USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 845 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 94 SER OG : rot -61:sc= 0.216 USER MOD Set 1.2: A 112 GLN :FLIP amide:sc= -4.13! C(o=-5!,f=-3.9!) USER MOD Set 2.1: A 88 THR OG1 : rot -48:sc= -0.953 USER MOD Set 2.2: A 90 ASN : amide:sc= -0.571 K(o=-1.5,f=-8.8!) USER MOD Set 3.1: A 79 ASN : amide:sc= -1.7 K(o=-2.1,f=-8.2!) USER MOD Set 3.2: A 81 SER OG : rot 107:sc= -0.408 USER MOD Set 4.1: A 61 ASN : amide:sc= -0.507 K(o=-0.52,f=-1.4) USER MOD Set 4.2: A 63 GLN : amide:sc=-0.00858 K(o=-0.52,f=-2.7) USER MOD Set 5.1: A 19 ASN : amide:sc= -1.45! C(o=-2.4!,f=-2.9!) USER MOD Set 5.2: A 116 HIS : no HE2:sc= -0.939 K(o=-2.4,f=-7.7!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0756 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -0.319 K(o=-0.32,f=-1) USER MOD Single : A 32 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.54) USER MOD Single : A 35 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1.3) USER MOD Single : A 40 TYR OH : rot -142:sc= 0.722 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.273 F(o=-1.6,f=-0.27) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0262 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.351 K(o=-0.35,f=-1.7) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -20:sc= 1.28 USER MOD Single : A 71 SER OG : rot -52:sc= 0.00575 USER MOD Single : A 72 ASN : amide:sc= -0.381 K(o=-0.38,f=-2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -111:sc= -0.432 (180deg=-1.97) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 112:sc= 1.23 USER MOD Single : A 95 TYR OH : rot -6:sc= 1.22 USER MOD Single : A 96 THR OG1 : rot 63:sc= 0.868 USER MOD Single : A 98 GLN : amide:sc= -0.72 X(o=-0.72,f=-0.58) USER MOD Single : A 101 LYS NZ :NH3+ -135:sc= -1.83 (180deg=-3.41!) USER MOD Single : A 103 ASN : amide:sc= -0.781 K(o=-0.78,f=-2) USER MOD Single : A 105 MET CE :methyl -169:sc= 0 (180deg=-0.0837) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00166 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 1.385 15.309 8.895 1.00 0.00 N ATOM 91 CA GLN A 10 1.771 14.508 7.740 1.00 0.00 C ATOM 92 C GLN A 10 0.771 13.381 7.501 1.00 0.00 C ATOM 93 O GLN A 10 0.418 12.644 8.422 1.00 0.00 O ATOM 94 CB GLN A 10 3.172 13.928 7.941 1.00 0.00 C ATOM 95 CG GLN A 10 3.304 13.075 9.192 1.00 0.00 C ATOM 96 CD GLN A 10 4.558 12.222 9.187 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.671 12.735 9.069 1.00 0.00 O ATOM 98 NE2 GLN A 10 4.383 10.912 9.315 1.00 0.00 N ATOM 0 HA GLN A 10 1.776 15.157 6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.435 13.326 7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.891 14.746 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.313 13.722 10.069 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.430 12.429 9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.442 10.530 9.410 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.190 10.288 9.318 1.00 0.00 H new ATOM 107 N LEU A 11 0.318 13.254 6.259 1.00 0.00 N ATOM 108 CA LEU A 11 -0.643 12.217 5.898 1.00 0.00 C ATOM 109 C LEU A 11 -0.269 10.882 6.536 1.00 0.00 C ATOM 110 O LEU A 11 0.626 10.183 6.060 1.00 0.00 O ATOM 111 CB LEU A 11 -0.712 12.066 4.377 1.00 0.00 C ATOM 112 CG LEU A 11 -2.050 11.590 3.810 1.00 0.00 C ATOM 113 CD1 LEU A 11 -3.205 12.307 4.493 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.100 11.807 2.305 1.00 0.00 C ATOM 0 H LEU A 11 0.600 13.856 5.485 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.622 12.517 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.470 13.028 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.062 11.364 4.066 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.146 10.522 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.149 11.955 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.181 12.099 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.114 13.381 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.059 11.462 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.981 12.868 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.295 11.246 1.830 1.00 0.00 H new ATOM 126 N THR A 12 -0.962 10.534 7.615 1.00 0.00 N ATOM 127 CA THR A 12 -0.704 9.283 8.318 1.00 0.00 C ATOM 128 C THR A 12 -1.949 8.405 8.352 1.00 0.00 C ATOM 129 O THR A 12 -3.045 8.853 8.015 1.00 0.00 O ATOM 130 CB THR A 12 -0.229 9.538 9.761 1.00 0.00 C ATOM 131 OG1 THR A 12 0.282 8.327 10.329 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.368 10.065 10.620 1.00 0.00 C ATOM 0 H THR A 12 -1.706 11.101 8.022 1.00 0.00 H new ATOM 0 HA THR A 12 0.085 8.768 7.769 1.00 0.00 H new ATOM 0 HB THR A 12 0.561 10.288 9.733 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.584 8.497 11.246 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.009 10.238 11.635 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.736 11.002 10.201 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.176 9.334 10.641 1.00 0.00 H new ATOM 140 N ILE A 13 -1.773 7.153 8.762 1.00 0.00 N ATOM 141 CA ILE A 13 -2.884 6.213 8.841 1.00 0.00 C ATOM 142 C ILE A 13 -2.764 5.323 10.074 1.00 0.00 C ATOM 143 O ILE A 13 -1.693 4.794 10.367 1.00 0.00 O ATOM 144 CB ILE A 13 -2.960 5.324 7.586 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.549 6.109 6.412 1.00 0.00 C ATOM 146 CG2 ILE A 13 -3.790 4.080 7.867 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.337 5.442 5.071 1.00 0.00 C ATOM 0 H ILE A 13 -0.872 6.767 9.044 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.795 6.807 8.911 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.950 5.011 7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.618 6.245 6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.102 7.103 6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.834 3.462 6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.332 3.512 8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.799 4.374 8.155 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.780 6.054 4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.269 5.331 4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.809 4.459 5.075 1.00 0.00 H new ATOM 159 N GLU A 14 -3.872 5.162 10.791 1.00 0.00 N ATOM 160 CA GLU A 14 -3.891 4.335 11.992 1.00 0.00 C ATOM 161 C GLU A 14 -4.978 3.269 11.901 1.00 0.00 C ATOM 162 O GLU A 14 -6.168 3.582 11.867 1.00 0.00 O ATOM 163 CB GLU A 14 -4.114 5.203 13.232 1.00 0.00 C ATOM 164 CG GLU A 14 -4.141 4.414 14.530 1.00 0.00 C ATOM 165 CD GLU A 14 -4.783 5.184 15.668 1.00 0.00 C ATOM 166 OE1 GLU A 14 -4.123 6.091 16.217 1.00 0.00 O ATOM 167 OE2 GLU A 14 -5.945 4.881 16.009 1.00 0.00 O ATOM 0 H GLU A 14 -4.767 5.593 10.561 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.925 3.837 12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.324 5.952 13.288 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.056 5.741 13.124 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.686 3.483 14.374 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.122 4.144 14.808 1.00 0.00 H new ATOM 174 N ALA A 15 -4.561 2.008 11.862 1.00 0.00 N ATOM 175 CA ALA A 15 -5.498 0.895 11.777 1.00 0.00 C ATOM 176 C ALA A 15 -6.408 0.849 13.000 1.00 0.00 C ATOM 177 O ALA A 15 -5.948 0.980 14.134 1.00 0.00 O ATOM 178 CB ALA A 15 -4.745 -0.419 11.628 1.00 0.00 C ATOM 0 H ALA A 15 -3.580 1.732 11.888 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.123 1.045 10.897 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.457 -1.242 11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.142 -0.392 10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.096 -0.566 12.491 1.00 0.00 H new ATOM 184 N VAL A 16 -7.703 0.663 12.762 1.00 0.00 N ATOM 185 CA VAL A 16 -8.678 0.600 13.844 1.00 0.00 C ATOM 186 C VAL A 16 -9.691 -0.514 13.606 1.00 0.00 C ATOM 187 O VAL A 16 -10.567 -0.418 12.746 1.00 0.00 O ATOM 188 CB VAL A 16 -9.428 1.936 14.002 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.465 1.838 15.111 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.449 3.068 14.274 1.00 0.00 C ATOM 0 H VAL A 16 -8.101 0.553 11.829 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.123 0.393 14.759 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.948 2.153 13.069 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.985 2.791 15.208 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.184 1.055 14.869 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.970 1.597 16.052 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.996 4.004 14.383 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.899 2.861 15.192 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.749 3.151 13.442 1.00 0.00 H new ATOM 200 N PRO A 17 -9.571 -1.599 14.387 1.00 0.00 N ATOM 201 CA PRO A 17 -8.533 -1.725 15.413 1.00 0.00 C ATOM 202 C PRO A 17 -7.140 -1.882 14.812 1.00 0.00 C ATOM 203 O PRO A 17 -6.975 -1.875 13.593 1.00 0.00 O ATOM 204 CB PRO A 17 -8.935 -2.992 16.171 1.00 0.00 C ATOM 205 CG PRO A 17 -9.723 -3.787 15.188 1.00 0.00 C ATOM 206 CD PRO A 17 -10.441 -2.786 14.326 1.00 0.00 C ATOM 0 HA PRO A 17 -8.472 -0.837 16.042 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.059 -3.543 16.514 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.528 -2.754 17.054 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.071 -4.422 14.588 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.430 -4.444 15.695 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.558 -3.146 13.304 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.440 -2.572 14.705 1.00 0.00 H new ATOM 214 N SER A 18 -6.140 -2.026 15.677 1.00 0.00 N ATOM 215 CA SER A 18 -4.761 -2.182 15.231 1.00 0.00 C ATOM 216 C SER A 18 -4.412 -3.656 15.050 1.00 0.00 C ATOM 217 O SER A 18 -3.545 -4.006 14.250 1.00 0.00 O ATOM 218 CB SER A 18 -3.802 -1.540 16.235 1.00 0.00 C ATOM 219 OG SER A 18 -2.583 -1.172 15.613 1.00 0.00 O ATOM 0 H SER A 18 -6.260 -2.038 16.690 1.00 0.00 H new ATOM 0 HA SER A 18 -4.658 -1.681 14.269 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.269 -0.660 16.677 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.603 -2.237 17.049 1.00 0.00 H new ATOM 0 HG SER A 18 -1.988 -0.763 16.276 1.00 0.00 H new ATOM 225 N ASN A 19 -5.096 -4.516 15.799 1.00 0.00 N ATOM 226 CA ASN A 19 -4.859 -5.953 15.722 1.00 0.00 C ATOM 227 C ASN A 19 -6.177 -6.719 15.668 1.00 0.00 C ATOM 228 O ASN A 19 -6.712 -7.127 16.698 1.00 0.00 O ATOM 229 CB ASN A 19 -4.033 -6.420 16.923 1.00 0.00 C ATOM 230 CG ASN A 19 -4.798 -6.310 18.228 1.00 0.00 C ATOM 231 OD1 ASN A 19 -5.354 -5.259 18.548 1.00 0.00 O ATOM 232 ND2 ASN A 19 -4.829 -7.398 18.988 1.00 0.00 N ATOM 0 H ASN A 19 -5.818 -4.243 16.465 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.303 -6.156 14.807 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.727 -7.455 16.770 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.122 -5.825 16.988 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.328 -7.385 19.877 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.354 -8.247 18.683 1.00 0.00 H new ATOM 239 N ALA A 20 -6.694 -6.911 14.459 1.00 0.00 N ATOM 240 CA ALA A 20 -7.948 -7.630 14.270 1.00 0.00 C ATOM 241 C ALA A 20 -7.701 -9.123 14.080 1.00 0.00 C ATOM 242 O ALA A 20 -6.559 -9.561 13.946 1.00 0.00 O ATOM 243 CB ALA A 20 -8.707 -7.064 13.079 1.00 0.00 C ATOM 0 H ALA A 20 -6.264 -6.579 13.596 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.552 -7.499 15.168 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.641 -7.611 12.950 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.924 -6.010 13.253 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.100 -7.165 12.179 1.00 0.00 H new ATOM 249 N ALA A 21 -8.779 -9.900 14.071 1.00 0.00 N ATOM 250 CA ALA A 21 -8.679 -11.344 13.896 1.00 0.00 C ATOM 251 C ALA A 21 -9.280 -11.779 12.564 1.00 0.00 C ATOM 252 O ALA A 21 -9.831 -10.963 11.826 1.00 0.00 O ATOM 253 CB ALA A 21 -9.366 -12.063 15.047 1.00 0.00 C ATOM 0 H ALA A 21 -9.732 -9.554 14.183 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.623 -11.612 13.892 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.284 -13.140 14.904 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.889 -11.784 15.987 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.418 -11.780 15.077 1.00 0.00 H new ATOM 259 N GLU A 22 -9.169 -13.069 12.263 1.00 0.00 N ATOM 260 CA GLU A 22 -9.701 -13.610 11.018 1.00 0.00 C ATOM 261 C GLU A 22 -11.215 -13.432 10.950 1.00 0.00 C ATOM 262 O GLU A 22 -11.953 -13.984 11.765 1.00 0.00 O ATOM 263 CB GLU A 22 -9.344 -15.092 10.887 1.00 0.00 C ATOM 264 CG GLU A 22 -8.020 -15.340 10.185 1.00 0.00 C ATOM 265 CD GLU A 22 -7.687 -16.815 10.070 1.00 0.00 C ATOM 266 OE1 GLU A 22 -7.911 -17.552 11.053 1.00 0.00 O ATOM 267 OE2 GLU A 22 -7.204 -17.233 8.997 1.00 0.00 O ATOM 0 H GLU A 22 -8.716 -13.758 12.863 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.251 -13.061 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.307 -15.537 11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.137 -15.601 10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.054 -14.900 9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.224 -14.833 10.730 1.00 0.00 H new ATOM 274 N GLY A 23 -11.671 -12.656 9.971 1.00 0.00 N ATOM 275 CA GLY A 23 -13.094 -12.418 9.815 1.00 0.00 C ATOM 276 C GLY A 23 -13.506 -11.038 10.289 1.00 0.00 C ATOM 277 O GLY A 23 -14.526 -10.503 9.853 1.00 0.00 O ATOM 0 H GLY A 23 -11.080 -12.188 9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.366 -12.535 8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.649 -13.172 10.374 1.00 0.00 H new ATOM 281 N LYS A 24 -12.714 -10.462 11.186 1.00 0.00 N ATOM 282 CA LYS A 24 -13.001 -9.136 11.721 1.00 0.00 C ATOM 283 C LYS A 24 -12.757 -8.060 10.669 1.00 0.00 C ATOM 284 O LYS A 24 -12.291 -8.350 9.567 1.00 0.00 O ATOM 285 CB LYS A 24 -12.137 -8.863 12.955 1.00 0.00 C ATOM 286 CG LYS A 24 -12.505 -9.717 14.156 1.00 0.00 C ATOM 287 CD LYS A 24 -13.774 -9.219 14.827 1.00 0.00 C ATOM 288 CE LYS A 24 -14.424 -10.306 15.668 1.00 0.00 C ATOM 289 NZ LYS A 24 -15.277 -9.737 16.748 1.00 0.00 N ATOM 0 H LYS A 24 -11.868 -10.893 11.558 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.052 -9.107 12.007 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.091 -9.038 12.702 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.228 -7.811 13.226 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.641 -10.751 13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.685 -9.709 14.874 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.541 -8.361 15.457 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.477 -8.875 14.068 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.029 -10.947 15.027 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.651 -10.935 16.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.702 -10.510 17.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.695 -9.145 17.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.031 -9.158 16.326 1.00 0.00 H new ATOM 303 N GLU A 25 -13.074 -6.816 11.016 1.00 0.00 N ATOM 304 CA GLU A 25 -12.887 -5.697 10.100 1.00 0.00 C ATOM 305 C GLU A 25 -11.834 -4.728 10.631 1.00 0.00 C ATOM 306 O GLU A 25 -11.662 -4.583 11.841 1.00 0.00 O ATOM 307 CB GLU A 25 -14.211 -4.960 9.884 1.00 0.00 C ATOM 308 CG GLU A 25 -15.410 -5.885 9.763 1.00 0.00 C ATOM 309 CD GLU A 25 -16.713 -5.203 10.131 1.00 0.00 C ATOM 310 OE1 GLU A 25 -16.770 -4.578 11.211 1.00 0.00 O ATOM 311 OE2 GLU A 25 -17.675 -5.294 9.341 1.00 0.00 O ATOM 0 H GLU A 25 -13.461 -6.558 11.924 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.541 -6.095 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.375 -4.274 10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.137 -4.355 8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.475 -6.257 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.263 -6.751 10.408 1.00 0.00 H new ATOM 318 N VAL A 26 -11.131 -4.068 9.716 1.00 0.00 N ATOM 319 CA VAL A 26 -10.095 -3.113 10.091 1.00 0.00 C ATOM 320 C VAL A 26 -10.247 -1.807 9.320 1.00 0.00 C ATOM 321 O VAL A 26 -10.054 -1.764 8.105 1.00 0.00 O ATOM 322 CB VAL A 26 -8.687 -3.684 9.839 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.627 -2.623 10.092 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.446 -4.909 10.708 1.00 0.00 C ATOM 0 H VAL A 26 -11.260 -4.177 8.710 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.215 -2.919 11.157 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.619 -3.989 8.795 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.639 -3.045 9.909 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.791 -1.778 9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.691 -2.284 11.126 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.446 -5.300 10.517 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.533 -4.633 11.759 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.186 -5.674 10.472 1.00 0.00 H new ATOM 334 N LEU A 27 -10.595 -0.742 10.035 1.00 0.00 N ATOM 335 CA LEU A 27 -10.773 0.568 9.418 1.00 0.00 C ATOM 336 C LEU A 27 -9.491 1.391 9.507 1.00 0.00 C ATOM 337 O LEU A 27 -9.041 1.742 10.599 1.00 0.00 O ATOM 338 CB LEU A 27 -11.922 1.319 10.092 1.00 0.00 C ATOM 339 CG LEU A 27 -12.055 2.801 9.738 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.859 2.973 8.458 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.702 3.567 10.883 1.00 0.00 C ATOM 0 H LEU A 27 -10.759 -0.760 11.042 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.014 0.417 8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.856 0.819 9.835 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.801 1.233 11.172 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.057 3.207 9.574 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.944 4.034 8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.356 2.458 7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.855 2.551 8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.789 4.620 10.614 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.694 3.160 11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.087 3.471 11.778 1.00 0.00 H new ATOM 353 N LEU A 28 -8.909 1.697 8.353 1.00 0.00 N ATOM 354 CA LEU A 28 -7.680 2.481 8.300 1.00 0.00 C ATOM 355 C LEU A 28 -7.988 3.974 8.248 1.00 0.00 C ATOM 356 O LEU A 28 -8.222 4.533 7.175 1.00 0.00 O ATOM 357 CB LEU A 28 -6.847 2.077 7.082 1.00 0.00 C ATOM 358 CG LEU A 28 -6.281 0.657 7.097 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.627 0.329 5.764 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.286 0.491 8.236 1.00 0.00 C ATOM 0 H LEU A 28 -9.268 1.414 7.441 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.109 2.279 9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.464 2.191 6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.017 2.777 6.987 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.104 -0.040 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.230 -0.686 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.367 0.406 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.815 1.031 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.894 -0.526 8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.466 1.197 8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.785 0.683 9.186 1.00 0.00 H new ATOM 372 N LEU A 29 -7.985 4.614 9.411 1.00 0.00 N ATOM 373 CA LEU A 29 -8.262 6.044 9.499 1.00 0.00 C ATOM 374 C LEU A 29 -7.101 6.858 8.936 1.00 0.00 C ATOM 375 O LEU A 29 -5.961 6.396 8.907 1.00 0.00 O ATOM 376 CB LEU A 29 -8.524 6.445 10.951 1.00 0.00 C ATOM 377 CG LEU A 29 -9.976 6.348 11.422 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.064 6.558 12.926 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.843 7.360 10.689 1.00 0.00 C ATOM 0 H LEU A 29 -7.794 4.166 10.307 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.152 6.254 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.911 5.817 11.597 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.186 7.472 11.090 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.346 5.349 11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.104 6.486 13.243 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.475 5.795 13.435 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.675 7.544 13.179 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.873 7.277 11.037 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.474 8.366 10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.805 7.163 9.618 1.00 0.00 H new ATOM 391 N VAL A 30 -7.400 8.075 8.491 1.00 0.00 N ATOM 392 CA VAL A 30 -6.381 8.956 7.933 1.00 0.00 C ATOM 393 C VAL A 30 -6.359 10.298 8.655 1.00 0.00 C ATOM 394 O VAL A 30 -7.374 10.992 8.730 1.00 0.00 O ATOM 395 CB VAL A 30 -6.611 9.198 6.429 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.349 9.738 5.775 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.069 7.917 5.748 1.00 0.00 C ATOM 0 H VAL A 30 -8.339 8.473 8.506 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.422 8.457 8.071 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.397 9.944 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.531 9.902 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.070 10.681 6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.540 9.018 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.227 8.106 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.307 7.147 5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.002 7.579 6.199 1.00 0.00 H new ATOM 407 N HIS A 31 -5.195 10.661 9.185 1.00 0.00 N ATOM 408 CA HIS A 31 -5.041 11.922 9.901 1.00 0.00 C ATOM 409 C HIS A 31 -4.186 12.900 9.100 1.00 0.00 C ATOM 410 O HIS A 31 -3.461 12.503 8.189 1.00 0.00 O ATOM 411 CB HIS A 31 -4.410 11.680 11.273 1.00 0.00 C ATOM 412 CG HIS A 31 -4.902 10.436 11.947 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.237 10.189 12.190 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.229 9.365 12.428 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.363 9.021 12.793 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.160 8.500 12.949 1.00 0.00 N ATOM 0 H HIS A 31 -4.345 10.100 9.132 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.031 12.358 10.037 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.328 11.619 11.160 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.616 12.537 11.915 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.007 10.811 11.943 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.159 9.218 12.406 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.293 8.569 13.106 1.00 0.00 H new ATOM 425 N ASN A 32 -4.277 14.179 9.447 1.00 0.00 N ATOM 426 CA ASN A 32 -3.513 15.214 8.760 1.00 0.00 C ATOM 427 C ASN A 32 -3.871 15.261 7.278 1.00 0.00 C ATOM 428 O ASN A 32 -3.033 15.586 6.435 1.00 0.00 O ATOM 429 CB ASN A 32 -2.013 14.964 8.926 1.00 0.00 C ATOM 430 CG ASN A 32 -1.525 15.285 10.326 1.00 0.00 C ATOM 431 OD1 ASN A 32 -1.916 16.292 10.916 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.666 14.426 10.864 1.00 0.00 N ATOM 0 H ASN A 32 -4.872 14.524 10.200 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.766 16.175 9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.794 13.921 8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.464 15.570 8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.303 14.588 11.803 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.369 13.604 10.338 1.00 0.00 H new ATOM 439 N LEU A 33 -5.120 14.933 6.966 1.00 0.00 N ATOM 440 CA LEU A 33 -5.590 14.938 5.585 1.00 0.00 C ATOM 441 C LEU A 33 -5.333 16.290 4.927 1.00 0.00 C ATOM 442 O LEU A 33 -5.133 17.305 5.594 1.00 0.00 O ATOM 443 CB LEU A 33 -7.083 14.609 5.533 1.00 0.00 C ATOM 444 CG LEU A 33 -7.441 13.124 5.453 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.933 12.922 5.670 1.00 0.00 C ATOM 446 CD2 LEU A 33 -7.011 12.543 4.115 1.00 0.00 C ATOM 0 H LEU A 33 -5.825 14.660 7.650 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.036 14.176 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.558 15.030 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.516 15.114 4.669 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.906 12.598 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.169 11.860 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.212 13.300 6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.489 13.461 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.274 11.486 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.518 13.073 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.933 12.653 4.000 1.00 0.00 H new ATOM 458 N PRO A 34 -5.339 16.306 3.586 1.00 0.00 N ATOM 459 CA PRO A 34 -5.111 17.527 2.808 1.00 0.00 C ATOM 460 C PRO A 34 -6.269 18.513 2.923 1.00 0.00 C ATOM 461 O PRO A 34 -7.185 18.317 3.720 1.00 0.00 O ATOM 462 CB PRO A 34 -4.986 17.014 1.371 1.00 0.00 C ATOM 463 CG PRO A 34 -5.748 15.734 1.358 1.00 0.00 C ATOM 464 CD PRO A 34 -5.571 15.134 2.725 1.00 0.00 C ATOM 0 HA PRO A 34 -4.236 18.075 3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.399 17.728 0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.943 16.857 1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.802 15.909 1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.372 15.063 0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.454 14.576 3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.730 14.442 2.754 1.00 0.00 H new ATOM 472 N GLN A 35 -6.220 19.572 2.121 1.00 0.00 N ATOM 473 CA GLN A 35 -7.265 20.589 2.135 1.00 0.00 C ATOM 474 C GLN A 35 -8.444 20.169 1.263 1.00 0.00 C ATOM 475 O GLN A 35 -9.589 20.157 1.714 1.00 0.00 O ATOM 476 CB GLN A 35 -6.709 21.929 1.651 1.00 0.00 C ATOM 477 CG GLN A 35 -6.162 21.884 0.233 1.00 0.00 C ATOM 478 CD GLN A 35 -5.433 23.156 -0.152 1.00 0.00 C ATOM 479 OE1 GLN A 35 -5.084 23.969 0.705 1.00 0.00 O ATOM 480 NE2 GLN A 35 -5.197 23.336 -1.446 1.00 0.00 N ATOM 0 H GLN A 35 -5.469 19.748 1.454 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.616 20.699 3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.497 22.680 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.917 22.250 2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.483 21.037 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.983 21.715 -0.464 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.504 22.637 -2.122 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.709 24.173 -1.764 1.00 0.00 H new ATOM 489 N ASP A 36 -8.155 19.825 0.012 1.00 0.00 N ATOM 490 CA ASP A 36 -9.191 19.404 -0.923 1.00 0.00 C ATOM 491 C ASP A 36 -8.761 18.153 -1.684 1.00 0.00 C ATOM 492 O ASP A 36 -8.176 18.225 -2.765 1.00 0.00 O ATOM 493 CB ASP A 36 -9.508 20.530 -1.908 1.00 0.00 C ATOM 494 CG ASP A 36 -9.873 21.825 -1.208 1.00 0.00 C ATOM 495 OD1 ASP A 36 -10.964 21.885 -0.602 1.00 0.00 O ATOM 496 OD2 ASP A 36 -9.068 22.778 -1.266 1.00 0.00 O ATOM 0 H ASP A 36 -7.212 19.830 -0.377 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.088 19.169 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.645 20.699 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.332 20.224 -2.553 1.00 0.00 H new ATOM 501 N PRO A 37 -9.055 16.979 -1.106 1.00 0.00 N ATOM 502 CA PRO A 37 -8.707 15.690 -1.712 1.00 0.00 C ATOM 503 C PRO A 37 -9.531 15.394 -2.960 1.00 0.00 C ATOM 504 O PRO A 37 -10.600 14.788 -2.880 1.00 0.00 O ATOM 505 CB PRO A 37 -9.028 14.681 -0.607 1.00 0.00 C ATOM 506 CG PRO A 37 -10.066 15.349 0.227 1.00 0.00 C ATOM 507 CD PRO A 37 -9.750 16.819 0.182 1.00 0.00 C ATOM 0 HA PRO A 37 -7.669 15.663 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.397 13.743 -1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.142 14.442 -0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.065 15.152 -0.162 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.043 14.976 1.251 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.654 17.426 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.120 17.120 1.019 1.00 0.00 H new ATOM 515 N ARG A 38 -9.028 15.826 -4.112 1.00 0.00 N ATOM 516 CA ARG A 38 -9.719 15.607 -5.377 1.00 0.00 C ATOM 517 C ARG A 38 -10.228 14.172 -5.478 1.00 0.00 C ATOM 518 O ARG A 38 -11.189 13.892 -6.193 1.00 0.00 O ATOM 519 CB ARG A 38 -8.788 15.914 -6.551 1.00 0.00 C ATOM 520 CG ARG A 38 -9.518 16.357 -7.808 1.00 0.00 C ATOM 521 CD ARG A 38 -8.556 16.926 -8.839 1.00 0.00 C ATOM 522 NE ARG A 38 -9.232 17.800 -9.795 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.858 17.358 -10.880 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.895 16.059 -11.145 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.450 18.215 -11.701 1.00 0.00 N ATOM 0 H ARG A 38 -8.145 16.329 -4.195 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.575 16.281 -5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.088 16.695 -6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.198 15.026 -6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.053 15.510 -8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.264 17.109 -7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.769 17.484 -8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.073 16.108 -9.374 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.223 18.805 -9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.442 15.397 -10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.376 15.722 -11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.425 19.215 -11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.930 17.875 -12.534 1.00 0.00 H new ATOM 539 N GLY A 39 -9.574 13.266 -4.757 1.00 0.00 N ATOM 540 CA GLY A 39 -9.973 11.871 -4.781 1.00 0.00 C ATOM 541 C GLY A 39 -8.989 10.974 -4.058 1.00 0.00 C ATOM 542 O GLY A 39 -7.789 11.251 -4.031 1.00 0.00 O ATOM 0 H GLY A 39 -8.775 13.473 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.957 11.770 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.068 11.541 -5.816 1.00 0.00 H new ATOM 546 N TYR A 40 -9.495 9.896 -3.468 1.00 0.00 N ATOM 547 CA TYR A 40 -8.652 8.958 -2.737 1.00 0.00 C ATOM 548 C TYR A 40 -8.292 7.758 -3.608 1.00 0.00 C ATOM 549 O TYR A 40 -9.054 7.366 -4.490 1.00 0.00 O ATOM 550 CB TYR A 40 -9.361 8.486 -1.466 1.00 0.00 C ATOM 551 CG TYR A 40 -9.989 9.608 -0.671 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.220 10.661 -0.192 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.351 9.615 -0.399 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.789 11.688 0.536 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.930 10.639 0.326 1.00 0.00 C ATOM 556 CZ TYR A 40 -11.144 11.673 0.792 1.00 0.00 C ATOM 557 OH TYR A 40 -11.716 12.694 1.515 1.00 0.00 O ATOM 0 H TYR A 40 -10.485 9.651 -3.482 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.732 9.473 -2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.134 7.767 -1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.645 7.961 -0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.159 10.677 -0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.968 8.806 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.176 12.498 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.991 10.630 0.527 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.412 12.330 2.101 1.00 0.00 H new ATOM 567 N ASN A 41 -7.124 7.178 -3.351 1.00 0.00 N ATOM 568 CA ASN A 41 -6.661 6.022 -4.110 1.00 0.00 C ATOM 569 C ASN A 41 -5.868 5.069 -3.221 1.00 0.00 C ATOM 570 O ASN A 41 -4.801 5.419 -2.715 1.00 0.00 O ATOM 571 CB ASN A 41 -5.798 6.473 -5.290 1.00 0.00 C ATOM 572 CG ASN A 41 -6.624 7.046 -6.425 1.00 0.00 C ATOM 573 OD1 ASN A 41 -6.886 8.347 -6.368 1.00 0.00 O flip ATOM 574 ND2 ASN A 41 -7.022 6.328 -7.343 1.00 0.00 N flip ATOM 0 H ASN A 41 -6.481 7.490 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.536 5.494 -4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.085 7.223 -4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.219 5.626 -5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.797 5.333 -7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.576 6.728 -8.100 1.00 0.00 H new ATOM 581 N TRP A 42 -6.396 3.865 -3.035 1.00 0.00 N ATOM 582 CA TRP A 42 -5.737 2.861 -2.207 1.00 0.00 C ATOM 583 C TRP A 42 -4.983 1.855 -3.069 1.00 0.00 C ATOM 584 O TRP A 42 -5.275 1.696 -4.255 1.00 0.00 O ATOM 585 CB TRP A 42 -6.763 2.137 -1.335 1.00 0.00 C ATOM 586 CG TRP A 42 -7.217 2.944 -0.157 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.284 3.795 -0.109 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.616 2.978 1.142 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.383 4.356 1.142 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.372 3.870 1.928 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.515 2.340 1.719 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.059 4.139 3.258 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.205 2.608 3.038 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.975 3.501 3.796 1.00 0.00 C ATOM 0 H TRP A 42 -7.278 3.560 -3.446 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.019 3.370 -1.564 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.629 1.878 -1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.332 1.201 -0.980 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.952 3.998 -0.933 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.094 5.025 1.437 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.917 1.649 1.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.651 4.827 3.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.355 2.121 3.493 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.707 3.689 4.825 1.00 0.00 H new ATOM 605 N TYR A 43 -4.012 1.177 -2.467 1.00 0.00 N ATOM 606 CA TYR A 43 -3.215 0.187 -3.180 1.00 0.00 C ATOM 607 C TYR A 43 -2.741 -0.915 -2.237 1.00 0.00 C ATOM 608 O TYR A 43 -2.862 -0.799 -1.017 1.00 0.00 O ATOM 609 CB TYR A 43 -2.011 0.855 -3.847 1.00 0.00 C ATOM 610 CG TYR A 43 -2.385 1.988 -4.776 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.788 3.219 -4.275 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.337 1.826 -6.155 1.00 0.00 C ATOM 613 CE1 TYR A 43 -3.131 4.257 -5.119 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.677 2.859 -7.008 1.00 0.00 C ATOM 615 CZ TYR A 43 -3.074 4.072 -6.485 1.00 0.00 C ATOM 616 OH TYR A 43 -3.415 5.103 -7.331 1.00 0.00 O ATOM 0 H TYR A 43 -3.758 1.295 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.845 -0.263 -3.947 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.343 1.235 -3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.455 0.105 -4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.834 3.367 -3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.029 0.877 -6.567 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.442 5.208 -4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.632 2.717 -8.078 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.320 4.808 -8.261 1.00 0.00 H new ATOM 626 N LYS A 44 -2.199 -1.984 -2.810 1.00 0.00 N ATOM 627 CA LYS A 44 -1.704 -3.107 -2.023 1.00 0.00 C ATOM 628 C LYS A 44 -0.181 -3.172 -2.067 1.00 0.00 C ATOM 629 O LYS A 44 0.408 -3.457 -3.108 1.00 0.00 O ATOM 630 CB LYS A 44 -2.297 -4.419 -2.541 1.00 0.00 C ATOM 631 CG LYS A 44 -2.419 -5.494 -1.474 1.00 0.00 C ATOM 632 CD LYS A 44 -2.447 -6.885 -2.085 1.00 0.00 C ATOM 633 CE LYS A 44 -1.045 -7.380 -2.409 1.00 0.00 C ATOM 634 NZ LYS A 44 -1.049 -8.796 -2.869 1.00 0.00 N ATOM 0 H LYS A 44 -2.091 -2.096 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.014 -2.959 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.283 -4.222 -2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.674 -4.794 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.581 -5.417 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.328 -5.332 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.928 -7.577 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.049 -6.872 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.607 -6.748 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.414 -7.287 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.076 -9.095 -3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.444 -9.403 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.630 -8.881 -3.727 1.00 0.00 H new ATOM 648 N GLY A 45 0.451 -2.907 -0.927 1.00 0.00 N ATOM 649 CA GLY A 45 1.900 -2.943 -0.857 1.00 0.00 C ATOM 650 C GLY A 45 2.498 -1.587 -0.536 1.00 0.00 C ATOM 651 O GLY A 45 1.852 -0.750 0.091 1.00 0.00 O ATOM 0 H GLY A 45 -0.015 -2.668 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.206 -3.661 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.298 -3.297 -1.808 1.00 0.00 H new ATOM 655 N GLU A 46 3.738 -1.372 -0.967 1.00 0.00 N ATOM 656 CA GLU A 46 4.423 -0.110 -0.719 1.00 0.00 C ATOM 657 C GLU A 46 4.672 0.640 -2.025 1.00 0.00 C ATOM 658 O GLU A 46 5.722 1.256 -2.211 1.00 0.00 O ATOM 659 CB GLU A 46 5.751 -0.357 0.000 1.00 0.00 C ATOM 660 CG GLU A 46 5.587 -0.784 1.449 1.00 0.00 C ATOM 661 CD GLU A 46 6.894 -1.228 2.078 1.00 0.00 C ATOM 662 OE1 GLU A 46 7.680 -0.351 2.493 1.00 0.00 O ATOM 663 OE2 GLU A 46 7.130 -2.452 2.153 1.00 0.00 O ATOM 0 H GLU A 46 4.287 -2.055 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 46 3.782 0.502 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.307 -1.126 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.349 0.553 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.175 0.045 2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.866 -1.600 1.504 1.00 0.00 H new ATOM 670 N THR A 47 3.699 0.582 -2.929 1.00 0.00 N ATOM 671 CA THR A 47 3.812 1.252 -4.218 1.00 0.00 C ATOM 672 C THR A 47 2.448 1.717 -4.717 1.00 0.00 C ATOM 673 O THR A 47 1.427 1.087 -4.441 1.00 0.00 O ATOM 674 CB THR A 47 4.446 0.331 -5.277 1.00 0.00 C ATOM 675 OG1 THR A 47 3.775 -0.934 -5.291 1.00 0.00 O ATOM 676 CG2 THR A 47 5.927 0.122 -4.995 1.00 0.00 C ATOM 0 H THR A 47 2.823 0.077 -2.792 1.00 0.00 H new ATOM 0 HA THR A 47 4.457 2.118 -4.068 1.00 0.00 H new ATOM 0 HB THR A 47 4.341 0.808 -6.251 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.183 -1.513 -5.968 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.354 -0.532 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.440 1.083 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.049 -0.336 -4.013 1.00 0.00 H new ATOM 684 N VAL A 48 2.439 2.823 -5.455 1.00 0.00 N ATOM 685 CA VAL A 48 1.200 3.371 -5.994 1.00 0.00 C ATOM 686 C VAL A 48 1.074 3.080 -7.485 1.00 0.00 C ATOM 687 O VAL A 48 1.017 3.998 -8.305 1.00 0.00 O ATOM 688 CB VAL A 48 1.115 4.893 -5.770 1.00 0.00 C ATOM 689 CG1 VAL A 48 -0.169 5.450 -6.366 1.00 0.00 C ATOM 690 CG2 VAL A 48 1.210 5.218 -4.287 1.00 0.00 C ATOM 0 H VAL A 48 3.275 3.356 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 48 0.381 2.887 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 48 1.956 5.366 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.211 6.526 -6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.190 5.249 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.027 4.975 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.148 6.297 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.390 4.735 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.160 4.855 -3.895 1.00 0.00 H new ATOM 700 N ASP A 49 1.031 1.798 -7.831 1.00 0.00 N ATOM 701 CA ASP A 49 0.910 1.386 -9.224 1.00 0.00 C ATOM 702 C ASP A 49 -0.512 0.927 -9.534 1.00 0.00 C ATOM 703 O ASP A 49 -1.176 0.321 -8.693 1.00 0.00 O ATOM 704 CB ASP A 49 1.900 0.262 -9.533 1.00 0.00 C ATOM 705 CG ASP A 49 2.328 0.251 -10.988 1.00 0.00 C ATOM 706 OD1 ASP A 49 3.225 1.041 -11.348 1.00 0.00 O ATOM 707 OD2 ASP A 49 1.765 -0.547 -11.766 1.00 0.00 O ATOM 0 H ASP A 49 1.078 1.026 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 49 1.140 2.246 -9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.780 0.372 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.446 -0.697 -9.284 1.00 0.00 H new ATOM 712 N ALA A 50 -0.973 1.221 -10.745 1.00 0.00 N ATOM 713 CA ALA A 50 -2.315 0.838 -11.165 1.00 0.00 C ATOM 714 C ALA A 50 -2.531 -0.663 -11.012 1.00 0.00 C ATOM 715 O ALA A 50 -3.642 -1.116 -10.742 1.00 0.00 O ATOM 716 CB ALA A 50 -2.559 1.264 -12.606 1.00 0.00 C ATOM 0 H ALA A 50 -0.437 1.723 -11.453 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.030 1.349 -10.520 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.565 0.972 -12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.456 2.346 -12.688 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.831 0.780 -13.257 1.00 0.00 H new ATOM 722 N ASN A 51 -1.460 -1.431 -11.188 1.00 0.00 N ATOM 723 CA ASN A 51 -1.533 -2.883 -11.070 1.00 0.00 C ATOM 724 C ASN A 51 -1.904 -3.296 -9.649 1.00 0.00 C ATOM 725 O ASN A 51 -2.687 -4.224 -9.446 1.00 0.00 O ATOM 726 CB ASN A 51 -0.197 -3.515 -11.465 1.00 0.00 C ATOM 727 CG ASN A 51 0.338 -2.967 -12.773 1.00 0.00 C ATOM 728 OD1 ASN A 51 -0.394 -2.350 -13.547 1.00 0.00 O ATOM 729 ND2 ASN A 51 1.623 -3.191 -13.027 1.00 0.00 N ATOM 0 H ASN A 51 -0.532 -1.072 -11.413 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.310 -3.239 -11.747 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.533 -3.339 -10.675 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.320 -4.595 -11.550 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.039 -2.847 -13.892 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.193 -3.707 -12.357 1.00 0.00 H new ATOM 736 N ARG A 52 -1.338 -2.599 -8.670 1.00 0.00 N ATOM 737 CA ARG A 52 -1.608 -2.893 -7.268 1.00 0.00 C ATOM 738 C ARG A 52 -2.701 -1.979 -6.721 1.00 0.00 C ATOM 739 O ARG A 52 -2.875 -1.859 -5.508 1.00 0.00 O ATOM 740 CB ARG A 52 -0.334 -2.736 -6.436 1.00 0.00 C ATOM 741 CG ARG A 52 0.805 -3.633 -6.893 1.00 0.00 C ATOM 742 CD ARG A 52 0.594 -5.072 -6.451 1.00 0.00 C ATOM 743 NE ARG A 52 1.652 -5.955 -6.935 1.00 0.00 N ATOM 744 CZ ARG A 52 1.561 -7.280 -6.933 1.00 0.00 C ATOM 745 NH1 ARG A 52 0.467 -7.873 -6.475 1.00 0.00 N ATOM 746 NH2 ARG A 52 2.567 -8.016 -7.390 1.00 0.00 N ATOM 0 H ARG A 52 -0.689 -1.827 -8.822 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.953 -3.925 -7.200 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.007 -1.697 -6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.562 -2.955 -5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.887 -3.593 -7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.747 -3.262 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.556 -5.115 -5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.369 -5.426 -6.818 1.00 0.00 H new ATOM 0 HE ARG A 52 2.507 -5.531 -7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.308 -7.311 -6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.401 -8.891 -6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.410 -7.564 -7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.496 -9.034 -7.388 1.00 0.00 H new ATOM 760 N ARG A 53 -3.433 -1.335 -7.624 1.00 0.00 N ATOM 761 CA ARG A 53 -4.507 -0.430 -7.233 1.00 0.00 C ATOM 762 C ARG A 53 -5.727 -1.209 -6.753 1.00 0.00 C ATOM 763 O ARG A 53 -6.364 -1.923 -7.529 1.00 0.00 O ATOM 764 CB ARG A 53 -4.894 0.474 -8.405 1.00 0.00 C ATOM 765 CG ARG A 53 -5.966 1.494 -8.060 1.00 0.00 C ATOM 766 CD ARG A 53 -6.182 2.481 -9.196 1.00 0.00 C ATOM 767 NE ARG A 53 -7.533 3.036 -9.189 1.00 0.00 N ATOM 768 CZ ARG A 53 -8.007 3.829 -10.144 1.00 0.00 C ATOM 769 NH1 ARG A 53 -7.244 4.157 -11.177 1.00 0.00 N ATOM 770 NH2 ARG A 53 -9.247 4.294 -10.067 1.00 0.00 N ATOM 0 H ARG A 53 -3.302 -1.423 -8.632 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.146 0.188 -6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.006 0.998 -8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.246 -0.146 -9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.902 0.980 -7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.679 2.034 -7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.457 3.291 -9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.999 1.983 -10.148 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.146 2.802 -8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.290 3.800 -11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.610 4.766 -11.909 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.838 4.043 -9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.610 4.903 -10.801 1.00 0.00 H new ATOM 784 N ILE A 54 -6.047 -1.069 -5.471 1.00 0.00 N ATOM 785 CA ILE A 54 -7.191 -1.759 -4.889 1.00 0.00 C ATOM 786 C ILE A 54 -8.502 -1.113 -5.323 1.00 0.00 C ATOM 787 O ILE A 54 -9.364 -1.769 -5.909 1.00 0.00 O ATOM 788 CB ILE A 54 -7.120 -1.767 -3.351 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.832 -2.446 -2.881 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.338 -2.469 -2.768 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.511 -2.191 -1.425 1.00 0.00 C ATOM 0 H ILE A 54 -5.530 -0.484 -4.815 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.158 -2.786 -5.252 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.115 -0.736 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.917 -3.521 -3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.002 -2.096 -3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.273 -2.467 -1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.243 -1.946 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.372 -3.498 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.585 -2.703 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.393 -1.120 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.323 -2.566 -0.802 1.00 0.00 H new ATOM 803 N ILE A 55 -8.645 0.176 -5.034 1.00 0.00 N ATOM 804 CA ILE A 55 -9.849 0.911 -5.397 1.00 0.00 C ATOM 805 C ILE A 55 -9.617 2.417 -5.327 1.00 0.00 C ATOM 806 O ILE A 55 -8.955 2.911 -4.416 1.00 0.00 O ATOM 807 CB ILE A 55 -11.032 0.543 -4.481 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.343 1.068 -5.068 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.811 1.099 -3.082 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.545 0.219 -4.717 1.00 0.00 C ATOM 0 H ILE A 55 -7.941 0.733 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.092 0.630 -6.422 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.096 -0.543 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.510 2.085 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.250 1.122 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.655 0.831 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.895 0.681 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.724 2.184 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.439 0.651 -5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.400 -0.792 -5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.663 0.186 -3.634 1.00 0.00 H new ATOM 822 N GLY A 56 -10.168 3.141 -6.296 1.00 0.00 N ATOM 823 CA GLY A 56 -10.011 4.583 -6.325 1.00 0.00 C ATOM 824 C GLY A 56 -11.340 5.311 -6.377 1.00 0.00 C ATOM 825 O GLY A 56 -12.212 4.968 -7.175 1.00 0.00 O ATOM 0 H GLY A 56 -10.720 2.755 -7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.460 4.903 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.413 4.863 -7.192 1.00 0.00 H new ATOM 829 N TYR A 57 -11.497 6.316 -5.522 1.00 0.00 N ATOM 830 CA TYR A 57 -12.731 7.090 -5.471 1.00 0.00 C ATOM 831 C TYR A 57 -12.454 8.572 -5.709 1.00 0.00 C ATOM 832 O TYR A 57 -11.483 9.125 -5.193 1.00 0.00 O ATOM 833 CB TYR A 57 -13.421 6.900 -4.119 1.00 0.00 C ATOM 834 CG TYR A 57 -14.450 7.964 -3.810 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.640 8.035 -4.524 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.233 8.897 -2.805 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.583 9.006 -4.246 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.170 9.870 -2.518 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.344 9.921 -3.242 1.00 0.00 C ATOM 840 OH TYR A 57 -17.280 10.889 -2.960 1.00 0.00 O ATOM 0 H TYR A 57 -10.785 6.613 -4.855 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.389 6.730 -6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.904 5.923 -4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.666 6.897 -3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.831 7.319 -5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.315 8.861 -2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.502 9.048 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -14.985 10.587 -1.732 1.00 0.00 H new ATOM 0 HH TYR A 57 -16.957 11.452 -2.225 1.00 0.00 H new ATOM 850 N VAL A 58 -13.317 9.209 -6.495 1.00 0.00 N ATOM 851 CA VAL A 58 -13.168 10.626 -6.802 1.00 0.00 C ATOM 852 C VAL A 58 -14.267 11.450 -6.139 1.00 0.00 C ATOM 853 O VAL A 58 -15.452 11.251 -6.406 1.00 0.00 O ATOM 854 CB VAL A 58 -13.198 10.878 -8.321 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.878 12.333 -8.628 1.00 0.00 C ATOM 856 CG2 VAL A 58 -12.228 9.949 -9.034 1.00 0.00 C ATOM 0 H VAL A 58 -14.126 8.766 -6.930 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.199 10.935 -6.410 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.203 10.667 -8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.904 12.492 -9.706 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.616 12.977 -8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.885 12.575 -8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.262 10.141 -10.106 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.217 10.126 -8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.508 8.913 -8.842 1.00 0.00 H new ATOM 866 N ILE A 59 -13.865 12.376 -5.275 1.00 0.00 N ATOM 867 CA ILE A 59 -14.816 13.231 -4.575 1.00 0.00 C ATOM 868 C ILE A 59 -15.399 14.285 -5.510 1.00 0.00 C ATOM 869 O ILE A 59 -16.544 14.708 -5.349 1.00 0.00 O ATOM 870 CB ILE A 59 -14.161 13.934 -3.372 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.724 12.905 -2.327 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.122 14.942 -2.760 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.513 13.332 -1.528 1.00 0.00 C ATOM 0 H ILE A 59 -12.888 12.553 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.617 12.585 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.277 14.468 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.553 12.719 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.505 11.962 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.645 15.431 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.388 15.690 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.023 14.428 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.260 12.555 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.670 13.491 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -12.734 14.259 -0.999 1.00 0.00 H new ATOM 885 N SER A 60 -14.604 14.704 -6.490 1.00 0.00 N ATOM 886 CA SER A 60 -15.040 15.710 -7.451 1.00 0.00 C ATOM 887 C SER A 60 -16.145 15.161 -8.348 1.00 0.00 C ATOM 888 O SER A 60 -17.152 15.825 -8.587 1.00 0.00 O ATOM 889 CB SER A 60 -13.859 16.177 -8.304 1.00 0.00 C ATOM 890 OG SER A 60 -14.302 16.916 -9.428 1.00 0.00 O ATOM 0 H SER A 60 -13.655 14.362 -6.639 1.00 0.00 H new ATOM 0 HA SER A 60 -15.436 16.560 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.192 16.792 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.283 15.314 -8.637 1.00 0.00 H new ATOM 0 HG SER A 60 -13.528 17.204 -9.956 1.00 0.00 H new ATOM 896 N ASN A 61 -15.946 13.944 -8.843 1.00 0.00 N ATOM 897 CA ASN A 61 -16.925 13.305 -9.715 1.00 0.00 C ATOM 898 C ASN A 61 -17.682 12.209 -8.972 1.00 0.00 C ATOM 899 O ASN A 61 -18.400 11.416 -9.580 1.00 0.00 O ATOM 900 CB ASN A 61 -16.233 12.717 -10.947 1.00 0.00 C ATOM 901 CG ASN A 61 -17.223 12.194 -11.971 1.00 0.00 C ATOM 902 OD1 ASN A 61 -18.339 12.701 -12.087 1.00 0.00 O ATOM 903 ND2 ASN A 61 -16.817 11.175 -12.720 1.00 0.00 N ATOM 0 H ASN A 61 -15.117 13.381 -8.656 1.00 0.00 H new ATOM 0 HA ASN A 61 -17.640 14.063 -10.034 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.607 13.481 -11.408 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.572 11.907 -10.638 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.439 10.781 -13.426 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.883 10.786 -12.589 1.00 0.00 H new ATOM 910 N GLN A 62 -17.516 12.172 -7.654 1.00 0.00 N ATOM 911 CA GLN A 62 -18.184 11.173 -6.828 1.00 0.00 C ATOM 912 C GLN A 62 -18.304 9.845 -7.569 1.00 0.00 C ATOM 913 O GLN A 62 -19.369 9.230 -7.590 1.00 0.00 O ATOM 914 CB GLN A 62 -19.572 11.667 -6.416 1.00 0.00 C ATOM 915 CG GLN A 62 -19.541 12.737 -5.336 1.00 0.00 C ATOM 916 CD GLN A 62 -20.925 13.230 -4.963 1.00 0.00 C ATOM 917 OE1 GLN A 62 -21.867 12.445 -4.850 1.00 0.00 O ATOM 918 NE2 GLN A 62 -21.056 14.538 -4.770 1.00 0.00 N ATOM 0 H GLN A 62 -16.925 12.822 -7.135 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.581 11.016 -5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.083 12.063 -7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -20.159 10.820 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -19.050 12.338 -4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.940 13.579 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.248 15.152 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.964 14.928 -4.518 1.00 0.00 H new ATOM 927 N GLN A 63 -17.204 9.411 -8.176 1.00 0.00 N ATOM 928 CA GLN A 63 -17.187 8.157 -8.919 1.00 0.00 C ATOM 929 C GLN A 63 -16.260 7.144 -8.255 1.00 0.00 C ATOM 930 O GLN A 63 -15.313 7.516 -7.562 1.00 0.00 O ATOM 931 CB GLN A 63 -16.745 8.401 -10.363 1.00 0.00 C ATOM 932 CG GLN A 63 -16.699 7.137 -11.207 1.00 0.00 C ATOM 933 CD GLN A 63 -15.945 7.331 -12.507 1.00 0.00 C ATOM 934 OE1 GLN A 63 -15.425 8.413 -12.781 1.00 0.00 O ATOM 935 NE2 GLN A 63 -15.881 6.281 -13.317 1.00 0.00 N ATOM 0 H GLN A 63 -16.314 9.909 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.198 7.751 -8.920 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.427 9.113 -10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.757 8.861 -10.359 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.228 6.339 -10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -17.717 6.814 -11.426 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.326 5.403 -13.050 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.386 6.352 -14.206 1.00 0.00 H new ATOM 944 N ILE A 64 -16.539 5.863 -8.472 1.00 0.00 N ATOM 945 CA ILE A 64 -15.730 4.797 -7.895 1.00 0.00 C ATOM 946 C ILE A 64 -15.253 3.826 -8.970 1.00 0.00 C ATOM 947 O ILE A 64 -16.055 3.269 -9.720 1.00 0.00 O ATOM 948 CB ILE A 64 -16.510 4.014 -6.823 1.00 0.00 C ATOM 949 CG1 ILE A 64 -16.898 4.939 -5.667 1.00 0.00 C ATOM 950 CG2 ILE A 64 -15.684 2.842 -6.316 1.00 0.00 C ATOM 951 CD1 ILE A 64 -17.905 4.329 -4.718 1.00 0.00 C ATOM 0 H ILE A 64 -17.319 5.538 -9.043 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.867 5.273 -7.429 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.422 3.622 -7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.001 5.206 -5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.308 5.864 -6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.250 2.299 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.453 2.174 -7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.756 3.212 -5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.134 5.040 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.818 4.087 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.490 3.420 -4.283 1.00 0.00 H new ATOM 963 N THR A 65 -13.940 3.626 -9.039 1.00 0.00 N ATOM 964 CA THR A 65 -13.356 2.721 -10.022 1.00 0.00 C ATOM 965 C THR A 65 -12.404 1.731 -9.360 1.00 0.00 C ATOM 966 O THR A 65 -11.243 2.036 -9.087 1.00 0.00 O ATOM 967 CB THR A 65 -12.594 3.495 -11.114 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.411 4.556 -11.623 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.189 2.569 -12.251 1.00 0.00 C ATOM 0 H THR A 65 -13.261 4.078 -8.426 1.00 0.00 H new ATOM 0 HA THR A 65 -14.182 2.177 -10.481 1.00 0.00 H new ATOM 0 HB THR A 65 -11.691 3.914 -10.669 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.919 5.044 -12.316 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.652 3.138 -13.010 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.544 1.780 -11.865 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.081 2.125 -12.693 1.00 0.00 H new ATOM 977 N PRO A 66 -12.905 0.515 -9.095 1.00 0.00 N ATOM 978 CA PRO A 66 -12.115 -0.545 -8.462 1.00 0.00 C ATOM 979 C PRO A 66 -11.027 -1.086 -9.384 1.00 0.00 C ATOM 980 O PRO A 66 -11.160 -1.047 -10.607 1.00 0.00 O ATOM 981 CB PRO A 66 -13.152 -1.631 -8.165 1.00 0.00 C ATOM 982 CG PRO A 66 -14.235 -1.403 -9.162 1.00 0.00 C ATOM 983 CD PRO A 66 -14.280 0.082 -9.393 1.00 0.00 C ATOM 0 HA PRO A 66 -11.587 -0.187 -7.578 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.722 -2.627 -8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.529 -1.550 -7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.029 -1.936 -10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.192 -1.769 -8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.563 0.321 -10.418 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.005 0.568 -8.740 1.00 0.00 H new ATOM 991 N GLY A 67 -9.951 -1.592 -8.789 1.00 0.00 N ATOM 992 CA GLY A 67 -8.856 -2.134 -9.573 1.00 0.00 C ATOM 993 C GLY A 67 -8.817 -3.649 -9.544 1.00 0.00 C ATOM 994 O GLY A 67 -9.749 -4.307 -9.082 1.00 0.00 O ATOM 0 H GLY A 67 -9.818 -1.636 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.950 -1.796 -10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.912 -1.742 -9.193 1.00 0.00 H new ATOM 998 N PRO A 68 -7.715 -4.226 -10.047 1.00 0.00 N ATOM 999 CA PRO A 68 -7.532 -5.679 -10.089 1.00 0.00 C ATOM 1000 C PRO A 68 -7.330 -6.279 -8.702 1.00 0.00 C ATOM 1001 O PRO A 68 -7.668 -7.437 -8.461 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.269 -5.853 -10.936 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.521 -4.575 -10.768 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.564 -3.503 -10.614 1.00 0.00 C ATOM 0 HA PRO A 68 -8.407 -6.188 -10.493 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.679 -6.704 -10.597 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.516 -6.033 -11.982 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.871 -4.615 -9.894 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.884 -4.379 -11.631 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.226 -2.705 -9.953 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.811 -3.042 -11.570 1.00 0.00 H new ATOM 1012 N ALA A 69 -6.778 -5.482 -7.793 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.534 -5.933 -6.428 1.00 0.00 C ATOM 1014 C ALA A 69 -7.774 -5.752 -5.560 1.00 0.00 C ATOM 1015 O ALA A 69 -7.673 -5.569 -4.347 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.353 -5.185 -5.828 1.00 0.00 C ATOM 0 H ALA A 69 -6.491 -4.521 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.298 -6.997 -6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.182 -5.532 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.462 -5.370 -6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.567 -4.116 -5.816 1.00 0.00 H new ATOM 1022 N TYR A 70 -8.943 -5.805 -6.188 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.203 -5.643 -5.473 1.00 0.00 C ATOM 1024 C TYR A 70 -10.987 -6.952 -5.447 1.00 0.00 C ATOM 1025 O TYR A 70 -11.094 -7.644 -6.459 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.046 -4.544 -6.123 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.207 -4.087 -5.270 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.004 -3.619 -3.978 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.508 -4.123 -5.756 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.062 -3.201 -3.195 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.573 -3.706 -4.981 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.345 -3.246 -3.700 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.402 -2.829 -2.924 1.00 0.00 O ATOM 0 H TYR A 70 -9.044 -5.959 -7.191 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.974 -5.357 -4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.407 -3.688 -6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.428 -4.907 -7.077 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.001 -3.581 -3.579 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.690 -4.483 -6.758 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.886 -2.841 -2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.578 -3.740 -5.375 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.142 -2.848 -1.979 1.00 0.00 H new ATOM 1043 N SER A 71 -11.533 -7.284 -4.282 1.00 0.00 N ATOM 1044 CA SER A 71 -12.304 -8.511 -4.121 1.00 0.00 C ATOM 1045 C SER A 71 -13.704 -8.208 -3.596 1.00 0.00 C ATOM 1046 O SER A 71 -14.373 -9.079 -3.042 1.00 0.00 O ATOM 1047 CB SER A 71 -11.586 -9.469 -3.169 1.00 0.00 C ATOM 1048 OG SER A 71 -11.945 -10.815 -3.432 1.00 0.00 O ATOM 0 H SER A 71 -11.456 -6.720 -3.435 1.00 0.00 H new ATOM 0 HA SER A 71 -12.396 -8.984 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.508 -9.350 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.836 -9.218 -2.138 1.00 0.00 H new ATOM 0 HG SER A 71 -12.922 -10.896 -3.446 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.140 -6.965 -3.775 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.460 -6.545 -3.319 1.00 0.00 C ATOM 1056 C ASN A 72 -15.601 -6.735 -1.811 1.00 0.00 C ATOM 1057 O ASN A 72 -16.661 -7.123 -1.320 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.550 -7.335 -4.047 1.00 0.00 C ATOM 1059 CG ASN A 72 -16.998 -6.656 -5.327 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -17.064 -5.429 -5.401 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -17.310 -7.453 -6.342 1.00 0.00 N ATOM 0 H ASN A 72 -13.599 -6.231 -4.232 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.575 -5.485 -3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.178 -8.333 -4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.407 -7.460 -3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.619 -7.053 -7.228 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.240 -8.465 -6.236 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.524 -6.459 -1.083 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.527 -6.599 0.368 1.00 0.00 C ATOM 1070 C ARG A 73 -14.098 -5.299 1.042 1.00 0.00 C ATOM 1071 O ARG A 73 -14.450 -5.039 2.192 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.597 -7.737 0.793 1.00 0.00 C ATOM 1073 CG ARG A 73 -14.059 -9.108 0.326 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.427 -10.219 1.149 1.00 0.00 C ATOM 1075 NE ARG A 73 -11.968 -10.186 1.085 1.00 0.00 N ATOM 1076 CZ ARG A 73 -11.180 -10.786 1.970 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.707 -11.464 2.980 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.861 -10.710 1.844 1.00 0.00 N ATOM 0 H ARG A 73 -13.639 -6.137 -1.474 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.544 -6.832 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.599 -7.546 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.515 -7.741 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.145 -9.172 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.802 -9.241 -0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.746 -10.128 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.784 -11.184 0.790 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.530 -9.674 0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.720 -11.526 3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.099 -11.924 3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.452 -10.191 1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.256 -11.171 2.524 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.335 -4.487 0.316 1.00 0.00 N ATOM 1093 CA GLU A 74 -12.857 -3.215 0.845 1.00 0.00 C ATOM 1094 C GLU A 74 -13.775 -2.071 0.424 1.00 0.00 C ATOM 1095 O GLU A 74 -14.324 -2.073 -0.679 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.430 -2.941 0.364 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.396 -3.881 0.960 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.319 -5.205 0.225 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -10.199 -5.187 -1.018 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -10.379 -6.259 0.892 1.00 0.00 O ATOM 0 H GLU A 74 -13.035 -4.687 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.860 -3.279 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.400 -3.023 -0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.162 -1.914 0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.418 -3.400 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.638 -4.064 2.007 1.00 0.00 H new ATOM 1107 N THR A 75 -13.939 -1.094 1.310 1.00 0.00 N ATOM 1108 CA THR A 75 -14.792 0.055 1.033 1.00 0.00 C ATOM 1109 C THR A 75 -14.103 1.358 1.422 1.00 0.00 C ATOM 1110 O THR A 75 -13.560 1.479 2.521 1.00 0.00 O ATOM 1111 CB THR A 75 -16.133 -0.047 1.783 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.846 -1.213 1.355 1.00 0.00 O ATOM 1113 CG2 THR A 75 -16.984 1.191 1.541 1.00 0.00 C ATOM 0 H THR A 75 -13.492 -1.076 2.227 1.00 0.00 H new ATOM 0 HA THR A 75 -14.983 0.055 -0.040 1.00 0.00 H new ATOM 0 HB THR A 75 -15.923 -0.121 2.850 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.697 -1.272 1.838 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.926 1.096 2.081 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.451 2.074 1.894 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.185 1.291 0.474 1.00 0.00 H new ATOM 1121 N ILE A 76 -14.129 2.329 0.516 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.507 3.623 0.766 1.00 0.00 C ATOM 1123 C ILE A 76 -14.371 4.479 1.687 1.00 0.00 C ATOM 1124 O ILE A 76 -15.536 4.163 1.933 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.258 4.391 -0.545 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -13.057 3.413 -1.704 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -12.051 5.306 -0.402 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.336 3.069 -2.434 1.00 0.00 C ATOM 0 H ILE A 76 -14.574 2.244 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.550 3.425 1.249 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.132 5.006 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.348 3.842 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.609 2.496 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.888 5.842 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.230 6.022 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.169 4.711 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -14.117 2.372 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.039 2.610 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.775 3.977 -2.847 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.794 5.564 2.191 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.511 6.466 3.085 1.00 0.00 C ATOM 1142 C TYR A 77 -14.294 7.921 2.680 1.00 0.00 C ATOM 1143 O TYR A 77 -13.356 8.258 1.958 1.00 0.00 O ATOM 1144 CB TYR A 77 -14.056 6.254 4.530 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.850 5.198 5.266 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.838 3.873 4.846 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.610 5.525 6.381 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.563 2.906 5.515 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.337 4.564 7.058 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.310 3.256 6.620 1.00 0.00 C ATOM 1151 OH TYR A 77 -17.032 2.295 7.290 1.00 0.00 O ATOM 0 H TYR A 77 -12.832 5.840 1.996 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.575 6.242 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -13.003 5.973 4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.135 7.198 5.069 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.252 3.595 3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.634 6.548 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.545 1.881 5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.922 4.835 7.924 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.502 2.706 8.045 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.183 8.805 3.156 1.00 0.00 N ATOM 1162 CA PRO A 78 -15.111 10.238 2.858 1.00 0.00 C ATOM 1163 C PRO A 78 -13.926 10.913 3.542 1.00 0.00 C ATOM 1164 O PRO A 78 -13.748 12.126 3.440 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.429 10.783 3.413 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.818 9.819 4.480 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.327 8.473 4.022 1.00 0.00 C ATOM 0 HA PRO A 78 -14.971 10.426 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.304 11.789 3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.191 10.843 2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.371 10.093 5.435 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.898 9.812 4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.027 7.847 4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.098 7.928 3.478 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.119 10.119 4.237 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.950 10.640 4.937 1.00 0.00 C ATOM 1177 C ASN A 79 -10.680 9.932 4.477 1.00 0.00 C ATOM 1178 O ASN A 79 -9.694 9.866 5.211 1.00 0.00 O ATOM 1179 CB ASN A 79 -12.121 10.477 6.449 1.00 0.00 C ATOM 1180 CG ASN A 79 -12.918 9.238 6.810 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -12.596 8.131 6.378 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -13.965 9.420 7.606 1.00 0.00 N ATOM 0 H ASN A 79 -13.253 9.112 4.331 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.858 11.700 4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.139 10.424 6.919 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.621 11.358 6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.539 8.624 7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.195 10.356 7.940 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.711 9.403 3.258 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.562 8.702 2.700 1.00 0.00 C ATOM 1191 C ALA A 80 -9.256 7.434 3.489 1.00 0.00 C ATOM 1192 O ALA A 80 -8.119 6.962 3.507 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.346 9.617 2.675 1.00 0.00 C ATOM 0 H ALA A 80 -11.520 9.447 2.638 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.806 8.412 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.495 9.080 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.561 10.492 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.109 9.936 3.690 1.00 0.00 H new ATOM 1199 N SER A 81 -10.277 6.888 4.142 1.00 0.00 N ATOM 1200 CA SER A 81 -10.115 5.676 4.937 1.00 0.00 C ATOM 1201 C SER A 81 -10.694 4.467 4.209 1.00 0.00 C ATOM 1202 O SER A 81 -11.670 4.583 3.467 1.00 0.00 O ATOM 1203 CB SER A 81 -10.795 5.840 6.298 1.00 0.00 C ATOM 1204 OG SER A 81 -10.209 6.898 7.037 1.00 0.00 O ATOM 0 H SER A 81 -11.225 7.265 4.136 1.00 0.00 H new ATOM 0 HA SER A 81 -9.048 5.510 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.858 6.037 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.716 4.911 6.862 1.00 0.00 H new ATOM 0 HG SER A 81 -10.822 7.662 7.056 1.00 0.00 H new ATOM 1210 N LEU A 82 -10.084 3.307 4.426 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.538 2.074 3.791 1.00 0.00 C ATOM 1212 C LEU A 82 -10.901 1.024 4.837 1.00 0.00 C ATOM 1213 O LEU A 82 -10.091 0.688 5.701 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.454 1.528 2.859 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.827 0.285 2.051 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.441 0.680 0.717 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.607 -0.599 1.839 1.00 0.00 C ATOM 0 H LEU A 82 -9.274 3.194 5.036 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.430 2.302 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.170 2.317 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.572 1.297 3.456 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.568 -0.282 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.700 -0.218 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.340 1.271 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.724 1.270 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.891 -1.479 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.843 -0.041 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.211 -0.911 2.806 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.122 0.509 4.751 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.593 -0.505 5.688 1.00 0.00 C ATOM 1231 C LEU A 83 -12.396 -1.906 5.119 1.00 0.00 C ATOM 1232 O LEU A 83 -13.047 -2.289 4.147 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.070 -0.278 6.016 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.780 -1.423 6.739 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.432 -1.417 8.220 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.286 -1.325 6.543 1.00 0.00 C ATOM 0 H LEU A 83 -12.804 0.777 4.042 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.007 -0.419 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.152 0.619 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.602 -0.077 5.086 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.438 -2.365 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.947 -2.239 8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.355 -1.536 8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.744 -0.472 8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.775 -2.148 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.644 -0.377 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.519 -1.380 5.480 1.00 0.00 H new ATOM 1248 N MET A 84 -11.495 -2.667 5.732 1.00 0.00 N ATOM 1249 CA MET A 84 -11.216 -4.028 5.288 1.00 0.00 C ATOM 1250 C MET A 84 -12.029 -5.039 6.090 1.00 0.00 C ATOM 1251 O MET A 84 -11.777 -5.251 7.276 1.00 0.00 O ATOM 1252 CB MET A 84 -9.723 -4.334 5.423 1.00 0.00 C ATOM 1253 CG MET A 84 -9.210 -5.325 4.390 1.00 0.00 C ATOM 1254 SD MET A 84 -7.427 -5.214 4.146 1.00 0.00 S ATOM 1255 CE MET A 84 -7.294 -3.618 3.345 1.00 0.00 C ATOM 0 H MET A 84 -10.946 -2.365 6.537 1.00 0.00 H new ATOM 0 HA MET A 84 -11.503 -4.108 4.240 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.160 -3.405 5.334 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.530 -4.729 6.420 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.468 -6.337 4.704 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.714 -5.148 3.440 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.992 -3.756 2.307 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.259 -3.113 3.378 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.549 -3.013 3.862 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.004 -5.661 5.434 1.00 0.00 N ATOM 1266 CA ARG A 85 -13.854 -6.648 6.087 1.00 0.00 C ATOM 1267 C ARG A 85 -13.324 -8.060 5.855 1.00 0.00 C ATOM 1268 O ARG A 85 -12.560 -8.301 4.921 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.289 -6.539 5.569 1.00 0.00 C ATOM 1270 CG ARG A 85 -15.903 -5.162 5.762 1.00 0.00 C ATOM 1271 CD ARG A 85 -16.923 -4.850 4.677 1.00 0.00 C ATOM 1272 NE ARG A 85 -17.951 -3.923 5.143 1.00 0.00 N ATOM 1273 CZ ARG A 85 -18.867 -4.239 6.052 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -18.882 -5.450 6.590 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -19.770 -3.341 6.425 1.00 0.00 N ATOM 0 H ARG A 85 -13.224 -5.498 4.451 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.845 -6.446 7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.303 -6.788 4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.907 -7.278 6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.382 -5.110 6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.117 -4.407 5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.414 -4.423 3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.393 -5.775 4.344 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.967 -2.982 4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.189 -6.143 6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.587 -5.689 7.288 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.761 -2.408 6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.473 -3.584 7.123 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.736 -8.990 6.711 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.302 -10.378 6.600 1.00 0.00 C ATOM 1291 C ASN A 86 -11.785 -10.464 6.464 1.00 0.00 C ATOM 1292 O ASN A 86 -11.267 -11.141 5.576 1.00 0.00 O ATOM 1293 CB ASN A 86 -13.971 -11.048 5.398 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.352 -11.582 5.729 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -15.493 -12.535 6.496 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.377 -10.969 5.150 1.00 0.00 N ATOM 0 H ASN A 86 -14.370 -8.807 7.489 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.598 -10.899 7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.048 -10.330 4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.343 -11.866 5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.330 -11.284 5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.212 -10.183 4.521 1.00 0.00 H new ATOM 1303 N VAL A 87 -11.077 -9.773 7.353 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.619 -9.773 7.334 1.00 0.00 C ATOM 1305 C VAL A 87 -9.066 -11.173 7.578 1.00 0.00 C ATOM 1306 O VAL A 87 -9.764 -12.049 8.089 1.00 0.00 O ATOM 1307 CB VAL A 87 -9.045 -8.814 8.394 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.446 -7.379 8.090 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.506 -9.221 9.786 1.00 0.00 C ATOM 0 H VAL A 87 -11.489 -9.207 8.094 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.315 -9.433 6.344 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.957 -8.876 8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.031 -6.717 8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.062 -7.094 7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.533 -7.297 8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.091 -8.533 10.522 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.595 -9.189 9.833 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.163 -10.233 10.002 1.00 0.00 H new ATOM 1319 N THR A 88 -7.805 -11.377 7.209 1.00 0.00 N ATOM 1320 CA THR A 88 -7.157 -12.671 7.386 1.00 0.00 C ATOM 1321 C THR A 88 -5.660 -12.508 7.624 1.00 0.00 C ATOM 1322 O THR A 88 -5.122 -11.405 7.521 1.00 0.00 O ATOM 1323 CB THR A 88 -7.375 -13.581 6.163 1.00 0.00 C ATOM 1324 OG1 THR A 88 -6.888 -12.937 4.980 1.00 0.00 O ATOM 1325 CG2 THR A 88 -8.850 -13.916 5.994 1.00 0.00 C ATOM 0 H THR A 88 -7.212 -10.663 6.786 1.00 0.00 H new ATOM 0 HA THR A 88 -7.613 -13.136 8.260 1.00 0.00 H new ATOM 0 HB THR A 88 -6.824 -14.508 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.223 -12.017 4.947 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.980 -14.560 5.124 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.210 -14.432 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.418 -12.997 5.853 1.00 0.00 H new ATOM 1333 N ARG A 89 -4.993 -13.612 7.941 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.557 -13.591 8.194 1.00 0.00 C ATOM 1335 C ARG A 89 -2.797 -13.093 6.968 1.00 0.00 C ATOM 1336 O ARG A 89 -1.866 -12.297 7.084 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.065 -14.987 8.580 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.695 -15.524 9.855 1.00 0.00 C ATOM 1339 CD ARG A 89 -3.080 -16.853 10.263 1.00 0.00 C ATOM 1340 NE ARG A 89 -3.442 -17.929 9.344 1.00 0.00 N ATOM 1341 CZ ARG A 89 -2.882 -19.133 9.364 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -1.940 -19.414 10.253 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -3.265 -20.059 8.495 1.00 0.00 N ATOM 0 H ARG A 89 -5.423 -14.533 8.029 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.369 -12.906 9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.276 -15.676 7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.982 -14.960 8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.565 -14.800 10.659 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.768 -15.648 9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.995 -16.755 10.297 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.408 -17.110 11.270 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.165 -17.745 8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.644 -18.705 10.924 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.511 -20.339 10.267 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.991 -19.847 7.810 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.834 -20.983 8.512 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.200 -13.569 5.794 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.556 -13.173 4.547 1.00 0.00 C ATOM 1359 C ASN A 90 -2.641 -11.663 4.347 1.00 0.00 C ATOM 1360 O ASN A 90 -1.638 -11.006 4.065 1.00 0.00 O ATOM 1361 CB ASN A 90 -3.205 -13.893 3.363 1.00 0.00 C ATOM 1362 CG ASN A 90 -4.698 -14.080 3.548 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -5.141 -14.738 4.489 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -5.483 -13.499 2.647 1.00 0.00 N ATOM 0 H ASN A 90 -3.969 -14.229 5.680 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.505 -13.456 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.023 -13.324 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.733 -14.867 3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -6.496 -13.589 2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.072 -12.963 1.883 1.00 0.00 H new ATOM 1371 N ASP A 91 -3.844 -11.118 4.494 1.00 0.00 N ATOM 1372 CA ASP A 91 -4.060 -9.685 4.331 1.00 0.00 C ATOM 1373 C ASP A 91 -2.916 -8.889 4.952 1.00 0.00 C ATOM 1374 O ASP A 91 -2.563 -7.812 4.472 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.389 -9.273 4.967 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.579 -9.612 4.091 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -6.478 -9.435 2.859 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.612 -10.052 4.638 1.00 0.00 O ATOM 0 H ASP A 91 -4.685 -11.647 4.726 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.093 -9.466 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.497 -9.771 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.378 -8.201 5.162 1.00 0.00 H new ATOM 1383 N THR A 92 -2.341 -9.427 6.023 1.00 0.00 N ATOM 1384 CA THR A 92 -1.238 -8.766 6.711 1.00 0.00 C ATOM 1385 C THR A 92 -0.126 -8.396 5.737 1.00 0.00 C ATOM 1386 O THR A 92 0.405 -9.252 5.031 1.00 0.00 O ATOM 1387 CB THR A 92 -0.656 -9.658 7.823 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.715 -10.213 8.611 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.285 -8.863 8.717 1.00 0.00 C ATOM 0 H THR A 92 -2.620 -10.318 6.433 1.00 0.00 H new ATOM 0 HA THR A 92 -1.642 -7.858 7.158 1.00 0.00 H new ATOM 0 HB THR A 92 -0.092 -10.464 7.354 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.756 -11.182 8.468 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.684 -9.514 9.495 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.106 -8.466 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.260 -8.039 9.177 1.00 0.00 H new ATOM 1397 N GLY A 93 0.224 -7.113 5.705 1.00 0.00 N ATOM 1398 CA GLY A 93 1.273 -6.652 4.814 1.00 0.00 C ATOM 1399 C GLY A 93 1.379 -5.141 4.776 1.00 0.00 C ATOM 1400 O GLY A 93 1.564 -4.498 5.810 1.00 0.00 O ATOM 0 H GLY A 93 -0.200 -6.385 6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.227 -7.072 5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.081 -7.025 3.808 1.00 0.00 H new ATOM 1404 N SER A 94 1.262 -4.571 3.581 1.00 0.00 N ATOM 1405 CA SER A 94 1.351 -3.125 3.412 1.00 0.00 C ATOM 1406 C SER A 94 0.233 -2.614 2.507 1.00 0.00 C ATOM 1407 O SER A 94 -0.211 -3.312 1.596 1.00 0.00 O ATOM 1408 CB SER A 94 2.711 -2.742 2.826 1.00 0.00 C ATOM 1409 OG SER A 94 3.768 -3.189 3.658 1.00 0.00 O ATOM 0 H SER A 94 1.105 -5.088 2.716 1.00 0.00 H new ATOM 0 HA SER A 94 1.242 -2.662 4.393 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.818 -3.176 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.769 -1.660 2.709 1.00 0.00 H new ATOM 0 HG SER A 94 3.692 -2.766 4.539 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.216 -1.391 2.766 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.283 -0.786 1.978 1.00 0.00 C ATOM 1417 C TYR A 95 -1.055 0.713 1.812 1.00 0.00 C ATOM 1418 O TYR A 95 -1.211 1.486 2.757 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.639 -1.036 2.640 1.00 0.00 C ATOM 1420 CG TYR A 95 -3.050 -2.491 2.649 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.583 -3.360 3.628 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -3.906 -2.998 1.679 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -2.955 -4.690 3.639 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -4.285 -4.326 1.683 1.00 0.00 C ATOM 1425 CZ TYR A 95 -3.806 -5.169 2.664 1.00 0.00 C ATOM 1426 OH TYR A 95 -4.180 -6.493 2.673 1.00 0.00 O ATOM 0 H TYR A 95 0.142 -0.799 3.515 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.277 -1.248 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.606 -0.670 3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.401 -0.455 2.119 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.918 -2.989 4.393 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.282 -2.342 0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.582 -5.352 4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.953 -4.702 0.922 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.685 -6.968 3.373 1.00 0.00 H new ATOM 1436 N THR A 96 -0.683 1.117 0.601 1.00 0.00 N ATOM 1437 CA THR A 96 -0.432 2.523 0.308 1.00 0.00 C ATOM 1438 C THR A 96 -1.720 3.243 -0.076 1.00 0.00 C ATOM 1439 O THR A 96 -2.554 2.700 -0.802 1.00 0.00 O ATOM 1440 CB THR A 96 0.593 2.685 -0.830 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.805 2.000 -0.499 1.00 0.00 O ATOM 1442 CG2 THR A 96 0.889 4.155 -1.086 1.00 0.00 C ATOM 0 H THR A 96 -0.549 0.490 -0.193 1.00 0.00 H new ATOM 0 HA THR A 96 -0.028 2.968 1.217 1.00 0.00 H new ATOM 0 HB THR A 96 0.168 2.253 -1.736 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.627 1.039 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.615 4.245 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.031 4.668 -1.367 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.295 4.607 -0.181 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.875 4.468 0.414 1.00 0.00 N ATOM 1451 CA LEU A 97 -3.062 5.264 0.121 1.00 0.00 C ATOM 1452 C LEU A 97 -2.677 6.638 -0.419 1.00 0.00 C ATOM 1453 O LEU A 97 -2.275 7.521 0.338 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.920 5.419 1.378 1.00 0.00 C ATOM 1455 CG LEU A 97 -5.134 6.339 1.253 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.766 7.765 1.633 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.697 6.290 -0.160 1.00 0.00 C ATOM 0 H LEU A 97 -1.194 4.932 1.016 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.639 4.743 -0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.268 4.431 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.287 5.794 2.182 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.903 5.989 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.643 8.405 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.411 7.787 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.979 8.127 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.561 6.951 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.933 6.614 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.001 5.270 -0.396 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.805 6.809 -1.731 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.472 8.077 -2.371 1.00 0.00 C ATOM 1471 C GLN A 98 -3.688 8.995 -2.426 1.00 0.00 C ATOM 1472 O GLN A 98 -4.797 8.557 -2.731 1.00 0.00 O ATOM 1473 CB GLN A 98 -1.937 7.834 -3.783 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.923 9.081 -4.651 1.00 0.00 C ATOM 1475 CD GLN A 98 -1.718 8.768 -6.120 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -2.649 8.361 -6.816 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -0.495 8.956 -6.601 1.00 0.00 N ATOM 0 H GLN A 98 -3.136 6.087 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.699 8.564 -1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.924 7.437 -3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.547 7.071 -4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.864 9.617 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.129 9.747 -4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.247 9.295 -5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.298 8.762 -7.583 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.473 10.273 -2.127 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.551 11.254 -2.144 1.00 0.00 C ATOM 1488 C VAL A 99 -4.235 12.402 -3.095 1.00 0.00 C ATOM 1489 O VAL A 99 -3.172 13.017 -3.010 1.00 0.00 O ATOM 1490 CB VAL A 99 -4.811 11.825 -0.737 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -6.052 12.704 -0.739 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -4.947 10.699 0.278 1.00 0.00 C ATOM 0 H VAL A 99 -2.562 10.652 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.445 10.736 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.959 12.441 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.220 13.099 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.911 13.531 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.915 12.114 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.130 11.120 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.781 10.055 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.028 10.114 0.298 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.165 12.686 -4.001 1.00 0.00 N ATOM 1503 CA ILE A 100 -4.986 13.761 -4.968 1.00 0.00 C ATOM 1504 C ILE A 100 -5.671 15.041 -4.500 1.00 0.00 C ATOM 1505 O ILE A 100 -6.735 14.998 -3.882 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.540 13.372 -6.351 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.782 12.165 -6.907 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.447 14.550 -7.310 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -5.165 10.857 -6.252 1.00 0.00 C ATOM 0 H ILE A 100 -6.050 12.186 -4.085 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.913 13.935 -5.051 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.590 13.100 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.966 12.093 -7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.712 12.327 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.842 14.259 -8.283 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.027 15.385 -6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.405 14.851 -7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.588 10.045 -6.696 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.955 10.910 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.228 10.672 -6.404 1.00 0.00 H new ATOM 1521 N LYS A 101 -5.055 16.179 -4.800 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.606 17.473 -4.414 1.00 0.00 C ATOM 1523 C LYS A 101 -6.007 18.282 -5.643 1.00 0.00 C ATOM 1524 O LYS A 101 -5.396 18.160 -6.706 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.587 18.256 -3.584 1.00 0.00 C ATOM 1526 CG LYS A 101 -4.023 17.471 -2.413 1.00 0.00 C ATOM 1527 CD LYS A 101 -2.715 16.788 -2.778 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.516 17.563 -2.254 1.00 0.00 C ATOM 1529 NZ LYS A 101 -1.548 18.989 -2.682 1.00 0.00 N ATOM 0 H LYS A 101 -4.173 16.232 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.497 17.296 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.767 18.567 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.058 19.164 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.861 18.141 -1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.748 16.723 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.704 15.778 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.643 16.693 -3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.497 17.511 -1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.598 17.097 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.605 19.272 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.238 19.105 -3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.824 19.587 -1.877 1.00 0.00 H new ATOM 1543 N LEU A 102 -7.035 19.109 -5.491 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.517 19.941 -6.589 1.00 0.00 C ATOM 1545 C LEU A 102 -6.373 20.733 -7.214 1.00 0.00 C ATOM 1546 O LEU A 102 -6.496 21.249 -8.324 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.602 20.897 -6.092 1.00 0.00 C ATOM 1548 CG LEU A 102 -9.993 20.291 -5.898 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.811 20.415 -7.174 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.885 18.835 -5.471 1.00 0.00 C ATOM 0 H LEU A 102 -7.551 19.222 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.940 19.286 -7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.277 21.322 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.683 21.723 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.503 20.843 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.798 19.979 -7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.917 21.467 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.305 19.888 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.884 18.420 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.356 18.269 -6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.337 18.771 -4.531 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.259 20.824 -6.494 1.00 0.00 N ATOM 1563 CA ASN A 103 -4.093 21.552 -6.979 1.00 0.00 C ATOM 1564 C ASN A 103 -3.296 20.706 -7.968 1.00 0.00 C ATOM 1565 O ASN A 103 -2.165 21.043 -8.320 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.199 21.963 -5.807 1.00 0.00 C ATOM 1567 CG ASN A 103 -2.001 22.779 -6.252 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -2.041 23.450 -7.284 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -0.926 22.726 -5.474 1.00 0.00 N ATOM 0 H ASN A 103 -5.140 20.402 -5.573 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.443 22.447 -7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.784 22.542 -5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.854 21.070 -5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.090 23.254 -5.723 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.937 22.157 -4.628 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.894 19.607 -8.413 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.242 18.712 -9.363 1.00 0.00 C ATOM 1578 C LEU A 104 -2.014 18.058 -8.739 1.00 0.00 C ATOM 1579 O LEU A 104 -1.005 17.841 -9.410 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.840 19.480 -10.624 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.962 20.239 -11.334 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.410 21.028 -12.510 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -5.047 19.277 -11.796 1.00 0.00 C ATOM 0 H LEU A 104 -4.829 19.314 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.951 17.929 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.059 20.192 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.402 18.775 -11.330 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.404 20.941 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.222 21.562 -13.003 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.670 21.744 -12.153 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.942 20.345 -13.219 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.837 19.834 -12.299 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.619 18.551 -12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.463 18.756 -10.933 1.00 0.00 H new ATOM 1595 N MET A 105 -2.107 17.742 -7.451 1.00 0.00 N ATOM 1596 CA MET A 105 -1.004 17.109 -6.738 1.00 0.00 C ATOM 1597 C MET A 105 -1.420 15.746 -6.194 1.00 0.00 C ATOM 1598 O MET A 105 -2.595 15.381 -6.240 1.00 0.00 O ATOM 1599 CB MET A 105 -0.529 18.004 -5.592 1.00 0.00 C ATOM 1600 CG MET A 105 0.344 19.162 -6.049 1.00 0.00 C ATOM 1601 SD MET A 105 2.067 18.684 -6.280 1.00 0.00 S ATOM 1602 CE MET A 105 2.632 18.620 -4.581 1.00 0.00 C ATOM 0 H MET A 105 -2.935 17.914 -6.880 1.00 0.00 H new ATOM 0 HA MET A 105 -0.184 16.966 -7.442 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.398 18.400 -5.066 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.028 17.400 -4.876 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.047 19.559 -6.985 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.289 19.965 -5.314 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.718 18.531 -4.562 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.334 19.532 -4.064 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.188 17.758 -4.082 1.00 0.00 H new ATOM 1612 N SER A 106 -0.450 14.997 -5.680 1.00 0.00 N ATOM 1613 CA SER A 106 -0.715 13.673 -5.131 1.00 0.00 C ATOM 1614 C SER A 106 0.140 13.416 -3.894 1.00 0.00 C ATOM 1615 O SER A 106 1.327 13.738 -3.870 1.00 0.00 O ATOM 1616 CB SER A 106 -0.443 12.597 -6.185 1.00 0.00 C ATOM 1617 OG SER A 106 0.730 12.892 -6.924 1.00 0.00 O ATOM 0 H SER A 106 0.527 15.285 -5.632 1.00 0.00 H new ATOM 0 HA SER A 106 -1.765 13.631 -4.841 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.337 11.627 -5.700 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.294 12.523 -6.862 1.00 0.00 H new ATOM 0 HG SER A 106 0.883 12.189 -7.589 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.474 12.834 -2.868 1.00 0.00 N ATOM 1624 CA GLU A 107 0.230 12.535 -1.627 1.00 0.00 C ATOM 1625 C GLU A 107 0.390 11.029 -1.442 1.00 0.00 C ATOM 1626 O GLU A 107 -0.099 10.239 -2.248 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.520 13.130 -0.433 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.359 14.635 -0.302 1.00 0.00 C ATOM 1629 CD GLU A 107 0.880 15.023 0.483 1.00 0.00 C ATOM 1630 OE1 GLU A 107 1.969 14.498 0.171 1.00 0.00 O ATOM 1631 OE2 GLU A 107 0.759 15.851 1.409 1.00 0.00 O ATOM 0 H GLU A 107 -1.457 12.561 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 107 1.222 12.984 -1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.580 12.893 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.166 12.654 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.309 15.079 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.240 15.050 0.188 1.00 0.00 H new ATOM 1638 N GLU A 108 1.079 10.640 -0.374 1.00 0.00 N ATOM 1639 CA GLU A 108 1.305 9.229 -0.084 1.00 0.00 C ATOM 1640 C GLU A 108 1.328 8.980 1.422 1.00 0.00 C ATOM 1641 O GLU A 108 1.784 9.822 2.195 1.00 0.00 O ATOM 1642 CB GLU A 108 2.621 8.761 -0.709 1.00 0.00 C ATOM 1643 CG GLU A 108 2.560 8.620 -2.221 1.00 0.00 C ATOM 1644 CD GLU A 108 2.944 9.897 -2.942 1.00 0.00 C ATOM 1645 OE1 GLU A 108 2.896 10.972 -2.308 1.00 0.00 O ATOM 1646 OE2 GLU A 108 3.291 9.822 -4.139 1.00 0.00 O ATOM 0 H GLU A 108 1.490 11.281 0.304 1.00 0.00 H new ATOM 0 HA GLU A 108 0.483 8.659 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.409 9.469 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.899 7.801 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.226 7.816 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.551 8.331 -2.515 1.00 0.00 H new ATOM 1653 N VAL A 109 0.832 7.816 1.831 1.00 0.00 N ATOM 1654 CA VAL A 109 0.795 7.455 3.243 1.00 0.00 C ATOM 1655 C VAL A 109 0.682 5.945 3.421 1.00 0.00 C ATOM 1656 O VAL A 109 -0.327 5.340 3.057 1.00 0.00 O ATOM 1657 CB VAL A 109 -0.382 8.136 3.966 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.667 7.970 3.169 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.540 7.575 5.371 1.00 0.00 C ATOM 0 H VAL A 109 0.450 7.107 1.204 1.00 0.00 H new ATOM 0 HA VAL A 109 1.730 7.801 3.683 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.168 9.202 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.487 8.458 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.546 8.424 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.889 6.909 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.376 8.067 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.731 6.503 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.374 7.752 5.938 1.00 0.00 H new ATOM 1669 N THR A 110 1.724 5.341 3.983 1.00 0.00 N ATOM 1670 CA THR A 110 1.742 3.901 4.209 1.00 0.00 C ATOM 1671 C THR A 110 0.949 3.531 5.457 1.00 0.00 C ATOM 1672 O THR A 110 1.412 3.726 6.580 1.00 0.00 O ATOM 1673 CB THR A 110 3.182 3.373 4.354 1.00 0.00 C ATOM 1674 OG1 THR A 110 4.086 4.212 3.627 1.00 0.00 O ATOM 1675 CG2 THR A 110 3.288 1.944 3.846 1.00 0.00 C ATOM 0 H THR A 110 2.567 5.827 4.290 1.00 0.00 H new ATOM 0 HA THR A 110 1.279 3.438 3.337 1.00 0.00 H new ATOM 0 HB THR A 110 3.446 3.386 5.412 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.000 3.871 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.314 1.593 3.959 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.620 1.303 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.006 1.910 2.794 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.250 2.993 5.254 1.00 0.00 N ATOM 1684 CA GLY A 111 -1.088 2.603 6.372 1.00 0.00 C ATOM 1685 C GLY A 111 -1.549 1.162 6.277 1.00 0.00 C ATOM 1686 O GLY A 111 -2.400 0.830 5.452 1.00 0.00 O ATOM 0 H GLY A 111 -0.656 2.820 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.537 2.744 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.959 3.258 6.415 1.00 0.00 H new ATOM 1690 N GLN A 112 -0.984 0.305 7.121 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.341 -1.109 7.126 1.00 0.00 C ATOM 1692 C GLN A 112 -1.721 -1.570 8.530 1.00 0.00 C ATOM 1693 O GLN A 112 -1.761 -0.772 9.467 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.179 -1.952 6.597 1.00 0.00 C ATOM 1695 CG GLN A 112 1.019 -1.992 7.532 1.00 0.00 C ATOM 1696 CD GLN A 112 2.327 -2.202 6.795 1.00 0.00 C ATOM 1697 OE1 GLN A 112 2.553 -1.412 5.752 1.00 0.00 O flip ATOM 1698 NE2 GLN A 112 3.126 -3.065 7.159 1.00 0.00 N flip ATOM 0 H GLN A 112 -0.278 0.565 7.810 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.204 -1.242 6.474 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.529 -2.970 6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.137 -1.555 5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.068 -1.059 8.093 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.882 -2.794 8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.912 -3.650 7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.002 -3.195 6.653 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.000 -2.862 8.668 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.378 -3.429 9.957 1.00 0.00 C ATOM 1709 C PHE A 113 -1.917 -4.879 10.069 1.00 0.00 C ATOM 1710 O PHE A 113 -1.236 -5.396 9.184 1.00 0.00 O ATOM 1711 CB PHE A 113 -3.894 -3.347 10.149 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.670 -4.134 9.132 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -4.757 -3.700 7.819 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.313 -5.309 9.489 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.471 -4.422 6.881 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -6.027 -6.035 8.555 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.107 -5.591 7.250 1.00 0.00 C ATOM 0 H PHE A 113 -1.971 -3.536 7.903 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.888 -2.849 10.739 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.146 -3.708 11.146 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.202 -2.303 10.101 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.261 -2.787 7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.255 -5.661 10.508 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.531 -4.072 5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.522 -6.950 8.846 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.666 -6.157 6.519 1.00 0.00 H new ATOM 1727 N SER A 114 -2.293 -5.529 11.166 1.00 0.00 N ATOM 1728 CA SER A 114 -1.916 -6.919 11.398 1.00 0.00 C ATOM 1729 C SER A 114 -3.124 -7.746 11.827 1.00 0.00 C ATOM 1730 O SER A 114 -4.011 -7.254 12.525 1.00 0.00 O ATOM 1731 CB SER A 114 -0.822 -7.001 12.464 1.00 0.00 C ATOM 1732 OG SER A 114 0.344 -6.308 12.053 1.00 0.00 O ATOM 0 H SER A 114 -2.858 -5.116 11.908 1.00 0.00 H new ATOM 0 HA SER A 114 -1.533 -7.327 10.462 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.189 -6.579 13.399 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.578 -8.045 12.660 1.00 0.00 H new ATOM 0 HG SER A 114 1.027 -6.374 12.752 1.00 0.00 H new ATOM 1738 N VAL A 115 -3.150 -9.006 11.405 1.00 0.00 N ATOM 1739 CA VAL A 115 -4.248 -9.903 11.746 1.00 0.00 C ATOM 1740 C VAL A 115 -3.737 -11.150 12.459 1.00 0.00 C ATOM 1741 O VAL A 115 -2.715 -11.721 12.079 1.00 0.00 O ATOM 1742 CB VAL A 115 -5.035 -10.329 10.492 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -6.277 -11.115 10.882 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.404 -9.112 9.656 1.00 0.00 C ATOM 0 H VAL A 115 -2.424 -9.429 10.827 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.911 -9.352 12.413 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.400 -10.977 9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.820 -11.407 9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.984 -12.007 11.435 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.919 -10.495 11.508 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.959 -9.431 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.021 -8.437 10.249 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.496 -8.595 9.345 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.456 -11.567 13.497 1.00 0.00 N ATOM 1755 CA HIS A 116 -4.076 -12.748 14.264 1.00 0.00 C ATOM 1756 C HIS A 116 -5.244 -13.724 14.374 1.00 0.00 C ATOM 1757 O HIS A 116 -6.396 -13.331 14.560 1.00 0.00 O ATOM 1758 CB HIS A 116 -3.600 -12.344 15.660 1.00 0.00 C ATOM 1759 CG HIS A 116 -4.496 -11.350 16.333 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -5.641 -11.708 17.013 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.408 -10.003 16.430 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -6.220 -10.624 17.497 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -5.491 -9.576 17.158 1.00 0.00 N ATOM 0 H HIS A 116 -5.304 -11.105 13.826 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.259 -13.244 13.739 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -3.528 -13.236 16.283 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.597 -11.925 15.586 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -5.987 -12.661 17.125 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.631 -9.380 16.013 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.134 -10.599 18.072 1.00 0.00 H new ATOM 1772 N PRO A 117 -4.942 -15.025 14.256 1.00 0.00 N ATOM 1773 CA PRO A 117 -5.954 -16.083 14.339 1.00 0.00 C ATOM 1774 C PRO A 117 -6.514 -16.240 15.749 1.00 0.00 C ATOM 1775 O PRO A 117 -6.106 -17.131 16.493 1.00 0.00 O ATOM 1776 CB PRO A 117 -5.186 -17.341 13.926 1.00 0.00 C ATOM 1777 CG PRO A 117 -3.764 -17.042 14.254 1.00 0.00 C ATOM 1778 CD PRO A 117 -3.590 -15.565 14.034 1.00 0.00 C ATOM 0 HA PRO A 117 -6.819 -15.870 13.711 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.541 -18.217 14.468 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.312 -17.551 12.864 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.536 -17.312 15.285 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -3.088 -17.614 13.618 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.868 -15.138 14.729 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -3.231 -15.348 13.028 1.00 0.00 H new