USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 706 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 62 SER OG : rot -41:sc= 0.00765 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= -0.4 USER MOD Set 2.1: A 51 GLN : amide:sc= 0.145 X(o=-2,f=-2.1) USER MOD Set 2.2: A 53 SER OG : rot -139:sc= -2.1 USER MOD Set 3.1: A 43 ASN : amide:sc= -3.19! C(o=-5.4!,f=-4.9!) USER MOD Set 3.2: A 58 THR OG1 : rot 120:sc= -2.23! USER MOD Set 4.1: A 7 THR OG1 : rot -130:sc= 0.192 USER MOD Set 4.2: A 93 ASN : amide:sc= -0.673! C(o=-0.48!,f=-6.6!) USER MOD Single : A 10 ASN : amide:sc= -7.22! C(o=-7.2!,f=-19!) USER MOD Single : A 11 THR OG1 : rot 39:sc= -1.02 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -160:sc= -1.06 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0581 K(o=-0.058,f=-0.84) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 32 SER OG : rot 180:sc= -0.442 USER MOD Single : A 33 THR OG1 : rot 69:sc= -0.938 USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.792) USER MOD Single : A 36 ASN : amide:sc= -3.41! C(o=-3.4!,f=-11!) USER MOD Single : A 40 HIS : no HD1:sc= -3.01 K(o=-3,f=-1.4) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.3! C(o=-3.3!,f=-5.8!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -39:sc= 2.05 USER MOD Single : A 61 ASN : amide:sc= -0.071 K(o=-0.071,f=-0.87) USER MOD Single : A 65 GLN : amide:sc= -0.0497 X(o=-0.05,f=0) USER MOD Single : A 67 SER OG : rot 96:sc= 0.613 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.354 K(o=-0.35,f=-5.2!) USER MOD Single : A 82 THR OG1 : rot 48:sc= 0.715 USER MOD Single : A 83 SER OG : rot -120:sc= 0.156 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -6.69! C(o=-6.7!,f=-4.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 81:sc= 0.00782 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 10.977 -4.901 -5.136 1.00 0.00 N ATOM 59 CA PHE A 4 11.731 -5.970 -5.794 1.00 0.00 C ATOM 60 C PHE A 4 13.204 -5.944 -5.385 1.00 0.00 C ATOM 61 O PHE A 4 13.820 -6.993 -5.205 1.00 0.00 O ATOM 62 CB PHE A 4 11.595 -5.869 -7.319 1.00 0.00 C ATOM 63 CG PHE A 4 12.407 -4.770 -7.946 1.00 0.00 C ATOM 64 CD1 PHE A 4 11.954 -3.462 -7.932 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.621 -5.050 -8.553 1.00 0.00 C ATOM 66 CE1 PHE A 4 12.697 -2.452 -8.512 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.368 -4.043 -9.134 1.00 0.00 C ATOM 68 CZ PHE A 4 13.906 -2.742 -9.113 1.00 0.00 C ATOM 0 HA PHE A 4 11.310 -6.922 -5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 4 11.891 -6.820 -7.761 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.545 -5.715 -7.568 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.010 -3.229 -7.463 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.987 -6.066 -8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.332 -1.436 -8.495 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.313 -4.273 -9.604 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.489 -1.953 -9.565 1.00 0.00 H new ATOM 78 N ILE A 5 13.767 -4.747 -5.239 1.00 0.00 N ATOM 79 CA ILE A 5 15.170 -4.616 -4.851 1.00 0.00 C ATOM 80 C ILE A 5 15.407 -5.143 -3.438 1.00 0.00 C ATOM 81 O ILE A 5 16.545 -5.397 -3.045 1.00 0.00 O ATOM 82 CB ILE A 5 15.647 -3.150 -4.931 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.175 -3.083 -4.860 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.024 -2.316 -3.817 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.858 -3.489 -6.147 1.00 0.00 C ATOM 0 H ILE A 5 13.280 -3.862 -5.382 1.00 0.00 H new ATOM 0 HA ILE A 5 15.746 -5.214 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 5 15.324 -2.736 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.475 -2.067 -4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.522 -3.730 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.375 -1.287 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.938 -2.337 -3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.313 -2.727 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.939 -3.417 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.588 -4.516 -6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.540 -2.827 -6.952 1.00 0.00 H new ATOM 97 N GLU A 6 14.329 -5.320 -2.682 1.00 0.00 N ATOM 98 CA GLU A 6 14.439 -5.833 -1.321 1.00 0.00 C ATOM 99 C GLU A 6 14.715 -7.335 -1.332 1.00 0.00 C ATOM 100 O GLU A 6 15.292 -7.876 -0.389 1.00 0.00 O ATOM 101 CB GLU A 6 13.159 -5.541 -0.534 1.00 0.00 C ATOM 102 CG GLU A 6 13.124 -4.152 0.084 1.00 0.00 C ATOM 103 CD GLU A 6 14.007 -4.035 1.312 1.00 0.00 C ATOM 104 OE1 GLU A 6 14.118 -5.028 2.060 1.00 0.00 O ATOM 105 OE2 GLU A 6 14.587 -2.949 1.525 1.00 0.00 O ATOM 0 H GLU A 6 13.376 -5.118 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 6 15.274 -5.329 -0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.301 -5.656 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.052 -6.284 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.443 -3.420 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.097 -3.905 0.355 1.00 0.00 H new ATOM 112 N THR A 7 14.307 -8.001 -2.411 1.00 0.00 N ATOM 113 CA THR A 7 14.522 -9.437 -2.552 1.00 0.00 C ATOM 114 C THR A 7 15.394 -9.756 -3.769 1.00 0.00 C ATOM 115 O THR A 7 15.404 -10.889 -4.253 1.00 0.00 O ATOM 116 CB THR A 7 13.182 -10.165 -2.664 1.00 0.00 C ATOM 117 OG1 THR A 7 12.556 -9.875 -3.901 1.00 0.00 O ATOM 118 CG2 THR A 7 12.211 -9.801 -1.561 1.00 0.00 C ATOM 0 H THR A 7 13.826 -7.568 -3.199 1.00 0.00 H new ATOM 0 HA THR A 7 15.046 -9.783 -1.661 1.00 0.00 H new ATOM 0 HB THR A 7 13.420 -11.225 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.628 -9.603 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.281 -10.352 -1.699 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.645 -10.058 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.007 -8.731 -1.594 1.00 0.00 H new ATOM 126 N CYS A 8 16.114 -8.758 -4.272 1.00 0.00 N ATOM 127 CA CYS A 8 16.963 -8.955 -5.439 1.00 0.00 C ATOM 128 C CYS A 8 18.348 -8.352 -5.229 1.00 0.00 C ATOM 129 O CYS A 8 18.521 -7.422 -4.440 1.00 0.00 O ATOM 130 CB CYS A 8 16.307 -8.342 -6.679 1.00 0.00 C ATOM 131 SG CYS A 8 14.653 -9.013 -7.054 1.00 0.00 S ATOM 0 H CYS A 8 16.126 -7.811 -3.892 1.00 0.00 H new ATOM 0 HA CYS A 8 17.082 -10.028 -5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.227 -7.264 -6.539 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.957 -8.505 -7.539 1.00 0.00 H new ATOM 136 N ARG A 9 19.330 -8.889 -5.944 1.00 0.00 N ATOM 137 CA ARG A 9 20.703 -8.412 -5.838 1.00 0.00 C ATOM 138 C ARG A 9 21.327 -8.219 -7.216 1.00 0.00 C ATOM 139 O ARG A 9 20.734 -8.578 -8.233 1.00 0.00 O ATOM 140 CB ARG A 9 21.545 -9.392 -5.020 1.00 0.00 C ATOM 141 CG ARG A 9 21.473 -10.825 -5.524 1.00 0.00 C ATOM 142 CD ARG A 9 22.736 -11.598 -5.180 1.00 0.00 C ATOM 143 NE ARG A 9 23.775 -11.428 -6.193 1.00 0.00 N ATOM 144 CZ ARG A 9 25.031 -11.842 -6.043 1.00 0.00 C ATOM 145 NH1 ARG A 9 25.407 -12.452 -4.926 1.00 0.00 N ATOM 146 NH2 ARG A 9 25.914 -11.646 -7.013 1.00 0.00 N ATOM 0 H ARG A 9 19.200 -9.656 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 9 20.683 -7.447 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.584 -9.063 -5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.214 -9.364 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.609 -11.324 -5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.327 -10.826 -6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.114 -11.264 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 9 22.497 -12.657 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 9 23.523 -10.965 -7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.732 -12.606 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 9 26.371 -12.767 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.630 -11.178 -7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 9 26.877 -11.963 -6.898 1.00 0.00 H new ATOM 160 N ASN A 10 22.529 -7.643 -7.238 1.00 0.00 N ATOM 161 CA ASN A 10 23.259 -7.388 -8.480 1.00 0.00 C ATOM 162 C ASN A 10 22.390 -6.701 -9.529 1.00 0.00 C ATOM 163 O ASN A 10 22.230 -7.199 -10.644 1.00 0.00 O ATOM 164 CB ASN A 10 23.859 -8.686 -9.040 1.00 0.00 C ATOM 165 CG ASN A 10 22.814 -9.676 -9.518 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.225 -10.407 -8.722 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.588 -9.714 -10.826 1.00 0.00 N ATOM 0 H ASN A 10 23.023 -7.341 -6.398 1.00 0.00 H new ATOM 0 HA ASN A 10 24.073 -6.705 -8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.524 -8.442 -9.869 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.470 -9.157 -8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.903 -10.367 -11.206 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.099 -9.090 -11.450 1.00 0.00 H new ATOM 174 N THR A 11 21.851 -5.538 -9.174 1.00 0.00 N ATOM 175 CA THR A 11 21.032 -4.772 -10.100 1.00 0.00 C ATOM 176 C THR A 11 21.930 -4.015 -11.070 1.00 0.00 C ATOM 177 O THR A 11 22.911 -3.391 -10.666 1.00 0.00 O ATOM 178 CB THR A 11 20.115 -3.808 -9.347 1.00 0.00 C ATOM 179 OG1 THR A 11 20.796 -3.215 -8.256 1.00 0.00 O ATOM 180 CG2 THR A 11 18.869 -4.474 -8.805 1.00 0.00 C ATOM 0 H THR A 11 21.967 -5.109 -8.256 1.00 0.00 H new ATOM 0 HA THR A 11 20.400 -5.459 -10.663 1.00 0.00 H new ATOM 0 HB THR A 11 19.819 -3.057 -10.079 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.720 -3.018 -8.515 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.261 -3.736 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.296 -4.898 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.152 -5.268 -8.113 1.00 0.00 H new ATOM 188 N GLN A 12 21.600 -4.091 -12.350 1.00 0.00 N ATOM 189 CA GLN A 12 22.392 -3.432 -13.382 1.00 0.00 C ATOM 190 C GLN A 12 21.574 -3.192 -14.640 1.00 0.00 C ATOM 191 O GLN A 12 20.516 -3.791 -14.829 1.00 0.00 O ATOM 192 CB GLN A 12 23.635 -4.257 -13.710 1.00 0.00 C ATOM 193 CG GLN A 12 23.321 -5.669 -14.173 1.00 0.00 C ATOM 194 CD GLN A 12 24.566 -6.451 -14.541 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.393 -6.764 -13.685 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.706 -6.770 -15.823 1.00 0.00 N ATOM 0 H GLN A 12 20.790 -4.602 -12.701 1.00 0.00 H new ATOM 0 HA GLN A 12 22.703 -2.463 -12.993 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.205 -3.747 -14.486 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.272 -4.306 -12.827 1.00 0.00 H new ATOM 0 HG2 GLN A 12 22.785 -6.196 -13.383 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.656 -5.625 -15.035 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.995 -6.490 -16.499 1.00 0.00 H new ATOM 0 HE22 GLN A 12 25.524 -7.295 -16.131 1.00 0.00 H new ATOM 205 N LEU A 13 22.076 -2.318 -15.503 1.00 0.00 N ATOM 206 CA LEU A 13 21.389 -2.008 -16.745 1.00 0.00 C ATOM 207 C LEU A 13 21.968 -2.817 -17.891 1.00 0.00 C ATOM 208 O LEU A 13 23.185 -2.929 -18.041 1.00 0.00 O ATOM 209 CB LEU A 13 21.509 -0.522 -17.076 1.00 0.00 C ATOM 210 CG LEU A 13 20.813 -0.104 -18.374 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.636 0.805 -18.074 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.788 0.581 -19.323 1.00 0.00 C ATOM 0 H LEU A 13 22.952 -1.815 -15.365 1.00 0.00 H new ATOM 0 HA LEU A 13 20.338 -2.263 -16.613 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.091 0.056 -16.252 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.565 -0.262 -17.145 1.00 0.00 H new ATOM 0 HG LEU A 13 20.443 -1.004 -18.864 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.152 1.093 -19.007 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.921 0.278 -17.442 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.988 1.698 -17.557 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.266 0.867 -20.236 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.197 1.471 -18.845 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.599 -0.104 -19.568 1.00 0.00 H new ATOM 224 N ALA A 14 21.082 -3.369 -18.704 1.00 0.00 N ATOM 225 CA ALA A 14 21.473 -4.160 -19.854 1.00 0.00 C ATOM 226 C ALA A 14 20.946 -3.499 -21.118 1.00 0.00 C ATOM 227 O ALA A 14 19.859 -2.922 -21.110 1.00 0.00 O ATOM 228 CB ALA A 14 20.940 -5.579 -19.718 1.00 0.00 C ATOM 0 H ALA A 14 20.073 -3.280 -18.583 1.00 0.00 H new ATOM 0 HA ALA A 14 22.560 -4.214 -19.912 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.239 -6.165 -20.587 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.346 -6.035 -18.815 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.852 -5.554 -19.654 1.00 0.00 H new ATOM 234 N GLY A 15 21.713 -3.557 -22.195 1.00 0.00 N ATOM 235 CA GLY A 15 21.278 -2.927 -23.427 1.00 0.00 C ATOM 236 C GLY A 15 21.038 -1.440 -23.236 1.00 0.00 C ATOM 237 O GLY A 15 21.692 -0.809 -22.405 1.00 0.00 O ATOM 0 H GLY A 15 22.619 -4.023 -22.241 1.00 0.00 H new ATOM 0 HA2 GLY A 15 22.031 -3.079 -24.200 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.362 -3.403 -23.777 1.00 0.00 H new ATOM 241 N SER A 16 20.134 -0.865 -24.023 1.00 0.00 N ATOM 242 CA SER A 16 19.868 0.568 -23.938 1.00 0.00 C ATOM 243 C SER A 16 18.823 0.922 -22.880 1.00 0.00 C ATOM 244 O SER A 16 18.939 1.957 -22.225 1.00 0.00 O ATOM 245 CB SER A 16 19.384 1.086 -25.290 1.00 0.00 C ATOM 246 OG SER A 16 20.100 0.483 -26.355 1.00 0.00 O ATOM 0 H SER A 16 19.579 -1.362 -24.719 1.00 0.00 H new ATOM 0 HA SER A 16 20.807 1.039 -23.649 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.319 0.880 -25.401 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.506 2.168 -25.333 1.00 0.00 H new ATOM 0 HG SER A 16 19.770 0.831 -27.210 1.00 0.00 H new ATOM 252 N SER A 17 17.795 0.092 -22.718 1.00 0.00 N ATOM 253 CA SER A 17 16.755 0.392 -21.744 1.00 0.00 C ATOM 254 C SER A 17 16.267 -0.850 -20.997 1.00 0.00 C ATOM 255 O SER A 17 15.087 -0.952 -20.664 1.00 0.00 O ATOM 256 CB SER A 17 15.588 1.078 -22.451 1.00 0.00 C ATOM 257 OG SER A 17 15.342 0.491 -23.716 1.00 0.00 O ATOM 0 H SER A 17 17.663 -0.776 -23.238 1.00 0.00 H new ATOM 0 HA SER A 17 17.185 1.055 -20.994 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.693 1.007 -21.834 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.807 2.139 -22.575 1.00 0.00 H new ATOM 0 HG SER A 17 14.832 1.116 -24.273 1.00 0.00 H new ATOM 263 N GLU A 18 17.172 -1.786 -20.727 1.00 0.00 N ATOM 264 CA GLU A 18 16.814 -3.005 -20.001 1.00 0.00 C ATOM 265 C GLU A 18 17.529 -3.094 -18.659 1.00 0.00 C ATOM 266 O GLU A 18 18.665 -2.648 -18.516 1.00 0.00 O ATOM 267 CB GLU A 18 17.125 -4.257 -20.823 1.00 0.00 C ATOM 268 CG GLU A 18 16.061 -4.595 -21.847 1.00 0.00 C ATOM 269 CD GLU A 18 16.399 -4.092 -23.237 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.261 -4.708 -23.898 1.00 0.00 O ATOM 271 OE2 GLU A 18 15.800 -3.083 -23.665 1.00 0.00 O ATOM 0 H GLU A 18 18.154 -1.727 -20.997 1.00 0.00 H new ATOM 0 HA GLU A 18 15.740 -2.954 -19.822 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.077 -4.117 -21.335 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.247 -5.103 -20.147 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.926 -5.676 -21.880 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.111 -4.165 -21.532 1.00 0.00 H new ATOM 278 N LEU A 19 16.851 -3.689 -17.685 1.00 0.00 N ATOM 279 CA LEU A 19 17.409 -3.870 -16.351 1.00 0.00 C ATOM 280 C LEU A 19 17.468 -5.360 -16.034 1.00 0.00 C ATOM 281 O LEU A 19 16.454 -6.054 -16.107 1.00 0.00 O ATOM 282 CB LEU A 19 16.555 -3.128 -15.314 1.00 0.00 C ATOM 283 CG LEU A 19 16.718 -3.590 -13.863 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.171 -3.485 -13.425 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.824 -2.772 -12.943 1.00 0.00 C ATOM 0 H LEU A 19 15.906 -4.057 -17.796 1.00 0.00 H new ATOM 0 HA LEU A 19 18.417 -3.456 -16.315 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.795 -2.066 -15.366 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.506 -3.232 -15.593 1.00 0.00 H new ATOM 0 HG LEU A 19 16.417 -4.636 -13.800 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.264 -3.818 -12.391 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.790 -4.112 -14.066 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.501 -2.449 -13.504 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.951 -3.112 -11.915 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.096 -1.719 -13.013 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.783 -2.898 -13.241 1.00 0.00 H new ATOM 297 N ALA A 20 18.645 -5.862 -15.680 1.00 0.00 N ATOM 298 CA ALA A 20 18.790 -7.271 -15.361 1.00 0.00 C ATOM 299 C ALA A 20 19.283 -7.446 -13.928 1.00 0.00 C ATOM 300 O ALA A 20 20.079 -6.649 -13.431 1.00 0.00 O ATOM 301 CB ALA A 20 19.729 -7.935 -16.357 1.00 0.00 C ATOM 0 H ALA A 20 19.504 -5.317 -15.608 1.00 0.00 H new ATOM 0 HA ALA A 20 17.817 -7.756 -15.436 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.832 -8.992 -16.111 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.322 -7.835 -17.363 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.706 -7.455 -16.312 1.00 0.00 H new ATOM 307 N ALA A 21 18.789 -8.482 -13.263 1.00 0.00 N ATOM 308 CA ALA A 21 19.159 -8.751 -11.880 1.00 0.00 C ATOM 309 C ALA A 21 18.845 -10.191 -11.497 1.00 0.00 C ATOM 310 O ALA A 21 18.182 -10.911 -12.244 1.00 0.00 O ATOM 311 CB ALA A 21 18.449 -7.784 -10.946 1.00 0.00 C ATOM 0 H ALA A 21 18.130 -9.151 -13.660 1.00 0.00 H new ATOM 0 HA ALA A 21 20.235 -8.606 -11.783 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.735 -7.997 -9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.732 -6.762 -11.197 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.371 -7.899 -11.054 1.00 0.00 H new ATOM 317 N GLU A 22 19.281 -10.594 -10.310 1.00 0.00 N ATOM 318 CA GLU A 22 18.998 -11.928 -9.806 1.00 0.00 C ATOM 319 C GLU A 22 18.059 -11.802 -8.614 1.00 0.00 C ATOM 320 O GLU A 22 18.269 -10.956 -7.743 1.00 0.00 O ATOM 321 CB GLU A 22 20.287 -12.648 -9.397 1.00 0.00 C ATOM 322 CG GLU A 22 21.311 -12.754 -10.516 1.00 0.00 C ATOM 323 CD GLU A 22 21.722 -14.187 -10.800 1.00 0.00 C ATOM 324 OE1 GLU A 22 20.915 -15.102 -10.528 1.00 0.00 O ATOM 325 OE2 GLU A 22 22.850 -14.395 -11.294 1.00 0.00 O ATOM 0 H GLU A 22 19.833 -10.013 -9.679 1.00 0.00 H new ATOM 0 HA GLU A 22 18.529 -12.521 -10.592 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.736 -12.121 -8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.038 -13.650 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.899 -12.312 -11.423 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.194 -12.173 -10.251 1.00 0.00 H new ATOM 332 N CYS A 23 17.014 -12.617 -8.569 1.00 0.00 N ATOM 333 CA CYS A 23 16.062 -12.537 -7.472 1.00 0.00 C ATOM 334 C CYS A 23 15.784 -13.902 -6.860 1.00 0.00 C ATOM 335 O CYS A 23 15.557 -14.884 -7.566 1.00 0.00 O ATOM 336 CB CYS A 23 14.759 -11.905 -7.958 1.00 0.00 C ATOM 337 SG CYS A 23 14.963 -10.231 -8.648 1.00 0.00 S ATOM 0 H CYS A 23 16.806 -13.330 -9.268 1.00 0.00 H new ATOM 0 HA CYS A 23 16.504 -11.913 -6.695 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.315 -12.549 -8.717 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.055 -11.861 -7.127 1.00 0.00 H new ATOM 342 N LYS A 24 15.820 -13.951 -5.535 1.00 0.00 N ATOM 343 CA LYS A 24 15.582 -15.189 -4.811 1.00 0.00 C ATOM 344 C LYS A 24 14.141 -15.663 -4.983 1.00 0.00 C ATOM 345 O LYS A 24 13.198 -14.875 -4.903 1.00 0.00 O ATOM 346 CB LYS A 24 15.906 -15.008 -3.326 1.00 0.00 C ATOM 347 CG LYS A 24 15.029 -13.980 -2.628 1.00 0.00 C ATOM 348 CD LYS A 24 14.765 -14.364 -1.181 1.00 0.00 C ATOM 349 CE LYS A 24 15.704 -13.639 -0.230 1.00 0.00 C ATOM 350 NZ LYS A 24 15.330 -13.856 1.195 1.00 0.00 N ATOM 0 H LYS A 24 16.012 -13.145 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 24 16.240 -15.952 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.798 -15.968 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.950 -14.710 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.512 -13.004 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.082 -13.887 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.732 -14.128 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.885 -15.441 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.725 -13.985 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.690 -12.572 -0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.995 -13.345 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.366 -13.503 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.368 -14.872 1.413 1.00 0.00 H new ATOM 364 N THR A 25 13.984 -16.961 -5.221 1.00 0.00 N ATOM 365 CA THR A 25 12.664 -17.552 -5.405 1.00 0.00 C ATOM 366 C THR A 25 12.045 -17.910 -4.059 1.00 0.00 C ATOM 367 O THR A 25 12.631 -17.644 -3.010 1.00 0.00 O ATOM 368 CB THR A 25 12.755 -18.792 -6.295 1.00 0.00 C ATOM 369 OG1 THR A 25 13.609 -19.764 -5.717 1.00 0.00 O ATOM 370 CG2 THR A 25 13.276 -18.487 -7.683 1.00 0.00 C ATOM 0 H THR A 25 14.756 -17.624 -5.291 1.00 0.00 H new ATOM 0 HA THR A 25 12.024 -16.818 -5.895 1.00 0.00 H new ATOM 0 HB THR A 25 11.735 -19.167 -6.379 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.653 -20.550 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.318 -19.407 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.611 -17.776 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.275 -18.058 -7.610 1.00 0.00 H new ATOM 378 N ARG A 26 10.856 -18.505 -4.087 1.00 0.00 N ATOM 379 CA ARG A 26 10.170 -18.883 -2.857 1.00 0.00 C ATOM 380 C ARG A 26 10.994 -19.883 -2.048 1.00 0.00 C ATOM 381 O ARG A 26 10.892 -19.935 -0.823 1.00 0.00 O ATOM 382 CB ARG A 26 8.796 -19.479 -3.176 1.00 0.00 C ATOM 383 CG ARG A 26 7.820 -18.477 -3.774 1.00 0.00 C ATOM 384 CD ARG A 26 6.814 -17.990 -2.742 1.00 0.00 C ATOM 385 NE ARG A 26 6.015 -16.872 -3.239 1.00 0.00 N ATOM 386 CZ ARG A 26 4.980 -17.010 -4.065 1.00 0.00 C ATOM 387 NH1 ARG A 26 4.614 -18.215 -4.488 1.00 0.00 N ATOM 388 NH2 ARG A 26 4.307 -15.941 -4.470 1.00 0.00 N ATOM 0 H ARG A 26 10.351 -18.734 -4.943 1.00 0.00 H new ATOM 0 HA ARG A 26 10.041 -17.982 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.922 -20.309 -3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.367 -19.890 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.371 -17.626 -4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.292 -18.937 -4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.154 -18.812 -2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.341 -17.685 -1.838 1.00 0.00 H new ATOM 0 HE ARG A 26 6.265 -15.931 -2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.127 -19.041 -4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.820 -18.314 -5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.582 -15.013 -4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.514 -16.047 -5.103 1.00 0.00 H new ATOM 402 N ALA A 27 11.790 -20.692 -2.742 1.00 0.00 N ATOM 403 CA ALA A 27 12.609 -21.705 -2.084 1.00 0.00 C ATOM 404 C ALA A 27 13.924 -21.139 -1.547 1.00 0.00 C ATOM 405 O ALA A 27 14.806 -21.895 -1.139 1.00 0.00 O ATOM 406 CB ALA A 27 12.882 -22.857 -3.038 1.00 0.00 C ATOM 0 H ALA A 27 11.885 -20.666 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 27 12.044 -22.067 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.494 -23.607 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.938 -23.306 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.410 -22.485 -3.916 1.00 0.00 H new ATOM 412 N GLN A 28 14.070 -19.817 -1.566 1.00 0.00 N ATOM 413 CA GLN A 28 15.297 -19.171 -1.100 1.00 0.00 C ATOM 414 C GLN A 28 16.481 -19.499 -2.005 1.00 0.00 C ATOM 415 O GLN A 28 17.614 -19.647 -1.544 1.00 0.00 O ATOM 416 CB GLN A 28 15.610 -19.595 0.338 1.00 0.00 C ATOM 417 CG GLN A 28 14.387 -19.646 1.238 1.00 0.00 C ATOM 418 CD GLN A 28 14.738 -19.520 2.707 1.00 0.00 C ATOM 419 OE1 GLN A 28 15.617 -18.744 3.083 1.00 0.00 O ATOM 420 NE2 GLN A 28 14.052 -20.285 3.547 1.00 0.00 N ATOM 0 H GLN A 28 13.355 -19.171 -1.899 1.00 0.00 H new ATOM 0 HA GLN A 28 15.134 -18.094 -1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.081 -20.578 0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.335 -18.900 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.703 -18.843 0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.859 -20.585 1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.332 -20.914 3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.245 -20.244 4.548 1.00 0.00 H new ATOM 429 N GLN A 29 16.208 -19.563 -3.303 1.00 0.00 N ATOM 430 CA GLN A 29 17.235 -19.818 -4.305 1.00 0.00 C ATOM 431 C GLN A 29 17.333 -18.605 -5.224 1.00 0.00 C ATOM 432 O GLN A 29 16.311 -18.052 -5.627 1.00 0.00 O ATOM 433 CB GLN A 29 16.906 -21.077 -5.113 1.00 0.00 C ATOM 434 CG GLN A 29 17.077 -22.368 -4.328 1.00 0.00 C ATOM 435 CD GLN A 29 16.526 -23.575 -5.062 1.00 0.00 C ATOM 436 OE1 GLN A 29 16.761 -23.750 -6.258 1.00 0.00 O ATOM 437 NE2 GLN A 29 15.787 -24.417 -4.347 1.00 0.00 N ATOM 0 H GLN A 29 15.272 -19.440 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 29 18.192 -19.984 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.878 -21.012 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.546 -21.110 -5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.136 -22.525 -4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.575 -22.273 -3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.617 -24.233 -3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.390 -25.247 -4.787 1.00 0.00 H new ATOM 446 N PHE A 30 18.549 -18.171 -5.539 1.00 0.00 N ATOM 447 CA PHE A 30 18.734 -16.995 -6.390 1.00 0.00 C ATOM 448 C PHE A 30 18.864 -17.374 -7.860 1.00 0.00 C ATOM 449 O PHE A 30 19.715 -18.184 -8.232 1.00 0.00 O ATOM 450 CB PHE A 30 19.976 -16.217 -5.953 1.00 0.00 C ATOM 451 CG PHE A 30 19.967 -15.839 -4.501 1.00 0.00 C ATOM 452 CD1 PHE A 30 20.411 -16.730 -3.538 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.511 -14.593 -4.099 1.00 0.00 C ATOM 454 CE1 PHE A 30 20.402 -16.386 -2.199 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.499 -14.244 -2.762 1.00 0.00 C ATOM 456 CZ PHE A 30 19.945 -15.141 -1.811 1.00 0.00 C ATOM 0 H PHE A 30 19.414 -18.609 -5.223 1.00 0.00 H new ATOM 0 HA PHE A 30 17.848 -16.370 -6.278 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.862 -16.818 -6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.058 -15.312 -6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.768 -17.705 -3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.162 -13.888 -4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 30 20.752 -17.089 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.141 -13.271 -2.461 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.937 -14.870 -0.766 1.00 0.00 H new ATOM 466 N VAL A 31 18.016 -16.779 -8.694 1.00 0.00 N ATOM 467 CA VAL A 31 18.036 -17.044 -10.125 1.00 0.00 C ATOM 468 C VAL A 31 18.051 -15.740 -10.918 1.00 0.00 C ATOM 469 O VAL A 31 17.563 -14.711 -10.452 1.00 0.00 O ATOM 470 CB VAL A 31 16.819 -17.883 -10.557 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.958 -19.317 -10.071 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.532 -17.259 -10.041 1.00 0.00 C ATOM 0 H VAL A 31 17.305 -16.109 -8.400 1.00 0.00 H new ATOM 0 HA VAL A 31 18.945 -17.607 -10.335 1.00 0.00 H new ATOM 0 HB VAL A 31 16.778 -17.897 -11.646 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.088 -19.894 -10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.860 -19.759 -10.495 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.026 -19.328 -8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.682 -17.865 -10.356 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.561 -17.212 -8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.429 -16.252 -10.445 1.00 0.00 H new ATOM 482 N SER A 32 18.642 -15.782 -12.106 1.00 0.00 N ATOM 483 CA SER A 32 18.742 -14.596 -12.951 1.00 0.00 C ATOM 484 C SER A 32 17.390 -14.218 -13.549 1.00 0.00 C ATOM 485 O SER A 32 16.661 -15.066 -14.064 1.00 0.00 O ATOM 486 CB SER A 32 19.761 -14.825 -14.068 1.00 0.00 C ATOM 487 OG SER A 32 21.087 -14.748 -13.573 1.00 0.00 O ATOM 0 H SER A 32 19.059 -16.622 -12.506 1.00 0.00 H new ATOM 0 HA SER A 32 19.075 -13.770 -12.323 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.595 -15.802 -14.521 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.619 -14.082 -14.852 1.00 0.00 H new ATOM 0 HG SER A 32 21.719 -14.900 -14.306 1.00 0.00 H new ATOM 493 N THR A 33 17.074 -12.926 -13.483 1.00 0.00 N ATOM 494 CA THR A 33 15.821 -12.402 -14.015 1.00 0.00 C ATOM 495 C THR A 33 16.049 -11.032 -14.646 1.00 0.00 C ATOM 496 O THR A 33 17.059 -10.380 -14.379 1.00 0.00 O ATOM 497 CB THR A 33 14.766 -12.304 -12.913 1.00 0.00 C ATOM 498 OG1 THR A 33 13.579 -11.715 -13.411 1.00 0.00 O ATOM 499 CG2 THR A 33 15.216 -11.490 -11.720 1.00 0.00 C ATOM 0 H THR A 33 17.676 -12.218 -13.062 1.00 0.00 H new ATOM 0 HA THR A 33 15.458 -13.089 -14.780 1.00 0.00 H new ATOM 0 HB THR A 33 14.594 -13.329 -12.586 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.148 -12.330 -14.041 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.419 -11.462 -10.977 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.104 -11.946 -11.282 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.450 -10.474 -12.040 1.00 0.00 H new ATOM 507 N LYS A 34 15.121 -10.599 -15.491 1.00 0.00 N ATOM 508 CA LYS A 34 15.265 -9.315 -16.156 1.00 0.00 C ATOM 509 C LYS A 34 13.932 -8.587 -16.303 1.00 0.00 C ATOM 510 O LYS A 34 12.864 -9.199 -16.321 1.00 0.00 O ATOM 511 CB LYS A 34 15.895 -9.512 -17.536 1.00 0.00 C ATOM 512 CG LYS A 34 16.378 -8.222 -18.177 1.00 0.00 C ATOM 513 CD LYS A 34 16.932 -8.469 -19.571 1.00 0.00 C ATOM 514 CE LYS A 34 15.821 -8.746 -20.571 1.00 0.00 C ATOM 515 NZ LYS A 34 16.237 -8.432 -21.966 1.00 0.00 N ATOM 0 H LYS A 34 14.272 -11.112 -15.728 1.00 0.00 H new ATOM 0 HA LYS A 34 15.912 -8.698 -15.532 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.736 -10.200 -17.447 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.166 -9.984 -18.195 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.554 -7.511 -18.232 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.148 -7.770 -17.552 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.506 -7.601 -19.895 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.620 -9.314 -19.546 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.528 -9.794 -20.507 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.944 -8.153 -20.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.399 -8.188 -22.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.896 -7.628 -21.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.707 -9.261 -22.383 1.00 0.00 H new ATOM 529 N ILE A 35 14.026 -7.269 -16.431 1.00 0.00 N ATOM 530 CA ILE A 35 12.864 -6.406 -16.601 1.00 0.00 C ATOM 531 C ILE A 35 13.177 -5.383 -17.687 1.00 0.00 C ATOM 532 O ILE A 35 14.179 -4.675 -17.600 1.00 0.00 O ATOM 533 CB ILE A 35 12.509 -5.686 -15.281 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.236 -4.853 -15.438 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.667 -4.816 -14.819 1.00 0.00 C ATOM 536 CD1 ILE A 35 10.005 -5.523 -14.867 1.00 0.00 C ATOM 0 H ILE A 35 14.914 -6.767 -16.420 1.00 0.00 H new ATOM 0 HA ILE A 35 12.005 -7.012 -16.889 1.00 0.00 H new ATOM 0 HB ILE A 35 12.324 -6.444 -14.520 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.378 -3.890 -14.947 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.072 -4.650 -16.496 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.398 -4.317 -13.888 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.547 -5.438 -14.656 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.887 -4.068 -15.581 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.139 -4.877 -15.012 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.839 -6.473 -15.375 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.149 -5.702 -13.802 1.00 0.00 H new ATOM 548 N ASN A 36 12.343 -5.312 -18.722 1.00 0.00 N ATOM 549 CA ASN A 36 12.583 -4.384 -19.822 1.00 0.00 C ATOM 550 C ASN A 36 11.962 -3.023 -19.526 1.00 0.00 C ATOM 551 O ASN A 36 10.752 -2.912 -19.340 1.00 0.00 O ATOM 552 CB ASN A 36 11.998 -4.955 -21.113 1.00 0.00 C ATOM 553 CG ASN A 36 12.625 -4.342 -22.348 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.159 -3.234 -22.301 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.564 -5.063 -23.462 1.00 0.00 N ATOM 0 H ASN A 36 11.502 -5.881 -18.821 1.00 0.00 H new ATOM 0 HA ASN A 36 13.659 -4.252 -19.938 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.147 -6.035 -21.130 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.922 -4.781 -21.130 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.970 -4.703 -24.326 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.111 -5.977 -23.454 1.00 0.00 H new ATOM 562 N LEU A 37 12.795 -1.990 -19.478 1.00 0.00 N ATOM 563 CA LEU A 37 12.319 -0.640 -19.193 1.00 0.00 C ATOM 564 C LEU A 37 11.907 0.107 -20.464 1.00 0.00 C ATOM 565 O LEU A 37 11.275 1.159 -20.387 1.00 0.00 O ATOM 566 CB LEU A 37 13.394 0.148 -18.443 1.00 0.00 C ATOM 567 CG LEU A 37 13.911 -0.527 -17.170 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.041 -1.494 -17.496 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.368 0.515 -16.157 1.00 0.00 C ATOM 0 H LEU A 37 13.801 -2.060 -19.632 1.00 0.00 H new ATOM 0 HA LEU A 37 11.431 -0.731 -18.568 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.235 0.319 -19.115 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.992 1.127 -18.181 1.00 0.00 H new ATOM 0 HG LEU A 37 13.093 -1.096 -16.728 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.395 -1.963 -16.578 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.677 -2.262 -18.179 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.861 -0.950 -17.965 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.732 0.015 -15.259 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.169 1.115 -16.588 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.530 1.162 -15.897 1.00 0.00 H new ATOM 581 N ASP A 38 12.303 -0.404 -21.629 1.00 0.00 N ATOM 582 CA ASP A 38 11.994 0.262 -22.892 1.00 0.00 C ATOM 583 C ASP A 38 10.487 0.495 -23.077 1.00 0.00 C ATOM 584 O ASP A 38 10.067 1.593 -23.438 1.00 0.00 O ATOM 585 CB ASP A 38 12.553 -0.540 -24.073 1.00 0.00 C ATOM 586 CG ASP A 38 11.726 -1.770 -24.405 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.178 -2.390 -23.470 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.626 -2.112 -25.602 1.00 0.00 O ATOM 0 H ASP A 38 12.834 -1.270 -21.724 1.00 0.00 H new ATOM 0 HA ASP A 38 12.473 1.241 -22.861 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.603 0.104 -24.951 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.574 -0.847 -23.845 1.00 0.00 H new ATOM 593 N ASP A 39 9.671 -0.523 -22.817 1.00 0.00 N ATOM 594 CA ASP A 39 8.219 -0.382 -22.950 1.00 0.00 C ATOM 595 C ASP A 39 7.573 0.029 -21.632 1.00 0.00 C ATOM 596 O ASP A 39 6.395 0.377 -21.596 1.00 0.00 O ATOM 597 CB ASP A 39 7.558 -1.657 -23.478 1.00 0.00 C ATOM 598 CG ASP A 39 8.212 -2.923 -22.960 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.866 -2.861 -21.898 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.068 -3.976 -23.617 1.00 0.00 O ATOM 0 H ASP A 39 9.983 -1.446 -22.516 1.00 0.00 H new ATOM 0 HA ASP A 39 8.057 0.409 -23.682 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.505 -1.657 -23.196 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.596 -1.655 -24.567 1.00 0.00 H new ATOM 605 N HIS A 40 8.343 -0.003 -20.546 1.00 0.00 N ATOM 606 CA HIS A 40 7.828 0.383 -19.236 1.00 0.00 C ATOM 607 C HIS A 40 8.190 1.837 -18.963 1.00 0.00 C ATOM 608 O HIS A 40 7.318 2.701 -18.871 1.00 0.00 O ATOM 609 CB HIS A 40 8.412 -0.523 -18.145 1.00 0.00 C ATOM 610 CG HIS A 40 7.625 -1.779 -17.926 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.282 -1.780 -17.609 1.00 0.00 N ATOM 612 CD2 HIS A 40 7.994 -3.082 -17.989 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.861 -3.026 -17.486 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.880 -3.834 -17.712 1.00 0.00 N ATOM 0 H HIS A 40 9.321 -0.291 -20.548 1.00 0.00 H new ATOM 0 HA HIS A 40 6.744 0.272 -19.228 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.435 -0.787 -18.412 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.461 0.034 -17.209 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.981 -3.458 -18.215 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.854 -3.332 -17.242 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.845 -4.853 -17.685 1.00 0.00 H new ATOM 623 N ILE A 41 9.490 2.097 -18.858 1.00 0.00 N ATOM 624 CA ILE A 41 9.987 3.444 -18.627 1.00 0.00 C ATOM 625 C ILE A 41 10.019 4.234 -19.932 1.00 0.00 C ATOM 626 O ILE A 41 10.235 3.670 -21.002 1.00 0.00 O ATOM 627 CB ILE A 41 11.402 3.432 -18.010 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.449 2.514 -16.786 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.832 4.843 -17.636 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.412 2.848 -15.737 1.00 0.00 C ATOM 0 H ILE A 41 10.219 1.387 -18.930 1.00 0.00 H new ATOM 0 HA ILE A 41 9.305 3.921 -17.923 1.00 0.00 H new ATOM 0 HB ILE A 41 12.098 3.045 -18.755 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.307 1.483 -17.110 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.440 2.573 -16.336 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.832 4.816 -17.203 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.840 5.469 -18.528 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.133 5.256 -16.909 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.505 2.156 -14.900 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.567 3.868 -15.384 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.415 2.761 -16.170 1.00 0.00 H new ATOM 642 N ALA A 42 9.793 5.537 -19.829 1.00 0.00 N ATOM 643 CA ALA A 42 9.792 6.409 -21.005 1.00 0.00 C ATOM 644 C ALA A 42 10.442 7.758 -20.710 1.00 0.00 C ATOM 645 O ALA A 42 10.770 8.068 -19.564 1.00 0.00 O ATOM 646 CB ALA A 42 8.371 6.610 -21.507 1.00 0.00 C ATOM 0 H ALA A 42 9.608 6.016 -18.948 1.00 0.00 H new ATOM 0 HA ALA A 42 10.383 5.920 -21.780 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.383 7.260 -22.382 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.941 5.646 -21.777 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.769 7.068 -20.722 1.00 0.00 H new ATOM 652 N ASN A 43 10.642 8.546 -21.765 1.00 0.00 N ATOM 653 CA ASN A 43 11.267 9.861 -21.647 1.00 0.00 C ATOM 654 C ASN A 43 10.271 10.973 -21.974 1.00 0.00 C ATOM 655 O ASN A 43 9.845 11.118 -23.119 1.00 0.00 O ATOM 656 CB ASN A 43 12.472 9.944 -22.586 1.00 0.00 C ATOM 657 CG ASN A 43 13.142 11.303 -22.571 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.849 11.648 -21.624 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.920 12.080 -23.624 1.00 0.00 N ATOM 0 H ASN A 43 10.378 8.294 -22.717 1.00 0.00 H new ATOM 0 HA ASN A 43 11.598 9.995 -20.617 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.199 9.183 -22.303 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.150 9.715 -23.602 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.343 13.007 -23.672 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.326 11.750 -24.385 1.00 0.00 H new ATOM 666 N ILE A 44 9.913 11.761 -20.966 1.00 0.00 N ATOM 667 CA ILE A 44 8.978 12.865 -21.153 1.00 0.00 C ATOM 668 C ILE A 44 9.693 14.210 -21.011 1.00 0.00 C ATOM 669 O ILE A 44 9.772 14.767 -19.917 1.00 0.00 O ATOM 670 CB ILE A 44 7.804 12.782 -20.149 1.00 0.00 C ATOM 671 CG1 ILE A 44 6.906 11.589 -20.484 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.990 14.071 -20.151 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.591 10.249 -20.325 1.00 0.00 C ATOM 0 H ILE A 44 10.256 11.656 -20.011 1.00 0.00 H new ATOM 0 HA ILE A 44 8.573 12.785 -22.162 1.00 0.00 H new ATOM 0 HB ILE A 44 8.220 12.645 -19.151 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.026 11.616 -19.841 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.554 11.688 -21.511 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.171 13.985 -19.437 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.631 14.907 -19.870 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.585 14.244 -21.148 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.893 9.451 -20.580 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.455 10.201 -20.988 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.919 10.128 -19.293 1.00 0.00 H new ATOM 685 N ASP A 45 10.214 14.724 -22.125 1.00 0.00 N ATOM 686 CA ASP A 45 10.924 16.005 -22.131 1.00 0.00 C ATOM 687 C ASP A 45 12.238 15.917 -21.360 1.00 0.00 C ATOM 688 O ASP A 45 12.621 16.853 -20.659 1.00 0.00 O ATOM 689 CB ASP A 45 10.048 17.111 -21.540 1.00 0.00 C ATOM 690 CG ASP A 45 10.667 18.486 -21.706 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.646 18.608 -22.473 1.00 0.00 O ATOM 692 OD2 ASP A 45 10.175 19.440 -21.068 1.00 0.00 O ATOM 0 H ASP A 45 10.158 14.272 -23.038 1.00 0.00 H new ATOM 0 HA ASP A 45 11.152 16.248 -23.169 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.071 17.094 -22.022 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.884 16.914 -20.481 1.00 0.00 H new ATOM 697 N GLY A 46 12.936 14.797 -21.509 1.00 0.00 N ATOM 698 CA GLY A 46 14.208 14.622 -20.833 1.00 0.00 C ATOM 699 C GLY A 46 14.067 14.089 -19.419 1.00 0.00 C ATOM 700 O GLY A 46 15.066 13.898 -18.726 1.00 0.00 O ATOM 0 H GLY A 46 12.644 14.008 -22.085 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.828 13.938 -21.412 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.731 15.578 -20.803 1.00 0.00 H new ATOM 704 N THR A 47 12.835 13.838 -18.985 1.00 0.00 N ATOM 705 CA THR A 47 12.593 13.319 -17.645 1.00 0.00 C ATOM 706 C THR A 47 12.052 11.895 -17.710 1.00 0.00 C ATOM 707 O THR A 47 11.189 11.585 -18.531 1.00 0.00 O ATOM 708 CB THR A 47 11.606 14.220 -16.898 1.00 0.00 C ATOM 709 OG1 THR A 47 11.942 15.585 -17.074 1.00 0.00 O ATOM 710 CG2 THR A 47 11.553 13.947 -15.410 1.00 0.00 C ATOM 0 H THR A 47 11.992 13.985 -19.541 1.00 0.00 H new ATOM 0 HA THR A 47 13.540 13.307 -17.106 1.00 0.00 H new ATOM 0 HB THR A 47 10.629 13.995 -17.326 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.299 16.145 -16.591 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.834 14.620 -14.942 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.247 12.915 -15.240 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.539 14.110 -14.975 1.00 0.00 H new ATOM 718 N LEU A 48 12.590 11.025 -16.864 1.00 0.00 N ATOM 719 CA LEU A 48 12.184 9.625 -16.860 1.00 0.00 C ATOM 720 C LEU A 48 10.842 9.440 -16.164 1.00 0.00 C ATOM 721 O LEU A 48 10.685 9.734 -14.979 1.00 0.00 O ATOM 722 CB LEU A 48 13.246 8.764 -16.172 1.00 0.00 C ATOM 723 CG LEU A 48 14.509 8.505 -16.994 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.694 8.238 -16.079 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.296 7.336 -17.945 1.00 0.00 C ATOM 0 H LEU A 48 13.304 11.262 -16.176 1.00 0.00 H new ATOM 0 HA LEU A 48 12.079 9.308 -17.898 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.533 9.247 -15.238 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.799 7.805 -15.911 1.00 0.00 H new ATOM 0 HG LEU A 48 14.724 9.395 -17.585 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.584 8.056 -16.681 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.860 9.103 -15.437 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.488 7.363 -15.462 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.205 7.166 -18.522 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.057 6.440 -17.372 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.473 7.564 -18.623 1.00 0.00 H new ATOM 737 N LYS A 49 9.880 8.940 -16.934 1.00 0.00 N ATOM 738 CA LYS A 49 8.533 8.691 -16.447 1.00 0.00 C ATOM 739 C LYS A 49 8.040 7.343 -16.956 1.00 0.00 C ATOM 740 O LYS A 49 8.594 6.792 -17.906 1.00 0.00 O ATOM 741 CB LYS A 49 7.578 9.796 -16.899 1.00 0.00 C ATOM 742 CG LYS A 49 8.164 11.194 -16.801 1.00 0.00 C ATOM 743 CD LYS A 49 7.072 12.251 -16.778 1.00 0.00 C ATOM 744 CE LYS A 49 7.639 13.638 -16.527 1.00 0.00 C ATOM 745 NZ LYS A 49 6.894 14.358 -15.458 1.00 0.00 N ATOM 0 H LYS A 49 10.016 8.697 -17.915 1.00 0.00 H new ATOM 0 HA LYS A 49 8.558 8.681 -15.357 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.283 9.608 -17.931 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.672 9.749 -16.295 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.770 11.274 -15.898 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.828 11.372 -17.647 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.537 12.243 -17.728 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.347 12.008 -16.002 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.689 13.555 -16.245 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.601 14.218 -17.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.312 15.300 -15.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.897 14.460 -15.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.951 13.818 -14.571 1.00 0.00 H new ATOM 759 N TRP A 50 6.997 6.815 -16.330 1.00 0.00 N ATOM 760 CA TRP A 50 6.447 5.528 -16.738 1.00 0.00 C ATOM 761 C TRP A 50 5.440 5.700 -17.875 1.00 0.00 C ATOM 762 O TRP A 50 4.433 6.392 -17.729 1.00 0.00 O ATOM 763 CB TRP A 50 5.799 4.828 -15.542 1.00 0.00 C ATOM 764 CG TRP A 50 6.817 4.244 -14.614 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.545 3.109 -14.813 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.240 4.778 -13.355 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.402 2.908 -13.760 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.231 3.918 -12.851 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.882 5.901 -12.607 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.866 4.145 -11.636 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.514 6.124 -11.400 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.496 5.250 -10.925 1.00 0.00 C ATOM 0 H TRP A 50 6.517 7.253 -15.544 1.00 0.00 H new ATOM 0 HA TRP A 50 7.263 4.906 -17.106 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.179 5.540 -14.998 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.138 4.038 -15.899 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.460 2.462 -15.674 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.059 2.133 -13.669 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.125 6.583 -12.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.625 3.471 -11.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.245 6.989 -10.812 1.00 0.00 H new ATOM 0 HH2 TRP A 50 8.971 5.453 -9.977 1.00 0.00 H new ATOM 783 N GLN A 51 5.731 5.070 -19.011 1.00 0.00 N ATOM 784 CA GLN A 51 4.865 5.153 -20.186 1.00 0.00 C ATOM 785 C GLN A 51 5.367 4.212 -21.282 1.00 0.00 C ATOM 786 O GLN A 51 6.568 3.966 -21.388 1.00 0.00 O ATOM 787 CB GLN A 51 4.825 6.595 -20.704 1.00 0.00 C ATOM 788 CG GLN A 51 3.914 6.794 -21.905 1.00 0.00 C ATOM 789 CD GLN A 51 3.944 8.217 -22.429 1.00 0.00 C ATOM 790 OE1 GLN A 51 4.609 8.511 -23.422 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.220 9.110 -21.762 1.00 0.00 N ATOM 0 H GLN A 51 6.563 4.494 -19.143 1.00 0.00 H new ATOM 0 HA GLN A 51 3.857 4.850 -19.903 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.496 7.251 -19.898 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.836 6.902 -20.972 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.213 6.111 -22.700 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.892 6.534 -21.629 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.683 8.823 -20.944 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.201 10.083 -22.069 1.00 0.00 H new ATOM 800 N PRO A 52 4.456 3.654 -22.106 1.00 0.00 N ATOM 801 CA PRO A 52 4.832 2.723 -23.175 1.00 0.00 C ATOM 802 C PRO A 52 5.639 3.390 -24.284 1.00 0.00 C ATOM 803 O PRO A 52 5.200 3.478 -25.432 1.00 0.00 O ATOM 804 CB PRO A 52 3.495 2.197 -23.713 1.00 0.00 C ATOM 805 CG PRO A 52 2.459 2.638 -22.729 1.00 0.00 C ATOM 806 CD PRO A 52 3.003 3.866 -22.055 1.00 0.00 C ATOM 0 HA PRO A 52 5.481 1.933 -22.797 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.288 2.598 -24.705 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.510 1.111 -23.805 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.516 2.857 -23.231 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.258 1.853 -22.000 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.709 4.777 -22.577 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.644 3.956 -21.030 1.00 0.00 H new ATOM 814 N SER A 53 6.833 3.834 -23.924 1.00 0.00 N ATOM 815 CA SER A 53 7.749 4.475 -24.857 1.00 0.00 C ATOM 816 C SER A 53 9.167 4.357 -24.313 1.00 0.00 C ATOM 817 O SER A 53 9.394 4.563 -23.124 1.00 0.00 O ATOM 818 CB SER A 53 7.371 5.944 -25.072 1.00 0.00 C ATOM 819 OG SER A 53 6.968 6.553 -23.859 1.00 0.00 O ATOM 0 H SER A 53 7.196 3.760 -22.974 1.00 0.00 H new ATOM 0 HA SER A 53 7.687 3.977 -25.825 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.222 6.484 -25.488 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.564 6.011 -25.801 1.00 0.00 H new ATOM 0 HG SER A 53 6.190 7.126 -24.023 1.00 0.00 H new ATOM 825 N ASN A 54 10.110 3.983 -25.169 1.00 0.00 N ATOM 826 CA ASN A 54 11.497 3.798 -24.739 1.00 0.00 C ATOM 827 C ASN A 54 12.250 5.118 -24.654 1.00 0.00 C ATOM 828 O ASN A 54 12.584 5.727 -25.671 1.00 0.00 O ATOM 829 CB ASN A 54 12.242 2.852 -25.687 1.00 0.00 C ATOM 830 CG ASN A 54 11.341 1.810 -26.334 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.206 1.597 -25.909 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.850 1.153 -27.370 1.00 0.00 N ATOM 0 H ASN A 54 9.945 3.802 -26.159 1.00 0.00 H new ATOM 0 HA ASN A 54 11.458 3.360 -23.742 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.725 3.439 -26.468 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.033 2.345 -25.134 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.295 0.441 -27.845 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.796 1.360 -27.691 1.00 0.00 H new ATOM 839 N PHE A 55 12.541 5.538 -23.427 1.00 0.00 N ATOM 840 CA PHE A 55 13.284 6.770 -23.187 1.00 0.00 C ATOM 841 C PHE A 55 14.535 6.822 -24.066 1.00 0.00 C ATOM 842 O PHE A 55 15.000 7.895 -24.447 1.00 0.00 O ATOM 843 CB PHE A 55 13.670 6.872 -21.707 1.00 0.00 C ATOM 844 CG PHE A 55 14.457 5.696 -21.206 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.817 5.603 -21.449 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.835 4.680 -20.498 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.543 4.518 -20.996 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.556 3.594 -20.042 1.00 0.00 C ATOM 849 CZ PHE A 55 15.911 3.512 -20.292 1.00 0.00 C ATOM 0 H PHE A 55 12.272 5.040 -22.579 1.00 0.00 H new ATOM 0 HA PHE A 55 12.647 7.616 -23.444 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.254 7.780 -21.555 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.763 6.972 -21.110 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.316 6.387 -21.999 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.775 4.738 -20.301 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.603 4.457 -21.192 1.00 0.00 H new ATOM 0 HE2 PHE A 55 14.060 2.809 -19.490 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.476 2.663 -19.938 1.00 0.00 H new ATOM 859 N SER A 56 15.065 5.640 -24.389 1.00 0.00 N ATOM 860 CA SER A 56 16.267 5.513 -25.215 1.00 0.00 C ATOM 861 C SER A 56 16.200 6.359 -26.489 1.00 0.00 C ATOM 862 O SER A 56 17.229 6.635 -27.105 1.00 0.00 O ATOM 863 CB SER A 56 16.492 4.048 -25.593 1.00 0.00 C ATOM 864 OG SER A 56 15.371 3.518 -26.279 1.00 0.00 O ATOM 0 H SER A 56 14.675 4.748 -24.087 1.00 0.00 H new ATOM 0 HA SER A 56 17.100 5.883 -24.617 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.379 3.964 -26.221 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.681 3.462 -24.693 1.00 0.00 H new ATOM 0 HG SER A 56 15.542 2.581 -26.510 1.00 0.00 H new ATOM 870 N GLN A 57 14.997 6.758 -26.893 1.00 0.00 N ATOM 871 CA GLN A 57 14.835 7.551 -28.108 1.00 0.00 C ATOM 872 C GLN A 57 15.551 8.895 -27.992 1.00 0.00 C ATOM 873 O GLN A 57 15.939 9.485 -29.000 1.00 0.00 O ATOM 874 CB GLN A 57 13.350 7.778 -28.405 1.00 0.00 C ATOM 875 CG GLN A 57 12.626 6.531 -28.893 1.00 0.00 C ATOM 876 CD GLN A 57 11.973 6.725 -30.248 1.00 0.00 C ATOM 877 OE1 GLN A 57 11.074 7.553 -30.405 1.00 0.00 O ATOM 878 NE2 GLN A 57 12.422 5.961 -31.237 1.00 0.00 N ATOM 0 H GLN A 57 14.128 6.548 -26.402 1.00 0.00 H new ATOM 0 HA GLN A 57 15.284 6.993 -28.930 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.860 8.142 -27.502 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.255 8.561 -29.158 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.334 5.704 -28.951 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.865 6.249 -28.165 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.168 5.288 -31.063 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.021 6.047 -32.171 1.00 0.00 H new ATOM 887 N THR A 58 15.736 9.373 -26.765 1.00 0.00 N ATOM 888 CA THR A 58 16.416 10.647 -26.546 1.00 0.00 C ATOM 889 C THR A 58 17.462 10.547 -25.435 1.00 0.00 C ATOM 890 O THR A 58 18.066 11.552 -25.059 1.00 0.00 O ATOM 891 CB THR A 58 15.410 11.738 -26.173 1.00 0.00 C ATOM 892 OG1 THR A 58 15.072 11.649 -24.802 1.00 0.00 O ATOM 893 CG2 THR A 58 14.120 11.676 -26.958 1.00 0.00 C ATOM 0 H THR A 58 15.428 8.903 -25.914 1.00 0.00 H new ATOM 0 HA THR A 58 16.916 10.903 -27.480 1.00 0.00 H new ATOM 0 HB THR A 58 15.910 12.677 -26.410 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.315 12.484 -24.350 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.459 12.481 -26.636 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.335 11.786 -28.021 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.634 10.716 -26.784 1.00 0.00 H new ATOM 901 N CYS A 59 17.659 9.351 -24.887 1.00 0.00 N ATOM 902 CA CYS A 59 18.615 9.174 -23.801 1.00 0.00 C ATOM 903 C CYS A 59 19.782 8.278 -24.197 1.00 0.00 C ATOM 904 O CYS A 59 19.646 7.383 -25.031 1.00 0.00 O ATOM 905 CB CYS A 59 17.916 8.588 -22.573 1.00 0.00 C ATOM 906 SG CYS A 59 16.283 9.315 -22.225 1.00 0.00 S ATOM 0 H CYS A 59 17.175 8.500 -25.174 1.00 0.00 H new ATOM 0 HA CYS A 59 19.017 10.160 -23.567 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.800 7.513 -22.713 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.557 8.729 -21.703 1.00 0.00 H new ATOM 911 N TYR A 60 20.936 8.548 -23.592 1.00 0.00 N ATOM 912 CA TYR A 60 22.155 7.788 -23.853 1.00 0.00 C ATOM 913 C TYR A 60 22.951 7.628 -22.560 1.00 0.00 C ATOM 914 O TYR A 60 22.767 8.394 -21.612 1.00 0.00 O ATOM 915 CB TYR A 60 23.008 8.477 -24.922 1.00 0.00 C ATOM 916 CG TYR A 60 23.438 9.881 -24.557 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.517 10.918 -24.501 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.768 10.169 -24.276 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.907 12.202 -24.173 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.165 11.451 -23.946 1.00 0.00 C ATOM 921 CZ TYR A 60 24.232 12.463 -23.897 1.00 0.00 C ATOM 922 OH TYR A 60 24.624 13.741 -23.572 1.00 0.00 O ATOM 0 H TYR A 60 21.052 9.297 -22.909 1.00 0.00 H new ATOM 0 HA TYR A 60 21.878 6.802 -24.226 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.896 7.873 -25.108 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.445 8.512 -25.855 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.478 10.718 -24.717 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.503 9.379 -24.316 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.177 12.997 -24.133 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.202 11.658 -23.728 1.00 0.00 H new ATOM 0 HH TYR A 60 24.140 14.384 -24.131 1.00 0.00 H new ATOM 932 N ASN A 61 23.812 6.616 -22.514 1.00 0.00 N ATOM 933 CA ASN A 61 24.613 6.350 -21.323 1.00 0.00 C ATOM 934 C ASN A 61 23.716 5.968 -20.150 1.00 0.00 C ATOM 935 O ASN A 61 23.876 6.476 -19.040 1.00 0.00 O ATOM 936 CB ASN A 61 25.454 7.577 -20.957 1.00 0.00 C ATOM 937 CG ASN A 61 26.382 8.003 -22.077 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.666 7.230 -22.992 1.00 0.00 O ATOM 939 ND2 ASN A 61 26.860 9.240 -22.009 1.00 0.00 N ATOM 0 H ASN A 61 23.973 5.968 -23.285 1.00 0.00 H new ATOM 0 HA ASN A 61 25.281 5.517 -21.541 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.791 8.405 -20.705 1.00 0.00 H new ATOM 0 HB3 ASN A 61 26.043 7.357 -20.066 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.490 9.584 -22.734 1.00 0.00 H new ATOM 0 HD22 ASN A 61 26.597 9.846 -21.232 1.00 0.00 H new ATOM 946 N SER A 62 22.766 5.076 -20.408 1.00 0.00 N ATOM 947 CA SER A 62 21.844 4.625 -19.374 1.00 0.00 C ATOM 948 C SER A 62 22.564 3.759 -18.353 1.00 0.00 C ATOM 949 O SER A 62 23.351 2.882 -18.709 1.00 0.00 O ATOM 950 CB SER A 62 20.677 3.855 -19.996 1.00 0.00 C ATOM 951 OG SER A 62 19.897 4.696 -20.827 1.00 0.00 O ATOM 0 H SER A 62 22.615 4.652 -21.323 1.00 0.00 H new ATOM 0 HA SER A 62 21.449 5.503 -18.863 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.059 3.017 -20.578 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.052 3.437 -19.207 1.00 0.00 H new ATOM 0 HG SER A 62 19.792 5.572 -20.400 1.00 0.00 H new ATOM 957 N ALA A 63 22.289 4.013 -17.079 1.00 0.00 N ATOM 958 CA ALA A 63 22.914 3.257 -16.002 1.00 0.00 C ATOM 959 C ALA A 63 21.946 3.004 -14.854 1.00 0.00 C ATOM 960 O ALA A 63 21.023 3.784 -14.622 1.00 0.00 O ATOM 961 CB ALA A 63 24.143 3.991 -15.490 1.00 0.00 C ATOM 0 H ALA A 63 21.639 4.735 -16.768 1.00 0.00 H new ATOM 0 HA ALA A 63 23.211 2.290 -16.409 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.601 3.416 -14.685 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.859 4.112 -16.303 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.851 4.972 -15.114 1.00 0.00 H new ATOM 967 N ILE A 64 22.168 1.910 -14.134 1.00 0.00 N ATOM 968 CA ILE A 64 21.318 1.560 -13.010 1.00 0.00 C ATOM 969 C ILE A 64 22.133 1.254 -11.759 1.00 0.00 C ATOM 970 O ILE A 64 23.178 0.606 -11.819 1.00 0.00 O ATOM 971 CB ILE A 64 20.409 0.362 -13.352 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.344 0.815 -14.351 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.757 -0.209 -12.096 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.304 -0.234 -14.655 1.00 0.00 C ATOM 0 H ILE A 64 22.929 1.254 -14.311 1.00 0.00 H new ATOM 0 HA ILE A 64 20.692 2.428 -12.804 1.00 0.00 H new ATOM 0 HB ILE A 64 21.014 -0.429 -13.795 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.847 1.702 -13.959 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.833 1.108 -15.280 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.122 -1.052 -12.367 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.530 -0.545 -11.405 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.152 0.561 -11.617 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.585 0.164 -15.371 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.788 -1.114 -15.078 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.787 -0.510 -13.736 1.00 0.00 H new ATOM 986 N GLN A 65 21.623 1.715 -10.625 1.00 0.00 N ATOM 987 CA GLN A 65 22.261 1.495 -9.335 1.00 0.00 C ATOM 988 C GLN A 65 21.203 1.089 -8.321 1.00 0.00 C ATOM 989 O GLN A 65 20.363 1.900 -7.930 1.00 0.00 O ATOM 990 CB GLN A 65 22.984 2.759 -8.867 1.00 0.00 C ATOM 991 CG GLN A 65 24.174 3.137 -9.734 1.00 0.00 C ATOM 992 CD GLN A 65 24.970 4.292 -9.159 1.00 0.00 C ATOM 993 OE1 GLN A 65 26.187 4.200 -8.995 1.00 0.00 O ATOM 994 NE2 GLN A 65 24.286 5.387 -8.849 1.00 0.00 N ATOM 0 H GLN A 65 20.757 2.251 -10.574 1.00 0.00 H new ATOM 0 HA GLN A 65 23.001 0.700 -9.432 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.277 3.588 -8.854 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.324 2.614 -7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.827 2.271 -9.847 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.823 3.403 -10.731 1.00 0.00 H new ATOM 0 HE21 GLN A 65 23.278 5.419 -9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 65 24.769 6.196 -8.458 1.00 0.00 H new ATOM 1003 N GLY A 66 21.226 -0.175 -7.920 1.00 0.00 N ATOM 1004 CA GLY A 66 20.238 -0.663 -6.979 1.00 0.00 C ATOM 1005 C GLY A 66 18.858 -0.695 -7.605 1.00 0.00 C ATOM 1006 O GLY A 66 18.646 -1.375 -8.609 1.00 0.00 O ATOM 0 H GLY A 66 21.908 -0.868 -8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.512 -1.664 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.226 -0.024 -6.096 1.00 0.00 H new ATOM 1010 N SER A 67 17.912 0.027 -7.014 1.00 0.00 N ATOM 1011 CA SER A 67 16.550 0.054 -7.535 1.00 0.00 C ATOM 1012 C SER A 67 16.262 1.333 -8.321 1.00 0.00 C ATOM 1013 O SER A 67 15.185 1.477 -8.899 1.00 0.00 O ATOM 1014 CB SER A 67 15.545 -0.085 -6.393 1.00 0.00 C ATOM 1015 OG SER A 67 15.356 1.152 -5.727 1.00 0.00 O ATOM 0 H SER A 67 18.061 0.597 -6.181 1.00 0.00 H new ATOM 0 HA SER A 67 16.449 -0.788 -8.219 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.592 -0.440 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.897 -0.834 -5.683 1.00 0.00 H new ATOM 0 HG SER A 67 14.569 1.605 -6.095 1.00 0.00 H new ATOM 1021 N VAL A 68 17.222 2.256 -8.357 1.00 0.00 N ATOM 1022 CA VAL A 68 17.040 3.509 -9.088 1.00 0.00 C ATOM 1023 C VAL A 68 17.763 3.484 -10.434 1.00 0.00 C ATOM 1024 O VAL A 68 18.876 2.967 -10.545 1.00 0.00 O ATOM 1025 CB VAL A 68 17.535 4.722 -8.276 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.020 6.014 -8.892 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.100 4.611 -6.822 1.00 0.00 C ATOM 0 H VAL A 68 18.126 2.162 -7.893 1.00 0.00 H new ATOM 0 HA VAL A 68 15.968 3.610 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 68 18.625 4.734 -8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.377 6.863 -8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.383 6.099 -9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.930 6.007 -8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.460 5.477 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.012 4.573 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.516 3.703 -6.386 1.00 0.00 H new ATOM 1037 N LEU A 69 17.118 4.036 -11.457 1.00 0.00 N ATOM 1038 CA LEU A 69 17.690 4.076 -12.797 1.00 0.00 C ATOM 1039 C LEU A 69 18.209 5.477 -13.126 1.00 0.00 C ATOM 1040 O LEU A 69 17.494 6.470 -12.966 1.00 0.00 O ATOM 1041 CB LEU A 69 16.633 3.638 -13.820 1.00 0.00 C ATOM 1042 CG LEU A 69 16.883 4.066 -15.271 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.285 3.678 -15.717 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.839 3.449 -16.190 1.00 0.00 C ATOM 0 H LEU A 69 16.195 4.463 -11.382 1.00 0.00 H new ATOM 0 HA LEU A 69 18.535 3.389 -12.840 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.557 2.551 -13.791 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.667 4.034 -13.507 1.00 0.00 H new ATOM 0 HG LEU A 69 16.800 5.151 -15.328 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.438 3.992 -16.749 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.019 4.167 -15.076 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.403 2.597 -15.645 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.028 3.761 -17.217 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.894 2.362 -16.125 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.846 3.781 -15.887 1.00 0.00 H new ATOM 1056 N THR A 70 19.458 5.557 -13.581 1.00 0.00 N ATOM 1057 CA THR A 70 20.065 6.835 -13.929 1.00 0.00 C ATOM 1058 C THR A 70 20.432 6.864 -15.407 1.00 0.00 C ATOM 1059 O THR A 70 21.108 5.964 -15.903 1.00 0.00 O ATOM 1060 CB THR A 70 21.319 7.071 -13.086 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.074 6.762 -11.725 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.825 8.496 -13.151 1.00 0.00 C ATOM 0 H THR A 70 20.067 4.750 -13.716 1.00 0.00 H new ATOM 0 HA THR A 70 19.342 7.625 -13.727 1.00 0.00 H new ATOM 0 HB THR A 70 22.079 6.414 -13.509 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.888 6.918 -11.202 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.716 8.594 -12.531 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.071 8.748 -14.183 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.053 9.173 -12.786 1.00 0.00 H new ATOM 1070 N SER A 71 19.976 7.889 -16.116 1.00 0.00 N ATOM 1071 CA SER A 71 20.261 8.002 -17.543 1.00 0.00 C ATOM 1072 C SER A 71 20.276 9.458 -17.990 1.00 0.00 C ATOM 1073 O SER A 71 19.601 10.302 -17.401 1.00 0.00 O ATOM 1074 CB SER A 71 19.232 7.213 -18.356 1.00 0.00 C ATOM 1075 OG SER A 71 19.192 7.657 -19.702 1.00 0.00 O ATOM 0 H SER A 71 19.413 8.648 -15.732 1.00 0.00 H new ATOM 0 HA SER A 71 21.252 7.583 -17.720 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.479 6.152 -18.328 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.246 7.323 -17.905 1.00 0.00 H new ATOM 0 HG SER A 71 18.528 7.135 -20.199 1.00 0.00 H new ATOM 1081 N THR A 72 21.023 9.746 -19.052 1.00 0.00 N ATOM 1082 CA THR A 72 21.079 11.096 -19.588 1.00 0.00 C ATOM 1083 C THR A 72 20.058 11.219 -20.714 1.00 0.00 C ATOM 1084 O THR A 72 20.050 10.408 -21.640 1.00 0.00 O ATOM 1085 CB THR A 72 22.489 11.406 -20.101 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.467 10.950 -19.183 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.736 12.881 -20.337 1.00 0.00 C ATOM 0 H THR A 72 21.593 9.065 -19.554 1.00 0.00 H new ATOM 0 HA THR A 72 20.843 11.815 -18.804 1.00 0.00 H new ATOM 0 HB THR A 72 22.566 10.886 -21.056 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.361 11.155 -19.528 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.754 13.026 -20.699 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.030 13.254 -21.079 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.602 13.426 -19.403 1.00 0.00 H new ATOM 1095 N CYS A 73 19.173 12.207 -20.625 1.00 0.00 N ATOM 1096 CA CYS A 73 18.135 12.372 -21.638 1.00 0.00 C ATOM 1097 C CYS A 73 18.115 13.770 -22.237 1.00 0.00 C ATOM 1098 O CYS A 73 18.318 14.766 -21.544 1.00 0.00 O ATOM 1099 CB CYS A 73 16.765 12.058 -21.038 1.00 0.00 C ATOM 1100 SG CYS A 73 16.569 10.332 -20.493 1.00 0.00 S ATOM 0 H CYS A 73 19.152 12.897 -19.874 1.00 0.00 H new ATOM 0 HA CYS A 73 18.366 11.674 -22.443 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.593 12.718 -20.188 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.996 12.284 -21.777 1.00 0.00 H new ATOM 1105 N GLU A 74 17.806 13.827 -23.529 1.00 0.00 N ATOM 1106 CA GLU A 74 17.705 15.093 -24.244 1.00 0.00 C ATOM 1107 C GLU A 74 16.418 15.823 -23.867 1.00 0.00 C ATOM 1108 O GLU A 74 15.355 15.208 -23.771 1.00 0.00 O ATOM 1109 CB GLU A 74 17.751 14.858 -25.757 1.00 0.00 C ATOM 1110 CG GLU A 74 18.304 16.040 -26.538 1.00 0.00 C ATOM 1111 CD GLU A 74 17.852 16.048 -27.985 1.00 0.00 C ATOM 1112 OE1 GLU A 74 16.667 16.354 -28.235 1.00 0.00 O ATOM 1113 OE2 GLU A 74 18.683 15.750 -28.869 1.00 0.00 O ATOM 0 H GLU A 74 17.620 13.005 -24.104 1.00 0.00 H new ATOM 0 HA GLU A 74 18.554 15.714 -23.958 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.363 13.979 -25.962 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.745 14.636 -26.113 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.989 16.967 -26.058 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.393 16.017 -26.502 1.00 0.00 H new ATOM 1120 N ARG A 75 16.512 17.130 -23.657 1.00 0.00 N ATOM 1121 CA ARG A 75 15.346 17.929 -23.295 1.00 0.00 C ATOM 1122 C ARG A 75 14.690 18.516 -24.541 1.00 0.00 C ATOM 1123 O ARG A 75 15.371 18.862 -25.506 1.00 0.00 O ATOM 1124 CB ARG A 75 15.747 19.051 -22.337 1.00 0.00 C ATOM 1125 CG ARG A 75 16.595 18.576 -21.169 1.00 0.00 C ATOM 1126 CD ARG A 75 16.748 19.661 -20.116 1.00 0.00 C ATOM 1127 NE ARG A 75 15.459 20.214 -19.704 1.00 0.00 N ATOM 1128 CZ ARG A 75 14.614 19.593 -18.885 1.00 0.00 C ATOM 1129 NH1 ARG A 75 14.909 18.394 -18.399 1.00 0.00 N ATOM 1130 NH2 ARG A 75 13.468 20.172 -18.553 1.00 0.00 N ATOM 0 H ARG A 75 17.381 17.659 -23.731 1.00 0.00 H new ATOM 0 HA ARG A 75 14.627 17.279 -22.796 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.298 19.811 -22.891 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.846 19.528 -21.951 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.138 17.694 -20.721 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.579 18.276 -21.530 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.261 19.251 -19.246 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.376 20.461 -20.509 1.00 0.00 H new ATOM 0 HE ARG A 75 15.192 21.130 -20.066 1.00 0.00 H new ATOM 0 HH11 ARG A 75 15.788 17.943 -18.653 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.257 17.923 -17.772 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.235 21.093 -18.925 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.820 19.697 -17.925 1.00 0.00 H new ATOM 1144 N THR A 76 13.363 18.613 -24.523 1.00 0.00 N ATOM 1145 CA THR A 76 12.616 19.145 -25.660 1.00 0.00 C ATOM 1146 C THR A 76 13.159 20.502 -26.108 1.00 0.00 C ATOM 1147 O THR A 76 13.047 20.867 -27.278 1.00 0.00 O ATOM 1148 CB THR A 76 11.136 19.274 -25.300 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.657 18.078 -24.710 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.253 19.584 -26.489 1.00 0.00 C ATOM 0 H THR A 76 12.783 18.330 -23.733 1.00 0.00 H new ATOM 0 HA THR A 76 12.733 18.446 -26.488 1.00 0.00 H new ATOM 0 HB THR A 76 11.082 20.109 -24.602 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.709 18.181 -24.485 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.216 19.662 -26.162 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.564 20.528 -26.937 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.342 18.786 -27.226 1.00 0.00 H new ATOM 1158 N ASN A 77 13.745 21.248 -25.176 1.00 0.00 N ATOM 1159 CA ASN A 77 14.300 22.562 -25.493 1.00 0.00 C ATOM 1160 C ASN A 77 15.711 22.451 -26.073 1.00 0.00 C ATOM 1161 O ASN A 77 16.349 23.461 -26.370 1.00 0.00 O ATOM 1162 CB ASN A 77 14.319 23.446 -24.245 1.00 0.00 C ATOM 1163 CG ASN A 77 12.988 24.129 -23.998 1.00 0.00 C ATOM 1164 OD1 ASN A 77 12.831 25.322 -24.257 1.00 0.00 O ATOM 1165 ND2 ASN A 77 12.020 23.373 -23.494 1.00 0.00 N ATOM 0 H ASN A 77 13.848 20.968 -24.201 1.00 0.00 H new ATOM 0 HA ASN A 77 13.659 23.017 -26.248 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.579 22.839 -23.378 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.098 24.202 -24.350 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.102 23.777 -23.307 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.194 22.388 -23.294 1.00 0.00 H new ATOM 1172 N GLY A 78 16.193 21.223 -26.237 1.00 0.00 N ATOM 1173 CA GLY A 78 17.521 21.012 -26.782 1.00 0.00 C ATOM 1174 C GLY A 78 18.584 20.934 -25.711 1.00 0.00 C ATOM 1175 O GLY A 78 18.574 21.700 -24.747 1.00 0.00 O ATOM 0 H GLY A 78 15.687 20.369 -26.002 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.529 20.090 -27.364 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.761 21.824 -27.468 1.00 0.00 H new ATOM 1179 N GLY A 79 19.482 19.981 -25.875 1.00 0.00 N ATOM 1180 CA GLY A 79 20.544 19.771 -24.908 1.00 0.00 C ATOM 1181 C GLY A 79 20.425 18.410 -24.253 1.00 0.00 C ATOM 1182 O GLY A 79 19.623 17.590 -24.693 1.00 0.00 O ATOM 0 H GLY A 79 19.498 19.340 -26.668 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.512 19.857 -25.402 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.505 20.549 -24.146 1.00 0.00 H new ATOM 1186 N TYR A 80 21.227 18.157 -23.220 1.00 0.00 N ATOM 1187 CA TYR A 80 21.190 16.867 -22.528 1.00 0.00 C ATOM 1188 C TYR A 80 21.079 17.054 -21.015 1.00 0.00 C ATOM 1189 O TYR A 80 21.689 17.957 -20.443 1.00 0.00 O ATOM 1190 CB TYR A 80 22.446 16.053 -22.853 1.00 0.00 C ATOM 1191 CG TYR A 80 22.801 16.040 -24.323 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.886 15.610 -25.274 1.00 0.00 C ATOM 1193 CD2 TYR A 80 24.051 16.461 -24.759 1.00 0.00 C ATOM 1194 CE1 TYR A 80 22.205 15.601 -26.618 1.00 0.00 C ATOM 1195 CE2 TYR A 80 24.377 16.454 -26.101 1.00 0.00 C ATOM 1196 CZ TYR A 80 23.451 16.024 -27.026 1.00 0.00 C ATOM 1197 OH TYR A 80 23.772 16.018 -28.364 1.00 0.00 O ATOM 0 H TYR A 80 21.905 18.821 -22.845 1.00 0.00 H new ATOM 0 HA TYR A 80 20.308 16.329 -22.876 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.286 16.458 -22.289 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.300 15.027 -22.515 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.908 15.277 -24.958 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.779 16.799 -24.037 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.481 15.264 -27.345 1.00 0.00 H new ATOM 0 HE2 TYR A 80 25.353 16.784 -26.424 1.00 0.00 H new ATOM 0 HH TYR A 80 24.688 16.347 -28.482 1.00 0.00 H new ATOM 1207 N ASN A 81 20.288 16.193 -20.376 1.00 0.00 N ATOM 1208 CA ASN A 81 20.085 16.251 -18.932 1.00 0.00 C ATOM 1209 C ASN A 81 19.711 14.870 -18.395 1.00 0.00 C ATOM 1210 O ASN A 81 18.831 14.201 -18.936 1.00 0.00 O ATOM 1211 CB ASN A 81 18.992 17.267 -18.586 1.00 0.00 C ATOM 1212 CG ASN A 81 18.995 17.644 -17.116 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.238 16.805 -16.248 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.722 18.912 -16.829 1.00 0.00 N ATOM 0 H ASN A 81 19.775 15.443 -20.840 1.00 0.00 H new ATOM 0 HA ASN A 81 21.016 16.569 -18.463 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.131 18.165 -19.189 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.019 16.853 -18.850 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.708 19.223 -15.858 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.526 19.574 -17.580 1.00 0.00 H new ATOM 1221 N THR A 82 20.397 14.445 -17.340 1.00 0.00 N ATOM 1222 CA THR A 82 20.156 13.137 -16.731 1.00 0.00 C ATOM 1223 C THR A 82 19.163 13.227 -15.578 1.00 0.00 C ATOM 1224 O THR A 82 19.260 14.115 -14.731 1.00 0.00 O ATOM 1225 CB THR A 82 21.467 12.513 -16.251 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.215 11.417 -15.392 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.355 13.482 -15.508 1.00 0.00 C ATOM 0 H THR A 82 21.130 14.989 -16.884 1.00 0.00 H new ATOM 0 HA THR A 82 19.721 12.497 -17.499 1.00 0.00 H new ATOM 0 HB THR A 82 21.983 12.195 -17.157 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.547 10.828 -15.800 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.267 12.974 -15.196 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.610 14.316 -16.161 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.830 13.856 -14.629 1.00 0.00 H new ATOM 1235 N SER A 83 18.210 12.296 -15.547 1.00 0.00 N ATOM 1236 CA SER A 83 17.198 12.256 -14.498 1.00 0.00 C ATOM 1237 C SER A 83 17.220 10.898 -13.790 1.00 0.00 C ATOM 1238 O SER A 83 17.712 9.906 -14.339 1.00 0.00 O ATOM 1239 CB SER A 83 15.810 12.523 -15.085 1.00 0.00 C ATOM 1240 OG SER A 83 15.445 11.514 -16.011 1.00 0.00 O ATOM 0 H SER A 83 18.120 11.556 -16.243 1.00 0.00 H new ATOM 0 HA SER A 83 17.424 13.035 -13.769 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.074 12.567 -14.282 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.801 13.495 -15.579 1.00 0.00 H new ATOM 0 HG SER A 83 15.288 11.918 -16.890 1.00 0.00 H new ATOM 1246 N SER A 84 16.696 10.862 -12.568 1.00 0.00 N ATOM 1247 CA SER A 84 16.665 9.631 -11.788 1.00 0.00 C ATOM 1248 C SER A 84 15.240 9.278 -11.367 1.00 0.00 C ATOM 1249 O SER A 84 14.421 10.160 -11.108 1.00 0.00 O ATOM 1250 CB SER A 84 17.556 9.766 -10.552 1.00 0.00 C ATOM 1251 OG SER A 84 17.308 10.987 -9.875 1.00 0.00 O ATOM 0 H SER A 84 16.288 11.670 -12.098 1.00 0.00 H new ATOM 0 HA SER A 84 17.043 8.826 -12.418 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.376 8.929 -9.877 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.604 9.717 -10.848 1.00 0.00 H new ATOM 0 HG SER A 84 17.889 11.048 -9.088 1.00 0.00 H new ATOM 1257 N ILE A 85 14.955 7.979 -11.295 1.00 0.00 N ATOM 1258 CA ILE A 85 13.629 7.503 -10.904 1.00 0.00 C ATOM 1259 C ILE A 85 13.712 6.203 -10.098 1.00 0.00 C ATOM 1260 O ILE A 85 14.544 5.342 -10.382 1.00 0.00 O ATOM 1261 CB ILE A 85 12.739 7.276 -12.141 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.302 6.978 -11.716 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.292 6.145 -12.997 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.355 6.796 -12.882 1.00 0.00 C ATOM 0 H ILE A 85 15.624 7.237 -11.502 1.00 0.00 H new ATOM 0 HA ILE A 85 13.187 8.276 -10.276 1.00 0.00 H new ATOM 0 HB ILE A 85 12.739 8.187 -12.739 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.292 6.075 -11.105 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.941 7.792 -11.088 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.650 5.999 -13.866 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.299 6.398 -13.328 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.323 5.227 -12.411 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.353 6.587 -12.508 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.336 7.706 -13.481 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.693 5.963 -13.498 1.00 0.00 H new ATOM 1276 N ASP A 86 12.834 6.064 -9.101 1.00 0.00 N ATOM 1277 CA ASP A 86 12.799 4.865 -8.255 1.00 0.00 C ATOM 1278 C ASP A 86 11.752 3.866 -8.762 1.00 0.00 C ATOM 1279 O ASP A 86 10.566 4.185 -8.829 1.00 0.00 O ATOM 1280 CB ASP A 86 12.482 5.249 -6.809 1.00 0.00 C ATOM 1281 CG ASP A 86 12.545 4.060 -5.870 1.00 0.00 C ATOM 1282 OD1 ASP A 86 13.297 3.108 -6.169 1.00 0.00 O ATOM 1283 OD2 ASP A 86 11.843 4.080 -4.838 1.00 0.00 O ATOM 0 H ASP A 86 12.136 6.767 -8.859 1.00 0.00 H new ATOM 0 HA ASP A 86 13.781 4.393 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.187 6.010 -6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.488 5.693 -6.763 1.00 0.00 H new ATOM 1288 N LEU A 87 12.199 2.666 -9.133 1.00 0.00 N ATOM 1289 CA LEU A 87 11.291 1.638 -9.660 1.00 0.00 C ATOM 1290 C LEU A 87 10.881 0.595 -8.616 1.00 0.00 C ATOM 1291 O LEU A 87 10.061 -0.275 -8.906 1.00 0.00 O ATOM 1292 CB LEU A 87 11.923 0.937 -10.858 1.00 0.00 C ATOM 1293 CG LEU A 87 12.687 1.855 -11.809 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.407 1.042 -12.874 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.738 2.857 -12.446 1.00 0.00 C ATOM 0 H LEU A 87 13.177 2.380 -9.080 1.00 0.00 H new ATOM 0 HA LEU A 87 10.384 2.161 -9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.604 0.168 -10.493 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.139 0.429 -11.419 1.00 0.00 H new ATOM 0 HG LEU A 87 13.436 2.403 -11.238 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.946 1.714 -13.542 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.113 0.362 -12.397 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.679 0.467 -13.447 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.294 3.506 -13.122 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.969 2.325 -13.005 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.269 3.460 -11.668 1.00 0.00 H new ATOM 1307 N ASN A 88 11.457 0.652 -7.418 1.00 0.00 N ATOM 1308 CA ASN A 88 11.147 -0.331 -6.374 1.00 0.00 C ATOM 1309 C ASN A 88 9.643 -0.594 -6.263 1.00 0.00 C ATOM 1310 O ASN A 88 9.228 -1.682 -5.866 1.00 0.00 O ATOM 1311 CB ASN A 88 11.671 0.169 -5.026 1.00 0.00 C ATOM 1312 CG ASN A 88 11.599 -0.893 -3.947 1.00 0.00 C ATOM 1313 OD1 ASN A 88 10.985 -0.691 -2.899 1.00 0.00 O ATOM 1314 ND2 ASN A 88 12.230 -2.032 -4.199 1.00 0.00 N ATOM 0 H ASN A 88 12.137 1.361 -7.144 1.00 0.00 H new ATOM 0 HA ASN A 88 11.633 -1.267 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.704 0.497 -5.140 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.093 1.039 -4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 88 12.219 -2.784 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.726 -2.156 -5.081 1.00 0.00 H new ATOM 1321 N SER A 89 8.832 0.396 -6.614 1.00 0.00 N ATOM 1322 CA SER A 89 7.380 0.251 -6.546 1.00 0.00 C ATOM 1323 C SER A 89 6.799 -0.462 -7.772 1.00 0.00 C ATOM 1324 O SER A 89 5.864 -1.253 -7.648 1.00 0.00 O ATOM 1325 CB SER A 89 6.719 1.620 -6.389 1.00 0.00 C ATOM 1326 OG SER A 89 5.306 1.508 -6.400 1.00 0.00 O ATOM 0 H SER A 89 9.151 1.305 -6.948 1.00 0.00 H new ATOM 0 HA SER A 89 7.167 -0.369 -5.675 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.043 2.079 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.041 2.278 -7.196 1.00 0.00 H new ATOM 0 HG SER A 89 4.907 2.397 -6.297 1.00 0.00 H new ATOM 1332 N VAL A 90 7.322 -0.148 -8.955 1.00 0.00 N ATOM 1333 CA VAL A 90 6.813 -0.738 -10.193 1.00 0.00 C ATOM 1334 C VAL A 90 7.193 -2.211 -10.361 1.00 0.00 C ATOM 1335 O VAL A 90 6.328 -3.052 -10.610 1.00 0.00 O ATOM 1336 CB VAL A 90 7.260 0.065 -11.439 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.075 1.553 -11.205 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.705 -0.232 -11.812 1.00 0.00 C ATOM 0 H VAL A 90 8.093 0.507 -9.084 1.00 0.00 H new ATOM 0 HA VAL A 90 5.727 -0.688 -10.109 1.00 0.00 H new ATOM 0 HB VAL A 90 6.631 -0.246 -12.273 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.394 2.103 -12.090 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.024 1.762 -11.007 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.674 1.864 -10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.981 0.351 -12.691 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.358 0.034 -10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.813 -1.294 -12.032 1.00 0.00 H new ATOM 1348 N ILE A 91 8.479 -2.522 -10.253 1.00 0.00 N ATOM 1349 CA ILE A 91 8.936 -3.894 -10.419 1.00 0.00 C ATOM 1350 C ILE A 91 8.786 -4.691 -9.123 1.00 0.00 C ATOM 1351 O ILE A 91 8.892 -4.143 -8.025 1.00 0.00 O ATOM 1352 CB ILE A 91 10.398 -3.945 -10.926 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.497 -3.301 -12.319 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.906 -5.380 -10.967 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.201 -1.957 -12.320 1.00 0.00 C ATOM 0 H ILE A 91 9.218 -1.848 -10.053 1.00 0.00 H new ATOM 0 HA ILE A 91 8.302 -4.357 -11.175 1.00 0.00 H new ATOM 0 HB ILE A 91 11.024 -3.383 -10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.028 -3.980 -12.987 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.493 -3.176 -12.724 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.935 -5.392 -11.326 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.866 -5.809 -9.966 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.281 -5.968 -11.639 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.233 -1.564 -13.336 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.659 -1.262 -11.679 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.217 -2.078 -11.946 1.00 0.00 H new ATOM 1367 N GLU A 92 8.514 -5.986 -9.267 1.00 0.00 N ATOM 1368 CA GLU A 92 8.316 -6.873 -8.127 1.00 0.00 C ATOM 1369 C GLU A 92 9.010 -8.206 -8.378 1.00 0.00 C ATOM 1370 O GLU A 92 9.400 -8.495 -9.508 1.00 0.00 O ATOM 1371 CB GLU A 92 6.816 -7.114 -7.923 1.00 0.00 C ATOM 1372 CG GLU A 92 6.433 -7.444 -6.491 1.00 0.00 C ATOM 1373 CD GLU A 92 4.953 -7.250 -6.226 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.447 -6.135 -6.471 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.299 -8.215 -5.775 1.00 0.00 O ATOM 0 H GLU A 92 8.425 -6.447 -10.173 1.00 0.00 H new ATOM 0 HA GLU A 92 8.740 -6.409 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.269 -6.225 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.498 -7.931 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.705 -8.477 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.006 -6.814 -5.811 1.00 0.00 H new ATOM 1382 N ASN A 93 9.177 -9.021 -7.337 1.00 0.00 N ATOM 1383 CA ASN A 93 9.835 -10.313 -7.493 1.00 0.00 C ATOM 1384 C ASN A 93 8.823 -11.449 -7.370 1.00 0.00 C ATOM 1385 O ASN A 93 8.442 -11.846 -6.269 1.00 0.00 O ATOM 1386 CB ASN A 93 10.935 -10.473 -6.441 1.00 0.00 C ATOM 1387 CG ASN A 93 11.663 -11.799 -6.552 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.821 -12.346 -7.644 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.111 -12.323 -5.417 1.00 0.00 N ATOM 0 H ASN A 93 8.869 -8.811 -6.388 1.00 0.00 H new ATOM 0 HA ASN A 93 10.284 -10.355 -8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.653 -9.659 -6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.497 -10.386 -5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.609 -13.213 -5.428 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.958 -11.835 -4.535 1.00 0.00 H new ATOM 1396 N VAL A 94 8.409 -11.970 -8.517 1.00 0.00 N ATOM 1397 CA VAL A 94 7.453 -13.070 -8.567 1.00 0.00 C ATOM 1398 C VAL A 94 8.163 -14.405 -8.771 1.00 0.00 C ATOM 1399 O VAL A 94 8.512 -14.760 -9.897 1.00 0.00 O ATOM 1400 CB VAL A 94 6.420 -12.866 -9.690 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.368 -13.965 -9.659 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.771 -11.495 -9.568 1.00 0.00 C ATOM 0 H VAL A 94 8.722 -11.646 -9.432 1.00 0.00 H new ATOM 0 HA VAL A 94 6.933 -13.084 -7.609 1.00 0.00 H new ATOM 0 HB VAL A 94 6.936 -12.919 -10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.648 -13.802 -10.461 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.849 -14.933 -9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.852 -13.948 -8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.043 -11.365 -10.369 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.269 -11.415 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.536 -10.722 -9.644 1.00 0.00 H new ATOM 1412 N ASP A 95 8.377 -15.147 -7.688 1.00 0.00 N ATOM 1413 CA ASP A 95 9.046 -16.443 -7.766 1.00 0.00 C ATOM 1414 C ASP A 95 10.386 -16.345 -8.489 1.00 0.00 C ATOM 1415 O ASP A 95 10.796 -17.278 -9.179 1.00 0.00 O ATOM 1416 CB ASP A 95 8.152 -17.469 -8.464 1.00 0.00 C ATOM 1417 CG ASP A 95 8.581 -18.894 -8.171 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.158 -19.130 -7.086 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.343 -19.774 -9.025 1.00 0.00 O ATOM 0 H ASP A 95 8.097 -14.873 -6.746 1.00 0.00 H new ATOM 0 HA ASP A 95 9.238 -16.770 -6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.120 -17.328 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.176 -17.298 -9.540 1.00 0.00 H new ATOM 1424 N GLY A 96 11.068 -15.215 -8.325 1.00 0.00 N ATOM 1425 CA GLY A 96 12.365 -15.032 -8.960 1.00 0.00 C ATOM 1426 C GLY A 96 12.280 -14.362 -10.319 1.00 0.00 C ATOM 1427 O GLY A 96 13.127 -14.594 -11.182 1.00 0.00 O ATOM 0 H GLY A 96 10.748 -14.424 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.000 -14.433 -8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.847 -16.003 -9.071 1.00 0.00 H new ATOM 1431 N SER A 97 11.260 -13.533 -10.518 1.00 0.00 N ATOM 1432 CA SER A 97 11.086 -12.841 -11.790 1.00 0.00 C ATOM 1433 C SER A 97 10.611 -11.407 -11.580 1.00 0.00 C ATOM 1434 O SER A 97 9.718 -11.149 -10.771 1.00 0.00 O ATOM 1435 CB SER A 97 10.089 -13.593 -12.673 1.00 0.00 C ATOM 1436 OG SER A 97 10.268 -14.994 -12.566 1.00 0.00 O ATOM 0 H SER A 97 10.546 -13.325 -9.820 1.00 0.00 H new ATOM 0 HA SER A 97 12.056 -12.811 -12.287 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.072 -13.330 -12.383 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.214 -13.286 -13.711 1.00 0.00 H new ATOM 0 HG SER A 97 9.825 -15.319 -11.754 1.00 0.00 H new ATOM 1442 N LEU A 98 11.210 -10.476 -12.319 1.00 0.00 N ATOM 1443 CA LEU A 98 10.843 -9.070 -12.217 1.00 0.00 C ATOM 1444 C LEU A 98 9.504 -8.816 -12.897 1.00 0.00 C ATOM 1445 O LEU A 98 9.349 -9.054 -14.094 1.00 0.00 O ATOM 1446 CB LEU A 98 11.921 -8.182 -12.844 1.00 0.00 C ATOM 1447 CG LEU A 98 13.335 -8.400 -12.305 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.306 -7.424 -12.952 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.355 -8.251 -10.792 1.00 0.00 C ATOM 0 H LEU A 98 11.950 -10.672 -12.993 1.00 0.00 H new ATOM 0 HA LEU A 98 10.755 -8.821 -11.160 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.929 -8.352 -13.921 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.646 -7.139 -12.688 1.00 0.00 H new ATOM 0 HG LEU A 98 13.649 -9.413 -12.555 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.308 -7.592 -12.557 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.310 -7.577 -14.031 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.996 -6.402 -12.732 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.369 -8.409 -10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.023 -7.249 -10.521 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.688 -8.988 -10.345 1.00 0.00 H new ATOM 1461 N LYS A 99 8.536 -8.348 -12.119 1.00 0.00 N ATOM 1462 CA LYS A 99 7.201 -8.076 -12.638 1.00 0.00 C ATOM 1463 C LYS A 99 6.774 -6.643 -12.348 1.00 0.00 C ATOM 1464 O LYS A 99 7.003 -6.123 -11.260 1.00 0.00 O ATOM 1465 CB LYS A 99 6.198 -9.054 -12.021 1.00 0.00 C ATOM 1466 CG LYS A 99 6.187 -10.418 -12.695 1.00 0.00 C ATOM 1467 CD LYS A 99 4.868 -10.684 -13.405 1.00 0.00 C ATOM 1468 CE LYS A 99 4.425 -12.129 -13.238 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.057 -12.358 -13.781 1.00 0.00 N ATOM 0 H LYS A 99 8.650 -8.149 -11.125 1.00 0.00 H new ATOM 0 HA LYS A 99 7.224 -8.207 -13.720 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.431 -9.182 -10.964 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.199 -8.622 -12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.005 -10.476 -13.413 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.362 -11.194 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.100 -10.019 -13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.972 -10.455 -14.466 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.131 -12.786 -13.745 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.445 -12.395 -12.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.793 -13.355 -13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.378 -11.750 -13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.043 -12.129 -14.795 1.00 0.00 H new ATOM 1483 N TYR A 100 6.149 -6.010 -13.335 1.00 0.00 N ATOM 1484 CA TYR A 100 5.683 -4.637 -13.192 1.00 0.00 C ATOM 1485 C TYR A 100 4.397 -4.596 -12.372 1.00 0.00 C ATOM 1486 O TYR A 100 3.722 -5.612 -12.214 1.00 0.00 O ATOM 1487 CB TYR A 100 5.451 -4.016 -14.573 1.00 0.00 C ATOM 1488 CG TYR A 100 4.911 -2.604 -14.533 1.00 0.00 C ATOM 1489 CD1 TYR A 100 5.761 -1.519 -14.360 1.00 0.00 C ATOM 1490 CD2 TYR A 100 3.552 -2.357 -14.674 1.00 0.00 C ATOM 1491 CE1 TYR A 100 5.270 -0.227 -14.328 1.00 0.00 C ATOM 1492 CE2 TYR A 100 3.053 -1.069 -14.643 1.00 0.00 C ATOM 1493 CZ TYR A 100 3.916 -0.007 -14.470 1.00 0.00 C ATOM 1494 OH TYR A 100 3.424 1.278 -14.438 1.00 0.00 O ATOM 0 H TYR A 100 5.953 -6.428 -14.245 1.00 0.00 H new ATOM 0 HA TYR A 100 6.446 -4.060 -12.669 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.392 -4.018 -15.123 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.755 -4.644 -15.129 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.822 -1.687 -14.249 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.873 -3.186 -14.810 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.944 0.606 -14.192 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.993 -0.895 -14.754 1.00 0.00 H new ATOM 0 HH TYR A 100 2.451 1.259 -14.553 1.00 0.00 H new