USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 LYS NZ :NH3+ 146:sc= 1.14 (180deg=0.446) USER MOD Set 1.2: A 82 THR OG1 : rot -90:sc= -0.213 USER MOD Set 2.1: A 77 CYS SG : rot 180:sc= -0.194 USER MOD Set 2.2: A 81 ASN : amide:sc= 0.847 K(o=0.65,f=-4.3!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 18 SER OG : rot 65:sc= 0.545 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 28 ASN : amide:sc= -0.367 K(o=-0.37,f=-2.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 33 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-3.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.00567 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0873 X(o=-0.087,f=-0.27) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 72 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2.3!) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc=-0.00732 (180deg=-0.0796) USER MOD Single : A 74 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.052) USER MOD Single : A 78 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 84 GLN : amide:sc= -0.0686 K(o=-0.069,f=-2.1!) USER MOD Single : A 87 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.0073) USER MOD Single : A 92 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.480 -8.815 -8.659 1.00 31.55 N ATOM 61 CA GLY A 5 -5.233 -9.356 -9.142 1.00 71.51 C ATOM 62 C GLY A 5 -4.677 -8.449 -10.195 1.00 2.32 C ATOM 63 O GLY A 5 -3.545 -8.641 -10.647 1.00 34.34 O ATOM 0 HA2 GLY A 5 -4.524 -9.456 -8.320 1.00 71.51 H new ATOM 0 HA3 GLY A 5 -5.390 -10.354 -9.551 1.00 71.51 H new ATOM 67 N ASP A 6 -5.456 -7.427 -10.632 1.00 41.42 N ATOM 68 CA ASP A 6 -4.946 -6.489 -11.635 1.00 54.55 C ATOM 69 C ASP A 6 -4.016 -5.554 -10.922 1.00 62.34 C ATOM 70 O ASP A 6 -4.314 -5.095 -9.813 1.00 14.10 O ATOM 71 CB ASP A 6 -6.048 -5.661 -12.353 1.00 75.44 C ATOM 72 CG ASP A 6 -5.440 -4.855 -13.501 1.00 52.02 C ATOM 73 OD1 ASP A 6 -4.602 -5.407 -14.250 1.00 4.34 O ATOM 74 OD2 ASP A 6 -5.843 -3.680 -13.689 1.00 52.54 O ATOM 0 H ASP A 6 -6.407 -7.244 -10.312 1.00 41.42 H new ATOM 0 HA ASP A 6 -4.456 -7.068 -12.418 1.00 54.55 H new ATOM 0 HB2 ASP A 6 -6.821 -6.327 -12.736 1.00 75.44 H new ATOM 0 HB3 ASP A 6 -6.529 -4.989 -11.642 1.00 75.44 H new ATOM 79 N ILE A 7 -2.844 -5.313 -11.524 1.00 40.43 N ATOM 80 CA ILE A 7 -1.828 -4.554 -10.940 1.00 43.15 C ATOM 81 C ILE A 7 -1.814 -3.227 -11.622 1.00 52.32 C ATOM 82 O ILE A 7 -1.966 -3.152 -12.835 1.00 23.13 O ATOM 83 CB ILE A 7 -0.520 -5.216 -11.172 1.00 41.41 C ATOM 84 CG1 ILE A 7 -0.713 -6.741 -10.941 1.00 64.32 C ATOM 85 CG2 ILE A 7 0.519 -4.531 -10.274 1.00 61.10 C ATOM 86 CD1 ILE A 7 0.549 -7.477 -10.715 1.00 71.24 C ATOM 0 H ILE A 7 -2.610 -5.667 -12.452 1.00 40.43 H new ATOM 0 HA ILE A 7 -1.997 -4.450 -9.868 1.00 43.15 H new ATOM 0 HB ILE A 7 -0.144 -5.115 -12.190 1.00 41.41 H new ATOM 0 HG12 ILE A 7 -1.367 -6.888 -10.082 1.00 64.32 H new ATOM 0 HG13 ILE A 7 -1.221 -7.168 -11.805 1.00 64.32 H new ATOM 0 HG21 ILE A 7 1.493 -4.997 -10.423 1.00 61.10 H new ATOM 0 HG22 ILE A 7 0.580 -3.473 -10.530 1.00 61.10 H new ATOM 0 HG23 ILE A 7 0.223 -4.635 -9.230 1.00 61.10 H new ATOM 0 HD11 ILE A 7 0.331 -8.534 -10.562 1.00 71.24 H new ATOM 0 HD12 ILE A 7 1.198 -7.362 -11.583 1.00 71.24 H new ATOM 0 HD13 ILE A 7 1.050 -7.078 -9.833 1.00 71.24 H new ATOM 98 N PHE A 8 -1.652 -2.157 -10.847 1.00 23.42 N ATOM 99 CA PHE A 8 -1.611 -0.847 -11.420 1.00 50.11 C ATOM 100 C PHE A 8 -0.872 0.031 -10.470 1.00 22.14 C ATOM 101 O PHE A 8 -0.517 -0.385 -9.375 1.00 40.22 O ATOM 102 CB PHE A 8 -3.020 -0.212 -11.780 1.00 43.00 C ATOM 103 CG PHE A 8 -3.951 -0.177 -10.573 1.00 62.05 C ATOM 104 CD1 PHE A 8 -4.377 -1.374 -9.921 1.00 73.45 C ATOM 105 CD2 PHE A 8 -4.451 1.058 -10.097 1.00 25.33 C ATOM 106 CE1 PHE A 8 -5.225 -1.317 -8.808 1.00 32.54 C ATOM 107 CE2 PHE A 8 -5.332 1.096 -8.998 1.00 2.13 C ATOM 108 CZ PHE A 8 -5.703 -0.089 -8.351 1.00 55.43 C ATOM 0 H PHE A 8 -1.549 -2.187 -9.833 1.00 23.42 H new ATOM 0 HA PHE A 8 -1.111 -0.935 -12.385 1.00 50.11 H new ATOM 0 HB2 PHE A 8 -2.876 0.800 -12.158 1.00 43.00 H new ATOM 0 HB3 PHE A 8 -3.484 -0.788 -12.580 1.00 43.00 H new ATOM 0 HD1 PHE A 8 -4.042 -2.332 -10.290 1.00 73.45 H new ATOM 0 HD2 PHE A 8 -4.155 1.978 -10.579 1.00 25.33 H new ATOM 0 HE1 PHE A 8 -5.510 -2.227 -8.302 1.00 32.54 H new ATOM 0 HE2 PHE A 8 -5.722 2.042 -8.654 1.00 2.13 H new ATOM 0 HZ PHE A 8 -6.361 -0.052 -7.496 1.00 55.43 H new ATOM 118 N GLU A 9 -0.594 1.258 -10.904 1.00 3.35 N ATOM 119 CA GLU A 9 0.062 2.226 -10.066 1.00 15.51 C ATOM 120 C GLU A 9 -0.917 3.310 -9.851 1.00 71.44 C ATOM 121 O GLU A 9 -1.833 3.507 -10.660 1.00 71.24 O ATOM 122 CB GLU A 9 1.361 2.844 -10.678 1.00 73.41 C ATOM 123 CG GLU A 9 1.499 2.665 -12.203 1.00 52.11 C ATOM 124 CD GLU A 9 0.404 3.439 -12.906 1.00 41.14 C ATOM 125 OE1 GLU A 9 0.390 4.689 -12.803 1.00 12.42 O ATOM 126 OE2 GLU A 9 -0.441 2.803 -13.570 1.00 32.45 O ATOM 0 H GLU A 9 -0.820 1.595 -11.840 1.00 3.35 H new ATOM 0 HA GLU A 9 0.380 1.723 -9.153 1.00 15.51 H new ATOM 0 HB2 GLU A 9 1.385 3.909 -10.447 1.00 73.41 H new ATOM 0 HB3 GLU A 9 2.226 2.393 -10.192 1.00 73.41 H new ATOM 0 HG2 GLU A 9 2.476 3.016 -12.534 1.00 52.11 H new ATOM 0 HG3 GLU A 9 1.436 1.608 -12.463 1.00 52.11 H new ATOM 133 N VAL A 10 -0.754 4.030 -8.742 1.00 54.51 N ATOM 134 CA VAL A 10 -1.582 5.151 -8.456 1.00 12.12 C ATOM 135 C VAL A 10 -0.718 6.111 -7.705 1.00 14.42 C ATOM 136 O VAL A 10 0.297 5.723 -7.087 1.00 42.21 O ATOM 137 CB VAL A 10 -2.812 4.836 -7.602 1.00 21.05 C ATOM 138 CG1 VAL A 10 -3.799 4.020 -8.440 1.00 13.50 C ATOM 139 CG2 VAL A 10 -2.353 4.082 -6.346 1.00 4.44 C ATOM 0 H VAL A 10 -0.044 3.837 -8.035 1.00 54.51 H new ATOM 0 HA VAL A 10 -1.973 5.536 -9.398 1.00 12.12 H new ATOM 0 HB VAL A 10 -3.321 5.745 -7.283 1.00 21.05 H new ATOM 0 HG11 VAL A 10 -4.680 3.789 -7.842 1.00 13.50 H new ATOM 0 HG12 VAL A 10 -4.096 4.596 -9.316 1.00 13.50 H new ATOM 0 HG13 VAL A 10 -3.325 3.092 -8.760 1.00 13.50 H new ATOM 0 HG21 VAL A 10 -3.218 3.849 -5.725 1.00 4.44 H new ATOM 0 HG22 VAL A 10 -1.856 3.157 -6.638 1.00 4.44 H new ATOM 0 HG23 VAL A 10 -1.658 4.704 -5.782 1.00 4.44 H new ATOM 149 N GLU A 11 -1.101 7.379 -7.759 1.00 14.54 N ATOM 150 CA GLU A 11 -0.467 8.392 -6.978 1.00 11.30 C ATOM 151 C GLU A 11 -1.443 8.764 -5.906 1.00 4.14 C ATOM 152 O GLU A 11 -2.612 8.988 -6.188 1.00 32.43 O ATOM 153 CB GLU A 11 -0.107 9.645 -7.803 1.00 30.42 C ATOM 154 CG GLU A 11 -1.214 10.120 -8.754 1.00 13.32 C ATOM 155 CD GLU A 11 -0.688 11.285 -9.550 1.00 63.13 C ATOM 156 OE1 GLU A 11 -0.345 12.317 -8.946 1.00 54.13 O ATOM 157 OE2 GLU A 11 -0.633 11.181 -10.796 1.00 4.24 O ATOM 0 H GLU A 11 -1.860 7.718 -8.349 1.00 14.54 H new ATOM 0 HA GLU A 11 0.473 8.010 -6.580 1.00 11.30 H new ATOM 0 HB2 GLU A 11 0.140 10.457 -7.119 1.00 30.42 H new ATOM 0 HB3 GLU A 11 0.790 9.436 -8.386 1.00 30.42 H new ATOM 0 HG2 GLU A 11 -1.515 9.311 -9.419 1.00 13.32 H new ATOM 0 HG3 GLU A 11 -2.099 10.415 -8.189 1.00 13.32 H new ATOM 164 N LEU A 12 -0.997 8.796 -4.636 1.00 11.31 N ATOM 165 CA LEU A 12 -1.857 9.239 -3.567 1.00 55.31 C ATOM 166 C LEU A 12 -1.086 10.187 -2.768 1.00 32.24 C ATOM 167 O LEU A 12 0.081 9.972 -2.501 1.00 42.13 O ATOM 168 CB LEU A 12 -2.291 8.137 -2.590 1.00 42.51 C ATOM 169 CG LEU A 12 -3.306 7.180 -3.170 1.00 40.15 C ATOM 170 CD1 LEU A 12 -2.713 5.786 -3.388 1.00 3.33 C ATOM 171 CD2 LEU A 12 -4.590 7.188 -2.339 1.00 24.55 C ATOM 0 H LEU A 12 -0.058 8.521 -4.346 1.00 11.31 H new ATOM 0 HA LEU A 12 -2.755 9.640 -4.038 1.00 55.31 H new ATOM 0 HB2 LEU A 12 -1.412 7.575 -2.276 1.00 42.51 H new ATOM 0 HB3 LEU A 12 -2.709 8.600 -1.696 1.00 42.51 H new ATOM 0 HG LEU A 12 -3.585 7.525 -4.166 1.00 40.15 H new ATOM 0 HD11 LEU A 12 -3.475 5.128 -3.806 1.00 3.33 H new ATOM 0 HD12 LEU A 12 -1.872 5.852 -4.078 1.00 3.33 H new ATOM 0 HD13 LEU A 12 -2.369 5.384 -2.435 1.00 3.33 H new ATOM 0 HD21 LEU A 12 -5.308 6.493 -2.773 1.00 24.55 H new ATOM 0 HD22 LEU A 12 -4.364 6.885 -1.317 1.00 24.55 H new ATOM 0 HD23 LEU A 12 -5.014 8.192 -2.335 1.00 24.55 H new ATOM 183 N ALA A 13 -1.738 11.248 -2.333 1.00 23.50 N ATOM 184 CA ALA A 13 -1.108 12.177 -1.441 1.00 4.15 C ATOM 185 C ALA A 13 -1.276 11.599 -0.072 1.00 45.52 C ATOM 186 O ALA A 13 -2.308 11.038 0.233 1.00 62.12 O ATOM 187 CB ALA A 13 -1.747 13.577 -1.449 1.00 22.23 C ATOM 0 H ALA A 13 -2.699 11.480 -2.586 1.00 23.50 H new ATOM 0 HA ALA A 13 -0.071 12.311 -1.750 1.00 4.15 H new ATOM 0 HB1 ALA A 13 -1.216 14.223 -0.750 1.00 22.23 H new ATOM 0 HB2 ALA A 13 -1.685 13.999 -2.452 1.00 22.23 H new ATOM 0 HB3 ALA A 13 -2.793 13.501 -1.151 1.00 22.23 H new ATOM 193 N LYS A 14 -0.241 11.716 0.782 1.00 32.41 N ATOM 194 CA LYS A 14 -0.355 11.248 2.174 1.00 3.34 C ATOM 195 C LYS A 14 -1.326 12.159 2.885 1.00 63.41 C ATOM 196 O LYS A 14 -2.021 11.736 3.799 1.00 42.01 O ATOM 197 CB LYS A 14 0.994 11.262 2.936 1.00 73.00 C ATOM 198 CG LYS A 14 1.956 10.169 2.441 1.00 33.43 C ATOM 199 CD LYS A 14 3.391 10.254 2.996 1.00 60.13 C ATOM 200 CE LYS A 14 4.224 11.364 2.326 1.00 11.45 C ATOM 201 NZ LYS A 14 5.650 11.298 2.728 1.00 11.11 N ATOM 0 H LYS A 14 0.663 12.121 0.539 1.00 32.41 H new ATOM 0 HA LYS A 14 -0.694 10.212 2.154 1.00 3.34 H new ATOM 0 HB2 LYS A 14 1.465 12.238 2.818 1.00 73.00 H new ATOM 0 HB3 LYS A 14 0.808 11.124 4.001 1.00 73.00 H new ATOM 0 HG2 LYS A 14 1.540 9.196 2.703 1.00 33.43 H new ATOM 0 HG3 LYS A 14 2.002 10.214 1.353 1.00 33.43 H new ATOM 0 HD2 LYS A 14 3.350 10.434 4.070 1.00 60.13 H new ATOM 0 HD3 LYS A 14 3.889 9.295 2.852 1.00 60.13 H new ATOM 0 HE2 LYS A 14 4.147 11.273 1.243 1.00 11.45 H new ATOM 0 HE3 LYS A 14 3.815 12.338 2.594 1.00 11.45 H new ATOM 0 HZ1 LYS A 14 6.249 11.594 1.931 1.00 11.11 H new ATOM 0 HZ2 LYS A 14 5.812 11.931 3.537 1.00 11.11 H new ATOM 0 HZ3 LYS A 14 5.890 10.323 2.998 1.00 11.11 H new ATOM 215 N ASN A 15 -1.395 13.419 2.404 1.00 20.51 N ATOM 216 CA ASN A 15 -2.310 14.442 2.892 1.00 63.10 C ATOM 217 C ASN A 15 -1.652 15.111 4.044 1.00 63.32 C ATOM 218 O ASN A 15 -1.730 14.647 5.191 1.00 21.22 O ATOM 219 CB ASN A 15 -3.754 13.980 3.284 1.00 72.34 C ATOM 220 CG ASN A 15 -4.636 15.215 3.468 1.00 60.44 C ATOM 221 OD1 ASN A 15 -5.183 15.748 2.489 1.00 60.43 O ATOM 222 ND2 ASN A 15 -4.780 15.686 4.720 1.00 52.24 N ATOM 0 H ASN A 15 -0.796 13.749 1.647 1.00 20.51 H new ATOM 0 HA ASN A 15 -2.492 15.109 2.050 1.00 63.10 H new ATOM 0 HB2 ASN A 15 -4.167 13.334 2.509 1.00 72.34 H new ATOM 0 HB3 ASN A 15 -3.726 13.396 4.204 1.00 72.34 H new ATOM 0 HD21 ASN A 15 -5.356 16.510 4.892 1.00 52.24 H new ATOM 0 HD22 ASN A 15 -4.313 15.219 5.497 1.00 52.24 H new ATOM 229 N ASP A 16 -0.949 16.233 3.746 1.00 52.45 N ATOM 230 CA ASP A 16 -0.203 16.985 4.751 1.00 35.55 C ATOM 231 C ASP A 16 0.855 16.070 5.320 1.00 1.12 C ATOM 232 O ASP A 16 1.046 15.962 6.540 1.00 51.33 O ATOM 233 CB ASP A 16 -1.079 17.610 5.872 1.00 25.34 C ATOM 234 CG ASP A 16 -0.252 18.600 6.649 1.00 2.24 C ATOM 235 OD1 ASP A 16 0.418 19.441 6.016 1.00 34.30 O ATOM 236 OD2 ASP A 16 -0.289 18.563 7.897 1.00 42.32 O ATOM 0 H ASP A 16 -0.892 16.628 2.807 1.00 52.45 H new ATOM 0 HA ASP A 16 0.246 17.848 4.259 1.00 35.55 H new ATOM 0 HB2 ASP A 16 -1.948 18.104 5.438 1.00 25.34 H new ATOM 0 HB3 ASP A 16 -1.454 16.830 6.535 1.00 25.34 H new ATOM 241 N ASN A 17 1.566 15.406 4.365 1.00 50.34 N ATOM 242 CA ASN A 17 2.644 14.397 4.571 1.00 62.44 C ATOM 243 C ASN A 17 2.342 13.316 5.614 1.00 40.15 C ATOM 244 O ASN A 17 3.184 12.455 5.843 1.00 14.12 O ATOM 245 CB ASN A 17 4.025 15.017 4.901 1.00 10.12 C ATOM 246 CG ASN A 17 4.421 15.940 3.757 1.00 42.34 C ATOM 247 OD1 ASN A 17 4.779 15.479 2.671 1.00 30.31 O ATOM 248 ND2 ASN A 17 4.358 17.267 3.981 1.00 21.15 N ATOM 0 H ASN A 17 1.391 15.571 3.374 1.00 50.34 H new ATOM 0 HA ASN A 17 2.681 13.916 3.593 1.00 62.44 H new ATOM 0 HB2 ASN A 17 3.978 15.572 5.838 1.00 10.12 H new ATOM 0 HB3 ASN A 17 4.771 14.233 5.032 1.00 10.12 H new ATOM 0 HD21 ASN A 17 4.611 17.922 3.241 1.00 21.15 H new ATOM 0 HD22 ASN A 17 4.058 17.617 4.891 1.00 21.15 H new ATOM 255 N SER A 18 1.177 13.327 6.265 1.00 51.31 N ATOM 256 CA SER A 18 0.945 12.434 7.357 1.00 44.53 C ATOM 257 C SER A 18 0.042 11.348 6.881 1.00 52.11 C ATOM 258 O SER A 18 -1.105 11.592 6.529 1.00 62.31 O ATOM 259 CB SER A 18 0.289 13.142 8.553 1.00 61.02 C ATOM 260 OG SER A 18 1.107 14.260 8.959 1.00 43.34 O ATOM 0 H SER A 18 0.397 13.946 6.043 1.00 51.31 H new ATOM 0 HA SER A 18 1.904 12.041 7.693 1.00 44.53 H new ATOM 0 HB2 SER A 18 -0.709 13.487 8.282 1.00 61.02 H new ATOM 0 HB3 SER A 18 0.171 12.444 9.382 1.00 61.02 H new ATOM 0 HG SER A 18 1.126 14.928 8.243 1.00 43.34 H new ATOM 266 N LEU A 19 0.565 10.111 6.861 1.00 45.13 N ATOM 267 CA LEU A 19 -0.198 8.959 6.463 1.00 24.41 C ATOM 268 C LEU A 19 -0.853 8.425 7.718 1.00 43.34 C ATOM 269 O LEU A 19 -1.060 9.167 8.682 1.00 64.21 O ATOM 270 CB LEU A 19 0.660 7.829 5.774 1.00 34.10 C ATOM 271 CG LEU A 19 1.827 7.186 6.625 1.00 21.22 C ATOM 272 CD1 LEU A 19 2.426 5.953 5.917 1.00 71.01 C ATOM 273 CD2 LEU A 19 2.933 8.184 7.059 1.00 55.53 C ATOM 0 H LEU A 19 1.528 9.902 7.123 1.00 45.13 H new ATOM 0 HA LEU A 19 -0.923 9.262 5.707 1.00 24.41 H new ATOM 0 HB2 LEU A 19 -0.016 7.030 5.470 1.00 34.10 H new ATOM 0 HB3 LEU A 19 1.094 8.243 4.864 1.00 34.10 H new ATOM 0 HG LEU A 19 1.357 6.862 7.554 1.00 21.22 H new ATOM 0 HD11 LEU A 19 3.226 5.535 6.529 1.00 71.01 H new ATOM 0 HD12 LEU A 19 1.649 5.202 5.774 1.00 71.01 H new ATOM 0 HD13 LEU A 19 2.828 6.249 4.948 1.00 71.01 H new ATOM 0 HD21 LEU A 19 3.692 7.657 7.638 1.00 55.53 H new ATOM 0 HD22 LEU A 19 3.392 8.625 6.174 1.00 55.53 H new ATOM 0 HD23 LEU A 19 2.493 8.972 7.670 1.00 55.53 H new ATOM 285 N GLY A 20 -1.192 7.127 7.748 1.00 70.03 N ATOM 286 CA GLY A 20 -1.804 6.559 8.927 1.00 71.30 C ATOM 287 C GLY A 20 -2.726 5.506 8.449 1.00 35.51 C ATOM 288 O GLY A 20 -3.911 5.532 8.739 1.00 4.04 O ATOM 0 H GLY A 20 -1.050 6.473 6.978 1.00 70.03 H new ATOM 0 HA2 GLY A 20 -1.050 6.142 9.594 1.00 71.30 H new ATOM 0 HA3 GLY A 20 -2.342 7.321 9.491 1.00 71.30 H new ATOM 292 N ILE A 21 -2.186 4.557 7.675 1.00 13.51 N ATOM 293 CA ILE A 21 -2.962 3.467 7.128 1.00 20.44 C ATOM 294 C ILE A 21 -2.518 2.277 7.959 1.00 72.12 C ATOM 295 O ILE A 21 -1.658 2.443 8.821 1.00 24.04 O ATOM 296 CB ILE A 21 -2.677 3.209 5.628 1.00 1.43 C ATOM 297 CG1 ILE A 21 -2.333 4.537 4.879 1.00 45.54 C ATOM 298 CG2 ILE A 21 -3.899 2.491 4.993 1.00 72.42 C ATOM 299 CD1 ILE A 21 -3.490 5.551 4.824 1.00 14.25 C ATOM 0 H ILE A 21 -1.199 4.534 7.418 1.00 13.51 H new ATOM 0 HA ILE A 21 -4.031 3.674 7.173 1.00 20.44 H new ATOM 0 HB ILE A 21 -1.803 2.564 5.534 1.00 1.43 H new ATOM 0 HG12 ILE A 21 -1.478 5.005 5.367 1.00 45.54 H new ATOM 0 HG13 ILE A 21 -2.027 4.297 3.861 1.00 45.54 H new ATOM 0 HG21 ILE A 21 -3.704 2.307 3.937 1.00 72.42 H new ATOM 0 HG22 ILE A 21 -4.068 1.542 5.502 1.00 72.42 H new ATOM 0 HG23 ILE A 21 -4.784 3.120 5.094 1.00 72.42 H new ATOM 0 HD11 ILE A 21 -3.167 6.443 4.287 1.00 14.25 H new ATOM 0 HD12 ILE A 21 -4.340 5.105 4.308 1.00 14.25 H new ATOM 0 HD13 ILE A 21 -3.783 5.824 5.838 1.00 14.25 H new ATOM 311 N CYS A 22 -3.081 1.070 7.743 1.00 75.20 N ATOM 312 CA CYS A 22 -2.578 -0.076 8.508 1.00 14.04 C ATOM 313 C CYS A 22 -2.383 -1.160 7.504 1.00 23.35 C ATOM 314 O CYS A 22 -2.813 -1.041 6.358 1.00 13.54 O ATOM 315 CB CYS A 22 -3.623 -0.629 9.527 1.00 33.34 C ATOM 316 SG CYS A 22 -4.288 0.642 10.663 1.00 51.51 S ATOM 0 H CYS A 22 -3.837 0.874 7.087 1.00 75.20 H new ATOM 0 HA CYS A 22 -1.686 0.228 9.057 1.00 14.04 H new ATOM 0 HB2 CYS A 22 -4.449 -1.080 8.978 1.00 33.34 H new ATOM 0 HB3 CYS A 22 -3.160 -1.422 10.114 1.00 33.34 H new ATOM 0 HG CYS A 22 -5.148 0.095 11.470 1.00 51.51 H new ATOM 321 N VAL A 23 -1.619 -2.196 7.891 1.00 44.32 N ATOM 322 CA VAL A 23 -1.217 -3.207 6.959 1.00 25.34 C ATOM 323 C VAL A 23 -1.087 -4.480 7.731 1.00 54.54 C ATOM 324 O VAL A 23 -1.228 -4.495 8.959 1.00 64.31 O ATOM 325 CB VAL A 23 0.131 -2.920 6.287 1.00 35.34 C ATOM 326 CG1 VAL A 23 -0.079 -1.841 5.195 1.00 32.30 C ATOM 327 CG2 VAL A 23 1.175 -2.524 7.365 1.00 60.53 C ATOM 0 H VAL A 23 -1.280 -2.335 8.843 1.00 44.32 H new ATOM 0 HA VAL A 23 -1.963 -3.252 6.166 1.00 25.34 H new ATOM 0 HB VAL A 23 0.527 -3.806 5.791 1.00 35.34 H new ATOM 0 HG11 VAL A 23 0.872 -1.626 4.708 1.00 32.30 H new ATOM 0 HG12 VAL A 23 -0.791 -2.206 4.455 1.00 32.30 H new ATOM 0 HG13 VAL A 23 -0.466 -0.931 5.653 1.00 32.30 H new ATOM 0 HG21 VAL A 23 2.133 -2.320 6.886 1.00 60.53 H new ATOM 0 HG22 VAL A 23 0.835 -1.632 7.891 1.00 60.53 H new ATOM 0 HG23 VAL A 23 1.292 -3.342 8.076 1.00 60.53 H new ATOM 337 N THR A 24 -0.800 -5.570 7.017 1.00 73.23 N ATOM 338 CA THR A 24 -0.532 -6.821 7.635 1.00 45.24 C ATOM 339 C THR A 24 0.119 -7.654 6.555 1.00 13.22 C ATOM 340 O THR A 24 0.099 -7.271 5.386 1.00 61.41 O ATOM 341 CB THR A 24 -1.776 -7.520 8.220 1.00 71.14 C ATOM 342 OG1 THR A 24 -1.445 -8.765 8.851 1.00 21.23 O ATOM 343 CG2 THR A 24 -2.815 -7.728 7.104 1.00 13.44 C ATOM 0 H THR A 24 -0.753 -5.586 5.998 1.00 73.23 H new ATOM 0 HA THR A 24 0.107 -6.681 8.507 1.00 45.24 H new ATOM 0 HB THR A 24 -2.198 -6.879 8.994 1.00 71.14 H new ATOM 0 HG1 THR A 24 -2.259 -9.176 9.210 1.00 21.23 H new ATOM 0 HG21 THR A 24 -3.696 -8.222 7.514 1.00 13.44 H new ATOM 0 HG22 THR A 24 -3.101 -6.762 6.689 1.00 13.44 H new ATOM 0 HG23 THR A 24 -2.385 -8.348 6.317 1.00 13.44 H new ATOM 351 N GLY A 25 0.720 -8.796 6.943 1.00 64.24 N ATOM 352 CA GLY A 25 1.413 -9.656 6.002 1.00 54.41 C ATOM 353 C GLY A 25 2.790 -9.125 5.803 1.00 51.12 C ATOM 354 O GLY A 25 3.400 -8.580 6.727 1.00 52.14 O ATOM 0 H GLY A 25 0.732 -9.132 7.906 1.00 64.24 H new ATOM 0 HA2 GLY A 25 1.452 -10.678 6.380 1.00 54.41 H new ATOM 0 HA3 GLY A 25 0.878 -9.688 5.053 1.00 54.41 H new ATOM 358 N GLY A 26 3.312 -9.267 4.565 1.00 25.30 N ATOM 359 CA GLY A 26 4.590 -8.697 4.228 1.00 63.34 C ATOM 360 C GLY A 26 5.582 -9.790 4.105 1.00 11.35 C ATOM 361 O GLY A 26 6.007 -10.141 3.002 1.00 45.14 O ATOM 0 H GLY A 26 2.856 -9.770 3.804 1.00 25.30 H new ATOM 0 HA2 GLY A 26 4.521 -8.143 3.292 1.00 63.34 H new ATOM 0 HA3 GLY A 26 4.902 -7.989 4.996 1.00 63.34 H new ATOM 365 N VAL A 27 6.004 -10.354 5.253 1.00 14.23 N ATOM 366 CA VAL A 27 7.102 -11.325 5.289 1.00 51.13 C ATOM 367 C VAL A 27 6.583 -12.704 4.879 1.00 23.34 C ATOM 368 O VAL A 27 7.228 -13.723 5.115 1.00 21.41 O ATOM 369 CB VAL A 27 7.762 -11.410 6.658 1.00 73.22 C ATOM 370 CG1 VAL A 27 9.231 -11.844 6.459 1.00 23.14 C ATOM 371 CG2 VAL A 27 7.647 -10.038 7.325 1.00 24.22 C ATOM 0 H VAL A 27 5.597 -10.150 6.166 1.00 14.23 H new ATOM 0 HA VAL A 27 7.861 -10.983 4.586 1.00 51.13 H new ATOM 0 HB VAL A 27 7.279 -12.143 7.304 1.00 73.22 H new ATOM 0 HG11 VAL A 27 9.725 -11.912 7.428 1.00 23.14 H new ATOM 0 HG12 VAL A 27 9.260 -12.817 5.968 1.00 23.14 H new ATOM 0 HG13 VAL A 27 9.747 -11.110 5.840 1.00 23.14 H new ATOM 0 HG21 VAL A 27 8.113 -10.072 8.310 1.00 24.22 H new ATOM 0 HG22 VAL A 27 8.150 -9.291 6.711 1.00 24.22 H new ATOM 0 HG23 VAL A 27 6.595 -9.772 7.431 1.00 24.22 H new ATOM 381 N ASN A 28 5.391 -12.720 4.272 1.00 61.11 N ATOM 382 CA ASN A 28 4.703 -13.945 3.772 1.00 73.31 C ATOM 383 C ASN A 28 3.953 -14.560 4.923 1.00 62.14 C ATOM 384 O ASN A 28 3.330 -15.612 4.792 1.00 64.51 O ATOM 385 CB ASN A 28 5.625 -15.023 3.075 1.00 41.30 C ATOM 386 CG ASN A 28 4.756 -16.126 2.435 1.00 64.44 C ATOM 387 OD1 ASN A 28 3.991 -15.876 1.490 1.00 15.13 O ATOM 388 ND2 ASN A 28 4.868 -17.371 2.946 1.00 23.31 N ATOM 0 H ASN A 28 4.855 -11.869 4.104 1.00 61.11 H new ATOM 0 HA ASN A 28 4.039 -13.618 2.972 1.00 73.31 H new ATOM 0 HB2 ASN A 28 6.243 -14.547 2.313 1.00 41.30 H new ATOM 0 HB3 ASN A 28 6.303 -15.462 3.807 1.00 41.30 H new ATOM 0 HD21 ASN A 28 4.316 -18.134 2.555 1.00 23.31 H new ATOM 0 HD22 ASN A 28 5.505 -17.548 3.723 1.00 23.31 H new ATOM 395 N THR A 29 3.965 -13.858 6.065 1.00 73.21 N ATOM 396 CA THR A 29 3.124 -14.140 7.212 1.00 23.40 C ATOM 397 C THR A 29 1.610 -14.204 6.835 1.00 25.44 C ATOM 398 O THR A 29 1.254 -14.292 5.677 1.00 53.04 O ATOM 399 CB THR A 29 3.395 -13.167 8.345 1.00 54.22 C ATOM 400 OG1 THR A 29 3.361 -11.817 7.867 1.00 41.41 O ATOM 401 CG2 THR A 29 4.820 -13.468 8.868 1.00 43.43 C ATOM 0 H THR A 29 4.581 -13.058 6.209 1.00 73.21 H new ATOM 0 HA THR A 29 3.388 -15.135 7.570 1.00 23.40 H new ATOM 0 HB THR A 29 2.641 -13.279 9.124 1.00 54.22 H new ATOM 0 HG1 THR A 29 3.536 -11.202 8.610 1.00 41.41 H new ATOM 0 HG21 THR A 29 5.058 -12.789 9.687 1.00 43.43 H new ATOM 0 HG22 THR A 29 4.867 -14.497 9.224 1.00 43.43 H new ATOM 0 HG23 THR A 29 5.540 -13.330 8.062 1.00 43.43 H new ATOM 409 N SER A 30 0.740 -14.268 7.888 1.00 31.22 N ATOM 410 CA SER A 30 -0.662 -14.755 7.856 1.00 13.51 C ATOM 411 C SER A 30 -1.405 -14.572 6.528 1.00 3.33 C ATOM 412 O SER A 30 -2.085 -15.505 6.069 1.00 52.14 O ATOM 413 CB SER A 30 -1.503 -14.073 8.954 1.00 2.12 C ATOM 414 OG SER A 30 -0.784 -14.066 10.201 1.00 12.42 O ATOM 0 H SER A 30 1.017 -13.966 8.822 1.00 31.22 H new ATOM 0 HA SER A 30 -0.559 -15.828 8.016 1.00 13.51 H new ATOM 0 HB2 SER A 30 -1.741 -13.051 8.658 1.00 2.12 H new ATOM 0 HB3 SER A 30 -2.450 -14.598 9.075 1.00 2.12 H new ATOM 0 HG SER A 30 -1.327 -13.629 10.890 1.00 12.42 H new ATOM 420 N VAL A 31 -1.314 -13.380 5.896 1.00 4.22 N ATOM 421 CA VAL A 31 -2.081 -13.133 4.681 1.00 5.33 C ATOM 422 C VAL A 31 -1.643 -14.102 3.581 1.00 75.22 C ATOM 423 O VAL A 31 -0.469 -14.254 3.281 1.00 32.00 O ATOM 424 CB VAL A 31 -2.072 -11.716 4.184 1.00 72.14 C ATOM 425 CG1 VAL A 31 -2.695 -10.834 5.277 1.00 15.24 C ATOM 426 CG2 VAL A 31 -0.642 -11.312 3.825 1.00 43.44 C ATOM 0 H VAL A 31 -0.731 -12.602 6.205 1.00 4.22 H new ATOM 0 HA VAL A 31 -3.120 -13.312 4.956 1.00 5.33 H new ATOM 0 HB VAL A 31 -2.662 -11.597 3.275 1.00 72.14 H new ATOM 0 HG11 VAL A 31 -2.703 -9.796 4.946 1.00 15.24 H new ATOM 0 HG12 VAL A 31 -3.717 -11.161 5.470 1.00 15.24 H new ATOM 0 HG13 VAL A 31 -2.108 -10.919 6.191 1.00 15.24 H new ATOM 0 HG21 VAL A 31 -0.634 -10.284 3.464 1.00 43.44 H new ATOM 0 HG22 VAL A 31 -0.009 -11.391 4.709 1.00 43.44 H new ATOM 0 HG23 VAL A 31 -0.262 -11.973 3.046 1.00 43.44 H new ATOM 436 N ARG A 32 -2.639 -14.815 3.037 1.00 21.33 N ATOM 437 CA ARG A 32 -2.424 -15.947 2.147 1.00 14.12 C ATOM 438 C ARG A 32 -1.503 -15.613 0.971 1.00 30.11 C ATOM 439 O ARG A 32 -0.624 -16.404 0.644 1.00 31.32 O ATOM 440 CB ARG A 32 -3.731 -16.586 1.635 1.00 33.42 C ATOM 441 CG ARG A 32 -4.599 -15.669 0.777 1.00 44.04 C ATOM 442 CD ARG A 32 -5.894 -16.342 0.322 1.00 25.44 C ATOM 443 NE ARG A 32 -6.804 -16.506 1.515 1.00 24.33 N ATOM 444 CZ ARG A 32 -7.674 -15.503 1.923 1.00 53.10 C ATOM 445 NH1 ARG A 32 -7.652 -14.278 1.324 1.00 63.15 N ATOM 446 NH2 ARG A 32 -8.559 -15.740 2.926 1.00 4.33 N ATOM 0 H ARG A 32 -3.624 -14.614 3.209 1.00 21.33 H new ATOM 0 HA ARG A 32 -1.923 -16.688 2.770 1.00 14.12 H new ATOM 0 HB2 ARG A 32 -3.482 -17.474 1.055 1.00 33.42 H new ATOM 0 HB3 ARG A 32 -4.316 -16.919 2.492 1.00 33.42 H new ATOM 0 HG2 ARG A 32 -4.841 -14.769 1.343 1.00 44.04 H new ATOM 0 HG3 ARG A 32 -4.032 -15.352 -0.098 1.00 44.04 H new ATOM 0 HD2 ARG A 32 -6.382 -15.741 -0.445 1.00 25.44 H new ATOM 0 HD3 ARG A 32 -5.678 -17.313 -0.124 1.00 25.44 H new ATOM 0 HE ARG A 32 -6.779 -17.381 2.038 1.00 24.33 H new ATOM 0 HH11 ARG A 32 -6.992 -14.091 0.569 1.00 63.15 H new ATOM 0 HH12 ARG A 32 -8.295 -13.548 1.631 1.00 63.15 H new ATOM 0 HH21 ARG A 32 -8.584 -16.654 3.379 1.00 4.33 H new ATOM 0 HH22 ARG A 32 -9.198 -15.004 3.226 1.00 4.33 H new ATOM 460 N HIS A 33 -1.678 -14.437 0.290 1.00 2.52 N ATOM 461 CA HIS A 33 -0.849 -14.174 -0.901 1.00 34.23 C ATOM 462 C HIS A 33 0.545 -13.799 -0.449 1.00 3.12 C ATOM 463 O HIS A 33 1.497 -13.968 -1.188 1.00 41.22 O ATOM 464 CB HIS A 33 -1.382 -13.049 -1.840 1.00 2.02 C ATOM 465 CG HIS A 33 -0.541 -12.863 -3.100 1.00 14.33 C ATOM 466 ND1 HIS A 33 -0.624 -11.748 -3.899 1.00 73.51 N ATOM 467 CD2 HIS A 33 0.378 -13.675 -3.659 1.00 44.51 C ATOM 468 CE1 HIS A 33 0.235 -11.887 -4.900 1.00 41.24 C ATOM 469 NE2 HIS A 33 0.853 -13.049 -4.766 1.00 72.33 N ATOM 0 H HIS A 33 -2.346 -13.706 0.535 1.00 2.52 H new ATOM 0 HA HIS A 33 -0.869 -15.093 -1.487 1.00 34.23 H new ATOM 0 HB2 HIS A 33 -2.407 -13.281 -2.127 1.00 2.02 H new ATOM 0 HB3 HIS A 33 -1.411 -12.109 -1.289 1.00 2.02 H new ATOM 0 HD2 HIS A 33 0.681 -14.645 -3.294 1.00 44.51 H new ATOM 0 HE1 HIS A 33 0.402 -11.172 -5.692 1.00 41.24 H new ATOM 0 HE2 HIS A 33 1.570 -13.415 -5.393 1.00 72.33 H new ATOM 478 N GLY A 34 0.702 -13.343 0.807 1.00 54.31 N ATOM 479 CA GLY A 34 2.026 -13.138 1.357 1.00 24.25 C ATOM 480 C GLY A 34 2.412 -11.695 1.232 1.00 13.43 C ATOM 481 O GLY A 34 3.359 -11.251 1.867 1.00 62.41 O ATOM 0 H GLY A 34 -0.066 -13.117 1.440 1.00 54.31 H new ATOM 0 HA2 GLY A 34 2.045 -13.439 2.404 1.00 24.25 H new ATOM 0 HA3 GLY A 34 2.748 -13.764 0.832 1.00 24.25 H new ATOM 485 N GLY A 35 1.682 -10.929 0.409 1.00 51.05 N ATOM 486 CA GLY A 35 2.002 -9.520 0.170 1.00 71.31 C ATOM 487 C GLY A 35 1.588 -8.726 1.373 1.00 43.32 C ATOM 488 O GLY A 35 1.066 -9.269 2.333 1.00 23.54 O ATOM 0 H GLY A 35 0.865 -11.265 -0.102 1.00 51.05 H new ATOM 0 HA2 GLY A 35 3.070 -9.400 -0.014 1.00 71.31 H new ATOM 0 HA3 GLY A 35 1.483 -9.159 -0.718 1.00 71.31 H new ATOM 492 N ILE A 36 1.810 -7.395 1.332 1.00 44.10 N ATOM 493 CA ILE A 36 1.296 -6.524 2.331 1.00 42.42 C ATOM 494 C ILE A 36 -0.092 -6.258 1.905 1.00 2.23 C ATOM 495 O ILE A 36 -0.321 -5.901 0.761 1.00 50.04 O ATOM 496 CB ILE A 36 2.068 -5.202 2.387 1.00 74.44 C ATOM 497 CG1 ILE A 36 3.319 -5.415 3.197 1.00 24.21 C ATOM 498 CG2 ILE A 36 1.185 -4.064 2.953 1.00 21.41 C ATOM 499 CD1 ILE A 36 3.019 -5.649 4.649 1.00 70.10 C ATOM 0 H ILE A 36 2.348 -6.929 0.602 1.00 44.10 H new ATOM 0 HA ILE A 36 1.374 -6.971 3.322 1.00 42.42 H new ATOM 0 HB ILE A 36 2.350 -4.890 1.382 1.00 74.44 H new ATOM 0 HG12 ILE A 36 3.867 -6.269 2.799 1.00 24.21 H new ATOM 0 HG13 ILE A 36 3.968 -4.545 3.097 1.00 24.21 H new ATOM 0 HG21 ILE A 36 1.759 -3.138 2.981 1.00 21.41 H new ATOM 0 HG22 ILE A 36 0.311 -3.930 2.315 1.00 21.41 H new ATOM 0 HG23 ILE A 36 0.862 -4.321 3.962 1.00 21.41 H new ATOM 0 HD11 ILE A 36 3.951 -5.798 5.194 1.00 70.10 H new ATOM 0 HD12 ILE A 36 2.495 -4.784 5.056 1.00 70.10 H new ATOM 0 HD13 ILE A 36 2.393 -6.535 4.753 1.00 70.10 H new ATOM 511 N TYR A 37 -1.060 -6.461 2.806 1.00 0.04 N ATOM 512 CA TYR A 37 -2.458 -6.202 2.465 1.00 24.13 C ATOM 513 C TYR A 37 -2.793 -4.954 3.189 1.00 30.01 C ATOM 514 O TYR A 37 -2.242 -4.698 4.266 1.00 1.44 O ATOM 515 CB TYR A 37 -3.480 -7.266 3.027 1.00 74.03 C ATOM 516 CG TYR A 37 -3.557 -8.516 2.168 1.00 64.25 C ATOM 517 CD1 TYR A 37 -2.401 -9.144 1.638 1.00 43.14 C ATOM 518 CD2 TYR A 37 -4.827 -9.112 1.912 1.00 53.20 C ATOM 519 CE1 TYR A 37 -2.513 -10.316 0.872 1.00 23.33 C ATOM 520 CE2 TYR A 37 -4.936 -10.286 1.146 1.00 72.10 C ATOM 521 CZ TYR A 37 -3.786 -10.889 0.623 1.00 72.22 C ATOM 522 OH TYR A 37 -3.895 -12.060 -0.167 1.00 34.34 O ATOM 0 H TYR A 37 -0.904 -6.797 3.756 1.00 0.04 H new ATOM 0 HA TYR A 37 -2.541 -6.193 1.378 1.00 24.13 H new ATOM 0 HB2 TYR A 37 -3.189 -7.544 4.040 1.00 74.03 H new ATOM 0 HB3 TYR A 37 -4.470 -6.814 3.093 1.00 74.03 H new ATOM 0 HD1 TYR A 37 -1.427 -8.718 1.825 1.00 43.14 H new ATOM 0 HD2 TYR A 37 -5.719 -8.654 2.313 1.00 53.20 H new ATOM 0 HE1 TYR A 37 -1.626 -10.783 0.471 1.00 23.33 H new ATOM 0 HE2 TYR A 37 -5.906 -10.722 0.961 1.00 72.10 H new ATOM 0 HH TYR A 37 -4.837 -12.320 -0.238 1.00 34.34 H new ATOM 532 N VAL A 38 -3.756 -4.165 2.665 1.00 5.33 N ATOM 533 CA VAL A 38 -4.264 -3.068 3.423 1.00 2.42 C ATOM 534 C VAL A 38 -5.434 -3.642 4.198 1.00 10.13 C ATOM 535 O VAL A 38 -6.528 -3.847 3.674 1.00 31.12 O ATOM 536 CB VAL A 38 -4.758 -1.923 2.548 1.00 33.42 C ATOM 537 CG1 VAL A 38 -5.201 -0.771 3.455 1.00 64.10 C ATOM 538 CG2 VAL A 38 -3.609 -1.517 1.590 1.00 74.34 C ATOM 0 H VAL A 38 -4.170 -4.285 1.741 1.00 5.33 H new ATOM 0 HA VAL A 38 -3.480 -2.649 4.053 1.00 2.42 H new ATOM 0 HB VAL A 38 -5.616 -2.213 1.942 1.00 33.42 H new ATOM 0 HG11 VAL A 38 -5.558 0.057 2.843 1.00 64.10 H new ATOM 0 HG12 VAL A 38 -6.004 -1.111 4.109 1.00 64.10 H new ATOM 0 HG13 VAL A 38 -4.357 -0.438 4.059 1.00 64.10 H new ATOM 0 HG21 VAL A 38 -3.940 -0.697 0.952 1.00 74.34 H new ATOM 0 HG22 VAL A 38 -2.745 -1.198 2.173 1.00 74.34 H new ATOM 0 HG23 VAL A 38 -3.333 -2.370 0.970 1.00 74.34 H new ATOM 548 N LYS A 39 -5.170 -3.940 5.466 1.00 73.54 N ATOM 549 CA LYS A 39 -6.175 -4.568 6.319 1.00 53.14 C ATOM 550 C LYS A 39 -7.118 -3.565 6.891 1.00 43.12 C ATOM 551 O LYS A 39 -8.208 -3.926 7.324 1.00 52.11 O ATOM 552 CB LYS A 39 -5.593 -5.451 7.426 1.00 45.04 C ATOM 553 CG LYS A 39 -4.557 -4.789 8.349 1.00 70.23 C ATOM 554 CD LYS A 39 -5.111 -4.226 9.658 1.00 33.10 C ATOM 555 CE LYS A 39 -5.823 -5.290 10.533 1.00 4.24 C ATOM 556 NZ LYS A 39 -6.047 -4.789 11.896 1.00 3.22 N ATOM 0 H LYS A 39 -4.277 -3.759 5.924 1.00 73.54 H new ATOM 0 HA LYS A 39 -6.727 -5.235 5.657 1.00 53.14 H new ATOM 0 HB2 LYS A 39 -6.416 -5.816 8.041 1.00 45.04 H new ATOM 0 HB3 LYS A 39 -5.131 -6.322 6.962 1.00 45.04 H new ATOM 0 HG2 LYS A 39 -3.786 -5.522 8.586 1.00 70.23 H new ATOM 0 HG3 LYS A 39 -4.072 -3.981 7.802 1.00 70.23 H new ATOM 0 HD2 LYS A 39 -4.295 -3.784 10.229 1.00 33.10 H new ATOM 0 HD3 LYS A 39 -5.813 -3.424 9.432 1.00 33.10 H new ATOM 0 HE2 LYS A 39 -6.777 -5.559 10.080 1.00 4.24 H new ATOM 0 HE3 LYS A 39 -5.220 -6.198 10.570 1.00 4.24 H new ATOM 0 HZ1 LYS A 39 -6.525 -5.520 12.461 1.00 3.22 H new ATOM 0 HZ2 LYS A 39 -5.133 -4.555 12.334 1.00 3.22 H new ATOM 0 HZ3 LYS A 39 -6.642 -3.937 11.859 1.00 3.22 H new ATOM 570 N ALA A 40 -6.752 -2.294 6.886 1.00 35.31 N ATOM 571 CA ALA A 40 -7.674 -1.298 7.376 1.00 13.33 C ATOM 572 C ALA A 40 -7.300 -0.020 6.749 1.00 45.05 C ATOM 573 O ALA A 40 -6.117 0.247 6.535 1.00 14.31 O ATOM 574 CB ALA A 40 -7.657 -1.089 8.901 1.00 72.51 C ATOM 0 H ALA A 40 -5.853 -1.941 6.559 1.00 35.31 H new ATOM 0 HA ALA A 40 -8.676 -1.646 7.126 1.00 13.33 H new ATOM 0 HB1 ALA A 40 -8.383 -0.322 9.171 1.00 72.51 H new ATOM 0 HB2 ALA A 40 -7.914 -2.024 9.399 1.00 72.51 H new ATOM 0 HB3 ALA A 40 -6.662 -0.773 9.214 1.00 72.51 H new ATOM 580 N VAL A 41 -8.314 0.799 6.427 1.00 61.23 N ATOM 581 CA VAL A 41 -8.099 2.106 5.906 1.00 44.12 C ATOM 582 C VAL A 41 -8.907 2.985 6.815 1.00 22.01 C ATOM 583 O VAL A 41 -10.072 2.684 7.098 1.00 15.11 O ATOM 584 CB VAL A 41 -8.640 2.277 4.473 1.00 75.23 C ATOM 585 CG1 VAL A 41 -8.290 3.685 3.952 1.00 42.23 C ATOM 586 CG2 VAL A 41 -8.048 1.167 3.590 1.00 70.24 C ATOM 0 H VAL A 41 -9.297 0.548 6.531 1.00 61.23 H new ATOM 0 HA VAL A 41 -7.034 2.333 5.863 1.00 44.12 H new ATOM 0 HB VAL A 41 -9.726 2.187 4.454 1.00 75.23 H new ATOM 0 HG11 VAL A 41 -8.673 3.804 2.939 1.00 42.23 H new ATOM 0 HG12 VAL A 41 -8.741 4.436 4.601 1.00 42.23 H new ATOM 0 HG13 VAL A 41 -7.208 3.813 3.948 1.00 42.23 H new ATOM 0 HG21 VAL A 41 -8.422 1.274 2.572 1.00 70.24 H new ATOM 0 HG22 VAL A 41 -6.961 1.245 3.588 1.00 70.24 H new ATOM 0 HG23 VAL A 41 -8.341 0.194 3.984 1.00 70.24 H new ATOM 596 N ILE A 42 -8.317 4.090 7.310 1.00 21.33 N ATOM 597 CA ILE A 42 -9.058 5.018 8.145 1.00 33.12 C ATOM 598 C ILE A 42 -9.969 5.790 7.215 1.00 51.24 C ATOM 599 O ILE A 42 -9.638 6.008 6.041 1.00 32.04 O ATOM 600 CB ILE A 42 -8.188 5.976 8.991 1.00 52.34 C ATOM 601 CG1 ILE A 42 -7.517 7.117 8.164 1.00 10.04 C ATOM 602 CG2 ILE A 42 -7.182 5.115 9.781 1.00 60.24 C ATOM 603 CD1 ILE A 42 -6.629 6.626 7.037 1.00 73.21 C ATOM 0 H ILE A 42 -7.344 4.348 7.142 1.00 21.33 H new ATOM 0 HA ILE A 42 -9.607 4.447 8.893 1.00 33.12 H new ATOM 0 HB ILE A 42 -8.826 6.525 9.684 1.00 52.34 H new ATOM 0 HG12 ILE A 42 -8.296 7.755 7.747 1.00 10.04 H new ATOM 0 HG13 ILE A 42 -6.923 7.737 8.836 1.00 10.04 H new ATOM 0 HG21 ILE A 42 -6.550 5.761 10.391 1.00 60.24 H new ATOM 0 HG22 ILE A 42 -7.723 4.423 10.426 1.00 60.24 H new ATOM 0 HG23 ILE A 42 -6.560 4.551 9.085 1.00 60.24 H new ATOM 0 HD11 ILE A 42 -6.201 7.480 6.512 1.00 73.21 H new ATOM 0 HD12 ILE A 42 -5.826 6.013 7.447 1.00 73.21 H new ATOM 0 HD13 ILE A 42 -7.220 6.031 6.341 1.00 73.21 H new ATOM 615 N PRO A 43 -11.166 6.153 7.675 1.00 52.34 N ATOM 616 CA PRO A 43 -12.120 6.780 6.816 1.00 64.42 C ATOM 617 C PRO A 43 -11.672 8.160 6.620 1.00 4.32 C ATOM 618 O PRO A 43 -10.818 8.640 7.393 1.00 42.24 O ATOM 619 CB PRO A 43 -13.399 6.818 7.629 1.00 0.54 C ATOM 620 CG PRO A 43 -12.883 7.000 9.040 1.00 61.02 C ATOM 621 CD PRO A 43 -11.655 6.046 9.058 1.00 21.43 C ATOM 0 HA PRO A 43 -12.244 6.275 5.858 1.00 64.42 H new ATOM 0 HB2 PRO A 43 -14.049 7.639 7.325 1.00 0.54 H new ATOM 0 HB3 PRO A 43 -13.975 5.899 7.523 1.00 0.54 H new ATOM 0 HG2 PRO A 43 -12.600 8.033 9.241 1.00 61.02 H new ATOM 0 HG3 PRO A 43 -13.627 6.722 9.786 1.00 61.02 H new ATOM 0 HD2 PRO A 43 -10.904 6.361 9.782 1.00 21.43 H new ATOM 0 HD3 PRO A 43 -11.935 5.024 9.314 1.00 21.43 H new ATOM 629 N GLN A 44 -12.261 8.828 5.658 1.00 65.13 N ATOM 630 CA GLN A 44 -12.167 10.251 5.542 1.00 70.53 C ATOM 631 C GLN A 44 -10.749 10.674 5.156 1.00 14.22 C ATOM 632 O GLN A 44 -10.452 11.860 5.061 1.00 71.51 O ATOM 633 CB GLN A 44 -12.618 10.963 6.855 1.00 12.13 C ATOM 634 CG GLN A 44 -13.252 12.339 6.615 1.00 40.24 C ATOM 635 CD GLN A 44 -13.724 12.867 7.955 1.00 65.13 C ATOM 636 OE1 GLN A 44 -12.925 13.039 8.873 1.00 73.52 O ATOM 637 NE2 GLN A 44 -15.027 13.119 8.092 1.00 34.02 N ATOM 0 H GLN A 44 -12.823 8.388 4.929 1.00 65.13 H new ATOM 0 HA GLN A 44 -12.846 10.561 4.747 1.00 70.53 H new ATOM 0 HB2 GLN A 44 -13.334 10.328 7.377 1.00 12.13 H new ATOM 0 HB3 GLN A 44 -11.756 11.078 7.512 1.00 12.13 H new ATOM 0 HG2 GLN A 44 -12.529 13.021 6.168 1.00 40.24 H new ATOM 0 HG3 GLN A 44 -14.087 12.260 5.919 1.00 40.24 H new ATOM 0 HE21 GLN A 44 -15.661 12.965 7.308 1.00 34.02 H new ATOM 0 HE22 GLN A 44 -15.389 13.466 8.980 1.00 34.02 H new ATOM 646 N GLY A 45 -9.851 9.699 4.947 1.00 10.45 N ATOM 647 CA GLY A 45 -8.450 10.002 4.698 1.00 53.43 C ATOM 648 C GLY A 45 -8.232 10.046 3.238 1.00 13.13 C ATOM 649 O GLY A 45 -9.165 9.905 2.467 1.00 24.00 O ATOM 0 H GLY A 45 -10.076 8.704 4.947 1.00 10.45 H new ATOM 0 HA2 GLY A 45 -8.183 10.957 5.150 1.00 53.43 H new ATOM 0 HA3 GLY A 45 -7.812 9.245 5.154 1.00 53.43 H new ATOM 653 N ALA A 46 -6.949 10.231 2.827 1.00 13.05 N ATOM 654 CA ALA A 46 -6.595 10.355 1.420 1.00 30.23 C ATOM 655 C ALA A 46 -6.901 9.055 0.747 1.00 65.00 C ATOM 656 O ALA A 46 -7.606 9.014 -0.229 1.00 13.40 O ATOM 657 CB ALA A 46 -5.099 10.647 1.198 1.00 4.14 C ATOM 0 H ALA A 46 -6.155 10.295 3.464 1.00 13.05 H new ATOM 0 HA ALA A 46 -7.166 11.190 1.014 1.00 30.23 H new ATOM 0 HB1 ALA A 46 -4.899 10.728 0.130 1.00 4.14 H new ATOM 0 HB2 ALA A 46 -4.834 11.583 1.689 1.00 4.14 H new ATOM 0 HB3 ALA A 46 -4.504 9.836 1.618 1.00 4.14 H new ATOM 663 N ALA A 47 -6.369 7.953 1.319 1.00 34.11 N ATOM 664 CA ALA A 47 -6.536 6.610 0.737 1.00 52.31 C ATOM 665 C ALA A 47 -8.002 6.330 0.464 1.00 22.14 C ATOM 666 O ALA A 47 -8.363 5.942 -0.641 1.00 22.02 O ATOM 667 CB ALA A 47 -6.007 5.497 1.666 1.00 11.42 C ATOM 0 H ALA A 47 -5.823 7.970 2.180 1.00 34.11 H new ATOM 0 HA ALA A 47 -5.959 6.603 -0.188 1.00 52.31 H new ATOM 0 HB1 ALA A 47 -6.153 4.527 1.191 1.00 11.42 H new ATOM 0 HB2 ALA A 47 -4.944 5.653 1.853 1.00 11.42 H new ATOM 0 HB3 ALA A 47 -6.549 5.524 2.611 1.00 11.42 H new ATOM 673 N GLU A 48 -8.864 6.567 1.451 1.00 54.21 N ATOM 674 CA GLU A 48 -10.291 6.358 1.262 1.00 43.23 C ATOM 675 C GLU A 48 -10.857 7.389 0.275 1.00 64.35 C ATOM 676 O GLU A 48 -11.543 7.022 -0.676 1.00 24.34 O ATOM 677 CB GLU A 48 -11.103 6.441 2.580 1.00 51.22 C ATOM 678 CG GLU A 48 -12.607 6.578 2.338 1.00 63.24 C ATOM 679 CD GLU A 48 -13.343 6.330 3.603 1.00 51.20 C ATOM 680 OE1 GLU A 48 -13.349 5.170 4.081 1.00 61.13 O ATOM 681 OE2 GLU A 48 -13.931 7.293 4.130 1.00 34.24 O ATOM 0 H GLU A 48 -8.600 6.900 2.378 1.00 54.21 H new ATOM 0 HA GLU A 48 -10.394 5.346 0.869 1.00 43.23 H new ATOM 0 HB2 GLU A 48 -10.915 5.547 3.175 1.00 51.22 H new ATOM 0 HB3 GLU A 48 -10.754 7.292 3.164 1.00 51.22 H new ATOM 0 HG2 GLU A 48 -12.835 7.576 1.963 1.00 63.24 H new ATOM 0 HG3 GLU A 48 -12.928 5.869 1.574 1.00 63.24 H new ATOM 688 N SER A 49 -10.615 8.698 0.513 1.00 70.54 N ATOM 689 CA SER A 49 -11.302 9.760 -0.235 1.00 11.40 C ATOM 690 C SER A 49 -10.889 9.716 -1.696 1.00 32.23 C ATOM 691 O SER A 49 -11.703 9.960 -2.585 1.00 12.02 O ATOM 692 CB SER A 49 -11.016 11.193 0.332 1.00 40.54 C ATOM 693 OG SER A 49 -11.846 12.186 -0.301 1.00 64.41 O ATOM 0 H SER A 49 -9.954 9.036 1.212 1.00 70.54 H new ATOM 0 HA SER A 49 -12.370 9.572 -0.129 1.00 11.40 H new ATOM 0 HB2 SER A 49 -11.192 11.202 1.408 1.00 40.54 H new ATOM 0 HB3 SER A 49 -9.966 11.443 0.179 1.00 40.54 H new ATOM 0 HG SER A 49 -11.645 13.068 0.075 1.00 64.41 H new ATOM 699 N ASP A 50 -9.615 9.390 -1.977 1.00 14.32 N ATOM 700 CA ASP A 50 -9.145 9.402 -3.365 1.00 22.22 C ATOM 701 C ASP A 50 -9.580 8.097 -3.980 1.00 42.43 C ATOM 702 O ASP A 50 -9.820 8.006 -5.165 1.00 33.32 O ATOM 703 CB ASP A 50 -7.608 9.568 -3.529 1.00 25.43 C ATOM 704 CG ASP A 50 -7.320 10.096 -4.939 1.00 51.33 C ATOM 705 OD1 ASP A 50 -7.889 11.144 -5.317 1.00 1.54 O ATOM 706 OD2 ASP A 50 -6.512 9.506 -5.653 1.00 62.42 O ATOM 0 H ASP A 50 -8.916 9.124 -1.284 1.00 14.32 H new ATOM 0 HA ASP A 50 -9.576 10.274 -3.857 1.00 22.22 H new ATOM 0 HB2 ASP A 50 -7.220 10.259 -2.780 1.00 25.43 H new ATOM 0 HB3 ASP A 50 -7.106 8.613 -3.373 1.00 25.43 H new ATOM 711 N GLY A 51 -9.763 7.066 -3.125 1.00 74.42 N ATOM 712 CA GLY A 51 -10.431 5.837 -3.537 1.00 60.03 C ATOM 713 C GLY A 51 -9.528 5.002 -4.380 1.00 25.44 C ATOM 714 O GLY A 51 -9.992 4.133 -5.114 1.00 31.22 O ATOM 0 H GLY A 51 -9.455 7.072 -2.153 1.00 74.42 H new ATOM 0 HA2 GLY A 51 -10.740 5.273 -2.657 1.00 60.03 H new ATOM 0 HA3 GLY A 51 -11.336 6.079 -4.094 1.00 60.03 H new ATOM 718 N ARG A 52 -8.199 5.230 -4.304 1.00 41.35 N ATOM 719 CA ARG A 52 -7.263 4.439 -5.090 1.00 11.11 C ATOM 720 C ARG A 52 -6.923 3.217 -4.297 1.00 21.33 C ATOM 721 O ARG A 52 -6.102 2.416 -4.718 1.00 33.22 O ATOM 722 CB ARG A 52 -5.918 5.172 -5.313 1.00 1.32 C ATOM 723 CG ARG A 52 -6.050 6.559 -5.930 1.00 74.31 C ATOM 724 CD ARG A 52 -6.387 6.559 -7.423 1.00 54.30 C ATOM 725 NE ARG A 52 -6.643 7.982 -7.824 1.00 33.22 N ATOM 726 CZ ARG A 52 -6.899 8.323 -9.131 1.00 30.54 C ATOM 727 NH1 ARG A 52 -7.000 7.355 -10.079 1.00 22.21 N ATOM 728 NH2 ARG A 52 -7.060 9.625 -9.480 1.00 72.13 N ATOM 0 H ARG A 52 -7.769 5.943 -3.715 1.00 41.35 H new ATOM 0 HA ARG A 52 -7.733 4.231 -6.051 1.00 11.11 H new ATOM 0 HB2 ARG A 52 -5.404 5.261 -4.356 1.00 1.32 H new ATOM 0 HB3 ARG A 52 -5.287 4.560 -5.958 1.00 1.32 H new ATOM 0 HG2 ARG A 52 -6.825 7.109 -5.395 1.00 74.31 H new ATOM 0 HG3 ARG A 52 -5.115 7.100 -5.781 1.00 74.31 H new ATOM 0 HD2 ARG A 52 -5.565 6.139 -8.002 1.00 54.30 H new ATOM 0 HD3 ARG A 52 -7.263 5.941 -7.619 1.00 54.30 H new ATOM 0 HE ARG A 52 -6.627 8.712 -7.112 1.00 33.22 H new ATOM 0 HH11 ARG A 52 -6.886 6.375 -9.821 1.00 22.21 H new ATOM 0 HH12 ARG A 52 -7.190 7.609 -11.049 1.00 22.21 H new ATOM 0 HH21 ARG A 52 -6.991 10.355 -8.771 1.00 72.13 H new ATOM 0 HH22 ARG A 52 -7.250 9.873 -10.451 1.00 72.13 H new ATOM 742 N ILE A 53 -7.530 3.067 -3.120 1.00 4.12 N ATOM 743 CA ILE A 53 -7.117 2.085 -2.185 1.00 72.33 C ATOM 744 C ILE A 53 -8.385 1.624 -1.572 1.00 61.44 C ATOM 745 O ILE A 53 -9.301 2.412 -1.341 1.00 73.11 O ATOM 746 CB ILE A 53 -6.167 2.650 -1.100 1.00 74.34 C ATOM 747 CG1 ILE A 53 -4.779 2.893 -1.719 1.00 31.12 C ATOM 748 CG2 ILE A 53 -6.077 1.686 0.104 1.00 43.44 C ATOM 749 CD1 ILE A 53 -3.844 3.726 -0.857 1.00 14.52 C ATOM 0 H ILE A 53 -8.319 3.635 -2.811 1.00 4.12 H new ATOM 0 HA ILE A 53 -6.549 1.290 -2.669 1.00 72.33 H new ATOM 0 HB ILE A 53 -6.562 3.597 -0.731 1.00 74.34 H new ATOM 0 HG12 ILE A 53 -4.309 1.930 -1.917 1.00 31.12 H new ATOM 0 HG13 ILE A 53 -4.906 3.390 -2.681 1.00 31.12 H new ATOM 0 HG21 ILE A 53 -5.405 2.102 0.854 1.00 43.44 H new ATOM 0 HG22 ILE A 53 -7.068 1.553 0.539 1.00 43.44 H new ATOM 0 HG23 ILE A 53 -5.695 0.721 -0.230 1.00 43.44 H new ATOM 0 HD11 ILE A 53 -2.889 3.848 -1.369 1.00 14.52 H new ATOM 0 HD12 ILE A 53 -4.288 4.705 -0.680 1.00 14.52 H new ATOM 0 HD13 ILE A 53 -3.683 3.223 0.096 1.00 14.52 H new ATOM 761 N HIS A 54 -8.455 0.328 -1.335 1.00 42.24 N ATOM 762 CA HIS A 54 -9.580 -0.272 -0.704 1.00 0.13 C ATOM 763 C HIS A 54 -8.991 -1.325 0.154 1.00 3.43 C ATOM 764 O HIS A 54 -7.849 -1.733 -0.059 1.00 43.43 O ATOM 765 CB HIS A 54 -10.574 -0.934 -1.693 1.00 61.14 C ATOM 766 CG HIS A 54 -11.248 0.069 -2.611 1.00 50.13 C ATOM 767 ND1 HIS A 54 -12.024 1.090 -2.136 1.00 31.32 N ATOM 768 CD2 HIS A 54 -11.219 0.190 -3.956 1.00 44.24 C ATOM 769 CE1 HIS A 54 -12.455 1.809 -3.163 1.00 75.14 C ATOM 770 NE2 HIS A 54 -11.980 1.280 -4.277 1.00 23.15 N ATOM 0 H HIS A 54 -7.717 -0.331 -1.583 1.00 42.24 H new ATOM 0 HA HIS A 54 -10.158 0.485 -0.174 1.00 0.13 H new ATOM 0 HB2 HIS A 54 -10.043 -1.671 -2.295 1.00 61.14 H new ATOM 0 HB3 HIS A 54 -11.336 -1.472 -1.129 1.00 61.14 H new ATOM 0 HD2 HIS A 54 -10.694 -0.453 -4.647 1.00 44.24 H new ATOM 0 HE1 HIS A 54 -13.089 2.681 -3.100 1.00 75.14 H new ATOM 0 HE2 HIS A 54 -12.152 1.627 -5.220 1.00 23.15 H new ATOM 779 N LYS A 55 -9.731 -1.783 1.181 1.00 72.55 N ATOM 780 CA LYS A 55 -9.228 -2.818 2.047 1.00 5.54 C ATOM 781 C LYS A 55 -9.106 -4.079 1.241 1.00 61.00 C ATOM 782 O LYS A 55 -9.931 -4.356 0.360 1.00 4.41 O ATOM 783 CB LYS A 55 -10.151 -3.105 3.243 1.00 44.23 C ATOM 784 CG LYS A 55 -10.290 -1.905 4.191 1.00 24.21 C ATOM 785 CD LYS A 55 -11.506 -1.992 5.112 1.00 23.22 C ATOM 786 CE LYS A 55 -11.498 -3.198 6.060 1.00 52.23 C ATOM 787 NZ LYS A 55 -12.786 -3.293 6.769 1.00 45.44 N ATOM 0 H LYS A 55 -10.665 -1.446 1.414 1.00 72.55 H new ATOM 0 HA LYS A 55 -8.271 -2.479 2.444 1.00 5.54 H new ATOM 0 HB2 LYS A 55 -11.137 -3.387 2.875 1.00 44.23 H new ATOM 0 HB3 LYS A 55 -9.762 -3.958 3.799 1.00 44.23 H new ATOM 0 HG2 LYS A 55 -9.389 -1.826 4.799 1.00 24.21 H new ATOM 0 HG3 LYS A 55 -10.357 -0.991 3.600 1.00 24.21 H new ATOM 0 HD2 LYS A 55 -11.563 -1.079 5.705 1.00 23.22 H new ATOM 0 HD3 LYS A 55 -12.408 -2.032 4.501 1.00 23.22 H new ATOM 0 HE2 LYS A 55 -11.316 -4.113 5.496 1.00 52.23 H new ATOM 0 HE3 LYS A 55 -10.685 -3.100 6.779 1.00 52.23 H new ATOM 0 HZ1 LYS A 55 -12.771 -4.113 7.409 1.00 45.44 H new ATOM 0 HZ2 LYS A 55 -12.943 -2.426 7.321 1.00 45.44 H new ATOM 0 HZ3 LYS A 55 -13.555 -3.407 6.078 1.00 45.44 H new ATOM 801 N GLY A 56 -8.062 -4.849 1.516 1.00 65.24 N ATOM 802 CA GLY A 56 -7.860 -6.104 0.846 1.00 22.21 C ATOM 803 C GLY A 56 -6.773 -5.909 -0.148 1.00 14.55 C ATOM 804 O GLY A 56 -6.027 -6.848 -0.436 1.00 73.21 O ATOM 0 H GLY A 56 -7.345 -4.616 2.203 1.00 65.24 H new ATOM 0 HA2 GLY A 56 -7.591 -6.881 1.561 1.00 22.21 H new ATOM 0 HA3 GLY A 56 -8.777 -6.428 0.353 1.00 22.21 H new ATOM 808 N ASP A 57 -6.667 -4.663 -0.723 1.00 32.13 N ATOM 809 CA ASP A 57 -5.680 -4.354 -1.773 1.00 21.44 C ATOM 810 C ASP A 57 -4.323 -4.613 -1.250 1.00 44.14 C ATOM 811 O ASP A 57 -4.073 -4.499 -0.052 1.00 21.42 O ATOM 812 CB ASP A 57 -5.715 -2.883 -2.279 1.00 55.21 C ATOM 813 CG ASP A 57 -7.002 -2.645 -3.041 1.00 14.55 C ATOM 814 OD1 ASP A 57 -7.744 -3.627 -3.312 1.00 62.31 O ATOM 815 OD2 ASP A 57 -7.281 -1.474 -3.403 1.00 21.02 O ATOM 0 H ASP A 57 -7.258 -3.873 -0.465 1.00 32.13 H new ATOM 0 HA ASP A 57 -5.938 -4.993 -2.618 1.00 21.44 H new ATOM 0 HB2 ASP A 57 -5.646 -2.195 -1.436 1.00 55.21 H new ATOM 0 HB3 ASP A 57 -4.857 -2.687 -2.922 1.00 55.21 H new ATOM 820 N ARG A 58 -3.423 -5.032 -2.149 1.00 51.32 N ATOM 821 CA ARG A 58 -2.122 -5.459 -1.748 1.00 0.50 C ATOM 822 C ARG A 58 -1.142 -4.504 -2.315 1.00 20.24 C ATOM 823 O ARG A 58 -1.285 -4.060 -3.440 1.00 2.22 O ATOM 824 CB ARG A 58 -1.772 -6.862 -2.272 1.00 5.12 C ATOM 825 CG ARG A 58 -2.734 -7.929 -1.766 1.00 31.53 C ATOM 826 CD ARG A 58 -2.373 -9.328 -2.246 1.00 72.21 C ATOM 827 NE ARG A 58 -2.708 -9.434 -3.701 1.00 34.23 N ATOM 828 CZ ARG A 58 -3.620 -10.353 -4.207 1.00 42.31 C ATOM 829 NH1 ARG A 58 -4.294 -11.224 -3.377 1.00 24.32 N ATOM 830 NH2 ARG A 58 -3.819 -10.395 -5.539 1.00 41.45 N ATOM 0 H ARG A 58 -3.594 -5.076 -3.154 1.00 51.32 H new ATOM 0 HA ARG A 58 -2.097 -5.493 -0.659 1.00 0.50 H new ATOM 0 HB2 ARG A 58 -1.785 -6.853 -3.362 1.00 5.12 H new ATOM 0 HB3 ARG A 58 -0.757 -7.118 -1.967 1.00 5.12 H new ATOM 0 HG2 ARG A 58 -2.743 -7.915 -0.676 1.00 31.53 H new ATOM 0 HG3 ARG A 58 -3.744 -7.686 -2.096 1.00 31.53 H new ATOM 0 HD2 ARG A 58 -1.312 -9.521 -2.087 1.00 72.21 H new ATOM 0 HD3 ARG A 58 -2.922 -10.077 -1.676 1.00 72.21 H new ATOM 0 HE ARG A 58 -2.245 -8.801 -4.353 1.00 34.23 H new ATOM 0 HH11 ARG A 58 -4.127 -11.202 -2.371 1.00 24.32 H new ATOM 0 HH12 ARG A 58 -4.959 -11.891 -3.769 1.00 24.32 H new ATOM 0 HH21 ARG A 58 -3.306 -9.761 -6.152 1.00 41.45 H new ATOM 0 HH22 ARG A 58 -4.483 -11.061 -5.935 1.00 41.45 H new ATOM 844 N VAL A 59 -0.119 -4.162 -1.529 1.00 54.33 N ATOM 845 CA VAL A 59 0.923 -3.294 -1.986 1.00 1.33 C ATOM 846 C VAL A 59 2.004 -4.202 -2.499 1.00 41.12 C ATOM 847 O VAL A 59 2.410 -5.140 -1.807 1.00 41.32 O ATOM 848 CB VAL A 59 1.498 -2.425 -0.872 1.00 12.14 C ATOM 849 CG1 VAL A 59 2.557 -1.463 -1.467 1.00 53.51 C ATOM 850 CG2 VAL A 59 0.324 -1.685 -0.183 1.00 64.44 C ATOM 0 H VAL A 59 -0.006 -4.486 -0.568 1.00 54.33 H new ATOM 0 HA VAL A 59 0.531 -2.611 -2.740 1.00 1.33 H new ATOM 0 HB VAL A 59 2.008 -3.022 -0.116 1.00 12.14 H new ATOM 0 HG11 VAL A 59 2.970 -0.840 -0.673 1.00 53.51 H new ATOM 0 HG12 VAL A 59 3.357 -2.043 -1.927 1.00 53.51 H new ATOM 0 HG13 VAL A 59 2.090 -0.828 -2.220 1.00 53.51 H new ATOM 0 HG21 VAL A 59 0.711 -1.056 0.619 1.00 64.44 H new ATOM 0 HG22 VAL A 59 -0.194 -1.064 -0.914 1.00 64.44 H new ATOM 0 HG23 VAL A 59 -0.372 -2.414 0.232 1.00 64.44 H new ATOM 860 N LEU A 60 2.477 -3.952 -3.733 1.00 34.13 N ATOM 861 CA LEU A 60 3.524 -4.778 -4.297 1.00 31.31 C ATOM 862 C LEU A 60 4.808 -4.064 -4.069 1.00 34.10 C ATOM 863 O LEU A 60 5.723 -4.596 -3.466 1.00 34.52 O ATOM 864 CB LEU A 60 3.430 -4.969 -5.819 1.00 24.22 C ATOM 865 CG LEU A 60 2.160 -5.653 -6.325 1.00 3.12 C ATOM 866 CD1 LEU A 60 2.132 -5.634 -7.825 1.00 30.31 C ATOM 867 CD2 LEU A 60 1.939 -7.081 -5.792 1.00 54.03 C ATOM 0 H LEU A 60 2.150 -3.198 -4.337 1.00 34.13 H new ATOM 0 HA LEU A 60 3.440 -5.757 -3.824 1.00 31.31 H new ATOM 0 HB2 LEU A 60 3.508 -3.991 -6.295 1.00 24.22 H new ATOM 0 HB3 LEU A 60 4.290 -5.553 -6.147 1.00 24.22 H new ATOM 0 HG LEU A 60 1.329 -5.073 -5.924 1.00 3.12 H new ATOM 0 HD11 LEU A 60 1.224 -6.123 -8.178 1.00 30.31 H new ATOM 0 HD12 LEU A 60 2.148 -4.602 -8.176 1.00 30.31 H new ATOM 0 HD13 LEU A 60 3.003 -6.163 -8.212 1.00 30.31 H new ATOM 0 HD21 LEU A 60 1.015 -7.485 -6.205 1.00 54.03 H new ATOM 0 HD22 LEU A 60 2.776 -7.714 -6.089 1.00 54.03 H new ATOM 0 HD23 LEU A 60 1.870 -7.057 -4.704 1.00 54.03 H new ATOM 879 N ALA A 61 4.917 -2.829 -4.597 1.00 2.21 N ATOM 880 CA ALA A 61 6.150 -2.100 -4.519 1.00 63.41 C ATOM 881 C ALA A 61 5.794 -0.717 -4.144 1.00 21.11 C ATOM 882 O ALA A 61 4.733 -0.239 -4.510 1.00 71.04 O ATOM 883 CB ALA A 61 6.888 -2.026 -5.876 1.00 12.24 C ATOM 0 H ALA A 61 4.160 -2.338 -5.073 1.00 2.21 H new ATOM 0 HA ALA A 61 6.805 -2.601 -3.806 1.00 63.41 H new ATOM 0 HB1 ALA A 61 7.814 -1.463 -5.757 1.00 12.24 H new ATOM 0 HB2 ALA A 61 7.118 -3.034 -6.220 1.00 12.24 H new ATOM 0 HB3 ALA A 61 6.253 -1.529 -6.609 1.00 12.24 H new ATOM 889 N VAL A 62 6.686 -0.033 -3.407 1.00 22.22 N ATOM 890 CA VAL A 62 6.450 1.334 -3.031 1.00 61.31 C ATOM 891 C VAL A 62 7.570 2.108 -3.639 1.00 64.34 C ATOM 892 O VAL A 62 8.733 1.838 -3.382 1.00 34.41 O ATOM 893 CB VAL A 62 6.436 1.580 -1.528 1.00 35.31 C ATOM 894 CG1 VAL A 62 6.207 3.091 -1.258 1.00 3.23 C ATOM 895 CG2 VAL A 62 5.346 0.689 -0.906 1.00 62.32 C ATOM 0 H VAL A 62 7.568 -0.420 -3.071 1.00 22.22 H new ATOM 0 HA VAL A 62 5.460 1.630 -3.378 1.00 61.31 H new ATOM 0 HB VAL A 62 7.389 1.318 -1.068 1.00 35.31 H new ATOM 0 HG11 VAL A 62 6.196 3.271 -0.183 1.00 3.23 H new ATOM 0 HG12 VAL A 62 7.011 3.668 -1.715 1.00 3.23 H new ATOM 0 HG13 VAL A 62 5.252 3.397 -1.687 1.00 3.23 H new ATOM 0 HG21 VAL A 62 5.317 0.848 0.172 1.00 62.32 H new ATOM 0 HG22 VAL A 62 4.378 0.944 -1.337 1.00 62.32 H new ATOM 0 HG23 VAL A 62 5.570 -0.358 -1.112 1.00 62.32 H new ATOM 905 N ASN A 63 7.207 3.083 -4.488 1.00 31.25 N ATOM 906 CA ASN A 63 8.154 3.957 -5.190 1.00 24.04 C ATOM 907 C ASN A 63 9.183 3.121 -5.931 1.00 71.14 C ATOM 908 O ASN A 63 10.352 3.476 -6.020 1.00 52.22 O ATOM 909 CB ASN A 63 8.872 5.001 -4.285 1.00 51.23 C ATOM 910 CG ASN A 63 9.379 6.143 -5.177 1.00 61.33 C ATOM 911 OD1 ASN A 63 8.580 6.820 -5.836 1.00 22.03 O ATOM 912 ND2 ASN A 63 10.700 6.374 -5.209 1.00 11.12 N ATOM 0 H ASN A 63 6.232 3.287 -4.708 1.00 31.25 H new ATOM 0 HA ASN A 63 7.551 4.538 -5.888 1.00 24.04 H new ATOM 0 HB2 ASN A 63 8.186 5.385 -3.530 1.00 51.23 H new ATOM 0 HB3 ASN A 63 9.703 4.536 -3.754 1.00 51.23 H new ATOM 0 HD21 ASN A 63 11.072 7.126 -5.789 1.00 11.12 H new ATOM 0 HD22 ASN A 63 11.332 5.797 -4.654 1.00 11.12 H new ATOM 919 N GLY A 64 8.737 1.989 -6.493 1.00 15.25 N ATOM 920 CA GLY A 64 9.568 1.208 -7.365 1.00 11.31 C ATOM 921 C GLY A 64 10.146 0.099 -6.590 1.00 44.12 C ATOM 922 O GLY A 64 10.484 -0.939 -7.143 1.00 61.32 O ATOM 0 H GLY A 64 7.802 1.609 -6.348 1.00 15.25 H new ATOM 0 HA2 GLY A 64 8.983 0.822 -8.200 1.00 11.31 H new ATOM 0 HA3 GLY A 64 10.359 1.827 -7.789 1.00 11.31 H new ATOM 926 N VAL A 65 10.302 0.284 -5.273 1.00 74.40 N ATOM 927 CA VAL A 65 11.002 -0.630 -4.481 1.00 52.54 C ATOM 928 C VAL A 65 10.084 -1.786 -4.192 1.00 2.13 C ATOM 929 O VAL A 65 9.047 -1.613 -3.547 1.00 0.25 O ATOM 930 CB VAL A 65 11.411 0.021 -3.175 1.00 24.22 C ATOM 931 CG1 VAL A 65 12.139 -0.990 -2.336 1.00 52.43 C ATOM 932 CG2 VAL A 65 12.260 1.278 -3.497 1.00 20.03 C ATOM 0 H VAL A 65 9.931 1.086 -4.763 1.00 74.40 H new ATOM 0 HA VAL A 65 11.899 -0.966 -5.001 1.00 52.54 H new ATOM 0 HB VAL A 65 10.548 0.352 -2.597 1.00 24.22 H new ATOM 0 HG11 VAL A 65 12.438 -0.532 -1.393 1.00 52.43 H new ATOM 0 HG12 VAL A 65 11.483 -1.837 -2.136 1.00 52.43 H new ATOM 0 HG13 VAL A 65 13.025 -1.335 -2.869 1.00 52.43 H new ATOM 0 HG21 VAL A 65 12.564 1.760 -2.568 1.00 20.03 H new ATOM 0 HG22 VAL A 65 13.146 0.984 -4.060 1.00 20.03 H new ATOM 0 HG23 VAL A 65 11.668 1.975 -4.090 1.00 20.03 H new ATOM 942 N SER A 66 10.473 -2.991 -4.684 1.00 13.34 N ATOM 943 CA SER A 66 9.739 -4.224 -4.433 1.00 40.42 C ATOM 944 C SER A 66 9.580 -4.395 -2.938 1.00 54.50 C ATOM 945 O SER A 66 10.559 -4.502 -2.199 1.00 70.04 O ATOM 946 CB SER A 66 10.440 -5.465 -4.998 1.00 43.32 C ATOM 947 OG SER A 66 10.716 -5.277 -6.389 1.00 72.24 O ATOM 0 H SER A 66 11.304 -3.117 -5.262 1.00 13.34 H new ATOM 0 HA SER A 66 8.776 -4.138 -4.936 1.00 40.42 H new ATOM 0 HB2 SER A 66 11.368 -5.648 -4.456 1.00 43.32 H new ATOM 0 HB3 SER A 66 9.811 -6.344 -4.859 1.00 43.32 H new ATOM 0 HG SER A 66 11.165 -6.072 -6.744 1.00 72.24 H new ATOM 953 N LEU A 67 8.326 -4.336 -2.478 1.00 53.05 N ATOM 954 CA LEU A 67 8.028 -4.208 -1.081 1.00 4.55 C ATOM 955 C LEU A 67 7.625 -5.558 -0.614 1.00 12.42 C ATOM 956 O LEU A 67 7.660 -5.855 0.539 1.00 34.04 O ATOM 957 CB LEU A 67 6.836 -3.227 -0.883 1.00 53.04 C ATOM 958 CG LEU A 67 6.614 -2.653 0.523 1.00 73.40 C ATOM 959 CD1 LEU A 67 5.791 -3.577 1.435 1.00 11.32 C ATOM 960 CD2 LEU A 67 7.898 -2.080 1.159 1.00 24.34 C ATOM 0 H LEU A 67 7.502 -4.377 -3.078 1.00 53.05 H new ATOM 0 HA LEU A 67 8.887 -3.826 -0.530 1.00 4.55 H new ATOM 0 HB2 LEU A 67 6.971 -2.391 -1.570 1.00 53.04 H new ATOM 0 HB3 LEU A 67 5.924 -3.742 -1.184 1.00 53.04 H new ATOM 0 HG LEU A 67 5.975 -1.779 0.394 1.00 73.40 H new ATOM 0 HD11 LEU A 67 5.672 -3.111 2.413 1.00 11.32 H new ATOM 0 HD12 LEU A 67 4.810 -3.746 0.991 1.00 11.32 H new ATOM 0 HD13 LEU A 67 6.307 -4.530 1.548 1.00 11.32 H new ATOM 0 HD21 LEU A 67 7.670 -1.691 2.151 1.00 24.34 H new ATOM 0 HD22 LEU A 67 8.646 -2.868 1.241 1.00 24.34 H new ATOM 0 HD23 LEU A 67 8.286 -1.275 0.534 1.00 24.34 H new ATOM 972 N GLU A 68 7.248 -6.439 -1.544 1.00 14.50 N ATOM 973 CA GLU A 68 6.845 -7.770 -1.160 1.00 10.00 C ATOM 974 C GLU A 68 8.035 -8.468 -0.520 1.00 64.45 C ATOM 975 O GLU A 68 9.147 -8.445 -1.044 1.00 3.33 O ATOM 976 CB GLU A 68 6.309 -8.617 -2.316 1.00 32.30 C ATOM 977 CG GLU A 68 4.950 -8.115 -2.825 1.00 14.53 C ATOM 978 CD GLU A 68 4.379 -9.151 -3.755 1.00 63.11 C ATOM 979 OE1 GLU A 68 4.868 -9.274 -4.895 1.00 43.50 O ATOM 980 OE2 GLU A 68 3.461 -9.878 -3.333 1.00 41.21 O ATOM 0 H GLU A 68 7.217 -6.249 -2.546 1.00 14.50 H new ATOM 0 HA GLU A 68 6.016 -7.665 -0.460 1.00 10.00 H new ATOM 0 HB2 GLU A 68 7.028 -8.606 -3.135 1.00 32.30 H new ATOM 0 HB3 GLU A 68 6.212 -9.653 -1.990 1.00 32.30 H new ATOM 0 HG2 GLU A 68 4.273 -7.941 -1.989 1.00 14.53 H new ATOM 0 HG3 GLU A 68 5.067 -7.163 -3.343 1.00 14.53 H new ATOM 987 N GLY A 69 7.801 -9.038 0.673 1.00 12.21 N ATOM 988 CA GLY A 69 8.856 -9.668 1.451 1.00 34.21 C ATOM 989 C GLY A 69 9.264 -8.717 2.536 1.00 4.22 C ATOM 990 O GLY A 69 9.920 -9.103 3.507 1.00 32.53 O ATOM 0 H GLY A 69 6.882 -9.070 1.114 1.00 12.21 H new ATOM 0 HA2 GLY A 69 8.505 -10.607 1.880 1.00 34.21 H new ATOM 0 HA3 GLY A 69 9.708 -9.907 0.814 1.00 34.21 H new ATOM 994 N ALA A 70 8.889 -7.430 2.394 1.00 10.03 N ATOM 995 CA ALA A 70 9.216 -6.442 3.390 1.00 51.02 C ATOM 996 C ALA A 70 8.212 -6.594 4.480 1.00 30.42 C ATOM 997 O ALA A 70 7.130 -7.116 4.267 1.00 12.24 O ATOM 998 CB ALA A 70 9.164 -4.984 2.884 1.00 54.25 C ATOM 0 H ALA A 70 8.363 -7.071 1.597 1.00 10.03 H new ATOM 0 HA ALA A 70 10.245 -6.614 3.706 1.00 51.02 H new ATOM 0 HB1 ALA A 70 9.424 -4.307 3.698 1.00 54.25 H new ATOM 0 HB2 ALA A 70 9.873 -4.857 2.066 1.00 54.25 H new ATOM 0 HB3 ALA A 70 8.158 -4.757 2.530 1.00 54.25 H new ATOM 1004 N THR A 71 8.596 -6.199 5.681 1.00 0.53 N ATOM 1005 CA THR A 71 7.811 -6.457 6.846 1.00 45.43 C ATOM 1006 C THR A 71 6.697 -5.412 6.941 1.00 31.21 C ATOM 1007 O THR A 71 6.581 -4.531 6.091 1.00 11.24 O ATOM 1008 CB THR A 71 8.672 -6.437 8.116 1.00 3.42 C ATOM 1009 OG1 THR A 71 9.151 -5.104 8.395 1.00 64.43 O ATOM 1010 CG2 THR A 71 9.904 -7.350 7.891 1.00 3.51 C ATOM 0 H THR A 71 9.462 -5.692 5.862 1.00 0.53 H new ATOM 0 HA THR A 71 7.376 -7.453 6.762 1.00 45.43 H new ATOM 0 HB THR A 71 8.065 -6.782 8.953 1.00 3.42 H new ATOM 0 HG1 THR A 71 9.696 -5.116 9.210 1.00 64.43 H new ATOM 0 HG21 THR A 71 10.527 -7.347 8.785 1.00 3.51 H new ATOM 0 HG22 THR A 71 9.570 -8.367 7.685 1.00 3.51 H new ATOM 0 HG23 THR A 71 10.482 -6.979 7.045 1.00 3.51 H new ATOM 1018 N HIS A 72 5.852 -5.522 8.005 1.00 62.42 N ATOM 1019 CA HIS A 72 4.774 -4.555 8.269 1.00 21.15 C ATOM 1020 C HIS A 72 5.402 -3.190 8.428 1.00 23.10 C ATOM 1021 O HIS A 72 5.016 -2.243 7.772 1.00 71.45 O ATOM 1022 CB HIS A 72 4.056 -4.793 9.638 1.00 34.54 C ATOM 1023 CG HIS A 72 3.128 -5.962 9.730 1.00 32.20 C ATOM 1024 ND1 HIS A 72 3.476 -7.228 9.382 1.00 61.11 N ATOM 1025 CD2 HIS A 72 1.916 -6.031 10.305 1.00 41.44 C ATOM 1026 CE1 HIS A 72 2.498 -8.041 9.726 1.00 24.14 C ATOM 1027 NE2 HIS A 72 1.540 -7.332 10.299 1.00 52.43 N ATOM 0 H HIS A 72 5.906 -6.277 8.689 1.00 62.42 H new ATOM 0 HA HIS A 72 4.066 -4.652 7.446 1.00 21.15 H new ATOM 0 HB2 HIS A 72 4.822 -4.909 10.405 1.00 34.54 H new ATOM 0 HB3 HIS A 72 3.491 -3.894 9.884 1.00 34.54 H new ATOM 0 HD2 HIS A 72 1.347 -5.202 10.699 1.00 41.44 H new ATOM 0 HE1 HIS A 72 2.481 -9.109 9.567 1.00 24.14 H new ATOM 0 HE2 HIS A 72 0.666 -7.702 10.673 1.00 52.43 H new ATOM 1036 N LYS A 73 6.402 -3.083 9.333 1.00 10.44 N ATOM 1037 CA LYS A 73 7.019 -1.798 9.632 1.00 1.52 C ATOM 1038 C LYS A 73 7.683 -1.245 8.411 1.00 74.55 C ATOM 1039 O LYS A 73 7.481 -0.097 8.078 1.00 61.23 O ATOM 1040 CB LYS A 73 8.053 -1.872 10.759 1.00 32.13 C ATOM 1041 CG LYS A 73 7.420 -2.230 12.110 1.00 60.33 C ATOM 1042 CD LYS A 73 8.441 -2.305 13.241 1.00 64.04 C ATOM 1043 CE LYS A 73 7.843 -2.691 14.602 1.00 23.15 C ATOM 1044 NZ LYS A 73 6.800 -1.725 15.030 1.00 11.31 N ATOM 0 H LYS A 73 6.786 -3.870 9.857 1.00 10.44 H new ATOM 0 HA LYS A 73 6.211 -1.146 9.964 1.00 1.52 H new ATOM 0 HB2 LYS A 73 8.809 -2.615 10.507 1.00 32.13 H new ATOM 0 HB3 LYS A 73 8.564 -0.913 10.843 1.00 32.13 H new ATOM 0 HG2 LYS A 73 6.663 -1.487 12.359 1.00 60.33 H new ATOM 0 HG3 LYS A 73 6.909 -3.189 12.024 1.00 60.33 H new ATOM 0 HD2 LYS A 73 9.209 -3.031 12.975 1.00 64.04 H new ATOM 0 HD3 LYS A 73 8.935 -1.338 13.335 1.00 64.04 H new ATOM 0 HE2 LYS A 73 7.412 -3.690 14.541 1.00 23.15 H new ATOM 0 HE3 LYS A 73 8.634 -2.730 15.351 1.00 23.15 H new ATOM 0 HZ1 LYS A 73 6.501 -1.945 16.001 1.00 11.31 H new ATOM 0 HZ2 LYS A 73 7.186 -0.760 14.997 1.00 11.31 H new ATOM 0 HZ3 LYS A 73 5.981 -1.793 14.392 1.00 11.31 H new ATOM 1058 N GLN A 74 8.488 -2.061 7.708 1.00 44.04 N ATOM 1059 CA GLN A 74 9.146 -1.606 6.494 1.00 21.31 C ATOM 1060 C GLN A 74 8.102 -1.132 5.488 1.00 32.01 C ATOM 1061 O GLN A 74 8.286 -0.105 4.850 1.00 14.00 O ATOM 1062 CB GLN A 74 9.982 -2.714 5.871 1.00 74.41 C ATOM 1063 CG GLN A 74 11.124 -3.155 6.798 1.00 43.53 C ATOM 1064 CD GLN A 74 12.206 -2.086 6.747 1.00 32.10 C ATOM 1065 OE1 GLN A 74 12.902 -1.952 5.742 1.00 43.22 O ATOM 1066 NE2 GLN A 74 12.349 -1.296 7.816 1.00 75.13 N ATOM 0 H GLN A 74 8.690 -3.027 7.965 1.00 44.04 H new ATOM 0 HA GLN A 74 9.809 -0.782 6.758 1.00 21.31 H new ATOM 0 HB2 GLN A 74 9.344 -3.569 5.648 1.00 74.41 H new ATOM 0 HB3 GLN A 74 10.395 -2.369 4.923 1.00 74.41 H new ATOM 0 HG2 GLN A 74 10.760 -3.282 7.818 1.00 43.53 H new ATOM 0 HG3 GLN A 74 11.524 -4.118 6.480 1.00 43.53 H new ATOM 0 HE21 GLN A 74 11.756 -1.433 8.634 1.00 75.13 H new ATOM 0 HE22 GLN A 74 13.051 -0.556 7.813 1.00 75.13 H new ATOM 1075 N ALA A 75 6.971 -1.873 5.371 1.00 1.54 N ATOM 1076 CA ALA A 75 5.866 -1.490 4.484 1.00 13.10 C ATOM 1077 C ALA A 75 5.465 -0.062 4.721 1.00 13.33 C ATOM 1078 O ALA A 75 5.464 0.757 3.796 1.00 65.51 O ATOM 1079 CB ALA A 75 4.602 -2.348 4.668 1.00 35.42 C ATOM 0 H ALA A 75 6.809 -2.739 5.885 1.00 1.54 H new ATOM 0 HA ALA A 75 6.250 -1.641 3.475 1.00 13.10 H new ATOM 0 HB1 ALA A 75 3.828 -2.008 3.980 1.00 35.42 H new ATOM 0 HB2 ALA A 75 4.838 -3.392 4.461 1.00 35.42 H new ATOM 0 HB3 ALA A 75 4.244 -2.253 5.693 1.00 35.42 H new ATOM 1085 N VAL A 76 5.117 0.273 5.969 1.00 4.20 N ATOM 1086 CA VAL A 76 4.597 1.584 6.252 1.00 34.33 C ATOM 1087 C VAL A 76 5.737 2.591 6.218 1.00 23.40 C ATOM 1088 O VAL A 76 5.534 3.736 5.845 1.00 33.20 O ATOM 1089 CB VAL A 76 3.830 1.687 7.562 1.00 21.42 C ATOM 1090 CG1 VAL A 76 2.532 0.867 7.413 1.00 14.12 C ATOM 1091 CG2 VAL A 76 4.703 1.195 8.727 1.00 31.31 C ATOM 0 H VAL A 76 5.190 -0.346 6.777 1.00 4.20 H new ATOM 0 HA VAL A 76 3.864 1.804 5.476 1.00 34.33 H new ATOM 0 HB VAL A 76 3.570 2.722 7.786 1.00 21.42 H new ATOM 0 HG11 VAL A 76 1.959 0.922 8.339 1.00 14.12 H new ATOM 0 HG12 VAL A 76 1.938 1.272 6.594 1.00 14.12 H new ATOM 0 HG13 VAL A 76 2.781 -0.173 7.201 1.00 14.12 H new ATOM 0 HG21 VAL A 76 4.144 1.273 9.659 1.00 31.31 H new ATOM 0 HG22 VAL A 76 4.983 0.155 8.558 1.00 31.31 H new ATOM 0 HG23 VAL A 76 5.603 1.807 8.791 1.00 31.31 H new ATOM 1101 N CYS A 77 6.975 2.178 6.635 1.00 74.41 N ATOM 1102 CA CYS A 77 8.057 3.209 6.749 1.00 21.30 C ATOM 1103 C CYS A 77 8.384 3.644 5.304 1.00 3.11 C ATOM 1104 O CYS A 77 8.908 4.699 5.050 1.00 3.42 O ATOM 1105 CB CYS A 77 9.349 2.636 7.409 1.00 55.43 C ATOM 1106 SG CYS A 77 10.651 3.897 7.635 1.00 42.32 S ATOM 0 H CYS A 77 7.236 1.223 6.879 1.00 74.41 H new ATOM 0 HA CYS A 77 7.718 4.033 7.376 1.00 21.30 H new ATOM 0 HB2 CYS A 77 9.096 2.205 8.378 1.00 55.43 H new ATOM 0 HB3 CYS A 77 9.738 1.826 6.792 1.00 55.43 H new ATOM 0 HG CYS A 77 11.692 3.351 8.189 1.00 42.32 H new ATOM 1111 N THR A 78 8.238 2.701 4.338 1.00 2.34 N ATOM 1112 CA THR A 78 8.560 3.001 2.954 1.00 44.34 C ATOM 1113 C THR A 78 7.490 3.940 2.431 1.00 70.44 C ATOM 1114 O THR A 78 7.790 4.909 1.776 1.00 11.04 O ATOM 1115 CB THR A 78 8.635 1.753 2.068 1.00 45.21 C ATOM 1116 OG1 THR A 78 9.483 0.769 2.677 1.00 74.30 O ATOM 1117 CG2 THR A 78 9.248 2.141 0.698 1.00 35.34 C ATOM 0 H THR A 78 7.905 1.751 4.505 1.00 2.34 H new ATOM 0 HA THR A 78 9.551 3.454 2.920 1.00 44.34 H new ATOM 0 HB THR A 78 7.631 1.347 1.941 1.00 45.21 H new ATOM 0 HG1 THR A 78 8.940 0.160 3.220 1.00 74.30 H new ATOM 0 HG21 THR A 78 9.305 1.258 0.062 1.00 35.34 H new ATOM 0 HG22 THR A 78 8.622 2.894 0.219 1.00 35.34 H new ATOM 0 HG23 THR A 78 10.249 2.545 0.849 1.00 35.34 H new ATOM 1125 N LEU A 79 6.205 3.663 2.786 1.00 71.55 N ATOM 1126 CA LEU A 79 5.076 4.536 2.413 1.00 23.21 C ATOM 1127 C LEU A 79 5.282 5.913 3.029 1.00 10.51 C ATOM 1128 O LEU A 79 4.812 6.908 2.500 1.00 3.34 O ATOM 1129 CB LEU A 79 3.694 4.008 2.890 1.00 51.14 C ATOM 1130 CG LEU A 79 3.211 2.729 2.157 1.00 2.42 C ATOM 1131 CD1 LEU A 79 1.997 2.077 2.853 1.00 54.30 C ATOM 1132 CD2 LEU A 79 2.953 2.966 0.650 1.00 75.41 C ATOM 0 H LEU A 79 5.934 2.843 3.328 1.00 71.55 H new ATOM 0 HA LEU A 79 5.063 4.567 1.324 1.00 23.21 H new ATOM 0 HB2 LEU A 79 3.746 3.802 3.959 1.00 51.14 H new ATOM 0 HB3 LEU A 79 2.951 4.794 2.753 1.00 51.14 H new ATOM 0 HG LEU A 79 4.034 2.017 2.222 1.00 2.42 H new ATOM 0 HD11 LEU A 79 1.697 1.186 2.302 1.00 54.30 H new ATOM 0 HD12 LEU A 79 2.267 1.800 3.872 1.00 54.30 H new ATOM 0 HD13 LEU A 79 1.168 2.785 2.877 1.00 54.30 H new ATOM 0 HD21 LEU A 79 2.617 2.038 0.188 1.00 75.41 H new ATOM 0 HD22 LEU A 79 2.186 3.730 0.528 1.00 75.41 H new ATOM 0 HD23 LEU A 79 3.874 3.297 0.171 1.00 75.41 H new ATOM 1144 N ARG A 80 5.965 5.976 4.186 1.00 12.25 N ATOM 1145 CA ARG A 80 6.236 7.241 4.834 1.00 43.12 C ATOM 1146 C ARG A 80 7.316 7.947 4.039 1.00 43.44 C ATOM 1147 O ARG A 80 7.099 9.048 3.540 1.00 14.20 O ATOM 1148 CB ARG A 80 6.728 7.052 6.313 1.00 15.11 C ATOM 1149 CG ARG A 80 6.910 8.350 7.139 1.00 65.25 C ATOM 1150 CD ARG A 80 8.233 9.115 6.880 1.00 23.44 C ATOM 1151 NE ARG A 80 8.289 10.280 7.826 1.00 42.53 N ATOM 1152 CZ ARG A 80 9.474 10.961 8.076 1.00 51.21 C ATOM 1153 NH1 ARG A 80 10.640 10.602 7.441 1.00 1.31 N ATOM 1154 NH2 ARG A 80 9.477 11.998 8.960 1.00 74.50 N ATOM 0 H ARG A 80 6.332 5.161 4.678 1.00 12.25 H new ATOM 0 HA ARG A 80 5.314 7.822 4.867 1.00 43.12 H new ATOM 0 HB2 ARG A 80 6.016 6.411 6.833 1.00 15.11 H new ATOM 0 HB3 ARG A 80 7.680 6.521 6.293 1.00 15.11 H new ATOM 0 HG2 ARG A 80 6.075 9.018 6.926 1.00 65.25 H new ATOM 0 HG3 ARG A 80 6.855 8.099 8.198 1.00 65.25 H new ATOM 0 HD2 ARG A 80 9.089 8.458 7.034 1.00 23.44 H new ATOM 0 HD3 ARG A 80 8.277 9.460 5.847 1.00 23.44 H new ATOM 0 HE ARG A 80 7.435 10.579 8.297 1.00 42.53 H new ATOM 0 HH11 ARG A 80 10.642 9.827 6.777 1.00 1.31 H new ATOM 0 HH12 ARG A 80 11.503 11.110 7.634 1.00 1.31 H new ATOM 0 HH21 ARG A 80 8.614 12.268 9.432 1.00 74.50 H new ATOM 0 HH22 ARG A 80 10.342 12.504 9.150 1.00 74.50 H new ATOM 1168 N ASN A 81 8.523 7.316 3.941 1.00 1.51 N ATOM 1169 CA ASN A 81 9.703 7.957 3.298 1.00 4.45 C ATOM 1170 C ASN A 81 9.584 7.954 1.791 1.00 22.45 C ATOM 1171 O ASN A 81 10.495 7.528 1.074 1.00 64.43 O ATOM 1172 CB ASN A 81 11.059 7.312 3.667 1.00 12.21 C ATOM 1173 CG ASN A 81 11.297 7.535 5.146 1.00 54.31 C ATOM 1174 OD1 ASN A 81 11.259 8.668 5.630 1.00 13.42 O ATOM 1175 ND2 ASN A 81 11.541 6.457 5.892 1.00 63.53 N ATOM 0 H ASN A 81 8.700 6.376 4.295 1.00 1.51 H new ATOM 0 HA ASN A 81 9.696 8.974 3.689 1.00 4.45 H new ATOM 0 HB2 ASN A 81 11.048 6.246 3.439 1.00 12.21 H new ATOM 0 HB3 ASN A 81 11.864 7.755 3.081 1.00 12.21 H new ATOM 0 HD21 ASN A 81 11.703 6.556 6.894 1.00 63.53 H new ATOM 0 HD22 ASN A 81 11.566 5.533 5.460 1.00 63.53 H new ATOM 1182 N THR A 82 8.493 8.484 1.317 1.00 2.44 N ATOM 1183 CA THR A 82 8.303 8.820 -0.055 1.00 15.15 C ATOM 1184 C THR A 82 8.228 10.321 -0.080 1.00 75.22 C ATOM 1185 O THR A 82 8.456 10.986 0.939 1.00 33.12 O ATOM 1186 CB THR A 82 7.034 8.235 -0.627 1.00 44.33 C ATOM 1187 OG1 THR A 82 5.998 8.321 0.347 1.00 72.34 O ATOM 1188 CG2 THR A 82 7.320 6.765 -0.947 1.00 10.40 C ATOM 0 H THR A 82 7.685 8.700 1.901 1.00 2.44 H new ATOM 0 HA THR A 82 9.114 8.418 -0.662 1.00 15.15 H new ATOM 0 HB THR A 82 6.719 8.772 -1.522 1.00 44.33 H new ATOM 0 HG1 THR A 82 6.000 7.511 0.899 1.00 72.34 H new ATOM 0 HG21 THR A 82 6.425 6.303 -1.364 1.00 10.40 H new ATOM 0 HG22 THR A 82 8.132 6.702 -1.671 1.00 10.40 H new ATOM 0 HG23 THR A 82 7.606 6.243 -0.034 1.00 10.40 H new ATOM 1196 N GLY A 83 7.948 10.883 -1.258 1.00 14.31 N ATOM 1197 CA GLY A 83 7.858 12.311 -1.406 1.00 2.44 C ATOM 1198 C GLY A 83 6.495 12.736 -0.928 1.00 63.40 C ATOM 1199 O GLY A 83 5.814 12.008 -0.216 1.00 0.14 O ATOM 0 H GLY A 83 7.782 10.358 -2.116 1.00 14.31 H new ATOM 0 HA2 GLY A 83 8.638 12.805 -0.827 1.00 2.44 H new ATOM 0 HA3 GLY A 83 8.005 12.598 -2.447 1.00 2.44 H new ATOM 1203 N GLN A 84 6.085 13.959 -1.343 1.00 55.24 N ATOM 1204 CA GLN A 84 4.801 14.542 -0.983 1.00 12.34 C ATOM 1205 C GLN A 84 3.704 13.555 -1.324 1.00 43.45 C ATOM 1206 O GLN A 84 2.857 13.211 -0.479 1.00 41.03 O ATOM 1207 CB GLN A 84 4.524 15.842 -1.773 1.00 44.13 C ATOM 1208 CG GLN A 84 3.212 16.534 -1.391 1.00 0.54 C ATOM 1209 CD GLN A 84 2.974 17.677 -2.370 1.00 2.55 C ATOM 1210 OE1 GLN A 84 3.682 17.804 -3.379 1.00 53.42 O ATOM 1211 NE2 GLN A 84 1.973 18.515 -2.089 1.00 23.31 N ATOM 0 H GLN A 84 6.651 14.561 -1.941 1.00 55.24 H new ATOM 0 HA GLN A 84 4.824 14.771 0.082 1.00 12.34 H new ATOM 0 HB2 GLN A 84 5.349 16.536 -1.612 1.00 44.13 H new ATOM 0 HB3 GLN A 84 4.505 15.611 -2.838 1.00 44.13 H new ATOM 0 HG2 GLN A 84 2.384 15.825 -1.426 1.00 0.54 H new ATOM 0 HG3 GLN A 84 3.265 16.913 -0.370 1.00 0.54 H new ATOM 0 HE21 GLN A 84 1.413 18.377 -1.248 1.00 23.31 H new ATOM 0 HE22 GLN A 84 1.769 19.294 -2.715 1.00 23.31 H new ATOM 1220 N VAL A 85 3.706 13.102 -2.575 1.00 61.53 N ATOM 1221 CA VAL A 85 2.748 12.166 -3.053 1.00 61.42 C ATOM 1222 C VAL A 85 3.464 10.846 -3.095 1.00 34.54 C ATOM 1223 O VAL A 85 4.680 10.799 -3.275 1.00 63.51 O ATOM 1224 CB VAL A 85 2.268 12.578 -4.444 1.00 41.31 C ATOM 1225 CG1 VAL A 85 1.383 11.506 -5.078 1.00 13.02 C ATOM 1226 CG2 VAL A 85 1.523 13.906 -4.267 1.00 42.24 C ATOM 0 H VAL A 85 4.388 13.390 -3.276 1.00 61.53 H new ATOM 0 HA VAL A 85 1.864 12.114 -2.417 1.00 61.42 H new ATOM 0 HB VAL A 85 3.109 12.695 -5.128 1.00 41.31 H new ATOM 0 HG11 VAL A 85 1.062 11.837 -6.066 1.00 13.02 H new ATOM 0 HG12 VAL A 85 1.946 10.578 -5.171 1.00 13.02 H new ATOM 0 HG13 VAL A 85 0.508 11.338 -4.450 1.00 13.02 H new ATOM 0 HG21 VAL A 85 1.156 14.249 -5.234 1.00 42.24 H new ATOM 0 HG22 VAL A 85 0.681 13.763 -3.589 1.00 42.24 H new ATOM 0 HG23 VAL A 85 2.201 14.651 -3.851 1.00 42.24 H new ATOM 1236 N VAL A 86 2.721 9.750 -2.878 1.00 43.11 N ATOM 1237 CA VAL A 86 3.284 8.433 -2.843 1.00 11.32 C ATOM 1238 C VAL A 86 2.900 7.804 -4.136 1.00 25.54 C ATOM 1239 O VAL A 86 1.738 7.849 -4.528 1.00 5.31 O ATOM 1240 CB VAL A 86 2.681 7.568 -1.735 1.00 3.42 C ATOM 1241 CG1 VAL A 86 3.432 6.219 -1.657 1.00 40.32 C ATOM 1242 CG2 VAL A 86 2.722 8.361 -0.426 1.00 2.42 C ATOM 0 H VAL A 86 1.713 9.775 -2.724 1.00 43.11 H new ATOM 0 HA VAL A 86 4.358 8.504 -2.670 1.00 11.32 H new ATOM 0 HB VAL A 86 1.639 7.326 -1.943 1.00 3.42 H new ATOM 0 HG11 VAL A 86 2.999 5.607 -0.866 1.00 40.32 H new ATOM 0 HG12 VAL A 86 3.343 5.697 -2.610 1.00 40.32 H new ATOM 0 HG13 VAL A 86 4.485 6.401 -1.440 1.00 40.32 H new ATOM 0 HG21 VAL A 86 2.296 7.760 0.377 1.00 2.42 H new ATOM 0 HG22 VAL A 86 3.755 8.610 -0.184 1.00 2.42 H new ATOM 0 HG23 VAL A 86 2.144 9.279 -0.538 1.00 2.42 H new ATOM 1252 N HIS A 87 3.865 7.210 -4.823 1.00 54.02 N ATOM 1253 CA HIS A 87 3.588 6.468 -6.016 1.00 23.11 C ATOM 1254 C HIS A 87 3.903 5.056 -5.646 1.00 24.31 C ATOM 1255 O HIS A 87 4.956 4.786 -5.076 1.00 32.42 O ATOM 1256 CB HIS A 87 4.490 6.900 -7.200 1.00 5.40 C ATOM 1257 CG HIS A 87 4.086 6.335 -8.536 1.00 20.44 C ATOM 1258 ND1 HIS A 87 4.499 5.113 -8.987 1.00 61.31 N ATOM 1259 CD2 HIS A 87 3.340 6.888 -9.514 1.00 24.21 C ATOM 1260 CE1 HIS A 87 4.014 4.935 -10.215 1.00 32.31 C ATOM 1261 NE2 HIS A 87 3.310 6.007 -10.548 1.00 43.14 N ATOM 0 H HIS A 87 4.850 7.236 -4.561 1.00 54.02 H new ATOM 0 HA HIS A 87 2.561 6.623 -6.346 1.00 23.11 H new ATOM 0 HB2 HIS A 87 4.486 7.988 -7.264 1.00 5.40 H new ATOM 0 HB3 HIS A 87 5.515 6.597 -6.988 1.00 5.40 H new ATOM 0 HD2 HIS A 87 2.856 7.853 -9.481 1.00 24.21 H new ATOM 0 HE1 HIS A 87 4.169 4.064 -10.835 1.00 32.31 H new ATOM 0 HE2 HIS A 87 2.825 6.148 -11.434 1.00 43.14 H new ATOM 1270 N LEU A 88 2.980 4.133 -5.899 1.00 21.21 N ATOM 1271 CA LEU A 88 3.195 2.799 -5.476 1.00 10.31 C ATOM 1272 C LEU A 88 2.371 1.918 -6.311 1.00 33.12 C ATOM 1273 O LEU A 88 1.270 2.290 -6.724 1.00 51.24 O ATOM 1274 CB LEU A 88 2.897 2.569 -3.964 1.00 11.43 C ATOM 1275 CG LEU A 88 1.436 2.812 -3.470 1.00 51.44 C ATOM 1276 CD1 LEU A 88 0.773 4.134 -3.917 1.00 74.24 C ATOM 1277 CD2 LEU A 88 0.534 1.587 -3.643 1.00 25.21 C ATOM 0 H LEU A 88 2.100 4.302 -6.387 1.00 21.21 H new ATOM 0 HA LEU A 88 4.254 2.572 -5.596 1.00 10.31 H new ATOM 0 HB2 LEU A 88 3.167 1.541 -3.721 1.00 11.43 H new ATOM 0 HB3 LEU A 88 3.558 3.217 -3.389 1.00 11.43 H new ATOM 0 HG LEU A 88 1.559 2.961 -2.397 1.00 51.44 H new ATOM 0 HD11 LEU A 88 -0.238 4.189 -3.513 1.00 74.24 H new ATOM 0 HD12 LEU A 88 1.358 4.977 -3.549 1.00 74.24 H new ATOM 0 HD13 LEU A 88 0.731 4.170 -5.006 1.00 74.24 H new ATOM 0 HD21 LEU A 88 -0.468 1.819 -3.282 1.00 25.21 H new ATOM 0 HD22 LEU A 88 0.486 1.317 -4.698 1.00 25.21 H new ATOM 0 HD23 LEU A 88 0.941 0.752 -3.073 1.00 25.21 H new ATOM 1289 N LEU A 89 2.907 0.724 -6.650 1.00 72.00 N ATOM 1290 CA LEU A 89 2.139 -0.266 -7.329 1.00 5.11 C ATOM 1291 C LEU A 89 1.327 -0.958 -6.302 1.00 31.31 C ATOM 1292 O LEU A 89 1.823 -1.354 -5.232 1.00 2.43 O ATOM 1293 CB LEU A 89 3.004 -1.388 -8.008 1.00 51.34 C ATOM 1294 CG LEU A 89 3.753 -0.986 -9.294 1.00 44.42 C ATOM 1295 CD1 LEU A 89 2.811 -0.650 -10.465 1.00 43.53 C ATOM 1296 CD2 LEU A 89 4.826 0.073 -9.063 1.00 30.02 C ATOM 0 H LEU A 89 3.870 0.452 -6.451 1.00 72.00 H new ATOM 0 HA LEU A 89 1.570 0.246 -8.105 1.00 5.11 H new ATOM 0 HB2 LEU A 89 3.736 -1.743 -7.282 1.00 51.34 H new ATOM 0 HB3 LEU A 89 2.352 -2.230 -8.240 1.00 51.34 H new ATOM 0 HG LEU A 89 4.294 -1.880 -9.603 1.00 44.42 H new ATOM 0 HD11 LEU A 89 3.401 -0.375 -11.339 1.00 43.53 H new ATOM 0 HD12 LEU A 89 2.198 -1.520 -10.700 1.00 43.53 H new ATOM 0 HD13 LEU A 89 2.166 0.183 -10.186 1.00 43.53 H new ATOM 0 HD21 LEU A 89 5.314 0.309 -10.009 1.00 30.02 H new ATOM 0 HD22 LEU A 89 4.366 0.974 -8.657 1.00 30.02 H new ATOM 0 HD23 LEU A 89 5.566 -0.306 -8.358 1.00 30.02 H new ATOM 1308 N LEU A 90 0.087 -1.157 -6.636 1.00 71.12 N ATOM 1309 CA LEU A 90 -0.780 -1.915 -5.826 1.00 64.00 C ATOM 1310 C LEU A 90 -1.414 -2.903 -6.710 1.00 64.03 C ATOM 1311 O LEU A 90 -1.368 -2.793 -7.938 1.00 33.31 O ATOM 1312 CB LEU A 90 -1.818 -1.126 -4.953 1.00 41.42 C ATOM 1313 CG LEU A 90 -2.751 -0.055 -5.628 1.00 33.54 C ATOM 1314 CD1 LEU A 90 -2.790 1.237 -4.801 1.00 12.02 C ATOM 1315 CD2 LEU A 90 -2.485 0.249 -7.111 1.00 52.34 C ATOM 0 H LEU A 90 -0.341 -0.790 -7.486 1.00 71.12 H new ATOM 0 HA LEU A 90 -0.179 -2.380 -5.044 1.00 64.00 H new ATOM 0 HB2 LEU A 90 -2.462 -1.861 -4.470 1.00 41.42 H new ATOM 0 HB3 LEU A 90 -1.262 -0.621 -4.163 1.00 41.42 H new ATOM 0 HG LEU A 90 -3.732 -0.530 -5.632 1.00 33.54 H new ATOM 0 HD11 LEU A 90 -3.442 1.962 -5.289 1.00 12.02 H new ATOM 0 HD12 LEU A 90 -3.172 1.019 -3.804 1.00 12.02 H new ATOM 0 HD13 LEU A 90 -1.784 1.649 -4.722 1.00 12.02 H new ATOM 0 HD21 LEU A 90 -3.192 1.002 -7.461 1.00 52.34 H new ATOM 0 HD22 LEU A 90 -1.468 0.624 -7.229 1.00 52.34 H new ATOM 0 HD23 LEU A 90 -2.606 -0.662 -7.697 1.00 52.34 H new ATOM 1327 N GLU A 91 -1.935 -3.936 -6.119 1.00 43.23 N ATOM 1328 CA GLU A 91 -2.471 -5.011 -6.832 1.00 41.55 C ATOM 1329 C GLU A 91 -3.790 -5.151 -6.228 1.00 31.12 C ATOM 1330 O GLU A 91 -3.917 -5.060 -4.997 1.00 54.44 O ATOM 1331 CB GLU A 91 -1.670 -6.316 -6.585 1.00 5.42 C ATOM 1332 CG GLU A 91 -2.229 -7.575 -7.257 1.00 72.20 C ATOM 1333 CD GLU A 91 -1.290 -8.713 -6.925 1.00 44.45 C ATOM 1334 OE1 GLU A 91 -1.100 -8.985 -5.729 1.00 52.43 O ATOM 1335 OE2 GLU A 91 -0.762 -9.352 -7.852 1.00 45.41 O ATOM 0 H GLU A 91 -1.991 -4.038 -5.106 1.00 43.23 H new ATOM 0 HA GLU A 91 -2.466 -4.844 -7.909 1.00 41.55 H new ATOM 0 HB2 GLU A 91 -0.648 -6.165 -6.932 1.00 5.42 H new ATOM 0 HB3 GLU A 91 -1.619 -6.492 -5.510 1.00 5.42 H new ATOM 0 HG2 GLU A 91 -3.235 -7.789 -6.897 1.00 72.20 H new ATOM 0 HG3 GLU A 91 -2.299 -7.436 -8.336 1.00 72.20 H new ATOM 1342 N LYS A 92 -4.835 -5.322 -7.058 1.00 64.51 N ATOM 1343 CA LYS A 92 -6.161 -5.446 -6.518 1.00 40.43 C ATOM 1344 C LYS A 92 -6.194 -6.657 -5.676 1.00 64.15 C ATOM 1345 O LYS A 92 -5.615 -7.689 -6.019 1.00 63.12 O ATOM 1346 CB LYS A 92 -7.310 -5.531 -7.553 1.00 31.24 C ATOM 1347 CG LYS A 92 -7.528 -4.252 -8.373 1.00 54.14 C ATOM 1348 CD LYS A 92 -8.369 -3.139 -7.657 1.00 74.01 C ATOM 1349 CE LYS A 92 -7.802 -2.666 -6.310 1.00 25.42 C ATOM 1350 NZ LYS A 92 -8.668 -1.690 -5.636 1.00 0.21 N ATOM 0 H LYS A 92 -4.771 -5.374 -8.075 1.00 64.51 H new ATOM 0 HA LYS A 92 -6.346 -4.525 -5.966 1.00 40.43 H new ATOM 0 HB2 LYS A 92 -7.105 -6.355 -8.237 1.00 31.24 H new ATOM 0 HB3 LYS A 92 -8.235 -5.774 -7.030 1.00 31.24 H new ATOM 0 HG2 LYS A 92 -6.555 -3.837 -8.637 1.00 54.14 H new ATOM 0 HG3 LYS A 92 -8.025 -4.517 -9.306 1.00 54.14 H new ATOM 0 HD2 LYS A 92 -8.449 -2.280 -8.323 1.00 74.01 H new ATOM 0 HD3 LYS A 92 -9.380 -3.514 -7.498 1.00 74.01 H new ATOM 0 HE2 LYS A 92 -7.659 -3.528 -5.659 1.00 25.42 H new ATOM 0 HE3 LYS A 92 -6.820 -2.222 -6.471 1.00 25.42 H new ATOM 0 HZ1 LYS A 92 -8.135 -1.220 -4.877 1.00 0.21 H new ATOM 0 HZ2 LYS A 92 -8.991 -0.980 -6.323 1.00 0.21 H new ATOM 0 HZ3 LYS A 92 -9.491 -2.179 -5.230 1.00 0.21 H new ATOM 1364 N GLY A 93 -6.825 -6.517 -4.522 1.00 74.23 N ATOM 1365 CA GLY A 93 -6.782 -7.535 -3.537 1.00 61.12 C ATOM 1366 C GLY A 93 -7.867 -8.464 -3.843 1.00 13.44 C ATOM 1367 O GLY A 93 -8.549 -8.336 -4.862 1.00 33.50 O ATOM 0 H GLY A 93 -7.371 -5.696 -4.262 1.00 74.23 H new ATOM 0 HA2 GLY A 93 -5.820 -8.046 -3.551 1.00 61.12 H new ATOM 0 HA3 GLY A 93 -6.904 -7.113 -2.539 1.00 61.12 H new