USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 781 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 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 158:sc=-0.00287 (180deg=-0.75) USER MOD Single : A 24 ASN : amide:sc= -2.58 K(o=-2.6,f=-9.5!) USER MOD Single : A 26 GLN : amide:sc= -2.21 K(o=-2.2,f=-7!) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 0.812 (180deg=0.657) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0912 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 40 SER OG : rot 77:sc= -0.16 USER MOD Single : A 44 THR OG1 : rot -79:sc= 0.833 USER MOD Single : A 48 SER OG : rot 180:sc=-0.00961 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.321 USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0284) USER MOD Single : A 55 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc=-0.000965 X(o=-0.00096,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 138:sc= -6.82! (180deg=-11.7!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.389 USER MOD Single : A 87 GLN : amide:sc= -5.66 K(o=-5.7,f=-11!) USER MOD Single : A 92 SER OG : rot 86:sc= 0.0256 USER MOD Single : A 96 SER OG : rot 78:sc= 0.233 USER MOD Single : A 97 THR OG1 : rot 50:sc= 0.0409! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 160:sc= -0.201 (180deg=-1.04) USER MOD Single : A 104 SER OG : rot 180:sc= -0.608 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -14.094 -13.727 -10.344 1.00 0.00 N ATOM 2 CA LYS A 17 -14.260 -13.011 -11.603 1.00 0.00 C ATOM 3 C LYS A 17 -12.957 -12.335 -12.019 1.00 0.00 C ATOM 4 O LYS A 17 -12.077 -12.100 -11.189 1.00 0.00 O ATOM 5 CB LYS A 17 -15.372 -11.967 -11.477 1.00 0.00 C ATOM 6 CG LYS A 17 -15.125 -10.947 -10.378 1.00 0.00 C ATOM 7 CD LYS A 17 -16.422 -10.519 -9.707 1.00 0.00 C ATOM 8 CE LYS A 17 -16.547 -11.101 -8.308 1.00 0.00 C ATOM 9 NZ LYS A 17 -17.955 -11.446 -7.973 1.00 0.00 N ATOM 0 HA LYS A 17 -14.535 -13.734 -12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.479 -11.446 -12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -16.317 -12.476 -11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.452 -11.371 -9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.626 -10.073 -10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.463 -9.431 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.269 -10.841 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.926 -11.994 -8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.167 -10.383 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.997 -11.839 -7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -18.543 -10.590 -8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.311 -12.150 -8.651 1.00 0.00 H new ATOM 23 N ARG A 18 -12.838 -12.026 -13.305 1.00 0.00 N ATOM 24 CA ARG A 18 -11.642 -11.377 -13.829 1.00 0.00 C ATOM 25 C ARG A 18 -11.948 -9.949 -14.269 1.00 0.00 C ATOM 26 O ARG A 18 -12.093 -9.670 -15.459 1.00 0.00 O ATOM 27 CB ARG A 18 -11.072 -12.181 -15.000 1.00 0.00 C ATOM 28 CG ARG A 18 -9.712 -12.800 -14.709 1.00 0.00 C ATOM 29 CD ARG A 18 -9.845 -14.204 -14.140 1.00 0.00 C ATOM 30 NE ARG A 18 -10.431 -15.136 -15.103 1.00 0.00 N ATOM 31 CZ ARG A 18 -11.723 -15.462 -15.137 1.00 0.00 C ATOM 32 NH1 ARG A 18 -12.579 -14.928 -14.275 1.00 0.00 N ATOM 33 NH2 ARG A 18 -12.161 -16.326 -16.044 1.00 0.00 N ATOM 0 H ARG A 18 -13.556 -12.215 -14.005 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.898 -11.338 -13.033 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.774 -12.973 -15.262 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.987 -11.530 -15.870 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.123 -12.833 -15.626 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.169 -12.171 -14.004 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.863 -14.566 -13.838 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.464 -14.174 -13.243 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.812 -15.563 -15.792 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.250 -14.261 -13.577 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.565 -15.185 -14.310 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.510 -16.738 -16.712 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.149 -16.578 -16.073 1.00 0.00 H new ATOM 47 N VAL A 19 -12.045 -9.046 -13.297 1.00 0.00 N ATOM 48 CA VAL A 19 -12.335 -7.643 -13.579 1.00 0.00 C ATOM 49 C VAL A 19 -11.335 -6.717 -12.903 1.00 0.00 C ATOM 50 O VAL A 19 -11.499 -5.496 -12.899 1.00 0.00 O ATOM 51 CB VAL A 19 -13.747 -7.268 -13.111 1.00 0.00 C ATOM 52 CG1 VAL A 19 -14.117 -5.867 -13.573 1.00 0.00 C ATOM 53 CG2 VAL A 19 -14.764 -8.288 -13.599 1.00 0.00 C ATOM 0 H VAL A 19 -11.927 -9.261 -12.307 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.261 -7.519 -14.659 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.757 -7.275 -12.021 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -15.122 -5.624 -13.229 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.409 -5.149 -13.160 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.085 -5.823 -14.662 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.759 -8.003 -13.256 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.752 -8.322 -14.688 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.512 -9.272 -13.203 1.00 0.00 H new ATOM 63 N GLY A 20 -10.308 -7.311 -12.335 1.00 0.00 N ATOM 64 CA GLY A 20 -9.281 -6.547 -11.654 1.00 0.00 C ATOM 65 C GLY A 20 -8.357 -5.824 -12.612 1.00 0.00 C ATOM 66 O GLY A 20 -8.138 -6.277 -13.736 1.00 0.00 O ATOM 0 H GLY A 20 -10.160 -8.320 -12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.753 -5.820 -10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.694 -7.216 -11.025 1.00 0.00 H new ATOM 70 N LYS A 21 -7.811 -4.697 -12.167 1.00 0.00 N ATOM 71 CA LYS A 21 -6.902 -3.907 -12.988 1.00 0.00 C ATOM 72 C LYS A 21 -5.984 -3.061 -12.112 1.00 0.00 C ATOM 73 O LYS A 21 -6.413 -2.505 -11.101 1.00 0.00 O ATOM 74 CB LYS A 21 -7.690 -3.011 -13.947 1.00 0.00 C ATOM 75 CG LYS A 21 -8.881 -2.322 -13.303 1.00 0.00 C ATOM 76 CD LYS A 21 -8.541 -0.905 -12.878 1.00 0.00 C ATOM 77 CE LYS A 21 -9.792 -0.056 -12.720 1.00 0.00 C ATOM 78 NZ LYS A 21 -9.610 1.311 -13.282 1.00 0.00 N ATOM 0 H LYS A 21 -7.983 -4.310 -11.239 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.288 -4.592 -13.573 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.021 -2.254 -14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.040 -3.612 -14.786 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.715 -2.302 -14.005 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.208 -2.895 -12.435 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.994 -0.928 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.882 -0.450 -13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.628 -0.545 -13.219 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.050 0.017 -11.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.540 1.724 -13.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.119 1.910 -12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.044 1.256 -14.153 1.00 0.00 H new ATOM 92 N ARG A 22 -4.714 -2.975 -12.501 1.00 0.00 N ATOM 93 CA ARG A 22 -3.735 -2.205 -11.742 1.00 0.00 C ATOM 94 C ARG A 22 -3.674 -0.758 -12.219 1.00 0.00 C ATOM 95 O ARG A 22 -3.867 -0.472 -13.401 1.00 0.00 O ATOM 96 CB ARG A 22 -2.350 -2.848 -11.851 1.00 0.00 C ATOM 97 CG ARG A 22 -1.810 -2.905 -13.272 1.00 0.00 C ATOM 98 CD ARG A 22 -1.207 -1.576 -13.697 1.00 0.00 C ATOM 99 NE ARG A 22 0.050 -1.751 -14.423 1.00 0.00 N ATOM 100 CZ ARG A 22 0.575 -0.830 -15.229 1.00 0.00 C ATOM 101 NH1 ARG A 22 -0.040 0.330 -15.414 1.00 0.00 N ATOM 102 NH2 ARG A 22 1.721 -1.073 -15.851 1.00 0.00 N ATOM 0 H ARG A 22 -4.341 -3.428 -13.335 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.051 -2.206 -10.699 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.651 -2.290 -11.229 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.397 -3.860 -11.449 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.054 -3.687 -13.343 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.614 -3.176 -13.956 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.918 -1.041 -14.327 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.034 -0.958 -12.816 1.00 0.00 H new ATOM 0 HE ARG A 22 0.554 -2.630 -14.305 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.921 0.522 -14.937 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.368 1.031 -16.033 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.198 -1.964 -15.711 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.125 -0.369 -16.469 1.00 0.00 H new ATOM 116 N LEU A 23 -3.407 0.151 -11.286 1.00 0.00 N ATOM 117 CA LEU A 23 -3.320 1.574 -11.603 1.00 0.00 C ATOM 118 C LEU A 23 -2.062 2.194 -11.005 1.00 0.00 C ATOM 119 O LEU A 23 -1.532 1.709 -10.005 1.00 0.00 O ATOM 120 CB LEU A 23 -4.556 2.327 -11.089 1.00 0.00 C ATOM 121 CG LEU A 23 -5.738 1.449 -10.676 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.552 2.127 -9.586 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.612 1.136 -11.881 1.00 0.00 C ATOM 0 H LEU A 23 -3.247 -0.072 -10.304 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.275 1.663 -12.688 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.260 2.934 -10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.890 3.014 -11.866 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.350 0.511 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.389 1.487 -9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.920 2.301 -8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.932 3.080 -9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.449 0.510 -11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.992 2.065 -12.306 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.023 0.608 -12.631 1.00 0.00 H new ATOM 135 N ASN A 24 -1.596 3.278 -11.617 1.00 0.00 N ATOM 136 CA ASN A 24 -0.409 3.979 -11.140 1.00 0.00 C ATOM 137 C ASN A 24 -0.811 5.240 -10.384 1.00 0.00 C ATOM 138 O ASN A 24 -1.415 6.148 -10.955 1.00 0.00 O ATOM 139 CB ASN A 24 0.505 4.339 -12.313 1.00 0.00 C ATOM 140 CG ASN A 24 1.017 3.116 -13.047 1.00 0.00 C ATOM 141 OD1 ASN A 24 0.296 2.132 -13.217 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.268 3.172 -13.489 1.00 0.00 N ATOM 0 H ASN A 24 -2.023 3.691 -12.446 1.00 0.00 H new ATOM 0 HA ASN A 24 0.135 3.320 -10.463 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.039 4.976 -13.011 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.352 4.919 -11.945 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.667 2.379 -13.992 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.830 4.008 -13.326 1.00 0.00 H new ATOM 149 N ILE A 25 -0.488 5.289 -9.095 1.00 0.00 N ATOM 150 CA ILE A 25 -0.837 6.440 -8.270 1.00 0.00 C ATOM 151 C ILE A 25 0.357 6.949 -7.472 1.00 0.00 C ATOM 152 O ILE A 25 0.901 6.239 -6.626 1.00 0.00 O ATOM 153 CB ILE A 25 -1.979 6.100 -7.292 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.156 5.468 -8.040 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.428 7.347 -6.545 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.933 4.470 -7.210 1.00 0.00 C ATOM 0 H ILE A 25 0.012 4.549 -8.602 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.163 7.222 -8.956 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.607 5.378 -6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.831 6.257 -8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.782 4.971 -8.935 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.235 7.089 -5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.589 7.756 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.782 8.091 -7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.752 4.062 -7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.271 3.661 -6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.337 4.967 -6.328 1.00 0.00 H new ATOM 168 N GLN A 26 0.743 8.193 -7.732 1.00 0.00 N ATOM 169 CA GLN A 26 1.857 8.813 -7.026 1.00 0.00 C ATOM 170 C GLN A 26 1.347 9.954 -6.151 1.00 0.00 C ATOM 171 O GLN A 26 0.285 10.517 -6.414 1.00 0.00 O ATOM 172 CB GLN A 26 2.909 9.322 -8.015 1.00 0.00 C ATOM 173 CG GLN A 26 2.445 10.495 -8.859 1.00 0.00 C ATOM 174 CD GLN A 26 1.564 10.070 -10.017 1.00 0.00 C ATOM 175 OE1 GLN A 26 0.412 10.496 -10.126 1.00 0.00 O ATOM 176 NE2 GLN A 26 2.099 9.224 -10.889 1.00 0.00 N ATOM 0 H GLN A 26 0.300 8.793 -8.428 1.00 0.00 H new ATOM 0 HA GLN A 26 2.328 8.064 -6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.801 9.616 -7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.198 8.504 -8.675 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.897 11.196 -8.229 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.315 11.026 -9.245 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.056 8.897 -10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.553 8.901 -11.688 1.00 0.00 H new ATOM 185 N LEU A 27 2.091 10.280 -5.100 1.00 0.00 N ATOM 186 CA LEU A 27 1.681 11.343 -4.189 1.00 0.00 C ATOM 187 C LEU A 27 2.808 12.330 -3.912 1.00 0.00 C ATOM 188 O LEU A 27 3.910 11.943 -3.532 1.00 0.00 O ATOM 189 CB LEU A 27 1.195 10.740 -2.870 1.00 0.00 C ATOM 190 CG LEU A 27 -0.072 9.891 -2.977 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.368 9.204 -1.653 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.251 10.747 -3.414 1.00 0.00 C ATOM 0 H LEU A 27 2.973 9.829 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 27 0.871 11.890 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.993 10.125 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.014 11.549 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 27 0.091 9.121 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.273 8.604 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.468 8.559 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.511 9.956 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.144 10.127 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.416 11.539 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.038 11.190 -4.387 1.00 0.00 H new ATOM 204 N LYS A 28 2.509 13.613 -4.089 1.00 0.00 N ATOM 205 CA LYS A 28 3.483 14.666 -3.841 1.00 0.00 C ATOM 206 C LYS A 28 3.618 14.918 -2.345 1.00 0.00 C ATOM 207 O LYS A 28 2.698 15.432 -1.708 1.00 0.00 O ATOM 208 CB LYS A 28 3.068 15.958 -4.547 1.00 0.00 C ATOM 209 CG LYS A 28 4.126 17.045 -4.485 1.00 0.00 C ATOM 210 CD LYS A 28 5.446 16.561 -5.059 1.00 0.00 C ATOM 211 CE LYS A 28 6.484 17.673 -5.089 1.00 0.00 C ATOM 212 NZ LYS A 28 7.573 17.391 -6.064 1.00 0.00 N ATOM 0 H LYS A 28 1.598 13.947 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 28 4.446 14.342 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.845 15.737 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.148 16.330 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.785 17.920 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.269 17.358 -3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.820 15.729 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.288 16.183 -6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.000 18.614 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.911 17.798 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.259 18.172 -6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.052 16.506 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.169 17.297 -7.018 1.00 0.00 H new ATOM 226 N LYS A 29 4.763 14.546 -1.787 1.00 0.00 N ATOM 227 CA LYS A 29 5.014 14.726 -0.361 1.00 0.00 C ATOM 228 C LYS A 29 4.644 16.134 0.097 1.00 0.00 C ATOM 229 O LYS A 29 5.082 17.125 -0.487 1.00 0.00 O ATOM 230 CB LYS A 29 6.484 14.448 -0.045 1.00 0.00 C ATOM 231 CG LYS A 29 6.793 14.453 1.442 1.00 0.00 C ATOM 232 CD LYS A 29 7.204 13.076 1.934 1.00 0.00 C ATOM 233 CE LYS A 29 6.740 12.836 3.360 1.00 0.00 C ATOM 234 NZ LYS A 29 6.820 11.397 3.736 1.00 0.00 N ATOM 0 H LYS A 29 5.534 14.117 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 29 4.386 14.017 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.761 13.480 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.102 15.197 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.592 15.166 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.916 14.791 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.782 12.313 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.288 12.978 1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.351 13.424 4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.713 13.183 3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.761 11.305 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.033 10.879 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.723 11.001 3.404 1.00 0.00 H new ATOM 248 N GLY A 30 3.831 16.214 1.146 1.00 0.00 N ATOM 249 CA GLY A 30 3.413 17.501 1.667 1.00 0.00 C ATOM 250 C GLY A 30 3.465 17.561 3.181 1.00 0.00 C ATOM 251 O GLY A 30 4.447 18.026 3.758 1.00 0.00 O ATOM 0 H GLY A 30 3.454 15.408 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.052 18.281 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.397 17.711 1.333 1.00 0.00 H new ATOM 255 N THR A 31 2.404 17.088 3.827 1.00 0.00 N ATOM 256 CA THR A 31 2.332 17.090 5.286 1.00 0.00 C ATOM 257 C THR A 31 1.556 15.880 5.795 1.00 0.00 C ATOM 258 O THR A 31 0.773 15.276 5.060 1.00 0.00 O ATOM 259 CB THR A 31 1.674 18.378 5.783 1.00 0.00 C ATOM 260 OG1 THR A 31 0.773 18.886 4.815 1.00 0.00 O ATOM 261 CG2 THR A 31 2.669 19.472 6.103 1.00 0.00 C ATOM 0 H THR A 31 1.582 16.699 3.365 1.00 0.00 H new ATOM 0 HA THR A 31 3.349 17.036 5.675 1.00 0.00 H new ATOM 0 HB THR A 31 1.154 18.102 6.700 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.361 19.709 5.152 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.137 20.358 6.450 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.349 19.129 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.239 19.719 5.207 1.00 0.00 H new ATOM 269 N GLU A 32 1.776 15.531 7.060 1.00 0.00 N ATOM 270 CA GLU A 32 1.097 14.393 7.670 1.00 0.00 C ATOM 271 C GLU A 32 1.363 13.111 6.885 1.00 0.00 C ATOM 272 O GLU A 32 0.455 12.537 6.286 1.00 0.00 O ATOM 273 CB GLU A 32 -0.408 14.654 7.750 1.00 0.00 C ATOM 274 CG GLU A 32 -0.763 15.959 8.446 1.00 0.00 C ATOM 275 CD GLU A 32 -1.010 17.092 7.469 1.00 0.00 C ATOM 276 OE1 GLU A 32 -1.386 16.809 6.313 1.00 0.00 O ATOM 277 OE2 GLU A 32 -0.824 18.264 7.860 1.00 0.00 O ATOM 0 H GLU A 32 2.419 16.020 7.682 1.00 0.00 H new ATOM 0 HA GLU A 32 1.491 14.266 8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.820 14.666 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.884 13.828 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.653 15.810 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.045 16.237 9.123 1.00 0.00 H new ATOM 284 N GLY A 33 2.618 12.669 6.890 1.00 0.00 N ATOM 285 CA GLY A 33 2.981 11.461 6.173 1.00 0.00 C ATOM 286 C GLY A 33 2.618 11.529 4.702 1.00 0.00 C ATOM 287 O GLY A 33 3.083 12.412 3.983 1.00 0.00 O ATOM 0 H GLY A 33 3.389 13.126 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.053 11.292 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.480 10.607 6.629 1.00 0.00 H new ATOM 291 N LEU A 34 1.782 10.597 4.256 1.00 0.00 N ATOM 292 CA LEU A 34 1.357 10.560 2.860 1.00 0.00 C ATOM 293 C LEU A 34 -0.164 10.613 2.752 1.00 0.00 C ATOM 294 O LEU A 34 -0.705 11.241 1.842 1.00 0.00 O ATOM 295 CB LEU A 34 1.889 9.301 2.173 1.00 0.00 C ATOM 296 CG LEU A 34 3.164 9.502 1.352 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.533 8.224 0.618 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.989 10.652 0.370 1.00 0.00 C ATOM 0 H LEU A 34 1.386 9.859 4.838 1.00 0.00 H new ATOM 0 HA LEU A 34 1.768 11.436 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.080 8.544 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.112 8.907 1.518 1.00 0.00 H new ATOM 0 HG LEU A 34 3.977 9.752 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.442 8.386 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.700 7.425 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.721 7.943 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.905 10.781 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.163 10.430 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.773 11.569 0.918 1.00 0.00 H new ATOM 310 N GLY A 35 -0.847 9.959 3.683 1.00 0.00 N ATOM 311 CA GLY A 35 -2.298 9.953 3.669 1.00 0.00 C ATOM 312 C GLY A 35 -2.885 8.563 3.528 1.00 0.00 C ATOM 313 O GLY A 35 -4.084 8.413 3.290 1.00 0.00 O ATOM 0 H GLY A 35 -0.423 9.433 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.666 10.405 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.650 10.575 2.846 1.00 0.00 H new ATOM 317 N PHE A 36 -2.047 7.543 3.674 1.00 0.00 N ATOM 318 CA PHE A 36 -2.509 6.167 3.556 1.00 0.00 C ATOM 319 C PHE A 36 -1.604 5.215 4.326 1.00 0.00 C ATOM 320 O PHE A 36 -0.379 5.316 4.261 1.00 0.00 O ATOM 321 CB PHE A 36 -2.570 5.753 2.083 1.00 0.00 C ATOM 322 CG PHE A 36 -1.221 5.627 1.431 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.461 4.482 1.602 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.715 6.655 0.652 1.00 0.00 C ATOM 325 CE1 PHE A 36 0.780 4.363 1.005 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.526 6.541 0.054 1.00 0.00 C ATOM 327 CZ PHE A 36 1.274 5.394 0.230 1.00 0.00 C ATOM 0 H PHE A 36 -1.051 7.642 3.873 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.509 6.111 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.091 4.799 2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.162 6.485 1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.842 3.673 2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.296 7.554 0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.363 3.465 1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.910 7.349 -0.551 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.243 5.303 -0.237 1.00 0.00 H new ATOM 337 N SER A 37 -2.217 4.282 5.043 1.00 0.00 N ATOM 338 CA SER A 37 -1.472 3.296 5.814 1.00 0.00 C ATOM 339 C SER A 37 -1.546 1.944 5.121 1.00 0.00 C ATOM 340 O SER A 37 -2.611 1.527 4.670 1.00 0.00 O ATOM 341 CB SER A 37 -2.030 3.192 7.234 1.00 0.00 C ATOM 342 OG SER A 37 -2.727 4.372 7.596 1.00 0.00 O ATOM 0 H SER A 37 -3.231 4.188 5.106 1.00 0.00 H new ATOM 0 HA SER A 37 -0.430 3.611 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.700 2.335 7.303 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.215 3.017 7.936 1.00 0.00 H new ATOM 0 HG SER A 37 -3.075 4.280 8.507 1.00 0.00 H new ATOM 348 N ILE A 38 -0.409 1.265 5.019 1.00 0.00 N ATOM 349 CA ILE A 38 -0.365 -0.029 4.356 1.00 0.00 C ATOM 350 C ILE A 38 -0.251 -1.177 5.346 1.00 0.00 C ATOM 351 O ILE A 38 0.494 -1.105 6.325 1.00 0.00 O ATOM 352 CB ILE A 38 0.802 -0.122 3.362 1.00 0.00 C ATOM 353 CG1 ILE A 38 2.110 0.290 4.034 1.00 0.00 C ATOM 354 CG2 ILE A 38 0.523 0.745 2.146 1.00 0.00 C ATOM 355 CD1 ILE A 38 3.322 0.143 3.138 1.00 0.00 C ATOM 0 H ILE A 38 0.487 1.587 5.384 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.308 -0.116 3.817 1.00 0.00 H new ATOM 0 HB ILE A 38 0.902 -1.156 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.032 1.328 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.255 -0.314 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.357 0.672 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.390 0.404 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.402 1.782 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.215 0.453 3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.426 -0.899 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.199 0.768 2.254 1.00 0.00 H new ATOM 367 N THR A 39 -0.985 -2.241 5.062 1.00 0.00 N ATOM 368 CA THR A 39 -0.975 -3.434 5.898 1.00 0.00 C ATOM 369 C THR A 39 -0.205 -4.554 5.207 1.00 0.00 C ATOM 370 O THR A 39 0.120 -4.455 4.023 1.00 0.00 O ATOM 371 CB THR A 39 -2.403 -3.892 6.208 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.414 -5.242 6.638 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.341 -3.780 5.026 1.00 0.00 C ATOM 0 H THR A 39 -1.601 -2.304 4.251 1.00 0.00 H new ATOM 0 HA THR A 39 -0.480 -3.189 6.838 1.00 0.00 H new ATOM 0 HB THR A 39 -2.755 -3.223 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.335 -5.516 6.833 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.335 -4.121 5.316 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.395 -2.741 4.701 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.970 -4.397 4.208 1.00 0.00 H new ATOM 381 N SER A 40 0.087 -5.617 5.946 1.00 0.00 N ATOM 382 CA SER A 40 0.821 -6.750 5.392 1.00 0.00 C ATOM 383 C SER A 40 0.120 -8.065 5.706 1.00 0.00 C ATOM 384 O SER A 40 -0.226 -8.336 6.855 1.00 0.00 O ATOM 385 CB SER A 40 2.249 -6.775 5.941 1.00 0.00 C ATOM 386 OG SER A 40 2.291 -7.370 7.227 1.00 0.00 O ATOM 0 H SER A 40 -0.172 -5.719 6.927 1.00 0.00 H new ATOM 0 HA SER A 40 0.855 -6.631 4.309 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.894 -7.329 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.639 -5.759 5.994 1.00 0.00 H new ATOM 0 HG SER A 40 2.228 -8.344 7.139 1.00 0.00 H new ATOM 392 N ARG A 41 -0.082 -8.884 4.677 1.00 0.00 N ATOM 393 CA ARG A 41 -0.740 -10.174 4.850 1.00 0.00 C ATOM 394 C ARG A 41 0.046 -11.058 5.813 1.00 0.00 C ATOM 395 O ARG A 41 -0.517 -11.941 6.461 1.00 0.00 O ATOM 396 CB ARG A 41 -0.895 -10.879 3.503 1.00 0.00 C ATOM 397 CG ARG A 41 -2.131 -11.764 3.419 1.00 0.00 C ATOM 398 CD ARG A 41 -1.852 -13.046 2.648 1.00 0.00 C ATOM 399 NE ARG A 41 -2.281 -14.232 3.385 1.00 0.00 N ATOM 400 CZ ARG A 41 -2.180 -15.474 2.916 1.00 0.00 C ATOM 401 NH1 ARG A 41 -1.665 -15.695 1.711 1.00 0.00 N ATOM 402 NH2 ARG A 41 -2.593 -16.497 3.650 1.00 0.00 N ATOM 0 H ARG A 41 0.200 -8.678 3.719 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.729 -9.995 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.940 -10.130 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.010 -11.487 3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.471 -12.011 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.939 -11.216 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.366 -13.010 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.785 -13.117 2.436 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.682 -14.101 4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.345 -14.912 1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.589 -16.648 1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.989 -16.334 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.515 -17.448 3.289 1.00 0.00 H new ATOM 416 N ASP A 42 1.351 -10.815 5.905 1.00 0.00 N ATOM 417 CA ASP A 42 2.214 -11.587 6.789 1.00 0.00 C ATOM 418 C ASP A 42 2.238 -13.057 6.381 1.00 0.00 C ATOM 419 O ASP A 42 2.074 -13.948 7.213 1.00 0.00 O ATOM 420 CB ASP A 42 1.747 -11.453 8.240 1.00 0.00 C ATOM 421 CG ASP A 42 2.412 -10.295 8.957 1.00 0.00 C ATOM 422 OD1 ASP A 42 1.875 -9.170 8.896 1.00 0.00 O ATOM 423 OD2 ASP A 42 3.474 -10.514 9.579 1.00 0.00 O ATOM 0 H ASP A 42 1.833 -10.088 5.376 1.00 0.00 H new ATOM 0 HA ASP A 42 3.226 -11.190 6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.666 -11.316 8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.961 -12.379 8.774 1.00 0.00 H new ATOM 428 N VAL A 43 2.446 -13.302 5.090 1.00 0.00 N ATOM 429 CA VAL A 43 2.494 -14.663 4.571 1.00 0.00 C ATOM 430 C VAL A 43 3.629 -15.452 5.212 1.00 0.00 C ATOM 431 O VAL A 43 3.398 -16.357 6.013 1.00 0.00 O ATOM 432 CB VAL A 43 2.675 -14.675 3.040 1.00 0.00 C ATOM 433 CG1 VAL A 43 2.689 -16.101 2.508 1.00 0.00 C ATOM 434 CG2 VAL A 43 1.583 -13.859 2.366 1.00 0.00 C ATOM 0 H VAL A 43 2.584 -12.576 4.386 1.00 0.00 H new ATOM 0 HA VAL A 43 1.542 -15.132 4.819 1.00 0.00 H new ATOM 0 HB VAL A 43 3.637 -14.218 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.818 -16.084 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.513 -16.651 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.746 -16.590 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.728 -13.879 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.609 -14.283 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.629 -12.829 2.719 1.00 0.00 H new ATOM 444 N THR A 44 4.855 -15.103 4.844 1.00 0.00 N ATOM 445 CA THR A 44 6.033 -15.773 5.369 1.00 0.00 C ATOM 446 C THR A 44 6.713 -14.925 6.440 1.00 0.00 C ATOM 447 O THR A 44 6.696 -13.695 6.374 1.00 0.00 O ATOM 448 CB THR A 44 7.009 -16.062 4.232 1.00 0.00 C ATOM 449 OG1 THR A 44 7.101 -14.950 3.358 1.00 0.00 O ATOM 450 CG2 THR A 44 6.626 -17.267 3.401 1.00 0.00 C ATOM 0 H THR A 44 5.058 -14.355 4.180 1.00 0.00 H new ATOM 0 HA THR A 44 5.721 -16.711 5.828 1.00 0.00 H new ATOM 0 HB THR A 44 7.963 -16.267 4.717 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.327 -14.941 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.363 -17.414 2.612 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.594 -18.152 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.645 -17.105 2.955 1.00 0.00 H new ATOM 458 N ILE A 45 7.309 -15.590 7.425 1.00 0.00 N ATOM 459 CA ILE A 45 7.996 -14.898 8.509 1.00 0.00 C ATOM 460 C ILE A 45 9.033 -13.915 7.972 1.00 0.00 C ATOM 461 O ILE A 45 9.325 -12.900 8.603 1.00 0.00 O ATOM 462 CB ILE A 45 8.693 -15.893 9.455 1.00 0.00 C ATOM 463 CG1 ILE A 45 7.745 -17.034 9.814 1.00 0.00 C ATOM 464 CG2 ILE A 45 9.179 -15.181 10.709 1.00 0.00 C ATOM 465 CD1 ILE A 45 8.157 -18.369 9.232 1.00 0.00 C ATOM 0 H ILE A 45 7.330 -16.607 7.494 1.00 0.00 H new ATOM 0 HA ILE A 45 7.235 -14.349 9.063 1.00 0.00 H new ATOM 0 HB ILE A 45 9.559 -16.314 8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.690 -17.122 10.899 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.743 -16.787 9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.669 -15.898 11.368 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.887 -14.399 10.432 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.330 -14.735 11.227 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.438 -19.133 9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.185 -18.299 8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.146 -18.638 9.604 1.00 0.00 H new ATOM 477 N GLY A 46 9.583 -14.227 6.803 1.00 0.00 N ATOM 478 CA GLY A 46 10.580 -13.363 6.199 1.00 0.00 C ATOM 479 C GLY A 46 10.966 -13.813 4.804 1.00 0.00 C ATOM 480 O GLY A 46 12.033 -14.393 4.605 1.00 0.00 O ATOM 0 H GLY A 46 9.356 -15.062 6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.195 -12.344 6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.469 -13.342 6.830 1.00 0.00 H new ATOM 484 N GLY A 47 10.093 -13.548 3.837 1.00 0.00 N ATOM 485 CA GLY A 47 10.364 -13.938 2.466 1.00 0.00 C ATOM 486 C GLY A 47 9.535 -13.156 1.466 1.00 0.00 C ATOM 487 O GLY A 47 9.998 -12.163 0.906 1.00 0.00 O ATOM 0 H GLY A 47 9.203 -13.070 3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.422 -13.789 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.162 -15.002 2.348 1.00 0.00 H new ATOM 491 N SER A 48 8.305 -13.607 1.239 1.00 0.00 N ATOM 492 CA SER A 48 7.411 -12.941 0.298 1.00 0.00 C ATOM 493 C SER A 48 6.030 -12.733 0.908 1.00 0.00 C ATOM 494 O SER A 48 5.354 -13.692 1.284 1.00 0.00 O ATOM 495 CB SER A 48 7.296 -13.759 -0.990 1.00 0.00 C ATOM 496 OG SER A 48 8.404 -13.527 -1.843 1.00 0.00 O ATOM 0 H SER A 48 7.905 -14.429 1.692 1.00 0.00 H new ATOM 0 HA SER A 48 7.833 -11.963 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.237 -14.820 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.373 -13.499 -1.509 1.00 0.00 H new ATOM 0 HG SER A 48 8.307 -14.063 -2.658 1.00 0.00 H new ATOM 502 N ALA A 49 5.614 -11.474 0.998 1.00 0.00 N ATOM 503 CA ALA A 49 4.311 -11.134 1.556 1.00 0.00 C ATOM 504 C ALA A 49 3.710 -9.929 0.832 1.00 0.00 C ATOM 505 O ALA A 49 4.373 -8.907 0.661 1.00 0.00 O ATOM 506 CB ALA A 49 4.432 -10.854 3.046 1.00 0.00 C ATOM 0 H ALA A 49 6.162 -10.671 0.691 1.00 0.00 H new ATOM 0 HA ALA A 49 3.644 -11.984 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.451 -10.601 3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.816 -11.740 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.116 -10.020 3.205 1.00 0.00 H new ATOM 512 N PRO A 50 2.444 -10.034 0.384 1.00 0.00 N ATOM 513 CA PRO A 50 1.769 -8.946 -0.331 1.00 0.00 C ATOM 514 C PRO A 50 1.315 -7.819 0.594 1.00 0.00 C ATOM 515 O PRO A 50 0.846 -8.063 1.707 1.00 0.00 O ATOM 516 CB PRO A 50 0.561 -9.642 -0.955 1.00 0.00 C ATOM 517 CG PRO A 50 0.254 -10.764 -0.024 1.00 0.00 C ATOM 518 CD PRO A 50 1.575 -11.219 0.532 1.00 0.00 C ATOM 0 HA PRO A 50 2.429 -8.463 -1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.285 -8.961 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.787 -10.008 -1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.413 -10.437 0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.250 -11.577 -0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.487 -11.523 1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.967 -12.075 -0.018 1.00 0.00 H new ATOM 526 N ILE A 51 1.457 -6.584 0.118 1.00 0.00 N ATOM 527 CA ILE A 51 1.063 -5.410 0.889 1.00 0.00 C ATOM 528 C ILE A 51 -0.227 -4.803 0.340 1.00 0.00 C ATOM 529 O ILE A 51 -0.520 -4.919 -0.851 1.00 0.00 O ATOM 530 CB ILE A 51 2.168 -4.337 0.867 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.523 -4.960 1.228 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.818 -3.190 1.809 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.833 -4.962 2.712 1.00 0.00 C ATOM 0 H ILE A 51 1.844 -6.371 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 51 0.900 -5.739 1.915 1.00 0.00 H new ATOM 0 HB ILE A 51 2.242 -3.930 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.547 -5.987 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.310 -4.417 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.610 -2.441 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.878 -2.736 1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.716 -3.572 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.808 -5.420 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.845 -3.937 3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.069 -5.531 3.242 1.00 0.00 H new ATOM 545 N TYR A 52 -0.993 -4.156 1.214 1.00 0.00 N ATOM 546 CA TYR A 52 -2.250 -3.531 0.814 1.00 0.00 C ATOM 547 C TYR A 52 -2.492 -2.246 1.599 1.00 0.00 C ATOM 548 O TYR A 52 -1.739 -1.918 2.516 1.00 0.00 O ATOM 549 CB TYR A 52 -3.417 -4.496 1.029 1.00 0.00 C ATOM 550 CG TYR A 52 -3.171 -5.883 0.479 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.544 -6.854 1.249 1.00 0.00 C ATOM 552 CD2 TYR A 52 -3.568 -6.222 -0.809 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.318 -8.124 0.751 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.346 -7.488 -1.314 1.00 0.00 C ATOM 555 CZ TYR A 52 -2.721 -8.435 -0.532 1.00 0.00 C ATOM 556 OH TYR A 52 -2.499 -9.698 -1.031 1.00 0.00 O ATOM 0 H TYR A 52 -0.766 -4.051 2.203 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.181 -3.284 -0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.623 -4.570 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.310 -4.082 0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.228 -6.613 2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.058 -5.483 -1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.829 -8.868 1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.661 -7.735 -2.317 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.843 -9.753 -1.947 1.00 0.00 H new ATOM 566 N VAL A 53 -3.548 -1.524 1.236 1.00 0.00 N ATOM 567 CA VAL A 53 -3.890 -0.279 1.915 1.00 0.00 C ATOM 568 C VAL A 53 -4.726 -0.551 3.158 1.00 0.00 C ATOM 569 O VAL A 53 -5.937 -0.755 3.076 1.00 0.00 O ATOM 570 CB VAL A 53 -4.664 0.677 0.987 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.834 2.038 1.645 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.954 0.811 -0.353 1.00 0.00 C ATOM 0 H VAL A 53 -4.180 -1.779 0.477 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.951 0.194 2.204 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.654 0.258 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.383 2.700 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.388 1.925 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.854 2.466 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.515 1.490 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.951 1.207 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.888 -0.167 -0.829 1.00 0.00 H new ATOM 582 N LYS A 54 -4.067 -0.553 4.311 1.00 0.00 N ATOM 583 CA LYS A 54 -4.740 -0.803 5.578 1.00 0.00 C ATOM 584 C LYS A 54 -5.825 0.234 5.832 1.00 0.00 C ATOM 585 O LYS A 54 -6.860 -0.073 6.427 1.00 0.00 O ATOM 586 CB LYS A 54 -3.731 -0.791 6.725 1.00 0.00 C ATOM 587 CG LYS A 54 -4.292 -1.325 8.033 1.00 0.00 C ATOM 588 CD LYS A 54 -3.240 -1.329 9.132 1.00 0.00 C ATOM 589 CE LYS A 54 -3.309 -2.598 9.964 1.00 0.00 C ATOM 590 NZ LYS A 54 -4.627 -2.753 10.636 1.00 0.00 N ATOM 0 H LYS A 54 -3.065 -0.384 4.393 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.208 -1.786 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.863 -1.387 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.380 0.230 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.140 -0.714 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.666 -2.338 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.249 -1.237 8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.383 -0.462 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.124 -3.461 9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.519 -2.583 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.598 -3.575 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.839 -1.897 11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.367 -2.896 9.920 1.00 0.00 H new ATOM 604 N ASN A 55 -5.587 1.465 5.384 1.00 0.00 N ATOM 605 CA ASN A 55 -6.561 2.539 5.579 1.00 0.00 C ATOM 606 C ASN A 55 -6.094 3.857 4.971 1.00 0.00 C ATOM 607 O ASN A 55 -4.901 4.160 4.946 1.00 0.00 O ATOM 608 CB ASN A 55 -6.837 2.738 7.071 1.00 0.00 C ATOM 609 CG ASN A 55 -8.245 3.232 7.338 1.00 0.00 C ATOM 610 OD1 ASN A 55 -9.125 2.460 7.719 1.00 0.00 O ATOM 611 ND2 ASN A 55 -8.466 4.526 7.135 1.00 0.00 N ATOM 0 H ASN A 55 -4.739 1.743 4.889 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.475 2.238 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.680 1.795 7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.121 3.452 7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.395 4.916 7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.707 5.130 6.819 1.00 0.00 H new ATOM 618 N ILE A 56 -7.058 4.647 4.501 1.00 0.00 N ATOM 619 CA ILE A 56 -6.774 5.950 3.912 1.00 0.00 C ATOM 620 C ILE A 56 -7.123 7.055 4.904 1.00 0.00 C ATOM 621 O ILE A 56 -8.283 7.220 5.282 1.00 0.00 O ATOM 622 CB ILE A 56 -7.565 6.168 2.604 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.295 5.028 1.620 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.208 7.512 1.982 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.879 5.009 1.085 1.00 0.00 C ATOM 0 H ILE A 56 -8.048 4.403 4.518 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.710 5.982 3.676 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.629 6.173 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.501 4.078 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.989 5.110 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.775 7.649 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.452 8.312 2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.141 7.538 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.762 4.174 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.675 5.944 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.179 4.896 1.913 1.00 0.00 H new ATOM 637 N LEU A 57 -6.111 7.794 5.341 1.00 0.00 N ATOM 638 CA LEU A 57 -6.309 8.865 6.310 1.00 0.00 C ATOM 639 C LEU A 57 -7.069 10.048 5.704 1.00 0.00 C ATOM 640 O LEU A 57 -6.795 10.459 4.578 1.00 0.00 O ATOM 641 CB LEU A 57 -4.959 9.318 6.861 1.00 0.00 C ATOM 642 CG LEU A 57 -4.006 8.175 7.212 1.00 0.00 C ATOM 643 CD1 LEU A 57 -2.748 8.708 7.878 1.00 0.00 C ATOM 644 CD2 LEU A 57 -4.697 7.159 8.111 1.00 0.00 C ATOM 0 H LEU A 57 -5.144 7.671 5.040 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.919 8.475 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.478 9.963 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.128 9.921 7.753 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.717 7.676 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.084 7.878 8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.240 9.394 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.016 9.235 8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.003 6.353 8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.018 7.647 9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.566 6.749 7.596 1.00 0.00 H new ATOM 656 N PRO A 58 -8.046 10.607 6.450 1.00 0.00 N ATOM 657 CA PRO A 58 -8.856 11.741 5.985 1.00 0.00 C ATOM 658 C PRO A 58 -8.044 13.018 5.782 1.00 0.00 C ATOM 659 O PRO A 58 -8.528 13.980 5.185 1.00 0.00 O ATOM 660 CB PRO A 58 -9.883 11.949 7.107 1.00 0.00 C ATOM 661 CG PRO A 58 -9.846 10.699 7.916 1.00 0.00 C ATOM 662 CD PRO A 58 -8.446 10.174 7.800 1.00 0.00 C ATOM 0 HA PRO A 58 -9.297 11.528 5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.630 12.818 7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.879 12.124 6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.103 10.900 8.956 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.568 9.972 7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.793 10.589 8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.411 9.090 7.904 1.00 0.00 H new ATOM 670 N ARG A 59 -6.812 13.029 6.281 1.00 0.00 N ATOM 671 CA ARG A 59 -5.950 14.197 6.150 1.00 0.00 C ATOM 672 C ARG A 59 -4.601 13.819 5.553 1.00 0.00 C ATOM 673 O ARG A 59 -3.602 13.716 6.265 1.00 0.00 O ATOM 674 CB ARG A 59 -5.750 14.865 7.510 1.00 0.00 C ATOM 675 CG ARG A 59 -5.417 13.885 8.621 1.00 0.00 C ATOM 676 CD ARG A 59 -6.511 13.834 9.679 1.00 0.00 C ATOM 677 NE ARG A 59 -6.025 14.257 10.990 1.00 0.00 N ATOM 678 CZ ARG A 59 -5.819 15.528 11.330 1.00 0.00 C ATOM 679 NH1 ARG A 59 -6.055 16.501 10.458 1.00 0.00 N ATOM 680 NH2 ARG A 59 -5.376 15.825 12.544 1.00 0.00 N ATOM 0 H ARG A 59 -6.390 12.245 6.778 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.438 14.900 5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.948 15.599 7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.656 15.410 7.776 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.275 12.891 8.198 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.474 14.171 9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.339 14.475 9.375 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.902 12.819 9.748 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.832 13.537 11.686 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.396 16.276 9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.896 17.473 10.723 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.193 15.080 13.217 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.218 16.798 12.805 1.00 0.00 H new ATOM 694 N GLY A 60 -4.580 13.610 4.242 1.00 0.00 N ATOM 695 CA GLY A 60 -3.347 13.243 3.574 1.00 0.00 C ATOM 696 C GLY A 60 -3.356 13.577 2.095 1.00 0.00 C ATOM 697 O GLY A 60 -4.332 14.125 1.580 1.00 0.00 O ATOM 0 H GLY A 60 -5.393 13.688 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.513 13.757 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.176 12.174 3.699 1.00 0.00 H new ATOM 701 N ALA A 61 -2.263 13.253 1.413 1.00 0.00 N ATOM 702 CA ALA A 61 -2.138 13.525 -0.015 1.00 0.00 C ATOM 703 C ALA A 61 -2.956 12.544 -0.849 1.00 0.00 C ATOM 704 O ALA A 61 -3.582 12.930 -1.834 1.00 0.00 O ATOM 705 CB ALA A 61 -0.676 13.482 -0.433 1.00 0.00 C ATOM 0 H ALA A 61 -1.448 12.800 1.827 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.533 14.524 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.597 13.687 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.116 14.234 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.266 12.494 -0.221 1.00 0.00 H new ATOM 711 N ALA A 62 -2.943 11.276 -0.453 1.00 0.00 N ATOM 712 CA ALA A 62 -3.684 10.245 -1.177 1.00 0.00 C ATOM 713 C ALA A 62 -5.164 10.593 -1.278 1.00 0.00 C ATOM 714 O ALA A 62 -5.724 10.648 -2.373 1.00 0.00 O ATOM 715 CB ALA A 62 -3.501 8.890 -0.509 1.00 0.00 C ATOM 0 H ALA A 62 -2.431 10.937 0.361 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.283 10.194 -2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.059 8.134 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.443 8.627 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.869 8.937 0.516 1.00 0.00 H new ATOM 721 N ILE A 63 -5.793 10.825 -0.133 1.00 0.00 N ATOM 722 CA ILE A 63 -7.206 11.167 -0.098 1.00 0.00 C ATOM 723 C ILE A 63 -7.481 12.461 -0.852 1.00 0.00 C ATOM 724 O ILE A 63 -8.484 12.585 -1.555 1.00 0.00 O ATOM 725 CB ILE A 63 -7.708 11.302 1.350 1.00 0.00 C ATOM 726 CG1 ILE A 63 -9.131 10.764 1.442 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.636 12.752 1.830 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.599 10.548 2.859 1.00 0.00 C ATOM 0 H ILE A 63 -5.346 10.782 0.783 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.744 10.354 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.062 10.717 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.807 11.460 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.191 9.820 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.998 12.814 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.603 13.098 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.256 13.379 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.619 10.164 2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.945 9.829 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.572 11.494 3.399 1.00 0.00 H new ATOM 740 N GLN A 64 -6.587 13.427 -0.690 1.00 0.00 N ATOM 741 CA GLN A 64 -6.723 14.706 -1.332 1.00 0.00 C ATOM 742 C GLN A 64 -6.542 14.570 -2.842 1.00 0.00 C ATOM 743 O GLN A 64 -7.195 15.264 -3.621 1.00 0.00 O ATOM 744 CB GLN A 64 -5.697 15.666 -0.733 1.00 0.00 C ATOM 745 CG GLN A 64 -5.449 16.875 -1.589 1.00 0.00 C ATOM 746 CD GLN A 64 -4.503 17.871 -0.945 1.00 0.00 C ATOM 747 OE1 GLN A 64 -4.480 18.024 0.275 1.00 0.00 O ATOM 748 NE2 GLN A 64 -3.717 18.554 -1.769 1.00 0.00 N ATOM 0 H GLN A 64 -5.753 13.336 -0.110 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.724 15.102 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.041 15.989 0.250 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.757 15.136 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.037 16.557 -2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.399 17.367 -1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.771 18.394 -2.775 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.060 19.239 -1.396 1.00 0.00 H new ATOM 757 N ASP A 65 -5.658 13.663 -3.246 1.00 0.00 N ATOM 758 CA ASP A 65 -5.399 13.426 -4.659 1.00 0.00 C ATOM 759 C ASP A 65 -6.578 12.708 -5.308 1.00 0.00 C ATOM 760 O ASP A 65 -6.886 12.930 -6.479 1.00 0.00 O ATOM 761 CB ASP A 65 -4.124 12.598 -4.838 1.00 0.00 C ATOM 762 CG ASP A 65 -3.498 12.789 -6.206 1.00 0.00 C ATOM 763 OD1 ASP A 65 -4.220 13.213 -7.133 1.00 0.00 O ATOM 764 OD2 ASP A 65 -2.290 12.512 -6.350 1.00 0.00 O ATOM 0 H ASP A 65 -5.109 13.081 -2.613 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.265 14.392 -5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.403 12.876 -4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.356 11.543 -4.691 1.00 0.00 H new ATOM 769 N GLY A 66 -7.230 11.844 -4.537 1.00 0.00 N ATOM 770 CA GLY A 66 -8.366 11.101 -5.050 1.00 0.00 C ATOM 771 C GLY A 66 -7.971 10.145 -6.157 1.00 0.00 C ATOM 772 O GLY A 66 -8.534 10.184 -7.250 1.00 0.00 O ATOM 0 H GLY A 66 -6.992 11.645 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.829 10.542 -4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.115 11.799 -5.425 1.00 0.00 H new ATOM 776 N ARG A 67 -6.995 9.288 -5.874 1.00 0.00 N ATOM 777 CA ARG A 67 -6.521 8.322 -6.858 1.00 0.00 C ATOM 778 C ARG A 67 -6.394 6.929 -6.250 1.00 0.00 C ATOM 779 O ARG A 67 -6.814 5.940 -6.851 1.00 0.00 O ATOM 780 CB ARG A 67 -5.174 8.768 -7.428 1.00 0.00 C ATOM 781 CG ARG A 67 -5.209 10.150 -8.059 1.00 0.00 C ATOM 782 CD ARG A 67 -4.007 10.384 -8.960 1.00 0.00 C ATOM 783 NE ARG A 67 -4.235 9.890 -10.316 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.262 9.652 -11.192 1.00 0.00 C ATOM 785 NH1 ARG A 67 -1.993 9.859 -10.859 1.00 0.00 N ATOM 786 NH2 ARG A 67 -3.557 9.203 -12.405 1.00 0.00 N ATOM 0 H ARG A 67 -6.518 9.243 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.255 8.275 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.431 8.760 -6.631 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.847 8.045 -8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.126 10.263 -8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.231 10.908 -7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.783 11.450 -8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.134 9.888 -8.536 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.197 9.717 -10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.760 10.202 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.252 9.675 -11.535 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.530 9.040 -12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.811 9.021 -13.077 1.00 0.00 H new ATOM 800 N LEU A 68 -5.810 6.857 -5.059 1.00 0.00 N ATOM 801 CA LEU A 68 -5.625 5.582 -4.378 1.00 0.00 C ATOM 802 C LEU A 68 -6.452 5.524 -3.096 1.00 0.00 C ATOM 803 O LEU A 68 -6.277 6.339 -2.190 1.00 0.00 O ATOM 804 CB LEU A 68 -4.131 5.355 -4.088 1.00 0.00 C ATOM 805 CG LEU A 68 -3.772 4.980 -2.647 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.331 3.609 -2.296 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.264 5.005 -2.453 1.00 0.00 C ATOM 0 H LEU A 68 -5.457 7.665 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.976 4.782 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.770 4.566 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.589 6.263 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.220 5.715 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.066 3.360 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.416 3.622 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.912 2.862 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.025 4.736 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.798 4.291 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.887 6.006 -2.664 1.00 0.00 H new ATOM 819 N LYS A 69 -7.359 4.553 -3.031 1.00 0.00 N ATOM 820 CA LYS A 69 -8.218 4.380 -1.869 1.00 0.00 C ATOM 821 C LYS A 69 -7.842 3.122 -1.096 1.00 0.00 C ATOM 822 O LYS A 69 -6.824 2.490 -1.373 1.00 0.00 O ATOM 823 CB LYS A 69 -9.681 4.301 -2.306 1.00 0.00 C ATOM 824 CG LYS A 69 -10.403 5.636 -2.263 1.00 0.00 C ATOM 825 CD LYS A 69 -10.214 6.330 -0.925 1.00 0.00 C ATOM 826 CE LYS A 69 -11.497 6.997 -0.456 1.00 0.00 C ATOM 827 NZ LYS A 69 -11.572 7.077 1.029 1.00 0.00 N ATOM 0 H LYS A 69 -7.516 3.872 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.082 5.241 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.727 3.905 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.205 3.593 -1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.031 6.277 -3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.466 5.482 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.887 5.604 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.425 7.077 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.559 8.001 -0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.354 6.440 -0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.462 7.538 1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.539 6.118 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.768 7.631 1.388 1.00 0.00 H new ATOM 841 N ALA A 70 -8.677 2.764 -0.127 1.00 0.00 N ATOM 842 CA ALA A 70 -8.441 1.579 0.688 1.00 0.00 C ATOM 843 C ALA A 70 -8.892 0.316 -0.037 1.00 0.00 C ATOM 844 O ALA A 70 -9.688 0.379 -0.975 1.00 0.00 O ATOM 845 CB ALA A 70 -9.154 1.706 2.025 1.00 0.00 C ATOM 0 H ALA A 70 -9.524 3.278 0.113 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.369 1.500 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.968 0.813 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.780 2.582 2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.226 1.814 1.857 1.00 0.00 H new ATOM 851 N GLY A 71 -8.381 -0.829 0.402 1.00 0.00 N ATOM 852 CA GLY A 71 -8.745 -2.090 -0.218 1.00 0.00 C ATOM 853 C GLY A 71 -7.938 -2.383 -1.469 1.00 0.00 C ATOM 854 O GLY A 71 -8.215 -3.349 -2.180 1.00 0.00 O ATOM 0 H GLY A 71 -7.721 -0.907 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.601 -2.898 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.805 -2.073 -0.470 1.00 0.00 H new ATOM 858 N ASP A 72 -6.935 -1.551 -1.741 1.00 0.00 N ATOM 859 CA ASP A 72 -6.091 -1.732 -2.914 1.00 0.00 C ATOM 860 C ASP A 72 -4.875 -2.591 -2.582 1.00 0.00 C ATOM 861 O ASP A 72 -4.546 -2.790 -1.412 1.00 0.00 O ATOM 862 CB ASP A 72 -5.636 -0.375 -3.455 1.00 0.00 C ATOM 863 CG ASP A 72 -6.773 0.411 -4.078 1.00 0.00 C ATOM 864 OD1 ASP A 72 -7.763 0.687 -3.366 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.675 0.750 -5.275 1.00 0.00 O ATOM 0 H ASP A 72 -6.689 -0.747 -1.164 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.678 -2.243 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.197 0.207 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.853 -0.527 -4.198 1.00 0.00 H new ATOM 870 N ARG A 73 -4.213 -3.098 -3.616 1.00 0.00 N ATOM 871 CA ARG A 73 -3.034 -3.936 -3.433 1.00 0.00 C ATOM 872 C ARG A 73 -1.795 -3.270 -4.026 1.00 0.00 C ATOM 873 O ARG A 73 -1.736 -3.003 -5.227 1.00 0.00 O ATOM 874 CB ARG A 73 -3.255 -5.308 -4.076 1.00 0.00 C ATOM 875 CG ARG A 73 -2.042 -6.221 -4.007 1.00 0.00 C ATOM 876 CD ARG A 73 -2.296 -7.539 -4.723 1.00 0.00 C ATOM 877 NE ARG A 73 -1.125 -8.412 -4.697 1.00 0.00 N ATOM 878 CZ ARG A 73 -1.144 -9.690 -5.070 1.00 0.00 C ATOM 879 NH1 ARG A 73 -2.272 -10.246 -5.495 1.00 0.00 N ATOM 880 NH2 ARG A 73 -0.034 -10.412 -5.019 1.00 0.00 N ATOM 0 H ARG A 73 -4.473 -2.943 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.872 -4.068 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.095 -5.798 -3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.534 -5.169 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.183 -5.722 -4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.790 -6.415 -2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.138 -8.049 -4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.577 -7.341 -5.757 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.241 -8.019 -4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.129 -9.694 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.282 -11.225 -5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.835 -9.989 -4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.049 -11.391 -5.305 1.00 0.00 H new ATOM 894 N LEU A 74 -0.808 -3.003 -3.176 1.00 0.00 N ATOM 895 CA LEU A 74 0.430 -2.368 -3.612 1.00 0.00 C ATOM 896 C LEU A 74 1.300 -3.345 -4.392 1.00 0.00 C ATOM 897 O LEU A 74 1.857 -4.288 -3.830 1.00 0.00 O ATOM 898 CB LEU A 74 1.200 -1.827 -2.405 1.00 0.00 C ATOM 899 CG LEU A 74 0.964 -0.344 -2.103 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.444 -0.161 -0.685 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.240 0.456 -2.311 1.00 0.00 C ATOM 0 H LEU A 74 -0.842 -3.217 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 74 0.172 -1.539 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.926 -2.410 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.266 -1.984 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 74 0.209 0.029 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.283 0.899 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.498 -0.698 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.174 -0.553 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.051 1.507 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.017 0.080 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.568 0.355 -3.346 1.00 0.00 H new ATOM 913 N ILE A 75 1.408 -3.110 -5.695 1.00 0.00 N ATOM 914 CA ILE A 75 2.204 -3.962 -6.563 1.00 0.00 C ATOM 915 C ILE A 75 3.621 -3.419 -6.722 1.00 0.00 C ATOM 916 O ILE A 75 4.564 -4.179 -6.933 1.00 0.00 O ATOM 917 CB ILE A 75 1.553 -4.100 -7.950 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.134 -4.653 -7.798 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.400 -4.998 -8.846 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.404 -5.314 -9.047 1.00 0.00 C ATOM 0 H ILE A 75 0.951 -2.333 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 75 2.252 -4.944 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 75 1.494 -3.119 -8.421 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.122 -5.376 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.534 -3.840 -7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.927 -5.086 -9.824 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.393 -4.564 -8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.486 -5.986 -8.394 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.413 -5.680 -8.859 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.426 -4.590 -9.861 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.239 -6.150 -9.322 1.00 0.00 H new ATOM 932 N GLU A 76 3.763 -2.099 -6.624 1.00 0.00 N ATOM 933 CA GLU A 76 5.073 -1.466 -6.763 1.00 0.00 C ATOM 934 C GLU A 76 5.099 -0.085 -6.110 1.00 0.00 C ATOM 935 O GLU A 76 4.084 0.610 -6.054 1.00 0.00 O ATOM 936 CB GLU A 76 5.450 -1.343 -8.242 1.00 0.00 C ATOM 937 CG GLU A 76 6.309 -2.487 -8.755 1.00 0.00 C ATOM 938 CD GLU A 76 6.637 -2.354 -10.229 1.00 0.00 C ATOM 939 OE1 GLU A 76 5.731 -1.991 -11.009 1.00 0.00 O ATOM 940 OE2 GLU A 76 7.800 -2.614 -10.605 1.00 0.00 O ATOM 0 H GLU A 76 2.994 -1.451 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 76 5.800 -2.099 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.538 -1.292 -8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.983 -0.405 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.236 -2.526 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.790 -3.430 -8.586 1.00 0.00 H new ATOM 947 N VAL A 77 6.276 0.307 -5.628 1.00 0.00 N ATOM 948 CA VAL A 77 6.462 1.605 -4.988 1.00 0.00 C ATOM 949 C VAL A 77 7.778 2.233 -5.441 1.00 0.00 C ATOM 950 O VAL A 77 8.842 1.628 -5.303 1.00 0.00 O ATOM 951 CB VAL A 77 6.460 1.487 -3.450 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.670 2.849 -2.802 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.165 0.858 -2.965 1.00 0.00 C ATOM 0 H VAL A 77 7.121 -0.262 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 77 5.626 2.238 -5.286 1.00 0.00 H new ATOM 0 HB VAL A 77 7.288 0.841 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.665 2.741 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.628 3.260 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.868 3.523 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.182 0.783 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.322 1.477 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.060 -0.138 -3.396 1.00 0.00 H new ATOM 963 N ASN A 78 7.702 3.440 -5.990 1.00 0.00 N ATOM 964 CA ASN A 78 8.891 4.133 -6.469 1.00 0.00 C ATOM 965 C ASN A 78 9.566 3.334 -7.582 1.00 0.00 C ATOM 966 O ASN A 78 10.780 3.417 -7.773 1.00 0.00 O ATOM 967 CB ASN A 78 9.874 4.367 -5.318 1.00 0.00 C ATOM 968 CG ASN A 78 10.298 5.818 -5.206 1.00 0.00 C ATOM 969 OD1 ASN A 78 11.163 6.283 -5.948 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.687 6.542 -4.276 1.00 0.00 N ATOM 0 H ASN A 78 6.832 3.957 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 78 8.585 5.099 -6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.414 4.052 -4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.756 3.744 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.929 7.525 -4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.976 6.115 -3.683 1.00 0.00 H new ATOM 977 N GLY A 79 8.767 2.566 -8.314 1.00 0.00 N ATOM 978 CA GLY A 79 9.293 1.763 -9.402 1.00 0.00 C ATOM 979 C GLY A 79 9.956 0.481 -8.930 1.00 0.00 C ATOM 980 O GLY A 79 10.635 -0.191 -9.708 1.00 0.00 O ATOM 0 H GLY A 79 7.760 2.485 -8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.482 1.515 -10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.016 2.353 -9.964 1.00 0.00 H new ATOM 984 N VAL A 80 9.767 0.137 -7.659 1.00 0.00 N ATOM 985 CA VAL A 80 10.358 -1.073 -7.103 1.00 0.00 C ATOM 986 C VAL A 80 9.302 -2.139 -6.841 1.00 0.00 C ATOM 987 O VAL A 80 8.218 -1.846 -6.337 1.00 0.00 O ATOM 988 CB VAL A 80 11.108 -0.789 -5.789 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.837 -2.035 -5.302 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.076 0.366 -5.970 1.00 0.00 C ATOM 0 H VAL A 80 9.211 0.678 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 80 11.066 -1.438 -7.848 1.00 0.00 H new ATOM 0 HB VAL A 80 10.377 -0.509 -5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.360 -1.811 -4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.116 -2.834 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.557 -2.353 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.598 0.554 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.801 0.115 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.525 1.260 -6.264 1.00 0.00 H new ATOM 1000 N ASP A 81 9.636 -3.382 -7.173 1.00 0.00 N ATOM 1001 CA ASP A 81 8.727 -4.500 -6.961 1.00 0.00 C ATOM 1002 C ASP A 81 8.640 -4.839 -5.479 1.00 0.00 C ATOM 1003 O ASP A 81 9.639 -5.200 -4.855 1.00 0.00 O ATOM 1004 CB ASP A 81 9.194 -5.722 -7.755 1.00 0.00 C ATOM 1005 CG ASP A 81 8.195 -6.142 -8.814 1.00 0.00 C ATOM 1006 OD1 ASP A 81 8.079 -5.434 -9.836 1.00 0.00 O ATOM 1007 OD2 ASP A 81 7.527 -7.180 -8.622 1.00 0.00 O ATOM 0 H ASP A 81 10.531 -3.639 -7.590 1.00 0.00 H new ATOM 0 HA ASP A 81 7.736 -4.212 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.150 -5.499 -8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.364 -6.553 -7.070 1.00 0.00 H new ATOM 1012 N LEU A 82 7.440 -4.726 -4.919 1.00 0.00 N ATOM 1013 CA LEU A 82 7.226 -5.025 -3.507 1.00 0.00 C ATOM 1014 C LEU A 82 6.990 -6.517 -3.295 1.00 0.00 C ATOM 1015 O LEU A 82 6.447 -6.928 -2.270 1.00 0.00 O ATOM 1016 CB LEU A 82 6.036 -4.233 -2.969 1.00 0.00 C ATOM 1017 CG LEU A 82 5.956 -2.781 -3.441 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.508 -2.322 -3.498 1.00 0.00 C ATOM 1019 CD2 LEU A 82 6.770 -1.879 -2.525 1.00 0.00 C ATOM 0 H LEU A 82 6.602 -4.430 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 82 8.125 -4.734 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.118 -4.744 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.075 -4.243 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 82 6.376 -2.718 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.468 -1.286 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.954 -2.952 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.063 -2.398 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.702 -0.849 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.379 -1.944 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.812 -2.197 -2.533 1.00 0.00 H new ATOM 1031 N ALA A 83 7.405 -7.327 -4.265 1.00 0.00 N ATOM 1032 CA ALA A 83 7.238 -8.770 -4.171 1.00 0.00 C ATOM 1033 C ALA A 83 8.501 -9.426 -3.628 1.00 0.00 C ATOM 1034 O ALA A 83 9.498 -9.559 -4.337 1.00 0.00 O ATOM 1035 CB ALA A 83 6.872 -9.352 -5.528 1.00 0.00 C ATOM 0 H ALA A 83 7.858 -7.008 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 83 6.424 -8.976 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.751 -10.432 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.938 -8.909 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.664 -9.133 -6.244 1.00 0.00 H new ATOM 1041 N GLY A 84 8.453 -9.824 -2.362 1.00 0.00 N ATOM 1042 CA GLY A 84 9.603 -10.450 -1.740 1.00 0.00 C ATOM 1043 C GLY A 84 10.424 -9.465 -0.931 1.00 0.00 C ATOM 1044 O GLY A 84 11.601 -9.703 -0.659 1.00 0.00 O ATOM 0 H GLY A 84 7.639 -9.724 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.267 -11.259 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.231 -10.898 -2.510 1.00 0.00 H new ATOM 1048 N LYS A 85 9.802 -8.352 -0.548 1.00 0.00 N ATOM 1049 CA LYS A 85 10.481 -7.326 0.230 1.00 0.00 C ATOM 1050 C LYS A 85 10.098 -7.421 1.709 1.00 0.00 C ATOM 1051 O LYS A 85 10.699 -8.188 2.461 1.00 0.00 O ATOM 1052 CB LYS A 85 10.158 -5.936 -0.329 1.00 0.00 C ATOM 1053 CG LYS A 85 10.734 -5.688 -1.712 1.00 0.00 C ATOM 1054 CD LYS A 85 11.198 -4.250 -1.874 1.00 0.00 C ATOM 1055 CE LYS A 85 10.020 -3.293 -1.967 1.00 0.00 C ATOM 1056 NZ LYS A 85 9.745 -2.882 -3.371 1.00 0.00 N ATOM 0 H LYS A 85 8.828 -8.140 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 85 11.556 -7.488 0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.076 -5.812 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.542 -5.180 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.572 -6.363 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.981 -5.915 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.828 -3.972 -1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.811 -4.163 -2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.133 -3.768 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.223 -2.408 -1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.718 -2.882 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.122 -1.927 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.202 -3.550 -4.024 1.00 0.00 H new ATOM 1070 N SER A 86 9.094 -6.642 2.121 1.00 0.00 N ATOM 1071 CA SER A 86 8.626 -6.640 3.506 1.00 0.00 C ATOM 1072 C SER A 86 7.775 -5.404 3.774 1.00 0.00 C ATOM 1073 O SER A 86 7.815 -4.436 3.017 1.00 0.00 O ATOM 1074 CB SER A 86 9.805 -6.680 4.487 1.00 0.00 C ATOM 1075 OG SER A 86 9.420 -6.215 5.769 1.00 0.00 O ATOM 0 H SER A 86 8.588 -6.002 1.509 1.00 0.00 H new ATOM 0 HA SER A 86 8.021 -7.534 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.182 -7.700 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.621 -6.067 4.105 1.00 0.00 H new ATOM 0 HG SER A 86 10.189 -6.253 6.375 1.00 0.00 H new ATOM 1081 N GLN A 87 7.011 -5.441 4.857 1.00 0.00 N ATOM 1082 CA GLN A 87 6.159 -4.320 5.227 1.00 0.00 C ATOM 1083 C GLN A 87 7.009 -3.143 5.664 1.00 0.00 C ATOM 1084 O GLN A 87 6.888 -2.043 5.129 1.00 0.00 O ATOM 1085 CB GLN A 87 5.196 -4.724 6.346 1.00 0.00 C ATOM 1086 CG GLN A 87 4.272 -3.601 6.791 1.00 0.00 C ATOM 1087 CD GLN A 87 3.520 -2.972 5.634 1.00 0.00 C ATOM 1088 OE1 GLN A 87 4.121 -2.383 4.735 1.00 0.00 O ATOM 1089 NE2 GLN A 87 2.198 -3.090 5.654 1.00 0.00 N ATOM 0 H GLN A 87 6.964 -6.236 5.495 1.00 0.00 H new ATOM 0 HA GLN A 87 5.571 -4.027 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.593 -5.567 6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.773 -5.069 7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.557 -3.990 7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.857 -2.834 7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.742 -3.587 6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.638 -2.684 4.904 1.00 0.00 H new ATOM 1098 N GLU A 88 7.883 -3.389 6.627 1.00 0.00 N ATOM 1099 CA GLU A 88 8.774 -2.353 7.122 1.00 0.00 C ATOM 1100 C GLU A 88 9.677 -1.871 5.996 1.00 0.00 C ATOM 1101 O GLU A 88 10.077 -0.709 5.960 1.00 0.00 O ATOM 1102 CB GLU A 88 9.614 -2.878 8.292 1.00 0.00 C ATOM 1103 CG GLU A 88 9.507 -2.026 9.546 1.00 0.00 C ATOM 1104 CD GLU A 88 8.678 -2.686 10.630 1.00 0.00 C ATOM 1105 OE1 GLU A 88 7.438 -2.741 10.480 1.00 0.00 O ATOM 1106 OE2 GLU A 88 9.267 -3.150 11.629 1.00 0.00 O ATOM 0 H GLU A 88 7.994 -4.296 7.081 1.00 0.00 H new ATOM 0 HA GLU A 88 8.175 -1.516 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.301 -3.895 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.659 -2.929 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.507 -1.825 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.064 -1.064 9.290 1.00 0.00 H new ATOM 1113 N GLU A 89 9.976 -2.774 5.064 1.00 0.00 N ATOM 1114 CA GLU A 89 10.814 -2.428 3.924 1.00 0.00 C ATOM 1115 C GLU A 89 10.043 -1.518 2.981 1.00 0.00 C ATOM 1116 O GLU A 89 10.502 -0.432 2.626 1.00 0.00 O ATOM 1117 CB GLU A 89 11.265 -3.687 3.184 1.00 0.00 C ATOM 1118 CG GLU A 89 12.424 -4.404 3.857 1.00 0.00 C ATOM 1119 CD GLU A 89 13.768 -3.806 3.495 1.00 0.00 C ATOM 1120 OE1 GLU A 89 14.022 -2.643 3.873 1.00 0.00 O ATOM 1121 OE2 GLU A 89 14.569 -4.501 2.833 1.00 0.00 O ATOM 0 H GLU A 89 9.653 -3.741 5.077 1.00 0.00 H new ATOM 0 HA GLU A 89 11.700 -1.907 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.422 -4.373 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.555 -3.418 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.292 -4.364 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.410 -5.456 3.572 1.00 0.00 H new ATOM 1128 N VAL A 90 8.856 -1.968 2.599 1.00 0.00 N ATOM 1129 CA VAL A 90 7.990 -1.203 1.714 1.00 0.00 C ATOM 1130 C VAL A 90 7.687 0.165 2.321 1.00 0.00 C ATOM 1131 O VAL A 90 7.762 1.195 1.645 1.00 0.00 O ATOM 1132 CB VAL A 90 6.673 -1.960 1.438 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.718 -1.110 0.612 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.959 -3.279 0.737 1.00 0.00 C ATOM 0 H VAL A 90 8.469 -2.865 2.891 1.00 0.00 H new ATOM 0 HA VAL A 90 8.513 -1.066 0.767 1.00 0.00 H new ATOM 0 HB VAL A 90 6.194 -2.170 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.798 -1.667 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.487 -0.193 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.184 -0.861 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.021 -3.802 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.463 -3.086 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.598 -3.896 1.369 1.00 0.00 H new ATOM 1144 N VAL A 91 7.368 0.166 3.609 1.00 0.00 N ATOM 1145 CA VAL A 91 7.081 1.401 4.321 1.00 0.00 C ATOM 1146 C VAL A 91 8.331 2.265 4.381 1.00 0.00 C ATOM 1147 O VAL A 91 8.255 3.493 4.361 1.00 0.00 O ATOM 1148 CB VAL A 91 6.574 1.129 5.751 1.00 0.00 C ATOM 1149 CG1 VAL A 91 6.180 2.428 6.437 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.404 0.156 5.726 1.00 0.00 C ATOM 0 H VAL A 91 7.302 -0.676 4.181 1.00 0.00 H new ATOM 0 HA VAL A 91 6.294 1.923 3.777 1.00 0.00 H new ATOM 0 HB VAL A 91 7.384 0.676 6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.825 2.214 7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.045 3.089 6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.387 2.914 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.059 -0.024 6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.591 0.580 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.723 -0.785 5.279 1.00 0.00 H new ATOM 1160 N SER A 92 9.487 1.611 4.442 1.00 0.00 N ATOM 1161 CA SER A 92 10.760 2.313 4.489 1.00 0.00 C ATOM 1162 C SER A 92 10.973 3.114 3.209 1.00 0.00 C ATOM 1163 O SER A 92 11.539 4.207 3.235 1.00 0.00 O ATOM 1164 CB SER A 92 11.911 1.323 4.687 1.00 0.00 C ATOM 1165 OG SER A 92 12.357 1.321 6.033 1.00 0.00 O ATOM 0 H SER A 92 9.566 0.594 4.460 1.00 0.00 H new ATOM 0 HA SER A 92 10.742 3.001 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.585 0.321 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.738 1.585 4.027 1.00 0.00 H new ATOM 0 HG SER A 92 11.812 0.698 6.557 1.00 0.00 H new ATOM 1171 N LEU A 93 10.504 2.567 2.089 1.00 0.00 N ATOM 1172 CA LEU A 93 10.638 3.244 0.803 1.00 0.00 C ATOM 1173 C LEU A 93 9.778 4.497 0.777 1.00 0.00 C ATOM 1174 O LEU A 93 10.259 5.590 0.477 1.00 0.00 O ATOM 1175 CB LEU A 93 10.235 2.331 -0.354 1.00 0.00 C ATOM 1176 CG LEU A 93 10.577 0.859 -0.167 1.00 0.00 C ATOM 1177 CD1 LEU A 93 10.067 0.035 -1.342 1.00 0.00 C ATOM 1178 CD2 LEU A 93 12.078 0.677 0.009 1.00 0.00 C ATOM 0 H LEU A 93 10.032 1.664 2.047 1.00 0.00 H new ATOM 0 HA LEU A 93 11.687 3.514 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.160 2.421 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.719 2.688 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 93 10.082 0.504 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.322 -1.014 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.984 0.138 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.529 0.390 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.303 -0.381 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.596 1.051 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.411 1.231 0.886 1.00 0.00 H new ATOM 1190 N LEU A 94 8.499 4.331 1.102 1.00 0.00 N ATOM 1191 CA LEU A 94 7.572 5.456 1.121 1.00 0.00 C ATOM 1192 C LEU A 94 7.921 6.414 2.256 1.00 0.00 C ATOM 1193 O LEU A 94 7.697 7.619 2.157 1.00 0.00 O ATOM 1194 CB LEU A 94 6.128 4.964 1.258 1.00 0.00 C ATOM 1195 CG LEU A 94 5.732 4.454 2.644 1.00 0.00 C ATOM 1196 CD1 LEU A 94 5.361 5.615 3.554 1.00 0.00 C ATOM 1197 CD2 LEU A 94 4.580 3.468 2.537 1.00 0.00 C ATOM 0 H LEU A 94 8.084 3.434 1.354 1.00 0.00 H new ATOM 0 HA LEU A 94 7.662 5.992 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.458 5.779 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.966 4.164 0.536 1.00 0.00 H new ATOM 0 HG LEU A 94 6.587 3.938 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.082 5.233 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.214 6.286 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.520 6.160 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.310 3.114 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.721 3.960 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.882 2.621 1.921 1.00 0.00 H new ATOM 1209 N ARG A 95 8.484 5.873 3.332 1.00 0.00 N ATOM 1210 CA ARG A 95 8.880 6.689 4.474 1.00 0.00 C ATOM 1211 C ARG A 95 10.112 7.519 4.130 1.00 0.00 C ATOM 1212 O ARG A 95 10.287 8.629 4.632 1.00 0.00 O ATOM 1213 CB ARG A 95 9.164 5.809 5.691 1.00 0.00 C ATOM 1214 CG ARG A 95 7.919 5.465 6.494 1.00 0.00 C ATOM 1215 CD ARG A 95 8.169 5.580 7.989 1.00 0.00 C ATOM 1216 NE ARG A 95 8.698 6.890 8.359 1.00 0.00 N ATOM 1217 CZ ARG A 95 8.913 7.275 9.615 1.00 0.00 C ATOM 1218 NH1 ARG A 95 8.649 6.452 10.623 1.00 0.00 N ATOM 1219 NH2 ARG A 95 9.398 8.484 9.864 1.00 0.00 N ATOM 0 H ARG A 95 8.676 4.877 3.437 1.00 0.00 H new ATOM 0 HA ARG A 95 8.057 7.362 4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.639 4.886 5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.876 6.319 6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.105 6.131 6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.600 4.451 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.238 5.401 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.870 4.806 8.299 1.00 0.00 H new ATOM 0 HE ARG A 95 8.915 7.549 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.280 5.520 10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.816 6.752 11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.606 9.119 9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.563 8.779 10.826 1.00 0.00 H new ATOM 1233 N SER A 96 10.965 6.967 3.270 1.00 0.00 N ATOM 1234 CA SER A 96 12.187 7.646 2.854 1.00 0.00 C ATOM 1235 C SER A 96 11.875 8.994 2.213 1.00 0.00 C ATOM 1236 O SER A 96 12.519 9.999 2.516 1.00 0.00 O ATOM 1237 CB SER A 96 12.972 6.773 1.872 1.00 0.00 C ATOM 1238 OG SER A 96 13.897 5.944 2.555 1.00 0.00 O ATOM 0 H SER A 96 10.831 6.048 2.847 1.00 0.00 H new ATOM 0 HA SER A 96 12.793 7.820 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.282 6.156 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.502 7.406 1.161 1.00 0.00 H new ATOM 0 HG SER A 96 13.423 5.184 2.952 1.00 0.00 H new ATOM 1244 N THR A 97 10.884 9.010 1.329 1.00 0.00 N ATOM 1245 CA THR A 97 10.487 10.239 0.650 1.00 0.00 C ATOM 1246 C THR A 97 10.245 11.356 1.660 1.00 0.00 C ATOM 1247 O THR A 97 9.413 11.225 2.558 1.00 0.00 O ATOM 1248 CB THR A 97 9.229 10.008 -0.192 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.440 8.965 0.353 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.525 9.656 -1.635 1.00 0.00 C ATOM 0 H THR A 97 10.341 8.188 1.066 1.00 0.00 H new ATOM 0 HA THR A 97 11.299 10.538 -0.013 1.00 0.00 H new ATOM 0 HB THR A 97 8.695 10.958 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.309 9.121 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.589 9.506 -2.172 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.084 10.468 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.115 8.740 -1.672 1.00 0.00 H new ATOM 1258 N LYS A 98 10.986 12.450 1.514 1.00 0.00 N ATOM 1259 CA LYS A 98 10.861 13.587 2.419 1.00 0.00 C ATOM 1260 C LYS A 98 10.081 14.725 1.769 1.00 0.00 C ATOM 1261 O LYS A 98 9.514 14.563 0.688 1.00 0.00 O ATOM 1262 CB LYS A 98 12.246 14.077 2.843 1.00 0.00 C ATOM 1263 CG LYS A 98 13.057 14.659 1.700 1.00 0.00 C ATOM 1264 CD LYS A 98 14.142 13.698 1.239 1.00 0.00 C ATOM 1265 CE LYS A 98 14.906 14.250 0.047 1.00 0.00 C ATOM 1266 NZ LYS A 98 16.362 13.952 0.132 1.00 0.00 N ATOM 0 H LYS A 98 11.680 12.573 0.777 1.00 0.00 H new ATOM 0 HA LYS A 98 10.311 13.258 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.133 14.833 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.798 13.247 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.396 14.891 0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.512 15.598 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.834 13.508 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.693 12.741 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.502 13.824 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.759 15.329 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.846 14.346 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.754 14.380 0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 16.505 12.922 0.160 1.00 0.00 H new ATOM 1280 N MET A 99 10.058 15.879 2.436 1.00 0.00 N ATOM 1281 CA MET A 99 9.349 17.050 1.927 1.00 0.00 C ATOM 1282 C MET A 99 9.654 17.274 0.447 1.00 0.00 C ATOM 1283 O MET A 99 10.804 17.166 0.021 1.00 0.00 O ATOM 1284 CB MET A 99 9.735 18.293 2.731 1.00 0.00 C ATOM 1285 CG MET A 99 9.397 18.190 4.210 1.00 0.00 C ATOM 1286 SD MET A 99 7.667 18.568 4.555 1.00 0.00 S ATOM 1287 CE MET A 99 7.013 16.926 4.838 1.00 0.00 C ATOM 0 H MET A 99 10.524 16.027 3.331 1.00 0.00 H new ATOM 0 HA MET A 99 8.279 16.870 2.035 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.805 18.468 2.623 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.226 19.160 2.310 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.622 17.183 4.561 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.033 18.873 4.773 1.00 0.00 H new ATOM 0 HE1 MET A 99 6.080 16.997 5.396 1.00 0.00 H new ATOM 0 HE2 MET A 99 6.827 16.439 3.881 1.00 0.00 H new ATOM 0 HE3 MET A 99 7.734 16.341 5.409 1.00 0.00 H new ATOM 1297 N GLU A 100 8.620 17.572 -0.331 1.00 0.00 N ATOM 1298 CA GLU A 100 8.786 17.795 -1.763 1.00 0.00 C ATOM 1299 C GLU A 100 9.376 16.555 -2.426 1.00 0.00 C ATOM 1300 O GLU A 100 10.587 16.463 -2.632 1.00 0.00 O ATOM 1301 CB GLU A 100 9.685 19.010 -2.012 1.00 0.00 C ATOM 1302 CG GLU A 100 9.004 20.117 -2.800 1.00 0.00 C ATOM 1303 CD GLU A 100 9.946 20.810 -3.765 1.00 0.00 C ATOM 1304 OE1 GLU A 100 10.918 21.440 -3.297 1.00 0.00 O ATOM 1305 OE2 GLU A 100 9.713 20.723 -4.989 1.00 0.00 O ATOM 0 H GLU A 100 7.661 17.665 0.004 1.00 0.00 H new ATOM 0 HA GLU A 100 7.807 17.992 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.017 19.409 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.577 18.688 -2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.164 19.699 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.594 20.852 -2.107 1.00 0.00 H new ATOM 1312 N GLY A 101 8.511 15.603 -2.752 1.00 0.00 N ATOM 1313 CA GLY A 101 8.951 14.377 -3.379 1.00 0.00 C ATOM 1314 C GLY A 101 7.786 13.479 -3.730 1.00 0.00 C ATOM 1315 O GLY A 101 7.184 12.858 -2.856 1.00 0.00 O ATOM 0 H GLY A 101 7.506 15.662 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.514 14.612 -4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.629 13.848 -2.709 1.00 0.00 H new ATOM 1319 N THR A 102 7.459 13.425 -5.012 1.00 0.00 N ATOM 1320 CA THR A 102 6.347 12.610 -5.482 1.00 0.00 C ATOM 1321 C THR A 102 6.672 11.126 -5.383 1.00 0.00 C ATOM 1322 O THR A 102 7.536 10.615 -6.095 1.00 0.00 O ATOM 1323 CB THR A 102 5.997 12.968 -6.926 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.964 14.373 -7.103 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.660 12.416 -7.372 1.00 0.00 C ATOM 0 H THR A 102 7.948 13.936 -5.747 1.00 0.00 H new ATOM 0 HA THR A 102 5.489 12.818 -4.843 1.00 0.00 H new ATOM 0 HB THR A 102 6.780 12.514 -7.533 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.740 14.580 -8.034 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.473 12.707 -8.406 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.672 11.329 -7.297 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.871 12.815 -6.735 1.00 0.00 H new ATOM 1333 N VAL A 103 5.961 10.438 -4.496 1.00 0.00 N ATOM 1334 CA VAL A 103 6.154 9.009 -4.297 1.00 0.00 C ATOM 1335 C VAL A 103 5.160 8.226 -5.148 1.00 0.00 C ATOM 1336 O VAL A 103 3.951 8.330 -4.952 1.00 0.00 O ATOM 1337 CB VAL A 103 5.971 8.603 -2.814 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.899 7.453 -2.456 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.199 9.788 -1.884 1.00 0.00 C ATOM 0 H VAL A 103 5.243 10.851 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 103 7.176 8.776 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 103 4.941 8.270 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.756 7.182 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.674 6.594 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.934 7.758 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.063 9.471 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.213 10.165 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.484 10.577 -2.118 1.00 0.00 H new ATOM 1349 N SER A 104 5.671 7.451 -6.098 1.00 0.00 N ATOM 1350 CA SER A 104 4.813 6.669 -6.977 1.00 0.00 C ATOM 1351 C SER A 104 4.435 5.348 -6.320 1.00 0.00 C ATOM 1352 O SER A 104 5.278 4.676 -5.725 1.00 0.00 O ATOM 1353 CB SER A 104 5.514 6.406 -8.311 1.00 0.00 C ATOM 1354 OG SER A 104 6.746 5.733 -8.117 1.00 0.00 O ATOM 0 H SER A 104 6.670 7.348 -6.278 1.00 0.00 H new ATOM 0 HA SER A 104 3.904 7.240 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.867 5.809 -8.953 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.689 7.351 -8.825 1.00 0.00 H new ATOM 0 HG SER A 104 7.173 5.575 -8.985 1.00 0.00 H new ATOM 1360 N LEU A 105 3.162 4.985 -6.420 1.00 0.00 N ATOM 1361 CA LEU A 105 2.677 3.748 -5.825 1.00 0.00 C ATOM 1362 C LEU A 105 1.743 3.009 -6.773 1.00 0.00 C ATOM 1363 O LEU A 105 0.597 3.413 -6.971 1.00 0.00 O ATOM 1364 CB LEU A 105 1.946 4.036 -4.511 1.00 0.00 C ATOM 1365 CG LEU A 105 2.604 5.089 -3.617 1.00 0.00 C ATOM 1366 CD1 LEU A 105 1.551 5.968 -2.964 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.475 4.422 -2.564 1.00 0.00 C ATOM 0 H LEU A 105 2.449 5.529 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 105 3.543 3.117 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.932 4.361 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.863 3.106 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 105 3.239 5.721 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.038 6.711 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.969 6.473 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.889 5.352 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.936 5.185 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.861 3.766 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.253 3.836 -3.053 1.00 0.00 H new ATOM 1379 N LEU A 106 2.232 1.915 -7.344 1.00 0.00 N ATOM 1380 CA LEU A 106 1.426 1.113 -8.254 1.00 0.00 C ATOM 1381 C LEU A 106 0.481 0.222 -7.460 1.00 0.00 C ATOM 1382 O LEU A 106 0.915 -0.712 -6.787 1.00 0.00 O ATOM 1383 CB LEU A 106 2.321 0.259 -9.151 1.00 0.00 C ATOM 1384 CG LEU A 106 1.584 -0.542 -10.227 1.00 0.00 C ATOM 1385 CD1 LEU A 106 1.369 0.308 -11.470 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.354 -1.807 -10.571 1.00 0.00 C ATOM 0 H LEU A 106 3.178 1.565 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 106 0.841 1.782 -8.885 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.048 0.909 -9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.882 -0.434 -8.524 1.00 0.00 H new ATOM 0 HG LEU A 106 0.609 -0.830 -9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.844 -0.277 -12.225 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.775 1.185 -11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.334 0.626 -11.865 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.815 -2.364 -11.338 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.343 -1.541 -10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.457 -2.425 -9.679 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.810 0.522 -7.530 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.808 -0.248 -6.803 1.00 0.00 C ATOM 1400 C VAL A 107 -2.639 -1.113 -7.742 1.00 0.00 C ATOM 1401 O VAL A 107 -2.553 -0.983 -8.962 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.748 0.676 -6.000 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.945 1.577 -5.077 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.622 1.502 -6.935 1.00 0.00 C ATOM 0 H VAL A 107 -1.189 1.292 -8.082 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.266 -0.896 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.402 0.054 -5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.623 2.222 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.370 0.966 -4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.265 2.191 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.276 2.146 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.990 2.116 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.226 0.836 -7.551 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.451 -1.988 -7.161 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.308 -2.868 -7.939 1.00 0.00 C ATOM 1416 C PHE A 108 -5.715 -2.894 -7.354 1.00 0.00 C ATOM 1417 O PHE A 108 -5.912 -3.287 -6.203 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.726 -4.283 -7.982 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.577 -5.263 -8.738 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -4.692 -5.181 -10.117 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -5.263 -6.265 -8.071 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -5.474 -6.079 -10.816 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -6.048 -7.166 -8.765 1.00 0.00 C ATOM 1424 CZ PHE A 108 -6.154 -7.072 -10.139 1.00 0.00 C ATOM 0 H PHE A 108 -3.532 -2.106 -6.151 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.361 -2.483 -8.958 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.737 -4.246 -8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.592 -4.643 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.163 -4.405 -10.651 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.183 -6.343 -6.997 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.554 -6.005 -11.891 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.578 -7.943 -8.234 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.768 -7.774 -10.683 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.688 -2.460 -8.149 1.00 0.00 N ATOM 1435 CA ARG A 109 -8.076 -2.425 -7.704 1.00 0.00 C ATOM 1436 C ARG A 109 -8.913 -3.481 -8.420 1.00 0.00 C ATOM 1437 O ARG A 109 -8.692 -3.772 -9.595 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.674 -1.036 -7.941 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.496 -0.518 -6.772 1.00 0.00 C ATOM 1440 CD ARG A 109 -10.661 0.340 -7.243 1.00 0.00 C ATOM 1441 NE ARG A 109 -10.679 1.646 -6.589 1.00 0.00 N ATOM 1442 CZ ARG A 109 -9.900 2.665 -6.946 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -9.041 2.533 -7.949 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -9.982 3.819 -6.298 1.00 0.00 N ATOM 0 H ARG A 109 -6.541 -2.128 -9.102 1.00 0.00 H new ATOM 0 HA ARG A 109 -8.091 -2.645 -6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.867 -0.333 -8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.303 -1.068 -8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.874 -1.359 -6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.858 0.066 -6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.598 0.476 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.598 -0.179 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.326 1.786 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.975 1.647 -8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.447 3.317 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -10.641 3.925 -5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.386 4.600 -6.571 1.00 0.00 H new ATOM 1458 N GLN A 110 -9.879 -4.047 -7.703 1.00 0.00 N ATOM 1459 CA GLN A 110 -10.755 -5.066 -8.265 1.00 0.00 C ATOM 1460 C GLN A 110 -12.219 -4.717 -8.018 1.00 0.00 C ATOM 1461 O GLN A 110 -12.664 -4.638 -6.873 1.00 0.00 O ATOM 1462 CB GLN A 110 -10.433 -6.435 -7.661 1.00 0.00 C ATOM 1463 CG GLN A 110 -10.443 -7.566 -8.677 1.00 0.00 C ATOM 1464 CD GLN A 110 -11.481 -8.625 -8.359 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -12.667 -8.328 -8.221 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -11.036 -9.872 -8.244 1.00 0.00 N ATOM 0 H GLN A 110 -10.074 -3.815 -6.729 1.00 0.00 H new ATOM 0 HA GLN A 110 -10.586 -5.105 -9.341 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.452 -6.392 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -11.157 -6.656 -6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -10.638 -7.157 -9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -9.456 -8.028 -8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -10.043 -10.073 -8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.687 -10.628 -8.033 1.00 0.00 H new ATOM 1475 N GLU A 111 -12.964 -4.508 -9.099 1.00 0.00 N ATOM 1476 CA GLU A 111 -14.377 -4.165 -8.999 1.00 0.00 C ATOM 1477 C GLU A 111 -15.223 -5.069 -9.891 1.00 0.00 C ATOM 1478 O GLU A 111 -14.722 -6.031 -10.470 1.00 0.00 O ATOM 1479 CB GLU A 111 -14.595 -2.700 -9.382 1.00 0.00 C ATOM 1480 CG GLU A 111 -14.278 -2.399 -10.840 1.00 0.00 C ATOM 1481 CD GLU A 111 -13.306 -1.245 -10.999 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -12.477 -1.037 -10.088 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -13.373 -0.552 -12.036 1.00 0.00 O ATOM 0 H GLU A 111 -12.612 -4.570 -10.054 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.689 -4.314 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -15.632 -2.431 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.973 -2.070 -8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.859 -3.290 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.202 -2.166 -11.368 1.00 0.00 H new ATOM 1490 N GLU A 112 -16.509 -4.748 -10.000 1.00 0.00 N ATOM 1491 CA GLU A 112 -17.425 -5.530 -10.822 1.00 0.00 C ATOM 1492 C GLU A 112 -17.547 -4.925 -12.218 1.00 0.00 C ATOM 1493 O GLU A 112 -16.753 -4.067 -12.604 1.00 0.00 O ATOM 1494 CB GLU A 112 -18.802 -5.604 -10.157 1.00 0.00 C ATOM 1495 CG GLU A 112 -19.199 -7.010 -9.738 1.00 0.00 C ATOM 1496 CD GLU A 112 -19.644 -7.865 -10.909 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -18.867 -7.993 -11.878 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -20.768 -8.404 -10.856 1.00 0.00 O ATOM 0 H GLU A 112 -16.939 -3.952 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 112 -17.024 -6.539 -10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -18.808 -4.957 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -19.551 -5.214 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -18.354 -7.490 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -20.006 -6.953 -9.007 1.00 0.00 H new ATOM 1505 N ALA A 113 -18.545 -5.377 -12.970 1.00 0.00 N ATOM 1506 CA ALA A 113 -18.770 -4.881 -14.323 1.00 0.00 C ATOM 1507 C ALA A 113 -18.937 -3.365 -14.331 1.00 0.00 C ATOM 1508 O ALA A 113 -20.026 -2.849 -14.081 1.00 0.00 O ATOM 1509 CB ALA A 113 -19.990 -5.551 -14.935 1.00 0.00 C ATOM 0 H ALA A 113 -19.211 -6.087 -12.665 1.00 0.00 H new ATOM 0 HA ALA A 113 -17.895 -5.127 -14.924 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -20.146 -5.171 -15.945 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -19.832 -6.629 -14.973 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -20.868 -5.334 -14.326 1.00 0.00 H new TER 1515 ALA A 113