USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 770 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 34 HIS : no HD1:sc= -0.017 K(o=-2.5,f=-3.6) USER MOD Set 1.2: A 39 MET CE :methyl 167:sc= -1.06 (180deg=-1.19) USER MOD Set 1.3: B 39 MET CE :methyl 173:sc= -1.38 (180deg=-1.33) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 150:sc= 0.299 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.058 USER MOD Single : A 11 SER OG : rot -170:sc= 0.0109 USER MOD Single : A 17 MET CE :methyl 180:sc=-0.00476 (180deg=-0.00476) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0326 X(o=-0.033,f=-0.033) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 27 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.18) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 36 ASN : amide:sc= -0.953 K(o=-0.95,f=-8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 48 SER OG : rot 171:sc= 0.0964 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 48:sc= 0.00395 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 SER OG : rot 180:sc= 0.0411 USER MOD Single : B 11 SER OG : rot 180:sc= 0.0038 USER MOD Single : B 17 MET CE :methyl -157:sc= 0 (180deg=-0.18) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.468 X(o=-0.47,f=0) USER MOD Single : B 21 TYR OH : rot -68:sc= 0.11 USER MOD Single : B 22 SER OG : rot 180:sc= 0.0018 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : B 27 GLN : amide:sc= -0.0502 X(o=-0.05,f=-0.048) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.045) USER MOD Single : B 35 ASN : amide:sc= -0.0235 K(o=-0.023,f=-1.6!) USER MOD Single : B 36 ASN : amide:sc= -0.396 K(o=-0.4,f=-11!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 48 SER OG : rot -144:sc= 1.2 USER MOD Single : B 51 SER OG : rot 105:sc= 0.134 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.791 0.944 -10.433 1.00 0.00 N ATOM 2 CA GLY A 1 -17.876 0.958 -11.901 1.00 0.00 C ATOM 3 C GLY A 1 -19.330 0.973 -12.337 1.00 0.00 C ATOM 4 O GLY A 1 -19.972 -0.075 -12.269 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.792 0.934 -10.143 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.254 1.793 -10.050 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.267 0.095 -10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.361 1.834 -12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.374 0.082 -12.311 1.00 0.00 H new ATOM 8 N SER A 2 -19.844 2.119 -12.802 1.00 0.00 N ATOM 9 CA SER A 2 -21.224 2.335 -13.250 1.00 0.00 C ATOM 10 C SER A 2 -22.142 2.466 -12.032 1.00 0.00 C ATOM 11 O SER A 2 -22.214 1.549 -11.211 1.00 0.00 O ATOM 12 CB SER A 2 -21.715 1.247 -14.230 1.00 0.00 C ATOM 13 OG SER A 2 -22.194 1.831 -15.423 1.00 0.00 O ATOM 0 H SER A 2 -19.278 2.964 -12.879 1.00 0.00 H new ATOM 0 HA SER A 2 -21.252 3.266 -13.817 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.900 0.560 -14.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.506 0.660 -13.763 1.00 0.00 H new ATOM 0 HG SER A 2 -22.499 1.127 -16.032 1.00 0.00 H new ATOM 19 N SER A 3 -22.785 3.626 -11.873 1.00 0.00 N ATOM 20 CA SER A 3 -23.692 3.912 -10.767 1.00 0.00 C ATOM 21 C SER A 3 -24.702 4.974 -11.200 1.00 0.00 C ATOM 22 O SER A 3 -24.383 5.813 -12.050 1.00 0.00 O ATOM 23 CB SER A 3 -22.919 4.454 -9.548 1.00 0.00 C ATOM 24 OG SER A 3 -21.593 3.959 -9.448 1.00 0.00 O ATOM 0 H SER A 3 -22.685 4.405 -12.524 1.00 0.00 H new ATOM 0 HA SER A 3 -24.196 2.985 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.888 5.542 -9.603 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.463 4.196 -8.640 1.00 0.00 H new ATOM 0 HG SER A 3 -21.025 4.630 -9.014 1.00 0.00 H new ATOM 30 N GLY A 4 -25.897 4.963 -10.612 1.00 0.00 N ATOM 31 CA GLY A 4 -26.938 5.937 -10.912 1.00 0.00 C ATOM 32 C GLY A 4 -26.669 7.171 -10.060 1.00 0.00 C ATOM 33 O GLY A 4 -26.520 8.280 -10.577 1.00 0.00 O ATOM 0 H GLY A 4 -26.169 4.274 -9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.930 6.193 -11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.923 5.526 -10.691 1.00 0.00 H new ATOM 37 N SER A 5 -26.540 6.986 -8.748 1.00 0.00 N ATOM 38 CA SER A 5 -26.262 8.039 -7.780 1.00 0.00 C ATOM 39 C SER A 5 -24.826 7.898 -7.257 1.00 0.00 C ATOM 40 O SER A 5 -24.113 6.954 -7.610 1.00 0.00 O ATOM 41 CB SER A 5 -27.301 7.984 -6.658 1.00 0.00 C ATOM 42 OG SER A 5 -28.625 7.895 -7.166 1.00 0.00 O ATOM 0 H SER A 5 -26.630 6.066 -8.317 1.00 0.00 H new ATOM 0 HA SER A 5 -26.338 9.019 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.099 7.125 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.210 8.874 -6.035 1.00 0.00 H new ATOM 0 HG SER A 5 -29.260 7.860 -6.420 1.00 0.00 H new ATOM 48 N SER A 6 -24.390 8.849 -6.435 1.00 0.00 N ATOM 49 CA SER A 6 -23.061 8.915 -5.832 1.00 0.00 C ATOM 50 C SER A 6 -23.194 9.044 -4.308 1.00 0.00 C ATOM 51 O SER A 6 -24.316 9.138 -3.794 1.00 0.00 O ATOM 52 CB SER A 6 -22.315 10.103 -6.455 1.00 0.00 C ATOM 53 OG SER A 6 -22.310 10.034 -7.876 1.00 0.00 O ATOM 0 H SER A 6 -24.982 9.632 -6.158 1.00 0.00 H new ATOM 0 HA SER A 6 -22.491 8.007 -6.026 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.784 11.034 -6.137 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.289 10.121 -6.088 1.00 0.00 H new ATOM 0 HG SER A 6 -21.828 10.806 -8.239 1.00 0.00 H new ATOM 59 N GLY A 7 -22.082 9.082 -3.576 1.00 0.00 N ATOM 60 CA GLY A 7 -22.113 9.193 -2.129 1.00 0.00 C ATOM 61 C GLY A 7 -20.726 9.398 -1.539 1.00 0.00 C ATOM 62 O GLY A 7 -19.743 9.621 -2.260 1.00 0.00 O ATOM 0 H GLY A 7 -21.143 9.037 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.754 10.027 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.556 8.291 -1.706 1.00 0.00 H new ATOM 66 N GLN A 8 -20.670 9.390 -0.209 1.00 0.00 N ATOM 67 CA GLN A 8 -19.456 9.551 0.579 1.00 0.00 C ATOM 68 C GLN A 8 -18.574 8.313 0.420 1.00 0.00 C ATOM 69 O GLN A 8 -19.024 7.275 -0.068 1.00 0.00 O ATOM 70 CB GLN A 8 -19.836 9.701 2.063 1.00 0.00 C ATOM 71 CG GLN A 8 -20.617 10.990 2.337 1.00 0.00 C ATOM 72 CD GLN A 8 -20.979 11.133 3.811 1.00 0.00 C ATOM 73 OE1 GLN A 8 -22.134 10.991 4.192 1.00 0.00 O ATOM 74 NE2 GLN A 8 -20.021 11.425 4.675 1.00 0.00 N ATOM 0 H GLN A 8 -21.502 9.266 0.369 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.916 10.434 0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.435 8.844 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -18.931 9.692 2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -20.022 11.848 2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -21.527 10.997 1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -19.061 11.542 4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -20.242 11.533 5.665 1.00 0.00 H new ATOM 83 N LEU A 9 -17.328 8.381 0.901 1.00 0.00 N ATOM 84 CA LEU A 9 -16.415 7.237 0.828 1.00 0.00 C ATOM 85 C LEU A 9 -16.994 6.068 1.632 1.00 0.00 C ATOM 86 O LEU A 9 -16.687 4.916 1.341 1.00 0.00 O ATOM 87 CB LEU A 9 -14.995 7.606 1.286 1.00 0.00 C ATOM 88 CG LEU A 9 -14.136 8.104 0.109 1.00 0.00 C ATOM 89 CD1 LEU A 9 -14.712 9.349 -0.563 1.00 0.00 C ATOM 90 CD2 LEU A 9 -12.717 8.407 0.581 1.00 0.00 C ATOM 0 H LEU A 9 -16.931 9.211 1.342 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.323 6.929 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.048 8.379 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.521 6.737 1.742 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.130 7.301 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.063 9.652 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.707 9.127 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.778 10.158 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.121 8.758 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.747 9.178 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.269 7.502 0.991 1.00 0.00 H new ATOM 102 N SER A 10 -17.876 6.349 2.593 1.00 0.00 N ATOM 103 CA SER A 10 -18.553 5.374 3.427 1.00 0.00 C ATOM 104 C SER A 10 -19.318 4.370 2.553 1.00 0.00 C ATOM 105 O SER A 10 -19.357 3.175 2.857 1.00 0.00 O ATOM 106 CB SER A 10 -19.522 6.126 4.347 1.00 0.00 C ATOM 107 OG SER A 10 -18.965 7.353 4.796 1.00 0.00 O ATOM 0 H SER A 10 -18.145 7.308 2.815 1.00 0.00 H new ATOM 0 HA SER A 10 -17.828 4.818 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.453 6.321 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.769 5.502 5.205 1.00 0.00 H new ATOM 0 HG SER A 10 -19.607 7.810 5.379 1.00 0.00 H new ATOM 113 N SER A 11 -19.892 4.855 1.449 1.00 0.00 N ATOM 114 CA SER A 11 -20.655 4.087 0.486 1.00 0.00 C ATOM 115 C SER A 11 -19.751 3.197 -0.377 1.00 0.00 C ATOM 116 O SER A 11 -20.221 2.218 -0.955 1.00 0.00 O ATOM 117 CB SER A 11 -21.435 5.081 -0.392 1.00 0.00 C ATOM 118 OG SER A 11 -21.961 6.167 0.362 1.00 0.00 O ATOM 0 H SER A 11 -19.829 5.842 1.199 1.00 0.00 H new ATOM 0 HA SER A 11 -21.338 3.419 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.779 5.467 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.251 4.559 -0.892 1.00 0.00 H new ATOM 0 HG SER A 11 -22.576 6.686 -0.197 1.00 0.00 H new ATOM 124 N GLU A 12 -18.464 3.528 -0.500 1.00 0.00 N ATOM 125 CA GLU A 12 -17.497 2.774 -1.292 1.00 0.00 C ATOM 126 C GLU A 12 -17.005 1.579 -0.464 1.00 0.00 C ATOM 127 O GLU A 12 -16.745 0.517 -1.027 1.00 0.00 O ATOM 128 CB GLU A 12 -16.306 3.668 -1.685 1.00 0.00 C ATOM 129 CG GLU A 12 -16.647 5.036 -2.307 1.00 0.00 C ATOM 130 CD GLU A 12 -17.106 4.983 -3.763 1.00 0.00 C ATOM 131 OE1 GLU A 12 -17.741 3.997 -4.201 1.00 0.00 O ATOM 132 OE2 GLU A 12 -16.850 5.948 -4.523 1.00 0.00 O ATOM 0 H GLU A 12 -18.059 4.344 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.974 2.422 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.700 3.840 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.685 3.117 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.430 5.505 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.769 5.678 -2.241 1.00 0.00 H new ATOM 139 N ILE A 13 -16.906 1.724 0.870 1.00 0.00 N ATOM 140 CA ILE A 13 -16.473 0.658 1.788 1.00 0.00 C ATOM 141 C ILE A 13 -17.437 -0.517 1.586 1.00 0.00 C ATOM 142 O ILE A 13 -17.022 -1.671 1.518 1.00 0.00 O ATOM 143 CB ILE A 13 -16.451 1.167 3.256 1.00 0.00 C ATOM 144 CG1 ILE A 13 -15.464 2.347 3.418 1.00 0.00 C ATOM 145 CG2 ILE A 13 -16.109 0.076 4.302 1.00 0.00 C ATOM 146 CD1 ILE A 13 -15.640 3.099 4.740 1.00 0.00 C ATOM 0 H ILE A 13 -17.128 2.598 1.346 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.453 0.338 1.576 1.00 0.00 H new ATOM 0 HB ILE A 13 -17.472 1.492 3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.443 1.971 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.600 3.043 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.115 0.514 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.850 -0.721 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.121 -0.333 4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.919 3.915 4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -16.651 3.504 4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -15.476 2.415 5.572 1.00 0.00 H new ATOM 158 N GLU A 14 -18.731 -0.216 1.464 1.00 0.00 N ATOM 159 CA GLU A 14 -19.786 -1.194 1.243 1.00 0.00 C ATOM 160 C GLU A 14 -19.546 -1.945 -0.073 1.00 0.00 C ATOM 161 O GLU A 14 -19.745 -3.160 -0.133 1.00 0.00 O ATOM 162 CB GLU A 14 -21.130 -0.462 1.163 1.00 0.00 C ATOM 163 CG GLU A 14 -21.592 0.140 2.493 1.00 0.00 C ATOM 164 CD GLU A 14 -22.264 -0.918 3.354 1.00 0.00 C ATOM 165 OE1 GLU A 14 -23.402 -1.314 3.035 1.00 0.00 O ATOM 166 OE2 GLU A 14 -21.595 -1.442 4.286 1.00 0.00 O ATOM 0 H GLU A 14 -19.078 0.741 1.518 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.791 -1.910 2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -21.055 0.334 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.890 -1.158 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.738 0.561 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -22.286 0.959 2.306 1.00 0.00 H new ATOM 173 N ARG A 15 -19.128 -1.245 -1.138 1.00 0.00 N ATOM 174 CA ARG A 15 -18.886 -1.899 -2.423 1.00 0.00 C ATOM 175 C ARG A 15 -17.630 -2.755 -2.356 1.00 0.00 C ATOM 176 O ARG A 15 -17.546 -3.769 -3.049 1.00 0.00 O ATOM 177 CB ARG A 15 -18.836 -0.877 -3.571 1.00 0.00 C ATOM 178 CG ARG A 15 -20.238 -0.312 -3.854 1.00 0.00 C ATOM 179 CD ARG A 15 -20.349 0.355 -5.230 1.00 0.00 C ATOM 180 NE ARG A 15 -19.878 1.746 -5.232 1.00 0.00 N ATOM 181 CZ ARG A 15 -20.372 2.742 -5.978 1.00 0.00 C ATOM 182 NH1 ARG A 15 -21.281 2.547 -6.925 1.00 0.00 N ATOM 183 NH2 ARG A 15 -19.931 3.972 -5.778 1.00 0.00 N ATOM 0 H ARG A 15 -18.954 -0.240 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.723 -2.563 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -18.156 -0.065 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.441 -1.350 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.969 -1.118 -3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.493 0.415 -3.083 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.771 -0.220 -5.954 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -21.388 0.328 -5.558 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.104 1.974 -4.608 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -21.632 1.607 -7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.629 3.337 -7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -19.225 4.151 -5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.297 4.742 -6.338 1.00 0.00 H new ATOM 197 N LEU A 16 -16.648 -2.395 -1.530 1.00 0.00 N ATOM 198 CA LEU A 16 -15.424 -3.177 -1.399 1.00 0.00 C ATOM 199 C LEU A 16 -15.723 -4.519 -0.740 1.00 0.00 C ATOM 200 O LEU A 16 -15.115 -5.518 -1.117 1.00 0.00 O ATOM 201 CB LEU A 16 -14.367 -2.393 -0.621 1.00 0.00 C ATOM 202 CG LEU A 16 -13.704 -1.333 -1.509 1.00 0.00 C ATOM 203 CD1 LEU A 16 -13.022 -0.271 -0.654 1.00 0.00 C ATOM 204 CD2 LEU A 16 -12.671 -1.980 -2.437 1.00 0.00 C ATOM 0 H LEU A 16 -16.679 -1.563 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 16 -15.022 -3.374 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.828 -1.913 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.610 -3.077 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.481 -0.863 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.557 0.473 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.762 0.214 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.259 -0.739 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.211 -1.213 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.903 -2.472 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.163 -2.716 -3.072 1.00 0.00 H new ATOM 216 N MET A 17 -16.682 -4.579 0.190 1.00 0.00 N ATOM 217 CA MET A 17 -17.043 -5.837 0.845 1.00 0.00 C ATOM 218 C MET A 17 -17.541 -6.846 -0.197 1.00 0.00 C ATOM 219 O MET A 17 -17.338 -8.053 -0.043 1.00 0.00 O ATOM 220 CB MET A 17 -18.138 -5.597 1.891 1.00 0.00 C ATOM 221 CG MET A 17 -17.649 -4.737 3.052 1.00 0.00 C ATOM 222 SD MET A 17 -18.967 -4.335 4.227 1.00 0.00 S ATOM 223 CE MET A 17 -17.956 -3.691 5.574 1.00 0.00 C ATOM 0 H MET A 17 -17.220 -3.772 0.504 1.00 0.00 H new ATOM 0 HA MET A 17 -16.159 -6.237 1.341 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.991 -5.112 1.416 1.00 0.00 H new ATOM 0 HB3 MET A 17 -18.488 -6.556 2.274 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.849 -5.261 3.575 1.00 0.00 H new ATOM 0 HG3 MET A 17 -17.223 -3.813 2.660 1.00 0.00 H new ATOM 0 HE1 MET A 17 -18.600 -3.388 6.400 1.00 0.00 H new ATOM 0 HE2 MET A 17 -17.269 -4.465 5.915 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.387 -2.830 5.223 1.00 0.00 H new ATOM 233 N SER A 18 -18.172 -6.357 -1.269 1.00 0.00 N ATOM 234 CA SER A 18 -18.704 -7.159 -2.364 1.00 0.00 C ATOM 235 C SER A 18 -17.579 -7.817 -3.179 1.00 0.00 C ATOM 236 O SER A 18 -17.845 -8.758 -3.931 1.00 0.00 O ATOM 237 CB SER A 18 -19.558 -6.261 -3.273 1.00 0.00 C ATOM 238 OG SER A 18 -20.589 -6.987 -3.908 1.00 0.00 O ATOM 0 H SER A 18 -18.329 -5.358 -1.398 1.00 0.00 H new ATOM 0 HA SER A 18 -19.316 -7.958 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 18 -19.992 -5.454 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 18 -18.922 -5.798 -4.027 1.00 0.00 H new ATOM 0 HG SER A 18 -21.112 -6.384 -4.476 1.00 0.00 H new ATOM 244 N GLN A 19 -16.336 -7.337 -3.061 1.00 0.00 N ATOM 245 CA GLN A 19 -15.172 -7.868 -3.762 1.00 0.00 C ATOM 246 C GLN A 19 -14.434 -8.899 -2.898 1.00 0.00 C ATOM 247 O GLN A 19 -13.424 -9.429 -3.348 1.00 0.00 O ATOM 248 CB GLN A 19 -14.250 -6.718 -4.193 1.00 0.00 C ATOM 249 CG GLN A 19 -14.907 -5.768 -5.208 1.00 0.00 C ATOM 250 CD GLN A 19 -15.190 -6.403 -6.573 1.00 0.00 C ATOM 251 OE1 GLN A 19 -16.295 -6.343 -7.100 1.00 0.00 O ATOM 252 NE2 GLN A 19 -14.222 -7.028 -7.220 1.00 0.00 N ATOM 0 H GLN A 19 -16.111 -6.546 -2.457 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.506 -8.387 -4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.952 -6.149 -3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.341 -7.133 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.844 -5.400 -4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.260 -4.903 -5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.292 -7.094 -6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.405 -7.444 -8.133 1.00 0.00 H new ATOM 261 N GLY A 20 -14.897 -9.175 -1.674 1.00 0.00 N ATOM 262 CA GLY A 20 -14.297 -10.160 -0.788 1.00 0.00 C ATOM 263 C GLY A 20 -13.270 -9.633 0.211 1.00 0.00 C ATOM 264 O GLY A 20 -12.826 -10.429 1.034 1.00 0.00 O ATOM 0 H GLY A 20 -15.711 -8.710 -1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.095 -10.651 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.818 -10.924 -1.400 1.00 0.00 H new ATOM 268 N TYR A 21 -12.875 -8.357 0.167 1.00 0.00 N ATOM 269 CA TYR A 21 -11.898 -7.829 1.121 1.00 0.00 C ATOM 270 C TYR A 21 -12.527 -7.704 2.513 1.00 0.00 C ATOM 271 O TYR A 21 -13.735 -7.473 2.624 1.00 0.00 O ATOM 272 CB TYR A 21 -11.423 -6.435 0.689 1.00 0.00 C ATOM 273 CG TYR A 21 -10.962 -6.314 -0.751 1.00 0.00 C ATOM 274 CD1 TYR A 21 -9.789 -6.961 -1.182 1.00 0.00 C ATOM 275 CD2 TYR A 21 -11.703 -5.530 -1.654 1.00 0.00 C ATOM 276 CE1 TYR A 21 -9.349 -6.807 -2.509 1.00 0.00 C ATOM 277 CE2 TYR A 21 -11.265 -5.365 -2.977 1.00 0.00 C ATOM 278 CZ TYR A 21 -10.083 -6.005 -3.409 1.00 0.00 C ATOM 279 OH TYR A 21 -9.656 -5.834 -4.689 1.00 0.00 O ATOM 0 H TYR A 21 -13.214 -7.677 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.055 -8.519 1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.236 -5.728 0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.603 -6.133 1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.227 -7.575 -0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.615 -5.052 -1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.448 -7.303 -2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.830 -4.751 -3.662 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.283 -5.253 -5.168 1.00 0.00 H new ATOM 289 N SER A 22 -11.730 -7.840 3.574 1.00 0.00 N ATOM 290 CA SER A 22 -12.236 -7.706 4.932 1.00 0.00 C ATOM 291 C SER A 22 -12.383 -6.217 5.257 1.00 0.00 C ATOM 292 O SER A 22 -11.758 -5.357 4.626 1.00 0.00 O ATOM 293 CB SER A 22 -11.267 -8.364 5.921 1.00 0.00 C ATOM 294 OG SER A 22 -11.132 -9.744 5.653 1.00 0.00 O ATOM 0 H SER A 22 -10.732 -8.043 3.514 1.00 0.00 H new ATOM 0 HA SER A 22 -13.204 -8.200 5.015 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.292 -7.880 5.857 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.628 -8.221 6.939 1.00 0.00 H new ATOM 0 HG SER A 22 -10.508 -10.142 6.295 1.00 0.00 H new ATOM 300 N TYR A 23 -13.180 -5.890 6.275 1.00 0.00 N ATOM 301 CA TYR A 23 -13.379 -4.508 6.687 1.00 0.00 C ATOM 302 C TYR A 23 -12.042 -3.902 7.113 1.00 0.00 C ATOM 303 O TYR A 23 -11.753 -2.748 6.800 1.00 0.00 O ATOM 304 CB TYR A 23 -14.397 -4.446 7.828 1.00 0.00 C ATOM 305 CG TYR A 23 -14.588 -3.049 8.375 1.00 0.00 C ATOM 306 CD1 TYR A 23 -15.435 -2.148 7.706 1.00 0.00 C ATOM 307 CD2 TYR A 23 -13.923 -2.651 9.551 1.00 0.00 C ATOM 308 CE1 TYR A 23 -15.643 -0.858 8.218 1.00 0.00 C ATOM 309 CE2 TYR A 23 -14.112 -1.356 10.060 1.00 0.00 C ATOM 310 CZ TYR A 23 -14.971 -0.454 9.390 1.00 0.00 C ATOM 311 OH TYR A 23 -15.123 0.818 9.834 1.00 0.00 O ATOM 0 H TYR A 23 -13.699 -6.571 6.830 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.770 -3.929 5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -15.355 -4.825 7.473 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -14.072 -5.104 8.634 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.928 -2.450 6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.268 -3.342 10.061 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -16.315 -0.177 7.716 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.602 -1.049 10.961 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.598 0.944 10.652 1.00 0.00 H new ATOM 321 N GLN A 24 -11.218 -4.688 7.811 1.00 0.00 N ATOM 322 CA GLN A 24 -9.915 -4.245 8.279 1.00 0.00 C ATOM 323 C GLN A 24 -9.031 -3.839 7.107 1.00 0.00 C ATOM 324 O GLN A 24 -8.418 -2.782 7.181 1.00 0.00 O ATOM 325 CB GLN A 24 -9.242 -5.332 9.122 1.00 0.00 C ATOM 326 CG GLN A 24 -10.050 -5.575 10.402 1.00 0.00 C ATOM 327 CD GLN A 24 -9.343 -6.464 11.418 1.00 0.00 C ATOM 328 OE1 GLN A 24 -8.241 -6.966 11.198 1.00 0.00 O ATOM 329 NE2 GLN A 24 -10.000 -6.724 12.536 1.00 0.00 N ATOM 0 H GLN A 24 -11.442 -5.650 8.065 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.060 -3.370 8.912 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.167 -6.256 8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.225 -5.031 9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.273 -4.615 10.867 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.004 -6.030 10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.912 -6.299 12.702 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.594 -7.349 13.232 1.00 0.00 H new ATOM 338 N ASP A 25 -8.983 -4.639 6.038 1.00 0.00 N ATOM 339 CA ASP A 25 -8.173 -4.343 4.854 1.00 0.00 C ATOM 340 C ASP A 25 -8.608 -2.993 4.292 1.00 0.00 C ATOM 341 O ASP A 25 -7.790 -2.121 3.999 1.00 0.00 O ATOM 342 CB ASP A 25 -8.380 -5.377 3.734 1.00 0.00 C ATOM 343 CG ASP A 25 -7.915 -6.791 4.044 1.00 0.00 C ATOM 344 OD1 ASP A 25 -6.709 -6.984 4.298 1.00 0.00 O ATOM 345 OD2 ASP A 25 -8.779 -7.697 3.955 1.00 0.00 O ATOM 0 H ASP A 25 -9.506 -5.512 5.970 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.128 -4.354 5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.441 -5.410 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.856 -5.030 2.843 1.00 0.00 H new ATOM 350 N ILE A 26 -9.923 -2.804 4.158 1.00 0.00 N ATOM 351 CA ILE A 26 -10.495 -1.582 3.627 1.00 0.00 C ATOM 352 C ILE A 26 -10.034 -0.382 4.461 1.00 0.00 C ATOM 353 O ILE A 26 -9.506 0.578 3.890 1.00 0.00 O ATOM 354 CB ILE A 26 -12.027 -1.713 3.485 1.00 0.00 C ATOM 355 CG1 ILE A 26 -12.402 -2.847 2.500 1.00 0.00 C ATOM 356 CG2 ILE A 26 -12.585 -0.374 2.982 1.00 0.00 C ATOM 357 CD1 ILE A 26 -13.847 -3.336 2.670 1.00 0.00 C ATOM 0 H ILE A 26 -10.618 -3.504 4.419 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.128 -1.404 2.616 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.457 -1.963 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -12.262 -2.494 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.721 -3.686 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.667 -0.448 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.343 0.412 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.141 -0.135 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.049 -4.131 1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.985 -3.718 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.534 -2.508 2.498 1.00 0.00 H new ATOM 369 N GLN A 27 -10.223 -0.421 5.783 1.00 0.00 N ATOM 370 CA GLN A 27 -9.805 0.674 6.645 1.00 0.00 C ATOM 371 C GLN A 27 -8.297 0.889 6.563 1.00 0.00 C ATOM 372 O GLN A 27 -7.875 1.996 6.241 1.00 0.00 O ATOM 373 CB GLN A 27 -10.243 0.455 8.102 1.00 0.00 C ATOM 374 CG GLN A 27 -11.764 0.355 8.281 1.00 0.00 C ATOM 375 CD GLN A 27 -12.550 1.441 7.556 1.00 0.00 C ATOM 376 OE1 GLN A 27 -12.234 2.627 7.598 1.00 0.00 O ATOM 377 NE2 GLN A 27 -13.600 1.061 6.854 1.00 0.00 N ATOM 0 H GLN A 27 -10.662 -1.200 6.273 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.302 1.575 6.285 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.781 -0.458 8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.868 1.276 8.712 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.098 -0.619 7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.997 0.402 9.345 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.861 0.076 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.151 1.753 6.345 1.00 0.00 H new ATOM 386 N LYS A 28 -7.487 -0.141 6.820 1.00 0.00 N ATOM 387 CA LYS A 28 -6.027 -0.062 6.794 1.00 0.00 C ATOM 388 C LYS A 28 -5.522 0.599 5.516 1.00 0.00 C ATOM 389 O LYS A 28 -4.602 1.411 5.584 1.00 0.00 O ATOM 390 CB LYS A 28 -5.419 -1.471 6.943 1.00 0.00 C ATOM 391 CG LYS A 28 -5.581 -2.036 8.366 1.00 0.00 C ATOM 392 CD LYS A 28 -5.327 -3.550 8.458 1.00 0.00 C ATOM 393 CE LYS A 28 -3.851 -3.893 8.242 1.00 0.00 C ATOM 394 NZ LYS A 28 -3.593 -5.345 8.314 1.00 0.00 N ATOM 0 H LYS A 28 -7.836 -1.070 7.056 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.711 0.558 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.895 -2.146 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.360 -1.435 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.892 -1.519 9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.589 -1.823 8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.645 -3.913 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.933 -4.066 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.533 -3.518 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.249 -3.382 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.612 -5.538 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.742 -5.676 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.244 -5.845 7.675 1.00 0.00 H new ATOM 408 N ALA A 29 -6.093 0.257 4.360 1.00 0.00 N ATOM 409 CA ALA A 29 -5.650 0.832 3.098 1.00 0.00 C ATOM 410 C ALA A 29 -6.023 2.311 3.028 1.00 0.00 C ATOM 411 O ALA A 29 -5.212 3.110 2.568 1.00 0.00 O ATOM 412 CB ALA A 29 -6.204 0.033 1.914 1.00 0.00 C ATOM 0 H ALA A 29 -6.859 -0.412 4.276 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.563 0.770 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.861 0.480 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.853 -0.997 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.294 0.047 1.944 1.00 0.00 H new ATOM 418 N LEU A 30 -7.227 2.683 3.478 1.00 0.00 N ATOM 419 CA LEU A 30 -7.687 4.069 3.467 1.00 0.00 C ATOM 420 C LEU A 30 -6.782 4.949 4.321 1.00 0.00 C ATOM 421 O LEU A 30 -6.398 6.025 3.861 1.00 0.00 O ATOM 422 CB LEU A 30 -9.139 4.193 3.964 1.00 0.00 C ATOM 423 CG LEU A 30 -10.200 3.831 2.916 1.00 0.00 C ATOM 424 CD1 LEU A 30 -11.585 3.735 3.564 1.00 0.00 C ATOM 425 CD2 LEU A 30 -10.237 4.886 1.806 1.00 0.00 C ATOM 0 H LEU A 30 -7.908 2.027 3.860 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.647 4.407 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.269 3.548 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.310 5.216 4.298 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.934 2.864 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.324 3.478 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.573 2.965 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.844 4.694 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.995 4.614 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.480 5.858 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.262 4.938 1.320 1.00 0.00 H new ATOM 437 N VAL A 31 -6.427 4.512 5.533 1.00 0.00 N ATOM 438 CA VAL A 31 -5.567 5.291 6.420 1.00 0.00 C ATOM 439 C VAL A 31 -4.223 5.548 5.738 1.00 0.00 C ATOM 440 O VAL A 31 -3.819 6.702 5.584 1.00 0.00 O ATOM 441 CB VAL A 31 -5.375 4.603 7.789 1.00 0.00 C ATOM 442 CG1 VAL A 31 -4.669 5.550 8.769 1.00 0.00 C ATOM 443 CG2 VAL A 31 -6.702 4.153 8.412 1.00 0.00 C ATOM 0 H VAL A 31 -6.726 3.617 5.921 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.055 6.246 6.616 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.765 3.718 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.541 5.050 9.729 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.693 5.825 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.271 6.448 8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.509 3.676 9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.347 5.019 8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.194 3.444 7.747 1.00 0.00 H new ATOM 453 N ILE A 32 -3.551 4.490 5.281 1.00 0.00 N ATOM 454 CA ILE A 32 -2.252 4.610 4.632 1.00 0.00 C ATOM 455 C ILE A 32 -2.359 5.423 3.336 1.00 0.00 C ATOM 456 O ILE A 32 -1.367 6.009 2.909 1.00 0.00 O ATOM 457 CB ILE A 32 -1.632 3.209 4.420 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.558 2.382 5.726 1.00 0.00 C ATOM 459 CG2 ILE A 32 -0.205 3.342 3.870 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.356 0.889 5.441 1.00 0.00 C ATOM 0 H ILE A 32 -3.893 3.532 5.352 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.574 5.164 5.281 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.284 2.691 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.738 2.749 6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.475 2.522 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.223 2.350 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.230 3.870 2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.407 3.901 4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.309 0.342 6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.190 0.516 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.425 0.746 4.892 1.00 0.00 H new ATOM 472 N ALA A 33 -3.524 5.477 2.681 1.00 0.00 N ATOM 473 CA ALA A 33 -3.734 6.231 1.454 1.00 0.00 C ATOM 474 C ALA A 33 -4.103 7.691 1.744 1.00 0.00 C ATOM 475 O ALA A 33 -4.479 8.423 0.823 1.00 0.00 O ATOM 476 CB ALA A 33 -4.774 5.522 0.593 1.00 0.00 C ATOM 0 H ALA A 33 -4.359 4.986 3.000 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.800 6.268 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.932 6.087 -0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.421 4.520 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.714 5.452 1.141 1.00 0.00 H new ATOM 482 N HIS A 34 -3.981 8.133 3.000 1.00 0.00 N ATOM 483 CA HIS A 34 -4.299 9.481 3.459 1.00 0.00 C ATOM 484 C HIS A 34 -5.768 9.809 3.168 1.00 0.00 C ATOM 485 O HIS A 34 -6.081 10.930 2.763 1.00 0.00 O ATOM 486 CB HIS A 34 -3.297 10.519 2.908 1.00 0.00 C ATOM 487 CG HIS A 34 -1.836 10.190 3.113 1.00 0.00 C ATOM 488 ND1 HIS A 34 -0.800 10.565 2.284 1.00 0.00 N ATOM 489 CD2 HIS A 34 -1.297 9.459 4.138 1.00 0.00 C ATOM 490 CE1 HIS A 34 0.340 10.082 2.805 1.00 0.00 C ATOM 491 NE2 HIS A 34 0.088 9.403 3.937 1.00 0.00 N ATOM 0 H HIS A 34 -3.644 7.533 3.753 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.184 9.529 4.542 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.477 10.640 1.840 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.503 11.481 3.377 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.842 9.007 4.954 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.321 10.220 2.375 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.772 8.938 4.534 1.00 0.00 H new ATOM 499 N ASN A 35 -6.655 8.817 3.328 1.00 0.00 N ATOM 500 CA ASN A 35 -8.111 8.825 3.136 1.00 0.00 C ATOM 501 C ASN A 35 -8.536 8.571 1.678 1.00 0.00 C ATOM 502 O ASN A 35 -9.737 8.464 1.433 1.00 0.00 O ATOM 503 CB ASN A 35 -8.802 10.106 3.682 1.00 0.00 C ATOM 504 CG ASN A 35 -8.653 10.311 5.189 1.00 0.00 C ATOM 505 OD1 ASN A 35 -7.576 10.635 5.688 1.00 0.00 O ATOM 506 ND2 ASN A 35 -9.717 10.126 5.956 1.00 0.00 N ATOM 0 H ASN A 35 -6.337 7.895 3.626 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.460 7.983 3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.390 10.974 3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.863 10.064 3.437 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.646 10.252 6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.607 9.857 5.537 1.00 0.00 H new ATOM 513 N ASN A 36 -7.609 8.437 0.722 1.00 0.00 N ATOM 514 CA ASN A 36 -7.912 8.229 -0.703 1.00 0.00 C ATOM 515 C ASN A 36 -8.418 6.807 -1.019 1.00 0.00 C ATOM 516 O ASN A 36 -7.630 5.861 -0.993 1.00 0.00 O ATOM 517 CB ASN A 36 -6.652 8.578 -1.515 1.00 0.00 C ATOM 518 CG ASN A 36 -6.859 8.554 -3.024 1.00 0.00 C ATOM 519 OD1 ASN A 36 -7.756 7.914 -3.556 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.998 9.228 -3.771 1.00 0.00 N ATOM 0 H ASN A 36 -6.609 8.470 0.918 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.737 8.885 -0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.307 9.570 -1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.860 7.875 -1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.083 9.213 -4.787 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.249 9.762 -3.330 1.00 0.00 H new ATOM 527 N ILE A 37 -9.710 6.642 -1.341 1.00 0.00 N ATOM 528 CA ILE A 37 -10.335 5.349 -1.667 1.00 0.00 C ATOM 529 C ILE A 37 -9.781 4.716 -2.947 1.00 0.00 C ATOM 530 O ILE A 37 -9.597 3.503 -2.992 1.00 0.00 O ATOM 531 CB ILE A 37 -11.881 5.510 -1.752 1.00 0.00 C ATOM 532 CG1 ILE A 37 -12.676 4.189 -1.917 1.00 0.00 C ATOM 533 CG2 ILE A 37 -12.318 6.440 -2.903 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.898 3.391 -0.626 1.00 0.00 C ATOM 0 H ILE A 37 -10.366 7.422 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.085 4.662 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.121 5.940 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.648 4.421 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.150 3.555 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.405 6.517 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.886 7.430 -2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.972 6.031 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.463 2.486 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.934 3.119 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.455 3.999 0.087 1.00 0.00 H new ATOM 546 N GLU A 38 -9.521 5.510 -3.983 1.00 0.00 N ATOM 547 CA GLU A 38 -9.030 5.059 -5.286 1.00 0.00 C ATOM 548 C GLU A 38 -7.621 4.491 -5.174 1.00 0.00 C ATOM 549 O GLU A 38 -7.294 3.465 -5.775 1.00 0.00 O ATOM 550 CB GLU A 38 -9.075 6.233 -6.279 1.00 0.00 C ATOM 551 CG GLU A 38 -10.478 6.873 -6.260 1.00 0.00 C ATOM 552 CD GLU A 38 -10.744 7.881 -7.372 1.00 0.00 C ATOM 553 OE1 GLU A 38 -9.874 8.711 -7.700 1.00 0.00 O ATOM 554 OE2 GLU A 38 -11.897 7.900 -7.874 1.00 0.00 O ATOM 0 H GLU A 38 -9.650 6.521 -3.938 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.673 4.258 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.322 6.975 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.838 5.882 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.223 6.080 -6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.621 7.368 -5.300 1.00 0.00 H new ATOM 561 N MET A 39 -6.797 5.172 -4.386 1.00 0.00 N ATOM 562 CA MET A 39 -5.424 4.801 -4.112 1.00 0.00 C ATOM 563 C MET A 39 -5.471 3.525 -3.286 1.00 0.00 C ATOM 564 O MET A 39 -4.818 2.541 -3.624 1.00 0.00 O ATOM 565 CB MET A 39 -4.786 5.970 -3.371 1.00 0.00 C ATOM 566 CG MET A 39 -3.279 5.927 -3.186 1.00 0.00 C ATOM 567 SD MET A 39 -2.707 7.528 -2.533 1.00 0.00 S ATOM 568 CE MET A 39 -0.942 7.515 -2.942 1.00 0.00 C ATOM 0 H MET A 39 -7.081 6.026 -3.906 1.00 0.00 H new ATOM 0 HA MET A 39 -4.829 4.605 -5.004 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.036 6.887 -3.905 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.247 6.039 -2.386 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.008 5.124 -2.501 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.790 5.713 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.530 8.515 -2.809 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.421 6.818 -2.285 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.811 7.204 -3.978 1.00 0.00 H new ATOM 578 N ALA A 40 -6.299 3.513 -2.234 1.00 0.00 N ATOM 579 CA ALA A 40 -6.468 2.362 -1.370 1.00 0.00 C ATOM 580 C ALA A 40 -6.920 1.147 -2.195 1.00 0.00 C ATOM 581 O ALA A 40 -6.427 0.043 -1.968 1.00 0.00 O ATOM 582 CB ALA A 40 -7.451 2.718 -0.254 1.00 0.00 C ATOM 0 H ALA A 40 -6.871 4.314 -1.965 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.521 2.089 -0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.585 1.857 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.059 3.556 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.411 2.995 -0.689 1.00 0.00 H new ATOM 588 N LYS A 41 -7.789 1.348 -3.196 1.00 0.00 N ATOM 589 CA LYS A 41 -8.284 0.288 -4.071 1.00 0.00 C ATOM 590 C LYS A 41 -7.100 -0.347 -4.777 1.00 0.00 C ATOM 591 O LYS A 41 -7.003 -1.572 -4.811 1.00 0.00 O ATOM 592 CB LYS A 41 -9.296 0.832 -5.101 1.00 0.00 C ATOM 593 CG LYS A 41 -10.734 0.751 -4.597 1.00 0.00 C ATOM 594 CD LYS A 41 -11.749 1.307 -5.593 1.00 0.00 C ATOM 595 CE LYS A 41 -13.145 1.188 -4.977 1.00 0.00 C ATOM 596 NZ LYS A 41 -14.197 1.200 -6.006 1.00 0.00 N ATOM 0 H LYS A 41 -8.170 2.267 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.806 -0.456 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.053 1.869 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.206 0.267 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.979 -0.289 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.816 1.300 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.523 2.348 -5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.700 0.755 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.211 0.265 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.307 2.011 -4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.129 1.118 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.150 2.091 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.057 0.400 -6.655 1.00 0.00 H new ATOM 610 N ASN A 42 -6.200 0.467 -5.333 1.00 0.00 N ATOM 611 CA ASN A 42 -5.016 -0.026 -6.029 1.00 0.00 C ATOM 612 C ASN A 42 -4.192 -0.906 -5.081 1.00 0.00 C ATOM 613 O ASN A 42 -3.724 -1.964 -5.503 1.00 0.00 O ATOM 614 CB ASN A 42 -4.185 1.133 -6.603 1.00 0.00 C ATOM 615 CG ASN A 42 -4.845 1.866 -7.761 1.00 0.00 C ATOM 616 OD1 ASN A 42 -5.576 1.274 -8.553 1.00 0.00 O ATOM 617 ND2 ASN A 42 -4.633 3.164 -7.898 1.00 0.00 N ATOM 0 H ASN A 42 -6.274 1.484 -5.312 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.329 -0.635 -6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.981 1.848 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.223 0.744 -6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.076 3.675 -8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.026 3.654 -7.240 1.00 0.00 H new ATOM 624 N ILE A 43 -4.041 -0.519 -3.804 1.00 0.00 N ATOM 625 CA ILE A 43 -3.289 -1.300 -2.812 1.00 0.00 C ATOM 626 C ILE A 43 -3.940 -2.678 -2.708 1.00 0.00 C ATOM 627 O ILE A 43 -3.282 -3.701 -2.908 1.00 0.00 O ATOM 628 CB ILE A 43 -3.207 -0.611 -1.422 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.646 0.819 -1.519 1.00 0.00 C ATOM 630 CG2 ILE A 43 -2.337 -1.450 -0.485 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.656 1.581 -0.193 1.00 0.00 C ATOM 0 H ILE A 43 -4.437 0.344 -3.432 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.256 -1.385 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.220 -0.539 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.623 0.773 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.228 1.378 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.280 -0.966 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.775 -2.442 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.335 -1.541 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.246 2.579 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.680 1.661 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.050 1.046 0.538 1.00 0.00 H new ATOM 643 N LEU A 44 -5.245 -2.704 -2.429 1.00 0.00 N ATOM 644 CA LEU A 44 -6.017 -3.933 -2.288 1.00 0.00 C ATOM 645 C LEU A 44 -6.016 -4.779 -3.564 1.00 0.00 C ATOM 646 O LEU A 44 -6.343 -5.958 -3.497 1.00 0.00 O ATOM 647 CB LEU A 44 -7.472 -3.603 -1.905 1.00 0.00 C ATOM 648 CG LEU A 44 -7.667 -2.899 -0.551 1.00 0.00 C ATOM 649 CD1 LEU A 44 -9.159 -2.636 -0.319 1.00 0.00 C ATOM 650 CD2 LEU A 44 -7.113 -3.724 0.610 1.00 0.00 C ATOM 0 H LEU A 44 -5.800 -1.859 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.538 -4.516 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.899 -2.973 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.044 -4.531 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.116 -1.959 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.296 -2.137 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.545 -2.001 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.699 -3.583 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.273 -3.188 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.625 -4.685 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.045 -3.888 0.463 1.00 0.00 H new ATOM 662 N ARG A 45 -5.662 -4.212 -4.722 1.00 0.00 N ATOM 663 CA ARG A 45 -5.639 -4.928 -5.989 1.00 0.00 C ATOM 664 C ARG A 45 -4.316 -5.642 -6.242 1.00 0.00 C ATOM 665 O ARG A 45 -4.346 -6.748 -6.779 1.00 0.00 O ATOM 666 CB ARG A 45 -5.945 -3.945 -7.132 1.00 0.00 C ATOM 667 CG ARG A 45 -6.600 -4.662 -8.317 1.00 0.00 C ATOM 668 CD ARG A 45 -7.123 -3.662 -9.352 1.00 0.00 C ATOM 669 NE ARG A 45 -6.073 -3.189 -10.262 1.00 0.00 N ATOM 670 CZ ARG A 45 -6.294 -2.489 -11.379 1.00 0.00 C ATOM 671 NH1 ARG A 45 -7.472 -1.903 -11.588 1.00 0.00 N ATOM 672 NH2 ARG A 45 -5.335 -2.369 -12.286 1.00 0.00 N ATOM 0 H ARG A 45 -5.382 -3.234 -4.800 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.404 -5.704 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.605 -3.156 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.023 -3.464 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.877 -5.329 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.422 -5.283 -7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.919 -4.129 -9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.563 -2.808 -8.837 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.106 -3.410 -10.025 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.214 -1.987 -10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.632 -1.371 -12.443 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.429 -2.811 -12.131 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.503 -1.835 -13.139 1.00 0.00 H new ATOM 686 N GLU A 46 -3.180 -5.032 -5.895 1.00 0.00 N ATOM 687 CA GLU A 46 -1.856 -5.618 -6.126 1.00 0.00 C ATOM 688 C GLU A 46 -1.274 -6.358 -4.923 1.00 0.00 C ATOM 689 O GLU A 46 -0.286 -7.082 -5.083 1.00 0.00 O ATOM 690 CB GLU A 46 -0.868 -4.529 -6.567 1.00 0.00 C ATOM 691 CG GLU A 46 -1.291 -3.778 -7.838 1.00 0.00 C ATOM 692 CD GLU A 46 -1.535 -4.712 -9.031 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.640 -5.524 -9.349 1.00 0.00 O ATOM 694 OE2 GLU A 46 -2.576 -4.569 -9.725 1.00 0.00 O ATOM 0 H GLU A 46 -3.152 -4.117 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.001 -6.362 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.749 -3.811 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.108 -4.985 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.200 -3.213 -7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.518 -3.055 -8.101 1.00 0.00 H new ATOM 701 N PHE A 47 -1.849 -6.190 -3.733 1.00 0.00 N ATOM 702 CA PHE A 47 -1.385 -6.843 -2.517 1.00 0.00 C ATOM 703 C PHE A 47 -2.431 -7.872 -2.112 1.00 0.00 C ATOM 704 O PHE A 47 -2.232 -9.068 -2.317 1.00 0.00 O ATOM 705 CB PHE A 47 -1.102 -5.816 -1.412 1.00 0.00 C ATOM 706 CG PHE A 47 0.191 -5.043 -1.597 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.311 -4.036 -2.578 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.286 -5.322 -0.759 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.548 -3.400 -2.788 1.00 0.00 C ATOM 710 CE2 PHE A 47 2.517 -4.691 -0.972 1.00 0.00 C ATOM 711 CZ PHE A 47 2.657 -3.749 -1.998 1.00 0.00 C ATOM 0 H PHE A 47 -2.660 -5.589 -3.588 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.437 -7.352 -2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.931 -5.110 -1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.070 -6.331 -0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.548 -3.753 -3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.176 -6.026 0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.645 -2.645 -3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.361 -4.932 -0.343 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.617 -3.290 -2.183 1.00 0.00 H new ATOM 721 N SER A 48 -3.543 -7.402 -1.549 1.00 0.00 N ATOM 722 CA SER A 48 -4.669 -8.202 -1.092 1.00 0.00 C ATOM 723 C SER A 48 -5.443 -8.766 -2.301 1.00 0.00 C ATOM 724 O SER A 48 -5.016 -8.635 -3.457 1.00 0.00 O ATOM 725 CB SER A 48 -5.531 -7.307 -0.182 1.00 0.00 C ATOM 726 OG SER A 48 -4.717 -6.557 0.698 1.00 0.00 O ATOM 0 H SER A 48 -3.686 -6.404 -1.393 1.00 0.00 H new ATOM 0 HA SER A 48 -4.343 -9.069 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.133 -6.633 -0.791 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.224 -7.923 0.391 1.00 0.00 H new ATOM 0 HG SER A 48 -5.265 -5.891 1.163 1.00 0.00 H new ATOM 732 N GLY A 49 -6.584 -9.409 -2.059 1.00 0.00 N ATOM 733 CA GLY A 49 -7.407 -9.980 -3.109 1.00 0.00 C ATOM 734 C GLY A 49 -8.731 -10.493 -2.550 1.00 0.00 C ATOM 735 O GLY A 49 -8.994 -10.303 -1.363 1.00 0.00 O ATOM 0 H GLY A 49 -6.961 -9.546 -1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.599 -9.228 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.871 -10.797 -3.592 1.00 0.00 H new ATOM 739 N PRO A 50 -9.578 -11.087 -3.404 1.00 0.00 N ATOM 740 CA PRO A 50 -10.867 -11.632 -3.005 1.00 0.00 C ATOM 741 C PRO A 50 -10.669 -12.934 -2.215 1.00 0.00 C ATOM 742 O PRO A 50 -9.568 -13.492 -2.189 1.00 0.00 O ATOM 743 CB PRO A 50 -11.596 -11.887 -4.331 1.00 0.00 C ATOM 744 CG PRO A 50 -10.464 -12.231 -5.294 1.00 0.00 C ATOM 745 CD PRO A 50 -9.325 -11.336 -4.814 1.00 0.00 C ATOM 0 HA PRO A 50 -11.431 -10.964 -2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.313 -12.703 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.151 -11.009 -4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.197 -13.287 -5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.735 -12.020 -6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.360 -11.822 -4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.299 -10.403 -5.376 1.00 0.00 H new ATOM 753 N SER A 51 -11.739 -13.434 -1.601 1.00 0.00 N ATOM 754 CA SER A 51 -11.787 -14.665 -0.814 1.00 0.00 C ATOM 755 C SER A 51 -13.152 -15.335 -1.053 1.00 0.00 C ATOM 756 O SER A 51 -13.914 -14.843 -1.891 1.00 0.00 O ATOM 757 CB SER A 51 -11.463 -14.360 0.650 1.00 0.00 C ATOM 758 OG SER A 51 -10.197 -13.732 0.755 1.00 0.00 O ATOM 0 H SER A 51 -12.645 -12.966 -1.641 1.00 0.00 H new ATOM 0 HA SER A 51 -11.027 -15.382 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.233 -13.714 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.468 -15.283 1.230 1.00 0.00 H new ATOM 0 HG SER A 51 -10.004 -13.541 1.697 1.00 0.00 H new ATOM 764 N SER A 52 -13.497 -16.448 -0.393 1.00 0.00 N ATOM 765 CA SER A 52 -14.780 -17.107 -0.642 1.00 0.00 C ATOM 766 C SER A 52 -15.371 -17.778 0.597 1.00 0.00 C ATOM 767 O SER A 52 -14.984 -18.894 0.963 1.00 0.00 O ATOM 768 CB SER A 52 -14.620 -18.083 -1.817 1.00 0.00 C ATOM 769 OG SER A 52 -13.489 -18.936 -1.700 1.00 0.00 O ATOM 0 H SER A 52 -12.913 -16.904 0.308 1.00 0.00 H new ATOM 0 HA SER A 52 -15.509 -16.341 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.519 -18.695 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.540 -17.513 -2.743 1.00 0.00 H new ATOM 0 HG SER A 52 -13.462 -19.321 -0.799 1.00 0.00 H new ATOM 775 N GLY A 53 -16.330 -17.107 1.231 1.00 0.00 N ATOM 776 CA GLY A 53 -17.043 -17.554 2.414 1.00 0.00 C ATOM 777 C GLY A 53 -18.316 -16.744 2.559 1.00 0.00 C ATOM 778 O GLY A 53 -18.664 -15.988 1.625 1.00 0.00 O ATOM 0 H GLY A 53 -16.643 -16.190 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.279 -18.615 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.417 -17.434 3.298 1.00 0.00 H new TER 782 GLY A 53 ATOM 783 N GLY B 1 15.574 5.475 10.094 1.00 0.00 N ATOM 784 CA GLY B 1 16.785 4.648 10.009 1.00 0.00 C ATOM 785 C GLY B 1 18.013 5.523 10.133 1.00 0.00 C ATOM 786 O GLY B 1 18.367 6.170 9.151 1.00 0.00 O ATOM 0 H1 GLY B 1 14.733 4.869 10.008 1.00 0.00 H new ATOM 0 H2 GLY B 1 15.554 5.968 11.010 1.00 0.00 H new ATOM 0 H3 GLY B 1 15.577 6.174 9.324 1.00 0.00 H new ATOM 0 HA2 GLY B 1 16.780 3.898 10.800 1.00 0.00 H new ATOM 0 HA3 GLY B 1 16.804 4.111 9.061 1.00 0.00 H new ATOM 790 N SER B 2 18.656 5.543 11.305 1.00 0.00 N ATOM 791 CA SER B 2 19.840 6.352 11.584 1.00 0.00 C ATOM 792 C SER B 2 20.874 6.201 10.466 1.00 0.00 C ATOM 793 O SER B 2 21.206 5.082 10.064 1.00 0.00 O ATOM 794 CB SER B 2 20.433 5.967 12.948 1.00 0.00 C ATOM 795 OG SER B 2 21.111 7.040 13.588 1.00 0.00 O ATOM 0 H SER B 2 18.358 4.982 12.103 1.00 0.00 H new ATOM 0 HA SER B 2 19.548 7.401 11.623 1.00 0.00 H new ATOM 0 HB2 SER B 2 19.633 5.613 13.598 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.126 5.136 12.814 1.00 0.00 H new ATOM 0 HG SER B 2 21.464 6.736 14.450 1.00 0.00 H new ATOM 801 N SER B 3 21.369 7.326 9.964 1.00 0.00 N ATOM 802 CA SER B 3 22.347 7.385 8.897 1.00 0.00 C ATOM 803 C SER B 3 23.198 8.644 9.013 1.00 0.00 C ATOM 804 O SER B 3 22.811 9.609 9.684 1.00 0.00 O ATOM 805 CB SER B 3 21.600 7.370 7.560 1.00 0.00 C ATOM 806 OG SER B 3 20.551 8.325 7.520 1.00 0.00 O ATOM 0 H SER B 3 21.089 8.247 10.302 1.00 0.00 H new ATOM 0 HA SER B 3 23.016 6.527 8.964 1.00 0.00 H new ATOM 0 HB2 SER B 3 22.303 7.571 6.751 1.00 0.00 H new ATOM 0 HB3 SER B 3 21.190 6.375 7.386 1.00 0.00 H new ATOM 0 HG SER B 3 20.103 8.282 6.650 1.00 0.00 H new ATOM 812 N GLY B 4 24.338 8.633 8.329 1.00 0.00 N ATOM 813 CA GLY B 4 25.317 9.702 8.233 1.00 0.00 C ATOM 814 C GLY B 4 25.283 10.297 6.823 1.00 0.00 C ATOM 815 O GLY B 4 25.844 11.371 6.603 1.00 0.00 O ATOM 0 H GLY B 4 24.619 7.815 7.789 1.00 0.00 H new ATOM 0 HA2 GLY B 4 25.102 10.475 8.971 1.00 0.00 H new ATOM 0 HA3 GLY B 4 26.313 9.319 8.454 1.00 0.00 H new ATOM 819 N SER B 5 24.640 9.616 5.870 1.00 0.00 N ATOM 820 CA SER B 5 24.490 10.037 4.494 1.00 0.00 C ATOM 821 C SER B 5 23.067 9.743 4.031 1.00 0.00 C ATOM 822 O SER B 5 22.510 8.669 4.293 1.00 0.00 O ATOM 823 CB SER B 5 25.511 9.344 3.585 1.00 0.00 C ATOM 824 OG SER B 5 26.771 9.986 3.693 1.00 0.00 O ATOM 0 H SER B 5 24.194 8.718 6.056 1.00 0.00 H new ATOM 0 HA SER B 5 24.677 11.109 4.432 1.00 0.00 H new ATOM 0 HB2 SER B 5 25.604 8.294 3.863 1.00 0.00 H new ATOM 0 HB3 SER B 5 25.167 9.371 2.551 1.00 0.00 H new ATOM 0 HG SER B 5 27.418 9.536 3.111 1.00 0.00 H new ATOM 830 N SER B 6 22.486 10.719 3.348 1.00 0.00 N ATOM 831 CA SER B 6 21.155 10.693 2.766 1.00 0.00 C ATOM 832 C SER B 6 21.324 10.459 1.256 1.00 0.00 C ATOM 833 O SER B 6 22.461 10.372 0.782 1.00 0.00 O ATOM 834 CB SER B 6 20.437 11.987 3.156 1.00 0.00 C ATOM 835 OG SER B 6 20.392 12.080 4.571 1.00 0.00 O ATOM 0 H SER B 6 22.963 11.604 3.176 1.00 0.00 H new ATOM 0 HA SER B 6 20.523 9.886 3.137 1.00 0.00 H new ATOM 0 HB2 SER B 6 20.959 12.848 2.738 1.00 0.00 H new ATOM 0 HB3 SER B 6 19.427 11.996 2.745 1.00 0.00 H new ATOM 0 HG SER B 6 19.935 12.907 4.830 1.00 0.00 H new ATOM 841 N GLY B 7 20.249 10.332 0.479 1.00 0.00 N ATOM 842 CA GLY B 7 20.378 10.086 -0.953 1.00 0.00 C ATOM 843 C GLY B 7 19.043 9.836 -1.645 1.00 0.00 C ATOM 844 O GLY B 7 17.987 10.296 -1.191 1.00 0.00 O ATOM 0 H GLY B 7 19.288 10.395 0.815 1.00 0.00 H new ATOM 0 HA2 GLY B 7 20.866 10.942 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY B 7 21.027 9.225 -1.110 1.00 0.00 H new ATOM 848 N GLN B 8 19.116 9.181 -2.803 1.00 0.00 N ATOM 849 CA GLN B 8 17.972 8.823 -3.630 1.00 0.00 C ATOM 850 C GLN B 8 17.149 7.721 -2.957 1.00 0.00 C ATOM 851 O GLN B 8 17.519 7.180 -1.910 1.00 0.00 O ATOM 852 CB GLN B 8 18.471 8.347 -5.004 1.00 0.00 C ATOM 853 CG GLN B 8 18.910 9.498 -5.910 1.00 0.00 C ATOM 854 CD GLN B 8 19.271 8.953 -7.289 1.00 0.00 C ATOM 855 OE1 GLN B 8 20.237 8.207 -7.428 1.00 0.00 O ATOM 856 NE2 GLN B 8 18.482 9.210 -8.317 1.00 0.00 N ATOM 0 H GLN B 8 20.004 8.876 -3.202 1.00 0.00 H new ATOM 0 HA GLN B 8 17.333 9.697 -3.757 1.00 0.00 H new ATOM 0 HB2 GLN B 8 19.308 7.663 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN B 8 17.678 7.785 -5.498 1.00 0.00 H new ATOM 0 HG2 GLN B 8 18.109 10.233 -5.996 1.00 0.00 H new ATOM 0 HG3 GLN B 8 19.767 10.011 -5.474 1.00 0.00 H new ATOM 0 HE21 GLN B 8 17.680 9.829 -8.202 1.00 0.00 H new ATOM 0 HE22 GLN B 8 18.675 8.789 -9.226 1.00 0.00 H new ATOM 865 N LEU B 9 16.011 7.389 -3.569 1.00 0.00 N ATOM 866 CA LEU B 9 15.107 6.357 -3.078 1.00 0.00 C ATOM 867 C LEU B 9 15.700 4.963 -3.296 1.00 0.00 C ATOM 868 O LEU B 9 15.208 4.006 -2.700 1.00 0.00 O ATOM 869 CB LEU B 9 13.752 6.437 -3.795 1.00 0.00 C ATOM 870 CG LEU B 9 12.818 7.562 -3.323 1.00 0.00 C ATOM 871 CD1 LEU B 9 13.306 8.948 -3.773 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.421 7.300 -3.886 1.00 0.00 C ATOM 0 H LEU B 9 15.691 7.836 -4.428 1.00 0.00 H new ATOM 0 HA LEU B 9 14.966 6.527 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.933 6.563 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.237 5.485 -3.669 1.00 0.00 H new ATOM 0 HG LEU B 9 12.805 7.564 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU B 9 12.614 9.711 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU B 9 14.297 9.136 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.353 8.981 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.744 8.090 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU B 9 11.465 7.285 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU B 9 11.057 6.338 -3.524 1.00 0.00 H new ATOM 884 N SER B 10 16.731 4.827 -4.138 1.00 0.00 N ATOM 885 CA SER B 10 17.384 3.559 -4.424 1.00 0.00 C ATOM 886 C SER B 10 17.882 2.908 -3.138 1.00 0.00 C ATOM 887 O SER B 10 17.591 1.739 -2.890 1.00 0.00 O ATOM 888 CB SER B 10 18.534 3.757 -5.425 1.00 0.00 C ATOM 889 OG SER B 10 19.177 5.014 -5.270 1.00 0.00 O ATOM 0 H SER B 10 17.137 5.613 -4.645 1.00 0.00 H new ATOM 0 HA SER B 10 16.654 2.889 -4.878 1.00 0.00 H new ATOM 0 HB2 SER B 10 19.266 2.959 -5.296 1.00 0.00 H new ATOM 0 HB3 SER B 10 18.147 3.673 -6.440 1.00 0.00 H new ATOM 0 HG SER B 10 19.901 5.094 -5.925 1.00 0.00 H new ATOM 895 N SER B 11 18.591 3.679 -2.313 1.00 0.00 N ATOM 896 CA SER B 11 19.138 3.225 -1.047 1.00 0.00 C ATOM 897 C SER B 11 18.030 2.757 -0.105 1.00 0.00 C ATOM 898 O SER B 11 18.219 1.822 0.664 1.00 0.00 O ATOM 899 CB SER B 11 19.923 4.381 -0.416 1.00 0.00 C ATOM 900 OG SER B 11 20.813 4.946 -1.367 1.00 0.00 O ATOM 0 H SER B 11 18.802 4.656 -2.516 1.00 0.00 H new ATOM 0 HA SER B 11 19.798 2.375 -1.222 1.00 0.00 H new ATOM 0 HB2 SER B 11 19.233 5.144 -0.054 1.00 0.00 H new ATOM 0 HB3 SER B 11 20.482 4.022 0.448 1.00 0.00 H new ATOM 0 HG SER B 11 21.308 5.684 -0.954 1.00 0.00 H new ATOM 906 N GLU B 12 16.844 3.361 -0.165 1.00 0.00 N ATOM 907 CA GLU B 12 15.749 2.979 0.711 1.00 0.00 C ATOM 908 C GLU B 12 15.202 1.610 0.307 1.00 0.00 C ATOM 909 O GLU B 12 14.853 0.821 1.184 1.00 0.00 O ATOM 910 CB GLU B 12 14.669 4.071 0.717 1.00 0.00 C ATOM 911 CG GLU B 12 15.227 5.487 0.930 1.00 0.00 C ATOM 912 CD GLU B 12 16.201 5.541 2.104 1.00 0.00 C ATOM 913 OE1 GLU B 12 15.759 5.403 3.267 1.00 0.00 O ATOM 914 OE2 GLU B 12 17.418 5.681 1.863 1.00 0.00 O ATOM 0 H GLU B 12 16.622 4.117 -0.813 1.00 0.00 H new ATOM 0 HA GLU B 12 16.114 2.886 1.734 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.129 4.041 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU B 12 13.947 3.852 1.504 1.00 0.00 H new ATOM 0 HG2 GLU B 12 15.732 5.819 0.023 1.00 0.00 H new ATOM 0 HG3 GLU B 12 14.404 6.179 1.108 1.00 0.00 H new ATOM 921 N ILE B 13 15.153 1.311 -0.998 1.00 0.00 N ATOM 922 CA ILE B 13 14.683 0.024 -1.507 1.00 0.00 C ATOM 923 C ILE B 13 15.668 -1.026 -0.999 1.00 0.00 C ATOM 924 O ILE B 13 15.258 -2.053 -0.459 1.00 0.00 O ATOM 925 CB ILE B 13 14.597 0.021 -3.052 1.00 0.00 C ATOM 926 CG1 ILE B 13 13.545 1.035 -3.540 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.298 -1.393 -3.591 1.00 0.00 C ATOM 928 CD1 ILE B 13 13.659 1.374 -5.031 1.00 0.00 C ATOM 0 H ILE B 13 15.440 1.961 -1.730 1.00 0.00 H new ATOM 0 HA ILE B 13 13.673 -0.187 -1.155 1.00 0.00 H new ATOM 0 HB ILE B 13 15.568 0.324 -3.445 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.550 0.636 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE B 13 13.641 1.953 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.243 -1.364 -4.679 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.092 -2.074 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.347 -1.742 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE B 13 12.886 2.093 -5.301 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.640 1.803 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.532 0.466 -5.621 1.00 0.00 H new ATOM 940 N GLU B 14 16.968 -0.760 -1.156 1.00 0.00 N ATOM 941 CA GLU B 14 18.010 -1.666 -0.705 1.00 0.00 C ATOM 942 C GLU B 14 17.894 -1.867 0.808 1.00 0.00 C ATOM 943 O GLU B 14 18.100 -2.983 1.291 1.00 0.00 O ATOM 944 CB GLU B 14 19.399 -1.131 -1.081 1.00 0.00 C ATOM 945 CG GLU B 14 19.613 -1.061 -2.599 1.00 0.00 C ATOM 946 CD GLU B 14 21.051 -0.674 -2.941 1.00 0.00 C ATOM 947 OE1 GLU B 14 21.459 0.491 -2.746 1.00 0.00 O ATOM 948 OE2 GLU B 14 21.792 -1.570 -3.423 1.00 0.00 O ATOM 0 H GLU B 14 17.320 0.089 -1.599 1.00 0.00 H new ATOM 0 HA GLU B 14 17.882 -2.628 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.530 -0.137 -0.653 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.163 -1.771 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.378 -2.027 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.926 -0.334 -3.032 1.00 0.00 H new ATOM 955 N ARG B 15 17.525 -0.829 1.573 1.00 0.00 N ATOM 956 CA ARG B 15 17.405 -0.993 3.015 1.00 0.00 C ATOM 957 C ARG B 15 16.169 -1.815 3.355 1.00 0.00 C ATOM 958 O ARG B 15 16.198 -2.557 4.335 1.00 0.00 O ATOM 959 CB ARG B 15 17.459 0.369 3.734 1.00 0.00 C ATOM 960 CG ARG B 15 18.907 0.888 3.730 1.00 0.00 C ATOM 961 CD ARG B 15 19.198 2.030 4.700 1.00 0.00 C ATOM 962 NE ARG B 15 18.792 3.345 4.186 1.00 0.00 N ATOM 963 CZ ARG B 15 19.123 4.498 4.775 1.00 0.00 C ATOM 964 NH1 ARG B 15 19.732 4.512 5.956 1.00 0.00 N ATOM 965 NH2 ARG B 15 18.812 5.649 4.207 1.00 0.00 N ATOM 0 H ARG B 15 17.311 0.105 1.223 1.00 0.00 H new ATOM 0 HA ARG B 15 18.261 -1.556 3.386 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.803 1.083 3.235 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.100 0.267 4.758 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.573 0.057 3.964 1.00 0.00 H new ATOM 0 HG3 ARG B 15 19.153 1.220 2.721 1.00 0.00 H new ATOM 0 HD2 ARG B 15 18.681 1.840 5.641 1.00 0.00 H new ATOM 0 HD3 ARG B 15 20.265 2.047 4.921 1.00 0.00 H new ATOM 0 HE ARG B 15 18.229 3.380 3.336 1.00 0.00 H new ATOM 0 HH11 ARG B 15 19.953 3.634 6.426 1.00 0.00 H new ATOM 0 HH12 ARG B 15 19.978 5.400 6.392 1.00 0.00 H new ATOM 0 HH21 ARG B 15 18.317 5.660 3.315 1.00 0.00 H new ATOM 0 HH22 ARG B 15 19.067 6.527 4.660 1.00 0.00 H new ATOM 979 N LEU B 16 15.101 -1.724 2.563 1.00 0.00 N ATOM 980 CA LEU B 16 13.869 -2.471 2.788 1.00 0.00 C ATOM 981 C LEU B 16 14.042 -3.957 2.498 1.00 0.00 C ATOM 982 O LEU B 16 13.374 -4.759 3.147 1.00 0.00 O ATOM 983 CB LEU B 16 12.724 -1.872 1.960 1.00 0.00 C ATOM 984 CG LEU B 16 12.169 -0.594 2.607 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.347 0.166 1.571 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.321 -0.902 3.851 1.00 0.00 C ATOM 0 H LEU B 16 15.069 -1.123 1.740 1.00 0.00 H new ATOM 0 HA LEU B 16 13.615 -2.384 3.845 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.080 -1.647 0.955 1.00 0.00 H new ATOM 0 HB3 LEU B 16 11.925 -2.606 1.858 1.00 0.00 H new ATOM 0 HG LEU B 16 13.006 0.019 2.941 1.00 0.00 H new ATOM 0 HD11 LEU B 16 10.948 1.076 2.019 1.00 0.00 H new ATOM 0 HD12 LEU B 16 11.981 0.427 0.724 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.524 -0.461 1.228 1.00 0.00 H new ATOM 0 HD21 LEU B 16 10.948 0.030 4.277 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.479 -1.535 3.570 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.933 -1.420 4.590 1.00 0.00 H new ATOM 998 N MET B 17 14.955 -4.358 1.606 1.00 0.00 N ATOM 999 CA MET B 17 15.172 -5.780 1.319 1.00 0.00 C ATOM 1000 C MET B 17 15.564 -6.515 2.609 1.00 0.00 C ATOM 1001 O MET B 17 15.126 -7.644 2.853 1.00 0.00 O ATOM 1002 CB MET B 17 16.265 -5.962 0.260 1.00 0.00 C ATOM 1003 CG MET B 17 15.831 -5.490 -1.129 1.00 0.00 C ATOM 1004 SD MET B 17 17.144 -5.649 -2.369 1.00 0.00 S ATOM 1005 CE MET B 17 16.238 -5.185 -3.864 1.00 0.00 C ATOM 0 H MET B 17 15.551 -3.724 1.074 1.00 0.00 H new ATOM 0 HA MET B 17 14.245 -6.200 0.929 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.155 -5.410 0.564 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.544 -7.014 0.210 1.00 0.00 H new ATOM 0 HG2 MET B 17 14.964 -6.068 -1.449 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.516 -4.448 -1.071 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.738 -5.605 -4.737 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.220 -5.572 -3.807 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.209 -4.099 -3.950 1.00 0.00 H new ATOM 1015 N SER B 18 16.348 -5.854 3.466 1.00 0.00 N ATOM 1016 CA SER B 18 16.812 -6.384 4.739 1.00 0.00 C ATOM 1017 C SER B 18 15.632 -6.694 5.673 1.00 0.00 C ATOM 1018 O SER B 18 15.723 -7.621 6.476 1.00 0.00 O ATOM 1019 CB SER B 18 17.761 -5.350 5.359 1.00 0.00 C ATOM 1020 OG SER B 18 18.308 -5.779 6.588 1.00 0.00 O ATOM 0 H SER B 18 16.684 -4.909 3.282 1.00 0.00 H new ATOM 0 HA SER B 18 17.339 -7.325 4.585 1.00 0.00 H new ATOM 0 HB2 SER B 18 18.570 -5.140 4.659 1.00 0.00 H new ATOM 0 HB3 SER B 18 17.222 -4.415 5.513 1.00 0.00 H new ATOM 0 HG SER B 18 18.905 -5.086 6.940 1.00 0.00 H new ATOM 1026 N GLN B 19 14.521 -5.954 5.579 1.00 0.00 N ATOM 1027 CA GLN B 19 13.336 -6.153 6.411 1.00 0.00 C ATOM 1028 C GLN B 19 12.524 -7.399 6.011 1.00 0.00 C ATOM 1029 O GLN B 19 11.595 -7.747 6.741 1.00 0.00 O ATOM 1030 CB GLN B 19 12.464 -4.886 6.367 1.00 0.00 C ATOM 1031 CG GLN B 19 13.046 -3.673 7.115 1.00 0.00 C ATOM 1032 CD GLN B 19 13.091 -3.797 8.644 1.00 0.00 C ATOM 1033 OE1 GLN B 19 13.809 -3.045 9.307 1.00 0.00 O ATOM 1034 NE2 GLN B 19 12.312 -4.670 9.259 1.00 0.00 N ATOM 0 H GLN B 19 14.422 -5.189 4.911 1.00 0.00 H new ATOM 0 HA GLN B 19 13.673 -6.332 7.432 1.00 0.00 H new ATOM 0 HB2 GLN B 19 12.303 -4.609 5.325 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.487 -5.120 6.789 1.00 0.00 H new ATOM 0 HG2 GLN B 19 14.059 -3.497 6.753 1.00 0.00 H new ATOM 0 HG3 GLN B 19 12.457 -2.793 6.857 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.716 -5.294 8.715 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.306 -4.720 10.278 1.00 0.00 H new ATOM 1043 N GLY B 20 12.857 -8.059 4.895 1.00 0.00 N ATOM 1044 CA GLY B 20 12.198 -9.267 4.397 1.00 0.00 C ATOM 1045 C GLY B 20 11.212 -8.999 3.265 1.00 0.00 C ATOM 1046 O GLY B 20 10.580 -9.926 2.762 1.00 0.00 O ATOM 0 H GLY B 20 13.622 -7.753 4.293 1.00 0.00 H new ATOM 0 HA2 GLY B 20 12.957 -9.968 4.049 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.671 -9.750 5.220 1.00 0.00 H new ATOM 1050 N TYR B 21 11.044 -7.736 2.877 1.00 0.00 N ATOM 1051 CA TYR B 21 10.135 -7.358 1.814 1.00 0.00 C ATOM 1052 C TYR B 21 10.798 -7.651 0.472 1.00 0.00 C ATOM 1053 O TYR B 21 11.889 -7.142 0.192 1.00 0.00 O ATOM 1054 CB TYR B 21 9.774 -5.878 1.940 1.00 0.00 C ATOM 1055 CG TYR B 21 9.362 -5.432 3.334 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.409 -6.156 4.079 1.00 0.00 C ATOM 1057 CD2 TYR B 21 9.959 -4.290 3.896 1.00 0.00 C ATOM 1058 CE1 TYR B 21 8.067 -5.742 5.379 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.591 -3.845 5.176 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.656 -4.583 5.929 1.00 0.00 C ATOM 1061 OH TYR B 21 8.382 -4.216 7.209 1.00 0.00 O ATOM 0 H TYR B 21 11.539 -6.949 3.297 1.00 0.00 H new ATOM 0 HA TYR B 21 9.212 -7.934 1.885 1.00 0.00 H new ATOM 0 HB2 TYR B 21 10.630 -5.283 1.623 1.00 0.00 H new ATOM 0 HB3 TYR B 21 8.960 -5.658 1.249 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.941 -7.030 3.651 1.00 0.00 H new ATOM 0 HD2 TYR B 21 10.709 -3.749 3.337 1.00 0.00 H new ATOM 0 HE1 TYR B 21 7.354 -6.311 5.957 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.022 -2.942 5.581 1.00 0.00 H new ATOM 0 HH TYR B 21 7.445 -3.936 7.276 1.00 0.00 H new ATOM 1071 N SER B 22 10.161 -8.479 -0.352 1.00 0.00 N ATOM 1072 CA SER B 22 10.679 -8.826 -1.664 1.00 0.00 C ATOM 1073 C SER B 22 10.703 -7.571 -2.549 1.00 0.00 C ATOM 1074 O SER B 22 9.884 -6.661 -2.381 1.00 0.00 O ATOM 1075 CB SER B 22 9.793 -9.913 -2.275 1.00 0.00 C ATOM 1076 OG SER B 22 9.543 -10.937 -1.333 1.00 0.00 O ATOM 0 H SER B 22 9.272 -8.926 -0.125 1.00 0.00 H new ATOM 0 HA SER B 22 11.697 -9.208 -1.584 1.00 0.00 H new ATOM 0 HB2 SER B 22 8.850 -9.478 -2.606 1.00 0.00 H new ATOM 0 HB3 SER B 22 10.278 -10.332 -3.157 1.00 0.00 H new ATOM 0 HG SER B 22 8.974 -11.623 -1.739 1.00 0.00 H new ATOM 1082 N TYR B 23 11.596 -7.538 -3.544 1.00 0.00 N ATOM 1083 CA TYR B 23 11.728 -6.398 -4.451 1.00 0.00 C ATOM 1084 C TYR B 23 10.401 -6.038 -5.124 1.00 0.00 C ATOM 1085 O TYR B 23 10.102 -4.853 -5.284 1.00 0.00 O ATOM 1086 CB TYR B 23 12.802 -6.694 -5.504 1.00 0.00 C ATOM 1087 CG TYR B 23 13.053 -5.562 -6.487 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.428 -4.285 -6.027 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.904 -5.782 -7.871 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.628 -3.235 -6.941 1.00 0.00 C ATOM 1091 CE2 TYR B 23 13.116 -4.736 -8.787 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.474 -3.451 -8.326 1.00 0.00 C ATOM 1093 OH TYR B 23 13.649 -2.415 -9.196 1.00 0.00 O ATOM 0 H TYR B 23 12.245 -8.300 -3.741 1.00 0.00 H new ATOM 0 HA TYR B 23 12.028 -5.534 -3.858 1.00 0.00 H new ATOM 0 HB2 TYR B 23 13.737 -6.929 -4.995 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.510 -7.584 -6.062 1.00 0.00 H new ATOM 0 HD1 TYR B 23 13.562 -4.111 -4.970 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.625 -6.761 -8.231 1.00 0.00 H new ATOM 0 HE1 TYR B 23 13.902 -2.255 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR B 23 13.005 -4.917 -9.846 1.00 0.00 H new ATOM 0 HH TYR B 23 13.508 -2.731 -10.113 1.00 0.00 H new ATOM 1103 N GLN B 24 9.609 -7.052 -5.498 1.00 0.00 N ATOM 1104 CA GLN B 24 8.320 -6.862 -6.146 1.00 0.00 C ATOM 1105 C GLN B 24 7.398 -6.017 -5.275 1.00 0.00 C ATOM 1106 O GLN B 24 6.830 -5.050 -5.764 1.00 0.00 O ATOM 1107 CB GLN B 24 7.625 -8.202 -6.417 1.00 0.00 C ATOM 1108 CG GLN B 24 8.367 -9.129 -7.386 1.00 0.00 C ATOM 1109 CD GLN B 24 7.503 -10.323 -7.801 1.00 0.00 C ATOM 1110 OE1 GLN B 24 6.370 -10.486 -7.359 1.00 0.00 O ATOM 1111 NE2 GLN B 24 8.003 -11.174 -8.676 1.00 0.00 N ATOM 0 H GLN B 24 9.854 -8.032 -5.355 1.00 0.00 H new ATOM 0 HA GLN B 24 8.514 -6.356 -7.092 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.491 -8.723 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.630 -8.005 -6.816 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.662 -8.568 -8.273 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.283 -9.488 -6.917 1.00 0.00 H new ATOM 0 HE21 GLN B 24 8.945 -11.035 -9.041 1.00 0.00 H new ATOM 0 HE22 GLN B 24 7.447 -11.971 -8.987 1.00 0.00 H new ATOM 1120 N ASP B 25 7.246 -6.384 -4.004 1.00 0.00 N ATOM 1121 CA ASP B 25 6.393 -5.698 -3.040 1.00 0.00 C ATOM 1122 C ASP B 25 6.828 -4.249 -2.877 1.00 0.00 C ATOM 1123 O ASP B 25 5.997 -3.343 -2.940 1.00 0.00 O ATOM 1124 CB ASP B 25 6.418 -6.446 -1.695 1.00 0.00 C ATOM 1125 CG ASP B 25 5.089 -7.141 -1.421 1.00 0.00 C ATOM 1126 OD1 ASP B 25 4.482 -7.703 -2.357 1.00 0.00 O ATOM 1127 OD2 ASP B 25 4.632 -7.110 -0.257 1.00 0.00 O ATOM 0 H ASP B 25 7.728 -7.191 -3.607 1.00 0.00 H new ATOM 0 HA ASP B 25 5.368 -5.693 -3.410 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.221 -7.183 -1.701 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.636 -5.744 -0.890 1.00 0.00 H new ATOM 1132 N ILE B 26 8.134 -4.016 -2.710 1.00 0.00 N ATOM 1133 CA ILE B 26 8.676 -2.671 -2.548 1.00 0.00 C ATOM 1134 C ILE B 26 8.309 -1.835 -3.790 1.00 0.00 C ATOM 1135 O ILE B 26 7.798 -0.722 -3.644 1.00 0.00 O ATOM 1136 CB ILE B 26 10.188 -2.714 -2.221 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.527 -3.584 -0.984 1.00 0.00 C ATOM 1138 CG2 ILE B 26 10.669 -1.283 -1.932 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.014 -3.962 -0.919 1.00 0.00 C ATOM 0 H ILE B 26 8.839 -4.753 -2.684 1.00 0.00 H new ATOM 0 HA ILE B 26 8.228 -2.174 -1.688 1.00 0.00 H new ATOM 0 HB ILE B 26 10.684 -3.157 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.253 -3.043 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.925 -4.493 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.734 -1.297 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.497 -0.657 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.118 -0.878 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.196 -4.571 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.285 -4.528 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.618 -3.056 -0.867 1.00 0.00 H new ATOM 1151 N GLN B 27 8.540 -2.367 -4.994 1.00 0.00 N ATOM 1152 CA GLN B 27 8.219 -1.702 -6.257 1.00 0.00 C ATOM 1153 C GLN B 27 6.715 -1.433 -6.357 1.00 0.00 C ATOM 1154 O GLN B 27 6.318 -0.285 -6.533 1.00 0.00 O ATOM 1155 CB GLN B 27 8.678 -2.560 -7.454 1.00 0.00 C ATOM 1156 CG GLN B 27 10.179 -2.468 -7.752 1.00 0.00 C ATOM 1157 CD GLN B 27 10.575 -1.101 -8.317 1.00 0.00 C ATOM 1158 OE1 GLN B 27 10.414 -0.843 -9.505 1.00 0.00 O ATOM 1159 NE2 GLN B 27 11.091 -0.193 -7.510 1.00 0.00 N ATOM 0 H GLN B 27 8.962 -3.287 -5.119 1.00 0.00 H new ATOM 0 HA GLN B 27 8.749 -0.750 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.420 -3.601 -7.261 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.123 -2.254 -8.341 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.741 -2.658 -6.838 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.455 -3.247 -8.463 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.225 -0.406 -6.522 1.00 0.00 H new ATOM 0 HE22 GLN B 27 11.355 0.722 -7.875 1.00 0.00 H new ATOM 1168 N LYS B 28 5.870 -2.461 -6.231 1.00 0.00 N ATOM 1169 CA LYS B 28 4.412 -2.355 -6.321 1.00 0.00 C ATOM 1170 C LYS B 28 3.889 -1.280 -5.372 1.00 0.00 C ATOM 1171 O LYS B 28 3.003 -0.519 -5.759 1.00 0.00 O ATOM 1172 CB LYS B 28 3.771 -3.740 -6.078 1.00 0.00 C ATOM 1173 CG LYS B 28 4.006 -4.675 -7.283 1.00 0.00 C ATOM 1174 CD LYS B 28 3.944 -6.179 -6.968 1.00 0.00 C ATOM 1175 CE LYS B 28 2.526 -6.712 -6.742 1.00 0.00 C ATOM 1176 NZ LYS B 28 2.502 -8.191 -6.775 1.00 0.00 N ATOM 0 H LYS B 28 6.190 -3.414 -6.059 1.00 0.00 H new ATOM 0 HA LYS B 28 4.128 -2.039 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.193 -4.187 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.701 -3.625 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.263 -4.449 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.983 -4.450 -7.712 1.00 0.00 H new ATOM 0 HD2 LYS B 28 4.401 -6.731 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.542 -6.378 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS B 28 2.151 -6.360 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS B 28 1.859 -6.317 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 1.530 -8.526 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 2.838 -8.523 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 3.121 -8.565 -6.028 1.00 0.00 H new ATOM 1190 N ALA B 29 4.429 -1.185 -4.154 1.00 0.00 N ATOM 1191 CA ALA B 29 3.990 -0.177 -3.201 1.00 0.00 C ATOM 1192 C ALA B 29 4.295 1.232 -3.727 1.00 0.00 C ATOM 1193 O ALA B 29 3.513 2.136 -3.466 1.00 0.00 O ATOM 1194 CB ALA B 29 4.651 -0.412 -1.838 1.00 0.00 C ATOM 0 H ALA B 29 5.170 -1.796 -3.810 1.00 0.00 H new ATOM 0 HA ALA B 29 2.911 -0.261 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.314 0.349 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.375 -1.398 -1.465 1.00 0.00 H new ATOM 0 HB3 ALA B 29 5.734 -0.354 -1.944 1.00 0.00 H new ATOM 1200 N LEU B 30 5.396 1.450 -4.459 1.00 0.00 N ATOM 1201 CA LEU B 30 5.756 2.765 -5.004 1.00 0.00 C ATOM 1202 C LEU B 30 4.776 3.197 -6.087 1.00 0.00 C ATOM 1203 O LEU B 30 4.328 4.343 -6.055 1.00 0.00 O ATOM 1204 CB LEU B 30 7.176 2.780 -5.595 1.00 0.00 C ATOM 1205 CG LEU B 30 8.276 2.633 -4.542 1.00 0.00 C ATOM 1206 CD1 LEU B 30 9.608 2.304 -5.219 1.00 0.00 C ATOM 1207 CD2 LEU B 30 8.416 3.881 -3.655 1.00 0.00 C ATOM 0 H LEU B 30 6.065 0.715 -4.690 1.00 0.00 H new ATOM 0 HA LEU B 30 5.716 3.462 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU B 30 7.268 1.972 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU B 30 7.326 3.714 -6.137 1.00 0.00 H new ATOM 0 HG LEU B 30 7.988 1.812 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU B 30 10.385 2.201 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.514 1.369 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU B 30 9.875 3.107 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU B 30 9.210 3.722 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU B 30 8.660 4.743 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU B 30 7.476 4.064 -3.134 1.00 0.00 H new ATOM 1219 N VAL B 31 4.420 2.304 -7.015 1.00 0.00 N ATOM 1220 CA VAL B 31 3.488 2.604 -8.106 1.00 0.00 C ATOM 1221 C VAL B 31 2.182 3.174 -7.541 1.00 0.00 C ATOM 1222 O VAL B 31 1.620 4.144 -8.064 1.00 0.00 O ATOM 1223 CB VAL B 31 3.188 1.326 -8.934 1.00 0.00 C ATOM 1224 CG1 VAL B 31 2.362 1.648 -10.189 1.00 0.00 C ATOM 1225 CG2 VAL B 31 4.445 0.579 -9.399 1.00 0.00 C ATOM 0 H VAL B 31 4.772 1.347 -7.031 1.00 0.00 H new ATOM 0 HA VAL B 31 3.950 3.344 -8.759 1.00 0.00 H new ATOM 0 HB VAL B 31 2.632 0.687 -8.248 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.171 0.730 -10.744 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.414 2.098 -9.895 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.914 2.345 -10.819 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.154 -0.302 -9.971 1.00 0.00 H new ATOM 0 HG22 VAL B 31 5.048 1.236 -10.026 1.00 0.00 H new ATOM 0 HG23 VAL B 31 5.028 0.272 -8.531 1.00 0.00 H new ATOM 1235 N ILE B 32 1.726 2.587 -6.438 1.00 0.00 N ATOM 1236 CA ILE B 32 0.495 2.942 -5.768 1.00 0.00 C ATOM 1237 C ILE B 32 0.671 4.124 -4.799 1.00 0.00 C ATOM 1238 O ILE B 32 -0.206 4.981 -4.736 1.00 0.00 O ATOM 1239 CB ILE B 32 -0.067 1.661 -5.113 1.00 0.00 C ATOM 1240 CG1 ILE B 32 -0.136 0.452 -6.090 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -1.478 1.976 -4.627 1.00 0.00 C ATOM 1242 CD1 ILE B 32 -0.313 -0.896 -5.387 1.00 0.00 C ATOM 0 H ILE B 32 2.226 1.827 -5.977 1.00 0.00 H new ATOM 0 HA ILE B 32 -0.236 3.314 -6.485 1.00 0.00 H new ATOM 0 HB ILE B 32 0.603 1.375 -4.302 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.964 0.602 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE B 32 0.777 0.424 -6.685 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.907 1.091 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -1.440 2.789 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -2.097 2.273 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.353 -1.692 -6.131 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.528 -1.069 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -1.240 -0.888 -4.814 1.00 0.00 H new ATOM 1254 N ALA B 33 1.796 4.238 -4.088 1.00 0.00 N ATOM 1255 CA ALA B 33 2.059 5.327 -3.151 1.00 0.00 C ATOM 1256 C ALA B 33 2.481 6.614 -3.863 1.00 0.00 C ATOM 1257 O ALA B 33 2.734 7.627 -3.209 1.00 0.00 O ATOM 1258 CB ALA B 33 3.136 4.902 -2.155 1.00 0.00 C ATOM 0 H ALA B 33 2.560 3.565 -4.150 1.00 0.00 H new ATOM 0 HA ALA B 33 1.129 5.539 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.329 5.717 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA B 33 2.796 4.026 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.053 4.659 -2.692 1.00 0.00 H new ATOM 1264 N HIS B 34 2.544 6.585 -5.194 1.00 0.00 N ATOM 1265 CA HIS B 34 2.951 7.692 -6.054 1.00 0.00 C ATOM 1266 C HIS B 34 4.394 8.053 -5.689 1.00 0.00 C ATOM 1267 O HIS B 34 4.741 9.184 -5.346 1.00 0.00 O ATOM 1268 CB HIS B 34 1.939 8.853 -6.035 1.00 0.00 C ATOM 1269 CG HIS B 34 0.527 8.480 -6.441 1.00 0.00 C ATOM 1270 ND1 HIS B 34 -0.540 9.346 -6.540 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.078 7.244 -6.826 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -1.594 8.645 -6.995 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -1.259 7.360 -7.206 1.00 0.00 N ATOM 0 H HIS B 34 2.301 5.749 -5.725 1.00 0.00 H new ATOM 0 HA HIS B 34 2.943 7.403 -7.105 1.00 0.00 H new ATOM 0 HB2 HIS B 34 1.912 9.275 -5.030 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.297 9.638 -6.701 1.00 0.00 H new ATOM 0 HD2 HIS B 34 0.660 6.335 -6.834 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -2.577 9.058 -7.168 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.860 6.621 -7.570 1.00 0.00 H new ATOM 1281 N ASN B 35 5.236 7.015 -5.729 1.00 0.00 N ATOM 1282 CA ASN B 35 6.669 6.980 -5.450 1.00 0.00 C ATOM 1283 C ASN B 35 7.034 7.477 -4.046 1.00 0.00 C ATOM 1284 O ASN B 35 8.203 7.758 -3.779 1.00 0.00 O ATOM 1285 CB ASN B 35 7.463 7.657 -6.585 1.00 0.00 C ATOM 1286 CG ASN B 35 7.438 6.851 -7.884 1.00 0.00 C ATOM 1287 OD1 ASN B 35 6.468 6.173 -8.215 1.00 0.00 O ATOM 1288 ND2 ASN B 35 8.505 6.880 -8.660 1.00 0.00 N ATOM 0 H ASN B 35 4.893 6.089 -5.983 1.00 0.00 H new ATOM 0 HA ASN B 35 6.973 5.933 -5.435 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.051 8.649 -6.770 1.00 0.00 H new ATOM 0 HB3 ASN B 35 8.497 7.795 -6.268 1.00 0.00 H new ATOM 0 HD21 ASN B 35 8.520 6.342 -9.527 1.00 0.00 H new ATOM 0 HD22 ASN B 35 9.315 7.440 -8.393 1.00 0.00 H new ATOM 1295 N ASN B 36 6.057 7.605 -3.143 1.00 0.00 N ATOM 1296 CA ASN B 36 6.288 8.054 -1.775 1.00 0.00 C ATOM 1297 C ASN B 36 6.866 6.875 -0.989 1.00 0.00 C ATOM 1298 O ASN B 36 6.130 5.934 -0.691 1.00 0.00 O ATOM 1299 CB ASN B 36 4.987 8.575 -1.155 1.00 0.00 C ATOM 1300 CG ASN B 36 5.188 9.103 0.266 1.00 0.00 C ATOM 1301 OD1 ASN B 36 6.016 8.623 1.028 1.00 0.00 O ATOM 1302 ND2 ASN B 36 4.403 10.077 0.678 1.00 0.00 N ATOM 0 H ASN B 36 5.079 7.398 -3.346 1.00 0.00 H new ATOM 0 HA ASN B 36 6.995 8.883 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN B 36 4.582 9.370 -1.781 1.00 0.00 H new ATOM 0 HB3 ASN B 36 4.248 7.774 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN B 36 4.486 10.430 1.631 1.00 0.00 H new ATOM 0 HD22 ASN B 36 3.712 10.478 0.044 1.00 0.00 H new ATOM 1309 N ILE B 37 8.167 6.902 -0.687 1.00 0.00 N ATOM 1310 CA ILE B 37 8.848 5.840 0.053 1.00 0.00 C ATOM 1311 C ILE B 37 8.211 5.630 1.430 1.00 0.00 C ATOM 1312 O ILE B 37 8.006 4.490 1.830 1.00 0.00 O ATOM 1313 CB ILE B 37 10.376 6.109 0.135 1.00 0.00 C ATOM 1314 CG1 ILE B 37 11.161 5.049 0.949 1.00 0.00 C ATOM 1315 CG2 ILE B 37 10.722 7.478 0.755 1.00 0.00 C ATOM 1316 CD1 ILE B 37 11.300 3.667 0.300 1.00 0.00 C ATOM 0 H ILE B 37 8.782 7.671 -0.953 1.00 0.00 H new ATOM 0 HA ILE B 37 8.723 4.905 -0.494 1.00 0.00 H new ATOM 0 HB ILE B 37 10.678 6.072 -0.912 1.00 0.00 H new ATOM 0 HG12 ILE B 37 12.160 5.438 1.145 1.00 0.00 H new ATOM 0 HG13 ILE B 37 10.671 4.927 1.915 1.00 0.00 H new ATOM 0 HG21 ILE B 37 11.805 7.602 0.782 1.00 0.00 H new ATOM 0 HG22 ILE B 37 10.281 8.272 0.153 1.00 0.00 H new ATOM 0 HG23 ILE B 37 10.325 7.529 1.769 1.00 0.00 H new ATOM 0 HD11 ILE B 37 11.867 3.010 0.960 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.310 3.244 0.130 1.00 0.00 H new ATOM 0 HD13 ILE B 37 11.822 3.763 -0.652 1.00 0.00 H new ATOM 1328 N GLU B 38 7.911 6.690 2.184 1.00 0.00 N ATOM 1329 CA GLU B 38 7.322 6.548 3.512 1.00 0.00 C ATOM 1330 C GLU B 38 5.955 5.873 3.456 1.00 0.00 C ATOM 1331 O GLU B 38 5.689 4.926 4.193 1.00 0.00 O ATOM 1332 CB GLU B 38 7.143 7.901 4.205 1.00 0.00 C ATOM 1333 CG GLU B 38 8.444 8.569 4.673 1.00 0.00 C ATOM 1334 CD GLU B 38 8.233 9.453 5.912 1.00 0.00 C ATOM 1335 OE1 GLU B 38 7.303 9.185 6.707 1.00 0.00 O ATOM 1336 OE2 GLU B 38 9.119 10.288 6.238 1.00 0.00 O ATOM 0 H GLU B 38 8.067 7.656 1.895 1.00 0.00 H new ATOM 0 HA GLU B 38 8.020 5.931 4.078 1.00 0.00 H new ATOM 0 HB2 GLU B 38 6.631 8.578 3.521 1.00 0.00 H new ATOM 0 HB3 GLU B 38 6.491 7.767 5.068 1.00 0.00 H new ATOM 0 HG2 GLU B 38 9.183 7.801 4.899 1.00 0.00 H new ATOM 0 HG3 GLU B 38 8.851 9.174 3.863 1.00 0.00 H new ATOM 1343 N MET B 39 5.080 6.382 2.597 1.00 0.00 N ATOM 1344 CA MET B 39 3.734 5.872 2.405 1.00 0.00 C ATOM 1345 C MET B 39 3.829 4.406 1.993 1.00 0.00 C ATOM 1346 O MET B 39 3.128 3.568 2.552 1.00 0.00 O ATOM 1347 CB MET B 39 3.075 6.747 1.348 1.00 0.00 C ATOM 1348 CG MET B 39 1.576 6.609 1.139 1.00 0.00 C ATOM 1349 SD MET B 39 0.992 7.959 0.072 1.00 0.00 S ATOM 1350 CE MET B 39 -0.791 7.880 0.342 1.00 0.00 C ATOM 0 H MET B 39 5.296 7.181 2.001 1.00 0.00 H new ATOM 0 HA MET B 39 3.129 5.910 3.311 1.00 0.00 H new ATOM 0 HB2 MET B 39 3.282 7.787 1.599 1.00 0.00 H new ATOM 0 HB3 MET B 39 3.565 6.545 0.395 1.00 0.00 H new ATOM 0 HG2 MET B 39 1.348 5.645 0.684 1.00 0.00 H new ATOM 0 HG3 MET B 39 1.059 6.639 2.098 1.00 0.00 H new ATOM 0 HE1 MET B 39 -1.271 8.726 -0.150 1.00 0.00 H new ATOM 0 HE2 MET B 39 -1.181 6.950 -0.073 1.00 0.00 H new ATOM 0 HE3 MET B 39 -0.999 7.916 1.411 1.00 0.00 H new ATOM 1360 N ALA B 40 4.726 4.086 1.055 1.00 0.00 N ATOM 1361 CA ALA B 40 4.933 2.730 0.587 1.00 0.00 C ATOM 1362 C ALA B 40 5.390 1.836 1.747 1.00 0.00 C ATOM 1363 O ALA B 40 4.905 0.713 1.885 1.00 0.00 O ATOM 1364 CB ALA B 40 5.952 2.741 -0.553 1.00 0.00 C ATOM 0 H ALA B 40 5.329 4.773 0.602 1.00 0.00 H new ATOM 0 HA ALA B 40 3.997 2.320 0.207 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.111 1.723 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.577 3.356 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA B 40 6.896 3.151 -0.194 1.00 0.00 H new ATOM 1370 N LYS B 41 6.292 2.320 2.607 1.00 0.00 N ATOM 1371 CA LYS B 41 6.788 1.562 3.757 1.00 0.00 C ATOM 1372 C LYS B 41 5.654 1.231 4.708 1.00 0.00 C ATOM 1373 O LYS B 41 5.645 0.133 5.261 1.00 0.00 O ATOM 1374 CB LYS B 41 7.837 2.366 4.523 1.00 0.00 C ATOM 1375 CG LYS B 41 9.201 2.334 3.847 1.00 0.00 C ATOM 1376 CD LYS B 41 10.116 3.324 4.564 1.00 0.00 C ATOM 1377 CE LYS B 41 11.557 3.116 4.115 1.00 0.00 C ATOM 1378 NZ LYS B 41 12.503 3.549 5.154 1.00 0.00 N ATOM 0 H LYS B 41 6.699 3.252 2.524 1.00 0.00 H new ATOM 0 HA LYS B 41 7.233 0.643 3.375 1.00 0.00 H new ATOM 0 HB2 LYS B 41 7.504 3.400 4.613 1.00 0.00 H new ATOM 0 HB3 LYS B 41 7.927 1.970 5.535 1.00 0.00 H new ATOM 0 HG2 LYS B 41 9.622 1.329 3.889 1.00 0.00 H new ATOM 0 HG3 LYS B 41 9.109 2.597 2.793 1.00 0.00 H new ATOM 0 HD2 LYS B 41 9.802 4.345 4.348 1.00 0.00 H new ATOM 0 HD3 LYS B 41 10.039 3.189 5.643 1.00 0.00 H new ATOM 0 HE2 LYS B 41 11.721 2.063 3.885 1.00 0.00 H new ATOM 0 HE3 LYS B 41 11.739 3.675 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 13.477 3.396 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 12.360 4.559 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 12.342 2.998 6.021 1.00 0.00 H new ATOM 1392 N ASN B 42 4.718 2.165 4.889 1.00 0.00 N ATOM 1393 CA ASN B 42 3.565 1.995 5.762 1.00 0.00 C ATOM 1394 C ASN B 42 2.707 0.841 5.239 1.00 0.00 C ATOM 1395 O ASN B 42 2.188 0.064 6.039 1.00 0.00 O ATOM 1396 CB ASN B 42 2.761 3.300 5.874 1.00 0.00 C ATOM 1397 CG ASN B 42 3.555 4.478 6.437 1.00 0.00 C ATOM 1398 OD1 ASN B 42 4.480 4.320 7.228 1.00 0.00 O ATOM 1399 ND2 ASN B 42 3.194 5.701 6.088 1.00 0.00 N ATOM 0 H ASN B 42 4.744 3.073 4.424 1.00 0.00 H new ATOM 0 HA ASN B 42 3.904 1.750 6.769 1.00 0.00 H new ATOM 0 HB2 ASN B 42 2.385 3.568 4.887 1.00 0.00 H new ATOM 0 HB3 ASN B 42 1.892 3.125 6.509 1.00 0.00 H new ATOM 0 HD21 ASN B 42 3.684 6.507 6.476 1.00 0.00 H new ATOM 0 HD22 ASN B 42 2.426 5.838 5.431 1.00 0.00 H new ATOM 1406 N ILE B 43 2.555 0.703 3.911 1.00 0.00 N ATOM 1407 CA ILE B 43 1.782 -0.385 3.298 1.00 0.00 C ATOM 1408 C ILE B 43 2.458 -1.690 3.737 1.00 0.00 C ATOM 1409 O ILE B 43 1.806 -2.602 4.255 1.00 0.00 O ATOM 1410 CB ILE B 43 1.691 -0.228 1.756 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.009 1.108 1.387 1.00 0.00 C ATOM 1412 CG2 ILE B 43 0.902 -1.386 1.143 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.024 1.480 -0.100 1.00 0.00 C ATOM 0 H ILE B 43 2.966 1.345 3.233 1.00 0.00 H new ATOM 0 HA ILE B 43 0.744 -0.375 3.629 1.00 0.00 H new ATOM 0 HB ILE B 43 2.705 -0.235 1.357 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -0.028 1.069 1.721 1.00 0.00 H new ATOM 0 HG13 ILE B 43 1.494 1.908 1.946 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.849 -1.258 0.062 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.400 -2.328 1.373 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -0.106 -1.398 1.557 1.00 0.00 H new ATOM 0 HD11 ILE B 43 0.518 2.435 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.055 1.561 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE B 43 0.509 0.709 -0.673 1.00 0.00 H new ATOM 1425 N LEU B 44 3.787 -1.749 3.594 1.00 0.00 N ATOM 1426 CA LEU B 44 4.620 -2.886 3.976 1.00 0.00 C ATOM 1427 C LEU B 44 4.743 -3.015 5.504 1.00 0.00 C ATOM 1428 O LEU B 44 5.665 -3.673 5.979 1.00 0.00 O ATOM 1429 CB LEU B 44 6.027 -2.787 3.347 1.00 0.00 C ATOM 1430 CG LEU B 44 6.097 -2.652 1.818 1.00 0.00 C ATOM 1431 CD1 LEU B 44 7.562 -2.722 1.388 1.00 0.00 C ATOM 1432 CD2 LEU B 44 5.311 -3.737 1.080 1.00 0.00 C ATOM 0 H LEU B 44 4.326 -0.980 3.196 1.00 0.00 H new ATOM 0 HA LEU B 44 4.125 -3.779 3.594 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.536 -1.929 3.787 1.00 0.00 H new ATOM 0 HB3 LEU B 44 6.591 -3.674 3.635 1.00 0.00 H new ATOM 0 HG LEU B 44 5.644 -1.696 1.556 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.628 -2.628 0.304 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.118 -1.911 1.857 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.986 -3.678 1.695 1.00 0.00 H new ATOM 0 HD21 LEU B 44 5.402 -3.584 0.005 1.00 0.00 H new ATOM 0 HD22 LEU B 44 5.710 -4.717 1.342 1.00 0.00 H new ATOM 0 HD23 LEU B 44 4.261 -3.684 1.367 1.00 0.00 H new ATOM 1444 N ARG B 45 3.910 -2.342 6.303 1.00 0.00 N ATOM 1445 CA ARG B 45 3.943 -2.414 7.763 1.00 0.00 C ATOM 1446 C ARG B 45 2.559 -2.654 8.355 1.00 0.00 C ATOM 1447 O ARG B 45 2.365 -2.507 9.561 1.00 0.00 O ATOM 1448 CB ARG B 45 4.605 -1.161 8.352 1.00 0.00 C ATOM 1449 CG ARG B 45 5.505 -1.617 9.503 1.00 0.00 C ATOM 1450 CD ARG B 45 5.995 -0.465 10.374 1.00 0.00 C ATOM 1451 NE ARG B 45 4.878 0.049 11.175 1.00 0.00 N ATOM 1452 CZ ARG B 45 4.907 0.950 12.152 1.00 0.00 C ATOM 1453 NH1 ARG B 45 6.057 1.414 12.627 1.00 0.00 N ATOM 1454 NH2 ARG B 45 3.748 1.378 12.635 1.00 0.00 N ATOM 0 H ARG B 45 3.183 -1.722 5.946 1.00 0.00 H new ATOM 0 HA ARG B 45 4.551 -3.276 8.039 1.00 0.00 H new ATOM 0 HB2 ARG B 45 5.188 -0.641 7.592 1.00 0.00 H new ATOM 0 HB3 ARG B 45 3.850 -0.460 8.709 1.00 0.00 H new ATOM 0 HG2 ARG B 45 4.958 -2.327 10.124 1.00 0.00 H new ATOM 0 HG3 ARG B 45 6.366 -2.147 9.095 1.00 0.00 H new ATOM 0 HD2 ARG B 45 6.799 -0.805 11.027 1.00 0.00 H new ATOM 0 HD3 ARG B 45 6.405 0.329 9.750 1.00 0.00 H new ATOM 0 HE ARG B 45 3.960 -0.335 10.953 1.00 0.00 H new ATOM 0 HH11 ARG B 45 6.940 1.079 12.242 1.00 0.00 H new ATOM 0 HH12 ARG B 45 6.057 2.105 13.377 1.00 0.00 H new ATOM 0 HH21 ARG B 45 2.873 1.016 12.256 1.00 0.00 H new ATOM 0 HH22 ARG B 45 3.732 2.069 13.385 1.00 0.00 H new ATOM 1468 N GLU B 46 1.588 -2.970 7.512 1.00 0.00 N ATOM 1469 CA GLU B 46 0.207 -3.258 7.855 1.00 0.00 C ATOM 1470 C GLU B 46 -0.259 -4.461 7.041 1.00 0.00 C ATOM 1471 O GLU B 46 -0.881 -5.368 7.593 1.00 0.00 O ATOM 1472 CB GLU B 46 -0.659 -2.029 7.560 1.00 0.00 C ATOM 1473 CG GLU B 46 -0.468 -0.921 8.600 1.00 0.00 C ATOM 1474 CD GLU B 46 -1.092 -1.261 9.960 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -2.325 -1.484 10.048 1.00 0.00 O ATOM 1476 OE2 GLU B 46 -0.338 -1.323 10.961 1.00 0.00 O ATOM 0 H GLU B 46 1.756 -3.036 6.508 1.00 0.00 H new ATOM 0 HA GLU B 46 0.118 -3.492 8.916 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -0.413 -1.643 6.571 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -1.708 -2.324 7.535 1.00 0.00 H new ATOM 0 HG2 GLU B 46 0.598 -0.734 8.732 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -0.909 0.002 8.225 1.00 0.00 H new ATOM 1483 N PHE B 47 -0.001 -4.476 5.732 1.00 0.00 N ATOM 1484 CA PHE B 47 -0.395 -5.581 4.876 1.00 0.00 C ATOM 1485 C PHE B 47 0.728 -6.612 4.903 1.00 0.00 C ATOM 1486 O PHE B 47 0.639 -7.601 5.631 1.00 0.00 O ATOM 1487 CB PHE B 47 -0.738 -5.064 3.477 1.00 0.00 C ATOM 1488 CG PHE B 47 -2.063 -4.322 3.429 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -2.127 -2.949 3.740 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -3.237 -5.002 3.052 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -3.364 -2.285 3.760 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -4.474 -4.343 3.083 1.00 0.00 C ATOM 1493 CZ PHE B 47 -4.538 -2.992 3.450 1.00 0.00 C ATOM 0 H PHE B 47 0.485 -3.724 5.244 1.00 0.00 H new ATOM 0 HA PHE B 47 -1.302 -6.070 5.231 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.057 -4.401 3.135 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.772 -5.904 2.783 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -1.221 -2.405 3.964 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -3.184 -6.034 2.738 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.413 -1.236 4.012 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -5.377 -4.876 2.824 1.00 0.00 H new ATOM 0 HZ PHE B 47 -5.494 -2.492 3.495 1.00 0.00 H new ATOM 1503 N SER B 48 1.786 -6.375 4.129 1.00 0.00 N ATOM 1504 CA SER B 48 2.941 -7.255 4.053 1.00 0.00 C ATOM 1505 C SER B 48 3.746 -7.215 5.360 1.00 0.00 C ATOM 1506 O SER B 48 3.685 -6.229 6.097 1.00 0.00 O ATOM 1507 CB SER B 48 3.762 -6.841 2.829 1.00 0.00 C ATOM 1508 OG SER B 48 3.018 -7.172 1.672 1.00 0.00 O ATOM 0 H SER B 48 1.862 -5.553 3.530 1.00 0.00 H new ATOM 0 HA SER B 48 2.634 -8.294 3.933 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.972 -5.772 2.854 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.724 -7.354 2.824 1.00 0.00 H new ATOM 0 HG SER B 48 3.628 -7.471 0.965 1.00 0.00 H new ATOM 1514 N GLY B 49 4.509 -8.280 5.628 1.00 0.00 N ATOM 1515 CA GLY B 49 5.338 -8.447 6.820 1.00 0.00 C ATOM 1516 C GLY B 49 6.740 -8.976 6.484 1.00 0.00 C ATOM 1517 O GLY B 49 7.077 -9.095 5.303 1.00 0.00 O ATOM 0 H GLY B 49 4.566 -9.078 4.995 1.00 0.00 H new ATOM 0 HA2 GLY B 49 5.427 -7.491 7.335 1.00 0.00 H new ATOM 0 HA3 GLY B 49 4.847 -9.136 7.508 1.00 0.00 H new ATOM 1521 N PRO B 50 7.582 -9.245 7.499 1.00 0.00 N ATOM 1522 CA PRO B 50 8.946 -9.748 7.324 1.00 0.00 C ATOM 1523 C PRO B 50 8.980 -11.208 6.857 1.00 0.00 C ATOM 1524 O PRO B 50 7.955 -11.887 6.807 1.00 0.00 O ATOM 1525 CB PRO B 50 9.591 -9.626 8.713 1.00 0.00 C ATOM 1526 CG PRO B 50 8.406 -9.804 9.659 1.00 0.00 C ATOM 1527 CD PRO B 50 7.260 -9.125 8.915 1.00 0.00 C ATOM 0 HA PRO B 50 9.470 -9.181 6.554 1.00 0.00 H new ATOM 0 HB2 PRO B 50 10.353 -10.389 8.873 1.00 0.00 H new ATOM 0 HB3 PRO B 50 10.075 -8.659 8.850 1.00 0.00 H new ATOM 0 HG2 PRO B 50 8.196 -10.857 9.847 1.00 0.00 H new ATOM 0 HG3 PRO B 50 8.590 -9.338 10.627 1.00 0.00 H new ATOM 0 HD2 PRO B 50 6.308 -9.604 9.142 1.00 0.00 H new ATOM 0 HD3 PRO B 50 7.168 -8.079 9.208 1.00 0.00 H new ATOM 1535 N SER B 51 10.175 -11.708 6.552 1.00 0.00 N ATOM 1536 CA SER B 51 10.418 -13.075 6.112 1.00 0.00 C ATOM 1537 C SER B 51 11.834 -13.469 6.541 1.00 0.00 C ATOM 1538 O SER B 51 12.652 -12.595 6.852 1.00 0.00 O ATOM 1539 CB SER B 51 10.300 -13.176 4.585 1.00 0.00 C ATOM 1540 OG SER B 51 9.196 -12.467 4.049 1.00 0.00 O ATOM 0 H SER B 51 11.028 -11.152 6.607 1.00 0.00 H new ATOM 0 HA SER B 51 9.680 -13.742 6.559 1.00 0.00 H new ATOM 0 HB2 SER B 51 11.217 -12.798 4.133 1.00 0.00 H new ATOM 0 HB3 SER B 51 10.216 -14.226 4.305 1.00 0.00 H new ATOM 0 HG SER B 51 9.513 -11.645 3.619 1.00 0.00 H new ATOM 1546 N SER B 52 12.139 -14.766 6.554 1.00 0.00 N ATOM 1547 CA SER B 52 13.448 -15.288 6.920 1.00 0.00 C ATOM 1548 C SER B 52 13.696 -16.556 6.108 1.00 0.00 C ATOM 1549 O SER B 52 12.767 -17.330 5.856 1.00 0.00 O ATOM 1550 CB SER B 52 13.513 -15.530 8.434 1.00 0.00 C ATOM 1551 OG SER B 52 12.422 -16.308 8.898 1.00 0.00 O ATOM 0 H SER B 52 11.469 -15.494 6.305 1.00 0.00 H new ATOM 0 HA SER B 52 14.237 -14.572 6.689 1.00 0.00 H new ATOM 0 HB2 SER B 52 14.448 -16.034 8.680 1.00 0.00 H new ATOM 0 HB3 SER B 52 13.521 -14.572 8.954 1.00 0.00 H new ATOM 0 HG SER B 52 12.503 -16.440 9.866 1.00 0.00 H new ATOM 1557 N GLY B 53 14.931 -16.801 5.690 1.00 0.00 N ATOM 1558 CA GLY B 53 15.335 -17.952 4.897 1.00 0.00 C ATOM 1559 C GLY B 53 16.612 -17.538 4.220 1.00 0.00 C ATOM 1560 O GLY B 53 16.593 -17.308 2.987 1.00 0.00 O ATOM 0 H GLY B 53 15.709 -16.177 5.903 1.00 0.00 H new ATOM 0 HA2 GLY B 53 15.490 -18.829 5.526 1.00 0.00 H new ATOM 0 HA3 GLY B 53 14.570 -18.215 4.167 1.00 0.00 H new TER 1564 GLY B 53