USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 950 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 104 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= 0.12 USER MOD Set 2.1: A 100 LYS NZ :NH3+ 147:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 101 ASN : amide:sc= -2.64! C(o=-1.5!,f=-12!) USER MOD Set 3.1: A 85 ASN : amide:sc= -9.13! C(o=-24!,f=-35!) USER MOD Set 3.2: A 87 ASN : amide:sc= -5.28! C(o=-24!,f=-25!) USER MOD Set 3.3: A 97 MET CE :methyl -158:sc= -9.58! (180deg=-5.82!) USER MOD Set 4.1: A 74 SER OG : rot -158:sc= 0.767 USER MOD Set 4.2: A 114 LYS NZ :NH3+ -107:sc= -0.416! (180deg=-1.01) USER MOD Set 5.1: A 29 TYR OH : rot 107:sc= -5.27! USER MOD Set 5.2: A 34 LYS NZ :NH3+ 153:sc= 1.23 (180deg=-0.626) USER MOD Set 6.1: A 30 HIS :FLIP no HD1:sc= -2.62! F(o=-5.2,f=-2.3!) USER MOD Set 6.2: A 31 LYS NZ :NH3+ -112:sc=-0.000244 (180deg=-0.0431) USER MOD Set 6.3: A 124 SER OG : rot 175:sc= 0.355 USER MOD Single : A 3 LYS NZ :NH3+ -146:sc= 1.01 (180deg=-0.427) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.1) USER MOD Single : A 11 ASN :FLIP amide:sc= -2.16 F(o=-3.4!,f=-2.2) USER MOD Single : A 12 GLN :FLIP amide:sc= -1.91 F(o=-3.3!,f=-1.9) USER MOD Single : A 14 LYS NZ :NH3+ -112:sc= -1.21! (180deg=-4.45!) USER MOD Single : A 15 SER OG : rot 94:sc= 1.19 USER MOD Single : A 20 SER OG : rot 171:sc= -3.47! USER MOD Single : A 25 ASN : amide:sc= -3.27 K(o=-3.3,f=-6.1!) USER MOD Single : A 38 THR OG1 : rot -159:sc= -5.95! USER MOD Single : A 42 ASN : amide:sc= -2.14 K(o=-2.1,f=-3.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 1.13 K(o=1.1,f=-0.11) USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 0.0445 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 59 ASN : amide:sc= -1.01 K(o=-1,f=-6.6!) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00593) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.23 K(o=-3.2,f=-7.6!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -96:sc= -7.9! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -136:sc= -0.709 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.42) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 109 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 113 ASN : amide:sc= -10.4! C(o=-10!,f=-14!) USER MOD Single : A 117 SER OG : rot -100:sc= -1.12! USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.35) USER MOD Single : A 128 HIS :FLIP no HE2:sc= -1.14 F(o=-2.3,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 32 N LYS A 3 -14.593 21.834 -1.560 1.00 0.00 N ATOM 33 CA LYS A 3 -15.277 21.051 -0.531 1.00 0.00 C ATOM 34 C LYS A 3 -15.709 19.682 -1.060 1.00 0.00 C ATOM 35 O LYS A 3 -16.431 18.948 -0.385 1.00 0.00 O ATOM 36 CB LYS A 3 -16.496 21.816 -0.007 1.00 0.00 C ATOM 37 CG LYS A 3 -16.230 22.573 1.284 1.00 0.00 C ATOM 38 CD LYS A 3 -17.315 22.314 2.316 1.00 0.00 C ATOM 39 CE LYS A 3 -17.429 20.832 2.640 1.00 0.00 C ATOM 40 NZ LYS A 3 -18.809 20.320 2.410 1.00 0.00 N ATOM 0 HA LYS A 3 -14.572 20.890 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.828 22.520 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.313 21.113 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.263 22.275 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.173 23.641 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.094 22.871 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.271 22.681 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.726 20.270 2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.148 20.665 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.027 19.583 3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.489 21.101 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.875 19.918 1.453 1.00 0.00 H new ATOM 54 N THR A 4 -15.262 19.342 -2.264 1.00 0.00 N ATOM 55 CA THR A 4 -15.600 18.063 -2.877 1.00 0.00 C ATOM 56 C THR A 4 -14.542 17.011 -2.559 1.00 0.00 C ATOM 57 O THR A 4 -14.864 15.853 -2.294 1.00 0.00 O ATOM 58 CB THR A 4 -15.736 18.223 -4.392 1.00 0.00 C ATOM 59 OG1 THR A 4 -16.791 19.113 -4.709 1.00 0.00 O ATOM 60 CG2 THR A 4 -16.003 16.919 -5.114 1.00 0.00 C ATOM 0 H THR A 4 -14.663 19.937 -2.836 1.00 0.00 H new ATOM 0 HA THR A 4 -16.553 17.730 -2.465 1.00 0.00 H new ATOM 0 HB THR A 4 -14.775 18.613 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.861 19.204 -5.682 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.088 17.107 -6.184 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.181 16.227 -4.931 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.932 16.484 -4.747 1.00 0.00 H new ATOM 68 N ASN A 5 -13.277 17.425 -2.593 1.00 0.00 N ATOM 69 CA ASN A 5 -12.157 16.527 -2.318 1.00 0.00 C ATOM 70 C ASN A 5 -12.443 15.630 -1.116 1.00 0.00 C ATOM 71 O ASN A 5 -11.986 14.491 -1.058 1.00 0.00 O ATOM 72 CB ASN A 5 -10.882 17.337 -2.074 1.00 0.00 C ATOM 73 CG ASN A 5 -9.724 16.862 -2.929 1.00 0.00 C ATOM 74 OD1 ASN A 5 -8.630 16.604 -2.427 1.00 0.00 O ATOM 75 ND2 ASN A 5 -9.960 16.746 -4.231 1.00 0.00 N ATOM 0 H ASN A 5 -13.001 18.383 -2.810 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.019 15.888 -3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.077 18.389 -2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.606 17.267 -1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.219 16.432 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.882 16.971 -4.604 1.00 0.00 H new ATOM 82 N LEU A 6 -13.206 16.153 -0.164 1.00 0.00 N ATOM 83 CA LEU A 6 -13.562 15.413 1.029 1.00 0.00 C ATOM 84 C LEU A 6 -14.648 14.396 0.725 1.00 0.00 C ATOM 85 O LEU A 6 -14.404 13.191 0.746 1.00 0.00 O ATOM 86 CB LEU A 6 -14.040 16.381 2.108 1.00 0.00 C ATOM 87 CG LEU A 6 -12.936 17.016 2.956 1.00 0.00 C ATOM 88 CD1 LEU A 6 -12.704 16.192 4.209 1.00 0.00 C ATOM 89 CD2 LEU A 6 -11.642 17.160 2.161 1.00 0.00 C ATOM 0 H LEU A 6 -13.591 17.097 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.682 14.878 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -14.611 17.177 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.724 15.851 2.771 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.260 18.016 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.917 16.652 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.624 16.150 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.405 15.182 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.877 17.614 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.305 16.177 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.818 17.792 1.291 1.00 0.00 H new ATOM 101 N GLY A 7 -15.845 14.892 0.433 1.00 0.00 N ATOM 102 CA GLY A 7 -16.956 14.015 0.120 1.00 0.00 C ATOM 103 C GLY A 7 -16.631 13.032 -0.987 1.00 0.00 C ATOM 104 O GLY A 7 -17.289 12.004 -1.123 1.00 0.00 O ATOM 0 H GLY A 7 -16.065 15.888 0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.243 13.465 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.816 14.616 -0.174 1.00 0.00 H new ATOM 108 N GLU A 8 -15.618 13.343 -1.786 1.00 0.00 N ATOM 109 CA GLU A 8 -15.229 12.466 -2.880 1.00 0.00 C ATOM 110 C GLU A 8 -14.099 11.527 -2.466 1.00 0.00 C ATOM 111 O GLU A 8 -13.898 10.482 -3.084 1.00 0.00 O ATOM 112 CB GLU A 8 -14.803 13.286 -4.100 1.00 0.00 C ATOM 113 CG GLU A 8 -13.516 14.069 -3.891 1.00 0.00 C ATOM 114 CD GLU A 8 -12.407 13.631 -4.828 1.00 0.00 C ATOM 115 OE1 GLU A 8 -12.115 12.418 -4.876 1.00 0.00 O ATOM 116 OE2 GLU A 8 -11.829 14.502 -5.512 1.00 0.00 O ATOM 0 H GLU A 8 -15.056 14.189 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.097 11.861 -3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.676 12.616 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.603 13.980 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.713 15.131 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.184 13.947 -2.860 1.00 0.00 H new ATOM 123 N LEU A 9 -13.366 11.891 -1.414 1.00 0.00 N ATOM 124 CA LEU A 9 -12.272 11.058 -0.938 1.00 0.00 C ATOM 125 C LEU A 9 -12.715 10.240 0.264 1.00 0.00 C ATOM 126 O LEU A 9 -12.149 9.187 0.557 1.00 0.00 O ATOM 127 CB LEU A 9 -11.057 11.911 -0.567 1.00 0.00 C ATOM 128 CG LEU A 9 -10.268 12.474 -1.751 1.00 0.00 C ATOM 129 CD1 LEU A 9 -9.190 13.432 -1.267 1.00 0.00 C ATOM 130 CD2 LEU A 9 -9.654 11.345 -2.569 1.00 0.00 C ATOM 0 H LEU A 9 -13.511 12.749 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.987 10.382 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.393 12.742 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.384 11.309 0.044 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.956 13.027 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.639 13.822 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.653 14.257 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.504 12.904 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.097 11.764 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.980 10.764 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.445 10.698 -2.947 1.00 0.00 H new ATOM 142 N ILE A 10 -13.730 10.736 0.962 1.00 0.00 N ATOM 143 CA ILE A 10 -14.243 10.055 2.134 1.00 0.00 C ATOM 144 C ILE A 10 -15.339 9.062 1.766 1.00 0.00 C ATOM 145 O ILE A 10 -15.454 8.001 2.381 1.00 0.00 O ATOM 146 CB ILE A 10 -14.768 11.051 3.188 1.00 0.00 C ATOM 147 CG1 ILE A 10 -16.049 11.771 2.723 1.00 0.00 C ATOM 148 CG2 ILE A 10 -13.705 12.065 3.524 1.00 0.00 C ATOM 149 CD1 ILE A 10 -16.425 12.980 3.580 1.00 0.00 C ATOM 0 H ILE A 10 -14.210 11.606 0.733 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.408 9.506 2.568 1.00 0.00 H new ATOM 0 HB ILE A 10 -15.019 10.474 4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.917 12.096 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -16.876 11.061 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.089 12.762 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.828 11.555 3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.428 12.613 2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -17.336 13.433 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.590 12.660 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.617 13.711 3.553 1.00 0.00 H new ATOM 161 N ASN A 11 -16.139 9.397 0.753 1.00 0.00 N ATOM 162 CA ASN A 11 -17.215 8.514 0.305 1.00 0.00 C ATOM 163 C ASN A 11 -16.697 7.089 0.152 1.00 0.00 C ATOM 164 O ASN A 11 -17.427 6.118 0.358 1.00 0.00 O ATOM 165 CB ASN A 11 -17.787 9.001 -1.027 1.00 0.00 C ATOM 166 CG ASN A 11 -18.998 9.894 -0.849 1.00 0.00 C ATOM 167 OD1 ASN A 11 -18.958 10.748 0.167 1.00 0.00 O flip ATOM 168 ND2 ASN A 11 -19.957 9.819 -1.615 1.00 0.00 N flip ATOM 0 H ASN A 11 -16.063 10.269 0.230 1.00 0.00 H new ATOM 0 HA ASN A 11 -18.006 8.528 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -17.016 9.545 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -18.061 8.140 -1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -19.945 9.148 -2.383 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -20.764 10.428 -1.483 1.00 0.00 H new ATOM 175 N GLN A 12 -15.424 6.982 -0.205 1.00 0.00 N ATOM 176 CA GLN A 12 -14.775 5.693 -0.386 1.00 0.00 C ATOM 177 C GLN A 12 -14.027 5.290 0.879 1.00 0.00 C ATOM 178 O GLN A 12 -13.911 4.108 1.198 1.00 0.00 O ATOM 179 CB GLN A 12 -13.796 5.762 -1.558 1.00 0.00 C ATOM 180 CG GLN A 12 -12.606 6.668 -1.284 1.00 0.00 C ATOM 181 CD GLN A 12 -11.783 6.960 -2.520 1.00 0.00 C ATOM 182 OE1 GLN A 12 -11.031 8.053 -2.478 1.00 0.00 O flip ATOM 183 NE2 GLN A 12 -11.823 6.215 -3.500 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.816 7.783 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.541 4.947 -0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.437 4.758 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.322 6.120 -2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.962 7.608 -0.862 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.969 6.203 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.416 5.385 -3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.263 6.428 -4.325 1.00 0.00 H new ATOM 192 N GLY A 13 -13.512 6.289 1.589 1.00 0.00 N ATOM 193 CA GLY A 13 -12.769 6.031 2.805 1.00 0.00 C ATOM 194 C GLY A 13 -13.559 5.223 3.816 1.00 0.00 C ATOM 195 O GLY A 13 -13.206 4.081 4.113 1.00 0.00 O ATOM 0 H GLY A 13 -13.597 7.275 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.851 5.498 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.476 6.980 3.254 1.00 0.00 H new ATOM 199 N LYS A 14 -14.628 5.809 4.345 1.00 0.00 N ATOM 200 CA LYS A 14 -15.456 5.114 5.327 1.00 0.00 C ATOM 201 C LYS A 14 -16.099 3.879 4.702 1.00 0.00 C ATOM 202 O LYS A 14 -16.523 2.964 5.409 1.00 0.00 O ATOM 203 CB LYS A 14 -16.536 6.034 5.933 1.00 0.00 C ATOM 204 CG LYS A 14 -16.966 7.204 5.051 1.00 0.00 C ATOM 205 CD LYS A 14 -16.472 8.537 5.606 1.00 0.00 C ATOM 206 CE LYS A 14 -16.891 9.702 4.721 1.00 0.00 C ATOM 207 NZ LYS A 14 -18.357 9.964 4.793 1.00 0.00 N ATOM 0 H LYS A 14 -14.940 6.752 4.115 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.801 4.803 6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -17.415 5.432 6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.164 6.430 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.577 7.062 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.053 7.222 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.868 8.682 6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.386 8.516 5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.348 10.598 5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.611 9.491 3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.797 9.728 3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.778 9.378 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.520 10.969 5.006 1.00 0.00 H new ATOM 221 N SER A 15 -16.145 3.846 3.372 1.00 0.00 N ATOM 222 CA SER A 15 -16.708 2.709 2.656 1.00 0.00 C ATOM 223 C SER A 15 -15.678 1.588 2.569 1.00 0.00 C ATOM 224 O SER A 15 -16.022 0.407 2.576 1.00 0.00 O ATOM 225 CB SER A 15 -17.149 3.126 1.252 1.00 0.00 C ATOM 226 OG SER A 15 -18.282 3.974 1.303 1.00 0.00 O ATOM 0 H SER A 15 -15.799 4.594 2.771 1.00 0.00 H new ATOM 0 HA SER A 15 -17.581 2.350 3.202 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.330 3.639 0.748 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.381 2.239 0.662 1.00 0.00 H new ATOM 0 HG SER A 15 -17.991 4.910 1.294 1.00 0.00 H new ATOM 232 N LEU A 16 -14.406 1.975 2.508 1.00 0.00 N ATOM 233 CA LEU A 16 -13.309 1.023 2.444 1.00 0.00 C ATOM 234 C LEU A 16 -13.109 0.386 3.812 1.00 0.00 C ATOM 235 O LEU A 16 -13.378 -0.795 4.010 1.00 0.00 O ATOM 236 CB LEU A 16 -12.017 1.732 2.024 1.00 0.00 C ATOM 237 CG LEU A 16 -11.616 1.600 0.557 1.00 0.00 C ATOM 238 CD1 LEU A 16 -10.735 2.778 0.146 1.00 0.00 C ATOM 239 CD2 LEU A 16 -10.890 0.280 0.325 1.00 0.00 C ATOM 0 H LEU A 16 -14.112 2.952 2.502 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.551 0.255 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.118 2.792 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.202 1.348 2.637 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.516 1.609 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.454 2.674 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.285 3.709 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.836 2.793 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.610 0.199 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.993 0.244 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.547 -0.548 0.590 1.00 0.00 H new ATOM 251 N LEU A 17 -12.636 1.200 4.753 1.00 0.00 N ATOM 252 CA LEU A 17 -12.385 0.765 6.119 1.00 0.00 C ATOM 253 C LEU A 17 -13.569 -0.014 6.695 1.00 0.00 C ATOM 254 O LEU A 17 -13.396 -0.856 7.576 1.00 0.00 O ATOM 255 CB LEU A 17 -12.089 1.991 6.986 1.00 0.00 C ATOM 256 CG LEU A 17 -10.998 1.801 8.041 1.00 0.00 C ATOM 257 CD1 LEU A 17 -9.736 2.580 7.671 1.00 0.00 C ATOM 258 CD2 LEU A 17 -11.515 2.223 9.410 1.00 0.00 C ATOM 0 H LEU A 17 -12.416 2.182 4.586 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.527 0.092 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.800 2.815 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.009 2.290 7.489 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.734 0.744 8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.976 2.428 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.359 2.227 6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.972 3.642 7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.731 2.084 10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.806 3.273 9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.379 1.614 9.676 1.00 0.00 H new ATOM 270 N ASP A 18 -14.770 0.275 6.201 1.00 0.00 N ATOM 271 CA ASP A 18 -15.975 -0.399 6.682 1.00 0.00 C ATOM 272 C ASP A 18 -16.387 -1.557 5.770 1.00 0.00 C ATOM 273 O ASP A 18 -17.348 -2.269 6.059 1.00 0.00 O ATOM 274 CB ASP A 18 -17.126 0.602 6.798 1.00 0.00 C ATOM 275 CG ASP A 18 -18.316 0.031 7.544 1.00 0.00 C ATOM 276 OD1 ASP A 18 -18.159 -0.322 8.731 1.00 0.00 O ATOM 277 OD2 ASP A 18 -19.405 -0.063 6.940 1.00 0.00 O ATOM 0 H ASP A 18 -14.936 0.968 5.471 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.747 -0.814 7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -16.775 1.497 7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.439 0.908 5.800 1.00 0.00 H new ATOM 282 N GLU A 19 -15.645 -1.759 4.686 1.00 0.00 N ATOM 283 CA GLU A 19 -15.919 -2.843 3.760 1.00 0.00 C ATOM 284 C GLU A 19 -14.855 -3.899 3.940 1.00 0.00 C ATOM 285 O GLU A 19 -15.121 -5.101 3.917 1.00 0.00 O ATOM 286 CB GLU A 19 -15.933 -2.337 2.314 1.00 0.00 C ATOM 287 CG GLU A 19 -16.091 -3.441 1.281 1.00 0.00 C ATOM 288 CD GLU A 19 -16.294 -2.902 -0.122 1.00 0.00 C ATOM 289 OE1 GLU A 19 -15.341 -2.316 -0.676 1.00 0.00 O ATOM 290 OE2 GLU A 19 -17.407 -3.067 -0.664 1.00 0.00 O ATOM 0 H GLU A 19 -14.845 -1.180 4.430 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.903 -3.263 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.748 -1.622 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.006 -1.798 2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.207 -4.078 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.940 -4.068 1.552 1.00 0.00 H new ATOM 297 N SER A 20 -13.640 -3.412 4.137 1.00 0.00 N ATOM 298 CA SER A 20 -12.498 -4.251 4.345 1.00 0.00 C ATOM 299 C SER A 20 -12.579 -4.906 5.700 1.00 0.00 C ATOM 300 O SER A 20 -13.502 -4.670 6.481 1.00 0.00 O ATOM 301 CB SER A 20 -11.224 -3.422 4.260 1.00 0.00 C ATOM 302 OG SER A 20 -11.522 -2.048 4.413 1.00 0.00 O ATOM 0 H SER A 20 -13.430 -2.414 4.155 1.00 0.00 H new ATOM 0 HA SER A 20 -12.482 -5.020 3.573 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.524 -3.738 5.034 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.736 -3.591 3.300 1.00 0.00 H new ATOM 0 HG SER A 20 -10.689 -1.541 4.508 1.00 0.00 H new ATOM 308 N VAL A 21 -11.602 -5.724 5.955 1.00 0.00 N ATOM 309 CA VAL A 21 -11.511 -6.446 7.206 1.00 0.00 C ATOM 310 C VAL A 21 -10.083 -6.867 7.497 1.00 0.00 C ATOM 311 O VAL A 21 -9.418 -7.450 6.648 1.00 0.00 O ATOM 312 CB VAL A 21 -12.409 -7.689 7.170 1.00 0.00 C ATOM 313 CG1 VAL A 21 -12.151 -8.493 5.907 1.00 0.00 C ATOM 314 CG2 VAL A 21 -12.223 -8.543 8.416 1.00 0.00 C ATOM 0 H VAL A 21 -10.840 -5.916 5.305 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.845 -5.776 7.998 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.447 -7.358 7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.796 -9.372 5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.364 -7.877 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.108 -8.808 5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.873 -9.416 8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.185 -8.868 8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.477 -7.958 9.300 1.00 0.00 H new ATOM 324 N GLU A 22 -9.617 -6.594 8.702 1.00 0.00 N ATOM 325 CA GLU A 22 -8.269 -6.986 9.077 1.00 0.00 C ATOM 326 C GLU A 22 -8.238 -8.479 9.398 1.00 0.00 C ATOM 327 O GLU A 22 -8.775 -8.914 10.417 1.00 0.00 O ATOM 328 CB GLU A 22 -7.800 -6.192 10.297 1.00 0.00 C ATOM 329 CG GLU A 22 -8.748 -6.279 11.482 1.00 0.00 C ATOM 330 CD GLU A 22 -8.170 -7.075 12.635 1.00 0.00 C ATOM 331 OE1 GLU A 22 -7.280 -6.546 13.335 1.00 0.00 O ATOM 332 OE2 GLU A 22 -8.606 -8.228 12.839 1.00 0.00 O ATOM 0 H GLU A 22 -10.143 -6.109 9.429 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.600 -6.776 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.818 -6.555 10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.680 -5.146 10.015 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.988 -5.273 11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.683 -6.738 11.161 1.00 0.00 H new ATOM 339 N GLY A 23 -7.608 -9.262 8.524 1.00 0.00 N ATOM 340 CA GLY A 23 -7.524 -10.694 8.736 1.00 0.00 C ATOM 341 C GLY A 23 -6.101 -11.209 8.652 1.00 0.00 C ATOM 342 O GLY A 23 -5.370 -11.197 9.643 1.00 0.00 O ATOM 0 H GLY A 23 -7.155 -8.928 7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.939 -10.939 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.137 -11.205 7.993 1.00 0.00 H new ATOM 346 N PHE A 24 -5.703 -11.662 7.464 1.00 0.00 N ATOM 347 CA PHE A 24 -4.354 -12.184 7.257 1.00 0.00 C ATOM 348 C PHE A 24 -4.216 -12.823 5.878 1.00 0.00 C ATOM 349 O PHE A 24 -3.583 -13.869 5.730 1.00 0.00 O ATOM 350 CB PHE A 24 -4.002 -13.210 8.338 1.00 0.00 C ATOM 351 CG PHE A 24 -5.121 -14.166 8.649 1.00 0.00 C ATOM 352 CD1 PHE A 24 -5.441 -15.188 7.771 1.00 0.00 C ATOM 353 CD2 PHE A 24 -5.849 -14.040 9.821 1.00 0.00 C ATOM 354 CE1 PHE A 24 -6.470 -16.067 8.055 1.00 0.00 C ATOM 355 CE2 PHE A 24 -6.879 -14.916 10.110 1.00 0.00 C ATOM 356 CZ PHE A 24 -7.189 -15.930 9.226 1.00 0.00 C ATOM 0 H PHE A 24 -6.294 -11.678 6.633 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.662 -11.344 7.321 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.129 -13.778 8.017 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.722 -12.683 9.250 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.881 -15.300 6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.609 -13.249 10.516 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.711 -16.860 7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.440 -14.807 11.026 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.993 -16.615 9.450 1.00 0.00 H new ATOM 366 N ASN A 25 -4.805 -12.190 4.868 1.00 0.00 N ATOM 367 CA ASN A 25 -4.734 -12.710 3.504 1.00 0.00 C ATOM 368 C ASN A 25 -5.366 -11.742 2.510 1.00 0.00 C ATOM 369 O ASN A 25 -6.018 -10.774 2.902 1.00 0.00 O ATOM 370 CB ASN A 25 -5.428 -14.071 3.420 1.00 0.00 C ATOM 371 CG ASN A 25 -6.904 -13.990 3.758 1.00 0.00 C ATOM 372 OD1 ASN A 25 -7.671 -13.304 3.083 1.00 0.00 O ATOM 373 ND2 ASN A 25 -7.308 -14.693 4.810 1.00 0.00 N ATOM 0 H ASN A 25 -5.333 -11.323 4.965 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.682 -12.826 3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.310 -14.474 2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.940 -14.767 4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.290 -14.678 5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.637 -15.248 5.341 1.00 0.00 H new ATOM 380 N VAL A 26 -5.168 -12.009 1.218 1.00 0.00 N ATOM 381 CA VAL A 26 -5.721 -11.158 0.167 1.00 0.00 C ATOM 382 C VAL A 26 -7.196 -10.866 0.426 1.00 0.00 C ATOM 383 O VAL A 26 -8.030 -11.771 0.425 1.00 0.00 O ATOM 384 CB VAL A 26 -5.558 -11.797 -1.227 1.00 0.00 C ATOM 385 CG1 VAL A 26 -6.395 -13.064 -1.347 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.922 -10.801 -2.320 1.00 0.00 C ATOM 0 H VAL A 26 -4.630 -12.806 0.877 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.161 -10.223 0.184 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.511 -12.074 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.262 -13.495 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.076 -13.784 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.447 -12.821 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.800 -11.271 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.958 -10.487 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.268 -9.931 -2.252 1.00 0.00 H new ATOM 396 N GLY A 27 -7.502 -9.599 0.670 1.00 0.00 N ATOM 397 CA GLY A 27 -8.869 -9.206 0.955 1.00 0.00 C ATOM 398 C GLY A 27 -9.021 -8.712 2.380 1.00 0.00 C ATOM 399 O GLY A 27 -9.919 -7.926 2.683 1.00 0.00 O ATOM 0 H GLY A 27 -6.827 -8.834 0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.175 -8.422 0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.534 -10.054 0.790 1.00 0.00 H new ATOM 403 N GLU A 28 -8.124 -9.166 3.252 1.00 0.00 N ATOM 404 CA GLU A 28 -8.133 -8.770 4.646 1.00 0.00 C ATOM 405 C GLU A 28 -6.740 -8.331 5.064 1.00 0.00 C ATOM 406 O GLU A 28 -5.757 -8.993 4.749 1.00 0.00 O ATOM 407 CB GLU A 28 -8.614 -9.924 5.529 1.00 0.00 C ATOM 408 CG GLU A 28 -9.839 -10.641 4.983 1.00 0.00 C ATOM 409 CD GLU A 28 -9.565 -12.096 4.653 1.00 0.00 C ATOM 410 OE1 GLU A 28 -8.927 -12.782 5.477 1.00 0.00 O ATOM 411 OE2 GLU A 28 -9.992 -12.548 3.570 1.00 0.00 O ATOM 0 H GLU A 28 -7.376 -9.815 3.008 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.822 -7.935 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.804 -10.644 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.842 -9.539 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.645 -10.584 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.186 -10.128 4.086 1.00 0.00 H new ATOM 418 N TYR A 29 -6.658 -7.206 5.755 1.00 0.00 N ATOM 419 CA TYR A 29 -5.367 -6.681 6.189 1.00 0.00 C ATOM 420 C TYR A 29 -5.046 -7.107 7.617 1.00 0.00 C ATOM 421 O TYR A 29 -5.848 -7.760 8.268 1.00 0.00 O ATOM 422 CB TYR A 29 -5.360 -5.157 6.068 1.00 0.00 C ATOM 423 CG TYR A 29 -6.354 -4.468 6.969 1.00 0.00 C ATOM 424 CD1 TYR A 29 -7.700 -4.368 6.617 1.00 0.00 C ATOM 425 CD2 TYR A 29 -5.945 -3.911 8.173 1.00 0.00 C ATOM 426 CE1 TYR A 29 -8.602 -3.735 7.440 1.00 0.00 C ATOM 427 CE2 TYR A 29 -6.847 -3.275 9.002 1.00 0.00 C ATOM 428 CZ TYR A 29 -8.174 -3.190 8.630 1.00 0.00 C ATOM 429 OH TYR A 29 -9.078 -2.563 9.450 1.00 0.00 O ATOM 0 H TYR A 29 -7.462 -6.640 6.028 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.594 -7.094 5.542 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.360 -4.789 6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.571 -4.883 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.039 -4.794 5.684 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.907 -3.976 8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.641 -3.666 7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.517 -2.846 9.937 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.258 -3.127 10.231 1.00 0.00 H new ATOM 439 N HIS A 30 -3.865 -6.745 8.106 1.00 0.00 N ATOM 440 CA HIS A 30 -3.483 -7.115 9.466 1.00 0.00 C ATOM 441 C HIS A 30 -3.206 -5.881 10.312 1.00 0.00 C ATOM 442 O HIS A 30 -2.055 -5.529 10.566 1.00 0.00 O ATOM 443 CB HIS A 30 -2.266 -8.037 9.460 1.00 0.00 C ATOM 444 CG HIS A 30 -2.479 -9.309 10.219 1.00 0.00 C ATOM 445 ND1 HIS A 30 -2.515 -10.596 9.802 1.00 0.00 N flip ATOM 446 CD2 HIS A 30 -2.688 -9.345 11.582 1.00 0.00 C flip ATOM 447 CE1 HIS A 30 -2.742 -11.378 10.908 1.00 0.00 C flip ATOM 448 NE2 HIS A 30 -2.843 -10.599 11.970 1.00 0.00 N flip ATOM 0 H HIS A 30 -3.167 -6.206 7.594 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.321 -7.653 9.909 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.007 -8.277 8.429 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.415 -7.506 9.887 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.720 -8.483 12.231 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.825 -12.455 10.909 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -3.012 -10.912 12.926 1.00 0.00 H new ATOM 457 N LYS A 31 -4.275 -5.228 10.746 1.00 0.00 N ATOM 458 CA LYS A 31 -4.160 -4.031 11.568 1.00 0.00 C ATOM 459 C LYS A 31 -3.366 -2.952 10.843 1.00 0.00 C ATOM 460 O LYS A 31 -2.662 -3.232 9.872 1.00 0.00 O ATOM 461 CB LYS A 31 -3.490 -4.365 12.902 1.00 0.00 C ATOM 462 CG LYS A 31 -4.330 -5.259 13.798 1.00 0.00 C ATOM 463 CD LYS A 31 -4.187 -6.723 13.417 1.00 0.00 C ATOM 464 CE LYS A 31 -4.884 -7.631 14.418 1.00 0.00 C ATOM 465 NZ LYS A 31 -5.396 -8.873 13.778 1.00 0.00 N ATOM 0 H LYS A 31 -5.234 -5.508 10.542 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.164 -3.653 11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.536 -4.854 12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.271 -3.438 13.431 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.029 -5.121 14.836 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.377 -4.965 13.728 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.607 -6.884 12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.130 -6.984 13.362 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.189 -7.894 15.215 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.712 -7.093 14.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.436 -8.861 13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.051 -8.926 12.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.059 -9.701 14.309 1.00 0.00 H new ATOM 479 N GLY A 32 -3.485 -1.719 11.318 1.00 0.00 N ATOM 480 CA GLY A 32 -2.773 -0.620 10.699 1.00 0.00 C ATOM 481 C GLY A 32 -3.609 0.105 9.665 1.00 0.00 C ATOM 482 O GLY A 32 -3.436 1.304 9.450 1.00 0.00 O ATOM 0 H GLY A 32 -4.061 -1.461 12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.461 0.086 11.469 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.866 -0.999 10.227 1.00 0.00 H new ATOM 486 N ALA A 33 -4.523 -0.619 9.021 1.00 0.00 N ATOM 487 CA ALA A 33 -5.382 -0.023 8.010 1.00 0.00 C ATOM 488 C ALA A 33 -6.550 0.718 8.658 1.00 0.00 C ATOM 489 O ALA A 33 -6.746 1.912 8.427 1.00 0.00 O ATOM 490 CB ALA A 33 -5.873 -1.095 7.050 1.00 0.00 C ATOM 0 H ALA A 33 -4.684 -1.613 9.183 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.805 0.708 7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.516 -0.641 6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.019 -1.566 6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.437 -1.847 7.602 1.00 0.00 H new ATOM 496 N LYS A 34 -7.319 0.004 9.478 1.00 0.00 N ATOM 497 CA LYS A 34 -8.471 0.581 10.180 1.00 0.00 C ATOM 498 C LYS A 34 -8.172 1.957 10.796 1.00 0.00 C ATOM 499 O LYS A 34 -9.095 2.687 11.150 1.00 0.00 O ATOM 500 CB LYS A 34 -8.926 -0.367 11.294 1.00 0.00 C ATOM 501 CG LYS A 34 -10.397 -0.229 11.657 1.00 0.00 C ATOM 502 CD LYS A 34 -11.235 -1.344 11.049 1.00 0.00 C ATOM 503 CE LYS A 34 -11.400 -1.172 9.547 1.00 0.00 C ATOM 504 NZ LYS A 34 -11.808 -2.441 8.884 1.00 0.00 N ATOM 0 H LYS A 34 -7.165 -0.985 9.676 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.255 0.715 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.733 -1.394 10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.323 -0.183 12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.507 -0.242 12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.768 0.735 11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.765 -2.306 11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.216 -1.361 11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.147 -0.403 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.461 -0.823 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.337 -2.224 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.961 -2.995 8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.411 -2.991 9.528 1.00 0.00 H new ATOM 518 N ASP A 35 -6.897 2.304 10.959 1.00 0.00 N ATOM 519 CA ASP A 35 -6.542 3.587 11.566 1.00 0.00 C ATOM 520 C ASP A 35 -6.307 4.679 10.522 1.00 0.00 C ATOM 521 O ASP A 35 -7.099 5.605 10.408 1.00 0.00 O ATOM 522 CB ASP A 35 -5.296 3.427 12.432 1.00 0.00 C ATOM 523 CG ASP A 35 -4.949 4.694 13.189 1.00 0.00 C ATOM 524 OD1 ASP A 35 -5.756 5.114 14.045 1.00 0.00 O ATOM 525 OD2 ASP A 35 -3.870 5.266 12.926 1.00 0.00 O ATOM 0 H ASP A 35 -6.103 1.726 10.684 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.386 3.898 12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.453 2.615 13.142 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.454 3.142 11.802 1.00 0.00 H new ATOM 530 N GLY A 36 -5.213 4.570 9.774 1.00 0.00 N ATOM 531 CA GLY A 36 -4.880 5.560 8.759 1.00 0.00 C ATOM 532 C GLY A 36 -6.066 5.971 7.911 1.00 0.00 C ATOM 533 O GLY A 36 -6.591 7.074 8.064 1.00 0.00 O ATOM 0 H GLY A 36 -4.543 3.805 9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.466 6.443 9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.101 5.158 8.111 1.00 0.00 H new ATOM 537 N LEU A 37 -6.489 5.087 7.009 1.00 0.00 N ATOM 538 CA LEU A 37 -7.617 5.369 6.130 1.00 0.00 C ATOM 539 C LEU A 37 -8.795 5.969 6.898 1.00 0.00 C ATOM 540 O LEU A 37 -9.628 6.653 6.316 1.00 0.00 O ATOM 541 CB LEU A 37 -8.051 4.099 5.401 1.00 0.00 C ATOM 542 CG LEU A 37 -9.506 4.087 4.940 1.00 0.00 C ATOM 543 CD1 LEU A 37 -9.792 5.285 4.055 1.00 0.00 C ATOM 544 CD2 LEU A 37 -9.824 2.802 4.205 1.00 0.00 C ATOM 0 H LEU A 37 -6.066 4.170 6.869 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.290 6.107 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.409 3.959 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.887 3.246 6.059 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.144 4.146 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.834 5.261 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.605 6.202 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.143 5.254 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.866 2.814 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.177 2.713 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.658 1.953 4.868 1.00 0.00 H new ATOM 556 N THR A 38 -8.866 5.717 8.199 1.00 0.00 N ATOM 557 CA THR A 38 -9.946 6.263 9.009 1.00 0.00 C ATOM 558 C THR A 38 -9.495 7.571 9.645 1.00 0.00 C ATOM 559 O THR A 38 -10.273 8.512 9.778 1.00 0.00 O ATOM 560 CB THR A 38 -10.395 5.242 10.060 1.00 0.00 C ATOM 561 OG1 THR A 38 -11.734 4.847 9.817 1.00 0.00 O ATOM 562 CG2 THR A 38 -10.326 5.720 11.496 1.00 0.00 C ATOM 0 H THR A 38 -8.196 5.144 8.711 1.00 0.00 H new ATOM 0 HA THR A 38 -10.808 6.474 8.376 1.00 0.00 H new ATOM 0 HB THR A 38 -9.686 4.421 9.954 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.120 4.477 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.664 4.925 12.161 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.298 5.986 11.742 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.966 6.594 11.620 1.00 0.00 H new ATOM 570 N VAL A 39 -8.221 7.626 10.010 1.00 0.00 N ATOM 571 CA VAL A 39 -7.639 8.819 10.603 1.00 0.00 C ATOM 572 C VAL A 39 -7.872 9.996 9.672 1.00 0.00 C ATOM 573 O VAL A 39 -8.129 11.119 10.108 1.00 0.00 O ATOM 574 CB VAL A 39 -6.132 8.613 10.861 1.00 0.00 C ATOM 575 CG1 VAL A 39 -5.407 9.928 11.102 1.00 0.00 C ATOM 576 CG2 VAL A 39 -5.945 7.672 12.038 1.00 0.00 C ATOM 0 H VAL A 39 -7.567 6.850 9.904 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.115 9.020 11.563 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.692 8.171 9.967 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.349 9.733 11.279 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.517 10.569 10.228 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.835 10.425 11.973 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.881 7.526 12.221 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.410 8.102 12.925 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.410 6.712 11.814 1.00 0.00 H new ATOM 586 N GLU A 40 -7.830 9.702 8.381 1.00 0.00 N ATOM 587 CA GLU A 40 -8.088 10.697 7.363 1.00 0.00 C ATOM 588 C GLU A 40 -9.576 11.017 7.367 1.00 0.00 C ATOM 589 O GLU A 40 -9.977 12.144 7.109 1.00 0.00 O ATOM 590 CB GLU A 40 -7.670 10.163 5.996 1.00 0.00 C ATOM 591 CG GLU A 40 -8.238 8.785 5.709 1.00 0.00 C ATOM 592 CD GLU A 40 -8.586 8.579 4.245 1.00 0.00 C ATOM 593 OE1 GLU A 40 -7.675 8.666 3.395 1.00 0.00 O ATOM 594 OE2 GLU A 40 -9.773 8.330 3.949 1.00 0.00 O ATOM 0 H GLU A 40 -7.617 8.773 8.016 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.514 11.600 7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.000 10.856 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.582 10.122 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.514 8.029 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.132 8.633 6.314 1.00 0.00 H new ATOM 601 N ILE A 41 -10.383 9.999 7.687 1.00 0.00 N ATOM 602 CA ILE A 41 -11.833 10.135 7.757 1.00 0.00 C ATOM 603 C ILE A 41 -12.231 10.932 8.987 1.00 0.00 C ATOM 604 O ILE A 41 -12.817 12.007 8.872 1.00 0.00 O ATOM 605 CB ILE A 41 -12.521 8.760 7.803 1.00 0.00 C ATOM 606 CG1 ILE A 41 -12.056 7.908 6.625 1.00 0.00 C ATOM 607 CG2 ILE A 41 -14.037 8.915 7.800 1.00 0.00 C ATOM 608 CD1 ILE A 41 -12.685 8.291 5.305 1.00 0.00 C ATOM 0 H ILE A 41 -10.045 9.061 7.903 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.157 10.660 6.858 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.241 8.256 8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.973 7.988 6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.282 6.862 6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.503 7.930 7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.345 9.492 8.672 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.348 9.434 6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.304 7.640 4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.768 8.183 5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.438 9.326 5.071 1.00 0.00 H new ATOM 620 N ASN A 42 -11.890 10.415 10.171 1.00 0.00 N ATOM 621 CA ASN A 42 -12.201 11.114 11.412 1.00 0.00 C ATOM 622 C ASN A 42 -11.818 12.580 11.267 1.00 0.00 C ATOM 623 O ASN A 42 -12.495 13.472 11.777 1.00 0.00 O ATOM 624 CB ASN A 42 -11.445 10.491 12.591 1.00 0.00 C ATOM 625 CG ASN A 42 -11.530 8.978 12.605 1.00 0.00 C ATOM 626 OD1 ASN A 42 -12.420 8.388 11.992 1.00 0.00 O ATOM 627 ND2 ASN A 42 -10.601 8.342 13.310 1.00 0.00 N ATOM 0 H ASN A 42 -11.405 9.526 10.292 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.269 11.028 11.610 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.398 10.792 12.546 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.849 10.882 13.524 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.606 7.323 13.359 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.882 8.872 13.802 1.00 0.00 H new ATOM 634 N LYS A 43 -10.724 12.808 10.544 1.00 0.00 N ATOM 635 CA LYS A 43 -10.234 14.159 10.297 1.00 0.00 C ATOM 636 C LYS A 43 -10.904 14.784 9.066 1.00 0.00 C ATOM 637 O LYS A 43 -11.053 16.003 8.988 1.00 0.00 O ATOM 638 CB LYS A 43 -8.717 14.144 10.110 1.00 0.00 C ATOM 639 CG LYS A 43 -8.032 15.416 10.582 1.00 0.00 C ATOM 640 CD LYS A 43 -7.567 15.295 12.024 1.00 0.00 C ATOM 641 CE LYS A 43 -8.743 15.193 12.982 1.00 0.00 C ATOM 642 NZ LYS A 43 -8.301 15.159 14.404 1.00 0.00 N ATOM 0 H LYS A 43 -10.160 12.072 10.119 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.487 14.767 11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.301 13.295 10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.491 13.990 9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.178 15.630 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.719 16.257 10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.933 14.415 12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.958 16.160 12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.410 16.042 12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.316 14.293 12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.133 15.089 15.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.685 14.335 14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.776 16.029 14.625 1.00 0.00 H new ATOM 656 N ALA A 44 -11.298 13.949 8.101 1.00 0.00 N ATOM 657 CA ALA A 44 -11.939 14.433 6.880 1.00 0.00 C ATOM 658 C ALA A 44 -13.415 14.717 7.100 1.00 0.00 C ATOM 659 O ALA A 44 -13.867 15.843 6.921 1.00 0.00 O ATOM 660 CB ALA A 44 -11.772 13.430 5.752 1.00 0.00 C ATOM 0 H ALA A 44 -11.184 12.936 8.143 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.448 15.366 6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.256 13.810 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.711 13.277 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.229 12.482 6.037 1.00 0.00 H new ATOM 666 N GLU A 45 -14.167 13.692 7.480 1.00 0.00 N ATOM 667 CA GLU A 45 -15.599 13.844 7.718 1.00 0.00 C ATOM 668 C GLU A 45 -15.880 15.070 8.577 1.00 0.00 C ATOM 669 O GLU A 45 -16.839 15.805 8.338 1.00 0.00 O ATOM 670 CB GLU A 45 -16.154 12.592 8.386 1.00 0.00 C ATOM 671 CG GLU A 45 -16.384 11.455 7.410 1.00 0.00 C ATOM 672 CD GLU A 45 -17.851 11.107 7.263 1.00 0.00 C ATOM 673 OE1 GLU A 45 -18.578 11.868 6.591 1.00 0.00 O ATOM 674 OE2 GLU A 45 -18.274 10.072 7.821 1.00 0.00 O ATOM 0 H GLU A 45 -13.811 12.748 7.630 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.094 13.982 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.463 12.264 9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.095 12.836 8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.979 11.729 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.837 10.575 7.747 1.00 0.00 H new ATOM 681 N GLU A 46 -15.020 15.299 9.562 1.00 0.00 N ATOM 682 CA GLU A 46 -15.156 16.451 10.439 1.00 0.00 C ATOM 683 C GLU A 46 -15.015 17.735 9.632 1.00 0.00 C ATOM 684 O GLU A 46 -15.508 18.787 10.031 1.00 0.00 O ATOM 685 CB GLU A 46 -14.103 16.408 11.548 1.00 0.00 C ATOM 686 CG GLU A 46 -14.510 15.557 12.740 1.00 0.00 C ATOM 687 CD GLU A 46 -15.517 16.252 13.635 1.00 0.00 C ATOM 688 OE1 GLU A 46 -15.611 17.496 13.570 1.00 0.00 O ATOM 689 OE2 GLU A 46 -16.212 15.553 14.402 1.00 0.00 O ATOM 0 H GLU A 46 -14.221 14.701 9.772 1.00 0.00 H new ATOM 0 HA GLU A 46 -16.143 16.425 10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.170 16.021 11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.904 17.424 11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.933 14.618 12.384 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.623 15.306 13.323 1.00 0.00 H new ATOM 696 N VAL A 47 -14.344 17.627 8.484 1.00 0.00 N ATOM 697 CA VAL A 47 -14.142 18.760 7.596 1.00 0.00 C ATOM 698 C VAL A 47 -15.198 18.766 6.496 1.00 0.00 C ATOM 699 O VAL A 47 -15.732 19.815 6.138 1.00 0.00 O ATOM 700 CB VAL A 47 -12.712 18.755 6.986 1.00 0.00 C ATOM 701 CG1 VAL A 47 -12.721 18.907 5.467 1.00 0.00 C ATOM 702 CG2 VAL A 47 -11.892 19.867 7.605 1.00 0.00 C ATOM 0 H VAL A 47 -13.930 16.756 8.150 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.245 19.672 8.185 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.267 17.785 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.697 18.897 5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.277 18.082 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.196 19.851 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.890 19.862 7.176 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.368 20.826 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.826 19.714 8.682 1.00 0.00 H new ATOM 712 N PHE A 48 -15.497 17.580 5.963 1.00 0.00 N ATOM 713 CA PHE A 48 -16.492 17.446 4.906 1.00 0.00 C ATOM 714 C PHE A 48 -17.782 18.153 5.295 1.00 0.00 C ATOM 715 O PHE A 48 -18.343 18.922 4.516 1.00 0.00 O ATOM 716 CB PHE A 48 -16.779 15.971 4.620 1.00 0.00 C ATOM 717 CG PHE A 48 -17.832 15.761 3.568 1.00 0.00 C ATOM 718 CD1 PHE A 48 -17.785 16.464 2.374 1.00 0.00 C ATOM 719 CD2 PHE A 48 -18.868 14.866 3.774 1.00 0.00 C ATOM 720 CE1 PHE A 48 -18.751 16.277 1.405 1.00 0.00 C ATOM 721 CE2 PHE A 48 -19.838 14.674 2.808 1.00 0.00 C ATOM 722 CZ PHE A 48 -19.780 15.381 1.622 1.00 0.00 C ATOM 0 H PHE A 48 -15.063 16.702 6.248 1.00 0.00 H new ATOM 0 HA PHE A 48 -16.091 17.909 4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.857 15.484 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.096 15.485 5.543 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -16.983 17.166 2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.919 14.312 4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -18.702 16.830 0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -20.641 13.972 2.980 1.00 0.00 H new ATOM 0 HZ PHE A 48 -20.537 15.233 0.866 1.00 0.00 H new ATOM 732 N ASN A 49 -18.239 17.891 6.512 1.00 0.00 N ATOM 733 CA ASN A 49 -19.458 18.511 7.011 1.00 0.00 C ATOM 734 C ASN A 49 -19.145 19.814 7.744 1.00 0.00 C ATOM 735 O ASN A 49 -20.002 20.369 8.430 1.00 0.00 O ATOM 736 CB ASN A 49 -20.198 17.551 7.946 1.00 0.00 C ATOM 737 CG ASN A 49 -20.346 16.164 7.351 1.00 0.00 C ATOM 738 OD1 ASN A 49 -21.303 15.884 6.629 1.00 0.00 O ATOM 739 ND2 ASN A 49 -19.395 15.287 7.653 1.00 0.00 N ATOM 0 H ASN A 49 -17.786 17.256 7.169 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.096 18.739 6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -19.660 17.482 8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.185 17.955 8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -19.440 14.338 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.620 15.563 8.256 1.00 0.00 H new ATOM 746 N LYS A 50 -17.909 20.292 7.604 1.00 0.00 N ATOM 747 CA LYS A 50 -17.493 21.525 8.269 1.00 0.00 C ATOM 748 C LYS A 50 -17.733 22.748 7.390 1.00 0.00 C ATOM 749 O LYS A 50 -17.918 22.634 6.178 1.00 0.00 O ATOM 750 CB LYS A 50 -16.017 21.438 8.634 1.00 0.00 C ATOM 751 CG LYS A 50 -15.628 22.259 9.850 1.00 0.00 C ATOM 752 CD LYS A 50 -14.160 22.061 10.199 1.00 0.00 C ATOM 753 CE LYS A 50 -13.451 23.387 10.422 1.00 0.00 C ATOM 754 NZ LYS A 50 -12.901 23.499 11.802 1.00 0.00 N ATOM 0 H LYS A 50 -17.184 19.848 7.041 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.094 21.638 9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -15.760 20.395 8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.423 21.768 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.820 23.314 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.249 21.973 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.079 21.449 11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.666 21.515 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.642 23.492 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.148 24.206 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.846 24.501 12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.523 22.994 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.950 23.080 11.832 1.00 0.00 H new ATOM 768 N GLU A 51 -17.711 23.921 8.016 1.00 0.00 N ATOM 769 CA GLU A 51 -17.908 25.179 7.305 1.00 0.00 C ATOM 770 C GLU A 51 -16.574 25.804 6.955 1.00 0.00 C ATOM 771 O GLU A 51 -16.463 26.524 5.963 1.00 0.00 O ATOM 772 CB GLU A 51 -18.750 26.148 8.139 1.00 0.00 C ATOM 773 CG GLU A 51 -19.550 27.133 7.302 1.00 0.00 C ATOM 774 CD GLU A 51 -20.674 27.782 8.084 1.00 0.00 C ATOM 775 OE1 GLU A 51 -20.449 28.145 9.258 1.00 0.00 O ATOM 776 OE2 GLU A 51 -21.780 27.929 7.523 1.00 0.00 O ATOM 0 H GLU A 51 -17.558 24.026 9.019 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.446 24.968 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.435 25.576 8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.093 26.703 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.883 27.907 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.965 26.616 6.437 1.00 0.00 H new ATOM 783 N ASP A 52 -15.548 25.499 7.742 1.00 0.00 N ATOM 784 CA ASP A 52 -14.229 26.019 7.447 1.00 0.00 C ATOM 785 C ASP A 52 -13.527 25.113 6.456 1.00 0.00 C ATOM 786 O ASP A 52 -12.318 25.217 6.256 1.00 0.00 O ATOM 787 CB ASP A 52 -13.373 26.189 8.699 1.00 0.00 C ATOM 788 CG ASP A 52 -14.173 26.654 9.901 1.00 0.00 C ATOM 789 OD1 ASP A 52 -15.180 27.366 9.704 1.00 0.00 O ATOM 790 OD2 ASP A 52 -13.792 26.305 11.038 1.00 0.00 O ATOM 0 H ASP A 52 -15.606 24.907 8.571 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.362 27.010 7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.890 25.241 8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.580 26.909 8.496 1.00 0.00 H new ATOM 795 N ALA A 53 -14.302 24.256 5.792 1.00 0.00 N ATOM 796 CA ALA A 53 -13.765 23.377 4.778 1.00 0.00 C ATOM 797 C ALA A 53 -13.526 24.209 3.538 1.00 0.00 C ATOM 798 O ALA A 53 -13.957 23.875 2.439 1.00 0.00 O ATOM 799 CB ALA A 53 -14.716 22.223 4.498 1.00 0.00 C ATOM 0 H ALA A 53 -15.306 24.159 5.946 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.829 22.931 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.288 21.577 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.871 21.649 5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.672 22.615 4.150 1.00 0.00 H new ATOM 805 N THR A 54 -12.859 25.327 3.765 1.00 0.00 N ATOM 806 CA THR A 54 -12.541 26.287 2.731 1.00 0.00 C ATOM 807 C THR A 54 -11.179 25.997 2.116 1.00 0.00 C ATOM 808 O THR A 54 -10.901 24.884 1.676 1.00 0.00 O ATOM 809 CB THR A 54 -12.604 27.697 3.329 1.00 0.00 C ATOM 810 OG1 THR A 54 -11.485 27.941 4.162 1.00 0.00 O ATOM 811 CG2 THR A 54 -13.852 27.937 4.158 1.00 0.00 C ATOM 0 H THR A 54 -12.519 25.594 4.689 1.00 0.00 H new ATOM 0 HA THR A 54 -13.270 26.212 1.924 1.00 0.00 H new ATOM 0 HB THR A 54 -12.614 28.374 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.544 28.847 4.532 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.837 28.953 4.553 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.735 27.804 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.882 27.227 4.984 1.00 0.00 H new ATOM 819 N GLU A 55 -10.348 27.007 2.072 1.00 0.00 N ATOM 820 CA GLU A 55 -9.016 26.881 1.491 1.00 0.00 C ATOM 821 C GLU A 55 -7.979 26.424 2.516 1.00 0.00 C ATOM 822 O GLU A 55 -6.893 25.982 2.146 1.00 0.00 O ATOM 823 CB GLU A 55 -8.583 28.213 0.878 1.00 0.00 C ATOM 824 CG GLU A 55 -8.425 29.330 1.898 1.00 0.00 C ATOM 825 CD GLU A 55 -8.626 30.705 1.291 1.00 0.00 C ATOM 826 OE1 GLU A 55 -7.971 31.004 0.271 1.00 0.00 O ATOM 827 OE2 GLU A 55 -9.437 31.481 1.837 1.00 0.00 O ATOM 0 H GLU A 55 -10.563 27.937 2.432 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.073 26.117 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.637 28.073 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.317 28.515 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.143 29.184 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.431 29.274 2.342 1.00 0.00 H new ATOM 834 N GLU A 56 -8.295 26.554 3.801 1.00 0.00 N ATOM 835 CA GLU A 56 -7.355 26.170 4.852 1.00 0.00 C ATOM 836 C GLU A 56 -7.605 24.764 5.413 1.00 0.00 C ATOM 837 O GLU A 56 -6.672 23.975 5.556 1.00 0.00 O ATOM 838 CB GLU A 56 -7.381 27.197 5.989 1.00 0.00 C ATOM 839 CG GLU A 56 -8.564 27.045 6.933 1.00 0.00 C ATOM 840 CD GLU A 56 -8.656 28.177 7.938 1.00 0.00 C ATOM 841 OE1 GLU A 56 -7.753 28.285 8.795 1.00 0.00 O ATOM 842 OE2 GLU A 56 -9.631 28.955 7.870 1.00 0.00 O ATOM 0 H GLU A 56 -9.186 26.919 4.139 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.369 26.150 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.458 27.112 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.398 28.199 5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.485 27.004 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.480 26.097 7.465 1.00 0.00 H new ATOM 849 N GLU A 57 -8.851 24.476 5.784 1.00 0.00 N ATOM 850 CA GLU A 57 -9.191 23.188 6.396 1.00 0.00 C ATOM 851 C GLU A 57 -9.188 22.010 5.417 1.00 0.00 C ATOM 852 O GLU A 57 -8.676 20.939 5.744 1.00 0.00 O ATOM 853 CB GLU A 57 -10.550 23.283 7.088 1.00 0.00 C ATOM 854 CG GLU A 57 -10.646 22.449 8.354 1.00 0.00 C ATOM 855 CD GLU A 57 -10.115 23.177 9.573 1.00 0.00 C ATOM 856 OE1 GLU A 57 -10.524 24.335 9.799 1.00 0.00 O ATOM 857 OE2 GLU A 57 -9.289 22.588 10.302 1.00 0.00 O ATOM 0 H GLU A 57 -9.640 25.112 5.673 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.404 22.982 7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.752 24.326 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.326 22.963 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.687 22.173 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.089 21.522 8.217 1.00 0.00 H new ATOM 864 N ILE A 58 -9.772 22.184 4.236 1.00 0.00 N ATOM 865 CA ILE A 58 -9.832 21.095 3.259 1.00 0.00 C ATOM 866 C ILE A 58 -8.458 20.491 3.016 1.00 0.00 C ATOM 867 O ILE A 58 -8.233 19.313 3.285 1.00 0.00 O ATOM 868 CB ILE A 58 -10.413 21.562 1.917 1.00 0.00 C ATOM 869 CG1 ILE A 58 -11.739 22.281 2.144 1.00 0.00 C ATOM 870 CG2 ILE A 58 -10.594 20.378 0.972 1.00 0.00 C ATOM 871 CD1 ILE A 58 -12.458 22.661 0.868 1.00 0.00 C ATOM 0 H ILE A 58 -10.206 23.055 3.932 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.490 20.338 3.686 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.715 22.260 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.390 21.641 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.556 23.183 2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.007 20.728 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.629 19.904 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.276 19.655 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.391 23.168 1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.827 23.327 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.674 21.762 0.291 1.00 0.00 H new ATOM 883 N ASN A 59 -7.541 21.305 2.507 1.00 0.00 N ATOM 884 CA ASN A 59 -6.179 20.837 2.232 1.00 0.00 C ATOM 885 C ASN A 59 -5.632 20.080 3.435 1.00 0.00 C ATOM 886 O ASN A 59 -4.947 19.069 3.292 1.00 0.00 O ATOM 887 CB ASN A 59 -5.234 21.998 1.879 1.00 0.00 C ATOM 888 CG ASN A 59 -5.851 23.367 2.080 1.00 0.00 C ATOM 889 OD1 ASN A 59 -6.945 23.644 1.589 1.00 0.00 O ATOM 890 ND2 ASN A 59 -5.151 24.231 2.807 1.00 0.00 N ATOM 0 H ASN A 59 -7.709 22.284 2.276 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.230 20.172 1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.334 21.921 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.923 21.898 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.517 25.168 2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.248 23.958 3.195 1.00 0.00 H new ATOM 897 N LEU A 60 -5.956 20.576 4.623 1.00 0.00 N ATOM 898 CA LEU A 60 -5.515 19.947 5.859 1.00 0.00 C ATOM 899 C LEU A 60 -6.200 18.596 6.038 1.00 0.00 C ATOM 900 O LEU A 60 -5.618 17.663 6.593 1.00 0.00 O ATOM 901 CB LEU A 60 -5.815 20.852 7.056 1.00 0.00 C ATOM 902 CG LEU A 60 -5.042 22.173 7.082 1.00 0.00 C ATOM 903 CD1 LEU A 60 -5.729 23.179 7.996 1.00 0.00 C ATOM 904 CD2 LEU A 60 -3.607 21.940 7.528 1.00 0.00 C ATOM 0 H LEU A 60 -6.523 21.413 4.755 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.438 19.790 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.882 21.073 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.595 20.302 7.971 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.028 22.583 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.164 24.111 8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.739 23.369 7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.776 22.778 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.071 22.889 7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.603 21.507 8.528 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.117 21.256 6.835 1.00 0.00 H new ATOM 916 N ALA A 61 -7.444 18.498 5.571 1.00 0.00 N ATOM 917 CA ALA A 61 -8.206 17.259 5.686 1.00 0.00 C ATOM 918 C ALA A 61 -7.969 16.325 4.496 1.00 0.00 C ATOM 919 O ALA A 61 -8.243 15.128 4.576 1.00 0.00 O ATOM 920 CB ALA A 61 -9.686 17.574 5.813 1.00 0.00 C ATOM 0 H ALA A 61 -7.943 19.260 5.111 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.861 16.741 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.250 16.645 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.853 18.183 6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.019 18.120 4.930 1.00 0.00 H new ATOM 926 N LYS A 62 -7.473 16.878 3.392 1.00 0.00 N ATOM 927 CA LYS A 62 -7.217 16.090 2.189 1.00 0.00 C ATOM 928 C LYS A 62 -5.849 15.408 2.244 1.00 0.00 C ATOM 929 O LYS A 62 -5.590 14.457 1.505 1.00 0.00 O ATOM 930 CB LYS A 62 -7.318 16.982 0.944 1.00 0.00 C ATOM 931 CG LYS A 62 -6.028 17.709 0.589 1.00 0.00 C ATOM 932 CD LYS A 62 -5.173 16.894 -0.366 1.00 0.00 C ATOM 933 CE LYS A 62 -4.497 17.778 -1.401 1.00 0.00 C ATOM 934 NZ LYS A 62 -5.450 18.230 -2.452 1.00 0.00 N ATOM 0 H LYS A 62 -7.241 17.867 3.305 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.974 15.308 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.621 16.369 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.105 17.719 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.265 18.672 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.464 17.915 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.416 16.348 0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.793 16.152 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.062 18.647 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.677 17.231 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.934 18.759 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.910 17.403 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.172 18.844 -2.025 1.00 0.00 H new ATOM 948 N GLU A 63 -4.973 15.904 3.112 1.00 0.00 N ATOM 949 CA GLU A 63 -3.628 15.352 3.253 1.00 0.00 C ATOM 950 C GLU A 63 -3.651 13.839 3.463 1.00 0.00 C ATOM 951 O GLU A 63 -2.960 13.098 2.765 1.00 0.00 O ATOM 952 CB GLU A 63 -2.903 16.024 4.421 1.00 0.00 C ATOM 953 CG GLU A 63 -2.183 17.306 4.034 1.00 0.00 C ATOM 954 CD GLU A 63 -0.874 17.486 4.778 1.00 0.00 C ATOM 955 OE1 GLU A 63 -0.189 16.471 5.029 1.00 0.00 O ATOM 956 OE2 GLU A 63 -0.532 18.641 5.108 1.00 0.00 O ATOM 0 H GLU A 63 -5.171 16.690 3.731 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.094 15.552 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.625 16.246 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.181 15.324 4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.989 17.300 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.832 18.158 4.236 1.00 0.00 H new ATOM 963 N SER A 64 -4.438 13.386 4.434 1.00 0.00 N ATOM 964 CA SER A 64 -4.532 11.964 4.740 1.00 0.00 C ATOM 965 C SER A 64 -5.665 11.291 3.967 1.00 0.00 C ATOM 966 O SER A 64 -5.742 10.067 3.913 1.00 0.00 O ATOM 967 CB SER A 64 -4.738 11.761 6.242 1.00 0.00 C ATOM 968 OG SER A 64 -4.015 12.722 6.991 1.00 0.00 O ATOM 0 H SER A 64 -5.019 13.983 5.022 1.00 0.00 H new ATOM 0 HA SER A 64 -3.595 11.500 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.799 11.834 6.480 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.416 10.759 6.524 1.00 0.00 H new ATOM 0 HG SER A 64 -4.165 12.571 7.948 1.00 0.00 H new ATOM 974 N LEU A 65 -6.541 12.086 3.368 1.00 0.00 N ATOM 975 CA LEU A 65 -7.653 11.544 2.607 1.00 0.00 C ATOM 976 C LEU A 65 -7.145 10.909 1.327 1.00 0.00 C ATOM 977 O LEU A 65 -7.613 9.849 0.912 1.00 0.00 O ATOM 978 CB LEU A 65 -8.655 12.649 2.281 1.00 0.00 C ATOM 979 CG LEU A 65 -10.023 12.497 2.940 1.00 0.00 C ATOM 980 CD1 LEU A 65 -10.946 13.626 2.505 1.00 0.00 C ATOM 981 CD2 LEU A 65 -10.632 11.141 2.606 1.00 0.00 C ATOM 0 H LEU A 65 -6.502 13.105 3.395 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.152 10.782 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.228 13.606 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.792 12.687 1.200 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.896 12.553 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.918 13.505 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.514 14.583 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.068 13.600 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.607 11.052 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.749 11.051 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.976 10.349 2.968 1.00 0.00 H new ATOM 993 N GLU A 66 -6.182 11.573 0.709 1.00 0.00 N ATOM 994 CA GLU A 66 -5.598 11.086 -0.527 1.00 0.00 C ATOM 995 C GLU A 66 -4.340 10.256 -0.268 1.00 0.00 C ATOM 996 O GLU A 66 -3.792 9.649 -1.187 1.00 0.00 O ATOM 997 CB GLU A 66 -5.275 12.254 -1.460 1.00 0.00 C ATOM 998 CG GLU A 66 -4.131 13.130 -0.971 1.00 0.00 C ATOM 999 CD GLU A 66 -4.028 14.437 -1.735 1.00 0.00 C ATOM 1000 OE1 GLU A 66 -4.996 14.790 -2.442 1.00 0.00 O ATOM 1001 OE2 GLU A 66 -2.979 15.105 -1.627 1.00 0.00 O ATOM 0 H GLU A 66 -5.789 12.452 1.045 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.333 10.438 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.025 11.862 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.167 12.869 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.269 13.343 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.193 12.583 -1.066 1.00 0.00 H new ATOM 1008 N GLY A 67 -3.877 10.240 0.981 1.00 0.00 N ATOM 1009 CA GLY A 67 -2.680 9.489 1.314 1.00 0.00 C ATOM 1010 C GLY A 67 -2.948 8.294 2.211 1.00 0.00 C ATOM 1011 O GLY A 67 -2.106 7.403 2.326 1.00 0.00 O ATOM 0 H GLY A 67 -4.308 10.732 1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.208 9.145 0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.969 10.152 1.807 1.00 0.00 H new ATOM 1015 N ALA A 68 -4.112 8.268 2.855 1.00 0.00 N ATOM 1016 CA ALA A 68 -4.457 7.164 3.745 1.00 0.00 C ATOM 1017 C ALA A 68 -5.237 6.076 3.012 1.00 0.00 C ATOM 1018 O ALA A 68 -4.964 4.889 3.190 1.00 0.00 O ATOM 1019 CB ALA A 68 -5.241 7.666 4.941 1.00 0.00 C ATOM 0 H ALA A 68 -4.826 8.992 2.778 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.525 6.723 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.488 6.827 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.640 8.389 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.159 8.143 4.600 1.00 0.00 H new ATOM 1025 N ILE A 69 -6.192 6.473 2.167 1.00 0.00 N ATOM 1026 CA ILE A 69 -6.962 5.511 1.408 1.00 0.00 C ATOM 1027 C ILE A 69 -6.017 4.759 0.506 1.00 0.00 C ATOM 1028 O ILE A 69 -6.090 3.539 0.368 1.00 0.00 O ATOM 1029 CB ILE A 69 -8.051 6.187 0.548 1.00 0.00 C ATOM 1030 CG1 ILE A 69 -7.424 7.175 -0.444 1.00 0.00 C ATOM 1031 CG2 ILE A 69 -9.063 6.888 1.433 1.00 0.00 C ATOM 1032 CD1 ILE A 69 -8.442 7.981 -1.227 1.00 0.00 C ATOM 0 H ILE A 69 -6.442 7.448 1.999 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.464 4.842 2.107 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.567 5.415 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.773 7.859 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.794 6.624 -1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -9.824 7.360 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.534 6.161 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.559 7.648 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.925 8.657 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.078 7.306 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.056 8.560 -0.537 1.00 0.00 H new ATOM 1044 N ALA A 70 -5.103 5.516 -0.086 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.102 4.943 -0.960 1.00 0.00 C ATOM 1046 C ALA A 70 -3.296 3.888 -0.209 1.00 0.00 C ATOM 1047 O ALA A 70 -2.737 2.970 -0.810 1.00 0.00 O ATOM 1048 CB ALA A 70 -3.189 6.027 -1.512 1.00 0.00 C ATOM 0 H ALA A 70 -5.038 6.528 0.026 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.603 4.465 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.443 5.576 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.780 6.747 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.688 6.535 -0.688 1.00 0.00 H new ATOM 1054 N ARG A 71 -3.258 4.025 1.115 1.00 0.00 N ATOM 1055 CA ARG A 71 -2.543 3.086 1.965 1.00 0.00 C ATOM 1056 C ARG A 71 -3.421 1.878 2.273 1.00 0.00 C ATOM 1057 O ARG A 71 -3.110 0.757 1.875 1.00 0.00 O ATOM 1058 CB ARG A 71 -2.107 3.767 3.264 1.00 0.00 C ATOM 1059 CG ARG A 71 -0.638 4.161 3.280 1.00 0.00 C ATOM 1060 CD ARG A 71 -0.303 5.111 2.143 1.00 0.00 C ATOM 1061 NE ARG A 71 0.989 4.803 1.534 1.00 0.00 N ATOM 1062 CZ ARG A 71 1.467 5.420 0.456 1.00 0.00 C ATOM 1063 NH1 ARG A 71 0.765 6.379 -0.135 1.00 0.00 N ATOM 1064 NH2 ARG A 71 2.652 5.078 -0.031 1.00 0.00 N ATOM 0 H ARG A 71 -3.718 4.782 1.621 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.653 2.747 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.715 4.658 3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.304 3.096 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.397 4.633 4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.020 3.267 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.083 5.057 1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.292 6.135 2.517 1.00 0.00 H new ATOM 0 HE ARG A 71 1.558 4.072 1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.146 6.647 0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.137 6.848 -0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.196 4.343 0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.019 5.550 -0.857 1.00 0.00 H new ATOM 1078 N PHE A 72 -4.528 2.111 2.981 1.00 0.00 N ATOM 1079 CA PHE A 72 -5.446 1.040 3.330 1.00 0.00 C ATOM 1080 C PHE A 72 -5.742 0.139 2.129 1.00 0.00 C ATOM 1081 O PHE A 72 -5.912 -1.071 2.278 1.00 0.00 O ATOM 1082 CB PHE A 72 -6.743 1.635 3.873 1.00 0.00 C ATOM 1083 CG PHE A 72 -7.655 0.607 4.459 1.00 0.00 C ATOM 1084 CD1 PHE A 72 -8.219 -0.364 3.658 1.00 0.00 C ATOM 1085 CD2 PHE A 72 -7.934 0.604 5.814 1.00 0.00 C ATOM 1086 CE1 PHE A 72 -9.045 -1.321 4.193 1.00 0.00 C ATOM 1087 CE2 PHE A 72 -8.761 -0.355 6.360 1.00 0.00 C ATOM 1088 CZ PHE A 72 -9.318 -1.319 5.549 1.00 0.00 C ATOM 0 H PHE A 72 -4.805 3.032 3.321 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.975 0.424 4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.505 2.378 4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -7.262 2.157 3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.009 -0.371 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -7.500 1.360 6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.482 -2.075 3.555 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.971 -0.350 7.419 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.967 -2.072 5.971 1.00 0.00 H new ATOM 1098 N ASN A 73 -5.808 0.737 0.945 1.00 0.00 N ATOM 1099 CA ASN A 73 -6.090 -0.007 -0.280 1.00 0.00 C ATOM 1100 C ASN A 73 -5.097 -1.148 -0.466 1.00 0.00 C ATOM 1101 O ASN A 73 -5.460 -2.234 -0.918 1.00 0.00 O ATOM 1102 CB ASN A 73 -6.043 0.925 -1.492 1.00 0.00 C ATOM 1103 CG ASN A 73 -7.188 1.919 -1.503 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -8.285 1.625 -1.030 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -6.937 3.105 -2.046 1.00 0.00 N ATOM 0 H ASN A 73 -5.670 1.738 0.806 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.091 -0.430 -0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.096 1.466 -1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.073 0.331 -2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.669 3.814 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.012 3.306 -2.427 1.00 0.00 H new ATOM 1112 N SER A 74 -3.842 -0.895 -0.115 1.00 0.00 N ATOM 1113 CA SER A 74 -2.795 -1.902 -0.243 1.00 0.00 C ATOM 1114 C SER A 74 -2.388 -2.434 1.129 1.00 0.00 C ATOM 1115 O SER A 74 -1.205 -2.623 1.409 1.00 0.00 O ATOM 1116 CB SER A 74 -1.581 -1.317 -0.971 1.00 0.00 C ATOM 1117 OG SER A 74 -1.793 0.044 -1.310 1.00 0.00 O ATOM 0 H SER A 74 -3.524 -0.001 0.260 1.00 0.00 H new ATOM 0 HA SER A 74 -3.187 -2.733 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.698 -1.404 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.383 -1.893 -1.875 1.00 0.00 H new ATOM 0 HG SER A 74 -1.198 0.294 -2.048 1.00 0.00 H new ATOM 1123 N LEU A 75 -3.381 -2.672 1.983 1.00 0.00 N ATOM 1124 CA LEU A 75 -3.131 -3.182 3.330 1.00 0.00 C ATOM 1125 C LEU A 75 -3.746 -4.569 3.521 1.00 0.00 C ATOM 1126 O LEU A 75 -3.292 -5.350 4.357 1.00 0.00 O ATOM 1127 CB LEU A 75 -3.695 -2.212 4.372 1.00 0.00 C ATOM 1128 CG LEU A 75 -2.649 -1.552 5.273 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -2.895 -0.054 5.376 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -2.654 -2.190 6.654 1.00 0.00 C ATOM 0 H LEU A 75 -4.366 -2.520 1.767 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.053 -3.268 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.253 -1.431 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.406 -2.749 4.999 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.667 -1.707 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.140 0.395 6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.837 0.393 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.885 0.124 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.904 -1.708 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.638 -2.069 7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.424 -3.252 6.565 1.00 0.00 H new ATOM 1142 N LEU A 76 -4.774 -4.868 2.734 1.00 0.00 N ATOM 1143 CA LEU A 76 -5.463 -6.159 2.796 1.00 0.00 C ATOM 1144 C LEU A 76 -4.630 -7.249 2.139 1.00 0.00 C ATOM 1145 O LEU A 76 -5.107 -7.955 1.249 1.00 0.00 O ATOM 1146 CB LEU A 76 -6.815 -6.060 2.083 1.00 0.00 C ATOM 1147 CG LEU A 76 -6.813 -5.311 0.738 1.00 0.00 C ATOM 1148 CD1 LEU A 76 -7.129 -3.838 0.951 1.00 0.00 C ATOM 1149 CD2 LEU A 76 -5.483 -5.477 -0.008 1.00 0.00 C ATOM 0 H LEU A 76 -5.154 -4.228 2.037 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.614 -6.415 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.189 -7.070 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.521 -5.566 2.751 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.591 -5.752 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.124 -3.322 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.113 -3.740 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.377 -3.395 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.525 -4.933 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.671 -5.082 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.307 -6.534 -0.206 1.00 0.00 H new ATOM 1161 N ILE A 77 -3.376 -7.361 2.545 1.00 0.00 N ATOM 1162 CA ILE A 77 -2.484 -8.342 1.946 1.00 0.00 C ATOM 1163 C ILE A 77 -2.488 -8.127 0.454 1.00 0.00 C ATOM 1164 O ILE A 77 -2.959 -8.970 -0.310 1.00 0.00 O ATOM 1165 CB ILE A 77 -2.911 -9.787 2.271 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -3.090 -9.980 3.784 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -1.894 -10.773 1.722 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -2.118 -9.190 4.640 1.00 0.00 C ATOM 0 H ILE A 77 -2.955 -6.792 3.279 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.484 -8.207 2.357 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.872 -9.975 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.107 -9.696 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.982 -11.039 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.208 -11.790 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.823 -10.658 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.920 -10.580 2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.318 -9.387 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.097 -9.489 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.240 -8.125 4.441 1.00 0.00 H new ATOM 1180 N GLU A 78 -1.982 -6.958 0.065 1.00 0.00 N ATOM 1181 CA GLU A 78 -1.927 -6.549 -1.327 1.00 0.00 C ATOM 1182 C GLU A 78 -2.075 -7.733 -2.257 1.00 0.00 C ATOM 1183 O GLU A 78 -1.372 -8.732 -2.135 1.00 0.00 O ATOM 1184 CB GLU A 78 -0.631 -5.795 -1.614 1.00 0.00 C ATOM 1185 CG GLU A 78 -0.840 -4.298 -1.753 1.00 0.00 C ATOM 1186 CD GLU A 78 -0.545 -3.796 -3.153 1.00 0.00 C ATOM 1187 OE1 GLU A 78 0.642 -3.562 -3.462 1.00 0.00 O ATOM 1188 OE2 GLU A 78 -1.502 -3.635 -3.940 1.00 0.00 O ATOM 0 H GLU A 78 -1.599 -6.270 0.713 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.766 -5.878 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.080 -5.985 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.186 -6.182 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.870 -4.053 -1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.199 -3.778 -1.042 1.00 0.00 H new ATOM 1195 N GLU A 79 -3.009 -7.613 -3.177 1.00 0.00 N ATOM 1196 CA GLU A 79 -3.285 -8.665 -4.139 1.00 0.00 C ATOM 1197 C GLU A 79 -1.990 -9.244 -4.718 1.00 0.00 C ATOM 1198 O GLU A 79 -1.970 -10.374 -5.209 1.00 0.00 O ATOM 1199 CB GLU A 79 -4.189 -8.118 -5.239 1.00 0.00 C ATOM 1200 CG GLU A 79 -5.297 -7.211 -4.706 1.00 0.00 C ATOM 1201 CD GLU A 79 -6.649 -7.515 -5.323 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -6.922 -7.009 -6.432 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -7.434 -8.257 -4.696 1.00 0.00 O ATOM 0 H GLU A 79 -3.598 -6.787 -3.281 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.798 -9.483 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.584 -7.561 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.638 -8.951 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.363 -7.322 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.037 -6.171 -4.905 1.00 0.00 H new ATOM 1210 N SER A 80 -0.905 -8.470 -4.643 1.00 0.00 N ATOM 1211 CA SER A 80 0.391 -8.913 -5.144 1.00 0.00 C ATOM 1212 C SER A 80 1.480 -8.814 -4.067 1.00 0.00 C ATOM 1213 O SER A 80 2.666 -8.745 -4.391 1.00 0.00 O ATOM 1214 CB SER A 80 0.794 -8.086 -6.366 1.00 0.00 C ATOM 1215 OG SER A 80 0.924 -6.714 -6.034 1.00 0.00 O ATOM 0 H SER A 80 -0.902 -7.533 -4.239 1.00 0.00 H new ATOM 0 HA SER A 80 0.294 -9.961 -5.428 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.738 -8.458 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.047 -8.204 -7.151 1.00 0.00 H new ATOM 0 HG SER A 80 1.184 -6.208 -6.832 1.00 0.00 H new ATOM 1221 N THR A 81 1.085 -8.810 -2.786 1.00 0.00 N ATOM 1222 CA THR A 81 2.050 -8.723 -1.687 1.00 0.00 C ATOM 1223 C THR A 81 3.201 -9.713 -1.864 1.00 0.00 C ATOM 1224 O THR A 81 4.299 -9.489 -1.356 1.00 0.00 O ATOM 1225 CB THR A 81 1.352 -8.979 -0.347 1.00 0.00 C ATOM 1226 OG1 THR A 81 2.278 -9.409 0.636 1.00 0.00 O ATOM 1227 CG2 THR A 81 0.266 -10.028 -0.423 1.00 0.00 C ATOM 0 H THR A 81 0.111 -8.866 -2.489 1.00 0.00 H new ATOM 0 HA THR A 81 2.466 -7.716 -1.697 1.00 0.00 H new ATOM 0 HB THR A 81 0.902 -8.023 -0.081 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.272 -10.388 0.685 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.184 -10.157 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.498 -9.710 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.696 -10.974 -0.752 1.00 0.00 H new ATOM 1235 N GLY A 82 2.945 -10.808 -2.575 1.00 0.00 N ATOM 1236 CA GLY A 82 3.971 -11.816 -2.793 1.00 0.00 C ATOM 1237 C GLY A 82 5.325 -11.217 -3.120 1.00 0.00 C ATOM 1238 O GLY A 82 6.362 -11.771 -2.760 1.00 0.00 O ATOM 0 H GLY A 82 2.044 -11.016 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.059 -12.436 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.663 -12.471 -3.608 1.00 0.00 H new ATOM 1242 N ASP A 83 5.315 -10.080 -3.801 1.00 0.00 N ATOM 1243 CA ASP A 83 6.552 -9.407 -4.171 1.00 0.00 C ATOM 1244 C ASP A 83 7.060 -8.534 -3.027 1.00 0.00 C ATOM 1245 O ASP A 83 6.811 -7.329 -3.000 1.00 0.00 O ATOM 1246 CB ASP A 83 6.339 -8.554 -5.423 1.00 0.00 C ATOM 1247 CG ASP A 83 6.515 -9.351 -6.701 1.00 0.00 C ATOM 1248 OD1 ASP A 83 7.433 -10.197 -6.752 1.00 0.00 O ATOM 1249 OD2 ASP A 83 5.737 -9.127 -7.652 1.00 0.00 O ATOM 0 H ASP A 83 4.466 -9.605 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 83 7.301 -10.170 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.338 -8.124 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.043 -7.722 -5.417 1.00 0.00 H new ATOM 1254 N PHE A 84 7.778 -9.144 -2.087 1.00 0.00 N ATOM 1255 CA PHE A 84 8.320 -8.412 -0.954 1.00 0.00 C ATOM 1256 C PHE A 84 9.407 -7.455 -1.420 1.00 0.00 C ATOM 1257 O PHE A 84 9.469 -6.305 -0.985 1.00 0.00 O ATOM 1258 CB PHE A 84 8.890 -9.382 0.085 1.00 0.00 C ATOM 1259 CG PHE A 84 8.023 -9.557 1.297 1.00 0.00 C ATOM 1260 CD1 PHE A 84 7.358 -8.479 1.857 1.00 0.00 C ATOM 1261 CD2 PHE A 84 7.874 -10.805 1.880 1.00 0.00 C ATOM 1262 CE1 PHE A 84 6.563 -8.641 2.973 1.00 0.00 C ATOM 1263 CE2 PHE A 84 7.080 -10.974 2.997 1.00 0.00 C ATOM 1264 CZ PHE A 84 6.422 -9.891 3.544 1.00 0.00 C ATOM 0 H PHE A 84 7.995 -10.141 -2.091 1.00 0.00 H new ATOM 0 HA PHE A 84 7.515 -7.839 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.041 -10.354 -0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.870 -9.025 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.463 -7.499 1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.385 -11.656 1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.051 -7.791 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.974 -11.952 3.442 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.798 -10.020 4.416 1.00 0.00 H new ATOM 1274 N ASN A 85 10.261 -7.946 -2.307 1.00 0.00 N ATOM 1275 CA ASN A 85 11.356 -7.147 -2.840 1.00 0.00 C ATOM 1276 C ASN A 85 11.033 -6.634 -4.240 1.00 0.00 C ATOM 1277 O ASN A 85 11.575 -5.621 -4.680 1.00 0.00 O ATOM 1278 CB ASN A 85 12.640 -7.976 -2.866 1.00 0.00 C ATOM 1279 CG ASN A 85 12.477 -9.277 -3.627 1.00 0.00 C ATOM 1280 OD1 ASN A 85 11.604 -9.404 -4.486 1.00 0.00 O ATOM 1281 ND2 ASN A 85 13.319 -10.254 -3.313 1.00 0.00 N ATOM 0 H ASN A 85 10.216 -8.897 -2.674 1.00 0.00 H new ATOM 0 HA ASN A 85 11.497 -6.284 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.438 -7.390 -3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.949 -8.193 -1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.257 -11.153 -3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.028 -10.105 -2.595 1.00 0.00 H new ATOM 1288 N GLY A 86 10.146 -7.339 -4.937 1.00 0.00 N ATOM 1289 CA GLY A 86 9.770 -6.935 -6.278 1.00 0.00 C ATOM 1290 C GLY A 86 10.542 -7.674 -7.355 1.00 0.00 C ATOM 1291 O GLY A 86 10.232 -7.547 -8.540 1.00 0.00 O ATOM 0 H GLY A 86 9.682 -8.181 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.703 -7.109 -6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.936 -5.863 -6.389 1.00 0.00 H new ATOM 1295 N ASN A 87 11.549 -8.445 -6.952 1.00 0.00 N ATOM 1296 CA ASN A 87 12.356 -9.198 -7.909 1.00 0.00 C ATOM 1297 C ASN A 87 11.500 -10.203 -8.672 1.00 0.00 C ATOM 1298 O ASN A 87 11.836 -10.599 -9.788 1.00 0.00 O ATOM 1299 CB ASN A 87 13.496 -9.934 -7.202 1.00 0.00 C ATOM 1300 CG ASN A 87 14.143 -9.107 -6.110 1.00 0.00 C ATOM 1301 OD1 ASN A 87 13.893 -7.908 -5.991 1.00 0.00 O ATOM 1302 ND2 ASN A 87 14.981 -9.748 -5.307 1.00 0.00 N ATOM 0 H ASN A 87 11.824 -8.565 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 87 12.778 -8.483 -8.615 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.113 -10.859 -6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.252 -10.213 -7.936 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.449 -9.246 -4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.158 -10.743 -5.444 1.00 0.00 H new ATOM 1309 N GLY A 88 10.393 -10.615 -8.062 1.00 0.00 N ATOM 1310 CA GLY A 88 9.510 -11.571 -8.700 1.00 0.00 C ATOM 1311 C GLY A 88 9.671 -12.977 -8.151 1.00 0.00 C ATOM 1312 O GLY A 88 9.269 -13.947 -8.793 1.00 0.00 O ATOM 0 H GLY A 88 10.093 -10.304 -7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.477 -11.250 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.705 -11.580 -9.772 1.00 0.00 H new ATOM 1316 N LYS A 89 10.253 -13.091 -6.959 1.00 0.00 N ATOM 1317 CA LYS A 89 10.452 -14.391 -6.333 1.00 0.00 C ATOM 1318 C LYS A 89 9.791 -14.423 -4.962 1.00 0.00 C ATOM 1319 O LYS A 89 10.183 -13.685 -4.058 1.00 0.00 O ATOM 1320 CB LYS A 89 11.944 -14.698 -6.202 1.00 0.00 C ATOM 1321 CG LYS A 89 12.739 -13.585 -5.539 1.00 0.00 C ATOM 1322 CD LYS A 89 14.231 -13.871 -5.569 1.00 0.00 C ATOM 1323 CE LYS A 89 14.910 -13.428 -4.283 1.00 0.00 C ATOM 1324 NZ LYS A 89 16.219 -14.110 -4.082 1.00 0.00 N ATOM 0 H LYS A 89 10.593 -12.301 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 89 9.993 -15.152 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.068 -15.615 -5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.356 -14.886 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.538 -12.641 -6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.411 -13.468 -4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.395 -14.938 -5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.684 -13.357 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.063 -12.349 -4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.257 -13.639 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.649 -13.780 -3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.071 -15.138 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.852 -13.888 -4.877 1.00 0.00 H new ATOM 1338 N ILE A 90 8.781 -15.272 -4.813 1.00 0.00 N ATOM 1339 CA ILE A 90 8.068 -15.381 -3.547 1.00 0.00 C ATOM 1340 C ILE A 90 8.331 -16.719 -2.874 1.00 0.00 C ATOM 1341 O ILE A 90 7.704 -17.728 -3.199 1.00 0.00 O ATOM 1342 CB ILE A 90 6.546 -15.194 -3.716 1.00 0.00 C ATOM 1343 CG1 ILE A 90 6.230 -14.376 -4.973 1.00 0.00 C ATOM 1344 CG2 ILE A 90 5.971 -14.517 -2.482 1.00 0.00 C ATOM 1345 CD1 ILE A 90 7.010 -13.081 -5.065 1.00 0.00 C ATOM 0 H ILE A 90 8.439 -15.891 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 90 8.449 -14.577 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 90 6.086 -16.175 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.443 -14.982 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.164 -14.150 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.896 -14.387 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.163 -15.135 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.441 -13.543 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.735 -12.555 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.779 -12.455 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.078 -13.300 -5.079 1.00 0.00 H new ATOM 1357 N ASP A 91 9.259 -16.712 -1.930 1.00 0.00 N ATOM 1358 CA ASP A 91 9.614 -17.918 -1.190 1.00 0.00 C ATOM 1359 C ASP A 91 10.354 -17.556 0.084 1.00 0.00 C ATOM 1360 O ASP A 91 9.850 -17.762 1.188 1.00 0.00 O ATOM 1361 CB ASP A 91 10.472 -18.845 -2.054 1.00 0.00 C ATOM 1362 CG ASP A 91 10.763 -20.166 -1.372 1.00 0.00 C ATOM 1363 OD1 ASP A 91 11.732 -20.229 -0.587 1.00 0.00 O ATOM 1364 OD2 ASP A 91 10.020 -21.140 -1.622 1.00 0.00 O ATOM 0 H ASP A 91 9.784 -15.881 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 91 8.696 -18.442 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.962 -19.032 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.412 -18.348 -2.292 1.00 0.00 H new ATOM 1369 N ILE A 92 11.544 -16.996 -0.073 1.00 0.00 N ATOM 1370 CA ILE A 92 12.336 -16.584 1.074 1.00 0.00 C ATOM 1371 C ILE A 92 11.990 -15.169 1.478 1.00 0.00 C ATOM 1372 O ILE A 92 12.439 -14.683 2.516 1.00 0.00 O ATOM 1373 CB ILE A 92 13.836 -16.673 0.802 1.00 0.00 C ATOM 1374 CG1 ILE A 92 14.174 -15.987 -0.519 1.00 0.00 C ATOM 1375 CG2 ILE A 92 14.253 -18.127 0.799 1.00 0.00 C ATOM 1376 CD1 ILE A 92 15.251 -14.934 -0.388 1.00 0.00 C ATOM 0 H ILE A 92 11.980 -16.818 -0.978 1.00 0.00 H new ATOM 0 HA ILE A 92 12.095 -17.272 1.884 1.00 0.00 H new ATOM 0 HB ILE A 92 14.388 -16.157 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.497 -16.739 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.272 -15.526 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 92 15.323 -18.198 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 92 14.029 -18.572 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 92 13.707 -18.660 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 92 15.443 -14.486 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.922 -14.162 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 92 16.166 -15.394 -0.014 1.00 0.00 H new ATOM 1388 N GLY A 93 11.156 -14.516 0.672 1.00 0.00 N ATOM 1389 CA GLY A 93 10.740 -13.176 0.999 1.00 0.00 C ATOM 1390 C GLY A 93 10.172 -13.116 2.398 1.00 0.00 C ATOM 1391 O GLY A 93 10.050 -12.043 2.985 1.00 0.00 O ATOM 0 H GLY A 93 10.768 -14.893 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.589 -12.497 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.991 -12.838 0.283 1.00 0.00 H new ATOM 1395 N ASP A 94 9.837 -14.291 2.936 1.00 0.00 N ATOM 1396 CA ASP A 94 9.294 -14.391 4.282 1.00 0.00 C ATOM 1397 C ASP A 94 10.383 -14.785 5.272 1.00 0.00 C ATOM 1398 O ASP A 94 10.314 -14.446 6.453 1.00 0.00 O ATOM 1399 CB ASP A 94 8.157 -15.410 4.323 1.00 0.00 C ATOM 1400 CG ASP A 94 7.524 -15.517 5.697 1.00 0.00 C ATOM 1401 OD1 ASP A 94 8.240 -15.875 6.654 1.00 0.00 O ATOM 1402 OD2 ASP A 94 6.311 -15.243 5.813 1.00 0.00 O ATOM 0 H ASP A 94 9.935 -15.185 2.455 1.00 0.00 H new ATOM 0 HA ASP A 94 8.902 -13.414 4.565 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.395 -15.129 3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.538 -16.387 4.024 1.00 0.00 H new ATOM 1407 N LEU A 95 11.379 -15.525 4.788 1.00 0.00 N ATOM 1408 CA LEU A 95 12.468 -15.985 5.645 1.00 0.00 C ATOM 1409 C LEU A 95 13.751 -15.180 5.436 1.00 0.00 C ATOM 1410 O LEU A 95 14.850 -15.702 5.629 1.00 0.00 O ATOM 1411 CB LEU A 95 12.743 -17.468 5.393 1.00 0.00 C ATOM 1412 CG LEU A 95 13.082 -18.285 6.641 1.00 0.00 C ATOM 1413 CD1 LEU A 95 12.897 -19.771 6.372 1.00 0.00 C ATOM 1414 CD2 LEU A 95 14.505 -17.997 7.095 1.00 0.00 C ATOM 0 H LEU A 95 11.454 -15.817 3.814 1.00 0.00 H new ATOM 0 HA LEU A 95 12.151 -15.836 6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 95 11.867 -17.908 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.568 -17.554 4.686 1.00 0.00 H new ATOM 0 HG LEU A 95 12.400 -17.993 7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.143 -20.337 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.861 -19.964 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.555 -20.078 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.730 -18.586 7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.201 -18.261 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 95 14.605 -16.937 7.328 1.00 0.00 H new ATOM 1426 N ALA A 96 13.620 -13.914 5.046 1.00 0.00 N ATOM 1427 CA ALA A 96 14.796 -13.075 4.829 1.00 0.00 C ATOM 1428 C ALA A 96 14.450 -11.583 4.820 1.00 0.00 C ATOM 1429 O ALA A 96 14.384 -10.952 5.875 1.00 0.00 O ATOM 1430 CB ALA A 96 15.498 -13.480 3.539 1.00 0.00 C ATOM 0 H ALA A 96 12.727 -13.452 4.876 1.00 0.00 H new ATOM 0 HA ALA A 96 15.475 -13.234 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.373 -12.848 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.810 -14.522 3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.814 -13.360 2.699 1.00 0.00 H new ATOM 1436 N MET A 97 14.257 -11.020 3.624 1.00 0.00 N ATOM 1437 CA MET A 97 13.947 -9.593 3.466 1.00 0.00 C ATOM 1438 C MET A 97 13.057 -9.049 4.585 1.00 0.00 C ATOM 1439 O MET A 97 13.514 -8.280 5.430 1.00 0.00 O ATOM 1440 CB MET A 97 13.291 -9.310 2.104 1.00 0.00 C ATOM 1441 CG MET A 97 12.575 -10.494 1.477 1.00 0.00 C ATOM 1442 SD MET A 97 13.146 -10.840 -0.199 1.00 0.00 S ATOM 1443 CE MET A 97 11.602 -10.739 -1.096 1.00 0.00 C ATOM 0 H MET A 97 14.310 -11.533 2.744 1.00 0.00 H new ATOM 0 HA MET A 97 14.904 -9.074 3.522 1.00 0.00 H new ATOM 0 HB2 MET A 97 12.577 -8.495 2.224 1.00 0.00 H new ATOM 0 HB3 MET A 97 14.059 -8.962 1.413 1.00 0.00 H new ATOM 0 HG2 MET A 97 12.727 -11.377 2.098 1.00 0.00 H new ATOM 0 HG3 MET A 97 11.503 -10.298 1.459 1.00 0.00 H new ATOM 0 HE1 MET A 97 11.688 -11.290 -2.032 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.802 -11.170 -0.494 1.00 0.00 H new ATOM 0 HE3 MET A 97 11.373 -9.695 -1.310 1.00 0.00 H new ATOM 1453 N VAL A 98 11.779 -9.418 4.572 1.00 0.00 N ATOM 1454 CA VAL A 98 10.840 -8.925 5.575 1.00 0.00 C ATOM 1455 C VAL A 98 11.343 -9.144 7.007 1.00 0.00 C ATOM 1456 O VAL A 98 11.593 -8.181 7.726 1.00 0.00 O ATOM 1457 CB VAL A 98 9.430 -9.541 5.397 1.00 0.00 C ATOM 1458 CG1 VAL A 98 9.485 -11.058 5.421 1.00 0.00 C ATOM 1459 CG2 VAL A 98 8.464 -9.019 6.457 1.00 0.00 C ATOM 0 H VAL A 98 11.372 -10.052 3.884 1.00 0.00 H new ATOM 0 HA VAL A 98 10.765 -7.850 5.414 1.00 0.00 H new ATOM 0 HB VAL A 98 9.059 -9.234 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.480 -11.461 5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.123 -11.412 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.892 -11.392 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.482 -9.468 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.835 -9.280 7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.383 -7.935 6.374 1.00 0.00 H new ATOM 1469 N SER A 99 11.501 -10.396 7.429 1.00 0.00 N ATOM 1470 CA SER A 99 11.963 -10.671 8.786 1.00 0.00 C ATOM 1471 C SER A 99 13.293 -9.985 9.103 1.00 0.00 C ATOM 1472 O SER A 99 13.747 -10.009 10.247 1.00 0.00 O ATOM 1473 CB SER A 99 12.082 -12.170 9.038 1.00 0.00 C ATOM 1474 OG SER A 99 11.508 -12.918 7.981 1.00 0.00 O ATOM 0 H SER A 99 11.319 -11.224 6.861 1.00 0.00 H new ATOM 0 HA SER A 99 11.207 -10.256 9.453 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.132 -12.440 9.148 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.587 -12.423 9.976 1.00 0.00 H new ATOM 0 HG SER A 99 10.966 -13.645 8.352 1.00 0.00 H new ATOM 1480 N LYS A 100 13.923 -9.388 8.097 1.00 0.00 N ATOM 1481 CA LYS A 100 15.200 -8.722 8.297 1.00 0.00 C ATOM 1482 C LYS A 100 15.064 -7.441 9.108 1.00 0.00 C ATOM 1483 O LYS A 100 15.657 -7.314 10.179 1.00 0.00 O ATOM 1484 CB LYS A 100 15.863 -8.426 6.953 1.00 0.00 C ATOM 1485 CG LYS A 100 17.311 -7.989 7.076 1.00 0.00 C ATOM 1486 CD LYS A 100 17.422 -6.476 7.173 1.00 0.00 C ATOM 1487 CE LYS A 100 16.890 -5.800 5.921 1.00 0.00 C ATOM 1488 NZ LYS A 100 17.430 -4.422 5.761 1.00 0.00 N ATOM 0 H LYS A 100 13.571 -9.353 7.140 1.00 0.00 H new ATOM 0 HA LYS A 100 15.830 -9.403 8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.813 -9.317 6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.298 -7.646 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 100 17.758 -8.446 7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 100 17.875 -8.343 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.867 -6.124 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 100 18.464 -6.195 7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 100 17.153 -6.396 5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.802 -5.760 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.537 -4.206 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.774 -3.740 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.356 -4.356 6.229 1.00 0.00 H new ATOM 1502 N ASN A 101 14.292 -6.488 8.603 1.00 0.00 N ATOM 1503 CA ASN A 101 14.108 -5.229 9.302 1.00 0.00 C ATOM 1504 C ASN A 101 13.163 -5.414 10.476 1.00 0.00 C ATOM 1505 O ASN A 101 13.470 -5.025 11.602 1.00 0.00 O ATOM 1506 CB ASN A 101 13.558 -4.159 8.356 1.00 0.00 C ATOM 1507 CG ASN A 101 14.185 -4.214 6.978 1.00 0.00 C ATOM 1508 OD1 ASN A 101 15.192 -3.557 6.715 1.00 0.00 O ATOM 1509 ND2 ASN A 101 13.590 -5.000 6.088 1.00 0.00 N ATOM 0 H ASN A 101 13.788 -6.564 7.719 1.00 0.00 H new ATOM 0 HA ASN A 101 15.079 -4.900 9.673 1.00 0.00 H new ATOM 0 HB2 ASN A 101 12.479 -4.282 8.264 1.00 0.00 H new ATOM 0 HB3 ASN A 101 13.731 -3.174 8.790 1.00 0.00 H new ATOM 0 HD21 ASN A 101 13.966 -5.077 5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 101 12.757 -5.527 6.349 1.00 0.00 H new ATOM 1516 N ILE A 102 12.006 -6.001 10.187 1.00 0.00 N ATOM 1517 CA ILE A 102 10.975 -6.241 11.186 1.00 0.00 C ATOM 1518 C ILE A 102 10.848 -5.069 12.148 1.00 0.00 C ATOM 1519 O ILE A 102 11.620 -4.924 13.096 1.00 0.00 O ATOM 1520 CB ILE A 102 11.212 -7.548 11.972 1.00 0.00 C ATOM 1521 CG1 ILE A 102 11.074 -8.746 11.034 1.00 0.00 C ATOM 1522 CG2 ILE A 102 10.239 -7.672 13.144 1.00 0.00 C ATOM 1523 CD1 ILE A 102 9.637 -9.130 10.721 1.00 0.00 C ATOM 0 H ILE A 102 11.758 -6.324 9.252 1.00 0.00 H new ATOM 0 HA ILE A 102 10.039 -6.347 10.638 1.00 0.00 H new ATOM 0 HB ILE A 102 12.222 -7.527 12.381 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.590 -8.523 10.100 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.578 -9.603 11.481 1.00 0.00 H new ATOM 0 HG21 ILE A 102 10.430 -8.602 13.679 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.376 -6.829 13.822 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.216 -7.673 12.769 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.628 -9.989 10.050 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.119 -9.387 11.645 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.132 -8.290 10.243 1.00 0.00 H new ATOM 1535 N GLY A 103 9.850 -4.249 11.886 1.00 0.00 N ATOM 1536 CA GLY A 103 9.596 -3.089 12.720 1.00 0.00 C ATOM 1537 C GLY A 103 10.241 -1.825 12.183 1.00 0.00 C ATOM 1538 O GLY A 103 10.275 -0.802 12.868 1.00 0.00 O ATOM 0 H GLY A 103 9.203 -4.363 11.105 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.520 -2.935 12.802 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.968 -3.282 13.726 1.00 0.00 H new ATOM 1542 N SER A 104 10.755 -1.889 10.958 1.00 0.00 N ATOM 1543 CA SER A 104 11.399 -0.734 10.342 1.00 0.00 C ATOM 1544 C SER A 104 10.419 0.032 9.461 1.00 0.00 C ATOM 1545 O SER A 104 9.613 -0.562 8.745 1.00 0.00 O ATOM 1546 CB SER A 104 12.606 -1.175 9.515 1.00 0.00 C ATOM 1547 OG SER A 104 13.353 -0.058 9.066 1.00 0.00 O ATOM 0 H SER A 104 10.738 -2.725 10.374 1.00 0.00 H new ATOM 0 HA SER A 104 11.736 -0.072 11.140 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.243 -1.825 10.114 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.270 -1.759 8.659 1.00 0.00 H new ATOM 0 HG SER A 104 14.120 -0.367 8.541 1.00 0.00 H new ATOM 1553 N THR A 105 10.494 1.356 9.525 1.00 0.00 N ATOM 1554 CA THR A 105 9.615 2.214 8.740 1.00 0.00 C ATOM 1555 C THR A 105 10.278 2.619 7.426 1.00 0.00 C ATOM 1556 O THR A 105 9.603 2.836 6.420 1.00 0.00 O ATOM 1557 CB THR A 105 9.239 3.462 9.543 1.00 0.00 C ATOM 1558 OG1 THR A 105 10.257 4.443 9.453 1.00 0.00 O ATOM 1559 CG2 THR A 105 9.000 3.183 11.014 1.00 0.00 C ATOM 0 H THR A 105 11.157 1.860 10.114 1.00 0.00 H new ATOM 0 HA THR A 105 8.710 1.652 8.509 1.00 0.00 H new ATOM 0 HB THR A 105 8.307 3.816 9.102 1.00 0.00 H new ATOM 0 HG1 THR A 105 9.997 5.233 9.971 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.738 4.111 11.522 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.184 2.468 11.121 1.00 0.00 H new ATOM 0 HG23 THR A 105 9.906 2.770 11.458 1.00 0.00 H new ATOM 1567 N THR A 106 11.604 2.719 7.441 1.00 0.00 N ATOM 1568 CA THR A 106 12.356 3.098 6.248 1.00 0.00 C ATOM 1569 C THR A 106 12.119 2.099 5.119 1.00 0.00 C ATOM 1570 O THR A 106 11.317 2.347 4.218 1.00 0.00 O ATOM 1571 CB THR A 106 13.853 3.196 6.564 1.00 0.00 C ATOM 1572 OG1 THR A 106 14.119 2.770 7.890 1.00 0.00 O ATOM 1573 CG2 THR A 106 14.404 4.598 6.413 1.00 0.00 C ATOM 0 H THR A 106 12.180 2.543 8.265 1.00 0.00 H new ATOM 0 HA THR A 106 12.004 4.077 5.922 1.00 0.00 H new ATOM 0 HB THR A 106 14.343 2.548 5.838 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.080 2.839 8.069 1.00 0.00 H new ATOM 0 HG21 THR A 106 15.468 4.598 6.651 1.00 0.00 H new ATOM 0 HG22 THR A 106 14.262 4.936 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 106 13.880 5.270 7.092 1.00 0.00 H new ATOM 1581 N ASN A 107 12.815 0.968 5.176 1.00 0.00 N ATOM 1582 CA ASN A 107 12.670 -0.067 4.158 1.00 0.00 C ATOM 1583 C ASN A 107 11.311 -0.747 4.279 1.00 0.00 C ATOM 1584 O ASN A 107 11.215 -1.906 4.683 1.00 0.00 O ATOM 1585 CB ASN A 107 13.789 -1.103 4.290 1.00 0.00 C ATOM 1586 CG ASN A 107 13.783 -2.108 3.154 1.00 0.00 C ATOM 1587 OD1 ASN A 107 14.444 -1.915 2.135 1.00 0.00 O ATOM 1588 ND2 ASN A 107 13.033 -3.191 3.326 1.00 0.00 N ATOM 0 H ASN A 107 13.483 0.745 5.914 1.00 0.00 H new ATOM 0 HA ASN A 107 12.739 0.403 3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.752 -0.593 4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.683 -1.630 5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 107 12.990 -3.903 2.596 1.00 0.00 H new ATOM 0 HD22 ASN A 107 12.500 -3.311 4.188 1.00 0.00 H new ATOM 1595 N THR A 108 10.259 -0.012 3.934 1.00 0.00 N ATOM 1596 CA THR A 108 8.900 -0.534 4.013 1.00 0.00 C ATOM 1597 C THR A 108 8.471 -1.199 2.704 1.00 0.00 C ATOM 1598 O THR A 108 7.359 -1.716 2.600 1.00 0.00 O ATOM 1599 CB THR A 108 7.925 0.586 4.373 1.00 0.00 C ATOM 1600 OG1 THR A 108 6.647 0.057 4.679 1.00 0.00 O ATOM 1601 CG2 THR A 108 7.749 1.607 3.268 1.00 0.00 C ATOM 0 H THR A 108 10.322 0.948 3.596 1.00 0.00 H new ATOM 0 HA THR A 108 8.884 -1.294 4.794 1.00 0.00 H new ATOM 0 HB THR A 108 8.364 1.085 5.237 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.037 0.788 4.909 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.044 2.374 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 108 8.710 2.069 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.366 1.114 2.375 1.00 0.00 H new ATOM 1609 N SER A 109 9.352 -1.183 1.706 1.00 0.00 N ATOM 1610 CA SER A 109 9.052 -1.783 0.408 1.00 0.00 C ATOM 1611 C SER A 109 8.480 -3.193 0.558 1.00 0.00 C ATOM 1612 O SER A 109 7.760 -3.675 -0.317 1.00 0.00 O ATOM 1613 CB SER A 109 10.313 -1.826 -0.457 1.00 0.00 C ATOM 1614 OG SER A 109 11.479 -1.920 0.344 1.00 0.00 O ATOM 0 H SER A 109 10.279 -0.761 1.771 1.00 0.00 H new ATOM 0 HA SER A 109 8.298 -1.162 -0.076 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.264 -2.678 -1.135 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.364 -0.930 -1.075 1.00 0.00 H new ATOM 0 HG SER A 109 12.271 -1.948 -0.233 1.00 0.00 H new ATOM 1620 N LEU A 110 8.806 -3.852 1.667 1.00 0.00 N ATOM 1621 CA LEU A 110 8.323 -5.206 1.918 1.00 0.00 C ATOM 1622 C LEU A 110 6.929 -5.199 2.532 1.00 0.00 C ATOM 1623 O LEU A 110 6.059 -5.960 2.114 1.00 0.00 O ATOM 1624 CB LEU A 110 9.275 -5.952 2.848 1.00 0.00 C ATOM 1625 CG LEU A 110 10.758 -5.696 2.611 1.00 0.00 C ATOM 1626 CD1 LEU A 110 11.550 -6.063 3.855 1.00 0.00 C ATOM 1627 CD2 LEU A 110 11.243 -6.483 1.401 1.00 0.00 C ATOM 0 H LEU A 110 9.400 -3.472 2.403 1.00 0.00 H new ATOM 0 HA LEU A 110 8.277 -5.714 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.037 -5.681 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.088 -7.021 2.749 1.00 0.00 H new ATOM 0 HG LEU A 110 10.911 -4.637 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 110 12.610 -5.878 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.210 -5.457 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.399 -7.118 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.304 -6.291 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.089 -7.548 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.683 -6.174 0.518 1.00 0.00 H new ATOM 1639 N ASP A 111 6.725 -4.342 3.534 1.00 0.00 N ATOM 1640 CA ASP A 111 5.455 -4.241 4.212 1.00 0.00 C ATOM 1641 C ASP A 111 4.312 -4.203 3.222 1.00 0.00 C ATOM 1642 O ASP A 111 3.900 -3.133 2.775 1.00 0.00 O ATOM 1643 CB ASP A 111 5.411 -2.984 5.087 1.00 0.00 C ATOM 1644 CG ASP A 111 6.451 -2.995 6.189 1.00 0.00 C ATOM 1645 OD1 ASP A 111 7.579 -2.521 5.946 1.00 0.00 O ATOM 1646 OD2 ASP A 111 6.135 -3.471 7.298 1.00 0.00 O ATOM 0 H ASP A 111 7.439 -3.706 3.889 1.00 0.00 H new ATOM 0 HA ASP A 111 5.346 -5.124 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 111 5.563 -2.106 4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.420 -2.891 5.531 1.00 0.00 H new ATOM 1651 N LEU A 112 3.770 -5.369 2.910 1.00 0.00 N ATOM 1652 CA LEU A 112 2.634 -5.443 2.009 1.00 0.00 C ATOM 1653 C LEU A 112 1.488 -4.611 2.590 1.00 0.00 C ATOM 1654 O LEU A 112 0.503 -4.315 1.913 1.00 0.00 O ATOM 1655 CB LEU A 112 2.216 -6.900 1.797 1.00 0.00 C ATOM 1656 CG LEU A 112 2.397 -7.817 3.013 1.00 0.00 C ATOM 1657 CD1 LEU A 112 1.155 -8.662 3.253 1.00 0.00 C ATOM 1658 CD2 LEU A 112 3.624 -8.713 2.849 1.00 0.00 C ATOM 0 H LEU A 112 4.095 -6.269 3.264 1.00 0.00 H new ATOM 0 HA LEU A 112 2.905 -5.038 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.167 -6.920 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.791 -7.308 0.966 1.00 0.00 H new ATOM 0 HG LEU A 112 2.551 -7.179 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.313 -9.302 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.300 -8.010 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.961 -9.281 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.728 -9.352 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.506 -9.333 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.515 -8.094 2.744 1.00 0.00 H new ATOM 1670 N ASN A 113 1.661 -4.221 3.857 1.00 0.00 N ATOM 1671 CA ASN A 113 0.718 -3.405 4.586 1.00 0.00 C ATOM 1672 C ASN A 113 1.206 -1.961 4.632 1.00 0.00 C ATOM 1673 O ASN A 113 0.426 -1.036 4.849 1.00 0.00 O ATOM 1674 CB ASN A 113 0.625 -3.939 6.006 1.00 0.00 C ATOM 1675 CG ASN A 113 -0.571 -4.844 6.217 1.00 0.00 C ATOM 1676 OD1 ASN A 113 -1.414 -4.590 7.077 1.00 0.00 O ATOM 1677 ND2 ASN A 113 -0.655 -5.908 5.428 1.00 0.00 N ATOM 0 H ASN A 113 2.482 -4.476 4.405 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.255 -3.438 4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.536 -4.488 6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.568 -3.101 6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.440 -6.552 5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.066 -6.082 4.728 1.00 0.00 H new ATOM 1684 N LYS A 114 2.519 -1.795 4.453 1.00 0.00 N ATOM 1685 CA LYS A 114 3.167 -0.491 4.491 1.00 0.00 C ATOM 1686 C LYS A 114 2.706 0.310 5.701 1.00 0.00 C ATOM 1687 O LYS A 114 2.415 1.501 5.602 1.00 0.00 O ATOM 1688 CB LYS A 114 2.908 0.286 3.199 1.00 0.00 C ATOM 1689 CG LYS A 114 1.461 0.697 3.013 1.00 0.00 C ATOM 1690 CD LYS A 114 0.771 -0.150 1.959 1.00 0.00 C ATOM 1691 CE LYS A 114 -0.481 0.532 1.443 1.00 0.00 C ATOM 1692 NZ LYS A 114 -0.206 1.358 0.234 1.00 0.00 N ATOM 0 H LYS A 114 3.161 -2.568 4.277 1.00 0.00 H new ATOM 0 HA LYS A 114 4.241 -0.654 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.534 1.179 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.214 -0.326 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.931 0.603 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.415 1.747 2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.456 -0.334 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.512 -1.121 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.233 -0.221 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.899 1.164 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.240 2.366 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.737 1.126 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.923 1.159 -0.493 1.00 0.00 H new ATOM 1706 N ASP A 115 2.655 -0.359 6.850 1.00 0.00 N ATOM 1707 CA ASP A 115 2.240 0.286 8.087 1.00 0.00 C ATOM 1708 C ASP A 115 3.395 1.084 8.689 1.00 0.00 C ATOM 1709 O ASP A 115 3.184 1.955 9.534 1.00 0.00 O ATOM 1710 CB ASP A 115 1.723 -0.757 9.086 1.00 0.00 C ATOM 1711 CG ASP A 115 1.375 -0.152 10.432 1.00 0.00 C ATOM 1712 OD1 ASP A 115 0.334 0.533 10.524 1.00 0.00 O ATOM 1713 OD2 ASP A 115 2.143 -0.362 11.394 1.00 0.00 O ATOM 0 H ASP A 115 2.896 -1.345 6.948 1.00 0.00 H new ATOM 0 HA ASP A 115 1.429 0.978 7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 115 0.841 -1.245 8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.480 -1.529 9.224 1.00 0.00 H new ATOM 1718 N GLY A 116 4.617 0.784 8.249 1.00 0.00 N ATOM 1719 CA GLY A 116 5.780 1.490 8.759 1.00 0.00 C ATOM 1720 C GLY A 116 6.581 0.648 9.727 1.00 0.00 C ATOM 1721 O GLY A 116 7.237 1.170 10.626 1.00 0.00 O ATOM 0 H GLY A 116 4.820 0.068 7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.417 1.787 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.458 2.405 9.256 1.00 0.00 H new ATOM 1725 N SER A 117 6.517 -0.662 9.541 1.00 0.00 N ATOM 1726 CA SER A 117 7.228 -1.602 10.400 1.00 0.00 C ATOM 1727 C SER A 117 7.022 -3.017 9.910 1.00 0.00 C ATOM 1728 O SER A 117 5.898 -3.518 9.883 1.00 0.00 O ATOM 1729 CB SER A 117 6.740 -1.490 11.850 1.00 0.00 C ATOM 1730 OG SER A 117 5.750 -0.486 11.987 1.00 0.00 O ATOM 0 H SER A 117 5.976 -1.103 8.797 1.00 0.00 H new ATOM 0 HA SER A 117 8.289 -1.356 10.364 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.335 -2.449 12.174 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.583 -1.263 12.503 1.00 0.00 H new ATOM 0 HG SER A 117 6.158 0.329 12.347 1.00 0.00 H new ATOM 1736 N ILE A 118 8.108 -3.670 9.541 1.00 0.00 N ATOM 1737 CA ILE A 118 8.023 -5.032 9.078 1.00 0.00 C ATOM 1738 C ILE A 118 7.587 -5.930 10.221 1.00 0.00 C ATOM 1739 O ILE A 118 8.353 -6.260 11.119 1.00 0.00 O ATOM 1740 CB ILE A 118 9.354 -5.501 8.464 1.00 0.00 C ATOM 1741 CG1 ILE A 118 9.508 -4.902 7.070 1.00 0.00 C ATOM 1742 CG2 ILE A 118 9.419 -7.015 8.387 1.00 0.00 C ATOM 1743 CD1 ILE A 118 8.362 -5.257 6.147 1.00 0.00 C ATOM 0 H ILE A 118 9.050 -3.279 9.554 1.00 0.00 H new ATOM 0 HA ILE A 118 7.277 -5.089 8.286 1.00 0.00 H new ATOM 0 HB ILE A 118 10.169 -5.162 9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.579 -3.817 7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.443 -5.251 6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.371 -7.317 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.332 -7.434 9.389 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.601 -7.383 7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.527 -4.803 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.304 -6.340 6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.428 -4.884 6.567 1.00 0.00 H new ATOM 1755 N ASP A 119 6.326 -6.286 10.190 1.00 0.00 N ATOM 1756 CA ASP A 119 5.747 -7.121 11.235 1.00 0.00 C ATOM 1757 C ASP A 119 4.843 -8.212 10.657 1.00 0.00 C ATOM 1758 O ASP A 119 5.087 -8.715 9.566 1.00 0.00 O ATOM 1759 CB ASP A 119 4.992 -6.245 12.237 1.00 0.00 C ATOM 1760 CG ASP A 119 5.083 -6.776 13.655 1.00 0.00 C ATOM 1761 OD1 ASP A 119 6.162 -7.277 14.034 1.00 0.00 O ATOM 1762 OD2 ASP A 119 4.073 -6.690 14.386 1.00 0.00 O ATOM 0 H ASP A 119 5.673 -6.014 9.455 1.00 0.00 H new ATOM 0 HA ASP A 119 6.558 -7.632 11.754 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.394 -5.232 12.205 1.00 0.00 H new ATOM 0 HB3 ASP A 119 3.944 -6.182 11.943 1.00 0.00 H new ATOM 1767 N GLU A 120 3.806 -8.582 11.402 1.00 0.00 N ATOM 1768 CA GLU A 120 2.884 -9.625 10.966 1.00 0.00 C ATOM 1769 C GLU A 120 2.041 -9.178 9.773 1.00 0.00 C ATOM 1770 O GLU A 120 1.690 -9.987 8.918 1.00 0.00 O ATOM 1771 CB GLU A 120 1.968 -10.035 12.121 1.00 0.00 C ATOM 1772 CG GLU A 120 2.649 -10.918 13.153 1.00 0.00 C ATOM 1773 CD GLU A 120 1.662 -11.748 13.951 1.00 0.00 C ATOM 1774 OE1 GLU A 120 0.578 -12.060 13.415 1.00 0.00 O ATOM 1775 OE2 GLU A 120 1.972 -12.086 15.112 1.00 0.00 O ATOM 0 H GLU A 120 3.583 -8.175 12.310 1.00 0.00 H new ATOM 0 HA GLU A 120 3.483 -10.479 10.651 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.594 -9.137 12.613 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.103 -10.562 11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 120 3.353 -11.581 12.651 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.228 -10.295 13.834 1.00 0.00 H new ATOM 1782 N TYR A 121 1.711 -7.893 9.724 1.00 0.00 N ATOM 1783 CA TYR A 121 0.896 -7.354 8.638 1.00 0.00 C ATOM 1784 C TYR A 121 1.455 -7.743 7.281 1.00 0.00 C ATOM 1785 O TYR A 121 0.708 -7.853 6.309 1.00 0.00 O ATOM 1786 CB TYR A 121 0.758 -5.824 8.718 1.00 0.00 C ATOM 1787 CG TYR A 121 1.382 -5.182 9.936 1.00 0.00 C ATOM 1788 CD1 TYR A 121 0.842 -5.365 11.203 1.00 0.00 C ATOM 1789 CD2 TYR A 121 2.507 -4.384 9.811 1.00 0.00 C ATOM 1790 CE1 TYR A 121 1.411 -4.769 12.312 1.00 0.00 C ATOM 1791 CE2 TYR A 121 3.083 -3.784 10.914 1.00 0.00 C ATOM 1792 CZ TYR A 121 2.531 -3.979 12.163 1.00 0.00 C ATOM 1793 OH TYR A 121 3.101 -3.384 13.264 1.00 0.00 O ATOM 0 H TYR A 121 1.994 -7.205 10.421 1.00 0.00 H new ATOM 0 HA TYR A 121 -0.095 -7.792 8.755 1.00 0.00 H new ATOM 0 HB2 TYR A 121 1.209 -5.388 7.827 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.302 -5.570 8.696 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.036 -5.983 11.323 1.00 0.00 H new ATOM 0 HD2 TYR A 121 2.941 -4.228 8.835 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.981 -4.921 13.291 1.00 0.00 H new ATOM 0 HE2 TYR A 121 3.961 -3.166 10.799 1.00 0.00 H new ATOM 0 HH TYR A 121 3.883 -2.863 12.986 1.00 0.00 H new ATOM 1803 N GLU A 122 2.762 -7.949 7.202 1.00 0.00 N ATOM 1804 CA GLU A 122 3.361 -8.317 5.929 1.00 0.00 C ATOM 1805 C GLU A 122 3.458 -9.831 5.764 1.00 0.00 C ATOM 1806 O GLU A 122 2.667 -10.443 5.048 1.00 0.00 O ATOM 1807 CB GLU A 122 4.752 -7.682 5.751 1.00 0.00 C ATOM 1808 CG GLU A 122 5.304 -7.002 6.991 1.00 0.00 C ATOM 1809 CD GLU A 122 4.579 -5.714 7.321 1.00 0.00 C ATOM 1810 OE1 GLU A 122 3.801 -5.233 6.471 1.00 0.00 O ATOM 1811 OE2 GLU A 122 4.791 -5.185 8.431 1.00 0.00 O ATOM 0 H GLU A 122 3.413 -7.870 7.983 1.00 0.00 H new ATOM 0 HA GLU A 122 2.700 -7.929 5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.452 -8.456 5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.702 -6.951 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.229 -7.684 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.363 -6.791 6.844 1.00 0.00 H new ATOM 1818 N ILE A 123 4.441 -10.418 6.423 1.00 0.00 N ATOM 1819 CA ILE A 123 4.673 -11.862 6.358 1.00 0.00 C ATOM 1820 C ILE A 123 3.374 -12.656 6.472 1.00 0.00 C ATOM 1821 O ILE A 123 3.279 -13.767 5.957 1.00 0.00 O ATOM 1822 CB ILE A 123 5.652 -12.358 7.449 1.00 0.00 C ATOM 1823 CG1 ILE A 123 5.614 -11.447 8.691 1.00 0.00 C ATOM 1824 CG2 ILE A 123 7.058 -12.460 6.877 1.00 0.00 C ATOM 1825 CD1 ILE A 123 6.800 -10.508 8.821 1.00 0.00 C ATOM 0 H ILE A 123 5.101 -9.916 7.017 1.00 0.00 H new ATOM 0 HA ILE A 123 5.120 -12.035 5.379 1.00 0.00 H new ATOM 0 HB ILE A 123 5.338 -13.351 7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.699 -10.855 8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.562 -12.072 9.583 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.741 -12.810 7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.062 -13.164 6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.380 -11.480 6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.690 -9.905 9.723 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.720 -11.090 8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.843 -9.854 7.950 1.00 0.00 H new ATOM 1837 N SER A 124 2.378 -12.084 7.151 1.00 0.00 N ATOM 1838 CA SER A 124 1.085 -12.749 7.334 1.00 0.00 C ATOM 1839 C SER A 124 0.636 -13.471 6.067 1.00 0.00 C ATOM 1840 O SER A 124 -0.055 -14.488 6.132 1.00 0.00 O ATOM 1841 CB SER A 124 0.018 -11.735 7.753 1.00 0.00 C ATOM 1842 OG SER A 124 -0.094 -11.669 9.164 1.00 0.00 O ATOM 0 H SER A 124 2.441 -11.162 7.583 1.00 0.00 H new ATOM 0 HA SER A 124 1.211 -13.492 8.121 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.272 -10.751 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 124 -0.943 -12.014 7.321 1.00 0.00 H new ATOM 0 HG SER A 124 -0.725 -10.961 9.409 1.00 0.00 H new ATOM 1848 N PHE A 125 1.029 -12.938 4.919 1.00 0.00 N ATOM 1849 CA PHE A 125 0.667 -13.525 3.638 1.00 0.00 C ATOM 1850 C PHE A 125 1.517 -14.754 3.330 1.00 0.00 C ATOM 1851 O PHE A 125 1.015 -15.877 3.289 1.00 0.00 O ATOM 1852 CB PHE A 125 0.837 -12.490 2.527 1.00 0.00 C ATOM 1853 CG PHE A 125 0.668 -13.052 1.146 1.00 0.00 C ATOM 1854 CD1 PHE A 125 -0.493 -13.720 0.791 1.00 0.00 C ATOM 1855 CD2 PHE A 125 1.675 -12.917 0.204 1.00 0.00 C ATOM 1856 CE1 PHE A 125 -0.648 -14.241 -0.479 1.00 0.00 C ATOM 1857 CE2 PHE A 125 1.525 -13.438 -1.067 1.00 0.00 C ATOM 1858 CZ PHE A 125 0.362 -14.101 -1.409 1.00 0.00 C ATOM 0 H PHE A 125 1.601 -12.096 4.849 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.376 -13.838 3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.112 -11.689 2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.827 -12.042 2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.286 -13.835 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 125 2.586 -12.399 0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.559 -14.757 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 125 2.317 -13.327 -1.793 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.244 -14.509 -2.402 1.00 0.00 H new ATOM 1868 N ILE A 126 2.805 -14.529 3.099 1.00 0.00 N ATOM 1869 CA ILE A 126 3.729 -15.612 2.775 1.00 0.00 C ATOM 1870 C ILE A 126 3.932 -16.560 3.955 1.00 0.00 C ATOM 1871 O ILE A 126 4.475 -17.652 3.791 1.00 0.00 O ATOM 1872 CB ILE A 126 5.093 -15.061 2.310 1.00 0.00 C ATOM 1873 CG1 ILE A 126 4.898 -14.004 1.219 1.00 0.00 C ATOM 1874 CG2 ILE A 126 5.974 -16.191 1.798 1.00 0.00 C ATOM 1875 CD1 ILE A 126 6.040 -13.013 1.121 1.00 0.00 C ATOM 0 H ILE A 126 3.235 -13.605 3.130 1.00 0.00 H new ATOM 0 HA ILE A 126 3.277 -16.175 1.959 1.00 0.00 H new ATOM 0 HB ILE A 126 5.586 -14.594 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.779 -14.504 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.973 -13.461 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 126 6.933 -15.786 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 126 6.137 -16.915 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.484 -16.682 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.832 -12.295 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.146 -12.485 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.965 -13.545 0.896 1.00 0.00 H new ATOM 1887 N ASN A 127 3.490 -16.151 5.142 1.00 0.00 N ATOM 1888 CA ASN A 127 3.628 -16.987 6.332 1.00 0.00 C ATOM 1889 C ASN A 127 2.996 -18.357 6.106 1.00 0.00 C ATOM 1890 O ASN A 127 3.595 -19.387 6.417 1.00 0.00 O ATOM 1891 CB ASN A 127 2.981 -16.310 7.544 1.00 0.00 C ATOM 1892 CG ASN A 127 3.956 -16.126 8.690 1.00 0.00 C ATOM 1893 OD1 ASN A 127 3.627 -16.384 9.849 1.00 0.00 O ATOM 1894 ND2 ASN A 127 5.165 -15.676 8.374 1.00 0.00 N ATOM 0 H ASN A 127 3.036 -15.252 5.305 1.00 0.00 H new ATOM 0 HA ASN A 127 4.692 -17.120 6.528 1.00 0.00 H new ATOM 0 HB2 ASN A 127 2.586 -15.339 7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 127 2.135 -16.908 7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 127 5.862 -15.532 9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 127 5.396 -15.475 7.401 1.00 0.00 H new ATOM 1901 N HIS A 128 1.784 -18.362 5.561 1.00 0.00 N ATOM 1902 CA HIS A 128 1.072 -19.605 5.292 1.00 0.00 C ATOM 1903 C HIS A 128 1.333 -20.086 3.868 1.00 0.00 C ATOM 1904 O HIS A 128 1.569 -21.272 3.638 1.00 0.00 O ATOM 1905 CB HIS A 128 -0.431 -19.419 5.517 1.00 0.00 C ATOM 1906 CG HIS A 128 -1.069 -18.467 4.552 1.00 0.00 C ATOM 1907 ND1 HIS A 128 -1.100 -17.114 4.532 1.00 0.00 N flip ATOM 1908 CD2 HIS A 128 -1.782 -18.881 3.446 1.00 0.00 C flip ATOM 1909 CE1 HIS A 128 -1.824 -16.739 3.427 1.00 0.00 C flip ATOM 1910 NE2 HIS A 128 -2.224 -17.823 2.789 1.00 0.00 N flip ATOM 0 H HIS A 128 1.275 -17.519 5.297 1.00 0.00 H new ATOM 0 HA HIS A 128 1.442 -20.362 5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.924 -20.388 5.438 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -0.596 -19.059 6.532 1.00 0.00 H new ATOM 0 HD1 HIS A 128 -0.666 -16.489 5.211 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -1.952 -19.909 3.162 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -2.032 -15.722 3.128 1.00 0.00 H new ATOM 1919 N ARG A 129 1.295 -19.157 2.915 1.00 0.00 N ATOM 1920 CA ARG A 129 1.534 -19.489 1.512 1.00 0.00 C ATOM 1921 C ARG A 129 2.809 -20.315 1.363 1.00 0.00 C ATOM 1922 O ARG A 129 2.936 -21.124 0.443 1.00 0.00 O ATOM 1923 CB ARG A 129 1.637 -18.214 0.675 1.00 0.00 C ATOM 1924 CG ARG A 129 1.423 -18.445 -0.813 1.00 0.00 C ATOM 1925 CD ARG A 129 -0.012 -18.845 -1.116 1.00 0.00 C ATOM 1926 NE ARG A 129 -0.082 -20.010 -1.995 1.00 0.00 N ATOM 1927 CZ ARG A 129 0.275 -19.994 -3.277 1.00 0.00 C ATOM 1928 NH1 ARG A 129 0.725 -18.876 -3.834 1.00 0.00 N ATOM 1929 NH2 ARG A 129 0.180 -21.098 -4.005 1.00 0.00 N ATOM 0 H ARG A 129 1.101 -18.171 3.088 1.00 0.00 H new ATOM 0 HA ARG A 129 0.692 -20.081 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 129 0.901 -17.494 1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.620 -17.767 0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.672 -17.537 -1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.100 -19.225 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -0.532 -19.063 -0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -0.531 -18.007 -1.582 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.425 -20.887 -1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.799 -18.023 -3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.997 -18.870 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.167 -21.959 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.454 -21.086 -4.988 1.00 0.00 H new ATOM 1943 N ILE A 130 3.746 -20.108 2.283 1.00 0.00 N ATOM 1944 CA ILE A 130 5.011 -20.831 2.274 1.00 0.00 C ATOM 1945 C ILE A 130 4.771 -22.341 2.293 1.00 0.00 C ATOM 1946 O ILE A 130 4.984 -23.027 1.294 1.00 0.00 O ATOM 1947 CB ILE A 130 5.880 -20.425 3.487 1.00 0.00 C ATOM 1948 CG1 ILE A 130 6.677 -19.161 3.174 1.00 0.00 C ATOM 1949 CG2 ILE A 130 6.821 -21.551 3.903 1.00 0.00 C ATOM 1950 CD1 ILE A 130 7.045 -18.368 4.408 1.00 0.00 C ATOM 0 H ILE A 130 3.651 -19.441 3.049 1.00 0.00 H new ATOM 0 HA ILE A 130 5.540 -20.570 1.357 1.00 0.00 H new ATOM 0 HB ILE A 130 5.208 -20.224 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 130 7.588 -19.436 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 130 6.095 -18.529 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 130 7.416 -21.231 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 130 6.238 -22.430 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 130 7.482 -21.798 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 130 7.610 -17.483 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 130 6.137 -18.064 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.653 -18.985 5.069 1.00 0.00 H new