.620 8.273 1.00 0.32 C ATOM 962 CG PHE A 65 -10.178 1.744 8.102 1.00 0.33 C ATOM 963 CD1 PHE A 65 -10.558 2.926 7.484 1.00 0.37 C ATOM 964 CD2 PHE A 65 -8.875 1.619 8.556 1.00 0.35 C ATOM 965 CE1 PHE A 65 -9.657 3.961 7.323 1.00 0.40 C ATOM 966 CE2 PHE A 65 -7.970 2.649 8.397 1.00 0.38 C ATOM 967 CZ PHE A 65 -8.363 3.826 7.793 1.00 0.39 C ATOM 0 H PHE A 65 -12.691 -1.313 8.219 1.00 0.30 H new ATOM 0 HA PHE A 65 -11.809 0.272 6.239 1.00 0.30 H new ATOM 0 HB2 PHE A 65 -12.134 1.039 8.525 1.00 0.32 H new ATOM 0 HB3 PHE A 65 -10.849 0.006 9.118 1.00 0.32 H new ATOM 0 HD1 PHE A 65 -11.570 3.039 7.124 1.00 0.37 H new ATOM 0 HD2 PHE A 65 -8.564 0.705 9.040 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -9.962 4.873 6.832 1.00 0.40 H new ATOM 0 HE2 PHE A 65 -6.954 2.534 8.745 1.00 0.38 H new ATOM 0 HZ PHE A 65 -7.661 4.640 7.687 1.00 0.39 H new ATOM 977 N THR A 66 -9.402 -1.785 7.043 1.00 0.31 N ATOM 978 CA THR A 66 -8.088 -2.264 6.630 1.00 0.32 C ATOM 979 C THR A 66 -8.074 -2.673 5.160 1.00 0.31 C ATOM 980 O THR A 66 -7.133 -2.359 4.434 1.00 0.30 O ATOM 981 CB THR A 66 -7.632 -3.462 7.479 1.00 0.40 C ATOM 982 OG1 THR A 66 -8.002 -3.266 8.849 1.00 0.56 O ATOM 983 CG2 THR A 66 -6.127 -3.652 7.382 1.00 0.81 C ATOM 0 H THR A 66 -9.860 -2.360 7.750 1.00 0.31 H new ATOM 0 HA THR A 66 -7.399 -1.432 6.778 1.00 0.32 H new ATOM 0 HB THR A 66 -8.124 -4.356 7.095 1.00 0.40 H new ATOM 0 HG1 THR A 66 -7.708 -4.035 9.380 1.00 0.56 H new ATOM 0 HG21 THR A 66 -5.828 -4.505 7.991 1.00 0.81 H new ATOM 0 HG22 THR A 66 -5.849 -3.832 6.344 1.00 0.81 H new ATOM 0 HG23 THR A 66 -5.623 -2.755 7.742 1.00 0.81 H new ATOM 991 N GLU A 67 -9.109 -3.390 4.726 1.00 0.34 N ATOM 992 CA GLU A 67 -9.200 -3.831 3.339 1.00 0.37 C ATOM 993 C GLU A 67 -9.259 -2.637 2.389 1.00 0.32 C ATOM 994 O GLU A 67 -8.450 -2.522 1.469 1.00 0.35 O ATOM 995 CB GLU A 67 -10.432 -4.716 3.141 1.00 0.42 C ATOM 996 CG GLU A 67 -10.380 -6.015 3.930 1.00 0.49 C ATOM 997 CD GLU A 67 -9.194 -6.880 3.549 1.00 0.88 C ATOM 998 OE1 GLU A 67 -9.295 -7.616 2.544 1.00 1.36 O ATOM 999 OE2 GLU A 67 -8.165 -6.823 4.254 1.00 1.21 O ATOM 0 H GLU A 67 -9.892 -3.676 5.313 1.00 0.34 H new ATOM 0 HA GLU A 67 -8.305 -4.410 3.111 1.00 0.37 H new ATOM 0 HB2 GLU A 67 -11.321 -4.158 3.434 1.00 0.42 H new ATOM 0 HB3 GLU A 67 -10.536 -4.948 2.081 1.00 0.42 H new ATOM 0 HG2 GLU A 67 -10.332 -5.788 4.995 1.00 0.49 H new ATOM 0 HG3 GLU A 67 -11.301 -6.574 3.764 1.00 0.49 H new ATOM 1006 N PHE A 68 -10.224 -1.753 2.622 1.00 0.29 N ATOM 1007 CA PHE A 68 -10.398 -0.562 1.792 1.00 0.27 C ATOM 1008 C PHE A 68 -9.148 0.316 1.809 1.00 0.26 C ATOM 1009 O PHE A 68 -8.653 0.721 0.758 1.00 0.32 O ATOM 1010 CB PHE A 68 -11.613 0.232 2.279 1.00 0.26 C ATOM 1011 CG PHE A 68 -11.763 1.592 1.650 1.00 0.30 C ATOM 1012 CD1 PHE A 68 -11.780 1.749 0.271 1.00 0.38 C ATOM 1013 CD2 PHE A 68 -11.901 2.717 2.447 1.00 0.35 C ATOM 1014 CE1 PHE A 68 -11.933 3.001 -0.295 1.00 0.48 C ATOM 1015 CE2 PHE A 68 -12.050 3.968 1.887 1.00 0.45 C ATOM 1016 CZ PHE A 68 -12.068 4.111 0.515 1.00 0.51 C ATOM 0 H PHE A 68 -10.900 -1.838 3.381 1.00 0.29 H new ATOM 0 HA PHE A 68 -10.563 -0.882 0.763 1.00 0.27 H new ATOM 0 HB2 PHE A 68 -12.514 -0.348 2.079 1.00 0.26 H new ATOM 0 HB3 PHE A 68 -11.544 0.351 3.360 1.00 0.26 H new ATOM 0 HD1 PHE A 68 -11.673 0.884 -0.367 1.00 0.38 H new ATOM 0 HD2 PHE A 68 -11.892 2.612 3.522 1.00 0.35 H new ATOM 0 HE1 PHE A 68 -11.947 3.111 -1.369 1.00 0.48 H new ATOM 0 HE2 PHE A 68 -12.153 4.836 2.522 1.00 0.45 H new ATOM 0 HZ PHE A 68 -12.188 5.090 0.075 1.00 0.51 H new ATOM 1026 N CYS A 69 -8.645 0.608 3.005 1.00 0.23 N ATOM 1027 CA CYS A 69 -7.453 1.439 3.154 1.00 0.23 C ATOM 1028 C CYS A 69 -6.260 0.792 2.475 1.00 0.27 C ATOM 1029 O CYS A 69 -5.437 1.470 1.868 1.00 0.31 O ATOM 1030 CB CYS A 69 -7.127 1.651 4.629 1.00 0.23 C ATOM 1031 SG CYS A 69 -6.068 3.077 4.959 1.00 0.75 S ATOM 0 H CYS A 69 -9.044 0.282 3.885 1.00 0.23 H new ATOM 0 HA CYS A 69 -7.660 2.401 2.685 1.00 0.23 H new ATOM 0 HB2 CYS A 69 -8.059 1.770 5.182 1.00 0.23 H new ATOM 0 HB3 CYS A 69 -6.640 0.755 5.014 1.00 0.23 H new ATOM 0 HG CYS A 69 -6.742 4.172 4.767 1.00 0.75 H new ATOM 1037 N GLY A 70 -6.167 -0.525 2.601 1.00 0.30 N ATOM 1038 CA GLY A 70 -5.071 -1.250 1.990 1.00 0.35 C ATOM 1039 C GLY A 70 -5.048 -1.075 0.493 1.00 0.37 C ATOM 1040 O GLY A 70 -3.985 -0.897 -0.101 1.00 0.41 O ATOM 0 H GLY A 70 -6.831 -1.104 3.115 1.00 0.30 H new ATOM 0 HA2 GLY A 70 -4.127 -0.904 2.411 1.00 0.35 H new ATOM 0 HA3 GLY A 70 -5.157 -2.310 2.231 1.00 0.35 H new ATOM 1044 N ILE A 71 -6.216 -1.144 -0.133 1.00 0.37 N ATOM 1045 CA ILE A 71 -6.297 -0.945 -1.564 1.00 0.41 C ATOM 1046 C ILE A 71 -5.871 0.462 -1.896 1.00 0.40 C ATOM 1047 O ILE A 71 -5.037 0.694 -2.765 1.00 0.44 O ATOM 1048 CB ILE A 71 -7.702 -1.159 -2.104 1.00 0.42 C ATOM 1049 CG1 ILE A 71 -8.177 -2.554 -1.734 1.00 0.47 C ATOM 1050 CG2 ILE A 71 -7.683 -0.956 -3.611 1.00 0.46 C ATOM 1051 CD1 ILE A 71 -9.660 -2.759 -1.933 1.00 0.51 C ATOM 0 H ILE A 71 -7.107 -1.334 0.326 1.00 0.37 H new ATOM 0 HA ILE A 71 -5.640 -1.680 -2.028 1.00 0.41 H new ATOM 0 HB ILE A 71 -8.397 -0.442 -1.667 1.00 0.42 H new ATOM 0 HG12 ILE A 71 -7.634 -3.285 -2.333 1.00 0.47 H new ATOM 0 HG13 ILE A 71 -7.928 -2.749 -0.691 1.00 0.47 H new ATOM 0 HG21 ILE A 71 -8.686 -1.107 -4.011 1.00 0.46 H new ATOM 0 HG22 ILE A 71 -7.350 0.057 -3.838 1.00 0.46 H new ATOM 0 HG23 ILE A 71 -6.999 -1.673 -4.066 1.00 0.46 H new ATOM 0 HD11 ILE A 71 -9.928 -3.777 -1.649 1.00 0.51 H new ATOM 0 HD12 ILE A 71 -10.211 -2.052 -1.313 1.00 0.51 H new ATOM 0 HD13 ILE A 71 -9.912 -2.596 -2.981 1.00 0.51 H new ATOM 1063 N MET A 72 -6.476 1.406 -1.203 1.00 0.38 N ATOM 1064 CA MET A 72 -6.144 2.800 -1.389 1.00 0.41 C ATOM 1065 C MET A 72 -4.647 2.971 -1.218 1.00 0.45 C ATOM 1066 O MET A 72 -4.032 3.837 -1.821 1.00 0.52 O ATOM 1067 CB MET A 72 -6.883 3.671 -0.375 1.00 0.39 C ATOM 1068 CG MET A 72 -8.394 3.625 -0.513 1.00 0.41 C ATOM 1069 SD MET A 72 -9.162 5.208 -0.135 1.00 1.01 S ATOM 1070 CE MET A 72 -8.583 6.202 -1.504 1.00 0.58 C ATOM 0 H MET A 72 -7.200 1.231 -0.506 1.00 0.38 H new ATOM 0 HA MET A 72 -6.446 3.111 -2.389 1.00 0.41 H new ATOM 0 HB2 MET A 72 -6.610 3.352 0.631 1.00 0.39 H new ATOM 0 HB3 MET A 72 -6.549 4.703 -0.485 1.00 0.39 H new ATOM 0 HG2 MET A 72 -8.655 3.330 -1.529 1.00 0.41 H new ATOM 0 HG3 MET A 72 -8.795 2.861 0.153 1.00 0.41 H new ATOM 0 HE1 MET A 72 -8.065 7.082 -1.122 1.00 0.58 H new ATOM 0 HE2 MET A 72 -7.898 5.615 -2.116 1.00 0.58 H new ATOM 0 HE3 MET A 72 -9.432 6.516 -2.110 1.00 0.58 H new ATOM 1080 N ALA A 73 -4.073 2.108 -0.393 1.00 0.46 N ATOM 1081 CA ALA A 73 -2.651 2.127 -0.117 1.00 0.53 C ATOM 1082 C ALA A 73 -1.862 1.624 -1.324 1.00 0.59 C ATOM 1083 O ALA A 73 -0.775 2.120 -1.616 1.00 0.70 O ATOM 1084 CB ALA A 73 -2.355 1.284 1.122 1.00 0.54 C ATOM 0 H ALA A 73 -4.583 1.376 0.102 1.00 0.46 H new ATOM 0 HA ALA A 73 -2.340 3.153 0.078 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -1.284 1.301 1.326 1.00 0.54 H new ATOM 0 HB2 ALA A 73 -2.894 1.692 1.977 1.00 0.54 H new ATOM 0 HB3 ALA A 73 -2.675 0.257 0.948 1.00 0.54 H new ATOM 1090 N LYS A 74 -2.427 0.649 -2.035 1.00 0.55 N ATOM 1091 CA LYS A 74 -1.767 0.081 -3.208 1.00 0.62 C ATOM 1092 C LYS A 74 -1.951 0.964 -4.445 1.00 0.63 C ATOM 1093 O LYS A 74 -1.068 1.032 -5.299 1.00 0.70 O ATOM 1094 CB LYS A 74 -2.291 -1.336 -3.491 1.00 0.63 C ATOM 1095 CG LYS A 74 -3.666 -1.381 -4.138 1.00 0.65 C ATOM 1096 CD LYS A 74 -3.982 -2.763 -4.689 1.00 0.74 C ATOM 1097 CE LYS A 74 -4.536 -3.687 -3.614 1.00 0.73 C ATOM 1098 NZ LYS A 74 -3.548 -3.946 -2.530 1.00 1.38 N ATOM 0 H LYS A 74 -3.336 0.238 -1.820 1.00 0.55 H new ATOM 0 HA LYS A 74 -0.701 0.030 -2.987 1.00 0.62 H new ATOM 0 HB2 LYS A 74 -1.581 -1.850 -4.139 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -2.326 -1.891 -2.554 1.00 0.63 H new ATOM 0 HG2 LYS A 74 -4.422 -1.099 -3.406 1.00 0.65 H new ATOM 0 HG3 LYS A 74 -3.714 -0.648 -4.943 1.00 0.65 H new ATOM 0 HD2 LYS A 74 -4.705 -2.674 -5.500 1.00 0.74 H new ATOM 0 HD3 LYS A 74 -3.078 -3.200 -5.114 1.00 0.74 H new ATOM 0 HE2 LYS A 74 -5.435 -3.245 -3.185 1.00 0.73 H new ATOM 0 HE3 LYS A 74 -4.831 -4.633 -4.068 1.00 0.73 H new ATOM 0 HZ1 LYS A 74 -3.723 -4.884 -2.117 1.00 1.38 H new ATOM 0 HZ2 LYS A 74 -2.586 -3.915 -2.923 1.00 1.38 H new ATOM 0 HZ3 LYS A 74 -3.644 -3.220 -1.792 1.00 1.38 H new ATOM 1112 N GLN A 75 -3.096 1.638 -4.537 1.00 0.59 N ATOM 1113 CA GLN A 75 -3.386 2.490 -5.685 1.00 0.63 C ATOM 1114 C GLN A 75 -2.746 3.861 -5.528 1.00 0.67 C ATOM 1115 O GLN A 75 -2.181 4.411 -6.474 1.00 0.79 O ATOM 1116 CB GLN A 75 -4.893 2.630 -5.879 1.00 0.63 C ATOM 1117 CG GLN A 75 -5.278 3.511 -7.058 1.00 1.04 C ATOM 1118 CD GLN A 75 -6.771 3.509 -7.333 1.00 1.23 C ATOM 1119 OE1 GLN A 75 -7.427 2.390 -7.045 1.00 1.98 O flip ATOM 1120 NE2 GLN A 75 -7.327 4.500 -7.804 1.00 1.54 N flip ATOM 0 H GLN A 75 -3.834 1.610 -3.833 1.00 0.59 H new ATOM 0 HA GLN A 75 -2.960 2.016 -6.569 1.00 0.63 H new ATOM 0 HB2 GLN A 75 -5.326 1.640 -6.020 1.00 0.63 H new ATOM 0 HB3 GLN A 75 -5.331 3.043 -4.970 1.00 0.63 H new ATOM 0 HG2 GLN A 75 -4.951 4.532 -6.864 1.00 1.04 H new ATOM 0 HG3 GLN A 75 -4.749 3.170 -7.948 1.00 1.04 H new ATOM 0 HE21 GLN A 75 -6.785 5.339 -8.010 1.00 1.54 H new ATOM 0 HE22 GLN A 75 -8.330 4.483 -7.988 1.00 1.54 H new ATOM 1129 N MET A 76 -2.844 4.403 -4.324 1.00 0.65 N ATOM 1130 CA MET A 76 -2.294 5.716 -4.026 1.00 0.73 C ATOM 1131 C MET A 76 -0.767 5.709 -4.021 1.00 0.89 C ATOM 1132 O MET A 76 -0.137 6.485 -4.736 1.00 1.06 O ATOM 1133 CB MET A 76 -2.813 6.204 -2.682 1.00 0.76 C ATOM 1134 CG MET A 76 -4.270 6.640 -2.715 1.00 0.80 C ATOM 1135 SD MET A 76 -4.994 6.781 -1.070 1.00 1.20 S ATOM 1136 CE MET A 76 -3.996 8.092 -0.370 1.00 0.75 C ATOM 0 H MET A 76 -3.302 3.950 -3.533 1.00 0.65 H new ATOM 0 HA MET A 76 -2.619 6.395 -4.815 1.00 0.73 H new ATOM 0 HB2 MET A 76 -2.697 5.408 -1.946 1.00 0.76 H new ATOM 0 HB3 MET A 76 -2.199 7.040 -2.347 1.00 0.76 H new ATOM 0 HG2 MET A 76 -4.346 7.601 -3.224 1.00 0.80 H new ATOM 0 HG3 MET A 76 -4.846 5.923 -3.300 1.00 0.80 H new ATOM 0 HE1 MET A 76 -4.301 8.270 0.661 1.00 0.75 H new ATOM 0 HE2 MET A 76 -2.946 7.802 -0.393 1.00 0.75 H new ATOM 0 HE3 MET A 76 -4.133 9.004 -0.952 1.00 0.75 H new ATOM 1211 N THR A 81 6.363 5.804 -6.960 1.00 5.18 N ATOM 1212 CA THR A 81 7.389 5.271 -7.864 1.00 6.15 C ATOM 1213 C THR A 81 8.751 5.198 -7.176 1.00 6.80 C ATOM 1214 O THR A 81 9.693 5.893 -7.559 1.00 7.13 O ATOM 1215 CB THR A 81 7.500 6.097 -9.167 1.00 6.60 C ATOM 1216 OG1 THR A 81 8.604 5.628 -9.951 1.00 7.29 O ATOM 1217 CG2 THR A 81 7.674 7.581 -8.876 1.00 6.89 C ATOM 0 HA THR A 81 7.075 4.262 -8.130 1.00 6.15 H new ATOM 0 HB THR A 81 6.571 5.967 -9.723 1.00 6.60 H new ATOM 0 HG1 THR A 81 8.414 5.770 -10.902 1.00 7.29 H new ATOM 0 HG21 THR A 81 7.748 8.130 -9.815 1.00 6.89 H new ATOM 0 HG22 THR A 81 6.816 7.944 -8.311 1.00 6.89 H new ATOM 0 HG23 THR A 81 8.583 7.733 -8.294 1.00 6.89 H new ATOM 1225 N GLU A 82 8.836 4.339 -6.162 1.00 7.25 N ATOM 1226 CA GLU A 82 10.061 4.159 -5.384 1.00 8.05 C ATOM 1227 C GLU A 82 11.295 4.001 -6.273 1.00 8.92 C ATOM 1228 O GLU A 82 12.414 4.279 -5.843 1.00 9.53 O ATOM 1229 CB GLU A 82 9.924 2.942 -4.466 1.00 8.64 C ATOM 1230 CG GLU A 82 9.699 1.637 -5.212 1.00 8.69 C ATOM 1231 CD GLU A 82 9.561 0.450 -4.279 1.00 9.34 C ATOM 1232 OE1 GLU A 82 10.601 -0.131 -3.901 1.00 9.74 O ATOM 1233 OE2 GLU A 82 8.415 0.102 -3.927 1.00 9.63 O ATOM 0 H GLU A 82 8.061 3.750 -5.857 1.00 7.25 H new ATOM 0 HA GLU A 82 10.201 5.060 -4.787 1.00 8.05 H new ATOM 0 HB2 GLU A 82 10.825 2.853 -3.859 1.00 8.64 H new ATOM 0 HB3 GLU A 82 9.093 3.107 -3.781 1.00 8.64 H new ATOM 0 HG2 GLU A 82 8.800 1.722 -5.822 1.00 8.69 H new ATOM 0 HG3 GLU A 82 10.532 1.464 -5.894 1.00 8.69 H new ATOM 1240 N GLU A 83 11.090 3.555 -7.508 1.00 9.15 N ATOM 1241 CA GLU A 83 12.198 3.362 -8.441 1.00 10.17 C ATOM 1242 C GLU A 83 12.882 4.686 -8.775 1.00 10.27 C ATOM 1243 O GLU A 83 14.094 4.831 -8.601 1.00 11.05 O ATOM 1244 CB GLU A 83 11.702 2.693 -9.724 1.00 10.55 C ATOM 1245 CG GLU A 83 11.146 1.296 -9.506 1.00 10.83 C ATOM 1246 CD GLU A 83 10.732 0.624 -10.801 1.00 11.60 C ATOM 1247 OE1 GLU A 83 9.581 0.838 -11.239 1.00 11.85 O ATOM 1248 OE2 GLU A 83 11.556 -0.116 -11.377 1.00 12.11 O ATOM 0 H GLU A 83 10.172 3.321 -7.886 1.00 9.15 H new ATOM 0 HA GLU A 83 12.930 2.714 -7.958 1.00 10.17 H new ATOM 0 HB2 GLU A 83 10.929 3.316 -10.173 1.00 10.55 H new ATOM 0 HB3 GLU A 83 12.524 2.640 -10.438 1.00 10.55 H new ATOM 0 HG2 GLU A 83 11.897 0.684 -9.007 1.00 10.83 H new ATOM 0 HG3 GLU A 83 10.286 1.351 -8.839 1.00 10.83 H new ATOM 1255 N GLU A 84 12.100 5.652 -9.251 1.00 9.63 N ATOM 1256 CA GLU A 84 12.636 6.962 -9.609 1.00 9.95 C ATOM 1257 C GLU A 84 13.192 7.677 -8.381 1.00 9.87 C ATOM 1258 O GLU A 84 13.982 8.614 -8.500 1.00 10.51 O ATOM 1259 CB GLU A 84 11.552 7.818 -10.269 1.00 9.47 C ATOM 1260 CG GLU A 84 11.014 7.226 -11.560 1.00 9.88 C ATOM 1261 CD GLU A 84 9.948 8.096 -12.199 1.00 10.40 C ATOM 1262 OE1 GLU A 84 10.309 9.001 -12.981 1.00 10.87 O ATOM 1263 OE2 GLU A 84 8.751 7.873 -11.916 1.00 10.49 O ATOM 0 H GLU A 84 11.095 5.552 -9.397 1.00 9.63 H new ATOM 0 HA GLU A 84 13.450 6.813 -10.318 1.00 9.95 H new ATOM 0 HB2 GLU A 84 10.728 7.950 -9.568 1.00 9.47 H new ATOM 0 HB3 GLU A 84 11.958 8.809 -10.474 1.00 9.47 H new ATOM 0 HG2 GLU A 84 11.836 7.089 -12.263 1.00 9.88 H new ATOM 0 HG3 GLU A 84 10.599 6.239 -11.358 1.00 9.88 H new ATOM 1270 N MET A 85 12.782 7.220 -7.203 1.00 9.31 N ATOM 1271 CA MET A 85 13.233 7.820 -5.954 1.00 9.45 C ATOM 1272 C MET A 85 14.631 7.331 -5.616 1.00 10.49 C ATOM 1273 O MET A 85 15.515 8.118 -5.281 1.00 11.09 O ATOM 1274 CB MET A 85 12.279 7.468 -4.815 1.00 8.75 C ATOM 1275 CG MET A 85 10.815 7.496 -5.209 1.00 7.71 C ATOM 1276 SD MET A 85 10.325 9.037 -6.001 1.00 7.19 S ATOM 1277 CE MET A 85 9.223 9.708 -4.761 1.00 6.73 C ATOM 0 H MET A 85 12.139 6.437 -7.087 1.00 9.31 H new ATOM 0 HA MET A 85 13.249 8.903 -6.079 1.00 9.45 H new ATOM 0 HB2 MET A 85 12.526 6.474 -4.442 1.00 8.75 H new ATOM 0 HB3 MET A 85 12.437 8.166 -3.993 1.00 8.75 H new ATOM 0 HG2 MET A 85 10.611 6.666 -5.886 1.00 7.71 H new ATOM 0 HG3 MET A 85 10.203 7.341 -4.321 1.00 7.71 H new ATOM 0 HE1 MET A 85 9.001 10.749 -4.996 1.00 6.73 H new ATOM 0 HE2 MET A 85 8.297 9.133 -4.748 1.00 6.73 H new ATOM 0 HE3 MET A 85 9.699 9.651 -3.782 1.00 6.73 H new ATOM 1287 N ARG A 86 14.814 6.019 -5.701 1.00 10.82 N ATOM 1288 CA ARG A 86 16.099 5.402 -5.424 1.00 11.88 C ATOM 1289 C ARG A 86 17.178 6.020 -6.304 1.00 12.66 C ATOM 1290 O ARG A 86 18.305 6.241 -5.860 1.00 13.43 O ATOM 1291 CB ARG A 86 16.005 3.889 -5.654 1.00 12.21 C ATOM 1292 CG ARG A 86 17.304 3.245 -6.107 1.00 13.16 C ATOM 1293 CD ARG A 86 17.113 1.765 -6.398 1.00 13.63 C ATOM 1294 NE ARG A 86 18.292 1.167 -7.017 1.00 14.25 N ATOM 1295 CZ ARG A 86 18.266 0.025 -7.697 1.00 14.86 C ATOM 1296 NH1 ARG A 86 17.124 -0.636 -7.848 1.00 14.96 N ATOM 1297 NH2 ARG A 86 19.379 -0.459 -8.230 1.00 15.52 N ATOM 0 H ARG A 86 14.081 5.360 -5.962 1.00 10.82 H new ATOM 0 HA ARG A 86 16.369 5.579 -4.383 1.00 11.88 H new ATOM 0 HB2 ARG A 86 15.679 3.412 -4.730 1.00 12.21 H new ATOM 0 HB3 ARG A 86 15.236 3.694 -6.401 1.00 12.21 H new ATOM 0 HG2 ARG A 86 17.670 3.750 -7.001 1.00 13.16 H new ATOM 0 HG3 ARG A 86 18.064 3.371 -5.336 1.00 13.16 H new ATOM 0 HD2 ARG A 86 16.887 1.240 -5.470 1.00 13.63 H new ATOM 0 HD3 ARG A 86 16.254 1.634 -7.056 1.00 13.63 H new ATOM 0 HE ARG A 86 19.184 1.652 -6.923 1.00 14.25 H new ATOM 0 HH11 ARG A 86 16.264 -0.268 -7.442 1.00 14.96 H new ATOM 0 HH12 ARG A 86 17.107 -1.512 -8.370 1.00 14.96 H new ATOM 0 HH21 ARG A 86 20.259 0.045 -8.119 1.00 15.52 H new ATOM 0 HH22 ARG A 86 19.356 -1.336 -8.751 1.00 15.52 H new ATOM 1311 N GLU A 87 16.822 6.297 -7.554 1.00 12.58 N ATOM 1312 CA GLU A 87 17.753 6.906 -8.492 1.00 13.44 C ATOM 1313 C GLU A 87 18.119 8.313 -8.033 1.00 13.54 C ATOM 1314 O GLU A 87 19.294 8.681 -7.997 1.00 14.45 O ATOM 1315 CB GLU A 87 17.142 6.954 -9.894 1.00 13.42 C ATOM 1316 CG GLU A 87 16.792 5.585 -10.454 1.00 14.12 C ATOM 1317 CD GLU A 87 16.245 5.656 -11.866 1.00 14.57 C ATOM 1318 OE1 GLU A 87 15.018 5.826 -12.019 1.00 14.85 O ATOM 1319 OE2 GLU A 87 17.044 5.542 -12.819 1.00 14.77 O ATOM 0 H GLU A 87 15.896 6.109 -7.939 1.00 12.58 H new ATOM 0 HA GLU A 87 18.658 6.299 -8.525 1.00 13.44 H new ATOM 0 HB2 GLU A 87 16.241 7.567 -9.868 1.00 13.42 H new ATOM 0 HB3 GLU A 87 17.842 7.445 -10.570 1.00 13.42 H new ATOM 0 HG2 GLU A 87 17.681 4.954 -10.444 1.00 14.12 H new ATOM 0 HG3 GLU A 87 16.056 5.109 -9.806 1.00 14.12 H new ATOM 1326 N ALA A 88 17.103 9.094 -7.676 1.00 12.70 N ATOM 1327 CA ALA A 88 17.311 10.460 -7.213 1.00 12.92 C ATOM 1328 C ALA A 88 18.070 10.488 -5.888 1.00 13.38 C ATOM 1329 O ALA A 88 18.720 11.480 -5.558 1.00 14.11 O ATOM 1330 CB ALA A 88 15.978 11.180 -7.074 1.00 12.02 C ATOM 0 H ALA A 88 16.126 8.802 -7.699 1.00 12.70 H new ATOM 0 HA ALA A 88 17.917 10.977 -7.957 1.00 12.92 H new ATOM 0 HB1 ALA A 88 16.149 12.199 -6.727 1.00 12.02 H new ATOM 0 HB2 ALA A 88 15.476 11.205 -8.041 1.00 12.02 H new ATOM 0 HB3 ALA A 88 15.353 10.652 -6.354 1.00 12.02 H new ATOM 1336 N PHE A 89 17.984 9.396 -5.134 1.00 13.10 N ATOM 1337 CA PHE A 89 18.663 9.302 -3.844 1.00 13.68 C ATOM 1338 C PHE A 89 20.163 9.119 -4.033 1.00 14.81 C ATOM 1339 O PHE A 89 20.969 9.790 -3.388 1.00 15.53 O ATOM 1340 CB PHE A 89 18.093 8.140 -3.027 1.00 13.32 C ATOM 1341 CG PHE A 89 18.747 7.968 -1.683 1.00 14.09 C ATOM 1342 CD1 PHE A 89 18.488 8.859 -0.653 1.00 14.41 C ATOM 1343 CD2 PHE A 89 19.620 6.918 -1.451 1.00 14.63 C ATOM 1344 CE1 PHE A 89 19.089 8.703 0.583 1.00 15.22 C ATOM 1345 CE2 PHE A 89 20.223 6.758 -0.219 1.00 15.44 C ATOM 1346 CZ PHE A 89 19.951 7.651 0.802 1.00 15.73 C ATOM 0 H PHE A 89 17.452 8.565 -5.393 1.00 13.10 H new ATOM 0 HA PHE A 89 18.494 10.233 -3.303 1.00 13.68 H new ATOM 0 HB2 PHE A 89 17.024 8.298 -2.884 1.00 13.32 H new ATOM 0 HB3 PHE A 89 18.205 7.217 -3.597 1.00 13.32 H new ATOM 0 HD1 PHE A 89 17.810 9.683 -0.817 1.00 14.41 H new ATOM 0 HD2 PHE A 89 19.832 6.216 -2.244 1.00 14.63 H new ATOM 0 HE1 PHE A 89 18.882 9.406 1.376 1.00 15.22 H new ATOM 0 HE2 PHE A 89 20.905 5.938 -0.053 1.00 15.44 H new ATOM 0 HZ PHE A 89 20.414 7.524 1.769 1.00 15.73 H new ATOM 1356 N LYS A 90 20.530 8.203 -4.921 1.00 15.06 N ATOM 1357 CA LYS A 90 21.931 7.924 -5.205 1.00 16.18 C ATOM 1358 C LYS A 90 22.635 9.167 -5.739 1.00 16.76 C ATOM 1359 O LYS A 90 23.793 9.428 -5.412 1.00 17.66 O ATOM 1360 CB LYS A 90 22.041 6.791 -6.224 1.00 16.38 C ATOM 1361 CG LYS A 90 21.431 5.481 -5.745 1.00 16.21 C ATOM 1362 CD LYS A 90 21.339 4.456 -6.862 1.00 16.55 C ATOM 1363 CE LYS A 90 22.695 4.178 -7.495 1.00 16.86 C ATOM 1364 NZ LYS A 90 23.667 3.626 -6.512 1.00 17.18 N ATOM 0 H LYS A 90 19.872 7.639 -5.459 1.00 15.06 H new ATOM 0 HA LYS A 90 22.415 7.624 -4.276 1.00 16.18 H new ATOM 0 HB2 LYS A 90 21.549 7.095 -7.148 1.00 16.38 H new ATOM 0 HB3 LYS A 90 23.092 6.628 -6.461 1.00 16.38 H new ATOM 0 HG2 LYS A 90 22.032 5.077 -4.931 1.00 16.21 H new ATOM 0 HG3 LYS A 90 20.436 5.670 -5.343 1.00 16.21 H new ATOM 0 HD2 LYS A 90 20.926 3.527 -6.469 1.00 16.55 H new ATOM 0 HD3 LYS A 90 20.649 4.814 -7.626 1.00 16.55 H new ATOM 0 HE2 LYS A 90 22.573 3.474 -8.319 1.00 16.86 H new ATOM 0 HE3 LYS A 90 23.093 5.100 -7.920 1.00 16.86 H new ATOM 0 HZ1 LYS A 90 24.549 3.372 -7.001 1.00 17.18 H new ATOM 0 HZ2 LYS A 90 23.868 4.341 -5.784 1.00 17.18 H new ATOM 0 HZ3 LYS A 90 23.264 2.779 -6.063 1.00 17.18 H new ATOM 1378 N ILE A 91 21.923 9.927 -6.563 1.00 16.32 N ATOM 1379 CA ILE A 91 22.470 11.141 -7.156 1.00 16.96 C ATOM 1380 C ILE A 91 22.628 12.243 -6.110 1.00 17.21 C ATOM 1381 O ILE A 91 23.668 12.900 -6.042 1.00 18.15 O ATOM 1382 CB ILE A 91 21.579 11.656 -8.304 1.00 16.50 C ATOM 1383 CG1 ILE A 91 21.392 10.565 -9.362 1.00 16.43 C ATOM 1384 CG2 ILE A 91 22.183 12.905 -8.930 1.00 17.34 C ATOM 1385 CD1 ILE A 91 20.326 10.889 -10.388 1.00 16.26 C ATOM 0 H ILE A 91 20.962 9.723 -6.836 1.00 16.32 H new ATOM 0 HA ILE A 91 23.451 10.884 -7.556 1.00 16.96 H new ATOM 0 HB ILE A 91 20.603 11.915 -7.894 1.00 16.50 H new ATOM 0 HG12 ILE A 91 22.340 10.402 -9.875 1.00 16.43 H new ATOM 0 HG13 ILE A 91 21.134 9.630 -8.865 1.00 16.43 H new ATOM 0 HG21 ILE A 91 21.540 13.254 -9.738 1.00 17.34 H new ATOM 0 HG22 ILE A 91 22.271 13.685 -8.174 1.00 17.34 H new ATOM 0 HG23 ILE A 91 23.171 12.672 -9.327 1.00 17.34 H new ATOM 0 HD11 ILE A 91 20.250 10.071 -11.104 1.00 16.26 H new ATOM 0 HD12 ILE A 91 19.367 11.023 -9.887 1.00 16.26 H new ATOM 0 HD13 ILE A 91 20.592 11.807 -10.912 1.00 16.26 H new ATOM 1397 N PHE A 92 21.593 12.440 -5.298 1.00 16.44 N ATOM 1398 CA PHE A 92 21.621 13.466 -4.258 1.00 16.75 C ATOM 1399 C PHE A 92 22.643 13.126 -3.179 1.00 17.52 C ATOM 1400 O PHE A 92 23.175 14.013 -2.512 1.00 18.34 O ATOM 1401 CB PHE A 92 20.235 13.630 -3.631 1.00 15.83 C ATOM 1402 CG PHE A 92 19.552 14.912 -4.013 1.00 15.63 C ATOM 1403 CD1 PHE A 92 19.792 16.079 -3.306 1.00 15.79 C ATOM 1404 CD2 PHE A 92 18.669 14.949 -5.080 1.00 15.41 C ATOM 1405 CE1 PHE A 92 19.164 17.258 -3.655 1.00 15.74 C ATOM 1406 CE2 PHE A 92 18.038 16.125 -5.435 1.00 15.39 C ATOM 1407 CZ PHE A 92 18.290 17.284 -4.719 1.00 15.56 C ATOM 0 H PHE A 92 20.726 11.904 -5.339 1.00 16.44 H new ATOM 0 HA PHE A 92 21.914 14.407 -4.725 1.00 16.75 H new ATOM 0 HB2 PHE A 92 19.608 12.790 -3.931 1.00 15.83 H new ATOM 0 HB3 PHE A 92 20.328 13.587 -2.546 1.00 15.83 H new ATOM 0 HD1 PHE A 92 20.478 16.066 -2.472 1.00 15.79 H new ATOM 0 HD2 PHE A 92 18.472 14.047 -5.641 1.00 15.41 H new ATOM 0 HE1 PHE A 92 19.358 18.160 -3.094 1.00 15.74 H new ATOM 0 HE2 PHE A 92 17.351 16.141 -6.268 1.00 15.39 H new ATOM 0 HZ PHE A 92 17.802 18.207 -4.995 1.00 15.56 H new ATOM 1417 N ASP A 93 22.913 11.836 -3.014 1.00 17.35 N ATOM 1418 CA ASP A 93 23.876 11.378 -2.021 1.00 18.13 C ATOM 1419 C ASP A 93 25.239 11.161 -2.669 1.00 19.15 C ATOM 1420 O ASP A 93 25.517 10.092 -3.212 1.00 19.29 O ATOM 1421 CB ASP A 93 23.388 10.084 -1.365 1.00 17.78 C ATOM 1422 CG ASP A 93 24.320 9.604 -0.269 1.00 18.61 C ATOM 1423 OD1 ASP A 93 24.822 10.453 0.496 1.00 18.94 O ATOM 1424 OD2 ASP A 93 24.548 8.378 -0.178 1.00 18.99 O ATOM 0 H ASP A 93 22.478 11.089 -3.556 1.00 17.35 H new ATOM 0 HA ASP A 93 23.973 12.143 -1.251 1.00 18.13 H new ATOM 0 HB2 ASP A 93 22.394 10.244 -0.948 1.00 17.78 H new ATOM 0 HB3 ASP A 93 23.294 9.308 -2.124 1.00 17.78 H new ATOM 1429 N ARG A 94 26.085 12.185 -2.608 1.00 19.94 N ATOM 1430 CA ARG A 94 27.417 12.117 -3.199 1.00 20.98 C ATOM 1431 C ARG A 94 28.319 11.159 -2.427 1.00 21.56 C ATOM 1432 O ARG A 94 29.406 10.810 -2.888 1.00 22.25 O ATOM 1433 CB ARG A 94 28.048 13.508 -3.241 1.00 21.74 C ATOM 1434 CG ARG A 94 27.267 14.501 -4.084 1.00 21.43 C ATOM 1435 CD ARG A 94 26.805 15.688 -3.257 1.00 21.19 C ATOM 1436 NE ARG A 94 27.928 16.399 -2.652 1.00 21.42 N ATOM 1437 CZ ARG A 94 28.733 17.217 -3.322 1.00 21.61 C ATOM 1438 NH1 ARG A 94 28.532 17.442 -4.614 1.00 21.58 N ATOM 1439 NH2 ARG A 94 29.740 17.813 -2.698 1.00 21.94 N ATOM 0 H ARG A 94 25.871 13.073 -2.154 1.00 19.94 H new ATOM 0 HA ARG A 94 27.312 11.738 -4.216 1.00 20.98 H new ATOM 0 HB2 ARG A 94 28.130 13.892 -2.224 1.00 21.74 H new ATOM 0 HB3 ARG A 94 29.061 13.427 -3.634 1.00 21.74 H new ATOM 0 HG2 ARG A 94 27.890 14.850 -4.908 1.00 21.43 H new ATOM 0 HG3 ARG A 94 26.403 14.005 -4.526 1.00 21.43 H new ATOM 0 HD2 ARG A 94 26.239 16.373 -3.889 1.00 21.19 H new ATOM 0 HD3 ARG A 94 26.129 15.344 -2.474 1.00 21.19 H new ATOM 0 HE ARG A 94 28.105 16.260 -1.657 1.00 21.42 H new ATOM 0 HH11 ARG A 94 27.757 16.986 -5.097 1.00 21.58 H new ATOM 0 HH12 ARG A 94 29.152 18.071 -5.125 1.00 21.58 H new ATOM 0 HH21 ARG A 94 29.896 17.643 -1.704 1.00 21.94 H new ATOM 0 HH22 ARG A 94 30.358 18.441 -3.212 1.00 21.94 H new ATOM 1453 N ASP A 95 27.864 10.739 -1.252 1.00 21.37 N ATOM 1454 CA ASP A 95 28.634 9.822 -0.421 1.00 21.99 C ATOM 1455 C ASP A 95 28.097 8.400 -0.537 1.00 21.37 C ATOM 1456 O ASP A 95 27.015 8.176 -1.078 1.00 20.39 O ATOM 1457 CB ASP A 95 28.591 10.264 1.042 1.00 22.48 C ATOM 1458 CG ASP A 95 29.021 11.705 1.229 1.00 22.92 C ATOM 1459 OD1 ASP A 95 30.072 12.084 0.672 1.00 23.34 O ATOM 1460 OD2 ASP A 95 28.308 12.452 1.931 1.00 22.92 O ATOM 0 H ASP A 95 26.967 11.018 -0.854 1.00 21.37 H new ATOM 0 HA ASP A 95 29.665 9.839 -0.774 1.00 21.99 H new ATOM 0 HB2 ASP A 95 27.579 10.138 1.426 1.00 22.48 H new ATOM 0 HB3 ASP A 95 29.239 9.616 1.633 1.00 22.48 H new ATOM 1465 N GLY A 96 28.866 7.444 -0.029 1.00 22.00 N ATOM 1466 CA GLY A 96 28.452 6.055 -0.073 1.00 21.64 C ATOM 1467 C GLY A 96 27.872 5.592 1.247 1.00 21.55 C ATOM 1468 O GLY A 96 27.559 4.413 1.418 1.00 21.40 O ATOM 0 H GLY A 96 29.771 7.607 0.413 1.00 22.00 H new ATOM 0 HA2 GLY A 96 27.710 5.923 -0.861 1.00 21.64 H new ATOM 0 HA3 GLY A 96 29.307 5.430 -0.332 1.00 21.64 H new ATOM 1472 N ASP A 97 27.731 6.526 2.185 1.00 21.75 N ATOM 1473 CA ASP A 97 27.187 6.216 3.502 1.00 21.82 C ATOM 1474 C ASP A 97 25.693 5.916 3.427 1.00 20.80 C ATOM 1475 O ASP A 97 25.172 5.121 4.209 1.00 20.85 O ATOM 1476 CB ASP A 97 27.443 7.370 4.475 1.00 22.28 C ATOM 1477 CG ASP A 97 27.307 8.733 3.821 1.00 21.72 C ATOM 1478 OD1 ASP A 97 26.236 9.015 3.239 1.00 21.34 O ATOM 1479 OD2 ASP A 97 28.270 9.523 3.897 1.00 21.74 O ATOM 0 H ASP A 97 27.987 7.505 2.056 1.00 21.75 H new ATOM 0 HA ASP A 97 27.695 5.324 3.869 1.00 21.82 H new ATOM 0 HB2 ASP A 97 26.742 7.300 5.307 1.00 22.28 H new ATOM 0 HB3 ASP A 97 28.445 7.271 4.893 1.00 22.28 H new ATOM 1484 N GLY A 98 25.012 6.557 2.484 1.00 19.93 N ATOM 1485 CA GLY A 98 23.585 6.341 2.324 1.00 18.92 C ATOM 1486 C GLY A 98 22.755 7.336 3.112 1.00 18.54 C ATOM 1487 O GLY A 98 21.628 7.038 3.507 1.00 17.94 O ATOM 0 H GLY A 98 25.421 7.222 1.828 1.00 19.93 H new ATOM 0 HA2 GLY A 98 23.326 6.413 1.268 1.00 18.92 H new ATOM 0 HA3 GLY A 98 23.336 5.330 2.645 1.00 18.92 H new ATOM 1491 N PHE A 99 23.316 8.519 3.344 1.00 19.01 N ATOM 1492 CA PHE A 99 22.623 9.566 4.087 1.00 18.88 C ATOM 1493 C PHE A 99 22.868 10.930 3.449 1.00 18.97 C ATOM 1494 O PHE A 99 23.942 11.179 2.898 1.00 19.56 O ATOM 1495 CB PHE A 99 23.094 9.585 5.543 1.00 19.81 C ATOM 1496 CG PHE A 99 22.845 8.299 6.279 1.00 19.89 C ATOM 1497 CD1 PHE A 99 21.656 8.095 6.959 1.00 19.90 C ATOM 1498 CD2 PHE A 99 23.800 7.294 6.291 1.00 20.07 C ATOM 1499 CE1 PHE A 99 21.422 6.913 7.636 1.00 20.10 C ATOM 1500 CE2 PHE A 99 23.572 6.111 6.966 1.00 20.28 C ATOM 1501 CZ PHE A 99 22.390 5.918 7.639 1.00 20.30 C ATOM 0 H PHE A 99 24.251 8.777 3.027 1.00 19.01 H new ATOM 0 HA PHE A 99 21.555 9.352 4.060 1.00 18.88 H new ATOM 0 HB2 PHE A 99 24.161 9.805 5.567 1.00 19.81 H new ATOM 0 HB3 PHE A 99 22.589 10.396 6.068 1.00 19.81 H new ATOM 0 HD1 PHE A 99 20.903 8.869 6.960 1.00 19.90 H new ATOM 0 HD2 PHE A 99 24.733 7.438 5.766 1.00 20.07 H new ATOM 0 HE1 PHE A 99 20.490 6.764 8.161 1.00 20.10 H new ATOM 0 HE2 PHE A 99 24.324 5.336 6.965 1.00 20.28 H new ATOM 0 HZ PHE A 99 22.214 4.994 8.169 1.00 20.30 H new ATOM 1511 N ILE A 100 21.877 11.814 3.529 1.00 18.48 N ATOM 1512 CA ILE A 100 22.005 13.146 2.959 1.00 18.67 C ATOM 1513 C ILE A 100 22.000 14.214 4.046 1.00 19.37 C ATOM 1514 O ILE A 100 21.144 14.218 4.931 1.00 19.21 O ATOM 1515 CB ILE A 100 20.876 13.439 1.952 1.00 17.64 C ATOM 1516 CG1 ILE A 100 20.880 12.387 0.839 1.00 16.97 C ATOM 1517 CG2 ILE A 100 21.032 14.839 1.370 1.00 18.04 C ATOM 1518 CD1 ILE A 100 19.734 12.530 -0.138 1.00 15.92 C ATOM 0 H ILE A 100 20.981 11.630 3.981 1.00 18.48 H new ATOM 0 HA ILE A 100 22.960 13.175 2.435 1.00 18.67 H new ATOM 0 HB ILE A 100 19.919 13.392 2.472 1.00 17.64 H new ATOM 0 HG12 ILE A 100 21.821 12.452 0.293 1.00 16.97 H new ATOM 0 HG13 ILE A 100 20.840 11.395 1.289 1.00 16.97 H new ATOM 0 HG21 ILE A 100 20.227 15.030 0.661 1.00 18.04 H new ATOM 0 HG22 ILE A 100 20.990 15.574 2.174 1.00 18.04 H new ATOM 0 HG23 ILE A 100 21.992 14.916 0.859 1.00 18.04 H new ATOM 0 HD11 ILE A 100 19.804 11.751 -0.897 1.00 15.92 H new ATOM 0 HD12 ILE A 100 18.788 12.434 0.395 1.00 15.92 H new ATOM 0 HD13 ILE A 100 19.784 13.508 -0.617 1.00 15.92 H new ATOM 1530 N SER A 101 22.968 15.117 3.964 1.00 20.25 N ATOM 1531 CA SER A 101 23.104 16.204 4.925 1.00 21.07 C ATOM 1532 C SER A 101 22.855 17.544 4.238 1.00 21.23 C ATOM 1533 O SER A 101 22.973 17.637 3.020 1.00 20.98 O ATOM 1534 CB SER A 101 24.498 16.187 5.555 1.00 22.16 C ATOM 1535 OG SER A 101 25.506 16.332 4.570 1.00 22.49 O ATOM 0 H SER A 101 23.679 15.117 3.232 1.00 20.25 H new ATOM 0 HA SER A 101 22.364 16.067 5.714 1.00 21.07 H new ATOM 0 HB2 SER A 101 24.580 16.992 6.285 1.00 22.16 H new ATOM 0 HB3 SER A 101 24.645 15.251 6.095 1.00 22.16 H new ATOM 0 HG SER A 101 25.570 15.508 4.043 1.00 22.49 H new ATOM 1541 N PRO A 102 22.489 18.595 4.995 1.00 21.74 N ATOM 1542 CA PRO A 102 22.223 19.915 4.417 1.00 22.05 C ATOM 1543 C PRO A 102 23.328 20.343 3.459 1.00 22.55 C ATOM 1544 O PRO A 102 23.082 21.047 2.479 1.00 22.43 O ATOM 1545 CB PRO A 102 22.179 20.835 5.637 1.00 23.00 C ATOM 1546 CG PRO A 102 21.761 19.950 6.760 1.00 22.78 C ATOM 1547 CD PRO A 102 22.346 18.596 6.463 1.00 22.19 C ATOM 0 HA PRO A 102 21.306 19.934 3.828 1.00 22.05 H new ATOM 0 HB2 PRO A 102 23.153 21.286 5.829 1.00 23.00 H new ATOM 0 HB3 PRO A 102 21.472 21.652 5.492 1.00 23.00 H new ATOM 0 HG2 PRO A 102 22.126 20.332 7.714 1.00 22.78 H new ATOM 0 HG3 PRO A 102 20.675 19.898 6.832 1.00 22.78 H new ATOM 0 HD2 PRO A 102 23.306 18.456 6.960 1.00 22.19 H new ATOM 0 HD3 PRO A 102 21.692 17.793 6.803 1.00 22.19 H new ATOM 1555 N ALA A 103 24.546 19.900 3.749 1.00 23.17 N ATOM 1556 CA ALA A 103 25.700 20.223 2.918 1.00 23.77 C ATOM 1557 C ALA A 103 25.608 19.536 1.559 1.00 23.02 C ATOM 1558 O ALA A 103 25.989 20.104 0.535 1.00 23.22 O ATOM 1559 CB ALA A 103 26.981 19.813 3.624 1.00 24.56 C ATOM 0 H ALA A 103 24.760 19.314 4.556 1.00 23.17 H new ATOM 0 HA ALA A 103 25.710 21.300 2.753 1.00 23.77 H new ATOM 0 HB1 ALA A 103 27.837 20.058 2.996 1.00 24.56 H new ATOM 0 HB2 ALA A 103 27.061 20.347 4.571 1.00 24.56 H new ATOM 0 HB3 ALA A 103 26.965 18.740 3.813 1.00 24.56 H new ATOM 1565 N GLU A 104 25.089 18.314 1.560 1.00 22.23 N ATOM 1566 CA GLU A 104 24.949 17.533 0.340 1.00 21.53 C ATOM 1567 C GLU A 104 23.715 17.981 -0.421 1.00 20.75 C ATOM 1568 O GLU A 104 23.704 18.021 -1.651 1.00 20.59 O ATOM 1569 CB GLU A 104 24.840 16.045 0.674 1.00 20.94 C ATOM 1570 CG GLU A 104 26.147 15.420 1.130 1.00 21.74 C ATOM 1571 CD GLU A 104 25.987 13.962 1.522 1.00 21.28 C ATOM 1572 OE1 GLU A 104 26.010 13.098 0.620 1.00 20.84 O ATOM 1573 OE2 GLU A 104 25.842 13.684 2.730 1.00 21.43 O ATOM 0 H GLU A 104 24.756 17.841 2.400 1.00 22.23 H new ATOM 0 HA GLU A 104 25.831 17.691 -0.281 1.00 21.53 H new ATOM 0 HB2 GLU A 104 24.092 15.912 1.456 1.00 20.94 H new ATOM 0 HB3 GLU A 104 24.480 15.511 -0.205 1.00 20.94 H new ATOM 0 HG2 GLU A 104 26.883 15.499 0.330 1.00 21.74 H new ATOM 0 HG3 GLU A 104 26.538 15.981 1.979 1.00 21.74 H new ATOM 1580 N LEU A 105 22.677 18.317 0.330 1.00 20.36 N ATOM 1581 CA LEU A 105 21.428 18.768 -0.248 1.00 19.67 C ATOM 1582 C LEU A 105 21.644 20.053 -1.032 1.00 20.33 C ATOM 1583 O LEU A 105 21.135 20.211 -2.140 1.00 19.95 O ATOM 1584 CB LEU A 105 20.396 18.989 0.856 1.00 19.42 C ATOM 1585 CG LEU A 105 18.949 19.018 0.379 1.00 18.62 C ATOM 1586 CD1 LEU A 105 18.015 18.542 1.480 1.00 17.90 C ATOM 1587 CD2 LEU A 105 18.566 20.417 -0.076 1.00 18.59 C ATOM 0 H LEU A 105 22.680 18.284 1.349 1.00 20.36 H new ATOM 0 HA LEU A 105 21.058 18.004 -0.931 1.00 19.67 H new ATOM 0 HB2 LEU A 105 20.504 18.198 1.599 1.00 19.42 H new ATOM 0 HB3 LEU A 105 20.618 19.931 1.358 1.00 19.42 H new ATOM 0 HG LEU A 105 18.853 18.341 -0.470 1.00 18.62 H new ATOM 0 HD11 LEU A 105 16.986 18.569 1.121 1.00 17.90 H new ATOM 0 HD12 LEU A 105 18.274 17.521 1.761 1.00 17.90 H new ATOM 0 HD13 LEU A 105 18.114 19.194 2.348 1.00 17.90 H new ATOM 0 HD21 LEU A 105 17.529 20.419 -0.413 1.00 18.59 H new ATOM 0 HD22 LEU A 105 18.679 21.113 0.755 1.00 18.59 H new ATOM 0 HD23 LEU A 105 19.215 20.723 -0.896 1.00 18.59 H new ATOM 1599 N ARG A 106 22.412 20.966 -0.450 1.00 21.40 N ATOM 1600 CA ARG A 106 22.704 22.237 -1.091 1.00 22.20 C ATOM 1601 C ARG A 106 23.533 22.031 -2.355 1.00 22.44 C ATOM 1602 O ARG A 106 23.155 22.481 -3.434 1.00 22.57 O ATOM 1603 CB ARG A 106 23.451 23.163 -0.129 1.00 23.35 C ATOM 1604 CG ARG A 106 23.873 24.474 -0.769 1.00 24.22 C ATOM 1605 CD ARG A 106 24.867 25.232 0.092 1.00 25.21 C ATOM 1606 NE ARG A 106 25.117 26.578 -0.418 1.00 25.76 N ATOM 1607 CZ ARG A 106 25.977 27.428 0.137 1.00 26.69 C ATOM 1608 NH1 ARG A 106 26.664 27.074 1.213 1.00 27.16 N ATOM 1609 NH2 ARG A 106 26.149 28.635 -0.385 1.00 27.19 N ATOM 0 H ARG A 106 22.843 20.847 0.467 1.00 21.40 H new ATOM 0 HA ARG A 106 21.756 22.699 -1.366 1.00 22.20 H new ATOM 0 HB2 ARG A 106 22.814 23.374 0.730 1.00 23.35 H new ATOM 0 HB3 ARG A 106 24.335 22.649 0.248 1.00 23.35 H new ATOM 0 HG2 ARG A 106 24.316 24.275 -1.745 1.00 24.22 H new ATOM 0 HG3 ARG A 106 22.993 25.094 -0.939 1.00 24.22 H new ATOM 0 HD2 ARG A 106 24.489 25.295 1.112 1.00 25.21 H new ATOM 0 HD3 ARG A 106 25.806 24.680 0.134 1.00 25.21 H new ATOM 0 HE ARG A 106 24.604 26.883 -1.245 1.00 25.76 H new ATOM 0 HH11 ARG A 106 26.535 26.147 1.619 1.00 27.16 H new ATOM 0 HH12 ARG A 106 27.322 27.728 1.636 1.00 27.16 H new ATOM 0 HH21 ARG A 106 25.622 28.913 -1.213 1.00 27.19 H new ATOM 0 HH22 ARG A 106 26.809 29.286 0.041 1.00 27.19 H new ATOM 1623 N PHE A 107 24.664 21.345 -2.209 1.00 22.61 N ATOM 1624 CA PHE A 107 25.561 21.083 -3.332 1.00 22.97 C ATOM 1625 C PHE A 107 24.814 20.524 -4.542 1.00 22.14 C ATOM 1626 O PHE A 107 24.980 21.014 -5.659 1.00 22.53 O ATOM 1627 CB PHE A 107 26.669 20.117 -2.913 1.00 23.24 C ATOM 1628 CG PHE A 107 27.937 20.805 -2.498 1.00 23.93 C ATOM 1629 CD1 PHE A 107 27.997 21.515 -1.311 1.00 24.48 C ATOM 1630 CD2 PHE A 107 29.069 20.743 -3.295 1.00 24.11 C ATOM 1631 CE1 PHE A 107 29.161 22.148 -0.923 1.00 25.19 C ATOM 1632 CE2 PHE A 107 30.237 21.375 -2.914 1.00 24.82 C ATOM 1633 CZ PHE A 107 30.286 22.081 -1.737 1.00 25.36 C ATOM 0 H PHE A 107 24.982 20.959 -1.320 1.00 22.61 H new ATOM 0 HA PHE A 107 26.001 22.036 -3.624 1.00 22.97 H new ATOM 0 HB2 PHE A 107 26.311 19.502 -2.087 1.00 23.24 H new ATOM 0 HB3 PHE A 107 26.885 19.443 -3.742 1.00 23.24 H new ATOM 0 HD1 PHE A 107 27.122 21.574 -0.681 1.00 24.48 H new ATOM 0 HD2 PHE A 107 29.038 20.194 -4.225 1.00 24.11 H new ATOM 0 HE1 PHE A 107 29.197 22.693 0.009 1.00 25.19 H new ATOM 0 HE2 PHE A 107 31.113 21.314 -3.543 1.00 24.82 H new ATOM 0 HZ PHE A 107 31.196 22.583 -1.444 1.00 25.36 H new ATOM 1643 N VAL A 108 23.995 19.503 -4.318 1.00 21.06 N ATOM 1644 CA VAL A 108 23.241 18.885 -5.403 1.00 20.23 C ATOM 1645 C VAL A 108 22.237 19.858 -6.013 1.00 20.08 C ATOM 1646 O VAL A 108 22.195 20.028 -7.229 1.00 20.21 O ATOM 1647 CB VAL A 108 22.504 17.617 -4.934 1.00 19.12 C ATOM 1648 CG1 VAL A 108 21.706 17.005 -6.077 1.00 18.33 C ATOM 1649 CG2 VAL A 108 23.491 16.608 -4.371 1.00 19.13 C ATOM 0 H VAL A 108 23.836 19.087 -3.400 1.00 21.06 H new ATOM 0 HA VAL A 108 23.969 18.605 -6.165 1.00 20.23 H new ATOM 0 HB VAL A 108 21.807 17.897 -4.144 1.00 19.12 H new ATOM 0 HG11 VAL A 108 21.193 16.110 -5.724 1.00 18.33 H new ATOM 0 HG12 VAL A 108 20.972 17.727 -6.436 1.00 18.33 H new ATOM 0 HG13 VAL A 108 22.381 16.739 -6.891 1.00 18.33 H new ATOM 0 HG21 VAL A 108 22.954 15.717 -4.044 1.00 19.13 H new ATOM 0 HG22 VAL A 108 24.212 16.335 -5.142 1.00 19.13 H new ATOM 0 HG23 VAL A 108 24.016 17.047 -3.523 1.00 19.13 H new ATOM 1659 N MET A 109 21.428 20.493 -5.168 1.00 19.93 N ATOM 1660 CA MET A 109 20.429 21.445 -5.643 1.00 19.90 C ATOM 1661 C MET A 109 21.073 22.506 -6.532 1.00 20.93 C ATOM 1662 O MET A 109 20.499 22.914 -7.541 1.00 20.91 O ATOM 1663 CB MET A 109 19.710 22.101 -4.463 1.00 20.00 C ATOM 1664 CG MET A 109 18.804 21.147 -3.698 1.00 18.99 C ATOM 1665 SD MET A 109 17.065 21.317 -4.145 1.00 18.30 S ATOM 1666 CE MET A 109 17.095 20.807 -5.861 1.00 17.64 C ATOM 0 H MET A 109 21.445 20.366 -4.156 1.00 19.93 H new ATOM 0 HA MET A 109 19.695 20.901 -6.237 1.00 19.90 H new ATOM 0 HB2 MET A 109 20.452 22.512 -3.779 1.00 20.00 H new ATOM 0 HB3 MET A 109 19.116 22.938 -4.830 1.00 20.00 H new ATOM 0 HG2 MET A 109 19.123 20.122 -3.886 1.00 18.99 H new ATOM 0 HG3 MET A 109 18.918 21.325 -2.629 1.00 18.99 H new ATOM 0 HE1 MET A 109 16.076 20.637 -6.208 1.00 17.64 H new ATOM 0 HE2 MET A 109 17.559 21.587 -6.464 1.00 17.64 H new ATOM 0 HE3 MET A 109 17.669 19.885 -5.957 1.00 17.64 H new ATOM 1676 N ILE A 110 22.270 22.946 -6.151 1.00 21.91 N ATOM 1677 CA ILE A 110 22.997 23.949 -6.923 1.00 22.98 C ATOM 1678 C ILE A 110 23.496 23.348 -8.234 1.00 22.97 C ATOM 1679 O ILE A 110 23.632 24.045 -9.240 1.00 23.58 O ATOM 1680 CB ILE A 110 24.195 24.513 -6.128 1.00 24.01 C ATOM 1681 CG1 ILE A 110 23.713 25.143 -4.818 1.00 24.18 C ATOM 1682 CG2 ILE A 110 24.958 25.535 -6.961 1.00 25.13 C ATOM 1683 CD1 ILE A 110 24.838 25.554 -3.890 1.00 25.10 C ATOM 0 H ILE A 110 22.756 22.624 -5.314 1.00 21.91 H new ATOM 0 HA ILE A 110 22.307 24.766 -7.134 1.00 22.98 H new ATOM 0 HB ILE A 110 24.871 23.691 -5.892 1.00 24.01 H new ATOM 0 HG12 ILE A 110 23.105 26.018 -5.048 1.00 24.18 H new ATOM 0 HG13 ILE A 110 23.067 24.434 -4.300 1.00 24.18 H new ATOM 0 HG21 ILE A 110 25.798 25.921 -6.384 1.00 25.13 H new ATOM 0 HG22 ILE A 110 25.329 25.060 -7.869 1.00 25.13 H new ATOM 0 HG23 ILE A 110 24.293 26.357 -7.227 1.00 25.13 H new ATOM 0 HD11 ILE A 110 24.420 25.992 -2.984 1.00 25.10 H new ATOM 0 HD12 ILE A 110 25.433 24.679 -3.629 1.00 25.10 H new ATOM 0 HD13 ILE A 110 25.471 26.288 -4.389 1.00 25.10 H new ATOM 1695 N ASN A 111 23.762 22.044 -8.210 1.00 22.36 N ATOM 1696 CA ASN A 111 24.238 21.334 -9.392 1.00 22.40 C ATOM 1697 C ASN A 111 23.124 21.197 -10.425 1.00 21.78 C ATOM 1698 O ASN A 111 23.357 21.334 -11.626 1.00 22.21 O ATOM 1699 CB ASN A 111 24.761 19.948 -9.004 1.00 21.96 C ATOM 1700 CG ASN A 111 26.085 20.013 -8.267 1.00 22.60 C ATOM 1701 OD1 ASN A 111 26.883 20.927 -8.479 1.00 23.32 O ATOM 1702 ND2 ASN A 111 26.327 19.040 -7.397 1.00 22.44 N ATOM 0 H ASN A 111 23.655 21.458 -7.382 1.00 22.36 H new ATOM 0 HA ASN A 111 25.051 21.912 -9.831 1.00 22.40 H new ATOM 0 HB2 ASN A 111 24.024 19.447 -8.377 1.00 21.96 H new ATOM 0 HB3 ASN A 111 24.878 19.343 -9.903 1.00 21.96 H new ATOM 0 HD21 ASN A 111 27.202 19.030 -6.873 1.00 22.44 H new ATOM 0 HD22 ASN A 111 25.638 18.302 -7.252 1.00 22.44 H new ATOM 1709 N LEU A 112 21.914 20.928 -9.946 1.00 20.83 N ATOM 1710 CA LEU A 112 20.759 20.774 -10.822 1.00 20.19 C ATOM 1711 C LEU A 112 20.435 22.089 -11.521 1.00 20.95 C ATOM 1712 O LEU A 112 19.962 22.101 -12.658 1.00 21.07 O ATOM 1713 CB LEU A 112 19.545 20.299 -10.021 1.00 19.00 C ATOM 1714 CG LEU A 112 19.791 19.091 -9.114 1.00 18.25 C ATOM 1715 CD1 LEU A 112 18.513 18.704 -8.388 1.00 17.58 C ATOM 1716 CD2 LEU A 112 20.326 17.912 -9.914 1.00 17.84 C ATOM 0 H LEU A 112 21.708 20.812 -8.954 1.00 20.83 H new ATOM 0 HA LEU A 112 21.002 20.027 -11.578 1.00 20.19 H new ATOM 0 HB2 LEU A 112 19.189 21.127 -9.407 1.00 19.00 H new ATOM 0 HB3 LEU A 112 18.745 20.052 -10.718 1.00 19.00 H new ATOM 0 HG LEU A 112 20.542 19.368 -8.374 1.00 18.25 H new ATOM 0 HD11 LEU A 112 18.705 17.843 -7.747 1.00 17.58 H new ATOM 0 HD12 LEU A 112 18.173 19.541 -7.779 1.00 17.58 H new ATOM 0 HD13 LEU A 112 17.743 18.449 -9.117 1.00 17.58 H new ATOM 0 HD21 LEU A 112 20.493 17.066 -9.248 1.00 17.84 H new ATOM 0 HD22 LEU A 112 19.602 17.633 -10.680 1.00 17.84 H new ATOM 0 HD23 LEU A 112 21.267 18.191 -10.388 1.00 17.84 H new ATOM 1728 N GLY A 113 20.694 23.192 -10.829 1.00 21.57 N ATOM 1729 CA GLY A 113 20.424 24.502 -11.390 1.00 22.41 C ATOM 1730 C GLY A 113 19.567 25.353 -10.475 1.00 22.40 C ATOM 1731 O GLY A 113 19.422 26.557 -10.690 1.00 23.05 O ATOM 0 H GLY A 113 21.087 23.202 -9.888 1.00 21.57 H new ATOM 0 HA2 GLY A 113 21.367 25.014 -11.582 1.00 22.41 H new ATOM 0 HA3 GLY A 113 19.923 24.387 -12.351 1.00 22.41 H new ATOM 1735 N GLU A 114 18.995 24.725 -9.453 1.00 21.76 N ATOM 1736 CA GLU A 114 18.146 25.428 -8.499 1.00 21.80 C ATOM 1737 C GLU A 114 18.960 25.949 -7.318 1.00 22.59 C ATOM 1738 O GLU A 114 19.505 25.169 -6.536 1.00 22.48 O ATOM 1739 CB GLU A 114 17.037 24.502 -7.999 1.00 20.80 C ATOM 1740 CG GLU A 114 16.093 24.037 -9.095 1.00 20.26 C ATOM 1741 CD GLU A 114 15.374 25.188 -9.770 1.00 20.12 C ATOM 1742 OE1 GLU A 114 14.303 25.593 -9.272 1.00 20.27 O ATOM 1743 OE2 GLU A 114 15.883 25.687 -10.795 1.00 19.96 O ATOM 0 H GLU A 114 19.105 23.729 -9.264 1.00 21.76 H new ATOM 0 HA GLU A 114 17.700 26.281 -9.009 1.00 21.80 H new ATOM 0 HB2 GLU A 114 17.489 23.630 -7.526 1.00 20.80 H new ATOM 0 HB3 GLU A 114 16.462 25.019 -7.231 1.00 20.80 H new ATOM 0 HG2 GLU A 114 16.656 23.477 -9.842 1.00 20.26 H new ATOM 0 HG3 GLU A 114 15.358 23.353 -8.671 1.00 20.26 H new ATOM 1750 N LYS A 115 19.037 27.270 -7.195 1.00 23.45 N ATOM 1751 CA LYS A 115 19.782 27.895 -6.107 1.00 24.32 C ATOM 1752 C LYS A 115 18.926 27.987 -4.848 1.00 23.94 C ATOM 1753 O LYS A 115 17.821 28.528 -4.875 1.00 23.86 O ATOM 1754 CB LYS A 115 20.259 29.292 -6.515 1.00 25.48 C ATOM 1755 CG LYS A 115 21.424 29.287 -7.498 1.00 26.26 C ATOM 1756 CD LYS A 115 20.996 28.852 -8.892 1.00 26.75 C ATOM 1757 CE LYS A 115 20.058 29.863 -9.535 1.00 27.55 C ATOM 1758 NZ LYS A 115 19.748 29.515 -10.950 1.00 27.96 N ATOM 0 H LYS A 115 18.593 27.929 -7.835 1.00 23.45 H new ATOM 0 HA LYS A 115 20.651 27.273 -5.894 1.00 24.32 H new ATOM 0 HB2 LYS A 115 19.424 29.834 -6.959 1.00 25.48 H new ATOM 0 HB3 LYS A 115 20.555 29.840 -5.620 1.00 25.48 H new ATOM 0 HG2 LYS A 115 21.860 30.285 -7.548 1.00 26.26 H new ATOM 0 HG3 LYS A 115 22.203 28.617 -7.133 1.00 26.26 H new ATOM 0 HD2 LYS A 115 21.878 28.724 -9.520 1.00 26.75 H new ATOM 0 HD3 LYS A 115 20.502 27.882 -8.835 1.00 26.75 H new ATOM 0 HE2 LYS A 115 19.132 29.913 -8.963 1.00 27.55 H new ATOM 0 HE3 LYS A 115 20.511 30.854 -9.496 1.00 27.55 H new ATOM 0 HZ1 LYS A 115 18.877 30.001 -11.244 1.00 27.96 H new ATOM 0 HZ2 LYS A 115 20.534 29.814 -11.561 1.00 27.96 H new ATOM 0 HZ3 LYS A 115 19.616 28.487 -11.034 1.00 27.96 H new ATOM 1772 N VAL A 116 19.444 27.454 -3.744 1.00 23.78 N ATOM 1773 CA VAL A 116 18.728 27.474 -2.473 1.00 23.53 C ATOM 1774 C VAL A 116 19.646 27.867 -1.323 1.00 24.38 C ATOM 1775 O VAL A 116 20.838 27.557 -1.332 1.00 24.75 O ATOM 1776 CB VAL A 116 18.108 26.101 -2.150 1.00 22.24 C ATOM 1777 CG1 VAL A 116 16.809 25.899 -2.909 1.00 21.40 C ATOM 1778 CG2 VAL A 116 19.096 24.986 -2.456 1.00 21.91 C ATOM 0 H VAL A 116 20.358 27.003 -3.705 1.00 23.78 H new ATOM 0 HA VAL A 116 17.936 28.215 -2.580 1.00 23.53 H new ATOM 0 HB VAL A 116 17.878 26.072 -1.085 1.00 22.24 H new ATOM 0 HG11 VAL A 116 16.392 24.922 -2.663 1.00 21.40 H new ATOM 0 HG12 VAL A 116 16.099 26.677 -2.629 1.00 21.40 H new ATOM 0 HG13 VAL A 116 17.002 25.952 -3.981 1.00 21.40 H new ATOM 0 HG21 VAL A 116 18.642 24.023 -2.222 1.00 21.91 H new ATOM 0 HG22 VAL A 116 19.361 25.015 -3.513 1.00 21.91 H new ATOM 0 HG23 VAL A 116 19.994 25.120 -1.853 1.00 21.91 H new ATOM 1788 N THR A 117 19.080 28.551 -0.336 1.00 24.76 N ATOM 1789 CA THR A 117 19.837 28.973 0.833 1.00 25.62 C ATOM 1790 C THR A 117 19.819 27.881 1.893 1.00 25.03 C ATOM 1791 O THR A 117 18.838 27.149 2.025 1.00 24.12 O ATOM 1792 CB THR A 117 19.270 30.272 1.435 1.00 26.54 C ATOM 1793 OG1 THR A 117 17.912 30.072 1.843 1.00 25.98 O ATOM 1794 CG2 THR A 117 19.341 31.410 0.429 1.00 27.24 C ATOM 0 H THR A 117 18.098 28.825 -0.323 1.00 24.76 H new ATOM 0 HA THR A 117 20.861 29.159 0.510 1.00 25.62 H new ATOM 0 HB THR A 117 19.873 30.538 2.303 1.00 26.54 H new ATOM 0 HG1 THR A 117 17.560 30.902 2.226 1.00 25.98 H new ATOM 0 HG21 THR A 117 18.935 32.317 0.877 1.00 27.24 H new ATOM 0 HG22 THR A 117 20.379 31.579 0.144 1.00 27.24 H new ATOM 0 HG23 THR A 117 18.760 31.150 -0.456 1.00 27.24 H new ATOM 1802 N ASP A 118 20.906 27.778 2.649 1.00 25.62 N ATOM 1803 CA ASP A 118 21.024 26.768 3.695 1.00 25.26 C ATOM 1804 C ASP A 118 19.845 26.822 4.663 1.00 25.12 C ATOM 1805 O ASP A 118 19.567 25.849 5.364 1.00 24.60 O ATOM 1806 CB ASP A 118 22.332 26.954 4.466 1.00 26.22 C ATOM 1807 CG ASP A 118 23.549 26.904 3.562 1.00 26.44 C ATOM 1808 OD1 ASP A 118 23.940 27.966 3.033 1.00 26.51 O ATOM 1809 OD2 ASP A 118 24.111 25.803 3.384 1.00 26.63 O ATOM 0 H ASP A 118 21.721 28.384 2.557 1.00 25.62 H new ATOM 0 HA ASP A 118 21.022 25.791 3.211 1.00 25.26 H new ATOM 0 HB2 ASP A 118 22.310 27.911 4.988 1.00 26.22 H new ATOM 0 HB3 ASP A 118 22.416 26.178 5.227 1.00 26.22 H new ATOM 1814 N GLU A 119 19.148 27.954 4.692 1.00 25.66 N ATOM 1815 CA GLU A 119 18.010 28.125 5.590 1.00 25.70 C ATOM 1816 C GLU A 119 16.760 27.415 5.072 1.00 24.54 C ATOM 1817 O GLU A 119 16.182 26.583 5.771 1.00 24.02 O ATOM 1818 CB GLU A 119 17.715 29.611 5.795 1.00 26.79 C ATOM 1819 CG GLU A 119 18.842 30.367 6.481 1.00 27.99 C ATOM 1820 CD GLU A 119 19.163 29.811 7.855 1.00 28.61 C ATOM 1821 OE1 GLU A 119 18.459 30.172 8.821 1.00 29.14 O ATOM 1822 OE2 GLU A 119 20.119 29.014 7.964 1.00 28.61 O ATOM 0 H GLU A 119 19.350 28.764 4.106 1.00 25.66 H new ATOM 0 HA GLU A 119 18.279 27.671 6.544 1.00 25.70 H new ATOM 0 HB2 GLU A 119 17.517 30.070 4.827 1.00 26.79 H new ATOM 0 HB3 GLU A 119 16.806 29.714 6.388 1.00 26.79 H new ATOM 0 HG2 GLU A 119 19.735 30.325 5.858 1.00 27.99 H new ATOM 0 HG3 GLU A 119 18.567 31.418 6.573 1.00 27.99 H new ATOM 1829 N GLU A 120 16.349 27.737 3.848 1.00 24.19 N ATOM 1830 CA GLU A 120 15.158 27.129 3.264 1.00 23.13 C ATOM 1831 C GLU A 120 15.280 25.609 3.196 1.00 21.97 C ATOM 1832 O GLU A 120 14.324 24.888 3.491 1.00 21.17 O ATOM 1833 CB GLU A 120 14.873 27.713 1.879 1.00 23.10 C ATOM 1834 CG GLU A 120 15.966 27.467 0.856 1.00 22.97 C ATOM 1835 CD GLU A 120 15.641 28.092 -0.487 1.00 23.00 C ATOM 1836 OE1 GLU A 120 14.752 27.565 -1.187 1.00 22.54 O ATOM 1837 OE2 GLU A 120 16.268 29.114 -0.833 1.00 23.55 O ATOM 0 H GLU A 120 16.820 28.411 3.245 1.00 24.19 H new ATOM 0 HA GLU A 120 14.316 27.363 3.916 1.00 23.13 H new ATOM 0 HB2 GLU A 120 13.941 27.290 1.505 1.00 23.10 H new ATOM 0 HB3 GLU A 120 14.719 28.788 1.976 1.00 23.10 H new ATOM 0 HG2 GLU A 120 16.907 27.874 1.226 1.00 22.97 H new ATOM 0 HG3 GLU A 120 16.110 26.394 0.731 1.00 22.97 H new ATOM 1844 N ILE A 121 16.456 25.119 2.817 1.00 21.93 N ATOM 1845 CA ILE A 121 16.674 23.681 2.728 1.00 20.94 C ATOM 1846 C ILE A 121 16.718 23.054 4.118 1.00 20.97 C ATOM 1847 O ILE A 121 16.288 21.916 4.304 1.00 20.10 O ATOM 1848 CB ILE A 121 17.968 23.335 1.966 1.00 21.05 C ATOM 1849 CG1 ILE A 121 19.185 23.966 2.646 1.00 22.23 C ATOM 1850 CG2 ILE A 121 17.863 23.791 0.519 1.00 20.98 C ATOM 1851 CD1 ILE A 121 20.506 23.495 2.075 1.00 22.33 C ATOM 0 H ILE A 121 17.264 25.690 2.569 1.00 21.93 H new ATOM 0 HA ILE A 121 15.833 23.270 2.169 1.00 20.94 H new ATOM 0 HB ILE A 121 18.099 22.253 1.981 1.00 21.05 H new ATOM 0 HG12 ILE A 121 19.123 25.050 2.551 1.00 22.23 H new ATOM 0 HG13 ILE A 121 19.156 23.737 3.711 1.00 22.23 H new ATOM 0 HG21 ILE A 121 18.783 23.541 -0.009 1.00 20.98 H new ATOM 0 HG22 ILE A 121 17.022 23.290 0.040 1.00 20.98 H new ATOM 0 HG23 ILE A 121 17.708 24.870 0.488 1.00 20.98 H new ATOM 0 HD11 ILE A 121 21.325 23.982 2.604 1.00 22.33 H new ATOM 0 HD12 ILE A 121 20.589 22.415 2.194 1.00 22.33 H new ATOM 0 HD13 ILE A 121 20.556 23.748 1.016 1.00 22.33 H new ATOM 1863 N ASP A 122 17.239 23.800 5.091 1.00 22.05 N ATOM 1864 CA ASP A 122 17.322 23.311 6.464 1.00 22.30 C ATOM 1865 C ASP A 122 15.944 22.897 6.971 1.00 21.86 C ATOM 1866 O ASP A 122 15.768 21.792 7.487 1.00 21.46 O ATOM 1867 CB ASP A 122 17.913 24.382 7.383 1.00 23.63 C ATOM 1868 CG ASP A 122 17.989 23.926 8.828 1.00 24.02 C ATOM 1869 OD1 ASP A 122 19.020 23.336 9.212 1.00 24.14 O ATOM 1870 OD2 ASP A 122 17.016 24.159 9.575 1.00 24.29 O ATOM 0 H ASP A 122 17.608 24.741 4.954 1.00 22.05 H new ATOM 0 HA ASP A 122 17.977 22.440 6.473 1.00 22.30 H new ATOM 0 HB2 ASP A 122 18.912 24.645 7.035 1.00 23.63 H new ATOM 0 HB3 ASP A 122 17.306 25.285 7.321 1.00 23.63 H new ATOM 1875 N GLU A 123 14.969 23.791 6.820 1.00 22.03 N ATOM 1876 CA GLU A 123 13.607 23.515 7.259 1.00 21.74 C ATOM 1877 C GLU A 123 13.031 22.319 6.511 1.00 20.39 C ATOM 1878 O GLU A 123 12.390 21.454 7.107 1.00 20.02 O ATOM 1879 CB GLU A 123 12.713 24.741 7.049 1.00 22.27 C ATOM 1880 CG GLU A 123 12.908 25.826 8.095 1.00 23.66 C ATOM 1881 CD GLU A 123 14.262 26.500 7.998 1.00 24.40 C ATOM 1882 OE1 GLU A 123 15.243 25.939 8.528 1.00 24.74 O ATOM 1883 OE2 GLU A 123 14.342 27.589 7.390 1.00 24.71 O ATOM 0 H GLU A 123 15.098 24.710 6.398 1.00 22.03 H new ATOM 0 HA GLU A 123 13.638 23.280 8.323 1.00 21.74 H new ATOM 0 HB2 GLU A 123 12.912 25.160 6.063 1.00 22.27 H new ATOM 0 HB3 GLU A 123 11.670 24.425 7.057 1.00 22.27 H new ATOM 0 HG2 GLU A 123 12.125 26.576 7.984 1.00 23.66 H new ATOM 0 HG3 GLU A 123 12.794 25.391 9.088 1.00 23.66 H new ATOM 1890 N MET A 124 13.264 22.278 5.201 1.00 19.71 N ATOM 1891 CA MET A 124 12.774 21.183 4.372 1.00 18.41 C ATOM 1892 C MET A 124 13.236 19.836 4.920 1.00 17.96 C ATOM 1893 O MET A 124 12.488 18.858 4.901 1.00 17.13 O ATOM 1894 CB MET A 124 13.250 21.357 2.929 1.00 17.97 C ATOM 1895 CG MET A 124 12.918 20.177 2.030 1.00 16.63 C ATOM 1896 SD MET A 124 13.298 20.494 0.296 1.00 16.29 S ATOM 1897 CE MET A 124 15.063 20.791 0.382 1.00 17.07 C ATOM 0 H MET A 124 13.788 22.990 4.693 1.00 19.71 H new ATOM 0 HA MET A 124 11.684 21.204 4.390 1.00 18.41 H new ATOM 0 HB2 MET A 124 12.799 22.258 2.513 1.00 17.97 H new ATOM 0 HB3 MET A 124 14.329 21.511 2.928 1.00 17.97 H new ATOM 0 HG2 MET A 124 13.475 19.302 2.366 1.00 16.63 H new ATOM 0 HG3 MET A 124 11.859 19.938 2.128 1.00 16.63 H new ATOM 0 HE1 MET A 124 15.544 20.384 -0.508 1.00 17.07 H new ATOM 0 HE2 MET A 124 15.249 21.864 0.437 1.00 17.07 H new ATOM 0 HE3 MET A 124 15.471 20.306 1.269 1.00 17.07 H new ATOM 1907 N ILE A 125 14.472 19.793 5.409 1.00 18.60 N ATOM 1908 CA ILE A 125 15.028 18.566 5.968 1.00 18.41 C ATOM 1909 C ILE A 125 14.324 18.198 7.269 1.00 18.72 C ATOM 1910 O ILE A 125 14.094 17.022 7.550 1.00 18.18 O ATOM 1911 CB ILE A 125 16.544 18.701 6.226 1.00 19.25 C ATOM 1912 CG1 ILE A 125 17.279 18.944 4.905 1.00 19.04 C ATOM 1913 CG2 ILE A 125 17.084 17.456 6.920 1.00 19.27 C ATOM 1914 CD1 ILE A 125 18.764 19.189 5.069 1.00 19.95 C ATOM 0 H ILE A 125 15.106 20.592 5.429 1.00 18.60 H new ATOM 0 HA ILE A 125 14.868 17.775 5.235 1.00 18.41 H new ATOM 0 HB ILE A 125 16.713 19.554 6.883 1.00 19.25 H new ATOM 0 HG12 ILE A 125 17.132 18.082 4.254 1.00 19.04 H new ATOM 0 HG13 ILE A 125 16.832 19.802 4.403 1.00 19.04 H new ATOM 0 HG21 ILE A 125 18.154 17.571 7.093 1.00 19.27 H new ATOM 0 HG22 ILE A 125 16.575 17.322 7.874 1.00 19.27 H new ATOM 0 HG23 ILE A 125 16.910 16.584 6.290 1.00 19.27 H new ATOM 0 HD11 ILE A 125 19.216 19.353 4.091 1.00 19.95 H new ATOM 0 HD12 ILE A 125 18.921 20.069 5.693 1.00 19.95 H new ATOM 0 HD13 ILE A 125 19.226 18.322 5.541 1.00 19.95 H new ATOM 1926 N ARG A 126 13.980 19.212 8.056 1.00 19.67 N ATOM 1927 CA ARG A 126 13.295 18.998 9.325 1.00 20.18 C ATOM 1928 C ARG A 126 11.899 18.425 9.093 1.00 19.36 C ATOM 1929 O ARG A 126 11.376 17.681 9.924 1.00 19.42 O ATOM 1930 CB ARG A 126 13.196 20.312 10.105 1.00 21.37 C ATOM 1931 CG ARG A 126 12.392 20.198 11.390 1.00 22.05 C ATOM 1932 CD ARG A 126 12.234 21.547 12.072 1.00 22.88 C ATOM 1933 NE ARG A 126 11.330 21.475 13.217 1.00 23.53 N ATOM 1934 CZ ARG A 126 11.186 22.451 14.108 1.00 24.32 C ATOM 1935 NH1 ARG A 126 11.885 23.573 13.987 1.00 24.55 N ATOM 1936 NH2 ARG A 126 10.343 22.307 15.120 1.00 24.95 N ATOM 0 H ARG A 126 14.165 20.191 7.837 1.00 19.67 H new ATOM 0 HA ARG A 126 13.874 18.282 9.908 1.00 20.18 H new ATOM 0 HB2 ARG A 126 14.201 20.659 10.345 1.00 21.37 H new ATOM 0 HB3 ARG A 126 12.741 21.070 9.467 1.00 21.37 H new ATOM 0 HG2 ARG A 126 11.408 19.784 11.169 1.00 22.05 H new ATOM 0 HG3 ARG A 126 12.886 19.502 12.068 1.00 22.05 H new ATOM 0 HD2 ARG A 126 13.210 21.904 12.402 1.00 22.88 H new ATOM 0 HD3 ARG A 126 11.854 22.274 11.355 1.00 22.88 H new ATOM 0 HE ARG A 126 10.777 20.627 13.340 1.00 23.53 H new ATOM 0 HH11 ARG A 126 12.534 23.688 13.209 1.00 24.55 H new ATOM 0 HH12 ARG A 126 11.773 24.320 14.672 1.00 24.55 H new ATOM 0 HH21 ARG A 126 9.804 21.447 15.216 1.00 24.95 H new ATOM 0 HH22 ARG A 126 10.233 23.057 15.803 1.00 24.95 H new ATOM 1950 N GLU A 127 11.305 18.776 7.958 1.00 18.69 N ATOM 1951 CA GLU A 127 9.971 18.302 7.612 1.00 17.91 C ATOM 1952 C GLU A 127 10.001 16.840 7.179 1.00 16.85 C ATOM 1953 O GLU A 127 9.000 16.131 7.283 1.00 16.48 O ATOM 1954 CB GLU A 127 9.380 19.168 6.500 1.00 17.50 C ATOM 1955 CG GLU A 127 9.169 20.613 6.913 1.00 18.61 C ATOM 1956 CD GLU A 127 8.452 21.428 5.854 1.00 18.51 C ATOM 1957 OE1 GLU A 127 7.202 21.429 5.854 1.00 18.51 O ATOM 1958 OE2 GLU A 127 9.138 22.063 5.027 1.00 18.54 O ATOM 0 H GLU A 127 11.728 19.389 7.261 1.00 18.69 H new ATOM 0 HA GLU A 127 9.343 18.379 8.499 1.00 17.91 H new ATOM 0 HB2 GLU A 127 10.042 19.138 5.635 1.00 17.50 H new ATOM 0 HB3 GLU A 127 8.426 18.744 6.187 1.00 17.50 H new ATOM 0 HG2 GLU A 127 8.594 20.641 7.838 1.00 18.61 H new ATOM 0 HG3 GLU A 127 10.135 21.070 7.125 1.00 18.61 H new ATOM 1965 N ALA A 128 11.155 16.396 6.694 1.00 16.47 N ATOM 1966 CA ALA A 128 11.317 15.018 6.248 1.00 15.57 C ATOM 1967 C ALA A 128 12.025 14.179 7.304 1.00 16.23 C ATOM 1968 O ALA A 128 12.035 12.951 7.232 1.00 15.78 O ATOM 1969 CB ALA A 128 12.086 14.979 4.939 1.00 14.84 C ATOM 0 H ALA A 128 11.992 16.971 6.600 1.00 16.47 H new ATOM 0 HA ALA A 128 10.326 14.593 6.090 1.00 15.57 H new ATOM 0 HB1 ALA A 128 12.201 13.945 4.615 1.00 14.84 H new ATOM 0 HB2 ALA A 128 11.540 15.538 4.179 1.00 14.84 H new ATOM 0 HB3 ALA A 128 13.070 15.426 5.082 1.00 14.84 H new ATOM 1975 N ASP A 129 12.615 14.853 8.286 1.00 17.37 N ATOM 1976 CA ASP A 129 13.332 14.170 9.355 1.00 18.16 C ATOM 1977 C ASP A 129 12.448 14.008 10.587 1.00 18.88 C ATOM 1978 O ASP A 129 12.200 14.967 11.319 1.00 19.74 O ATOM 1979 CB ASP A 129 14.607 14.937 9.711 1.00 19.04 C ATOM 1980 CG ASP A 129 15.300 14.377 10.937 1.00 19.91 C ATOM 1981 OD1 ASP A 129 15.845 13.257 10.850 1.00 20.17 O ATOM 1982 OD2 ASP A 129 15.292 15.056 11.986 1.00 20.40 O ATOM 0 H ASP A 129 12.610 15.870 8.363 1.00 17.37 H new ATOM 0 HA ASP A 129 13.606 13.176 9.002 1.00 18.16 H new ATOM 0 HB2 ASP A 129 15.293 14.907 8.865 1.00 19.04 H new ATOM 0 HB3 ASP A 129 14.360 15.984 9.884 1.00 19.04 H new ATOM 1987 N PHE A 130 11.976 12.785 10.807 1.00 18.61 N ATOM 1988 CA PHE A 130 11.112 12.488 11.944 1.00 19.35 C ATOM 1989 C PHE A 130 11.909 11.891 13.100 1.00 20.46 C ATOM 1990 O PHE A 130 11.598 12.129 14.268 1.00 21.43 O ATOM 1991 CB PHE A 130 10.000 11.524 11.528 1.00 18.69 C ATOM 1992 CG PHE A 130 9.116 12.062 10.437 1.00 17.66 C ATOM 1993 CD1 PHE A 130 9.435 11.858 9.105 1.00 17.07 C ATOM 1994 CD2 PHE A 130 7.966 12.768 10.747 1.00 17.35 C ATOM 1995 CE1 PHE A 130 8.623 12.349 8.101 1.00 16.17 C ATOM 1996 CE2 PHE A 130 7.150 13.263 9.747 1.00 16.46 C ATOM 1997 CZ PHE A 130 7.483 13.057 8.421 1.00 15.86 C ATOM 0 H PHE A 130 12.178 11.982 10.211 1.00 18.61 H new ATOM 0 HA PHE A 130 10.668 13.425 12.281 1.00 19.35 H new ATOM 0 HB2 PHE A 130 10.448 10.588 11.193 1.00 18.69 H new ATOM 0 HB3 PHE A 130 9.388 11.291 12.399 1.00 18.69 H new ATOM 0 HD1 PHE A 130 10.329 11.309 8.848 1.00 17.07 H new ATOM 0 HD2 PHE A 130 7.704 12.934 11.781 1.00 17.35 H new ATOM 0 HE1 PHE A 130 8.881 12.179 7.066 1.00 16.17 H new ATOM 0 HE2 PHE A 130 6.254 13.810 10.001 1.00 16.46 H new ATOM 0 HZ PHE A 130 6.852 13.450 7.637 1.00 15.86 H new ATOM 2007 N ASP A 131 12.937 11.116 12.770 1.00 20.37 N ATOM 2008 CA ASP A 131 13.774 10.484 13.786 1.00 21.43 C ATOM 2009 C ASP A 131 14.546 11.532 14.579 1.00 22.32 C ATOM 2010 O ASP A 131 15.106 11.237 15.636 1.00 23.37 O ATOM 2011 CB ASP A 131 14.749 9.495 13.147 1.00 21.16 C ATOM 2012 CG ASP A 131 14.473 9.271 11.673 1.00 20.32 C ATOM 2013 OD1 ASP A 131 13.563 8.478 11.354 1.00 19.96 O ATOM 2014 OD2 ASP A 131 15.167 9.889 10.838 1.00 20.09 O ATOM 0 H ASP A 131 13.211 10.910 11.809 1.00 20.37 H new ATOM 0 HA ASP A 131 13.119 9.941 14.467 1.00 21.43 H new ATOM 0 HB2 ASP A 131 15.767 9.864 13.270 1.00 21.16 H new ATOM 0 HB3 ASP A 131 14.690 8.542 13.672 1.00 21.16 H new ATOM 2019 N GLY A 132 14.569 12.756 14.061 1.00 21.94 N ATOM 2020 CA GLY A 132 15.272 13.834 14.731 1.00 22.81 C ATOM 2021 C GLY A 132 16.760 13.570 14.852 1.00 23.39 C ATOM 2022 O GLY A 132 17.225 13.060 15.870 1.00 24.32 O ATOM 0 H GLY A 132 14.113 13.020 13.188 1.00 21.94 H new ATOM 0 HA2 GLY A 132 15.114 14.762 14.182 1.00 22.81 H new ATOM 0 HA3 GLY A 132 14.849 13.976 15.726 1.00 22.81 H new ATOM 2026 N ASP A 133 17.508 13.915 13.807 1.00 22.90 N ATOM 2027 CA ASP A 133 18.952 13.707 13.804 1.00 23.47 C ATOM 2028 C ASP A 133 19.658 14.697 12.878 1.00 23.33 C ATOM 2029 O ASP A 133 20.861 14.925 13.003 1.00 23.88 O ATOM 2030 CB ASP A 133 19.278 12.271 13.386 1.00 23.07 C ATOM 2031 CG ASP A 133 18.535 11.851 12.132 1.00 21.88 C ATOM 2032 OD1 ASP A 133 17.378 11.398 12.252 1.00 21.56 O ATOM 2033 OD2 ASP A 133 19.109 11.978 11.031 1.00 21.33 O ATOM 0 H ASP A 133 17.139 14.338 12.955 1.00 22.90 H new ATOM 0 HA ASP A 133 19.316 13.878 14.817 1.00 23.47 H new ATOM 0 HB2 ASP A 133 20.351 12.179 13.217 1.00 23.07 H new ATOM 0 HB3 ASP A 133 19.024 11.592 14.200 1.00 23.07 H new ATOM 2038 N GLY A 134 18.904 15.282 11.952 1.00 22.67 N ATOM 2039 CA GLY A 134 19.480 16.240 11.024 1.00 22.60 C ATOM 2040 C GLY A 134 20.062 15.578 9.789 1.00 21.81 C ATOM 2041 O GLY A 134 20.837 16.193 9.054 1.00 21.94 O ATOM 0 H GLY A 134 17.906 15.111 11.827 1.00 22.67 H new ATOM 0 HA2 GLY A 134 18.714 16.954 10.722 1.00 22.60 H new ATOM 0 HA3 GLY A 134 20.261 16.806 11.531 1.00 22.60 H new ATOM 2045 N MET A 135 19.685 14.325 9.560 1.00 21.09 N ATOM 2046 CA MET A 135 20.171 13.574 8.407 1.00 20.37 C ATOM 2047 C MET A 135 19.016 12.881 7.695 1.00 19.18 C ATOM 2048 O MET A 135 17.982 12.602 8.302 1.00 19.03 O ATOM 2049 CB MET A 135 21.218 12.544 8.837 1.00 20.92 C ATOM 2050 CG MET A 135 22.390 13.151 9.591 1.00 22.12 C ATOM 2051 SD MET A 135 23.706 11.958 9.907 1.00 22.91 S ATOM 2052 CE MET A 135 24.224 11.575 8.235 1.00 22.22 C ATOM 0 H MET A 135 19.043 13.806 10.159 1.00 21.09 H new ATOM 0 HA MET A 135 20.637 14.276 7.716 1.00 20.37 H new ATOM 0 HB2 MET A 135 20.741 11.793 9.467 1.00 20.92 H new ATOM 0 HB3 MET A 135 21.593 12.028 7.953 1.00 20.92 H new ATOM 0 HG2 MET A 135 22.792 13.986 9.018 1.00 22.12 H new ATOM 0 HG3 MET A 135 22.036 13.556 10.539 1.00 22.12 H new ATOM 0 HE1 MET A 135 23.912 10.562 7.980 1.00 22.22 H new ATOM 0 HE2 MET A 135 23.767 12.281 7.542 1.00 22.22 H new ATOM 0 HE3 MET A 135 25.309 11.648 8.164 1.00 22.22 H new ATOM 2062 N ILE A 136 19.199 12.599 6.410 1.00 18.41 N ATOM 2063 CA ILE A 136 18.158 11.952 5.622 1.00 17.25 C ATOM 2064 C ILE A 136 18.571 10.562 5.160 1.00 16.93 C ATOM 2065 O ILE A 136 19.709 10.335 4.750 1.00 17.36 O ATOM 2066 CB ILE A 136 17.790 12.787 4.377 1.00 16.55 C ATOM 2067 CG1 ILE A 136 17.317 14.186 4.788 1.00 16.94 C ATOM 2068 CG2 ILE A 136 16.724 12.076 3.546 1.00 15.33 C ATOM 2069 CD1 ILE A 136 16.097 14.186 5.687 1.00 16.79 C ATOM 0 H ILE A 136 20.054 12.807 5.894 1.00 18.41 H new ATOM 0 HA ILE A 136 17.293 11.869 6.281 1.00 17.25 H new ATOM 0 HB ILE A 136 18.682 12.896 3.761 1.00 16.55 H new ATOM 0 HG12 ILE A 136 18.132 14.698 5.299 1.00 16.94 H new ATOM 0 HG13 ILE A 136 17.093 14.761 3.889 1.00 16.94 H new ATOM 0 HG21 ILE A 136 16.479 12.682 2.673 1.00 15.33 H new ATOM 0 HG22 ILE A 136 17.103 11.107 3.221 1.00 15.33 H new ATOM 0 HG23 ILE A 136 15.828 11.931 4.150 1.00 15.33 H new ATOM 0 HD11 ILE A 136 15.826 15.213 5.933 1.00 16.79 H new ATOM 0 HD12 ILE A 136 15.266 13.705 5.172 1.00 16.79 H new ATOM 0 HD13 ILE A 136 16.321 13.641 6.604 1.00 16.79 H new ATOM 2081 N ASN A 137 17.625 9.639 5.235 1.00 16.28 N ATOM 2082 CA ASN A 137 17.833 8.271 4.794 1.00 16.03 C ATOM 2083 C ASN A 137 16.910 7.994 3.614 1.00 14.85 C ATOM 2084 O ASN A 137 15.935 8.719 3.421 1.00 14.21 O ATOM 2085 CB ASN A 137 17.591 7.273 5.934 1.00 16.50 C ATOM 2086 CG ASN A 137 16.259 7.478 6.625 1.00 16.54 C ATOM 2087 OD1 ASN A 137 15.280 7.880 6.003 1.00 16.44 O ATOM 2088 ND2 ASN A 137 16.218 7.201 7.923 1.00 16.82 N ATOM 0 H ASN A 137 16.691 9.819 5.604 1.00 16.28 H new ATOM 0 HA ASN A 137 18.870 8.146 4.483 1.00 16.03 H new ATOM 0 HB2 ASN A 137 17.636 6.259 5.538 1.00 16.50 H new ATOM 0 HB3 ASN A 137 18.393 7.365 6.667 1.00 16.50 H new ATOM 0 HD21 ASN A 137 15.348 7.320 8.443 1.00 16.82 H new ATOM 0 HD22 ASN A 137 17.056 6.869 8.400 1.00 16.82 H new ATOM 2095 N TYR A 138 17.231 6.986 2.809 1.00 14.65 N ATOM 2096 CA TYR A 138 16.423 6.654 1.631 1.00 13.62 C ATOM 2097 C TYR A 138 14.918 6.815 1.889 1.00 12.81 C ATOM 2098 O TYR A 138 14.151 7.052 0.960 1.00 11.86 O ATOM 2099 CB TYR A 138 16.728 5.224 1.169 1.00 13.81 C ATOM 2100 CG TYR A 138 15.739 4.678 0.159 1.00 12.91 C ATOM 2101 CD1 TYR A 138 15.700 5.163 -1.144 1.00 12.17 C ATOM 2102 CD2 TYR A 138 14.840 3.680 0.514 1.00 12.92 C ATOM 2103 CE1 TYR A 138 14.792 4.666 -2.063 1.00 11.46 C ATOM 2104 CE2 TYR A 138 13.932 3.179 -0.399 1.00 12.20 C ATOM 2105 CZ TYR A 138 13.911 3.675 -1.685 1.00 11.46 C ATOM 2106 OH TYR A 138 13.008 3.178 -2.596 1.00 10.87 O ATOM 0 H TYR A 138 18.042 6.383 2.947 1.00 14.65 H new ATOM 0 HA TYR A 138 16.693 7.359 0.845 1.00 13.62 H new ATOM 0 HB2 TYR A 138 17.727 5.199 0.734 1.00 13.81 H new ATOM 0 HB3 TYR A 138 16.743 4.568 2.039 1.00 13.81 H new ATOM 0 HD1 TYR A 138 16.389 5.939 -1.443 1.00 12.17 H new ATOM 0 HD2 TYR A 138 14.851 3.289 1.521 1.00 12.92 H new ATOM 0 HE1 TYR A 138 14.774 5.053 -3.071 1.00 11.46 H new ATOM 0 HE2 TYR A 138 13.241 2.402 -0.106 1.00 12.20 H new ATOM 0 HH TYR A 138 12.461 2.485 -2.170 1.00 10.87 H new ATOM 2116 N GLU A 139 14.500 6.719 3.148 1.00 13.28 N ATOM 2117 CA GLU A 139 13.084 6.851 3.487 1.00 12.75 C ATOM 2118 C GLU A 139 12.665 8.320 3.548 1.00 12.57 C ATOM 2119 O GLU A 139 11.726 8.736 2.867 1.00 11.70 O ATOM 2120 CB GLU A 139 12.786 6.166 4.823 1.00 13.59 C ATOM 2121 CG GLU A 139 12.986 4.659 4.793 1.00 13.94 C ATOM 2122 CD GLU A 139 12.568 3.989 6.087 1.00 14.48 C ATOM 2123 OE1 GLU A 139 13.384 3.963 7.033 1.00 14.68 O ATOM 2124 OE2 GLU A 139 11.424 3.492 6.156 1.00 14.82 O ATOM 0 H GLU A 139 15.114 6.552 3.945 1.00 13.28 H new ATOM 0 HA GLU A 139 12.507 6.363 2.701 1.00 12.75 H new ATOM 0 HB2 GLU A 139 13.429 6.594 5.592 1.00 13.59 H new ATOM 0 HB3 GLU A 139 11.757 6.382 5.111 1.00 13.59 H new ATOM 0 HG2 GLU A 139 12.413 4.237 3.968 1.00 13.94 H new ATOM 0 HG3 GLU A 139 14.036 4.439 4.597 1.00 13.94 H new ATOM 2131 N GLU A 140 13.368 9.101 4.366 1.00 13.49 N ATOM 2132 CA GLU A 140 13.066 10.522 4.517 1.00 13.65 C ATOM 2133 C GLU A 140 13.217 11.251 3.185 1.00 13.01 C ATOM 2134 O GLU A 140 12.552 12.260 2.939 1.00 12.80 O ATOM 2135 CB GLU A 140 13.986 11.154 5.567 1.00 14.90 C ATOM 2136 CG GLU A 140 13.918 10.482 6.928 1.00 15.69 C ATOM 2137 CD GLU A 140 15.084 10.860 7.821 1.00 16.90 C ATOM 2138 OE1 GLU A 140 15.234 12.061 8.126 1.00 17.46 O ATOM 2139 OE2 GLU A 140 15.845 9.954 8.221 1.00 17.35 O ATOM 0 H GLU A 140 14.150 8.774 4.934 1.00 13.49 H new ATOM 0 HA GLU A 140 12.032 10.616 4.849 1.00 13.65 H new ATOM 0 HB2 GLU A 140 15.014 11.117 5.205 1.00 14.90 H new ATOM 0 HB3 GLU A 140 13.725 12.206 5.679 1.00 14.90 H new ATOM 0 HG2 GLU A 140 12.984 10.757 7.419 1.00 15.69 H new ATOM 0 HG3 GLU A 140 13.902 9.400 6.795 1.00 15.69 H new ATOM 2146 N PHE A 141 14.092 10.734 2.326 1.00 12.87 N ATOM 2147 CA PHE A 141 14.326 11.335 1.018 1.00 12.46 C ATOM 2148 C PHE A 141 13.142 11.086 0.091 1.00 11.27 C ATOM 2149 O PHE A 141 12.555 12.023 -0.445 1.00 11.00 O ATOM 2150 CB PHE A 141 15.608 10.770 0.398 1.00 12.80 C ATOM 2151 CG PHE A 141 15.887 11.289 -0.983 1.00 12.57 C ATOM 2152 CD1 PHE A 141 16.523 12.504 -1.165 1.00 12.93 C ATOM 2153 CD2 PHE A 141 15.518 10.557 -2.100 1.00 12.17 C ATOM 2154 CE1 PHE A 141 16.788 12.980 -2.432 1.00 12.93 C ATOM 2155 CE2 PHE A 141 15.778 11.027 -3.370 1.00 12.17 C ATOM 2156 CZ PHE A 141 16.390 12.257 -3.537 1.00 12.56 C ATOM 0 H PHE A 141 14.650 9.901 2.513 1.00 12.87 H new ATOM 0 HA PHE A 141 14.440 12.411 1.150 1.00 12.46 H new ATOM 0 HB2 PHE A 141 16.451 11.011 1.045 1.00 12.80 H new ATOM 0 HB3 PHE A 141 15.535 9.683 0.361 1.00 12.80 H new ATOM 0 HD1 PHE A 141 16.816 13.087 -0.304 1.00 12.93 H new ATOM 0 HD2 PHE A 141 15.021 9.607 -1.974 1.00 12.17 H new ATOM 0 HE1 PHE A 141 17.307 13.919 -2.559 1.00 12.93 H new ATOM 0 HE2 PHE A 141 15.505 10.437 -4.232 1.00 12.17 H new ATOM 0 HZ PHE A 141 16.555 12.649 -4.529 1.00 12.56 H new ATOM 2166 N VAL A 142 12.801 9.811 -0.089 1.00 10.70 N ATOM 2167 CA VAL A 142 11.681 9.417 -0.940 1.00 9.58 C ATOM 2168 C VAL A 142 10.427 10.230 -0.630 1.00 9.23 C ATOM 2169 O VAL A 142 9.662 10.582 -1.532 1.00 8.50 O ATOM 2170 CB VAL A 142 11.358 7.917 -0.769 1.00 9.36 C ATOM 2171 CG1 VAL A 142 10.032 7.566 -1.431 1.00 8.32 C ATOM 2172 CG2 VAL A 142 12.475 7.062 -1.341 1.00 9.69 C ATOM 0 H VAL A 142 13.289 9.029 0.347 1.00 10.70 H new ATOM 0 HA VAL A 142 11.984 9.611 -1.969 1.00 9.58 H new ATOM 0 HB VAL A 142 11.272 7.711 0.298 1.00 9.36 H new ATOM 0 HG11 VAL A 142 9.828 6.504 -1.296 1.00 8.32 H new ATOM 0 HG12 VAL A 142 9.232 8.150 -0.976 1.00 8.32 H new ATOM 0 HG13 VAL A 142 10.086 7.793 -2.496 1.00 8.32 H new ATOM 0 HG21 VAL A 142 12.229 6.008 -1.211 1.00 9.69 H new ATOM 0 HG22 VAL A 142 12.592 7.279 -2.403 1.00 9.69 H new ATOM 0 HG23 VAL A 142 13.406 7.284 -0.820 1.00 9.69 H new ATOM 2182 N TRP A 143 10.220 10.531 0.644 1.00 9.94 N ATOM 2183 CA TRP A 143 9.043 11.282 1.059 1.00 9.97 C ATOM 2184 C TRP A 143 9.108 12.746 0.628 1.00 10.29 C ATOM 2185 O TRP A 143 8.211 13.232 -0.053 1.00 9.82 O ATOM 2186 CB TRP A 143 8.864 11.205 2.575 1.00 10.95 C ATOM 2187 CG TRP A 143 7.642 11.926 3.050 1.00 11.20 C ATOM 2188 CD1 TRP A 143 6.373 11.432 3.152 1.00 10.93 C ATOM 2189 CD2 TRP A 143 7.581 13.284 3.475 1.00 11.97 C ATOM 2190 NE1 TRP A 143 5.526 12.411 3.618 1.00 11.51 N ATOM 2191 CE2 TRP A 143 6.248 13.559 3.823 1.00 12.15 C ATOM 2192 CE3 TRP A 143 8.533 14.291 3.592 1.00 12.67 C ATOM 2193 CZ2 TRP A 143 5.844 14.811 4.281 1.00 13.01 C ATOM 2194 CZ3 TRP A 143 8.138 15.534 4.045 1.00 13.49 C ATOM 2195 CH2 TRP A 143 6.803 15.784 4.387 1.00 13.66 C ATOM 0 H TRP A 143 10.847 10.269 1.404 1.00 9.94 H new ATOM 0 HA TRP A 143 8.187 10.824 0.563 1.00 9.97 H new ATOM 0 HB2 TRP A 143 8.804 10.159 2.877 1.00 10.95 H new ATOM 0 HB3 TRP A 143 9.743 11.628 3.062 1.00 10.95 H new ATOM 0 HD1 TRP A 143 6.078 10.423 2.904 1.00 10.93 H new ATOM 0 HE1 TRP A 143 4.526 12.301 3.784 1.00 11.51 H new ATOM 0 HE3 TRP A 143 9.565 14.104 3.333 1.00 12.67 H new ATOM 0 HZ2 TRP A 143 4.815 15.007 4.542 1.00 13.01 H new ATOM 0 HZ3 TRP A 143 8.868 16.324 4.137 1.00 13.49 H new ATOM 0 HH2 TRP A 143 6.523 16.765 4.742 1.00 13.66 H new ATOM 2206 N MET A 144 10.174 13.443 1.016 1.00 11.22 N ATOM 2207 CA MET A 144 10.313 14.865 0.698 1.00 11.83 C ATOM 2208 C MET A 144 10.393 15.135 -0.805 1.00 11.29 C ATOM 2209 O MET A 144 10.068 16.234 -1.254 1.00 11.65 O ATOM 2210 CB MET A 144 11.527 15.462 1.410 1.00 13.01 C ATOM 2211 CG MET A 144 12.863 14.918 0.936 1.00 13.05 C ATOM 2212 SD MET A 144 14.260 15.807 1.659 1.00 14.50 S ATOM 2213 CE MET A 144 15.645 14.821 1.091 1.00 14.50 C ATOM 0 H MET A 144 10.951 13.050 1.548 1.00 11.22 H new ATOM 0 HA MET A 144 9.407 15.352 1.059 1.00 11.83 H new ATOM 0 HB2 MET A 144 11.519 16.543 1.271 1.00 13.01 H new ATOM 0 HB3 MET A 144 11.432 15.277 2.480 1.00 13.01 H new ATOM 0 HG2 MET A 144 12.935 13.861 1.194 1.00 13.05 H new ATOM 0 HG3 MET A 144 12.915 14.985 -0.151 1.00 13.05 H new ATOM 0 HE1 MET A 144 16.522 15.042 1.699 1.00 14.50 H new ATOM 0 HE2 MET A 144 15.399 13.763 1.180 1.00 14.50 H new ATOM 0 HE3 MET A 144 15.857 15.058 0.048 1.00 14.50 H new ATOM 2223 N ILE A 145 10.822 14.148 -1.581 1.00 10.61 N ATOM 2224 CA ILE A 145 10.939 14.324 -3.026 1.00 10.28 C ATOM 2225 C ILE A 145 9.597 14.163 -3.737 1.00 9.33 C ATOM 2226 O ILE A 145 9.287 14.906 -4.667 1.00 9.45 O ATOM 2227 CB ILE A 145 11.942 13.340 -3.637 1.00 10.17 C ATOM 2228 CG1 ILE A 145 11.496 11.908 -3.372 1.00 9.32 C ATOM 2229 CG2 ILE A 145 13.329 13.590 -3.074 1.00 11.25 C ATOM 2230 CD1 ILE A 145 12.328 10.872 -4.088 1.00 9.30 C ATOM 0 H ILE A 145 11.093 13.225 -1.240 1.00 10.61 H new ATOM 0 HA ILE A 145 11.296 15.343 -3.173 1.00 10.28 H new ATOM 0 HB ILE A 145 11.980 13.492 -4.716 1.00 10.17 H new ATOM 0 HG12 ILE A 145 11.537 11.716 -2.300 1.00 9.32 H new ATOM 0 HG13 ILE A 145 10.455 11.799 -3.676 1.00 9.32 H new ATOM 0 HG21 ILE A 145 14.033 12.885 -3.515 1.00 11.25 H new ATOM 0 HG22 ILE A 145 13.639 14.608 -3.309 1.00 11.25 H new ATOM 0 HG23 ILE A 145 13.312 13.457 -1.992 1.00 11.25 H new ATOM 0 HD11 ILE A 145 11.952 9.877 -3.852 1.00 9.30 H new ATOM 0 HD12 ILE A 145 12.268 11.037 -5.164 1.00 9.30 H new ATOM 0 HD13 ILE A 145 13.366 10.953 -3.766 1.00 9.30 H new ATOM 2242 N SER A 146 8.805 13.188 -3.301 1.00 8.54 N ATOM 2243 CA SER A 146 7.501 12.936 -3.907 1.00 7.66 C ATOM 2244 C SER A 146 6.617 14.169 -3.797 1.00 8.22 C ATOM 2245 O SER A 146 5.578 14.271 -4.450 1.00 7.89 O ATOM 2246 CB SER A 146 6.817 11.747 -3.228 1.00 6.98 C ATOM 2247 OG SER A 146 6.595 12.005 -1.853 1.00 6.80 O ATOM 0 H SER A 146 9.042 12.561 -2.532 1.00 8.54 H new ATOM 0 HA SER A 146 7.654 12.702 -4.961 1.00 7.66 H new ATOM 0 HB2 SER A 146 5.867 11.540 -3.721 1.00 6.98 H new ATOM 0 HB3 SER A 146 7.435 10.856 -3.339 1.00 6.98 H new ATOM 0 HG SER A 146 5.840 12.621 -1.754 1.00 6.80 H new ATOM 2253 N GLN A 147 7.048 15.102 -2.961 1.00 9.26 N ATOM 2254 CA GLN A 147 6.305 16.326 -2.722 1.00 10.11 C ATOM 2255 C GLN A 147 6.957 17.523 -3.416 1.00 11.05 C ATOM 2256 O GLN A 147 6.807 18.663 -2.972 1.00 11.87 O ATOM 2257 CB GLN A 147 6.226 16.567 -1.218 1.00 10.77 C ATOM 2258 CG GLN A 147 6.178 15.278 -0.408 1.00 10.15 C ATOM 2259 CD GLN A 147 4.789 14.671 -0.345 1.00 9.47 C ATOM 2260 OE1 GLN A 147 4.511 13.721 -1.235 1.00 10.00 O flip ATOM 2261 NE2 GLN A 147 3.979 15.040 0.505 1.00 8.44 N flip ATOM 0 H GLN A 147 7.918 15.031 -2.433 1.00 9.26 H new ATOM 0 HA GLN A 147 5.303 16.216 -3.138 1.00 10.11 H new ATOM 0 HB2 GLN A 147 7.089 17.154 -0.904 1.00 10.77 H new ATOM 0 HB3 GLN A 147 5.339 17.161 -0.997 1.00 10.77 H new ATOM 0 HG2 GLN A 147 6.866 14.554 -0.845 1.00 10.15 H new ATOM 0 HG3 GLN A 147 6.528 15.478 0.605 1.00 10.15 H new ATOM 0 HE21 GLN A 147 4.234 15.772 1.168 1.00 8.44 H new ATOM 0 HE22 GLN A 147 3.053 14.614 0.546 1.00 8.44 H new ATOM 2270 N LYS A 148 7.681 17.262 -4.502 1.00 11.08 N ATOM 2271 CA LYS A 148 8.343 18.327 -5.252 1.00 12.08 C ATOM 2272 C LYS A 148 7.461 18.806 -6.403 1.00 12.24 C ATOM 2273 O LYS A 148 6.701 19.776 -6.199 1.00 12.44 O ATOM 2274 CB LYS A 148 9.693 17.849 -5.796 1.00 12.12 C ATOM 2275 CG LYS A 148 10.715 17.546 -4.713 1.00 12.94 C ATOM 2276 CD LYS A 148 12.057 17.101 -5.291 1.00 13.10 C ATOM 2277 CE LYS A 148 11.939 15.816 -6.103 1.00 13.06 C ATOM 2278 NZ LYS A 148 11.456 16.067 -7.490 1.00 13.68 N ATOM 2279 OXT LYS A 148 7.535 18.205 -7.496 1.00 12.34 O ATOM 0 H LYS A 148 7.824 16.326 -4.881 1.00 11.08 H new ATOM 0 HA LYS A 148 8.514 19.160 -4.570 1.00 12.08 H new ATOM 0 HB2 LYS A 148 9.536 16.953 -6.396 1.00 12.12 H new ATOM 0 HB3 LYS A 148 10.097 18.612 -6.462 1.00 12.12 H new ATOM 0 HG2 LYS A 148 10.863 18.433 -4.098 1.00 12.94 H new ATOM 0 HG3 LYS A 148 10.327 16.766 -4.058 1.00 12.94 H new ATOM 0 HD2 LYS A 148 12.458 17.893 -5.924 1.00 13.10 H new ATOM 0 HD3 LYS A 148 12.768 16.951 -4.479 1.00 13.10 H new ATOM 0 HE2 LYS A 148 12.910 15.323 -6.142 1.00 13.06 H new ATOM 0 HE3 LYS A 148 11.255 15.132 -5.600 1.00 13.06 H new ATOM 0 HZ1 LYS A 148 10.510 15.652 -7.608 1.00 13.68 H new ATOM 0 HZ2 LYS A 148 11.409 17.092 -7.661 1.00 13.68 H new ATOM 0 HZ3 LYS A 148 12.112 15.632 -8.170 1.00 13.68 H new