USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1228 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: B 30 LYS NZ :NH3+ 178:sc= 0.119 (180deg=0.429) USER MOD Set 1.2: B 59 GLN : amide:sc= 0.383 K(o=0.5,f=-1.2) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 172:sc= -0.224 (180deg=0.282) USER MOD Set 2.2: A 59 GLN : amide:sc= 0.672 K(o=0.45,f=-1.3) USER MOD Single : A 7 HIS : no HD1:sc= 0.846 K(o=0.85,f=-3.9!) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 16 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-1.4) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 29 SER OG : rot -68:sc= 0.971 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -83:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.277 F(o=-1.5!,f=-0.28) USER MOD Single : A 44 THR OG1 : rot 163:sc= -0.816 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.53 (180deg=-1.03) USER MOD Single : A 51 LYS NZ :NH3+ -137:sc= -0.109 (180deg=-0.573) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 65 GLN :FLIP amide:sc=-0.00566 F(o=-1.1,f=-0.0057) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 34:sc= 1.23 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 0.705 K(o=0.71,f=-3.8!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS :FLIP no HE2:sc= 0.0315 F(o=-0.49,f=0.031) USER MOD Single : B 7 HIS : no HD1:sc= 0.819 K(o=0.82,f=-3.6!) USER MOD Single : B 13 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 16 HIS : no HD1:sc= -0.429 K(o=-0.43,f=-1.4) USER MOD Single : B 17 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : B 29 SER OG : rot -68:sc= 0.933 USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot -84:sc= 1.19 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN :FLIP amide:sc= -0.327 F(o=-1.5,f=-0.33) USER MOD Single : B 44 THR OG1 : rot 161:sc= -0.855 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 49 LYS NZ :NH3+ 162:sc= -0.551 (180deg=-1.11) USER MOD Single : B 51 LYS NZ :NH3+ -161:sc= -0.0956 (180deg=-0.509) USER MOD Single : B 64 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 65 GLN :FLIP amide:sc=-0.00967 F(o=-1.1,f=-0.0097) USER MOD Single : B 68 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 SER OG : rot 39:sc= 1.23 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 HIS : no HD1:sc=-0.00366 X(o=-0.0037,f=-0.0039) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 0.792 K(o=0.79,f=-3.7!) USER MOD Single : B 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 90 HIS : no HD1:sc= -0.466 X(o=-0.47,f=0.031) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -4.633 6.886 10.350 1.00 1.20 N ATOM 76 CA GLU A 5 -3.930 6.582 9.109 1.00 0.93 C ATOM 77 C GLU A 5 -2.466 6.224 9.371 1.00 0.69 C ATOM 78 O GLU A 5 -1.588 6.466 8.539 1.00 0.68 O ATOM 79 CB GLU A 5 -4.029 7.740 8.107 1.00 1.39 C ATOM 80 CG GLU A 5 -4.134 9.128 8.731 1.00 1.80 C ATOM 81 CD GLU A 5 -5.536 9.457 9.207 1.00 2.48 C ATOM 82 OE1 GLU A 5 -6.415 9.721 8.359 1.00 3.10 O ATOM 83 OE2 GLU A 5 -5.764 9.455 10.434 1.00 3.00 O ATOM 0 HA GLU A 5 -4.419 5.713 8.669 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -3.153 7.715 7.459 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -4.900 7.577 7.472 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -3.445 9.195 9.573 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -3.819 9.874 8.001 1.00 1.80 H new ATOM 90 N GLU A 6 -2.228 5.610 10.527 1.00 0.68 N ATOM 91 CA GLU A 6 -0.912 5.127 10.916 1.00 0.67 C ATOM 92 C GLU A 6 -0.482 4.000 9.981 1.00 0.54 C ATOM 93 O GLU A 6 0.691 3.651 9.897 1.00 0.60 O ATOM 94 CB GLU A 6 -0.948 4.635 12.368 1.00 0.78 C ATOM 95 CG GLU A 6 0.428 4.371 12.963 1.00 1.07 C ATOM 96 CD GLU A 6 1.295 5.616 13.000 1.00 1.79 C ATOM 97 OE1 GLU A 6 1.218 6.373 13.991 1.00 2.48 O ATOM 98 OE2 GLU A 6 2.058 5.846 12.037 1.00 2.51 O ATOM 0 H GLU A 6 -2.951 5.434 11.224 1.00 0.68 H new ATOM 0 HA GLU A 6 -0.190 5.940 10.841 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -1.462 5.376 12.980 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -1.536 3.719 12.417 1.00 0.78 H new ATOM 0 HG2 GLU A 6 0.314 3.982 13.975 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.931 3.600 12.379 1.00 1.07 H new ATOM 105 N HIS A 7 -1.456 3.423 9.287 1.00 0.42 N ATOM 106 CA HIS A 7 -1.179 2.397 8.295 1.00 0.38 C ATOM 107 C HIS A 7 -0.334 3.003 7.186 1.00 0.35 C ATOM 108 O HIS A 7 0.782 2.566 6.922 1.00 0.39 O ATOM 109 CB HIS A 7 -2.472 1.846 7.671 1.00 0.43 C ATOM 110 CG HIS A 7 -3.562 1.481 8.639 1.00 0.95 C ATOM 111 ND1 HIS A 7 -3.608 0.284 9.322 1.00 1.73 N ATOM 112 CD2 HIS A 7 -4.678 2.158 8.997 1.00 1.60 C ATOM 113 CE1 HIS A 7 -4.708 0.245 10.055 1.00 2.16 C ATOM 114 NE2 HIS A 7 -5.373 1.368 9.874 1.00 2.03 N ATOM 0 H HIS A 7 -2.445 3.650 9.395 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.658 1.579 8.792 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.863 2.589 6.976 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -2.222 0.962 7.085 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -4.967 3.140 8.654 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -5.011 -0.571 10.695 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -6.260 1.610 10.315 1.00 2.03 H new ATOM 123 N LEU A 8 -0.879 4.048 6.578 1.00 0.34 N ATOM 124 CA LEU A 8 -0.272 4.699 5.427 1.00 0.32 C ATOM 125 C LEU A 8 0.926 5.541 5.838 1.00 0.33 C ATOM 126 O LEU A 8 2.036 5.334 5.347 1.00 0.33 O ATOM 127 CB LEU A 8 -1.324 5.569 4.759 1.00 0.33 C ATOM 128 CG LEU A 8 -2.623 4.833 4.450 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.694 5.806 4.021 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.400 3.774 3.382 1.00 0.33 C ATOM 0 H LEU A 8 -1.760 4.470 6.872 1.00 0.34 H new ATOM 0 HA LEU A 8 0.088 3.940 4.732 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.543 6.419 5.405 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -0.915 5.971 3.832 1.00 0.33 H new ATOM 0 HG LEU A 8 -2.958 4.333 5.359 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.614 5.263 3.805 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -3.876 6.523 4.822 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.367 6.336 3.127 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.339 3.261 3.177 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.038 4.248 2.469 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.662 3.053 3.733 1.00 0.33 H new ATOM 142 N GLU A 9 0.707 6.474 6.762 1.00 0.37 N ATOM 143 CA GLU A 9 1.775 7.359 7.209 1.00 0.40 C ATOM 144 C GLU A 9 2.849 6.573 7.944 1.00 0.40 C ATOM 145 O GLU A 9 3.988 7.013 8.052 1.00 0.42 O ATOM 146 CB GLU A 9 1.238 8.483 8.099 1.00 0.47 C ATOM 147 CG GLU A 9 0.298 9.435 7.378 1.00 1.24 C ATOM 148 CD GLU A 9 0.216 10.792 8.047 1.00 1.72 C ATOM 149 OE1 GLU A 9 1.058 11.662 7.737 1.00 2.41 O ATOM 150 OE2 GLU A 9 -0.688 11.000 8.882 1.00 2.17 O ATOM 0 H GLU A 9 -0.194 6.635 7.212 1.00 0.37 H new ATOM 0 HA GLU A 9 2.216 7.815 6.323 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.715 8.044 8.949 1.00 0.47 H new ATOM 0 HB3 GLU A 9 2.078 9.050 8.500 1.00 0.47 H new ATOM 0 HG2 GLU A 9 0.634 9.561 6.349 1.00 1.24 H new ATOM 0 HG3 GLU A 9 -0.698 8.994 7.336 1.00 1.24 H new ATOM 157 N GLY A 10 2.477 5.407 8.450 1.00 0.40 N ATOM 158 CA GLY A 10 3.435 4.543 9.107 1.00 0.43 C ATOM 159 C GLY A 10 4.378 3.898 8.118 1.00 0.39 C ATOM 160 O GLY A 10 5.575 3.791 8.373 1.00 0.44 O ATOM 0 H GLY A 10 1.525 5.043 8.417 1.00 0.40 H new ATOM 0 HA2 GLY A 10 4.008 5.121 9.832 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.906 3.769 9.663 1.00 0.43 H new ATOM 164 N ILE A 11 3.841 3.474 6.980 1.00 0.34 N ATOM 165 CA ILE A 11 4.659 2.894 5.924 1.00 0.33 C ATOM 166 C ILE A 11 5.544 3.970 5.297 1.00 0.33 C ATOM 167 O ILE A 11 6.708 3.736 4.971 1.00 0.38 O ATOM 168 CB ILE A 11 3.788 2.228 4.839 1.00 0.35 C ATOM 169 CG1 ILE A 11 2.938 1.119 5.459 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.660 1.660 3.732 1.00 0.50 C ATOM 171 CD1 ILE A 11 1.975 0.468 4.490 1.00 1.16 C ATOM 0 H ILE A 11 2.845 3.521 6.766 1.00 0.34 H new ATOM 0 HA ILE A 11 5.287 2.123 6.370 1.00 0.33 H new ATOM 0 HB ILE A 11 3.129 2.983 4.409 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.599 0.354 5.868 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.373 1.532 6.295 1.00 0.41 H new ATOM 0 HG21 ILE A 11 4.029 1.194 2.975 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.240 2.463 3.277 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.338 0.915 4.149 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.409 -0.308 5.006 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.289 1.219 4.099 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.533 0.023 3.666 1.00 1.16 H new ATOM 183 N VAL A 12 4.985 5.157 5.159 1.00 0.33 N ATOM 184 CA VAL A 12 5.734 6.298 4.656 1.00 0.38 C ATOM 185 C VAL A 12 6.823 6.708 5.650 1.00 0.40 C ATOM 186 O VAL A 12 7.928 7.099 5.261 1.00 0.45 O ATOM 187 CB VAL A 12 4.784 7.475 4.373 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.547 8.731 3.986 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.818 7.079 3.275 1.00 0.48 C ATOM 0 H VAL A 12 4.012 5.359 5.388 1.00 0.33 H new ATOM 0 HA VAL A 12 6.218 6.012 3.722 1.00 0.38 H new ATOM 0 HB VAL A 12 4.232 7.704 5.284 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.842 9.540 3.794 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.214 9.016 4.799 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.132 8.539 3.087 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.141 7.908 3.069 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.375 6.832 2.371 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.241 6.211 3.594 1.00 0.48 H new ATOM 199 N ASN A 13 6.516 6.581 6.935 1.00 0.42 N ATOM 200 CA ASN A 13 7.454 6.947 7.989 1.00 0.48 C ATOM 201 C ASN A 13 8.604 5.953 8.075 1.00 0.48 C ATOM 202 O ASN A 13 9.755 6.348 8.247 1.00 0.58 O ATOM 203 CB ASN A 13 6.746 7.040 9.342 1.00 0.61 C ATOM 204 CG ASN A 13 7.657 7.557 10.440 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.575 8.341 10.189 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.411 7.120 11.662 1.00 1.42 N ATOM 0 H ASN A 13 5.622 6.226 7.273 1.00 0.42 H new ATOM 0 HA ASN A 13 7.861 7.926 7.736 1.00 0.48 H new ATOM 0 HB2 ASN A 13 5.882 7.698 9.252 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.370 6.056 9.620 1.00 0.61 H new ATOM 0 HD21 ASN A 13 7.991 7.431 12.441 1.00 1.42 H new ATOM 0 HD22 ASN A 13 6.641 6.472 11.826 1.00 1.42 H new ATOM 213 N ILE A 14 8.308 4.663 7.941 1.00 0.47 N ATOM 214 CA ILE A 14 9.362 3.657 8.001 1.00 0.57 C ATOM 215 C ILE A 14 10.296 3.791 6.805 1.00 0.53 C ATOM 216 O ILE A 14 11.484 3.489 6.903 1.00 0.60 O ATOM 217 CB ILE A 14 8.829 2.209 8.093 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.959 1.867 6.883 1.00 1.33 C ATOM 219 CG2 ILE A 14 8.058 2.014 9.391 1.00 1.14 C ATOM 220 CD1 ILE A 14 7.439 0.446 6.882 1.00 2.06 C ATOM 0 H ILE A 14 7.368 4.296 7.793 1.00 0.47 H new ATOM 0 HA ILE A 14 9.909 3.848 8.924 1.00 0.57 H new ATOM 0 HB ILE A 14 9.680 1.528 8.091 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.113 2.553 6.851 1.00 1.33 H new ATOM 0 HG13 ILE A 14 8.537 2.032 5.974 1.00 1.33 H new ATOM 0 HG21 ILE A 14 7.688 0.990 9.444 1.00 1.14 H new ATOM 0 HG22 ILE A 14 8.717 2.206 10.238 1.00 1.14 H new ATOM 0 HG23 ILE A 14 7.217 2.706 9.422 1.00 1.14 H new ATOM 0 HD11 ILE A 14 6.831 0.282 5.992 1.00 2.06 H new ATOM 0 HD12 ILE A 14 8.279 -0.249 6.881 1.00 2.06 H new ATOM 0 HD13 ILE A 14 6.832 0.280 7.772 1.00 2.06 H new ATOM 232 N PHE A 15 9.777 4.276 5.680 1.00 0.48 N ATOM 233 CA PHE A 15 10.630 4.548 4.534 1.00 0.58 C ATOM 234 C PHE A 15 11.562 5.709 4.866 1.00 0.60 C ATOM 235 O PHE A 15 12.724 5.725 4.467 1.00 0.70 O ATOM 236 CB PHE A 15 9.798 4.861 3.291 1.00 0.68 C ATOM 237 CG PHE A 15 10.599 4.840 2.019 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.262 3.688 1.626 1.00 1.93 C ATOM 239 CD2 PHE A 15 10.683 5.962 1.216 1.00 1.74 C ATOM 240 CE1 PHE A 15 11.992 3.658 0.454 1.00 2.54 C ATOM 241 CE2 PHE A 15 11.414 5.939 0.043 1.00 2.35 C ATOM 242 CZ PHE A 15 12.069 4.785 -0.337 1.00 2.57 C ATOM 0 H PHE A 15 8.788 4.485 5.541 1.00 0.48 H new ATOM 0 HA PHE A 15 11.223 3.660 4.315 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.987 4.137 3.213 1.00 0.68 H new ATOM 0 HB3 PHE A 15 9.339 5.843 3.407 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.207 2.804 2.243 1.00 1.93 H new ATOM 0 HD2 PHE A 15 10.172 6.867 1.508 1.00 1.74 H new ATOM 0 HE1 PHE A 15 12.502 2.753 0.157 1.00 2.54 H new ATOM 0 HE2 PHE A 15 11.473 6.823 -0.575 1.00 2.35 H new ATOM 0 HZ PHE A 15 12.641 4.765 -1.253 1.00 2.57 H new ATOM 252 N HIS A 16 11.044 6.660 5.637 1.00 0.59 N ATOM 253 CA HIS A 16 11.842 7.776 6.139 1.00 0.71 C ATOM 254 C HIS A 16 12.892 7.287 7.131 1.00 0.75 C ATOM 255 O HIS A 16 13.872 7.971 7.394 1.00 0.88 O ATOM 256 CB HIS A 16 10.959 8.827 6.820 1.00 0.77 C ATOM 257 CG HIS A 16 10.117 9.632 5.880 1.00 1.15 C ATOM 258 ND1 HIS A 16 8.774 9.850 6.075 1.00 1.82 N ATOM 259 CD2 HIS A 16 10.446 10.308 4.756 1.00 1.84 C ATOM 260 CE1 HIS A 16 8.313 10.625 5.114 1.00 2.22 C ATOM 261 NE2 HIS A 16 9.305 10.923 4.297 1.00 2.23 N ATOM 0 H HIS A 16 10.067 6.680 5.930 1.00 0.59 H new ATOM 0 HA HIS A 16 12.337 8.231 5.281 1.00 0.71 H new ATOM 0 HB2 HIS A 16 10.306 8.327 7.535 1.00 0.77 H new ATOM 0 HB3 HIS A 16 11.595 9.505 7.389 1.00 0.77 H new ATOM 0 HD2 HIS A 16 11.425 10.356 4.302 1.00 1.84 H new ATOM 0 HE1 HIS A 16 7.292 10.961 5.012 1.00 2.22 H new ATOM 0 HE2 HIS A 16 9.237 11.510 3.466 1.00 2.23 H new ATOM 270 N GLN A 17 12.660 6.118 7.705 1.00 0.69 N ATOM 271 CA GLN A 17 13.589 5.545 8.669 1.00 0.81 C ATOM 272 C GLN A 17 14.765 4.862 7.969 1.00 0.93 C ATOM 273 O GLN A 17 15.927 5.162 8.248 1.00 1.18 O ATOM 274 CB GLN A 17 12.868 4.533 9.564 1.00 0.85 C ATOM 275 CG GLN A 17 13.760 3.918 10.631 1.00 1.27 C ATOM 276 CD GLN A 17 13.112 2.744 11.339 1.00 1.99 C ATOM 277 OE1 GLN A 17 11.793 2.766 11.451 1.00 2.60 O flip ATOM 278 NE2 GLN A 17 13.796 1.822 11.787 1.00 2.77 N flip ATOM 0 H GLN A 17 11.836 5.546 7.521 1.00 0.69 H new ATOM 0 HA GLN A 17 13.977 6.360 9.280 1.00 0.81 H new ATOM 0 HB2 GLN A 17 12.024 5.025 10.048 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.459 3.737 8.942 1.00 0.85 H new ATOM 0 HG2 GLN A 17 14.692 3.589 10.172 1.00 1.27 H new ATOM 0 HG3 GLN A 17 14.018 4.681 11.365 1.00 1.27 H new ATOM 0 HE21 GLN A 17 14.810 1.841 11.681 1.00 2.77 H new ATOM 0 HE22 GLN A 17 13.348 1.040 12.264 1.00 2.77 H new ATOM 452 N LEU A 28 17.256 6.378 -2.610 1.00 1.14 N ATOM 453 CA LEU A 28 18.278 5.832 -3.491 1.00 0.90 C ATOM 454 C LEU A 28 17.928 4.431 -4.003 1.00 0.71 C ATOM 455 O LEU A 28 16.783 4.152 -4.362 1.00 0.76 O ATOM 456 CB LEU A 28 19.631 5.815 -2.770 1.00 1.66 C ATOM 457 CG LEU A 28 20.147 7.178 -2.299 1.00 2.02 C ATOM 458 CD1 LEU A 28 21.455 7.018 -1.542 1.00 2.91 C ATOM 459 CD2 LEU A 28 20.330 8.123 -3.479 1.00 2.37 C ATOM 0 HA LEU A 28 18.335 6.481 -4.365 1.00 0.90 H new ATOM 0 HB2 LEU A 28 19.553 5.157 -1.904 1.00 1.66 H new ATOM 0 HB3 LEU A 28 20.373 5.377 -3.438 1.00 1.66 H new ATOM 0 HG LEU A 28 19.406 7.609 -1.626 1.00 2.02 H new ATOM 0 HD11 LEU A 28 21.808 7.996 -1.214 1.00 2.91 H new ATOM 0 HD12 LEU A 28 21.297 6.380 -0.673 1.00 2.91 H new ATOM 0 HD13 LEU A 28 22.200 6.564 -2.195 1.00 2.91 H new ATOM 0 HD21 LEU A 28 20.697 9.085 -3.121 1.00 2.37 H new ATOM 0 HD22 LEU A 28 21.050 7.697 -4.178 1.00 2.37 H new ATOM 0 HD23 LEU A 28 19.374 8.264 -3.984 1.00 2.37 H new ATOM 471 N SER A 29 18.926 3.554 -4.033 1.00 0.61 N ATOM 472 CA SER A 29 18.825 2.287 -4.744 1.00 0.49 C ATOM 473 C SER A 29 18.389 1.119 -3.848 1.00 0.44 C ATOM 474 O SER A 29 17.990 1.327 -2.702 1.00 0.53 O ATOM 475 CB SER A 29 20.163 1.983 -5.414 1.00 0.55 C ATOM 476 OG SER A 29 20.524 3.024 -6.304 1.00 1.35 O ATOM 0 H SER A 29 19.822 3.701 -3.568 1.00 0.61 H new ATOM 0 HA SER A 29 18.041 2.393 -5.494 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.936 1.862 -4.655 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.098 1.040 -5.957 1.00 0.55 H new ATOM 0 HG SER A 29 19.912 3.027 -7.069 1.00 1.35 H new ATOM 482 N LYS A 30 18.460 -0.096 -4.393 1.00 0.38 N ATOM 483 CA LYS A 30 17.938 -1.306 -3.747 1.00 0.36 C ATOM 484 C LYS A 30 18.348 -1.448 -2.276 1.00 0.36 C ATOM 485 O LYS A 30 17.538 -1.873 -1.462 1.00 0.37 O ATOM 486 CB LYS A 30 18.404 -2.536 -4.527 1.00 0.39 C ATOM 487 CG LYS A 30 17.406 -3.686 -4.513 1.00 0.41 C ATOM 488 CD LYS A 30 17.943 -4.917 -5.230 1.00 0.50 C ATOM 489 CE LYS A 30 18.477 -4.594 -6.622 1.00 0.52 C ATOM 490 NZ LYS A 30 17.428 -4.050 -7.527 1.00 1.32 N ATOM 0 H LYS A 30 18.885 -0.272 -5.303 1.00 0.38 H new ATOM 0 HA LYS A 30 16.851 -1.221 -3.757 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.598 -2.248 -5.560 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.350 -2.883 -4.110 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.165 -3.944 -3.482 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.478 -3.366 -4.987 1.00 0.41 H new ATOM 0 HD2 LYS A 30 18.739 -5.363 -4.633 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.150 -5.661 -5.312 1.00 0.50 H new ATOM 0 HE2 LYS A 30 19.288 -3.871 -6.537 1.00 0.52 H new ATOM 0 HE3 LYS A 30 18.899 -5.497 -7.063 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 17.868 -3.722 -8.411 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 16.734 -4.794 -7.741 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 16.948 -3.253 -7.062 1.00 1.32 H new ATOM 504 N GLY A 31 19.583 -1.066 -1.947 1.00 0.39 N ATOM 505 CA GLY A 31 20.143 -1.309 -0.615 1.00 0.40 C ATOM 506 C GLY A 31 19.206 -1.003 0.540 1.00 0.38 C ATOM 507 O GLY A 31 18.916 -1.869 1.366 1.00 0.39 O ATOM 0 H GLY A 31 20.217 -0.586 -2.586 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.447 -2.354 -0.550 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.045 -0.707 -0.501 1.00 0.40 H new ATOM 511 N GLU A 32 18.745 0.229 0.596 1.00 0.44 N ATOM 512 CA GLU A 32 17.882 0.693 1.679 1.00 0.50 C ATOM 513 C GLU A 32 16.533 -0.013 1.691 1.00 0.42 C ATOM 514 O GLU A 32 15.979 -0.287 2.759 1.00 0.44 O ATOM 515 CB GLU A 32 17.693 2.196 1.576 1.00 0.67 C ATOM 516 CG GLU A 32 17.383 2.673 0.174 1.00 0.96 C ATOM 517 CD GLU A 32 17.944 4.047 -0.086 1.00 1.58 C ATOM 518 OE1 GLU A 32 19.190 4.179 -0.119 1.00 2.10 O ATOM 519 OE2 GLU A 32 17.158 5.000 -0.234 1.00 2.44 O ATOM 0 H GLU A 32 18.954 0.941 -0.104 1.00 0.44 H new ATOM 0 HA GLU A 32 18.375 0.448 2.620 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.884 2.498 2.241 1.00 0.67 H new ATOM 0 HB3 GLU A 32 18.597 2.692 1.928 1.00 0.67 H new ATOM 0 HG2 GLU A 32 17.795 1.969 -0.549 1.00 0.96 H new ATOM 0 HG3 GLU A 32 16.303 2.687 0.025 1.00 0.96 H new ATOM 526 N LEU A 33 16.005 -0.306 0.512 1.00 0.38 N ATOM 527 CA LEU A 33 14.759 -1.036 0.410 1.00 0.34 C ATOM 528 C LEU A 33 14.970 -2.434 0.939 1.00 0.29 C ATOM 529 O LEU A 33 14.179 -2.942 1.710 1.00 0.32 O ATOM 530 CB LEU A 33 14.295 -1.113 -1.036 1.00 0.34 C ATOM 531 CG LEU A 33 12.846 -1.553 -1.209 1.00 0.39 C ATOM 532 CD1 LEU A 33 11.905 -0.467 -0.714 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.561 -1.905 -2.657 1.00 0.46 C ATOM 0 H LEU A 33 16.422 -0.049 -0.383 1.00 0.38 H new ATOM 0 HA LEU A 33 13.996 -0.518 0.991 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.423 -0.134 -1.498 1.00 0.34 H new ATOM 0 HB3 LEU A 33 14.940 -1.807 -1.575 1.00 0.34 H new ATOM 0 HG LEU A 33 12.679 -2.449 -0.611 1.00 0.39 H new ATOM 0 HD11 LEU A 33 10.873 -0.793 -0.843 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.095 -0.274 0.342 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.071 0.446 -1.285 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.521 -2.216 -2.758 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.741 -1.033 -3.286 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.215 -2.719 -2.969 1.00 0.46 H new ATOM 545 N LYS A 34 16.071 -3.019 0.520 1.00 0.29 N ATOM 546 CA LYS A 34 16.480 -4.342 0.939 1.00 0.31 C ATOM 547 C LYS A 34 16.616 -4.402 2.458 1.00 0.35 C ATOM 548 O LYS A 34 16.159 -5.352 3.095 1.00 0.41 O ATOM 549 CB LYS A 34 17.795 -4.671 0.225 1.00 0.34 C ATOM 550 CG LYS A 34 18.504 -5.935 0.700 1.00 0.53 C ATOM 551 CD LYS A 34 19.446 -5.654 1.860 1.00 0.85 C ATOM 552 CE LYS A 34 20.148 -6.915 2.326 1.00 1.30 C ATOM 553 NZ LYS A 34 21.109 -6.638 3.425 1.00 1.87 N ATOM 0 H LYS A 34 16.719 -2.580 -0.134 1.00 0.29 H new ATOM 0 HA LYS A 34 15.731 -5.086 0.669 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.594 -4.768 -0.842 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.474 -3.827 0.346 1.00 0.34 H new ATOM 0 HG2 LYS A 34 17.763 -6.674 1.005 1.00 0.53 H new ATOM 0 HG3 LYS A 34 19.066 -6.369 -0.127 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.187 -4.915 1.557 1.00 0.85 H new ATOM 0 HD3 LYS A 34 18.885 -5.222 2.689 1.00 0.85 H new ATOM 0 HE2 LYS A 34 19.407 -7.639 2.665 1.00 1.30 H new ATOM 0 HE3 LYS A 34 20.676 -7.368 1.487 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 21.569 -7.524 3.716 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 21.831 -5.966 3.094 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 20.601 -6.229 4.235 1.00 1.87 H new ATOM 567 N GLN A 35 17.248 -3.382 3.026 1.00 0.35 N ATOM 568 CA GLN A 35 17.348 -3.242 4.467 1.00 0.43 C ATOM 569 C GLN A 35 15.961 -3.272 5.095 1.00 0.43 C ATOM 570 O GLN A 35 15.665 -4.144 5.908 1.00 0.50 O ATOM 571 CB GLN A 35 18.053 -1.934 4.810 1.00 0.50 C ATOM 572 CG GLN A 35 18.230 -1.721 6.293 1.00 1.07 C ATOM 573 CD GLN A 35 18.921 -0.412 6.611 1.00 1.68 C ATOM 574 OE1 GLN A 35 18.274 0.622 6.773 1.00 2.46 O ATOM 575 NE2 GLN A 35 20.241 -0.444 6.698 1.00 2.07 N ATOM 0 H GLN A 35 17.702 -2.634 2.501 1.00 0.35 H new ATOM 0 HA GLN A 35 17.928 -4.074 4.866 1.00 0.43 H new ATOM 0 HB2 GLN A 35 19.031 -1.920 4.329 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.482 -1.103 4.396 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.254 -1.741 6.779 1.00 1.07 H new ATOM 0 HG3 GLN A 35 18.810 -2.545 6.709 1.00 1.07 H new ATOM 0 HE21 GLN A 35 20.740 -1.322 6.557 1.00 2.07 H new ATOM 0 HE22 GLN A 35 20.759 0.410 6.906 1.00 2.07 H new ATOM 584 N LEU A 36 15.114 -2.331 4.682 1.00 0.38 N ATOM 585 CA LEU A 36 13.739 -2.251 5.157 1.00 0.39 C ATOM 586 C LEU A 36 13.064 -3.612 5.046 1.00 0.38 C ATOM 587 O LEU A 36 12.685 -4.205 6.034 1.00 0.45 O ATOM 588 CB LEU A 36 12.983 -1.196 4.330 1.00 0.36 C ATOM 589 CG LEU A 36 11.552 -0.867 4.776 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.175 0.529 4.312 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.555 -1.874 4.220 1.00 0.40 C ATOM 0 H LEU A 36 15.363 -1.605 4.010 1.00 0.38 H new ATOM 0 HA LEU A 36 13.728 -1.956 6.206 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.564 -0.274 4.342 1.00 0.36 H new ATOM 0 HB3 LEU A 36 12.947 -1.536 3.295 1.00 0.36 H new ATOM 0 HG LEU A 36 11.519 -0.916 5.864 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.158 0.756 4.632 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.863 1.255 4.746 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.233 0.579 3.225 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.551 -1.614 4.554 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.591 -1.858 3.131 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.809 -2.872 4.577 1.00 0.40 H new ATOM 603 N LEU A 37 12.988 -4.112 3.837 1.00 0.34 N ATOM 604 CA LEU A 37 12.263 -5.331 3.521 1.00 0.35 C ATOM 605 C LEU A 37 12.673 -6.519 4.386 1.00 0.41 C ATOM 606 O LEU A 37 11.818 -7.213 4.933 1.00 0.45 O ATOM 607 CB LEU A 37 12.488 -5.649 2.053 1.00 0.34 C ATOM 608 CG LEU A 37 11.913 -4.609 1.095 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.260 -4.942 -0.344 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.411 -4.504 1.288 1.00 0.32 C ATOM 0 H LEU A 37 13.434 -3.680 3.027 1.00 0.34 H new ATOM 0 HA LEU A 37 11.207 -5.159 3.731 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.559 -5.741 1.872 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.043 -6.618 1.830 1.00 0.34 H new ATOM 0 HG LEU A 37 12.360 -3.641 1.320 1.00 0.30 H new ATOM 0 HD11 LEU A 37 11.838 -4.185 -1.005 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.343 -4.963 -0.462 1.00 0.38 H new ATOM 0 HD13 LEU A 37 11.848 -5.918 -0.601 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.007 -3.760 0.601 1.00 0.32 H new ATOM 0 HD22 LEU A 37 9.950 -5.471 1.088 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.196 -4.205 2.314 1.00 0.32 H new ATOM 622 N THR A 38 13.970 -6.738 4.525 1.00 0.45 N ATOM 623 CA THR A 38 14.468 -7.914 5.213 1.00 0.53 C ATOM 624 C THR A 38 14.127 -7.895 6.700 1.00 0.59 C ATOM 625 O THR A 38 13.825 -8.934 7.284 1.00 0.66 O ATOM 626 CB THR A 38 15.993 -8.060 5.039 1.00 0.55 C ATOM 627 OG1 THR A 38 16.646 -6.816 5.327 1.00 1.23 O ATOM 628 CG2 THR A 38 16.341 -8.504 3.629 1.00 1.03 C ATOM 0 H THR A 38 14.696 -6.116 4.170 1.00 0.45 H new ATOM 0 HA THR A 38 13.971 -8.771 4.757 1.00 0.53 H new ATOM 0 HB THR A 38 16.339 -8.821 5.738 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.614 -6.239 4.536 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.423 -8.599 3.534 1.00 1.03 H new ATOM 0 HG22 THR A 38 15.873 -9.467 3.425 1.00 1.03 H new ATOM 0 HG23 THR A 38 15.978 -7.765 2.915 1.00 1.03 H new ATOM 636 N LYS A 39 14.192 -6.722 7.317 1.00 0.58 N ATOM 637 CA LYS A 39 13.965 -6.620 8.749 1.00 0.66 C ATOM 638 C LYS A 39 12.537 -6.194 9.111 1.00 0.64 C ATOM 639 O LYS A 39 12.070 -6.454 10.219 1.00 0.72 O ATOM 640 CB LYS A 39 14.980 -5.661 9.364 1.00 0.72 C ATOM 641 CG LYS A 39 14.935 -4.259 8.785 1.00 0.68 C ATOM 642 CD LYS A 39 16.292 -3.569 8.867 1.00 0.73 C ATOM 643 CE LYS A 39 16.786 -3.469 10.301 1.00 0.87 C ATOM 644 NZ LYS A 39 18.132 -2.845 10.385 1.00 1.61 N ATOM 0 H LYS A 39 14.398 -5.838 6.852 1.00 0.58 H new ATOM 0 HA LYS A 39 14.096 -7.620 9.163 1.00 0.66 H new ATOM 0 HB2 LYS A 39 14.806 -5.605 10.439 1.00 0.72 H new ATOM 0 HB3 LYS A 39 15.981 -6.069 9.224 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.613 -4.306 7.745 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.193 -3.668 9.322 1.00 0.68 H new ATOM 0 HD2 LYS A 39 17.018 -4.121 8.270 1.00 0.73 H new ATOM 0 HD3 LYS A 39 16.219 -2.570 8.437 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.078 -2.884 10.888 1.00 0.87 H new ATOM 0 HE3 LYS A 39 16.820 -4.465 10.743 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 18.431 -2.796 11.380 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 18.814 -3.417 9.846 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 18.095 -1.885 9.987 1.00 1.61 H new ATOM 658 N GLU A 40 11.852 -5.539 8.187 1.00 0.57 N ATOM 659 CA GLU A 40 10.578 -4.908 8.470 1.00 0.58 C ATOM 660 C GLU A 40 9.418 -5.746 7.929 1.00 0.56 C ATOM 661 O GLU A 40 8.357 -5.828 8.547 1.00 0.64 O ATOM 662 CB GLU A 40 10.601 -3.529 7.817 1.00 0.58 C ATOM 663 CG GLU A 40 9.381 -2.687 8.052 1.00 0.87 C ATOM 664 CD GLU A 40 9.318 -2.118 9.457 1.00 1.14 C ATOM 665 OE1 GLU A 40 10.290 -2.306 10.225 1.00 1.63 O ATOM 666 OE2 GLU A 40 8.308 -1.465 9.788 1.00 1.67 O ATOM 0 H GLU A 40 12.165 -5.431 7.222 1.00 0.57 H new ATOM 0 HA GLU A 40 10.428 -4.821 9.546 1.00 0.58 H new ATOM 0 HB2 GLU A 40 11.473 -2.986 8.183 1.00 0.58 H new ATOM 0 HB3 GLU A 40 10.733 -3.656 6.743 1.00 0.58 H new ATOM 0 HG2 GLU A 40 9.367 -1.868 7.333 1.00 0.87 H new ATOM 0 HG3 GLU A 40 8.490 -3.288 7.868 1.00 0.87 H new ATOM 673 N LEU A 41 9.635 -6.387 6.783 1.00 0.50 N ATOM 674 CA LEU A 41 8.598 -7.197 6.142 1.00 0.49 C ATOM 675 C LEU A 41 9.083 -8.635 6.020 1.00 0.52 C ATOM 676 O LEU A 41 8.709 -9.369 5.096 1.00 0.53 O ATOM 677 CB LEU A 41 8.256 -6.631 4.756 1.00 0.43 C ATOM 678 CG LEU A 41 7.953 -5.127 4.721 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.534 -4.702 3.324 1.00 1.22 C ATOM 680 CD2 LEU A 41 6.880 -4.760 5.737 1.00 1.42 C ATOM 0 H LEU A 41 10.520 -6.362 6.277 1.00 0.50 H new ATOM 0 HA LEU A 41 7.696 -7.172 6.753 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.089 -6.833 4.083 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.392 -7.169 4.365 1.00 0.43 H new ATOM 0 HG LEU A 41 8.865 -4.592 4.988 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.323 -3.633 3.317 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.339 -4.918 2.621 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.639 -5.250 3.030 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.686 -3.688 5.690 1.00 1.42 H new ATOM 0 HD22 LEU A 41 5.964 -5.305 5.511 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.222 -5.023 6.738 1.00 1.42 H new ATOM 692 N ALA A 42 9.923 -9.015 6.980 1.00 0.58 N ATOM 693 CA ALA A 42 10.601 -10.309 6.995 1.00 0.64 C ATOM 694 C ALA A 42 9.653 -11.493 6.827 1.00 0.71 C ATOM 695 O ALA A 42 10.005 -12.484 6.186 1.00 0.78 O ATOM 696 CB ALA A 42 11.387 -10.465 8.285 1.00 0.71 C ATOM 0 H ALA A 42 10.155 -8.425 7.779 1.00 0.58 H new ATOM 0 HA ALA A 42 11.271 -10.317 6.135 1.00 0.64 H new ATOM 0 HB1 ALA A 42 11.890 -11.432 8.290 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.129 -9.670 8.358 1.00 0.71 H new ATOM 0 HB3 ALA A 42 10.707 -10.406 9.135 1.00 0.71 H new ATOM 702 N ASN A 43 8.463 -11.404 7.395 1.00 0.74 N ATOM 703 CA ASN A 43 7.534 -12.524 7.361 1.00 0.83 C ATOM 704 C ASN A 43 6.256 -12.139 6.627 1.00 0.83 C ATOM 705 O ASN A 43 5.163 -12.594 6.960 1.00 1.07 O ATOM 706 CB ASN A 43 7.218 -13.006 8.782 1.00 0.99 C ATOM 707 CG ASN A 43 6.494 -14.347 8.813 1.00 1.28 C ATOM 708 OD1 ASN A 43 6.807 -15.223 7.866 1.00 1.56 O flip ATOM 709 ND2 ASN A 43 5.677 -14.603 9.697 1.00 2.16 N flip ATOM 0 H ASN A 43 8.118 -10.577 7.881 1.00 0.74 H new ATOM 0 HA ASN A 43 8.005 -13.344 6.819 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.147 -13.089 9.346 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.605 -12.258 9.285 1.00 0.99 H new ATOM 0 HD21 ASN A 43 5.461 -13.905 10.409 1.00 2.16 H new ATOM 0 HD22 ASN A 43 5.216 -15.513 9.718 1.00 2.16 H new ATOM 716 N THR A 44 6.392 -11.293 5.622 1.00 0.65 N ATOM 717 CA THR A 44 5.257 -10.940 4.796 1.00 0.61 C ATOM 718 C THR A 44 5.466 -11.470 3.393 1.00 0.59 C ATOM 719 O THR A 44 4.715 -12.310 2.900 1.00 0.66 O ATOM 720 CB THR A 44 5.067 -9.420 4.710 1.00 0.56 C ATOM 721 OG1 THR A 44 5.648 -8.787 5.853 1.00 0.65 O ATOM 722 CG2 THR A 44 3.587 -9.078 4.628 1.00 0.53 C ATOM 0 H THR A 44 7.269 -10.842 5.361 1.00 0.65 H new ATOM 0 HA THR A 44 4.371 -11.380 5.253 1.00 0.61 H new ATOM 0 HB THR A 44 5.564 -9.057 3.810 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.769 -7.832 5.671 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.466 -7.996 4.567 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.155 -9.542 3.741 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.078 -9.451 5.517 1.00 0.53 H new ATOM 730 N ILE A 45 6.519 -10.978 2.775 1.00 0.52 N ATOM 731 CA ILE A 45 6.833 -11.299 1.402 1.00 0.52 C ATOM 732 C ILE A 45 7.638 -12.593 1.347 1.00 0.59 C ATOM 733 O ILE A 45 8.515 -12.810 2.185 1.00 0.60 O ATOM 734 CB ILE A 45 7.637 -10.147 0.775 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.963 -8.792 1.055 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.795 -10.373 -0.721 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.698 -7.611 0.457 1.00 0.36 C ATOM 0 H ILE A 45 7.183 -10.341 3.215 1.00 0.52 H new ATOM 0 HA ILE A 45 5.909 -11.435 0.840 1.00 0.52 H new ATOM 0 HB ILE A 45 8.627 -10.127 1.230 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.947 -8.813 0.661 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.884 -8.651 2.133 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.366 -9.552 -1.155 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.322 -11.312 -0.894 1.00 0.47 H new ATOM 0 HG23 ILE A 45 6.811 -10.418 -1.188 1.00 0.47 H new ATOM 0 HD11 ILE A 45 7.164 -6.691 0.696 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.706 -7.563 0.869 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.754 -7.727 -0.625 1.00 0.36 H new ATOM 749 N LYS A 46 7.311 -13.470 0.390 1.00 0.67 N ATOM 750 CA LYS A 46 7.999 -14.753 0.267 1.00 0.73 C ATOM 751 C LYS A 46 9.500 -14.541 0.142 1.00 0.68 C ATOM 752 O LYS A 46 9.954 -13.773 -0.703 1.00 0.63 O ATOM 753 CB LYS A 46 7.452 -15.570 -0.931 1.00 0.82 C ATOM 754 CG LYS A 46 8.082 -15.265 -2.292 1.00 0.79 C ATOM 755 CD LYS A 46 9.350 -16.087 -2.525 1.00 0.75 C ATOM 756 CE LYS A 46 9.958 -15.817 -3.892 1.00 0.88 C ATOM 757 NZ LYS A 46 9.190 -16.454 -4.992 1.00 1.61 N ATOM 0 H LYS A 46 6.580 -13.313 -0.304 1.00 0.67 H new ATOM 0 HA LYS A 46 7.808 -15.329 1.172 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.592 -16.630 -0.717 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.378 -15.398 -1.003 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.361 -15.476 -3.082 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.320 -14.203 -2.353 1.00 0.79 H new ATOM 0 HD2 LYS A 46 10.081 -15.854 -1.750 1.00 0.75 H new ATOM 0 HD3 LYS A 46 9.117 -17.148 -2.435 1.00 0.75 H new ATOM 0 HE2 LYS A 46 10.003 -14.741 -4.060 1.00 0.88 H new ATOM 0 HE3 LYS A 46 10.984 -16.185 -3.909 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 9.645 -16.240 -5.902 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 9.168 -17.484 -4.849 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 8.218 -16.085 -4.996 1.00 1.61 H new ATOM 771 N ASN A 47 10.248 -15.207 1.019 1.00 0.71 N ATOM 772 CA ASN A 47 11.712 -15.159 1.016 1.00 0.67 C ATOM 773 C ASN A 47 12.239 -13.751 0.805 1.00 0.59 C ATOM 774 O ASN A 47 13.172 -13.545 0.036 1.00 0.57 O ATOM 775 CB ASN A 47 12.294 -16.076 -0.059 1.00 0.69 C ATOM 776 CG ASN A 47 12.205 -17.544 0.299 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.278 -17.982 0.978 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.172 -18.318 -0.161 1.00 1.24 N ATOM 0 H ASN A 47 9.857 -15.797 1.754 1.00 0.71 H new ATOM 0 HA ASN A 47 12.030 -15.504 2.000 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.767 -15.905 -0.998 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.338 -15.812 -0.227 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.167 -19.317 0.044 1.00 1.24 H new ATOM 0 HD22 ASN A 47 13.924 -17.916 -0.721 1.00 1.24 H new ATOM 785 N ILE A 48 11.648 -12.785 1.495 1.00 0.55 N ATOM 786 CA ILE A 48 12.064 -11.388 1.377 1.00 0.48 C ATOM 787 C ILE A 48 13.515 -11.212 1.829 1.00 0.48 C ATOM 788 O ILE A 48 14.112 -10.147 1.696 1.00 0.43 O ATOM 789 CB ILE A 48 11.149 -10.471 2.213 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.392 -9.000 1.872 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.372 -10.710 3.697 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.222 -8.686 0.405 1.00 0.38 C ATOM 0 H ILE A 48 10.877 -12.940 2.145 1.00 0.55 H new ATOM 0 HA ILE A 48 11.983 -11.107 0.327 1.00 0.48 H new ATOM 0 HB ILE A 48 10.114 -10.712 1.970 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.704 -8.383 2.450 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.401 -8.726 2.180 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.719 -10.055 4.273 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.146 -11.749 3.936 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.411 -10.497 3.948 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.409 -7.626 0.236 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.929 -9.277 -0.178 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.205 -8.929 0.096 1.00 0.38 H new ATOM 804 N LYS A 49 14.070 -12.280 2.358 1.00 0.56 N ATOM 805 CA LYS A 49 15.434 -12.287 2.827 1.00 0.57 C ATOM 806 C LYS A 49 16.384 -12.568 1.673 1.00 0.55 C ATOM 807 O LYS A 49 17.600 -12.425 1.801 1.00 0.56 O ATOM 808 CB LYS A 49 15.581 -13.345 3.907 1.00 0.65 C ATOM 809 CG LYS A 49 14.538 -13.216 5.009 1.00 0.73 C ATOM 810 CD LYS A 49 14.589 -11.856 5.698 1.00 0.72 C ATOM 811 CE LYS A 49 15.521 -11.847 6.906 1.00 0.82 C ATOM 812 NZ LYS A 49 16.923 -12.204 6.559 1.00 1.11 N ATOM 0 H LYS A 49 13.585 -13.170 2.474 1.00 0.56 H new ATOM 0 HA LYS A 49 15.684 -11.311 3.242 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.503 -14.333 3.454 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.576 -13.273 4.346 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.545 -13.370 4.586 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.695 -14.001 5.748 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.919 -11.102 4.983 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.585 -11.576 6.016 1.00 0.72 H new ATOM 0 HE2 LYS A 49 15.506 -10.857 7.363 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.147 -12.548 7.652 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 17.559 -11.894 7.321 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 17.000 -13.234 6.441 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.192 -11.733 5.672 1.00 1.11 H new ATOM 826 N ASP A 50 15.813 -12.964 0.544 1.00 0.55 N ATOM 827 CA ASP A 50 16.591 -13.262 -0.648 1.00 0.56 C ATOM 828 C ASP A 50 16.749 -12.038 -1.517 1.00 0.50 C ATOM 829 O ASP A 50 15.779 -11.372 -1.866 1.00 0.47 O ATOM 830 CB ASP A 50 15.949 -14.382 -1.466 1.00 0.62 C ATOM 831 CG ASP A 50 16.383 -15.762 -1.017 1.00 0.97 C ATOM 832 OD1 ASP A 50 15.802 -16.303 -0.055 1.00 1.57 O ATOM 833 OD2 ASP A 50 17.320 -16.318 -1.633 1.00 1.58 O ATOM 0 H ASP A 50 14.807 -13.087 0.430 1.00 0.55 H new ATOM 0 HA ASP A 50 17.575 -13.589 -0.311 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.864 -14.305 -1.390 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.205 -14.250 -2.517 1.00 0.62 H new ATOM 838 N LYS A 51 17.991 -11.764 -1.872 1.00 0.50 N ATOM 839 CA LYS A 51 18.327 -10.674 -2.771 1.00 0.48 C ATOM 840 C LYS A 51 17.691 -10.901 -4.133 1.00 0.50 C ATOM 841 O LYS A 51 17.359 -9.953 -4.840 1.00 0.48 O ATOM 842 CB LYS A 51 19.838 -10.598 -2.911 1.00 0.53 C ATOM 843 CG LYS A 51 20.337 -9.533 -3.875 1.00 0.83 C ATOM 844 CD LYS A 51 20.015 -8.132 -3.390 1.00 0.60 C ATOM 845 CE LYS A 51 20.627 -7.083 -4.304 1.00 0.83 C ATOM 846 NZ LYS A 51 22.104 -7.225 -4.408 1.00 0.92 N ATOM 0 H LYS A 51 18.799 -12.293 -1.544 1.00 0.50 H new ATOM 0 HA LYS A 51 17.947 -9.737 -2.364 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.271 -10.410 -1.928 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.207 -11.569 -3.241 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.415 -9.634 -4.001 1.00 0.83 H new ATOM 0 HG3 LYS A 51 19.885 -9.690 -4.855 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.934 -7.997 -3.349 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.391 -7.999 -2.376 1.00 0.60 H new ATOM 0 HE2 LYS A 51 20.185 -7.165 -5.297 1.00 0.83 H new ATOM 0 HE3 LYS A 51 20.384 -6.089 -3.928 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.548 -6.286 -4.355 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.452 -7.817 -3.627 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.347 -7.672 -5.315 1.00 0.92 H new ATOM 860 N ALA A 52 17.516 -12.169 -4.479 1.00 0.55 N ATOM 861 CA ALA A 52 16.865 -12.540 -5.722 1.00 0.60 C ATOM 862 C ALA A 52 15.415 -12.120 -5.667 1.00 0.58 C ATOM 863 O ALA A 52 14.844 -11.654 -6.652 1.00 0.60 O ATOM 864 CB ALA A 52 16.962 -14.037 -5.942 1.00 0.67 C ATOM 0 H ALA A 52 17.819 -12.960 -3.911 1.00 0.55 H new ATOM 0 HA ALA A 52 17.361 -12.037 -6.552 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.469 -14.300 -6.878 1.00 0.67 H new ATOM 0 HB2 ALA A 52 18.011 -14.331 -5.989 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.476 -14.558 -5.117 1.00 0.67 H new ATOM 870 N VAL A 53 14.851 -12.251 -4.480 1.00 0.54 N ATOM 871 CA VAL A 53 13.462 -11.907 -4.236 1.00 0.53 C ATOM 872 C VAL A 53 13.310 -10.400 -4.191 1.00 0.47 C ATOM 873 O VAL A 53 12.396 -9.828 -4.780 1.00 0.48 O ATOM 874 CB VAL A 53 12.969 -12.517 -2.907 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.662 -11.883 -2.453 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.799 -14.016 -3.047 1.00 0.60 C ATOM 0 H VAL A 53 15.343 -12.599 -3.657 1.00 0.54 H new ATOM 0 HA VAL A 53 12.859 -12.314 -5.048 1.00 0.53 H new ATOM 0 HB VAL A 53 13.724 -12.311 -2.148 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.344 -12.337 -1.514 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.808 -10.813 -2.308 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.896 -12.045 -3.212 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.451 -14.433 -2.102 1.00 0.60 H new ATOM 0 HG22 VAL A 53 12.069 -14.228 -3.828 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.755 -14.467 -3.312 1.00 0.60 H new ATOM 886 N ILE A 54 14.243 -9.768 -3.507 1.00 0.42 N ATOM 887 CA ILE A 54 14.233 -8.328 -3.349 1.00 0.36 C ATOM 888 C ILE A 54 14.433 -7.638 -4.681 1.00 0.38 C ATOM 889 O ILE A 54 13.839 -6.596 -4.953 1.00 0.38 O ATOM 890 CB ILE A 54 15.323 -7.898 -2.377 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.009 -8.494 -1.014 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.428 -6.376 -2.307 1.00 0.32 C ATOM 893 CD1 ILE A 54 15.923 -8.020 0.080 1.00 0.38 C ATOM 0 H ILE A 54 15.025 -10.235 -3.048 1.00 0.42 H new ATOM 0 HA ILE A 54 13.261 -8.037 -2.950 1.00 0.36 H new ATOM 0 HB ILE A 54 16.291 -8.263 -2.721 1.00 0.35 H new ATOM 0 HG12 ILE A 54 13.981 -8.248 -0.748 1.00 0.37 H new ATOM 0 HG13 ILE A 54 15.070 -9.580 -1.080 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.214 -6.097 -1.605 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.667 -5.982 -3.295 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.478 -5.961 -1.971 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.637 -8.488 1.022 1.00 0.38 H new ATOM 0 HD12 ILE A 54 16.951 -8.290 -0.162 1.00 0.38 H new ATOM 0 HD13 ILE A 54 15.845 -6.937 0.175 1.00 0.38 H new ATOM 905 N ASP A 55 15.267 -8.234 -5.511 1.00 0.43 N ATOM 906 CA ASP A 55 15.516 -7.712 -6.836 1.00 0.47 C ATOM 907 C ASP A 55 14.247 -7.777 -7.644 1.00 0.48 C ATOM 908 O ASP A 55 13.835 -6.798 -8.243 1.00 0.49 O ATOM 909 CB ASP A 55 16.589 -8.518 -7.534 1.00 0.55 C ATOM 910 CG ASP A 55 17.046 -7.846 -8.813 1.00 0.86 C ATOM 911 OD1 ASP A 55 17.458 -6.667 -8.758 1.00 1.53 O ATOM 912 OD2 ASP A 55 16.989 -8.491 -9.878 1.00 1.44 O ATOM 0 H ASP A 55 15.785 -9.084 -5.287 1.00 0.43 H new ATOM 0 HA ASP A 55 15.853 -6.679 -6.746 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.440 -8.648 -6.866 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.208 -9.513 -7.761 1.00 0.55 H new ATOM 917 N GLU A 56 13.635 -8.950 -7.626 1.00 0.51 N ATOM 918 CA GLU A 56 12.356 -9.181 -8.273 1.00 0.54 C ATOM 919 C GLU A 56 11.362 -8.078 -7.930 1.00 0.47 C ATOM 920 O GLU A 56 10.703 -7.512 -8.807 1.00 0.49 O ATOM 921 CB GLU A 56 11.815 -10.529 -7.815 1.00 0.58 C ATOM 922 CG GLU A 56 12.485 -11.712 -8.487 1.00 0.69 C ATOM 923 CD GLU A 56 12.355 -11.670 -9.992 1.00 1.06 C ATOM 924 OE1 GLU A 56 11.341 -12.174 -10.517 1.00 1.77 O ATOM 925 OE2 GLU A 56 13.262 -11.133 -10.660 1.00 1.66 O ATOM 0 H GLU A 56 14.015 -9.773 -7.159 1.00 0.51 H new ATOM 0 HA GLU A 56 12.497 -9.179 -9.354 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.943 -10.615 -6.736 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.744 -10.568 -8.013 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.541 -11.730 -8.217 1.00 0.69 H new ATOM 0 HG3 GLU A 56 12.045 -12.636 -8.113 1.00 0.69 H new ATOM 932 N ILE A 57 11.282 -7.757 -6.649 1.00 0.42 N ATOM 933 CA ILE A 57 10.368 -6.749 -6.172 1.00 0.39 C ATOM 934 C ILE A 57 10.796 -5.358 -6.614 1.00 0.36 C ATOM 935 O ILE A 57 10.015 -4.627 -7.217 1.00 0.37 O ATOM 936 CB ILE A 57 10.304 -6.789 -4.652 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.830 -8.163 -4.185 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.390 -5.700 -4.138 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.906 -8.350 -2.693 1.00 1.00 C ATOM 0 H ILE A 57 11.848 -8.189 -5.919 1.00 0.42 H new ATOM 0 HA ILE A 57 9.387 -6.962 -6.596 1.00 0.39 H new ATOM 0 HB ILE A 57 11.301 -6.614 -4.249 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.800 -8.313 -4.510 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.433 -8.931 -4.670 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.353 -5.740 -3.049 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.769 -4.728 -4.453 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.388 -5.846 -4.541 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.554 -9.348 -2.433 1.00 1.00 H new ATOM 0 HD12 ILE A 57 10.938 -8.232 -2.364 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.281 -7.605 -2.201 1.00 1.00 H new ATOM 951 N PHE A 58 12.041 -5.003 -6.311 1.00 0.35 N ATOM 952 CA PHE A 58 12.564 -3.681 -6.629 1.00 0.36 C ATOM 953 C PHE A 58 12.407 -3.397 -8.112 1.00 0.41 C ATOM 954 O PHE A 58 11.932 -2.335 -8.501 1.00 0.44 O ATOM 955 CB PHE A 58 14.041 -3.567 -6.247 1.00 0.38 C ATOM 956 CG PHE A 58 14.553 -2.155 -6.303 1.00 0.52 C ATOM 957 CD1 PHE A 58 14.799 -1.536 -7.517 1.00 1.12 C ATOM 958 CD2 PHE A 58 14.776 -1.443 -5.140 1.00 1.52 C ATOM 959 CE1 PHE A 58 15.256 -0.238 -7.566 1.00 1.16 C ATOM 960 CE2 PHE A 58 15.236 -0.145 -5.184 1.00 1.68 C ATOM 961 CZ PHE A 58 15.476 0.458 -6.399 1.00 0.93 C ATOM 0 H PHE A 58 12.708 -5.617 -5.843 1.00 0.35 H new ATOM 0 HA PHE A 58 11.995 -2.951 -6.054 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.182 -3.959 -5.240 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.633 -4.190 -6.917 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.630 -2.078 -8.436 1.00 1.12 H new ATOM 0 HD2 PHE A 58 14.587 -1.910 -4.185 1.00 1.52 H new ATOM 0 HE1 PHE A 58 15.442 0.234 -8.520 1.00 1.16 H new ATOM 0 HE2 PHE A 58 15.408 0.399 -4.267 1.00 1.68 H new ATOM 0 HZ PHE A 58 15.836 1.475 -6.436 1.00 0.93 H new ATOM 971 N GLN A 59 12.804 -4.362 -8.926 1.00 0.45 N ATOM 972 CA GLN A 59 12.704 -4.245 -10.371 1.00 0.52 C ATOM 973 C GLN A 59 11.246 -4.072 -10.780 1.00 0.52 C ATOM 974 O GLN A 59 10.940 -3.421 -11.778 1.00 0.57 O ATOM 975 CB GLN A 59 13.278 -5.492 -11.053 1.00 0.58 C ATOM 976 CG GLN A 59 14.772 -5.718 -10.838 1.00 0.61 C ATOM 977 CD GLN A 59 15.617 -4.486 -11.095 1.00 1.10 C ATOM 978 OE1 GLN A 59 15.248 -3.611 -11.879 1.00 1.92 O ATOM 979 NE2 GLN A 59 16.781 -4.434 -10.463 1.00 1.63 N ATOM 0 H GLN A 59 13.203 -5.244 -8.605 1.00 0.45 H new ATOM 0 HA GLN A 59 13.278 -3.373 -10.685 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.738 -6.367 -10.690 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.087 -5.422 -12.124 1.00 0.58 H new ATOM 0 HG2 GLN A 59 14.936 -6.053 -9.814 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.107 -6.521 -11.494 1.00 0.61 H new ATOM 0 HE21 GLN A 59 17.047 -5.181 -9.822 1.00 1.63 H new ATOM 0 HE22 GLN A 59 17.411 -3.647 -10.618 1.00 1.63 H new ATOM 988 N GLY A 60 10.352 -4.665 -9.995 1.00 0.48 N ATOM 989 CA GLY A 60 8.934 -4.532 -10.244 1.00 0.49 C ATOM 990 C GLY A 60 8.431 -3.130 -9.967 1.00 0.47 C ATOM 991 O GLY A 60 7.429 -2.703 -10.536 1.00 0.53 O ATOM 0 H GLY A 60 10.590 -5.239 -9.186 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.723 -4.793 -11.281 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.390 -5.241 -9.620 1.00 0.49 H new ATOM 995 N LEU A 61 9.125 -2.408 -9.091 1.00 0.42 N ATOM 996 CA LEU A 61 8.760 -1.033 -8.787 1.00 0.44 C ATOM 997 C LEU A 61 9.456 -0.118 -9.768 1.00 0.51 C ATOM 998 O LEU A 61 8.828 0.718 -10.411 1.00 0.58 O ATOM 999 CB LEU A 61 9.169 -0.642 -7.360 1.00 0.39 C ATOM 1000 CG LEU A 61 9.318 -1.800 -6.379 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.966 -1.312 -5.094 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.966 -2.440 -6.091 1.00 0.35 C ATOM 0 H LEU A 61 9.939 -2.753 -8.583 1.00 0.42 H new ATOM 0 HA LEU A 61 7.677 -0.939 -8.866 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.116 -0.104 -7.407 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.427 0.052 -6.965 1.00 0.39 H new ATOM 0 HG LEU A 61 9.960 -2.558 -6.828 1.00 0.34 H new ATOM 0 HD11 LEU A 61 10.069 -2.145 -4.399 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.951 -0.902 -5.316 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.344 -0.539 -4.644 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.096 -3.264 -5.389 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.296 -1.697 -5.659 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.537 -2.818 -7.019 1.00 0.35 H new ATOM 1014 N ASP A 62 10.761 -0.327 -9.889 1.00 0.50 N ATOM 1015 CA ASP A 62 11.614 0.482 -10.744 1.00 0.59 C ATOM 1016 C ASP A 62 11.362 0.168 -12.214 1.00 0.70 C ATOM 1017 O ASP A 62 12.158 -0.502 -12.877 1.00 0.75 O ATOM 1018 CB ASP A 62 13.087 0.250 -10.387 1.00 0.57 C ATOM 1019 CG ASP A 62 14.036 1.100 -11.213 1.00 0.64 C ATOM 1020 OD1 ASP A 62 13.864 2.334 -11.262 1.00 1.40 O ATOM 1021 OD2 ASP A 62 14.969 0.534 -11.811 1.00 1.11 O ATOM 0 H ASP A 62 11.258 -1.067 -9.393 1.00 0.50 H new ATOM 0 HA ASP A 62 11.374 1.532 -10.579 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.238 0.468 -9.330 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.330 -0.803 -10.533 1.00 0.57 H new ATOM 1026 N ALA A 63 10.232 0.642 -12.711 1.00 0.78 N ATOM 1027 CA ALA A 63 9.894 0.505 -14.115 1.00 0.94 C ATOM 1028 C ALA A 63 10.699 1.501 -14.932 1.00 1.12 C ATOM 1029 O ALA A 63 10.828 1.377 -16.149 1.00 1.30 O ATOM 1030 CB ALA A 63 8.404 0.713 -14.328 1.00 0.99 C ATOM 0 H ALA A 63 9.528 1.129 -12.156 1.00 0.78 H new ATOM 0 HA ALA A 63 10.142 -0.504 -14.445 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.169 0.606 -15.387 1.00 0.99 H new ATOM 0 HB2 ALA A 63 7.848 -0.030 -13.757 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.125 1.712 -13.993 1.00 0.99 H new ATOM 1036 N ASN A 64 11.247 2.486 -14.233 1.00 1.09 N ATOM 1037 CA ASN A 64 12.086 3.505 -14.842 1.00 1.28 C ATOM 1038 C ASN A 64 13.453 2.922 -15.200 1.00 1.21 C ATOM 1039 O ASN A 64 14.192 3.471 -16.019 1.00 1.37 O ATOM 1040 CB ASN A 64 12.240 4.683 -13.874 1.00 1.34 C ATOM 1041 CG ASN A 64 12.995 5.858 -14.464 1.00 2.03 C ATOM 1042 OD1 ASN A 64 12.922 6.127 -15.664 1.00 2.55 O ATOM 1043 ND2 ASN A 64 13.718 6.571 -13.616 1.00 2.80 N ATOM 0 H ASN A 64 11.121 2.600 -13.227 1.00 1.09 H new ATOM 0 HA ASN A 64 11.616 3.858 -15.760 1.00 1.28 H new ATOM 0 HB2 ASN A 64 11.251 5.017 -13.561 1.00 1.34 H new ATOM 0 HB3 ASN A 64 12.759 4.341 -12.978 1.00 1.34 H new ATOM 0 HD21 ASN A 64 14.244 7.380 -13.948 1.00 2.80 H new ATOM 0 HD22 ASN A 64 13.750 6.312 -12.630 1.00 2.80 H new ATOM 1050 N GLN A 65 13.761 1.785 -14.565 1.00 1.03 N ATOM 1051 CA GLN A 65 14.990 1.033 -14.810 1.00 1.05 C ATOM 1052 C GLN A 65 16.224 1.859 -14.475 1.00 1.04 C ATOM 1053 O GLN A 65 17.243 1.776 -15.161 1.00 1.17 O ATOM 1054 CB GLN A 65 15.060 0.541 -16.257 1.00 1.31 C ATOM 1055 CG GLN A 65 13.943 -0.420 -16.632 1.00 1.37 C ATOM 1056 CD GLN A 65 14.062 -0.932 -18.056 1.00 2.03 C ATOM 1057 OE1 GLN A 65 15.285 -1.057 -18.547 1.00 2.72 O flip ATOM 1058 NE2 GLN A 65 13.059 -1.215 -18.711 1.00 2.57 N flip ATOM 0 H GLN A 65 13.157 1.360 -13.861 1.00 1.03 H new ATOM 0 HA GLN A 65 14.972 0.165 -14.151 1.00 1.05 H new ATOM 0 HB2 GLN A 65 15.027 1.401 -16.926 1.00 1.31 H new ATOM 0 HB3 GLN A 65 16.019 0.049 -16.418 1.00 1.31 H new ATOM 0 HG2 GLN A 65 13.951 -1.266 -15.945 1.00 1.37 H new ATOM 0 HG3 GLN A 65 12.983 0.081 -16.510 1.00 1.37 H new ATOM 0 HE21 GLN A 65 12.133 -1.105 -18.298 1.00 2.57 H new ATOM 0 HE22 GLN A 65 13.154 -1.559 -19.666 1.00 2.57 H new ATOM 1067 N ASP A 66 16.135 2.642 -13.412 1.00 0.93 N ATOM 1068 CA ASP A 66 17.251 3.478 -12.991 1.00 0.95 C ATOM 1069 C ASP A 66 17.839 2.942 -11.693 1.00 0.81 C ATOM 1070 O ASP A 66 18.839 3.447 -11.182 1.00 0.82 O ATOM 1071 CB ASP A 66 16.803 4.934 -12.819 1.00 1.06 C ATOM 1072 CG ASP A 66 17.968 5.884 -12.609 1.00 1.42 C ATOM 1073 OD1 ASP A 66 18.794 6.035 -13.535 1.00 1.89 O ATOM 1074 OD2 ASP A 66 18.061 6.500 -11.527 1.00 2.13 O ATOM 0 H ASP A 66 15.304 2.717 -12.825 1.00 0.93 H new ATOM 0 HA ASP A 66 18.019 3.451 -13.764 1.00 0.95 H new ATOM 0 HB2 ASP A 66 16.241 5.244 -13.700 1.00 1.06 H new ATOM 0 HB3 ASP A 66 16.125 5.003 -11.968 1.00 1.06 H new ATOM 1079 N GLU A 67 17.198 1.891 -11.183 1.00 0.73 N ATOM 1080 CA GLU A 67 17.606 1.229 -9.951 1.00 0.63 C ATOM 1081 C GLU A 67 17.526 2.206 -8.777 1.00 0.58 C ATOM 1082 O GLU A 67 18.454 2.336 -7.981 1.00 0.60 O ATOM 1083 CB GLU A 67 19.011 0.624 -10.103 1.00 0.68 C ATOM 1084 CG GLU A 67 19.463 -0.233 -8.927 1.00 0.97 C ATOM 1085 CD GLU A 67 18.556 -1.414 -8.646 1.00 1.42 C ATOM 1086 OE1 GLU A 67 18.455 -2.324 -9.500 1.00 2.01 O ATOM 1087 OE2 GLU A 67 17.954 -1.450 -7.555 1.00 2.02 O ATOM 0 H GLU A 67 16.375 1.474 -11.619 1.00 0.73 H new ATOM 0 HA GLU A 67 16.922 0.406 -9.743 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.035 0.017 -11.008 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.728 1.433 -10.243 1.00 0.68 H new ATOM 0 HG2 GLU A 67 20.471 -0.599 -9.123 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.518 0.391 -8.035 1.00 0.97 H new ATOM 1094 N GLN A 68 16.407 2.911 -8.692 1.00 0.61 N ATOM 1095 CA GLN A 68 16.139 3.784 -7.562 1.00 0.65 C ATOM 1096 C GLN A 68 14.661 3.733 -7.201 1.00 0.66 C ATOM 1097 O GLN A 68 13.792 4.045 -8.018 1.00 0.78 O ATOM 1098 CB GLN A 68 16.567 5.229 -7.845 1.00 0.85 C ATOM 1099 CG GLN A 68 15.845 5.872 -9.015 1.00 1.38 C ATOM 1100 CD GLN A 68 16.085 7.363 -9.101 1.00 1.63 C ATOM 1101 OE1 GLN A 68 17.141 7.864 -8.713 1.00 2.16 O ATOM 1102 NE2 GLN A 68 15.093 8.087 -9.590 1.00 2.07 N ATOM 0 H GLN A 68 15.669 2.894 -9.396 1.00 0.61 H new ATOM 0 HA GLN A 68 16.729 3.426 -6.718 1.00 0.65 H new ATOM 0 HB2 GLN A 68 16.395 5.829 -6.952 1.00 0.85 H new ATOM 0 HB3 GLN A 68 17.639 5.247 -8.039 1.00 0.85 H new ATOM 0 HG2 GLN A 68 16.173 5.401 -9.942 1.00 1.38 H new ATOM 0 HG3 GLN A 68 14.775 5.685 -8.924 1.00 1.38 H new ATOM 0 HE21 GLN A 68 14.234 7.632 -9.901 1.00 2.07 H new ATOM 0 HE22 GLN A 68 15.186 9.101 -9.657 1.00 2.07 H new ATOM 1111 N VAL A 69 14.374 3.299 -5.992 1.00 0.59 N ATOM 1112 CA VAL A 69 13.012 3.259 -5.514 1.00 0.64 C ATOM 1113 C VAL A 69 12.577 4.642 -5.027 1.00 0.64 C ATOM 1114 O VAL A 69 13.017 5.121 -3.985 1.00 0.68 O ATOM 1115 CB VAL A 69 12.844 2.198 -4.394 1.00 0.72 C ATOM 1116 CG1 VAL A 69 13.828 2.424 -3.250 1.00 1.81 C ATOM 1117 CG2 VAL A 69 11.416 2.178 -3.876 1.00 1.22 C ATOM 0 H VAL A 69 15.069 2.969 -5.322 1.00 0.59 H new ATOM 0 HA VAL A 69 12.368 2.968 -6.344 1.00 0.64 H new ATOM 0 HB VAL A 69 13.066 1.225 -4.833 1.00 0.72 H new ATOM 0 HG11 VAL A 69 13.679 1.661 -2.486 1.00 1.81 H new ATOM 0 HG12 VAL A 69 14.848 2.363 -3.630 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.661 3.410 -2.816 1.00 1.81 H new ATOM 0 HG21 VAL A 69 11.324 1.426 -3.092 1.00 1.22 H new ATOM 0 HG22 VAL A 69 11.162 3.158 -3.471 1.00 1.22 H new ATOM 0 HG23 VAL A 69 10.736 1.936 -4.693 1.00 1.22 H new ATOM 1127 N ASP A 70 11.732 5.297 -5.808 1.00 0.67 N ATOM 1128 CA ASP A 70 11.128 6.550 -5.378 1.00 0.73 C ATOM 1129 C ASP A 70 10.006 6.257 -4.404 1.00 0.64 C ATOM 1130 O ASP A 70 9.668 5.094 -4.194 1.00 0.56 O ATOM 1131 CB ASP A 70 10.583 7.356 -6.563 1.00 0.84 C ATOM 1132 CG ASP A 70 11.655 8.129 -7.305 1.00 1.38 C ATOM 1133 OD1 ASP A 70 12.008 9.238 -6.852 1.00 2.02 O ATOM 1134 OD2 ASP A 70 12.131 7.647 -8.353 1.00 1.99 O ATOM 0 H ASP A 70 11.450 4.985 -6.737 1.00 0.67 H new ATOM 0 HA ASP A 70 11.901 7.149 -4.896 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.087 6.678 -7.258 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.826 8.053 -6.202 1.00 0.84 H new ATOM 1139 N PHE A 71 9.411 7.280 -3.820 1.00 0.70 N ATOM 1140 CA PHE A 71 8.290 7.062 -2.914 1.00 0.66 C ATOM 1141 C PHE A 71 7.125 6.422 -3.668 1.00 0.55 C ATOM 1142 O PHE A 71 6.375 5.624 -3.113 1.00 0.48 O ATOM 1143 CB PHE A 71 7.861 8.370 -2.251 1.00 0.82 C ATOM 1144 CG PHE A 71 8.882 8.922 -1.292 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.939 9.695 -1.747 1.00 1.92 C ATOM 1146 CD2 PHE A 71 8.778 8.675 0.069 1.00 1.50 C ATOM 1147 CE1 PHE A 71 10.872 10.208 -0.866 1.00 2.17 C ATOM 1148 CE2 PHE A 71 9.710 9.186 0.954 1.00 1.76 C ATOM 1149 CZ PHE A 71 10.758 9.954 0.485 1.00 1.76 C ATOM 0 H PHE A 71 9.676 8.256 -3.951 1.00 0.70 H new ATOM 0 HA PHE A 71 8.608 6.381 -2.124 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.663 9.112 -3.025 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.924 8.207 -1.718 1.00 0.82 H new ATOM 0 HD1 PHE A 71 10.035 9.899 -2.803 1.00 1.92 H new ATOM 0 HD2 PHE A 71 7.960 8.077 0.442 1.00 1.50 H new ATOM 0 HE1 PHE A 71 11.691 10.808 -1.235 1.00 2.17 H new ATOM 0 HE2 PHE A 71 9.618 8.985 2.011 1.00 1.76 H new ATOM 0 HZ PHE A 71 11.486 10.355 1.174 1.00 1.76 H new ATOM 1159 N GLN A 72 7.003 6.764 -4.945 1.00 0.59 N ATOM 1160 CA GLN A 72 6.001 6.167 -5.820 1.00 0.56 C ATOM 1161 C GLN A 72 6.337 4.705 -6.116 1.00 0.49 C ATOM 1162 O GLN A 72 5.457 3.846 -6.132 1.00 0.47 O ATOM 1163 CB GLN A 72 5.908 6.962 -7.122 1.00 0.69 C ATOM 1164 CG GLN A 72 4.934 6.373 -8.124 1.00 0.74 C ATOM 1165 CD GLN A 72 4.893 7.148 -9.424 1.00 1.08 C ATOM 1166 OE1 GLN A 72 5.656 6.876 -10.347 1.00 1.66 O ATOM 1167 NE2 GLN A 72 3.993 8.112 -9.511 1.00 1.66 N ATOM 0 H GLN A 72 7.593 7.460 -5.402 1.00 0.59 H new ATOM 0 HA GLN A 72 5.037 6.197 -5.312 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.607 7.984 -6.893 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.897 7.015 -7.577 1.00 0.69 H new ATOM 0 HG2 GLN A 72 5.212 5.340 -8.331 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.936 6.353 -7.686 1.00 0.74 H new ATOM 0 HE21 GLN A 72 3.377 8.307 -8.722 1.00 1.66 H new ATOM 0 HE22 GLN A 72 3.914 8.661 -10.367 1.00 1.66 H new ATOM 1176 N GLU A 73 7.612 4.424 -6.342 1.00 0.49 N ATOM 1177 CA GLU A 73 8.058 3.056 -6.584 1.00 0.46 C ATOM 1178 C GLU A 73 7.920 2.244 -5.298 1.00 0.36 C ATOM 1179 O GLU A 73 7.608 1.056 -5.318 1.00 0.32 O ATOM 1180 CB GLU A 73 9.508 3.040 -7.077 1.00 0.56 C ATOM 1181 CG GLU A 73 9.796 4.039 -8.193 1.00 0.78 C ATOM 1182 CD GLU A 73 9.014 3.778 -9.465 1.00 1.15 C ATOM 1183 OE1 GLU A 73 7.787 4.013 -9.473 1.00 1.99 O ATOM 1184 OE2 GLU A 73 9.630 3.382 -10.472 1.00 1.82 O ATOM 0 H GLU A 73 8.356 5.122 -6.363 1.00 0.49 H new ATOM 0 HA GLU A 73 7.436 2.609 -7.359 1.00 0.46 H new ATOM 0 HB2 GLU A 73 10.169 3.250 -6.236 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.750 2.037 -7.430 1.00 0.56 H new ATOM 0 HG2 GLU A 73 9.567 5.043 -7.837 1.00 0.78 H new ATOM 0 HG3 GLU A 73 10.862 4.017 -8.422 1.00 0.78 H new ATOM 1191 N PHE A 74 8.136 2.910 -4.178 1.00 0.37 N ATOM 1192 CA PHE A 74 7.931 2.308 -2.873 1.00 0.34 C ATOM 1193 C PHE A 74 6.442 2.093 -2.628 1.00 0.32 C ATOM 1194 O PHE A 74 6.042 1.218 -1.864 1.00 0.33 O ATOM 1195 CB PHE A 74 8.540 3.202 -1.789 1.00 0.43 C ATOM 1196 CG PHE A 74 8.291 2.730 -0.386 1.00 0.78 C ATOM 1197 CD1 PHE A 74 8.892 1.576 0.088 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.460 3.445 0.459 1.00 1.44 C ATOM 1199 CE1 PHE A 74 8.668 1.144 1.382 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.231 3.018 1.751 1.00 1.92 C ATOM 1201 CZ PHE A 74 7.836 1.866 2.213 1.00 1.89 C ATOM 0 H PHE A 74 8.457 3.878 -4.147 1.00 0.37 H new ATOM 0 HA PHE A 74 8.427 1.338 -2.839 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.616 3.269 -1.952 1.00 0.43 H new ATOM 0 HB3 PHE A 74 8.138 4.209 -1.897 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.543 1.007 -0.560 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.985 4.347 0.103 1.00 1.44 H new ATOM 0 HE1 PHE A 74 9.143 0.243 1.742 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.579 3.584 2.400 1.00 1.92 H new ATOM 0 HZ PHE A 74 7.658 1.530 3.224 1.00 1.89 H new ATOM 1211 N ILE A 75 5.629 2.877 -3.312 1.00 0.33 N ATOM 1212 CA ILE A 75 4.189 2.740 -3.237 1.00 0.35 C ATOM 1213 C ILE A 75 3.765 1.426 -3.878 1.00 0.34 C ATOM 1214 O ILE A 75 2.928 0.696 -3.340 1.00 0.36 O ATOM 1215 CB ILE A 75 3.497 3.951 -3.903 1.00 0.41 C ATOM 1216 CG1 ILE A 75 3.135 4.984 -2.850 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.274 3.542 -4.704 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.881 6.348 -3.429 1.00 0.67 C ATOM 0 H ILE A 75 5.947 3.622 -3.931 1.00 0.33 H new ATOM 0 HA ILE A 75 3.879 2.723 -2.192 1.00 0.35 H new ATOM 0 HB ILE A 75 4.202 4.392 -4.608 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.246 4.652 -2.313 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.942 5.049 -2.120 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.821 4.426 -5.153 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.569 2.846 -5.490 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.552 3.060 -4.045 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.627 7.042 -2.628 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.777 6.698 -3.942 1.00 0.67 H new ATOM 0 HD13 ILE A 75 2.055 6.294 -4.138 1.00 0.67 H new ATOM 1230 N SER A 76 4.375 1.106 -5.012 1.00 0.34 N ATOM 1231 CA SER A 76 4.145 -0.176 -5.640 1.00 0.36 C ATOM 1232 C SER A 76 4.760 -1.297 -4.803 1.00 0.31 C ATOM 1233 O SER A 76 4.262 -2.414 -4.799 1.00 0.33 O ATOM 1234 CB SER A 76 4.683 -0.180 -7.072 1.00 0.45 C ATOM 1235 OG SER A 76 5.871 0.585 -7.186 1.00 0.74 O ATOM 0 H SER A 76 5.026 1.715 -5.508 1.00 0.34 H new ATOM 0 HA SER A 76 3.071 -0.353 -5.694 1.00 0.36 H new ATOM 0 HB2 SER A 76 4.879 -1.206 -7.385 1.00 0.45 H new ATOM 0 HB3 SER A 76 3.926 0.220 -7.747 1.00 0.45 H new ATOM 0 HG SER A 76 6.391 0.506 -6.359 1.00 0.74 H new ATOM 1241 N LEU A 77 5.823 -0.984 -4.065 1.00 0.28 N ATOM 1242 CA LEU A 77 6.434 -1.950 -3.149 1.00 0.26 C ATOM 1243 C LEU A 77 5.406 -2.410 -2.128 1.00 0.23 C ATOM 1244 O LEU A 77 5.265 -3.605 -1.864 1.00 0.23 O ATOM 1245 CB LEU A 77 7.666 -1.325 -2.459 1.00 0.30 C ATOM 1246 CG LEU A 77 8.367 -2.157 -1.364 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.656 -2.034 -0.022 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.471 -3.614 -1.775 1.00 1.15 C ATOM 0 H LEU A 77 6.280 -0.072 -4.082 1.00 0.28 H new ATOM 0 HA LEU A 77 6.772 -2.820 -3.712 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.402 -1.094 -3.229 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.359 -0.377 -2.017 1.00 0.30 H new ATOM 0 HG LEU A 77 9.373 -1.755 -1.247 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.179 -2.634 0.723 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.649 -0.990 0.292 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.630 -2.390 -0.120 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.969 -4.180 -0.987 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.472 -4.019 -1.937 1.00 1.15 H new ATOM 0 HD23 LEU A 77 9.047 -3.692 -2.697 1.00 1.15 H new ATOM 1260 N VAL A 78 4.675 -1.459 -1.576 1.00 0.24 N ATOM 1261 CA VAL A 78 3.660 -1.769 -0.588 1.00 0.25 C ATOM 1262 C VAL A 78 2.539 -2.566 -1.226 1.00 0.27 C ATOM 1263 O VAL A 78 1.938 -3.404 -0.588 1.00 0.28 O ATOM 1264 CB VAL A 78 3.083 -0.497 0.048 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.114 -0.851 1.161 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.205 0.391 0.563 1.00 0.31 C ATOM 0 H VAL A 78 4.766 -0.467 -1.795 1.00 0.24 H new ATOM 0 HA VAL A 78 4.134 -2.359 0.197 1.00 0.25 H new ATOM 0 HB VAL A 78 2.533 0.056 -0.713 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.715 0.063 1.600 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.296 -1.446 0.755 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.635 -1.425 1.928 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.781 1.290 1.011 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.783 -0.150 1.312 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.856 0.671 -0.265 1.00 0.31 H new ATOM 1276 N ALA A 79 2.280 -2.308 -2.496 1.00 0.31 N ATOM 1277 CA ALA A 79 1.295 -3.069 -3.246 1.00 0.35 C ATOM 1278 C ALA A 79 1.718 -4.533 -3.323 1.00 0.33 C ATOM 1279 O ALA A 79 0.911 -5.446 -3.131 1.00 0.33 O ATOM 1280 CB ALA A 79 1.143 -2.477 -4.638 1.00 0.43 C ATOM 0 H ALA A 79 2.741 -1.573 -3.032 1.00 0.31 H new ATOM 0 HA ALA A 79 0.332 -3.017 -2.739 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.404 -3.050 -5.198 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.815 -1.441 -4.559 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.101 -2.516 -5.157 1.00 0.43 H new ATOM 1286 N ILE A 80 3.002 -4.735 -3.589 1.00 0.32 N ATOM 1287 CA ILE A 80 3.603 -6.061 -3.590 1.00 0.32 C ATOM 1288 C ILE A 80 3.475 -6.700 -2.209 1.00 0.28 C ATOM 1289 O ILE A 80 3.082 -7.859 -2.075 1.00 0.31 O ATOM 1290 CB ILE A 80 5.107 -5.988 -3.994 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.284 -5.982 -5.519 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.904 -7.137 -3.392 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.508 -4.903 -6.239 1.00 0.40 C ATOM 0 H ILE A 80 3.656 -3.984 -3.810 1.00 0.32 H new ATOM 0 HA ILE A 80 3.073 -6.671 -4.321 1.00 0.32 H new ATOM 0 HB ILE A 80 5.491 -5.049 -3.595 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.343 -5.864 -5.748 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.980 -6.953 -5.911 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.948 -7.054 -3.695 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.837 -7.096 -2.305 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.498 -8.085 -3.745 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.693 -4.975 -7.311 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.443 -5.030 -6.046 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.827 -3.924 -5.881 1.00 0.40 H new ATOM 1305 N ALA A 81 3.782 -5.919 -1.190 1.00 0.23 N ATOM 1306 CA ALA A 81 3.834 -6.418 0.171 1.00 0.23 C ATOM 1307 C ALA A 81 2.440 -6.584 0.783 1.00 0.23 C ATOM 1308 O ALA A 81 2.252 -7.358 1.720 1.00 0.28 O ATOM 1309 CB ALA A 81 4.705 -5.503 1.005 1.00 0.24 C ATOM 0 H ALA A 81 4.001 -4.927 -1.281 1.00 0.23 H new ATOM 0 HA ALA A 81 4.274 -7.415 0.156 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.747 -5.874 2.029 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.711 -5.478 0.587 1.00 0.24 H new ATOM 0 HB3 ALA A 81 4.285 -4.497 1.001 1.00 0.24 H new ATOM 1315 N LEU A 82 1.469 -5.859 0.251 1.00 0.22 N ATOM 1316 CA LEU A 82 0.078 -6.028 0.646 1.00 0.23 C ATOM 1317 C LEU A 82 -0.418 -7.377 0.187 1.00 0.24 C ATOM 1318 O LEU A 82 -1.149 -8.067 0.899 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.794 -4.934 0.049 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.656 -3.566 0.703 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.446 -2.547 -0.080 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -1.122 -3.608 2.150 1.00 0.31 C ATOM 0 H LEU A 82 1.619 -5.143 -0.460 1.00 0.22 H new ATOM 0 HA LEU A 82 0.018 -5.962 1.732 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.555 -4.838 -1.010 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.836 -5.246 0.114 1.00 0.25 H new ATOM 0 HG LEU A 82 0.396 -3.280 0.700 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.345 -1.569 0.390 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.067 -2.499 -1.101 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.497 -2.835 -0.096 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -1.014 -2.619 2.596 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -2.169 -3.910 2.187 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.518 -4.325 2.706 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.013 -7.761 -1.013 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.332 -9.085 -1.498 1.00 0.33 C ATOM 1336 C LYS A 83 0.544 -10.122 -0.827 1.00 0.31 C ATOM 1337 O LYS A 83 0.228 -11.298 -0.819 1.00 0.44 O ATOM 1338 CB LYS A 83 -0.212 -9.194 -3.006 1.00 0.42 C ATOM 1339 CG LYS A 83 -1.543 -9.506 -3.645 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.385 -10.033 -5.046 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.657 -10.725 -5.491 1.00 0.80 C ATOM 1342 NZ LYS A 83 -2.553 -11.233 -6.885 1.00 1.67 N ATOM 0 H LYS A 83 0.528 -7.183 -1.656 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.375 -9.274 -1.242 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.176 -8.259 -3.410 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.506 -9.974 -3.260 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -2.073 -10.241 -3.039 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -2.157 -8.605 -3.663 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -1.151 -9.214 -5.726 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -0.549 -10.731 -5.088 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.874 -11.554 -4.818 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.493 -10.029 -5.419 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -3.443 -11.700 -7.152 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -2.371 -10.439 -7.531 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -1.772 -11.916 -6.948 1.00 1.67 H new ATOM 1356 N ALA A 84 1.654 -9.690 -0.277 1.00 0.31 N ATOM 1357 CA ALA A 84 2.442 -10.553 0.572 1.00 0.35 C ATOM 1358 C ALA A 84 1.692 -10.826 1.873 1.00 0.33 C ATOM 1359 O ALA A 84 1.926 -11.830 2.536 1.00 0.40 O ATOM 1360 CB ALA A 84 3.788 -9.926 0.848 1.00 0.48 C ATOM 0 H ALA A 84 2.031 -8.750 -0.401 1.00 0.31 H new ATOM 0 HA ALA A 84 2.608 -11.502 0.063 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.372 -10.586 1.489 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.317 -9.771 -0.092 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.647 -8.967 1.347 1.00 0.48 H new ATOM 1366 N ALA A 85 0.802 -9.912 2.236 1.00 0.30 N ATOM 1367 CA ALA A 85 -0.053 -10.085 3.399 1.00 0.38 C ATOM 1368 C ALA A 85 -1.299 -10.910 3.059 1.00 0.44 C ATOM 1369 O ALA A 85 -1.573 -11.923 3.703 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.444 -8.730 3.962 1.00 0.43 C ATOM 0 H ALA A 85 0.654 -9.036 1.735 1.00 0.30 H new ATOM 0 HA ALA A 85 0.507 -10.635 4.155 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -1.084 -8.869 4.833 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.453 -8.185 4.255 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.982 -8.162 3.203 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.054 -10.471 2.051 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.290 -11.159 1.660 1.00 0.59 C ATOM 1378 C HIS A 86 -2.990 -12.444 0.885 1.00 0.63 C ATOM 1379 O HIS A 86 -3.424 -13.528 1.261 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.189 -10.247 0.815 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.440 -10.932 0.341 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -5.667 -11.274 -0.978 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.520 -11.370 1.028 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -6.828 -11.895 -1.075 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.366 -11.968 0.127 1.00 2.68 N ATOM 0 H HIS A 86 -1.835 -9.647 1.492 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.816 -11.419 2.579 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.462 -9.370 1.402 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -3.627 -9.891 -0.048 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.686 -11.268 2.090 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -7.264 -12.279 -1.986 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.263 -12.398 0.351 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.242 -12.302 -0.194 1.00 0.58 N ATOM 1395 CA TYR A 87 -1.874 -13.420 -1.064 1.00 0.65 C ATOM 1396 C TYR A 87 -0.655 -14.143 -0.496 1.00 0.62 C ATOM 1397 O TYR A 87 0.115 -14.746 -1.243 1.00 0.66 O ATOM 1398 CB TYR A 87 -1.595 -12.950 -2.494 1.00 0.69 C ATOM 1399 CG TYR A 87 -1.980 -13.949 -3.564 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.286 -14.028 -4.027 1.00 1.62 C ATOM 1401 CD2 TYR A 87 -1.035 -14.801 -4.122 1.00 1.44 C ATOM 1402 CE1 TYR A 87 -3.641 -14.927 -5.015 1.00 1.80 C ATOM 1403 CE2 TYR A 87 -1.382 -15.704 -5.108 1.00 1.55 C ATOM 1404 CZ TYR A 87 -2.685 -15.762 -5.553 1.00 1.29 C ATOM 1405 OH TYR A 87 -3.033 -16.658 -6.541 1.00 1.52 O ATOM 0 H TYR A 87 -1.867 -11.404 -0.499 1.00 0.58 H new ATOM 0 HA TYR A 87 -2.717 -14.110 -1.101 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.135 -12.020 -2.670 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -0.533 -12.724 -2.589 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.038 -13.376 -3.608 1.00 1.62 H new ATOM 0 HD2 TYR A 87 -0.012 -14.757 -3.779 1.00 1.44 H new ATOM 0 HE1 TYR A 87 -4.662 -14.975 -5.364 1.00 1.80 H new ATOM 0 HE2 TYR A 87 -0.636 -16.362 -5.528 1.00 1.55 H new ATOM 0 HH TYR A 87 -2.242 -17.170 -6.812 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.448 -13.975 0.819 1.00 0.59 N ATOM 1416 CA HIS A 88 0.690 -14.537 1.577 1.00 0.62 C ATOM 1417 C HIS A 88 0.973 -16.016 1.266 1.00 0.69 C ATOM 1418 O HIS A 88 1.943 -16.585 1.765 1.00 0.75 O ATOM 1419 CB HIS A 88 0.409 -14.382 3.081 1.00 0.65 C ATOM 1420 CG HIS A 88 1.563 -14.738 3.979 1.00 1.54 C ATOM 1421 ND1 HIS A 88 2.656 -13.921 4.156 1.00 2.37 N ATOM 1422 CD2 HIS A 88 1.779 -15.823 4.761 1.00 2.40 C ATOM 1423 CE1 HIS A 88 3.493 -14.485 5.006 1.00 3.25 C ATOM 1424 NE2 HIS A 88 2.985 -15.639 5.389 1.00 3.26 N ATOM 0 H HIS A 88 -1.082 -13.431 1.404 1.00 0.59 H new ATOM 0 HA HIS A 88 1.577 -13.982 1.273 1.00 0.62 H new ATOM 0 HB2 HIS A 88 0.119 -13.350 3.278 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.444 -15.008 3.343 1.00 0.65 H new ATOM 0 HD1 HIS A 88 2.797 -13.019 3.701 1.00 2.37 H new ATOM 0 HD2 HIS A 88 1.124 -16.675 4.870 1.00 2.40 H new ATOM 0 HE1 HIS A 88 4.435 -14.071 5.333 1.00 3.25 H new ATOM 1433 N THR A 89 0.157 -16.624 0.426 1.00 0.73 N ATOM 1434 CA THR A 89 0.371 -17.998 0.035 1.00 0.81 C ATOM 1435 C THR A 89 1.612 -18.062 -0.851 1.00 0.72 C ATOM 1436 O THR A 89 2.341 -19.053 -0.840 1.00 1.05 O ATOM 1437 CB THR A 89 -0.864 -18.570 -0.705 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.632 -19.931 -1.090 1.00 1.26 O ATOM 1439 CG2 THR A 89 -1.208 -17.737 -1.934 1.00 0.89 C ATOM 0 H THR A 89 -0.660 -16.185 0.003 1.00 0.73 H new ATOM 0 HA THR A 89 0.520 -18.609 0.925 1.00 0.81 H new ATOM 0 HB THR A 89 -1.709 -18.531 -0.017 1.00 0.97 H new ATOM 0 HG1 THR A 89 -1.422 -20.279 -1.555 1.00 1.26 H new ATOM 0 HG21 THR A 89 -2.079 -18.164 -2.431 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.429 -16.714 -1.630 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.362 -17.736 -2.621 1.00 0.89 H new ATOM 1447 N HIS A 90 1.837 -16.952 -1.572 1.00 0.65 N ATOM 1448 CA HIS A 90 2.977 -16.738 -2.464 1.00 0.64 C ATOM 1449 C HIS A 90 2.593 -15.693 -3.490 1.00 0.93 C ATOM 1450 O HIS A 90 2.206 -16.039 -4.606 1.00 1.77 O ATOM 1451 CB HIS A 90 3.393 -17.996 -3.230 1.00 0.91 C ATOM 1452 CG HIS A 90 4.711 -18.574 -2.808 1.00 1.72 C ATOM 1453 ND1 HIS A 90 5.014 -19.532 -1.899 1.00 2.44 N flip ATOM 1454 CD2 HIS A 90 5.914 -18.184 -3.358 1.00 2.68 C flip ATOM 1455 CE1 HIS A 90 6.373 -19.701 -1.921 1.00 3.33 C flip ATOM 1456 NE2 HIS A 90 6.892 -18.877 -2.808 1.00 3.47 N flip ATOM 0 H HIS A 90 1.204 -16.153 -1.545 1.00 0.65 H new ATOM 0 HA HIS A 90 3.815 -16.432 -1.838 1.00 0.64 H new ATOM 0 HB2 HIS A 90 2.621 -18.755 -3.104 1.00 0.91 H new ATOM 0 HB3 HIS A 90 3.438 -17.760 -4.293 1.00 0.91 H new ATOM 0 HD1 HIS A 90 4.352 -20.035 -1.308 1.00 2.44 H new ATOM 0 HD2 HIS A 90 6.036 -17.429 -4.120 1.00 2.68 H new ATOM 0 HE1 HIS A 90 6.929 -20.397 -1.310 1.00 3.33 H new ATOM 1578 N GLU B 5 4.949 -6.651 10.467 1.00 1.20 N ATOM 1579 CA GLU B 5 4.244 -6.370 9.220 1.00 0.94 C ATOM 1580 C GLU B 5 2.782 -6.006 9.482 1.00 0.69 C ATOM 1581 O GLU B 5 1.900 -6.262 8.659 1.00 0.69 O ATOM 1582 CB GLU B 5 4.339 -7.550 8.243 1.00 1.39 C ATOM 1583 CG GLU B 5 4.453 -8.923 8.897 1.00 1.80 C ATOM 1584 CD GLU B 5 5.864 -9.233 9.365 1.00 2.48 C ATOM 1585 OE1 GLU B 5 6.730 -9.525 8.515 1.00 3.10 O ATOM 1586 OE2 GLU B 5 6.116 -9.182 10.589 1.00 3.00 O ATOM 0 HA GLU B 5 4.732 -5.512 8.758 1.00 0.94 H new ATOM 0 HB2 GLU B 5 3.458 -7.542 7.601 1.00 1.39 H new ATOM 0 HB3 GLU B 5 5.205 -7.399 7.598 1.00 1.39 H new ATOM 0 HG2 GLU B 5 3.773 -8.974 9.747 1.00 1.80 H new ATOM 0 HG3 GLU B 5 4.134 -9.687 8.188 1.00 1.80 H new ATOM 1593 N GLU B 6 2.551 -5.369 10.626 1.00 0.68 N ATOM 1594 CA GLU B 6 1.239 -4.876 11.010 1.00 0.67 C ATOM 1595 C GLU B 6 0.808 -3.766 10.056 1.00 0.54 C ATOM 1596 O GLU B 6 -0.364 -3.418 9.968 1.00 0.60 O ATOM 1597 CB GLU B 6 1.284 -4.354 12.452 1.00 0.78 C ATOM 1598 CG GLU B 6 -0.087 -4.076 13.050 1.00 1.06 C ATOM 1599 CD GLU B 6 -0.958 -5.314 13.109 1.00 1.78 C ATOM 1600 OE1 GLU B 6 -0.914 -6.034 14.128 1.00 2.48 O ATOM 1601 OE2 GLU B 6 -1.688 -5.584 12.135 1.00 2.51 O ATOM 0 H GLU B 6 3.278 -5.180 11.316 1.00 0.68 H new ATOM 0 HA GLU B 6 0.514 -5.688 10.954 1.00 0.67 H new ATOM 0 HB2 GLU B 6 1.801 -5.083 13.076 1.00 0.78 H new ATOM 0 HB3 GLU B 6 1.874 -3.438 12.478 1.00 0.78 H new ATOM 0 HG2 GLU B 6 0.034 -3.673 14.056 1.00 1.06 H new ATOM 0 HG3 GLU B 6 -0.589 -3.311 12.458 1.00 1.06 H new ATOM 1608 N HIS B 7 1.780 -3.205 9.346 1.00 0.42 N ATOM 1609 CA HIS B 7 1.501 -2.197 8.336 1.00 0.38 C ATOM 1610 C HIS B 7 0.650 -2.822 7.241 1.00 0.35 C ATOM 1611 O HIS B 7 -0.464 -2.387 6.971 1.00 0.39 O ATOM 1612 CB HIS B 7 2.794 -1.660 7.698 1.00 0.43 C ATOM 1613 CG HIS B 7 3.886 -1.279 8.655 1.00 0.95 C ATOM 1614 ND1 HIS B 7 3.937 -0.070 9.315 1.00 1.73 N ATOM 1615 CD2 HIS B 7 5.003 -1.950 9.024 1.00 1.60 C ATOM 1616 CE1 HIS B 7 5.039 -0.018 10.044 1.00 2.16 C ATOM 1617 NE2 HIS B 7 5.701 -1.145 9.882 1.00 2.03 N ATOM 0 H HIS B 7 2.768 -3.433 9.453 1.00 0.42 H new ATOM 0 HA HIS B 7 0.982 -1.369 8.819 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.182 -2.417 7.016 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.544 -0.787 7.095 1.00 0.43 H new ATOM 0 HD2 HIS B 7 5.290 -2.939 8.700 1.00 1.60 H new ATOM 0 HE1 HIS B 7 5.345 0.809 10.667 1.00 2.16 H new ATOM 0 HE2 HIS B 7 6.590 -1.379 10.324 1.00 2.03 H new ATOM 1626 N LEU B 8 1.192 -3.879 6.650 1.00 0.34 N ATOM 1627 CA LEU B 8 0.581 -4.553 5.515 1.00 0.33 C ATOM 1628 C LEU B 8 -0.618 -5.384 5.948 1.00 0.34 C ATOM 1629 O LEU B 8 -1.729 -5.185 5.456 1.00 0.34 O ATOM 1630 CB LEU B 8 1.628 -5.438 4.861 1.00 0.33 C ATOM 1631 CG LEU B 8 2.927 -4.711 4.534 1.00 0.33 C ATOM 1632 CD1 LEU B 8 3.996 -5.691 4.119 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.701 -3.673 3.445 1.00 0.33 C ATOM 0 H LEU B 8 2.074 -4.295 6.948 1.00 0.34 H new ATOM 0 HA LEU B 8 0.221 -3.808 4.805 1.00 0.33 H new ATOM 0 HB2 LEU B 8 1.848 -6.276 5.523 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.215 -5.857 3.943 1.00 0.33 H new ATOM 0 HG LEU B 8 3.265 -4.196 5.433 1.00 0.33 H new ATOM 0 HD11 LEU B 8 4.915 -5.152 3.890 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.181 -6.394 4.932 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.666 -6.237 3.235 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.640 -3.165 3.226 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.336 -4.165 2.544 1.00 0.33 H new ATOM 0 HD23 LEU B 8 1.965 -2.944 3.784 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.398 -6.298 6.891 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.466 -7.173 7.359 1.00 0.40 C ATOM 1647 C GLU B 9 -2.538 -6.371 8.082 1.00 0.40 C ATOM 1648 O GLU B 9 -3.679 -6.805 8.195 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.926 -8.277 8.271 1.00 0.48 C ATOM 1650 CG GLU B 9 0.012 -9.244 7.567 1.00 1.24 C ATOM 1651 CD GLU B 9 0.089 -10.584 8.266 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -0.748 -11.460 7.960 1.00 2.41 O ATOM 1653 OE2 GLU B 9 0.973 -10.770 9.128 1.00 2.16 O ATOM 0 H GLU B 9 0.504 -6.450 7.342 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.910 -7.647 6.484 1.00 0.40 H new ATOM 0 HB2 GLU B 9 -0.400 -7.819 9.109 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -1.765 -8.835 8.687 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -0.325 -9.391 6.541 1.00 1.24 H new ATOM 0 HG3 GLU B 9 1.009 -8.806 7.515 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.162 -5.199 8.566 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.114 -4.318 9.209 1.00 0.43 C ATOM 1662 C GLY B 10 -4.060 -3.691 8.211 1.00 0.39 C ATOM 1663 O GLY B 10 -5.255 -3.575 8.469 1.00 0.44 O ATOM 0 H GLY B 10 -1.208 -4.840 8.525 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.685 -4.878 9.949 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.579 -3.534 9.745 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.525 -3.292 7.062 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.346 -2.729 5.998 1.00 0.33 C ATOM 1669 C ILE B 11 -5.235 -3.814 5.395 1.00 0.33 C ATOM 1670 O ILE B 11 -6.398 -3.583 5.068 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.478 -2.087 4.897 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.623 -0.967 5.492 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.352 -1.540 3.782 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.664 -0.337 4.507 1.00 1.16 C ATOM 0 H ILE B 11 -2.530 -3.348 6.845 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.970 -1.948 6.432 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.823 -2.852 4.480 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.280 -0.194 5.889 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.055 -1.365 6.333 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.723 -1.091 3.014 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.935 -2.351 3.345 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.027 -0.785 4.186 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.094 0.448 5.005 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -0.980 -1.097 4.128 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.225 0.093 3.677 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.681 -5.006 5.274 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.433 -6.156 4.795 1.00 0.38 C ATOM 1688 C VAL B 12 -6.521 -6.544 5.800 1.00 0.40 C ATOM 1689 O VAL B 12 -7.629 -6.937 5.424 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.486 -7.339 4.535 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.252 -8.600 4.176 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.521 -6.966 3.427 1.00 0.48 C ATOM 0 H VAL B 12 -3.707 -5.206 5.502 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.918 -5.889 3.856 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.932 -7.551 5.449 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.550 -9.415 3.999 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.918 -8.867 4.996 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.839 -8.425 3.274 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.846 -7.800 3.237 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -4.080 -6.737 2.520 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.943 -6.092 3.727 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.208 -6.396 7.082 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.143 -6.740 8.148 1.00 0.49 C ATOM 1704 C ASN B 13 -8.290 -5.740 8.221 1.00 0.48 C ATOM 1705 O ASN B 13 -9.441 -6.125 8.411 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.427 -6.808 9.498 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.335 -7.294 10.613 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.254 -8.080 10.387 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.078 -6.831 11.825 1.00 1.42 N ATOM 0 H ASN B 13 -5.311 -6.039 7.410 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.555 -7.722 7.916 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.568 -7.474 9.417 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -6.042 -5.820 9.752 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -7.652 -7.125 12.615 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -6.306 -6.180 11.969 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.991 -4.453 8.061 1.00 0.48 N ATOM 1717 CA ILE B 14 -9.043 -3.444 8.106 1.00 0.57 C ATOM 1718 C ILE B 14 -9.981 -3.597 6.915 1.00 0.53 C ATOM 1719 O ILE B 14 -11.166 -3.288 7.011 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.506 -1.995 8.169 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.640 -1.677 6.951 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -7.731 -1.777 9.461 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -7.115 -0.257 6.918 1.00 2.06 C ATOM 0 H ILE B 14 -7.051 -4.091 7.903 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.588 -3.618 9.034 1.00 0.57 H new ATOM 0 HB ILE B 14 -9.356 -1.312 8.156 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -6.795 -2.366 6.930 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -8.222 -1.859 6.048 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -7.358 -0.753 9.493 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -8.388 -1.951 10.313 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -6.891 -2.470 9.503 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -6.510 -0.113 6.023 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -7.953 0.440 6.906 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -6.504 -0.074 7.802 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.466 -4.106 5.798 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.325 -4.397 4.661 1.00 0.59 C ATOM 1737 C PHE B 15 -11.259 -5.550 5.020 1.00 0.61 C ATOM 1738 O PHE B 15 -12.423 -5.570 4.626 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.499 -4.735 3.421 1.00 0.69 C ATOM 1740 CG PHE B 15 -10.304 -4.736 2.151 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -10.965 -3.591 1.738 1.00 1.93 C ATOM 1742 CD2 PHE B 15 -10.393 -5.874 1.370 1.00 1.75 C ATOM 1743 CE1 PHE B 15 -11.702 -3.583 0.569 1.00 2.54 C ATOM 1744 CE2 PHE B 15 -11.128 -5.873 0.200 1.00 2.35 C ATOM 1745 CZ PHE B 15 -11.784 -4.725 -0.200 1.00 2.58 C ATOM 0 H PHE B 15 -8.478 -4.321 5.660 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.917 -3.512 4.427 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.686 -4.015 3.327 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -9.042 -5.716 3.554 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -10.904 -2.694 2.336 1.00 1.93 H new ATOM 0 HD2 PHE B 15 -9.882 -6.774 1.678 1.00 1.75 H new ATOM 0 HE1 PHE B 15 -12.213 -2.684 0.258 1.00 2.54 H new ATOM 0 HE2 PHE B 15 -11.190 -6.768 -0.401 1.00 2.35 H new ATOM 0 HZ PHE B 15 -12.360 -4.722 -1.113 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.740 -6.487 5.808 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.540 -7.593 6.333 1.00 0.72 C ATOM 1757 C HIS B 16 -12.586 -7.082 7.320 1.00 0.75 C ATOM 1758 O HIS B 16 -13.570 -7.755 7.597 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.655 -8.631 7.033 1.00 0.77 C ATOM 1760 CG HIS B 16 -9.820 -9.456 6.108 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -8.474 -9.674 6.300 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -10.153 -10.152 4.998 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -8.020 -10.465 5.352 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -9.017 -10.777 4.545 1.00 2.23 N ATOM 0 H HIS B 16 -9.763 -6.503 6.099 1.00 0.60 H new ATOM 0 HA HIS B 16 -12.039 -8.064 5.486 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.998 -8.116 7.734 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -11.290 -9.295 7.620 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -11.134 -10.207 4.549 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -6.999 -10.803 5.251 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -8.954 -11.380 3.725 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.348 -5.902 7.871 1.00 0.70 N ATOM 1774 CA GLN B 17 -13.270 -5.308 8.827 1.00 0.82 C ATOM 1775 C GLN B 17 -14.445 -4.634 8.120 1.00 0.93 C ATOM 1776 O GLN B 17 -15.607 -4.917 8.417 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.542 -4.284 9.700 1.00 0.85 C ATOM 1778 CG GLN B 17 -13.428 -3.646 10.758 1.00 1.27 C ATOM 1779 CD GLN B 17 -12.772 -2.463 11.445 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -11.452 -2.484 11.544 1.00 2.60 O flip ATOM 1781 NE2 GLN B 17 -13.450 -1.535 11.887 1.00 2.77 N flip ATOM 0 H GLN B 17 -11.523 -5.336 7.672 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.659 -6.110 9.454 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.699 -4.771 10.190 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.132 -3.501 9.062 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -14.360 -3.320 10.296 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -13.688 -4.395 11.506 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -14.465 -1.555 11.792 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -12.996 -0.747 12.349 1.00 2.77 H new ATOM 1955 N LEU B 28 -16.979 -6.349 -2.420 1.00 1.15 N ATOM 1956 CA LEU B 28 -18.005 -5.820 -3.309 1.00 0.90 C ATOM 1957 C LEU B 28 -17.654 -4.431 -3.852 1.00 0.71 C ATOM 1958 O LEU B 28 -16.512 -4.164 -4.227 1.00 0.76 O ATOM 1959 CB LEU B 28 -19.355 -5.784 -2.585 1.00 1.66 C ATOM 1960 CG LEU B 28 -19.873 -7.135 -2.085 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -21.178 -6.954 -1.328 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -20.061 -8.104 -3.243 1.00 2.37 C ATOM 0 HA LEU B 28 -18.067 -6.489 -4.168 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -19.272 -5.109 -1.733 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -20.098 -5.357 -3.259 1.00 1.66 H new ATOM 0 HG LEU B 28 -19.131 -7.555 -1.406 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -21.534 -7.923 -0.979 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -21.015 -6.298 -0.473 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -21.923 -6.511 -1.988 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -20.430 -9.057 -2.864 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -20.781 -7.691 -3.949 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -19.107 -8.259 -3.747 1.00 2.37 H new ATOM 1974 N SER B 29 -18.649 -3.551 -3.888 1.00 0.61 N ATOM 1975 CA SER B 29 -18.552 -2.300 -4.624 1.00 0.48 C ATOM 1976 C SER B 29 -18.116 -1.116 -3.750 1.00 0.44 C ATOM 1977 O SER B 29 -17.719 -1.299 -2.599 1.00 0.53 O ATOM 1978 CB SER B 29 -19.893 -2.009 -5.295 1.00 0.55 C ATOM 1979 OG SER B 29 -20.263 -3.071 -6.161 1.00 1.35 O ATOM 0 H SER B 29 -19.540 -3.686 -3.410 1.00 0.61 H new ATOM 0 HA SER B 29 -17.772 -2.420 -5.375 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.662 -1.868 -4.536 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.828 -1.079 -5.860 1.00 0.55 H new ATOM 0 HG SER B 29 -19.655 -3.093 -6.930 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.182 0.089 -4.322 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.656 1.311 -3.702 1.00 0.36 C ATOM 1987 C LYS B 30 -18.060 1.481 -2.233 1.00 0.36 C ATOM 1988 O LYS B 30 -17.247 1.920 -1.431 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.123 2.528 -4.504 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.122 3.674 -4.517 1.00 0.41 C ATOM 1991 CD LYS B 30 -17.658 4.892 -5.257 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.194 4.543 -6.642 1.00 0.52 C ATOM 1993 NZ LYS B 30 -17.149 3.981 -7.536 1.00 1.32 N ATOM 0 H LYS B 30 -18.605 0.247 -5.236 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.569 1.225 -3.716 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.323 2.220 -5.530 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.065 2.885 -4.089 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -16.876 3.952 -3.492 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.197 3.342 -4.988 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.452 5.351 -4.668 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -16.864 5.633 -5.354 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -19.006 3.823 -6.542 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -18.616 5.438 -7.100 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -17.574 3.730 -8.452 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -16.401 4.688 -7.683 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -16.740 3.130 -7.100 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.294 1.108 -1.894 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.851 1.376 -0.565 1.00 0.40 C ATOM 2009 C GLY B 31 -18.909 1.091 0.592 1.00 0.38 C ATOM 2010 O GLY B 31 -18.617 1.972 1.401 1.00 0.39 O ATOM 0 H GLY B 31 -19.930 0.618 -2.523 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.155 2.422 -0.518 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.752 0.776 -0.437 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.446 -0.140 0.667 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.579 -0.583 1.757 1.00 0.50 C ATOM 2016 C GLU B 32 -16.231 0.121 1.751 1.00 0.42 C ATOM 2017 O GLU B 32 -15.676 0.419 2.811 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.389 -2.088 1.684 1.00 0.67 C ATOM 2019 CG GLU B 32 -17.094 -2.597 0.289 1.00 0.96 C ATOM 2020 CD GLU B 32 -17.664 -3.976 0.063 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -18.908 -4.102 0.034 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -16.884 -4.938 -0.064 1.00 2.43 O ATOM 0 H GLU B 32 -18.655 -0.865 -0.020 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.070 -0.319 2.694 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.572 -2.375 2.346 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -18.289 -2.577 2.057 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -17.510 -1.907 -0.445 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -16.016 -2.619 0.131 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.707 0.387 0.565 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.460 1.115 0.444 1.00 0.34 C ATOM 2031 C LEU B 33 -14.667 2.522 0.948 1.00 0.30 C ATOM 2032 O LEU B 33 -13.872 3.044 1.706 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.001 1.163 -1.003 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.552 1.595 -1.190 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.611 0.518 -0.677 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.270 1.920 -2.645 1.00 0.46 C ATOM 0 H LEU B 33 -16.126 0.110 -0.323 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.695 0.608 1.032 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.133 0.176 -1.446 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.646 1.848 -1.553 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.382 2.502 -0.609 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.579 0.840 -0.817 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.797 0.347 0.383 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.781 -0.406 -1.229 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.230 2.226 -2.754 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.455 1.037 -3.257 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -12.923 2.730 -2.970 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.768 3.102 0.520 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.172 4.432 0.919 1.00 0.31 C ATOM 2050 C LYS B 34 -16.303 4.520 2.436 1.00 0.35 C ATOM 2051 O LYS B 34 -15.842 5.481 3.053 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.490 4.753 0.204 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.192 6.029 0.659 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.127 5.774 1.830 1.00 0.85 C ATOM 2055 CE LYS B 34 -19.828 7.046 2.271 1.00 1.30 C ATOM 2056 NZ LYS B 34 -20.787 6.795 3.377 1.00 1.87 N ATOM 0 H LYS B 34 -16.418 2.654 -0.126 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.421 5.168 0.634 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.293 4.829 -0.865 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.172 3.914 0.344 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -17.447 6.771 0.944 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -18.758 6.449 -0.173 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.869 5.028 1.548 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -18.561 5.361 2.665 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -19.086 7.777 2.593 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -20.357 7.481 1.423 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -21.245 7.688 3.649 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -21.510 6.117 3.062 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -20.278 6.403 4.195 1.00 1.87 H new ATOM 2070 N GLN B 35 -16.932 3.510 3.026 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.028 3.400 4.468 1.00 0.43 C ATOM 2072 C GLN B 35 -15.638 3.441 5.090 1.00 0.43 C ATOM 2073 O GLN B 35 -15.337 4.330 5.883 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.733 2.101 4.841 1.00 0.50 C ATOM 2075 CG GLN B 35 -17.906 1.921 6.331 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.599 0.622 6.681 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -17.953 -0.407 6.874 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -19.918 0.659 6.762 1.00 2.06 N ATOM 0 H GLN B 35 -17.386 2.751 2.518 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.607 4.240 4.851 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.712 2.077 4.363 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.164 1.260 4.444 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -16.929 1.949 6.813 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.482 2.756 6.730 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -20.415 1.534 6.594 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -20.439 -0.187 6.992 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.796 2.490 4.694 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.419 2.416 5.165 1.00 0.39 C ATOM 2089 C LEU B 36 -12.743 3.774 5.027 1.00 0.38 C ATOM 2090 O LEU B 36 -12.362 4.387 6.002 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.669 1.345 4.356 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.237 1.022 4.803 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -10.862 -0.383 4.365 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.241 2.018 4.226 1.00 0.40 C ATOM 0 H LEU B 36 -15.050 1.751 4.039 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.404 2.140 6.219 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.251 0.424 4.388 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.636 1.666 3.315 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.201 1.090 5.890 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.844 -0.605 4.686 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.549 -1.100 4.815 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -10.924 -0.454 3.279 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.236 1.763 4.561 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.281 1.983 3.137 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.492 3.023 4.566 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.669 4.249 3.808 1.00 0.34 N ATOM 2107 CA LEU B 37 -11.944 5.462 3.465 1.00 0.35 C ATOM 2108 C LEU B 37 -12.348 6.668 4.308 1.00 0.41 C ATOM 2109 O LEU B 37 -11.489 7.373 4.837 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.173 5.753 1.992 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.603 4.694 1.050 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -11.956 5.001 -0.394 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.103 4.591 1.242 1.00 0.32 C ATOM 0 H LEU B 37 -13.116 3.801 3.008 1.00 0.34 H new ATOM 0 HA LEU B 37 -10.888 5.291 3.675 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.244 5.844 1.813 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.726 6.717 1.750 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.050 3.730 1.292 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.538 4.231 -1.042 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.040 5.021 -0.507 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.544 5.972 -0.671 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.701 3.834 0.568 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.641 5.554 1.023 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -9.887 4.310 2.273 1.00 0.32 H new ATOM 2125 N THR B 38 -13.645 6.893 4.447 1.00 0.45 N ATOM 2126 CA THR B 38 -14.138 8.083 5.114 1.00 0.53 C ATOM 2127 C THR B 38 -13.792 8.092 6.600 1.00 0.59 C ATOM 2128 O THR B 38 -13.488 9.140 7.162 1.00 0.67 O ATOM 2129 CB THR B 38 -15.663 8.227 4.943 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.311 6.986 5.250 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.017 8.645 3.527 1.00 1.03 C ATOM 0 H THR B 38 -14.374 6.266 4.106 1.00 0.45 H new ATOM 0 HA THR B 38 -13.641 8.930 4.640 1.00 0.53 H new ATOM 0 HB THR B 38 -16.007 9.000 5.630 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.294 6.404 4.462 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.099 8.739 3.435 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.549 9.604 3.303 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.657 7.893 2.825 1.00 1.03 H new ATOM 2139 N LYS B 39 -13.860 6.933 7.240 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.626 6.859 8.674 1.00 0.67 C ATOM 2141 C LYS B 39 -12.197 6.438 9.034 1.00 0.65 C ATOM 2142 O LYS B 39 -11.723 6.724 10.131 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.639 5.912 9.313 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.599 4.498 8.759 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.959 3.812 8.858 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.447 3.734 10.296 1.00 0.87 C ATOM 2147 NZ LYS B 39 -17.792 3.112 10.398 1.00 1.62 N ATOM 0 H LYS B 39 -14.073 6.041 6.794 1.00 0.58 H new ATOM 0 HA LYS B 39 -13.755 7.866 9.070 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.459 5.875 10.387 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.640 6.318 9.171 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.280 4.525 7.717 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.857 3.915 9.304 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.686 4.357 8.256 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.891 2.807 8.442 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -15.736 3.158 10.889 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.479 4.737 10.722 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -18.085 3.079 11.395 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -18.477 3.675 9.854 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -17.757 2.145 10.016 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.518 5.759 8.123 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.243 5.132 8.414 1.00 0.58 C ATOM 2163 C GLU B 40 -9.084 5.958 7.853 1.00 0.56 C ATOM 2164 O GLU B 40 -8.022 6.048 8.466 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.271 3.741 7.788 1.00 0.58 C ATOM 2166 CG GLU B 40 -9.051 2.901 8.038 1.00 0.88 C ATOM 2167 CD GLU B 40 -8.988 2.359 9.453 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -9.954 2.571 10.221 1.00 1.63 O ATOM 2169 OE2 GLU B 40 -7.984 1.702 9.795 1.00 1.67 O ATOM 0 H GLU B 40 -11.837 5.628 7.163 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.089 5.065 9.491 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -11.143 3.208 8.166 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -10.405 3.847 6.711 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -9.039 2.069 7.334 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -8.159 3.497 7.842 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.304 6.578 6.697 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.269 7.373 6.037 1.00 0.49 C ATOM 2178 C LEU B 41 -8.753 8.811 5.888 1.00 0.53 C ATOM 2179 O LEU B 41 -8.381 9.524 4.948 1.00 0.53 O ATOM 2180 CB LEU B 41 -7.933 6.780 4.662 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.631 5.275 4.654 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.218 4.821 3.263 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -6.555 4.925 5.673 1.00 1.42 C ATOM 0 H LEU B 41 -10.192 6.546 6.196 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.365 7.358 6.645 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -8.769 6.970 3.988 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.070 7.309 4.257 1.00 0.43 H new ATOM 0 HG LEU B 41 -8.543 4.748 4.935 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.008 3.752 3.277 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.026 5.023 2.560 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.324 5.362 2.954 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.362 3.853 5.645 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -5.639 5.465 5.435 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -6.893 5.207 6.670 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.587 9.211 6.843 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.262 10.508 6.836 1.00 0.64 C ATOM 2197 C ALA B 42 -9.313 11.688 6.648 1.00 0.71 C ATOM 2198 O ALA B 42 -9.667 12.675 5.998 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.044 10.686 8.124 1.00 0.71 C ATOM 0 H ALA B 42 -9.817 8.637 7.654 1.00 0.58 H new ATOM 0 HA ALA B 42 -10.931 10.504 5.976 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.545 11.654 8.114 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -11.787 9.893 8.211 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.362 10.639 8.973 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.119 11.602 7.209 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.186 12.718 7.151 1.00 0.83 C ATOM 2207 C ASN B 43 -5.912 12.314 6.420 1.00 0.83 C ATOM 2208 O ASN B 43 -4.813 12.764 6.749 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.861 13.226 8.561 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.129 14.564 8.560 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -6.445 15.426 7.605 1.00 1.56 O flip ATOM 2212 ND2 ASN B 43 -5.293 14.827 9.424 1.00 2.16 N flip ATOM 0 H ASN B 43 -7.774 10.781 7.705 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.658 13.529 6.596 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -7.787 13.325 9.127 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.250 12.485 9.076 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -5.072 14.141 10.146 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -4.821 15.731 9.418 1.00 2.16 H new ATOM 2219 N THR B 44 -6.054 11.453 5.429 1.00 0.65 N ATOM 2220 CA THR B 44 -4.924 11.081 4.605 1.00 0.61 C ATOM 2221 C THR B 44 -5.136 11.585 3.194 1.00 0.59 C ATOM 2222 O THR B 44 -4.382 12.413 2.682 1.00 0.66 O ATOM 2223 CB THR B 44 -4.737 9.559 4.547 1.00 0.55 C ATOM 2224 OG1 THR B 44 -5.315 8.947 5.704 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.259 9.212 4.466 1.00 0.52 C ATOM 0 H THR B 44 -6.934 11.003 5.178 1.00 0.65 H new ATOM 0 HA THR B 44 -4.035 11.528 5.051 1.00 0.61 H new ATOM 0 HB THR B 44 -5.238 9.182 3.656 1.00 0.55 H new ATOM 0 HG1 THR B 44 -5.468 7.995 5.529 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.141 8.129 4.425 1.00 0.52 H new ATOM 0 HG22 THR B 44 -2.829 9.658 3.569 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.745 9.600 5.346 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.190 11.082 2.590 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.507 11.378 1.212 1.00 0.51 C ATOM 2235 C ILE B 45 -7.311 12.671 1.134 1.00 0.59 C ATOM 2236 O ILE B 45 -8.190 12.899 1.968 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.317 10.217 0.608 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.646 8.867 0.912 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.481 10.412 -0.891 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.387 7.676 0.341 1.00 0.35 C ATOM 0 H ILE B 45 -6.853 10.454 3.043 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.583 11.501 0.647 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.306 10.211 1.066 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.632 8.878 0.513 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.563 8.748 1.992 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.056 9.584 -1.305 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.006 11.348 -1.081 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.499 10.444 -1.363 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.854 6.760 0.596 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.393 7.639 0.759 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.448 7.771 -0.743 1.00 0.35 H new ATOM 2252 N LYS B 46 -6.987 13.529 0.160 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.675 14.809 0.013 1.00 0.74 C ATOM 2254 C LYS B 46 -9.177 14.596 -0.102 1.00 0.68 C ATOM 2255 O LYS B 46 -9.635 13.810 -0.930 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.131 15.600 -1.199 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.766 15.272 -2.552 1.00 0.79 C ATOM 2258 CD LYS B 46 -9.034 16.089 -2.797 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.645 15.794 -4.157 1.00 0.88 C ATOM 2260 NZ LYS B 46 -8.880 16.415 -5.270 1.00 1.61 N ATOM 0 H LYS B 46 -6.257 13.359 -0.532 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.482 15.403 0.906 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.267 16.664 -1.004 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.058 15.424 -1.271 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -7.048 15.469 -3.348 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -8.005 14.209 -2.593 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.763 15.871 -2.017 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.800 17.151 -2.727 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.687 14.715 -4.307 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.672 16.159 -4.178 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -9.336 16.185 -6.176 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -8.861 17.447 -5.144 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -7.907 16.048 -5.270 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.920 15.285 0.762 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.383 15.239 0.769 1.00 0.67 C ATOM 2276 C ASN B 47 -11.914 13.828 0.588 1.00 0.59 C ATOM 2277 O ASN B 47 -12.851 13.609 -0.172 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.969 16.134 -0.320 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.875 17.608 0.008 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.947 18.053 0.682 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.843 18.374 -0.460 1.00 1.24 N ATOM 0 H ASN B 47 -9.524 15.893 1.479 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.694 15.603 1.748 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.448 15.943 -1.258 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -13.015 15.869 -0.476 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -12.840 19.375 -0.267 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.594 17.964 -1.015 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.323 12.876 1.296 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.742 11.477 1.205 1.00 0.48 C ATOM 2290 C ILE B 48 -13.192 11.312 1.665 1.00 0.48 C ATOM 2291 O ILE B 48 -13.790 10.246 1.556 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.826 10.573 2.055 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.072 9.097 1.743 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.043 10.842 3.534 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.909 8.755 0.281 1.00 0.38 C ATOM 0 H ILE B 48 -10.551 13.043 1.941 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.665 11.177 0.160 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.791 10.806 1.803 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.382 8.490 2.329 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.080 8.830 2.060 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.390 10.196 4.121 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.813 11.885 3.752 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.082 10.638 3.792 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.098 7.692 0.133 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.618 9.336 -0.310 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.893 8.990 -0.037 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.742 12.391 2.177 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.105 12.412 2.652 1.00 0.57 C ATOM 2309 C LYS B 49 -16.059 12.670 1.495 1.00 0.55 C ATOM 2310 O LYS B 49 -17.276 12.534 1.632 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.246 13.493 3.712 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.199 13.383 4.813 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.249 12.034 5.527 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.175 12.046 6.739 1.00 0.83 C ATOM 2315 NZ LYS B 49 -16.577 12.401 6.389 1.00 1.11 N ATOM 0 H LYS B 49 -13.253 13.281 2.275 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.356 11.446 3.090 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.167 14.472 3.239 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.240 13.433 4.155 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.207 13.528 4.384 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.353 14.182 5.539 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.583 11.269 4.827 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.244 11.758 5.845 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -15.161 11.064 7.211 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -14.797 12.758 7.473 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -17.212 12.106 7.158 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -16.651 13.430 6.254 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.849 11.916 5.510 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.493 13.043 0.356 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.275 13.321 -0.838 1.00 0.56 C ATOM 2331 C ASP B 50 -16.438 12.079 -1.683 1.00 0.50 C ATOM 2332 O ASP B 50 -15.471 11.403 -2.019 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.629 14.424 -1.680 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.051 15.818 -1.259 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -15.452 16.379 -0.320 1.00 1.56 O ATOM 2336 OD2 ASP B 50 -16.983 16.373 -1.883 1.00 1.59 O ATOM 0 H ASP B 50 -14.487 13.160 0.235 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.257 13.658 -0.506 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.545 14.341 -1.606 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.890 14.273 -2.728 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.682 11.800 -2.031 1.00 0.50 N ATOM 2342 CA LYS B 51 -18.022 10.693 -2.908 1.00 0.48 C ATOM 2343 C LYS B 51 -17.389 10.895 -4.275 1.00 0.49 C ATOM 2344 O LYS B 51 -17.059 9.935 -4.967 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.536 10.617 -3.041 1.00 0.53 C ATOM 2346 CG LYS B 51 -20.039 9.536 -3.983 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.721 8.144 -3.466 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.335 7.078 -4.356 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.813 7.219 -4.461 1.00 0.92 N ATOM 0 H LYS B 51 -18.488 12.337 -1.712 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.643 9.762 -2.486 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.965 10.448 -2.054 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.905 11.582 -3.388 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -21.117 9.639 -4.111 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -19.587 9.671 -4.965 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.641 8.007 -3.421 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -20.098 8.035 -2.449 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.894 7.139 -5.351 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -20.093 6.092 -3.960 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -22.225 6.323 -4.792 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -22.206 7.457 -3.528 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -22.042 7.976 -5.137 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.212 12.155 -4.643 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.564 12.505 -5.895 1.00 0.60 C ATOM 2365 C ALA B 52 -15.112 12.091 -5.836 1.00 0.57 C ATOM 2366 O ALA B 52 -14.535 11.631 -6.815 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.667 14.000 -6.144 1.00 0.67 C ATOM 0 H ALA B 52 -17.511 12.956 -4.087 1.00 0.55 H new ATOM 0 HA ALA B 52 -17.060 11.984 -6.714 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -16.177 14.247 -7.086 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.717 14.289 -6.195 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.181 14.539 -5.330 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.549 12.235 -4.652 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.160 11.892 -4.408 1.00 0.53 C ATOM 2375 C VAL B 53 -13.012 10.386 -4.337 1.00 0.47 C ATOM 2376 O VAL B 53 -12.103 9.802 -4.922 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.661 12.526 -3.094 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.352 11.897 -2.632 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.488 14.021 -3.266 1.00 0.60 C ATOM 0 H VAL B 53 -15.040 12.593 -3.833 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.558 12.281 -5.229 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.413 12.337 -2.327 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.030 12.368 -1.703 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.500 10.830 -2.465 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.589 12.042 -3.396 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.135 14.456 -2.331 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.760 14.215 -4.054 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.444 14.469 -3.537 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.945 9.767 -3.639 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.934 8.332 -3.454 1.00 0.36 C ATOM 2391 C ILE B 54 -14.141 7.617 -4.772 1.00 0.38 C ATOM 2392 O ILE B 54 -13.550 6.570 -5.027 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.022 7.922 -2.469 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.699 8.544 -1.121 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.128 6.402 -2.370 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.611 8.095 -0.014 1.00 0.38 C ATOM 0 H ILE B 54 -14.726 10.243 -3.188 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.960 8.048 -3.055 1.00 0.36 H new ATOM 0 HB ILE B 54 -15.992 8.281 -2.815 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.671 8.299 -0.855 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.755 9.629 -1.209 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -15.912 6.137 -1.660 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.371 5.990 -3.349 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.177 5.992 -2.030 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.319 8.581 0.917 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.639 8.365 -0.257 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -15.537 7.014 0.102 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.975 8.199 -5.611 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.231 7.653 -6.926 1.00 0.47 C ATOM 2410 C ASP B 55 -13.965 7.700 -7.741 1.00 0.48 C ATOM 2411 O ASP B 55 -13.560 6.708 -8.326 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.302 8.452 -7.635 1.00 0.54 C ATOM 2413 CG ASP B 55 -16.756 7.771 -8.911 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.191 6.599 -8.847 1.00 1.53 O ATOM 2415 OD2 ASP B 55 -16.668 8.402 -9.986 1.00 1.43 O ATOM 0 H ASP B 55 -15.489 9.055 -5.402 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.571 6.623 -6.815 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.156 8.587 -6.971 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.920 9.446 -7.869 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.349 8.871 -7.747 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.071 9.085 -8.404 1.00 0.53 C ATOM 2422 C GLU B 56 -11.077 7.989 -8.041 1.00 0.47 C ATOM 2423 O GLU B 56 -10.418 7.411 -8.910 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.523 10.440 -7.976 1.00 0.58 C ATOM 2425 CG GLU B 56 -12.196 11.613 -8.664 1.00 0.69 C ATOM 2426 CD GLU B 56 -12.092 11.543 -10.170 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -11.099 12.049 -10.724 1.00 1.77 O ATOM 2428 OE2 GLU B 56 -13.008 10.988 -10.810 1.00 1.66 O ATOM 0 H GLU B 56 -13.724 9.704 -7.293 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.218 9.059 -9.484 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.641 10.546 -6.898 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.454 10.472 -8.184 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -13.247 11.643 -8.377 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.744 12.542 -8.315 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.997 7.691 -6.754 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.083 6.690 -6.260 1.00 0.39 C ATOM 2437 C ILE B 57 -10.517 5.291 -6.672 1.00 0.36 C ATOM 2438 O ILE B 57 -9.739 4.546 -7.262 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.013 6.761 -4.741 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.535 8.141 -4.303 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -9.099 5.679 -4.209 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.605 8.357 -2.814 1.00 1.00 C ATOM 0 H ILE B 57 -11.563 8.136 -6.031 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.103 6.891 -6.692 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.009 6.597 -4.331 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.506 8.283 -4.635 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.138 8.900 -4.801 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -9.057 5.740 -3.122 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.482 4.702 -4.503 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -8.098 5.814 -4.619 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.250 9.359 -2.575 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.636 8.248 -2.479 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -8.980 7.620 -2.310 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.762 4.946 -6.360 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.287 3.618 -6.651 1.00 0.36 C ATOM 2456 C PHE B 58 -12.137 3.305 -8.129 1.00 0.41 C ATOM 2457 O PHE B 58 -11.667 2.233 -8.499 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.762 3.515 -6.260 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.278 2.104 -6.288 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.529 1.463 -7.489 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -14.496 1.416 -5.111 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -14.988 0.165 -7.511 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -14.959 0.119 -5.128 1.00 1.67 C ATOM 2464 CZ PHE B 58 -15.204 -0.508 -6.330 1.00 0.93 C ATOM 0 H PHE B 58 -12.427 5.570 -5.904 1.00 0.35 H new ATOM 0 HA PHE B 58 -11.716 2.897 -6.066 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -13.897 3.926 -5.259 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.356 4.127 -6.939 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.363 1.987 -8.419 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -14.301 1.901 -4.166 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -15.178 -0.325 -8.455 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -15.130 -0.406 -4.200 1.00 1.67 H new ATOM 0 HZ PHE B 58 -15.565 -1.526 -6.346 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.531 4.256 -8.961 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.438 4.109 -10.403 1.00 0.52 C ATOM 2476 C GLN B 59 -10.983 3.922 -10.813 1.00 0.52 C ATOM 2477 O GLN B 59 -10.683 3.244 -11.795 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.013 5.342 -11.107 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.506 5.575 -10.890 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.355 4.339 -11.119 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -14.993 3.447 -11.885 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -16.518 4.306 -10.486 1.00 1.63 N ATOM 0 H GLN B 59 -12.922 5.147 -8.657 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.015 3.233 -10.698 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.470 6.223 -10.764 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -12.827 5.250 -12.177 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.665 5.931 -9.872 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -14.843 6.366 -11.560 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -16.779 5.067 -9.859 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -17.152 3.519 -10.625 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.085 4.532 -10.043 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.665 4.393 -10.292 1.00 0.49 C ATOM 2493 C GLY B 60 -8.167 2.994 -9.994 1.00 0.47 C ATOM 2494 O GLY B 60 -7.179 2.546 -10.574 1.00 0.53 O ATOM 0 H GLY B 60 -10.321 5.124 -9.246 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.455 4.638 -11.333 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.118 5.110 -9.679 1.00 0.49 H new ATOM 2498 N LEU B 61 -8.856 2.294 -9.098 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.494 0.924 -8.770 1.00 0.44 C ATOM 2500 C LEU B 61 -9.194 -0.006 -9.731 1.00 0.51 C ATOM 2501 O LEU B 61 -8.567 -0.850 -10.367 1.00 0.59 O ATOM 2502 CB LEU B 61 -8.899 0.560 -7.334 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.041 1.737 -6.373 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.684 1.274 -5.078 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.688 2.381 -6.104 1.00 0.35 C ATOM 0 H LEU B 61 -9.664 2.653 -8.589 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.411 0.826 -8.851 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.848 0.024 -7.367 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.158 -0.129 -6.930 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.683 2.488 -6.833 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.782 2.120 -4.398 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.671 0.862 -5.289 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -9.062 0.507 -4.617 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.813 3.218 -5.417 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -7.016 1.645 -5.662 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.264 2.742 -7.041 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.501 0.198 -9.848 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.356 -0.627 -10.685 1.00 0.59 C ATOM 2519 C ASP B 62 -11.111 -0.338 -12.160 1.00 0.70 C ATOM 2520 O ASP B 62 -11.911 0.319 -12.830 1.00 0.75 O ATOM 2521 CB ASP B 62 -12.827 -0.388 -10.327 1.00 0.57 C ATOM 2522 CG ASP B 62 -13.775 -1.260 -11.127 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -13.609 -2.499 -11.135 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -14.702 -0.709 -11.749 1.00 1.11 O ATOM 0 H ASP B 62 -10.997 0.945 -9.361 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.115 -1.674 -10.503 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -12.973 -0.580 -9.264 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.072 0.660 -10.498 1.00 0.57 H new ATOM 2529 N ALA B 63 -9.985 -0.825 -12.656 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.655 -0.713 -14.067 1.00 0.94 C ATOM 2531 C ALA B 63 -10.464 -1.725 -14.859 1.00 1.12 C ATOM 2532 O ALA B 63 -10.596 -1.630 -16.078 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.165 -0.926 -14.281 1.00 1.00 C ATOM 0 H ALA B 63 -9.280 -1.305 -12.097 1.00 0.78 H new ATOM 0 HA ALA B 63 -9.905 0.289 -14.417 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -7.934 -0.839 -15.343 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.606 -0.173 -13.725 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -7.885 -1.919 -13.929 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.008 -2.696 -14.137 1.00 1.10 N ATOM 2540 CA ASN B 64 -11.852 -3.726 -14.721 1.00 1.28 C ATOM 2541 C ASN B 64 -13.220 -3.148 -15.084 1.00 1.22 C ATOM 2542 O ASN B 64 -13.962 -3.715 -15.887 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.002 -4.883 -13.729 1.00 1.34 C ATOM 2544 CG ASN B 64 -12.771 -6.067 -14.288 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -12.724 -6.354 -15.484 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -13.480 -6.768 -13.417 1.00 2.80 N ATOM 0 H ASN B 64 -10.876 -2.790 -13.130 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.388 -4.098 -15.634 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -11.011 -5.217 -13.420 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -12.509 -4.521 -12.835 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -14.014 -7.579 -13.729 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -13.493 -6.497 -12.434 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.521 -1.997 -14.476 1.00 1.04 N ATOM 2554 CA GLN B 65 -14.752 -1.249 -14.731 1.00 1.06 C ATOM 2555 C GLN B 65 -15.985 -2.070 -14.380 1.00 1.04 C ATOM 2556 O GLN B 65 -17.003 -2.015 -15.072 1.00 1.17 O ATOM 2557 CB GLN B 65 -14.824 -0.782 -16.187 1.00 1.32 C ATOM 2558 CG GLN B 65 -13.707 0.172 -16.580 1.00 1.38 C ATOM 2559 CD GLN B 65 -13.823 0.660 -18.012 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -15.045 0.775 -18.510 1.00 2.72 O flip ATOM 2561 NE2 GLN B 65 -12.819 0.946 -18.663 1.00 2.58 N flip ATOM 0 H GLN B 65 -12.911 -1.556 -13.788 1.00 1.04 H new ATOM 0 HA GLN B 65 -14.734 -0.370 -14.087 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -14.792 -1.654 -16.841 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -15.783 -0.293 -16.355 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -13.715 1.030 -15.907 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -12.747 -0.327 -16.448 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -11.894 0.844 -18.245 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -12.912 1.285 -19.621 1.00 2.58 H new ATOM 2570 N ASP B 66 -15.895 -2.823 -13.295 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.007 -3.650 -12.854 1.00 0.95 C ATOM 2572 C ASP B 66 -17.591 -3.090 -11.565 1.00 0.81 C ATOM 2573 O ASP B 66 -18.590 -3.589 -11.041 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.554 -5.101 -12.659 1.00 1.06 C ATOM 2575 CG ASP B 66 -17.715 -6.051 -12.451 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -18.524 -6.214 -13.386 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -17.818 -6.658 -11.366 1.00 2.14 O ATOM 0 H ASP B 66 -15.065 -2.879 -12.705 1.00 0.93 H new ATOM 0 HA ASP B 66 -17.781 -3.638 -13.622 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -15.981 -5.419 -13.530 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -15.885 -5.157 -11.800 1.00 1.06 H new ATOM 2582 N GLU B 67 -16.951 -2.027 -11.079 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.351 -1.344 -9.857 1.00 0.63 C ATOM 2584 C GLU B 67 -17.268 -2.299 -8.666 1.00 0.58 C ATOM 2585 O GLU B 67 -18.193 -2.416 -7.864 1.00 0.61 O ATOM 2586 CB GLU B 67 -18.755 -0.740 -10.015 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.205 0.139 -8.853 1.00 0.97 C ATOM 2588 CD GLU B 67 -18.303 1.330 -8.596 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -18.233 2.240 -9.454 1.00 2.00 O ATOM 2590 OE2 GLU B 67 -17.683 1.379 -7.516 1.00 2.01 O ATOM 0 H GLU B 67 -16.134 -1.615 -11.529 1.00 0.73 H new ATOM 0 HA GLU B 67 -16.664 -0.520 -9.665 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -18.781 -0.149 -10.931 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.473 -1.551 -10.139 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -20.215 0.497 -9.052 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -19.254 -0.468 -7.949 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.148 -3.002 -8.572 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.876 -3.856 -7.428 1.00 0.66 C ATOM 2599 C GLN B 68 -14.397 -3.801 -7.073 1.00 0.66 C ATOM 2600 O GLN B 68 -13.532 -4.127 -7.887 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.307 -5.307 -7.685 1.00 0.86 C ATOM 2602 CG GLN B 68 -15.586 -5.974 -8.846 1.00 1.38 C ATOM 2603 CD GLN B 68 -15.829 -7.468 -8.907 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -16.891 -7.959 -8.520 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -14.835 -8.205 -9.377 1.00 2.07 N ATOM 0 H GLN B 68 -15.412 -2.996 -9.278 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.462 -3.482 -6.589 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -16.135 -5.891 -6.781 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -17.380 -5.327 -7.878 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -15.913 -5.519 -9.781 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -14.516 -5.788 -8.758 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -13.972 -7.759 -9.687 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -14.932 -9.219 -9.429 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.106 -3.345 -5.873 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.744 -3.298 -5.402 1.00 0.64 C ATOM 2616 C VAL B 69 -12.308 -4.670 -4.886 1.00 0.64 C ATOM 2617 O VAL B 69 -12.742 -5.128 -3.832 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.570 -2.215 -4.302 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -13.549 -2.417 -3.151 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -11.140 -2.187 -3.790 1.00 1.22 C ATOM 0 H VAL B 69 -14.798 -3.002 -5.207 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.104 -3.026 -6.242 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.792 -1.251 -4.758 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -13.396 -1.640 -2.402 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -14.570 -2.361 -3.528 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.382 -3.395 -2.699 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -11.044 -1.421 -3.021 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -10.886 -3.159 -3.368 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -10.463 -1.961 -4.614 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.466 -5.342 -5.658 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.862 -6.588 -5.207 1.00 0.73 C ATOM 2632 C ASP B 70 -9.737 -6.277 -4.243 1.00 0.64 C ATOM 2633 O ASP B 70 -9.395 -5.113 -4.055 1.00 0.56 O ATOM 2634 CB ASP B 70 -10.319 -7.414 -6.377 1.00 0.84 C ATOM 2635 CG ASP B 70 -11.393 -8.188 -7.113 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -11.763 -9.282 -6.643 1.00 2.02 O ATOM 2637 OD2 ASP B 70 -11.849 -7.717 -8.177 1.00 1.98 O ATOM 0 H ASP B 70 -11.187 -5.048 -6.594 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.634 -7.178 -4.713 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -9.814 -6.750 -7.078 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.570 -8.112 -6.003 1.00 0.84 H new ATOM 2642 N PHE B 71 -9.142 -7.291 -3.641 1.00 0.70 N ATOM 2643 CA PHE B 71 -8.019 -7.060 -2.742 1.00 0.67 C ATOM 2644 C PHE B 71 -6.854 -6.439 -3.510 1.00 0.56 C ATOM 2645 O PHE B 71 -6.098 -5.633 -2.968 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.589 -8.358 -2.059 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.606 -8.893 -1.087 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.668 -9.669 -1.525 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -8.497 -8.619 0.267 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -10.599 -10.163 -0.632 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -9.426 -9.110 1.165 1.00 1.76 C ATOM 2652 CZ PHE B 71 -10.478 -9.883 0.715 1.00 1.77 C ATOM 0 H PHE B 71 -9.410 -8.269 -3.753 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.335 -6.365 -1.964 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.395 -9.113 -2.821 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.650 -8.188 -1.532 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.769 -9.890 -2.577 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -7.677 -8.015 0.625 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -11.421 -10.768 -0.987 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -9.329 -8.889 2.218 1.00 1.76 H new ATOM 0 HZ PHE B 71 -11.205 -10.268 1.415 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.734 -6.807 -4.782 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.739 -6.225 -5.673 1.00 0.57 C ATOM 2664 C GLN B 72 -6.074 -4.769 -5.996 1.00 0.50 C ATOM 2665 O GLN B 72 -5.194 -3.912 -6.030 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.651 -7.045 -6.959 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.680 -6.477 -7.975 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.655 -7.274 -9.260 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -5.429 -7.015 -10.177 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -3.760 -8.241 -9.341 1.00 1.66 N ATOM 0 H GLN B 72 -7.322 -7.515 -5.222 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.773 -6.244 -5.168 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -5.350 -8.063 -6.711 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.642 -7.106 -7.410 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.953 -5.445 -8.196 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.679 -6.457 -7.544 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -3.135 -8.424 -8.556 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -3.694 -8.805 -10.188 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.349 -4.489 -6.225 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.792 -3.124 -6.492 1.00 0.47 C ATOM 2681 C GLU B 73 -7.650 -2.289 -5.224 1.00 0.36 C ATOM 2682 O GLU B 73 -7.339 -1.100 -5.266 1.00 0.33 O ATOM 2683 CB GLU B 73 -9.244 -3.116 -6.982 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.533 -4.131 -8.082 1.00 0.78 C ATOM 2685 CD GLU B 73 -8.748 -3.891 -9.358 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -7.516 -4.103 -9.353 1.00 1.99 O ATOM 2687 OE2 GLU B 73 -9.363 -3.518 -10.378 1.00 1.82 O ATOM 0 H GLU B 73 -8.095 -5.185 -6.232 1.00 0.50 H new ATOM 0 HA GLU B 73 -7.170 -2.692 -7.276 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.903 -3.314 -6.137 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.487 -2.119 -7.349 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -9.307 -5.130 -7.710 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -10.598 -4.110 -8.312 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.862 -2.932 -4.089 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.649 -2.307 -2.797 1.00 0.34 C ATOM 2696 C PHE B 74 -6.159 -2.090 -2.561 1.00 0.32 C ATOM 2697 O PHE B 74 -5.754 -1.203 -1.814 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.258 -3.179 -1.694 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.001 -2.679 -0.301 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -8.598 -1.514 0.154 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.168 -3.380 0.554 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -8.368 -1.059 1.437 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -6.934 -2.929 1.836 1.00 1.92 C ATOM 2704 CZ PHE B 74 -7.535 -1.768 2.280 1.00 1.90 C ATOM 0 H PHE B 74 -8.185 -3.898 -4.038 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.141 -1.334 -2.779 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.335 -3.245 -1.851 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.860 -4.190 -1.784 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.250 -0.956 -0.502 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.696 -4.290 0.213 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -8.839 -0.150 1.781 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.281 -3.484 2.493 1.00 1.92 H new ATOM 0 HZ PHE B 74 -7.354 -1.415 3.285 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.349 -2.889 -3.234 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.909 -2.751 -3.165 1.00 0.36 C ATOM 2716 C ILE B 75 -3.486 -1.450 -3.833 1.00 0.34 C ATOM 2717 O ILE B 75 -2.646 -0.712 -3.312 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.221 -3.975 -3.812 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.856 -4.990 -2.741 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -2.001 -3.584 -4.624 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.610 -6.366 -3.295 1.00 0.67 C ATOM 0 H ILE B 75 -5.670 -3.645 -3.838 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.596 -2.714 -2.122 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.929 -4.426 -4.507 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.963 -4.651 -2.216 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.659 -5.039 -2.006 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.552 -4.477 -5.059 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.298 -2.902 -5.421 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.276 -3.091 -3.977 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -2.354 -7.045 -2.482 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.510 -6.723 -3.796 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.788 -6.329 -4.009 1.00 0.67 H new ATOM 2733 N SER B 76 -4.100 -1.150 -4.970 1.00 0.34 N ATOM 2734 CA SER B 76 -3.872 0.119 -5.624 1.00 0.36 C ATOM 2735 C SER B 76 -4.482 1.256 -4.805 1.00 0.31 C ATOM 2736 O SER B 76 -3.983 2.371 -4.826 1.00 0.33 O ATOM 2737 CB SER B 76 -4.416 0.098 -7.053 1.00 0.45 C ATOM 2738 OG SER B 76 -5.611 -0.662 -7.146 1.00 0.74 O ATOM 0 H SER B 76 -4.754 -1.767 -5.451 1.00 0.34 H new ATOM 0 HA SER B 76 -2.798 0.293 -5.687 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.606 1.118 -7.385 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.665 -0.321 -7.723 1.00 0.45 H new ATOM 0 HG SER B 76 -6.161 -0.505 -6.350 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.542 0.958 -4.057 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.147 1.943 -3.160 1.00 0.26 C ATOM 2746 C LEU B 77 -5.114 2.421 -2.151 1.00 0.23 C ATOM 2747 O LEU B 77 -4.972 3.620 -1.908 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.377 1.335 -2.452 1.00 0.30 C ATOM 2749 CG LEU B 77 -8.071 2.189 -1.372 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.356 2.090 -0.030 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.173 3.638 -1.809 1.00 1.14 C ATOM 0 H LEU B 77 -5.999 0.046 -4.053 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.485 2.802 -3.740 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.117 1.090 -3.214 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.070 0.396 -1.992 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.078 1.791 -1.245 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.875 2.705 0.705 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.351 1.052 0.304 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.330 2.441 -0.138 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.666 4.219 -1.030 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.174 4.037 -1.982 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.753 3.700 -2.730 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.382 1.480 -1.583 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.363 1.805 -0.605 1.00 0.25 C ATOM 2765 C VAL B 78 -2.244 2.590 -1.262 1.00 0.27 C ATOM 2766 O VAL B 78 -1.641 3.441 -0.643 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.786 0.545 0.052 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.811 0.919 1.154 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.907 -0.330 0.588 1.00 0.31 C ATOM 0 H VAL B 78 -4.475 0.484 -1.783 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.833 2.409 0.172 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.240 -0.024 -0.700 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.411 0.013 1.609 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -0.994 1.505 0.733 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.327 1.508 1.912 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.483 -1.221 1.052 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.481 0.227 1.329 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.562 -0.624 -0.232 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.987 2.304 -2.527 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.007 3.050 -3.296 1.00 0.36 C ATOM 2781 C ALA B 79 -1.429 4.513 -3.399 1.00 0.33 C ATOM 2782 O ALA B 79 -0.621 5.430 -3.233 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.863 2.431 -4.678 1.00 0.43 C ATOM 0 H ALA B 79 -2.447 1.556 -3.045 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.041 3.007 -2.793 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.127 2.993 -5.253 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.535 1.396 -4.581 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.824 2.460 -5.192 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.712 4.711 -3.665 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.313 6.039 -3.689 1.00 0.32 C ATOM 2791 C ILE B 80 -3.177 6.704 -2.323 1.00 0.28 C ATOM 2792 O ILE B 80 -2.780 7.864 -2.213 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.818 5.961 -4.085 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -5.000 5.924 -5.609 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.609 7.125 -3.502 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.230 4.830 -6.312 1.00 0.40 C ATOM 0 H ILE B 80 -3.367 3.956 -3.870 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.786 6.634 -4.435 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.204 5.032 -3.666 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.060 5.804 -5.832 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.695 6.886 -6.021 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.654 7.039 -3.798 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.537 7.105 -2.415 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.202 8.065 -3.876 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.420 4.882 -7.384 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.164 4.958 -6.126 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.550 3.859 -5.934 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.479 5.945 -1.288 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.525 6.470 0.063 1.00 0.23 C ATOM 2810 C ALA B 81 -2.130 6.643 0.668 1.00 0.23 C ATOM 2811 O ALA B 81 -1.937 7.435 1.589 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.396 5.574 0.918 1.00 0.24 C ATOM 0 H ALA B 81 -3.699 4.951 -1.359 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.962 7.468 0.029 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.433 5.965 1.935 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.404 5.544 0.504 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.979 4.567 0.932 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.162 5.909 0.146 1.00 0.22 N ATOM 2819 CA LEU B 82 0.229 6.082 0.533 1.00 0.23 C ATOM 2820 C LEU B 82 0.728 7.421 0.046 1.00 0.24 C ATOM 2821 O LEU B 82 1.467 8.120 0.741 1.00 0.30 O ATOM 2822 CB LEU B 82 1.099 4.975 -0.045 1.00 0.25 C ATOM 2823 CG LEU B 82 0.960 3.620 0.634 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.743 2.584 -0.132 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.432 3.687 2.079 1.00 0.32 C ATOM 0 H LEU B 82 -1.315 5.182 -0.553 1.00 0.22 H new ATOM 0 HA LEU B 82 0.290 6.036 1.620 1.00 0.23 H new ATOM 0 HB2 LEU B 82 0.858 4.860 -1.102 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.142 5.287 0.012 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.093 3.337 0.639 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.641 1.615 0.357 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.360 2.518 -1.150 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.795 2.868 -0.158 1.00 0.33 H new ATOM 0 HD21 LEU B 82 1.323 2.707 2.543 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.480 3.987 2.106 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.832 4.415 2.624 1.00 0.32 H new ATOM 2837 N LYS B 83 0.319 7.782 -1.159 1.00 0.26 N ATOM 2838 CA LYS B 83 0.640 9.097 -1.672 1.00 0.33 C ATOM 2839 C LYS B 83 -0.231 10.148 -1.015 1.00 0.31 C ATOM 2840 O LYS B 83 0.088 11.323 -1.030 1.00 0.44 O ATOM 2841 CB LYS B 83 0.513 9.177 -3.181 1.00 0.42 C ATOM 2842 CG LYS B 83 1.843 9.473 -3.834 1.00 0.66 C ATOM 2843 CD LYS B 83 1.682 9.972 -5.245 1.00 1.04 C ATOM 2844 CE LYS B 83 2.956 10.654 -5.704 1.00 0.80 C ATOM 2845 NZ LYS B 83 2.858 11.136 -7.107 1.00 1.67 N ATOM 0 H LYS B 83 -0.226 7.193 -1.788 1.00 0.26 H new ATOM 0 HA LYS B 83 1.684 9.289 -1.426 1.00 0.33 H new ATOM 0 HB2 LYS B 83 0.120 8.235 -3.564 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.204 9.954 -3.446 1.00 0.42 H new ATOM 0 HG2 LYS B 83 2.378 10.218 -3.245 1.00 0.66 H new ATOM 0 HG3 LYS B 83 2.454 8.570 -3.837 1.00 0.66 H new ATOM 0 HD2 LYS B 83 1.446 9.140 -5.909 1.00 1.04 H new ATOM 0 HD3 LYS B 83 0.847 10.670 -5.299 1.00 1.04 H new ATOM 0 HE2 LYS B 83 3.173 11.496 -5.046 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.791 9.958 -5.618 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 3.750 11.595 -7.379 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 2.676 10.330 -7.739 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 2.078 11.820 -7.185 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.339 9.729 -0.453 1.00 0.31 N ATOM 2860 CA ALA B 84 -2.124 10.611 0.380 1.00 0.35 C ATOM 2861 C ALA B 84 -1.371 10.908 1.673 1.00 0.33 C ATOM 2862 O ALA B 84 -1.603 11.922 2.320 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.469 9.989 0.671 1.00 0.48 C ATOM 0 H ALA B 84 -1.717 8.787 -0.556 1.00 0.31 H new ATOM 0 HA ALA B 84 -2.290 11.551 -0.147 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -4.053 10.662 1.299 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -4.000 9.815 -0.265 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.327 9.041 1.189 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.481 9.998 2.049 1.00 0.30 N ATOM 2870 CA ALA B 85 0.381 10.190 3.206 1.00 0.38 C ATOM 2871 C ALA B 85 1.627 11.006 2.843 1.00 0.44 C ATOM 2872 O ALA B 85 1.906 12.030 3.464 1.00 0.57 O ATOM 2873 CB ALA B 85 0.771 8.845 3.793 1.00 0.42 C ATOM 0 H ALA B 85 -0.338 9.112 1.564 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.174 10.754 3.956 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.416 8.999 4.658 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.126 8.308 4.100 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.304 8.261 3.042 1.00 0.42 H new ATOM 2879 N HIS B 86 2.377 10.547 1.840 1.00 0.44 N ATOM 2880 CA HIS B 86 3.615 11.227 1.435 1.00 0.59 C ATOM 2881 C HIS B 86 3.316 12.499 0.639 1.00 0.63 C ATOM 2882 O HIS B 86 3.756 13.590 0.991 1.00 0.72 O ATOM 2883 CB HIS B 86 4.505 10.297 0.602 1.00 0.69 C ATOM 2884 CG HIS B 86 5.755 10.969 0.110 1.00 1.28 C ATOM 2885 ND1 HIS B 86 5.979 11.286 -1.214 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.837 11.415 0.785 1.00 2.11 C ATOM 2887 CE1 HIS B 86 7.140 11.902 -1.325 1.00 2.66 C ATOM 2888 NE2 HIS B 86 7.681 11.994 -0.127 1.00 2.68 N ATOM 0 H HIS B 86 2.154 9.714 1.295 1.00 0.44 H new ATOM 0 HA HIS B 86 4.145 11.502 2.347 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.778 9.429 1.203 1.00 0.69 H new ATOM 0 HB3 HIS B 86 3.937 9.928 -0.252 1.00 0.69 H new ATOM 0 HD2 HIS B 86 7.006 11.331 1.848 1.00 2.11 H new ATOM 0 HE1 HIS B 86 7.574 12.269 -2.243 1.00 2.66 H new ATOM 0 HE2 HIS B 86 8.580 12.425 0.087 1.00 2.68 H new ATOM 2897 N TYR B 87 2.562 12.338 -0.434 1.00 0.58 N ATOM 2898 CA TYR B 87 2.191 13.438 -1.324 1.00 0.65 C ATOM 2899 C TYR B 87 0.976 14.171 -0.765 1.00 0.62 C ATOM 2900 O TYR B 87 0.204 14.760 -1.519 1.00 0.66 O ATOM 2901 CB TYR B 87 1.906 12.939 -2.743 1.00 0.69 C ATOM 2902 CG TYR B 87 2.287 13.917 -3.835 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.594 13.984 -4.304 1.00 1.63 C ATOM 2904 CD2 TYR B 87 1.344 14.761 -4.406 1.00 1.43 C ATOM 2905 CE1 TYR B 87 3.947 14.863 -5.309 1.00 1.80 C ATOM 2906 CE2 TYR B 87 1.690 15.645 -5.409 1.00 1.54 C ATOM 2907 CZ TYR B 87 2.994 15.691 -5.859 1.00 1.29 C ATOM 2908 OH TYR B 87 3.344 16.566 -6.862 1.00 1.51 O ATOM 0 H TYR B 87 2.184 11.435 -0.720 1.00 0.58 H new ATOM 0 HA TYR B 87 3.033 14.128 -1.380 1.00 0.65 H new ATOM 0 HB2 TYR B 87 2.446 12.006 -2.903 1.00 0.69 H new ATOM 0 HB3 TYR B 87 0.843 12.712 -2.829 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.346 13.338 -3.875 1.00 1.63 H new ATOM 0 HD2 TYR B 87 0.322 14.726 -4.060 1.00 1.43 H new ATOM 0 HE1 TYR B 87 4.967 14.901 -5.662 1.00 1.80 H new ATOM 0 HE2 TYR B 87 0.944 16.297 -5.839 1.00 1.54 H new ATOM 0 HH TYR B 87 2.555 17.077 -7.141 1.00 1.51 H new ATOM 2918 N HIS B 88 0.775 14.029 0.554 1.00 0.59 N ATOM 2919 CA HIS B 88 -0.359 14.607 1.306 1.00 0.62 C ATOM 2920 C HIS B 88 -0.643 16.079 0.965 1.00 0.70 C ATOM 2921 O HIS B 88 -1.614 16.658 1.454 1.00 0.76 O ATOM 2922 CB HIS B 88 -0.072 14.480 2.812 1.00 0.65 C ATOM 2923 CG HIS B 88 -1.221 14.858 3.704 1.00 1.54 C ATOM 2924 ND1 HIS B 88 -2.317 14.049 3.899 1.00 2.37 N ATOM 2925 CD2 HIS B 88 -1.434 15.962 4.462 1.00 2.40 C ATOM 2926 CE1 HIS B 88 -3.153 14.634 4.735 1.00 3.26 C ATOM 2927 NE2 HIS B 88 -2.642 15.797 5.093 1.00 3.27 N ATOM 0 H HIS B 88 1.411 13.496 1.146 1.00 0.59 H new ATOM 0 HA HIS B 88 -1.249 14.047 1.018 1.00 0.62 H new ATOM 0 HB2 HIS B 88 0.215 13.451 3.028 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.784 15.108 3.059 1.00 0.65 H new ATOM 0 HD1 HIS B 88 -2.461 13.138 3.464 1.00 2.37 H new ATOM 0 HD2 HIS B 88 -0.775 16.813 4.553 1.00 2.40 H new ATOM 0 HE1 HIS B 88 -4.097 14.229 5.070 1.00 3.26 H new ATOM 2936 N THR B 89 0.170 16.669 0.111 1.00 0.73 N ATOM 2937 CA THR B 89 -0.041 18.036 -0.308 1.00 0.81 C ATOM 2938 C THR B 89 -1.282 18.088 -1.193 1.00 0.72 C ATOM 2939 O THR B 89 -2.002 19.085 -1.211 1.00 1.05 O ATOM 2940 CB THR B 89 1.192 18.591 -1.059 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.960 19.944 -1.468 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.534 17.735 -2.275 1.00 0.90 C ATOM 0 H THR B 89 0.985 16.219 -0.306 1.00 0.73 H new ATOM 0 HA THR B 89 -0.188 18.663 0.572 1.00 0.81 H new ATOM 0 HB THR B 89 2.038 18.562 -0.372 1.00 0.97 H new ATOM 0 HG1 THR B 89 1.749 20.283 -1.941 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.405 18.152 -2.780 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.754 16.717 -1.953 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.687 17.723 -2.961 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.515 16.964 -1.888 1.00 0.66 N ATOM 2951 CA HIS B 90 -2.658 16.736 -2.776 1.00 0.65 C ATOM 2952 C HIS B 90 -2.280 15.672 -3.785 1.00 0.94 C ATOM 2953 O HIS B 90 -1.901 15.996 -4.911 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.077 17.979 -3.564 1.00 0.91 C ATOM 2955 CG HIS B 90 -4.394 18.566 -3.146 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -5.600 18.169 -3.686 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -4.693 19.537 -2.250 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -6.575 18.873 -3.143 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -6.052 19.705 -2.269 1.00 3.47 N ATOM 0 H HIS B 90 -0.887 16.161 -1.843 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.493 16.443 -2.140 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -2.304 18.740 -3.456 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -3.127 17.723 -4.622 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -3.990 20.078 -1.635 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -7.625 18.781 -3.377 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -6.575 20.369 -1.697 1.00 3.47 H new