USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 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 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -175:sc= 0.0918 (180deg=0.0862) USER MOD Set 2.1: A 29 GLN : amide:sc= 1.05 K(o=1.7,f=-0.18) USER MOD Set 2.2: A 32 THR OG1 : rot 156:sc= 0.66 USER MOD Set 3.1: A 12 ASN : amide:sc= 0.831 K(o=1.1,f=-2.5) USER MOD Set 3.2: A 16 LYS NZ :NH3+ 164:sc= 0.262 (180deg=0) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 17 GLN : amide:sc= 0.503 K(o=0.5,f=0) USER MOD Single : A 3 GLN : amide:sc= -0.0366 K(o=-0.037,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0327 K(o=-0.033,f=-0.8) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 3.13 (180deg=2.91) USER MOD Single : A 10 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.04) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 CYS SG : rot 75:sc= 0.431 USER MOD Single : A 27 TYR OH : rot -16:sc= 1.33 USER MOD Single : A 34 GLN : amide:sc= 2.02 K(o=2,f=0.24) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot -163:sc= 1.21 USER MOD Single : A 42 SER OG : rot -35:sc= 0.0669 USER MOD Single : A 43 ASN : amide:sc= 0.295 K(o=0.3,f=-1.7) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.21) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 59 GLN : amide:sc= -0.622 K(o=-0.62,f=-1.3) USER MOD Single : A 60 MET CE :methyl 170:sc= -0.0133 (180deg=-0.164) USER MOD Single : A 61 CYS SG : rot 75:sc= 0.74 USER MOD Single : A 62 GLN : amide:sc= 0.917 K(o=0.92,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 73 HIS : no HD1:sc= -0.0094 X(o=-0.0094,f=-0.0094) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.318 K(o=0.32,f=-0.33) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.851 K(o=0.85,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 16.235 10.274 -9.415 1.00 0.00 N ATOM 31 CA GLN A 3 16.488 10.021 -7.986 1.00 0.00 C ATOM 32 C GLN A 3 15.198 10.021 -7.148 1.00 0.00 C ATOM 33 O GLN A 3 15.097 9.257 -6.190 1.00 0.00 O ATOM 34 CB GLN A 3 17.502 11.026 -7.412 1.00 0.00 C ATOM 35 CG GLN A 3 18.940 10.831 -7.915 1.00 0.00 C ATOM 36 CD GLN A 3 19.656 9.608 -7.349 1.00 0.00 C ATOM 37 OE1 GLN A 3 19.081 8.744 -6.694 1.00 0.00 O ATOM 38 NE2 GLN A 3 20.925 9.447 -7.641 1.00 0.00 N ATOM 0 HA GLN A 3 16.914 9.020 -7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 3 17.176 12.036 -7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.496 10.949 -6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 3 18.922 10.753 -9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.520 11.720 -7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 3 21.417 10.156 -8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 3 21.419 8.613 -7.324 1.00 0.00 H new ATOM 47 N PHE A 4 14.170 10.783 -7.535 1.00 0.00 N ATOM 48 CA PHE A 4 12.874 10.806 -6.842 1.00 0.00 C ATOM 49 C PHE A 4 12.064 9.514 -7.062 1.00 0.00 C ATOM 50 O PHE A 4 11.317 9.064 -6.190 1.00 0.00 O ATOM 51 CB PHE A 4 12.126 12.091 -7.242 1.00 0.00 C ATOM 52 CG PHE A 4 10.701 11.942 -7.745 1.00 0.00 C ATOM 53 CD1 PHE A 4 9.679 11.633 -6.833 1.00 0.00 C ATOM 54 CD2 PHE A 4 10.374 12.196 -9.089 1.00 0.00 C ATOM 55 CE1 PHE A 4 8.329 11.668 -7.223 1.00 0.00 C ATOM 56 CE2 PHE A 4 9.030 12.178 -9.497 1.00 0.00 C ATOM 57 CZ PHE A 4 8.011 11.921 -8.567 1.00 0.00 C ATOM 0 H PHE A 4 14.212 11.405 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 4 13.034 10.830 -5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.110 12.755 -6.377 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.706 12.591 -8.017 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.934 11.365 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.154 12.404 -9.806 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.546 11.502 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.780 12.363 -10.531 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.979 11.918 -8.886 1.00 0.00 H new ATOM 67 N GLU A 5 12.231 8.877 -8.217 1.00 0.00 N ATOM 68 CA GLU A 5 11.805 7.500 -8.516 1.00 0.00 C ATOM 69 C GLU A 5 12.645 6.450 -7.771 1.00 0.00 C ATOM 70 O GLU A 5 12.142 5.375 -7.434 1.00 0.00 O ATOM 71 CB GLU A 5 11.885 7.247 -10.031 1.00 0.00 C ATOM 72 CG GLU A 5 11.273 8.317 -10.955 1.00 0.00 C ATOM 73 CD GLU A 5 9.735 8.275 -11.032 1.00 0.00 C ATOM 74 OE1 GLU A 5 9.079 7.993 -9.999 1.00 0.00 O ATOM 75 OE2 GLU A 5 9.164 8.506 -12.127 1.00 0.00 O ATOM 0 H GLU A 5 12.688 9.322 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 5 10.776 7.398 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.935 7.129 -10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.394 6.297 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.582 9.303 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.680 8.191 -11.958 1.00 0.00 H new ATOM 83 N LYS A 6 13.904 6.762 -7.456 1.00 0.00 N ATOM 84 CA LYS A 6 14.817 5.854 -6.755 1.00 0.00 C ATOM 85 C LYS A 6 14.587 5.829 -5.243 1.00 0.00 C ATOM 86 O LYS A 6 14.465 4.740 -4.683 1.00 0.00 O ATOM 87 CB LYS A 6 16.263 6.183 -7.164 1.00 0.00 C ATOM 88 CG LYS A 6 17.118 4.923 -7.353 1.00 0.00 C ATOM 89 CD LYS A 6 17.715 4.341 -6.064 1.00 0.00 C ATOM 90 CE LYS A 6 18.853 5.201 -5.505 1.00 0.00 C ATOM 91 NZ LYS A 6 19.337 4.699 -4.199 1.00 0.00 N ATOM 0 H LYS A 6 14.324 7.663 -7.683 1.00 0.00 H new ATOM 0 HA LYS A 6 14.608 4.829 -7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.254 6.755 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.718 6.817 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.507 4.157 -7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.932 5.155 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.930 4.249 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.087 3.335 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.679 5.216 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.509 6.229 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.106 5.309 -3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.556 4.708 -3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.689 3.727 -4.310 1.00 0.00 H new ATOM 105 N GLN A 7 14.430 6.981 -4.571 1.00 0.00 N ATOM 106 CA GLN A 7 14.217 6.961 -3.112 1.00 0.00 C ATOM 107 C GLN A 7 12.883 6.321 -2.714 1.00 0.00 C ATOM 108 O GLN A 7 12.799 5.767 -1.618 1.00 0.00 O ATOM 109 CB GLN A 7 14.347 8.308 -2.372 1.00 0.00 C ATOM 110 CG GLN A 7 14.955 9.516 -3.083 1.00 0.00 C ATOM 111 CD GLN A 7 15.271 10.644 -2.089 1.00 0.00 C ATOM 112 OE1 GLN A 7 15.725 10.421 -0.967 1.00 0.00 O ATOM 113 NE2 GLN A 7 15.062 11.890 -2.449 1.00 0.00 N ATOM 0 H GLN A 7 14.445 7.909 -4.995 1.00 0.00 H new ATOM 0 HA GLN A 7 15.057 6.347 -2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 7 13.348 8.595 -2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.939 8.129 -1.474 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.867 9.216 -3.599 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.264 9.880 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.686 12.097 -3.374 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.275 12.650 -1.803 1.00 0.00 H new ATOM 122 N LYS A 8 11.848 6.353 -3.573 1.00 0.00 N ATOM 123 CA LYS A 8 10.589 5.661 -3.254 1.00 0.00 C ATOM 124 C LYS A 8 10.789 4.140 -3.157 1.00 0.00 C ATOM 125 O LYS A 8 10.388 3.539 -2.159 1.00 0.00 O ATOM 126 CB LYS A 8 9.409 6.094 -4.152 1.00 0.00 C ATOM 127 CG LYS A 8 9.643 5.982 -5.666 1.00 0.00 C ATOM 128 CD LYS A 8 8.381 6.260 -6.509 1.00 0.00 C ATOM 129 CE LYS A 8 7.885 7.716 -6.492 1.00 0.00 C ATOM 130 NZ LYS A 8 8.706 8.601 -7.349 1.00 0.00 N ATOM 0 H LYS A 8 11.857 6.838 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 8 10.288 5.985 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.539 5.490 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.160 7.129 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.426 6.683 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.010 4.981 -5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.584 5.975 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.577 5.616 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.849 7.748 -6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.900 8.090 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.284 9.551 -7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.670 8.660 -6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.741 8.215 -8.314 1.00 0.00 H new ATOM 144 N GLU A 9 11.495 3.520 -4.104 1.00 0.00 N ATOM 145 CA GLU A 9 11.791 2.076 -4.039 1.00 0.00 C ATOM 146 C GLU A 9 12.895 1.705 -3.029 1.00 0.00 C ATOM 147 O GLU A 9 12.771 0.676 -2.360 1.00 0.00 O ATOM 148 CB GLU A 9 12.103 1.522 -5.438 1.00 0.00 C ATOM 149 CG GLU A 9 10.836 1.227 -6.260 1.00 0.00 C ATOM 150 CD GLU A 9 10.153 -0.103 -5.895 1.00 0.00 C ATOM 151 OE1 GLU A 9 10.044 -0.440 -4.690 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.663 -0.793 -6.827 1.00 0.00 O ATOM 0 H GLU A 9 11.875 3.989 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 9 10.886 1.600 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.722 2.239 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.687 0.607 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.125 2.041 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.096 1.212 -7.318 1.00 0.00 H new ATOM 160 N GLN A 10 13.926 2.535 -2.831 1.00 0.00 N ATOM 161 CA GLN A 10 14.957 2.271 -1.814 1.00 0.00 C ATOM 162 C GLN A 10 14.411 2.464 -0.389 1.00 0.00 C ATOM 163 O GLN A 10 14.642 1.627 0.481 1.00 0.00 O ATOM 164 CB GLN A 10 16.205 3.113 -2.111 1.00 0.00 C ATOM 165 CG GLN A 10 17.473 2.606 -1.392 1.00 0.00 C ATOM 166 CD GLN A 10 17.720 3.190 0.000 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.928 2.477 0.978 1.00 0.00 O ATOM 168 NE2 GLN A 10 17.759 4.499 0.129 1.00 0.00 N ATOM 0 H GLN A 10 14.071 3.395 -3.360 1.00 0.00 H new ATOM 0 HA GLN A 10 15.254 1.224 -1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.384 3.117 -3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 10 16.017 4.145 -1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.411 1.521 -1.306 1.00 0.00 H new ATOM 0 HG3 GLN A 10 18.337 2.827 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 10 17.587 5.096 -0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.961 4.916 1.038 1.00 0.00 H new ATOM 177 N GLY A 11 13.582 3.486 -0.156 1.00 0.00 N ATOM 178 CA GLY A 11 12.842 3.666 1.097 1.00 0.00 C ATOM 179 C GLY A 11 11.830 2.542 1.354 1.00 0.00 C ATOM 180 O GLY A 11 11.690 2.087 2.484 1.00 0.00 O ATOM 0 H GLY A 11 13.404 4.221 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.547 3.711 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.318 4.622 1.071 1.00 0.00 H new ATOM 184 N ASN A 12 11.194 2.005 0.310 1.00 0.00 N ATOM 185 CA ASN A 12 10.381 0.788 0.409 1.00 0.00 C ATOM 186 C ASN A 12 11.218 -0.437 0.839 1.00 0.00 C ATOM 187 O ASN A 12 10.793 -1.179 1.722 1.00 0.00 O ATOM 188 CB ASN A 12 9.665 0.600 -0.929 1.00 0.00 C ATOM 189 CG ASN A 12 8.823 -0.654 -0.990 1.00 0.00 C ATOM 190 OD1 ASN A 12 8.177 -1.057 -0.036 1.00 0.00 O ATOM 191 ND2 ASN A 12 8.808 -1.298 -2.126 1.00 0.00 N ATOM 0 H ASN A 12 11.228 2.401 -0.629 1.00 0.00 H new ATOM 0 HA ASN A 12 9.636 0.891 1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.029 1.465 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.406 0.570 -1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.252 -2.148 -2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.352 -0.951 -2.916 1.00 0.00 H new ATOM 198 N SER A 13 12.443 -0.593 0.324 1.00 0.00 N ATOM 199 CA SER A 13 13.389 -1.609 0.814 1.00 0.00 C ATOM 200 C SER A 13 13.789 -1.370 2.281 1.00 0.00 C ATOM 201 O SER A 13 13.911 -2.329 3.046 1.00 0.00 O ATOM 202 CB SER A 13 14.627 -1.659 -0.088 1.00 0.00 C ATOM 203 OG SER A 13 15.505 -2.702 0.300 1.00 0.00 O ATOM 0 H SER A 13 12.807 -0.024 -0.440 1.00 0.00 H new ATOM 0 HA SER A 13 12.884 -2.574 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.320 -1.806 -1.123 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.151 -0.704 -0.043 1.00 0.00 H new ATOM 0 HG SER A 13 16.285 -2.711 -0.293 1.00 0.00 H new ATOM 209 N LEU A 14 13.928 -0.115 2.732 1.00 0.00 N ATOM 210 CA LEU A 14 14.156 0.223 4.150 1.00 0.00 C ATOM 211 C LEU A 14 12.949 -0.131 5.042 1.00 0.00 C ATOM 212 O LEU A 14 13.150 -0.652 6.143 1.00 0.00 O ATOM 213 CB LEU A 14 14.549 1.707 4.298 1.00 0.00 C ATOM 214 CG LEU A 14 15.925 2.106 3.736 1.00 0.00 C ATOM 215 CD1 LEU A 14 16.084 3.628 3.782 1.00 0.00 C ATOM 216 CD2 LEU A 14 17.078 1.512 4.543 1.00 0.00 C ATOM 0 H LEU A 14 13.886 0.701 2.122 1.00 0.00 H new ATOM 0 HA LEU A 14 14.987 -0.390 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.789 2.313 3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.524 1.964 5.357 1.00 0.00 H new ATOM 0 HG LEU A 14 15.964 1.724 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.060 3.904 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.302 4.094 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.004 3.971 4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.027 1.823 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.020 1.864 5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.011 0.424 4.527 1.00 0.00 H new ATOM 228 N PHE A 15 11.705 0.035 4.571 1.00 0.00 N ATOM 229 CA PHE A 15 10.513 -0.518 5.240 1.00 0.00 C ATOM 230 C PHE A 15 10.500 -2.058 5.228 1.00 0.00 C ATOM 231 O PHE A 15 10.090 -2.676 6.211 1.00 0.00 O ATOM 232 CB PHE A 15 9.215 0.038 4.625 1.00 0.00 C ATOM 233 CG PHE A 15 8.951 1.512 4.887 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.705 1.958 6.199 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.904 2.436 3.826 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.488 3.323 6.455 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.664 3.797 4.075 1.00 0.00 C ATOM 238 CZ PHE A 15 8.469 4.241 5.393 1.00 0.00 C ATOM 0 H PHE A 15 11.494 0.554 3.719 1.00 0.00 H new ATOM 0 HA PHE A 15 10.565 -0.199 6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.245 -0.123 3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.374 -0.539 5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.683 1.248 7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.054 2.095 2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.336 3.665 7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.629 4.500 3.256 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.304 5.290 5.590 1.00 0.00 H new ATOM 248 N LYS A 16 11.027 -2.691 4.173 1.00 0.00 N ATOM 249 CA LYS A 16 11.250 -4.148 4.068 1.00 0.00 C ATOM 250 C LYS A 16 12.402 -4.686 4.942 1.00 0.00 C ATOM 251 O LYS A 16 12.630 -5.898 4.974 1.00 0.00 O ATOM 252 CB LYS A 16 11.420 -4.527 2.578 1.00 0.00 C ATOM 253 CG LYS A 16 10.384 -5.540 2.070 1.00 0.00 C ATOM 254 CD LYS A 16 8.915 -5.090 2.181 1.00 0.00 C ATOM 255 CE LYS A 16 8.553 -3.784 1.465 1.00 0.00 C ATOM 256 NZ LYS A 16 8.650 -3.919 -0.002 1.00 0.00 N ATOM 0 H LYS A 16 11.322 -2.189 3.336 1.00 0.00 H new ATOM 0 HA LYS A 16 10.367 -4.639 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.355 -3.622 1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.418 -4.938 2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.600 -5.764 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.505 -6.469 2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.282 -5.885 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.668 -4.982 3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.539 -3.489 1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.218 -2.988 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.150 -3.129 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.650 -3.905 -0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.218 -4.818 -0.297 1.00 0.00 H new ATOM 270 N GLN A 17 13.106 -3.803 5.659 1.00 0.00 N ATOM 271 CA GLN A 17 14.172 -4.112 6.627 1.00 0.00 C ATOM 272 C GLN A 17 13.774 -3.754 8.070 1.00 0.00 C ATOM 273 O GLN A 17 13.885 -4.595 8.959 1.00 0.00 O ATOM 274 CB GLN A 17 15.450 -3.365 6.218 1.00 0.00 C ATOM 275 CG GLN A 17 16.191 -4.069 5.073 1.00 0.00 C ATOM 276 CD GLN A 17 17.185 -3.120 4.425 1.00 0.00 C ATOM 277 OE1 GLN A 17 18.362 -3.060 4.765 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.719 -2.310 3.505 1.00 0.00 N ATOM 0 H GLN A 17 12.941 -2.800 5.578 1.00 0.00 H new ATOM 0 HA GLN A 17 14.346 -5.188 6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.194 -2.350 5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.112 -3.282 7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.712 -4.947 5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.475 -4.420 4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.739 -2.365 3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 17 17.336 -1.625 3.068 1.00 0.00 H new ATOM 287 N GLY A 18 13.292 -2.527 8.306 1.00 0.00 N ATOM 288 CA GLY A 18 12.932 -2.004 9.638 1.00 0.00 C ATOM 289 C GLY A 18 13.418 -0.573 9.938 1.00 0.00 C ATOM 290 O GLY A 18 13.145 -0.040 11.015 1.00 0.00 O ATOM 0 H GLY A 18 13.136 -1.850 7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.847 -2.030 9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.339 -2.674 10.395 1.00 0.00 H new ATOM 294 N LEU A 19 14.107 0.064 8.984 1.00 0.00 N ATOM 295 CA LEU A 19 14.733 1.396 9.060 1.00 0.00 C ATOM 296 C LEU A 19 13.730 2.502 8.725 1.00 0.00 C ATOM 297 O LEU A 19 13.947 3.346 7.856 1.00 0.00 O ATOM 298 CB LEU A 19 16.014 1.388 8.203 1.00 0.00 C ATOM 299 CG LEU A 19 17.117 0.462 8.754 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.251 0.319 7.740 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.709 0.994 10.059 1.00 0.00 C ATOM 0 H LEU A 19 14.254 -0.366 8.071 1.00 0.00 H new ATOM 0 HA LEU A 19 15.040 1.626 10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.762 1.076 7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.403 2.404 8.136 1.00 0.00 H new ATOM 0 HG LEU A 19 16.649 -0.504 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.021 -0.338 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.861 -0.106 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.682 1.299 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.482 0.312 10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.145 1.978 9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.923 1.072 10.810 1.00 0.00 H new ATOM 313 N TYR A 20 12.594 2.453 9.418 1.00 0.00 N ATOM 314 CA TYR A 20 11.430 3.302 9.179 1.00 0.00 C ATOM 315 C TYR A 20 11.739 4.800 9.308 1.00 0.00 C ATOM 316 O TYR A 20 11.158 5.585 8.562 1.00 0.00 O ATOM 317 CB TYR A 20 10.305 2.930 10.157 1.00 0.00 C ATOM 318 CG TYR A 20 9.749 1.508 10.140 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.062 0.576 9.125 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.849 1.137 11.158 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.451 -0.696 9.116 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.235 -0.128 11.148 1.00 0.00 C ATOM 323 CZ TYR A 20 8.525 -1.049 10.121 1.00 0.00 C ATOM 324 OH TYR A 20 7.899 -2.257 10.098 1.00 0.00 O ATOM 0 H TYR A 20 12.455 1.798 10.188 1.00 0.00 H new ATOM 0 HA TYR A 20 11.120 3.124 8.149 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.667 3.130 11.166 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.473 3.611 9.976 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.771 0.838 8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.628 1.832 11.955 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.693 -1.403 8.336 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.539 -0.395 11.930 1.00 0.00 H new ATOM 0 HH TYR A 20 7.297 -2.328 10.868 1.00 0.00 H new ATOM 334 N ARG A 21 12.653 5.222 10.199 1.00 0.00 N ATOM 335 CA ARG A 21 12.974 6.653 10.368 1.00 0.00 C ATOM 336 C ARG A 21 13.695 7.184 9.134 1.00 0.00 C ATOM 337 O ARG A 21 13.262 8.198 8.579 1.00 0.00 O ATOM 338 CB ARG A 21 13.782 6.930 11.652 1.00 0.00 C ATOM 339 CG ARG A 21 12.959 6.926 12.952 1.00 0.00 C ATOM 340 CD ARG A 21 12.391 5.551 13.324 1.00 0.00 C ATOM 341 NE ARG A 21 11.661 5.602 14.600 1.00 0.00 N ATOM 342 CZ ARG A 21 10.861 4.677 15.085 1.00 0.00 C ATOM 343 NH1 ARG A 21 10.723 3.498 14.551 1.00 0.00 N ATOM 344 NH2 ARG A 21 10.140 4.919 16.137 1.00 0.00 N ATOM 0 H ARG A 21 13.180 4.598 10.810 1.00 0.00 H new ATOM 0 HA ARG A 21 12.030 7.187 10.478 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.570 6.181 11.736 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.272 7.899 11.553 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.587 7.282 13.769 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.136 7.633 12.851 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.724 5.205 12.534 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.203 4.827 13.396 1.00 0.00 H new ATOM 0 HE ARG A 21 11.788 6.440 15.167 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.250 3.253 13.713 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.087 2.819 14.970 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.192 5.830 16.592 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.522 4.198 16.508 1.00 0.00 H new ATOM 358 N GLU A 22 14.706 6.455 8.648 1.00 0.00 N ATOM 359 CA GLU A 22 15.419 6.833 7.417 1.00 0.00 C ATOM 360 C GLU A 22 14.517 6.684 6.176 1.00 0.00 C ATOM 361 O GLU A 22 14.546 7.531 5.280 1.00 0.00 O ATOM 362 CB GLU A 22 16.713 6.005 7.255 1.00 0.00 C ATOM 363 CG GLU A 22 17.798 6.410 8.268 1.00 0.00 C ATOM 364 CD GLU A 22 19.152 5.724 8.019 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.601 4.906 8.862 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.828 6.053 7.008 1.00 0.00 O ATOM 0 H GLU A 22 15.050 5.601 9.086 1.00 0.00 H new ATOM 0 HA GLU A 22 15.693 7.884 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.482 4.947 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.098 6.132 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.934 7.491 8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.455 6.166 9.274 1.00 0.00 H new ATOM 374 N ALA A 23 13.657 5.659 6.149 1.00 0.00 N ATOM 375 CA ALA A 23 12.693 5.447 5.069 1.00 0.00 C ATOM 376 C ALA A 23 11.688 6.608 4.935 1.00 0.00 C ATOM 377 O ALA A 23 11.514 7.159 3.845 1.00 0.00 O ATOM 378 CB ALA A 23 11.964 4.122 5.315 1.00 0.00 C ATOM 0 H ALA A 23 13.612 4.951 6.881 1.00 0.00 H new ATOM 0 HA ALA A 23 13.238 5.408 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.242 3.951 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.687 3.306 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.444 4.165 6.272 1.00 0.00 H new ATOM 384 N VAL A 24 11.072 7.030 6.048 1.00 0.00 N ATOM 385 CA VAL A 24 10.172 8.198 6.092 1.00 0.00 C ATOM 386 C VAL A 24 10.926 9.479 5.722 1.00 0.00 C ATOM 387 O VAL A 24 10.384 10.297 4.983 1.00 0.00 O ATOM 388 CB VAL A 24 9.478 8.314 7.468 1.00 0.00 C ATOM 389 CG1 VAL A 24 8.689 9.618 7.636 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.460 7.186 7.668 1.00 0.00 C ATOM 0 H VAL A 24 11.183 6.569 6.951 1.00 0.00 H new ATOM 0 HA VAL A 24 9.388 8.054 5.349 1.00 0.00 H new ATOM 0 HB VAL A 24 10.291 8.270 8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.226 9.638 8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.364 10.468 7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.915 9.676 6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.987 7.292 8.644 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.700 7.239 6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.968 6.223 7.614 1.00 0.00 H new ATOM 400 N HIS A 25 12.193 9.630 6.133 1.00 0.00 N ATOM 401 CA HIS A 25 12.994 10.808 5.781 1.00 0.00 C ATOM 402 C HIS A 25 13.186 10.961 4.266 1.00 0.00 C ATOM 403 O HIS A 25 13.094 12.072 3.741 1.00 0.00 O ATOM 404 CB HIS A 25 14.353 10.774 6.499 1.00 0.00 C ATOM 405 CG HIS A 25 14.845 12.168 6.778 1.00 0.00 C ATOM 406 ND1 HIS A 25 15.446 13.042 5.900 1.00 0.00 N ATOM 407 CD2 HIS A 25 14.594 12.860 7.927 1.00 0.00 C ATOM 408 CE1 HIS A 25 15.534 14.238 6.500 1.00 0.00 C ATOM 409 NE2 HIS A 25 15.016 14.183 7.740 1.00 0.00 N ATOM 0 H HIS A 25 12.685 8.948 6.711 1.00 0.00 H new ATOM 0 HA HIS A 25 12.436 11.681 6.118 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.261 10.222 7.434 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.080 10.243 5.885 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.148 12.458 8.824 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.961 15.122 6.050 1.00 0.00 H new ATOM 0 HE2 HIS A 25 14.945 14.950 8.409 1.00 0.00 H new ATOM 418 N CYS A 26 13.392 9.848 3.553 1.00 0.00 N ATOM 419 CA CYS A 26 13.489 9.832 2.091 1.00 0.00 C ATOM 420 C CYS A 26 12.162 10.213 1.417 1.00 0.00 C ATOM 421 O CYS A 26 12.158 10.989 0.463 1.00 0.00 O ATOM 422 CB CYS A 26 13.958 8.443 1.637 1.00 0.00 C ATOM 423 SG CYS A 26 15.625 8.087 2.266 1.00 0.00 S ATOM 0 H CYS A 26 13.497 8.927 3.978 1.00 0.00 H new ATOM 0 HA CYS A 26 14.216 10.584 1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.261 7.685 1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.957 8.392 0.548 1.00 0.00 H new ATOM 0 HG CYS A 26 15.560 7.806 3.534 1.00 0.00 H new ATOM 429 N TYR A 27 11.025 9.728 1.932 1.00 0.00 N ATOM 430 CA TYR A 27 9.699 10.086 1.407 1.00 0.00 C ATOM 431 C TYR A 27 9.338 11.555 1.675 1.00 0.00 C ATOM 432 O TYR A 27 8.800 12.222 0.791 1.00 0.00 O ATOM 433 CB TYR A 27 8.634 9.111 1.928 1.00 0.00 C ATOM 434 CG TYR A 27 8.522 7.822 1.126 1.00 0.00 C ATOM 435 CD1 TYR A 27 9.580 6.891 1.054 1.00 0.00 C ATOM 436 CD2 TYR A 27 7.330 7.562 0.428 1.00 0.00 C ATOM 437 CE1 TYR A 27 9.436 5.709 0.295 1.00 0.00 C ATOM 438 CE2 TYR A 27 7.175 6.374 -0.309 1.00 0.00 C ATOM 439 CZ TYR A 27 8.224 5.444 -0.376 1.00 0.00 C ATOM 440 OH TYR A 27 8.057 4.318 -1.114 1.00 0.00 O ATOM 0 H TYR A 27 10.997 9.080 2.719 1.00 0.00 H new ATOM 0 HA TYR A 27 9.733 9.989 0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.861 8.862 2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.666 9.612 1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.503 7.083 1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.525 8.282 0.458 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.254 5.007 0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.247 6.177 -0.825 1.00 0.00 H new ATOM 0 HH TYR A 27 8.931 3.915 -1.298 1.00 0.00 H new ATOM 450 N ASP A 28 9.714 12.100 2.835 1.00 0.00 N ATOM 451 CA ASP A 28 9.590 13.534 3.124 1.00 0.00 C ATOM 452 C ASP A 28 10.457 14.410 2.199 1.00 0.00 C ATOM 453 O ASP A 28 10.078 15.553 1.933 1.00 0.00 O ATOM 454 CB ASP A 28 9.924 13.804 4.602 1.00 0.00 C ATOM 455 CG ASP A 28 8.730 13.655 5.551 1.00 0.00 C ATOM 456 OD1 ASP A 28 8.930 13.187 6.698 1.00 0.00 O ATOM 457 OD2 ASP A 28 7.624 14.160 5.240 1.00 0.00 O ATOM 0 H ASP A 28 10.114 11.560 3.602 1.00 0.00 H new ATOM 0 HA ASP A 28 8.555 13.813 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.712 13.119 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.324 14.814 4.694 1.00 0.00 H new ATOM 463 N GLN A 29 11.566 13.897 1.643 1.00 0.00 N ATOM 464 CA GLN A 29 12.366 14.646 0.661 1.00 0.00 C ATOM 465 C GLN A 29 11.743 14.680 -0.735 1.00 0.00 C ATOM 466 O GLN A 29 11.921 15.677 -1.437 1.00 0.00 O ATOM 467 CB GLN A 29 13.828 14.174 0.593 1.00 0.00 C ATOM 468 CG GLN A 29 14.662 14.371 1.871 1.00 0.00 C ATOM 469 CD GLN A 29 14.115 15.401 2.859 1.00 0.00 C ATOM 470 OE1 GLN A 29 14.184 16.612 2.665 1.00 0.00 O ATOM 471 NE2 GLN A 29 13.514 14.959 3.937 1.00 0.00 N ATOM 0 H GLN A 29 11.929 12.968 1.856 1.00 0.00 H new ATOM 0 HA GLN A 29 12.367 15.670 1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.835 13.114 0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.321 14.701 -0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.745 13.412 2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.671 14.668 1.584 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.450 13.956 4.110 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.111 15.618 4.603 1.00 0.00 H new ATOM 480 N LEU A 30 10.932 13.680 -1.112 1.00 0.00 N ATOM 481 CA LEU A 30 10.152 13.762 -2.357 1.00 0.00 C ATOM 482 C LEU A 30 9.171 14.938 -2.299 1.00 0.00 C ATOM 483 O LEU A 30 8.894 15.542 -3.331 1.00 0.00 O ATOM 484 CB LEU A 30 9.373 12.469 -2.670 1.00 0.00 C ATOM 485 CG LEU A 30 10.115 11.149 -2.428 1.00 0.00 C ATOM 486 CD1 LEU A 30 9.252 9.969 -2.880 1.00 0.00 C ATOM 487 CD2 LEU A 30 11.469 11.069 -3.133 1.00 0.00 C ATOM 0 H LEU A 30 10.800 12.818 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 30 10.876 13.912 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.464 12.464 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.065 12.501 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 30 10.305 11.105 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.789 9.037 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.319 9.963 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.032 10.065 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.936 10.108 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.325 11.168 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.113 11.873 -2.777 1.00 0.00 H new ATOM 499 N ILE A 31 8.684 15.267 -1.092 1.00 0.00 N ATOM 500 CA ILE A 31 7.852 16.448 -0.825 1.00 0.00 C ATOM 501 C ILE A 31 8.700 17.724 -0.707 1.00 0.00 C ATOM 502 O ILE A 31 8.323 18.724 -1.307 1.00 0.00 O ATOM 503 CB ILE A 31 6.930 16.231 0.399 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.114 14.928 0.220 1.00 0.00 C ATOM 505 CG2 ILE A 31 5.997 17.445 0.580 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.062 14.666 1.302 1.00 0.00 C ATOM 0 H ILE A 31 8.862 14.707 -0.258 1.00 0.00 H new ATOM 0 HA ILE A 31 7.197 16.591 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 31 7.540 16.133 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.616 14.960 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.805 14.085 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.352 17.283 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.595 18.343 0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.384 17.569 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.545 13.731 1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.550 14.596 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.342 15.484 1.315 1.00 0.00 H new ATOM 518 N THR A 32 9.863 17.714 -0.038 1.00 0.00 N ATOM 519 CA THR A 32 10.784 18.878 0.001 1.00 0.00 C ATOM 520 C THR A 32 11.122 19.393 -1.405 1.00 0.00 C ATOM 521 O THR A 32 11.110 20.602 -1.644 1.00 0.00 O ATOM 522 CB THR A 32 12.093 18.533 0.738 1.00 0.00 C ATOM 523 OG1 THR A 32 11.839 18.243 2.096 1.00 0.00 O ATOM 524 CG2 THR A 32 13.123 19.663 0.738 1.00 0.00 C ATOM 0 H THR A 32 10.197 16.908 0.490 1.00 0.00 H new ATOM 0 HA THR A 32 10.259 19.664 0.544 1.00 0.00 H new ATOM 0 HB THR A 32 12.494 17.679 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.559 17.681 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.015 19.342 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.389 19.913 -0.289 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.700 20.541 1.227 1.00 0.00 H new ATOM 532 N ALA A 33 11.376 18.486 -2.355 1.00 0.00 N ATOM 533 CA ALA A 33 11.645 18.834 -3.748 1.00 0.00 C ATOM 534 C ALA A 33 10.384 19.221 -4.552 1.00 0.00 C ATOM 535 O ALA A 33 10.500 19.946 -5.541 1.00 0.00 O ATOM 536 CB ALA A 33 12.378 17.649 -4.388 1.00 0.00 C ATOM 0 H ALA A 33 11.400 17.483 -2.173 1.00 0.00 H new ATOM 0 HA ALA A 33 12.262 19.732 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.595 17.876 -5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.311 17.467 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.750 16.760 -4.333 1.00 0.00 H new ATOM 542 N GLN A 34 9.191 18.758 -4.153 1.00 0.00 N ATOM 543 CA GLN A 34 7.940 18.849 -4.931 1.00 0.00 C ATOM 544 C GLN A 34 6.701 19.178 -4.045 1.00 0.00 C ATOM 545 O GLN A 34 5.742 18.399 -4.034 1.00 0.00 O ATOM 546 CB GLN A 34 7.745 17.522 -5.702 1.00 0.00 C ATOM 547 CG GLN A 34 8.943 17.035 -6.532 1.00 0.00 C ATOM 548 CD GLN A 34 8.692 15.632 -7.053 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.424 15.405 -8.222 1.00 0.00 O ATOM 550 NE2 GLN A 34 8.752 14.646 -6.185 1.00 0.00 N ATOM 0 H GLN A 34 9.062 18.295 -3.253 1.00 0.00 H new ATOM 0 HA GLN A 34 8.026 19.680 -5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.487 16.744 -4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.890 17.636 -6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.115 17.714 -7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.845 17.047 -5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.976 14.839 -5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.574 13.688 -6.488 1.00 0.00 H new ATOM 559 N PRO A 35 6.663 20.294 -3.278 1.00 0.00 N ATOM 560 CA PRO A 35 5.652 20.494 -2.226 1.00 0.00 C ATOM 561 C PRO A 35 4.202 20.595 -2.708 1.00 0.00 C ATOM 562 O PRO A 35 3.269 20.351 -1.933 1.00 0.00 O ATOM 563 CB PRO A 35 6.031 21.803 -1.531 1.00 0.00 C ATOM 564 CG PRO A 35 7.526 21.942 -1.789 1.00 0.00 C ATOM 565 CD PRO A 35 7.655 21.362 -3.196 1.00 0.00 C ATOM 0 HA PRO A 35 5.666 19.614 -1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.476 22.647 -1.940 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.813 21.765 -0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.854 22.980 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.120 21.388 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.471 22.125 -3.952 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.660 20.977 -3.370 1.00 0.00 H new ATOM 573 N GLN A 36 4.001 20.984 -3.971 1.00 0.00 N ATOM 574 CA GLN A 36 2.688 21.212 -4.568 1.00 0.00 C ATOM 575 C GLN A 36 2.167 19.977 -5.329 1.00 0.00 C ATOM 576 O GLN A 36 0.990 19.939 -5.690 1.00 0.00 O ATOM 577 CB GLN A 36 2.771 22.435 -5.508 1.00 0.00 C ATOM 578 CG GLN A 36 1.584 23.405 -5.362 1.00 0.00 C ATOM 579 CD GLN A 36 1.824 24.468 -4.289 1.00 0.00 C ATOM 580 OE1 GLN A 36 2.744 25.271 -4.374 1.00 0.00 O ATOM 581 NE2 GLN A 36 1.034 24.538 -3.245 1.00 0.00 N ATOM 0 H GLN A 36 4.769 21.152 -4.621 1.00 0.00 H new ATOM 0 HA GLN A 36 1.976 21.404 -3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.697 22.974 -5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.821 22.087 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.399 23.894 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.686 22.840 -5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.259 23.882 -3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.194 25.248 -2.531 1.00 0.00 H new ATOM 590 N ASN A 37 3.017 18.982 -5.618 1.00 0.00 N ATOM 591 CA ASN A 37 2.672 17.845 -6.476 1.00 0.00 C ATOM 592 C ASN A 37 2.033 16.681 -5.692 1.00 0.00 C ATOM 593 O ASN A 37 2.657 16.162 -4.761 1.00 0.00 O ATOM 594 CB ASN A 37 3.918 17.355 -7.232 1.00 0.00 C ATOM 595 CG ASN A 37 4.115 18.071 -8.548 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.780 19.097 -8.647 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.505 17.549 -9.584 1.00 0.00 N ATOM 0 H ASN A 37 3.971 18.945 -5.259 1.00 0.00 H new ATOM 0 HA ASN A 37 1.925 18.197 -7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.799 17.501 -6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.831 16.284 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.578 17.997 -10.498 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.958 16.695 -9.477 1.00 0.00 H new ATOM 604 N PRO A 38 0.861 16.160 -6.112 1.00 0.00 N ATOM 605 CA PRO A 38 0.221 15.020 -5.451 1.00 0.00 C ATOM 606 C PRO A 38 1.068 13.735 -5.457 1.00 0.00 C ATOM 607 O PRO A 38 0.900 12.903 -4.569 1.00 0.00 O ATOM 608 CB PRO A 38 -1.114 14.825 -6.167 1.00 0.00 C ATOM 609 CG PRO A 38 -0.902 15.459 -7.541 1.00 0.00 C ATOM 610 CD PRO A 38 0.052 16.607 -7.241 1.00 0.00 C ATOM 0 HA PRO A 38 0.091 15.232 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.369 13.769 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.929 15.308 -5.628 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.473 14.752 -8.251 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.839 15.814 -7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.676 16.834 -8.105 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.495 17.517 -6.995 1.00 0.00 H new ATOM 618 N VAL A 39 2.018 13.593 -6.392 1.00 0.00 N ATOM 619 CA VAL A 39 2.970 12.466 -6.481 1.00 0.00 C ATOM 620 C VAL A 39 3.808 12.265 -5.206 1.00 0.00 C ATOM 621 O VAL A 39 4.141 11.131 -4.865 1.00 0.00 O ATOM 622 CB VAL A 39 3.854 12.653 -7.734 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.083 13.542 -7.499 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.292 11.295 -8.290 1.00 0.00 C ATOM 0 H VAL A 39 2.153 14.280 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 39 2.393 11.546 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 39 3.231 13.172 -8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.654 13.626 -8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.760 14.533 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.710 13.099 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.914 11.447 -9.172 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.862 10.758 -7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.412 10.712 -8.562 1.00 0.00 H new ATOM 634 N GLY A 40 4.121 13.322 -4.442 1.00 0.00 N ATOM 635 CA GLY A 40 4.808 13.170 -3.152 1.00 0.00 C ATOM 636 C GLY A 40 3.880 12.612 -2.065 1.00 0.00 C ATOM 637 O GLY A 40 4.288 11.775 -1.261 1.00 0.00 O ATOM 0 H GLY A 40 3.910 14.288 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.663 12.505 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.198 14.137 -2.834 1.00 0.00 H new ATOM 641 N TYR A 41 2.602 12.995 -2.092 1.00 0.00 N ATOM 642 CA TYR A 41 1.588 12.579 -1.118 1.00 0.00 C ATOM 643 C TYR A 41 1.040 11.167 -1.404 1.00 0.00 C ATOM 644 O TYR A 41 0.820 10.403 -0.465 1.00 0.00 O ATOM 645 CB TYR A 41 0.488 13.653 -1.053 1.00 0.00 C ATOM 646 CG TYR A 41 1.017 15.036 -0.697 1.00 0.00 C ATOM 647 CD1 TYR A 41 1.205 15.418 0.648 1.00 0.00 C ATOM 648 CD2 TYR A 41 1.385 15.927 -1.722 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.782 16.669 0.953 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.963 17.174 -1.425 1.00 0.00 C ATOM 651 CZ TYR A 41 2.171 17.548 -0.082 1.00 0.00 C ATOM 652 OH TYR A 41 2.762 18.740 0.207 1.00 0.00 O ATOM 0 H TYR A 41 2.233 13.619 -2.810 1.00 0.00 H new ATOM 0 HA TYR A 41 2.050 12.499 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.019 13.703 -2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.257 13.356 -0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.907 14.752 1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.221 15.649 -2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.927 16.956 1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.247 17.843 -2.224 1.00 0.00 H new ATOM 0 HH TYR A 41 2.718 19.326 -0.578 1.00 0.00 H new ATOM 662 N SER A 42 0.926 10.756 -2.677 1.00 0.00 N ATOM 663 CA SER A 42 0.621 9.360 -3.052 1.00 0.00 C ATOM 664 C SER A 42 1.708 8.386 -2.592 1.00 0.00 C ATOM 665 O SER A 42 1.411 7.242 -2.232 1.00 0.00 O ATOM 666 CB SER A 42 0.393 9.222 -4.566 1.00 0.00 C ATOM 667 OG SER A 42 1.595 9.353 -5.296 1.00 0.00 O ATOM 0 H SER A 42 1.042 11.379 -3.477 1.00 0.00 H new ATOM 0 HA SER A 42 -0.302 9.097 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.056 8.252 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.316 9.981 -4.896 1.00 0.00 H new ATOM 0 HG SER A 42 2.172 10.015 -4.860 1.00 0.00 H new ATOM 673 N ASN A 43 2.956 8.861 -2.540 1.00 0.00 N ATOM 674 CA ASN A 43 4.087 8.142 -1.971 1.00 0.00 C ATOM 675 C ASN A 43 4.070 8.185 -0.433 1.00 0.00 C ATOM 676 O ASN A 43 4.174 7.133 0.189 1.00 0.00 O ATOM 677 CB ASN A 43 5.384 8.667 -2.608 1.00 0.00 C ATOM 678 CG ASN A 43 5.616 7.989 -3.943 1.00 0.00 C ATOM 679 OD1 ASN A 43 6.249 6.953 -4.020 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.092 8.518 -5.021 1.00 0.00 N ATOM 0 H ASN A 43 3.208 9.780 -2.903 1.00 0.00 H new ATOM 0 HA ASN A 43 4.018 7.081 -2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.321 9.747 -2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.227 8.479 -1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.215 8.061 -5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.561 9.387 -4.957 1.00 0.00 H new ATOM 687 N LYS A 44 3.861 9.335 0.220 1.00 0.00 N ATOM 688 CA LYS A 44 3.752 9.402 1.693 1.00 0.00 C ATOM 689 C LYS A 44 2.628 8.503 2.244 1.00 0.00 C ATOM 690 O LYS A 44 2.830 7.829 3.250 1.00 0.00 O ATOM 691 CB LYS A 44 3.635 10.874 2.122 1.00 0.00 C ATOM 692 CG LYS A 44 3.770 11.081 3.643 1.00 0.00 C ATOM 693 CD LYS A 44 4.147 12.536 3.967 1.00 0.00 C ATOM 694 CE LYS A 44 4.258 12.763 5.476 1.00 0.00 C ATOM 695 NZ LYS A 44 4.882 14.070 5.799 1.00 0.00 N ATOM 0 H LYS A 44 3.763 10.237 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 44 4.659 8.995 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.405 11.455 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.672 11.265 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.830 10.827 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.529 10.407 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.096 12.782 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.397 13.209 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.265 12.715 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.847 11.961 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.770 14.267 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.894 14.040 5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.420 14.821 5.248 1.00 0.00 H new ATOM 709 N ALA A 45 1.506 8.369 1.528 1.00 0.00 N ATOM 710 CA ALA A 45 0.469 7.373 1.828 1.00 0.00 C ATOM 711 C ALA A 45 0.971 5.913 1.732 1.00 0.00 C ATOM 712 O ALA A 45 0.618 5.086 2.572 1.00 0.00 O ATOM 713 CB ALA A 45 -0.709 7.608 0.874 1.00 0.00 C ATOM 0 H ALA A 45 1.290 8.952 0.719 1.00 0.00 H new ATOM 0 HA ALA A 45 0.162 7.504 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.493 6.879 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.102 8.614 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.370 7.498 -0.156 1.00 0.00 H new ATOM 719 N MET A 46 1.821 5.600 0.745 1.00 0.00 N ATOM 720 CA MET A 46 2.462 4.287 0.579 1.00 0.00 C ATOM 721 C MET A 46 3.419 3.976 1.735 1.00 0.00 C ATOM 722 O MET A 46 3.373 2.879 2.286 1.00 0.00 O ATOM 723 CB MET A 46 3.194 4.245 -0.777 1.00 0.00 C ATOM 724 CG MET A 46 3.648 2.867 -1.256 1.00 0.00 C ATOM 725 SD MET A 46 2.364 1.598 -1.324 1.00 0.00 S ATOM 726 CE MET A 46 3.025 0.620 -2.697 1.00 0.00 C ATOM 0 H MET A 46 2.089 6.268 0.022 1.00 0.00 H new ATOM 0 HA MET A 46 1.691 3.517 0.594 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.537 4.672 -1.535 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.069 4.891 -0.714 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.081 2.973 -2.251 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.443 2.518 -0.598 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.363 -0.223 -2.895 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.094 1.244 -3.588 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.016 0.249 -2.436 1.00 0.00 H new ATOM 736 N ALA A 47 4.226 4.953 2.161 1.00 0.00 N ATOM 737 CA ALA A 47 5.103 4.830 3.324 1.00 0.00 C ATOM 738 C ALA A 47 4.321 4.561 4.621 1.00 0.00 C ATOM 739 O ALA A 47 4.672 3.646 5.363 1.00 0.00 O ATOM 740 CB ALA A 47 5.949 6.105 3.434 1.00 0.00 C ATOM 0 H ALA A 47 4.287 5.861 1.701 1.00 0.00 H new ATOM 0 HA ALA A 47 5.753 3.966 3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.610 6.030 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.546 6.225 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.293 6.968 3.553 1.00 0.00 H new ATOM 746 N LEU A 48 3.228 5.293 4.871 1.00 0.00 N ATOM 747 CA LEU A 48 2.399 5.117 6.070 1.00 0.00 C ATOM 748 C LEU A 48 1.836 3.688 6.190 1.00 0.00 C ATOM 749 O LEU A 48 1.896 3.102 7.274 1.00 0.00 O ATOM 750 CB LEU A 48 1.286 6.186 6.077 1.00 0.00 C ATOM 751 CG LEU A 48 1.799 7.603 6.413 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.777 8.662 5.996 1.00 0.00 C ATOM 753 CD2 LEU A 48 2.068 7.770 7.909 1.00 0.00 C ATOM 0 H LEU A 48 2.893 6.026 4.246 1.00 0.00 H new ATOM 0 HA LEU A 48 3.026 5.255 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.804 6.204 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.524 5.902 6.803 1.00 0.00 H new ATOM 0 HG LEU A 48 2.730 7.734 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.159 9.653 6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.603 8.597 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.160 8.492 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.427 8.781 8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.147 7.599 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.822 7.050 8.226 1.00 0.00 H new ATOM 765 N ILE A 49 1.377 3.076 5.088 1.00 0.00 N ATOM 766 CA ILE A 49 0.913 1.675 5.108 1.00 0.00 C ATOM 767 C ILE A 49 2.069 0.669 5.225 1.00 0.00 C ATOM 768 O ILE A 49 1.923 -0.339 5.916 1.00 0.00 O ATOM 769 CB ILE A 49 -0.047 1.342 3.942 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.595 1.388 2.540 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.257 2.287 4.015 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.306 0.835 1.425 1.00 0.00 C ATOM 0 H ILE A 49 1.316 3.525 4.174 1.00 0.00 H new ATOM 0 HA ILE A 49 0.325 1.570 6.020 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.349 0.303 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.857 2.420 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.525 0.820 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.943 2.063 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.769 2.149 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.918 3.320 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.215 0.901 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.547 -0.207 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.226 1.418 1.378 1.00 0.00 H new ATOM 784 N LYS A 50 3.245 0.966 4.650 1.00 0.00 N ATOM 785 CA LYS A 50 4.470 0.148 4.772 1.00 0.00 C ATOM 786 C LYS A 50 5.084 0.179 6.190 1.00 0.00 C ATOM 787 O LYS A 50 5.851 -0.720 6.538 1.00 0.00 O ATOM 788 CB LYS A 50 5.478 0.588 3.680 1.00 0.00 C ATOM 789 CG LYS A 50 6.059 -0.551 2.820 1.00 0.00 C ATOM 790 CD LYS A 50 5.040 -1.363 1.994 1.00 0.00 C ATOM 791 CE LYS A 50 4.141 -0.525 1.071 1.00 0.00 C ATOM 792 NZ LYS A 50 3.081 -1.367 0.459 1.00 0.00 N ATOM 0 H LYS A 50 3.377 1.798 4.075 1.00 0.00 H new ATOM 0 HA LYS A 50 4.203 -0.897 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.985 1.303 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.302 1.114 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.793 -0.125 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.595 -1.238 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.582 -2.089 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.407 -1.928 2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.685 0.286 1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.744 -0.066 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.539 -0.801 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.518 -2.174 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.443 -1.716 1.202 1.00 0.00 H new ATOM 806 N LEU A 51 4.716 1.170 7.013 1.00 0.00 N ATOM 807 CA LEU A 51 5.153 1.386 8.401 1.00 0.00 C ATOM 808 C LEU A 51 4.150 0.801 9.418 1.00 0.00 C ATOM 809 O LEU A 51 4.550 0.206 10.421 1.00 0.00 O ATOM 810 CB LEU A 51 5.332 2.912 8.576 1.00 0.00 C ATOM 811 CG LEU A 51 6.278 3.403 9.686 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.355 4.929 9.616 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.867 3.044 11.110 1.00 0.00 C ATOM 0 H LEU A 51 4.062 1.890 6.708 1.00 0.00 H new ATOM 0 HA LEU A 51 6.091 0.866 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.688 3.318 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.349 3.345 8.759 1.00 0.00 H new ATOM 0 HG LEU A 51 7.226 2.899 9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.022 5.296 10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.738 5.230 8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.360 5.351 9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.603 3.438 11.811 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.890 3.477 11.327 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.814 1.960 11.211 1.00 0.00 H new ATOM 825 N GLY A 52 2.845 0.943 9.150 1.00 0.00 N ATOM 826 CA GLY A 52 1.759 0.431 9.996 1.00 0.00 C ATOM 827 C GLY A 52 0.758 1.480 10.503 1.00 0.00 C ATOM 828 O GLY A 52 0.011 1.233 11.452 1.00 0.00 O ATOM 0 H GLY A 52 2.507 1.429 8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.211 -0.325 9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.200 -0.070 10.858 1.00 0.00 H new ATOM 832 N GLU A 53 0.729 2.663 9.889 1.00 0.00 N ATOM 833 CA GLU A 53 -0.131 3.799 10.253 1.00 0.00 C ATOM 834 C GLU A 53 -1.317 3.911 9.269 1.00 0.00 C ATOM 835 O GLU A 53 -1.605 4.971 8.704 1.00 0.00 O ATOM 836 CB GLU A 53 0.715 5.083 10.395 1.00 0.00 C ATOM 837 CG GLU A 53 2.050 4.922 11.148 1.00 0.00 C ATOM 838 CD GLU A 53 1.903 4.344 12.563 1.00 0.00 C ATOM 839 OE1 GLU A 53 2.600 3.357 12.898 1.00 0.00 O ATOM 840 OE2 GLU A 53 1.123 4.901 13.375 1.00 0.00 O ATOM 0 H GLU A 53 1.328 2.869 9.090 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.582 3.637 11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.925 5.470 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.117 5.835 10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.707 4.273 10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.538 5.894 11.213 1.00 0.00 H new ATOM 848 N TYR A 54 -1.994 2.783 9.016 1.00 0.00 N ATOM 849 CA TYR A 54 -3.072 2.633 8.025 1.00 0.00 C ATOM 850 C TYR A 54 -4.206 3.650 8.243 1.00 0.00 C ATOM 851 O TYR A 54 -4.709 4.231 7.279 1.00 0.00 O ATOM 852 CB TYR A 54 -3.624 1.189 8.036 1.00 0.00 C ATOM 853 CG TYR A 54 -2.635 0.092 8.393 1.00 0.00 C ATOM 854 CD1 TYR A 54 -1.789 -0.467 7.416 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.569 -0.368 9.725 1.00 0.00 C ATOM 856 CE1 TYR A 54 -0.864 -1.468 7.777 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.636 -1.353 10.091 1.00 0.00 C ATOM 858 CZ TYR A 54 -0.779 -1.904 9.118 1.00 0.00 C ATOM 859 OH TYR A 54 0.166 -2.808 9.488 1.00 0.00 O ATOM 0 H TYR A 54 -1.799 1.915 9.515 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.641 2.837 7.045 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.453 1.145 8.742 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.034 0.972 7.050 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.849 -0.130 6.392 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.239 0.039 10.468 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.219 -1.902 7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.576 -1.687 11.116 1.00 0.00 H new ATOM 0 HH TYR A 54 0.082 -2.995 10.446 1.00 0.00 H new ATOM 869 N THR A 55 -4.549 3.943 9.504 1.00 0.00 N ATOM 870 CA THR A 55 -5.576 4.936 9.878 1.00 0.00 C ATOM 871 C THR A 55 -5.191 6.378 9.507 1.00 0.00 C ATOM 872 O THR A 55 -6.071 7.222 9.331 1.00 0.00 O ATOM 873 CB THR A 55 -5.916 4.803 11.374 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.327 3.479 11.649 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.066 5.699 11.829 1.00 0.00 C ATOM 0 H THR A 55 -4.116 3.492 10.310 1.00 0.00 H new ATOM 0 HA THR A 55 -6.468 4.716 9.291 1.00 0.00 H new ATOM 0 HB THR A 55 -5.008 5.094 11.902 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.542 3.394 12.601 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.245 5.548 12.894 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.808 6.742 11.649 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.967 5.447 11.270 1.00 0.00 H new ATOM 883 N GLN A 56 -3.904 6.675 9.299 1.00 0.00 N ATOM 884 CA GLN A 56 -3.463 7.957 8.725 1.00 0.00 C ATOM 885 C GLN A 56 -3.580 7.943 7.192 1.00 0.00 C ATOM 886 O GLN A 56 -4.020 8.912 6.576 1.00 0.00 O ATOM 887 CB GLN A 56 -2.020 8.281 9.139 1.00 0.00 C ATOM 888 CG GLN A 56 -1.685 7.962 10.601 1.00 0.00 C ATOM 889 CD GLN A 56 -2.559 8.625 11.656 1.00 0.00 C ATOM 890 OE1 GLN A 56 -3.144 9.689 11.482 1.00 0.00 O ATOM 891 NE2 GLN A 56 -2.661 8.009 12.809 1.00 0.00 N ATOM 0 H GLN A 56 -3.139 6.038 9.522 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.118 8.734 9.117 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.338 7.725 8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.835 9.340 8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.745 6.882 10.737 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.650 8.250 10.785 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.177 7.124 12.959 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.225 8.415 13.556 1.00 0.00 H new ATOM 900 N ALA A 57 -3.226 6.816 6.562 1.00 0.00 N ATOM 901 CA ALA A 57 -3.207 6.678 5.108 1.00 0.00 C ATOM 902 C ALA A 57 -4.602 6.803 4.465 1.00 0.00 C ATOM 903 O ALA A 57 -4.730 7.440 3.419 1.00 0.00 O ATOM 904 CB ALA A 57 -2.541 5.346 4.755 1.00 0.00 C ATOM 0 H ALA A 57 -2.943 5.969 7.055 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.631 7.506 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.518 5.226 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.522 5.334 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.107 4.527 5.199 1.00 0.00 H new ATOM 910 N ILE A 58 -5.654 6.270 5.100 1.00 0.00 N ATOM 911 CA ILE A 58 -7.045 6.409 4.621 1.00 0.00 C ATOM 912 C ILE A 58 -7.515 7.874 4.584 1.00 0.00 C ATOM 913 O ILE A 58 -8.241 8.259 3.665 1.00 0.00 O ATOM 914 CB ILE A 58 -8.012 5.511 5.433 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.073 5.890 6.931 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.632 4.031 5.248 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.012 5.013 7.769 1.00 0.00 C ATOM 0 H ILE A 58 -5.570 5.729 5.961 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.060 6.060 3.588 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.016 5.676 5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.069 5.829 7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.392 6.929 7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.316 3.405 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.698 3.768 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.613 3.870 5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.994 5.348 8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.027 5.092 7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.683 3.975 7.717 1.00 0.00 H new ATOM 929 N GLN A 59 -7.040 8.716 5.510 1.00 0.00 N ATOM 930 CA GLN A 59 -7.267 10.165 5.468 1.00 0.00 C ATOM 931 C GLN A 59 -6.378 10.849 4.415 1.00 0.00 C ATOM 932 O GLN A 59 -6.879 11.653 3.629 1.00 0.00 O ATOM 933 CB GLN A 59 -7.121 10.745 6.882 1.00 0.00 C ATOM 934 CG GLN A 59 -7.117 12.284 6.920 1.00 0.00 C ATOM 935 CD GLN A 59 -5.739 12.904 6.689 1.00 0.00 C ATOM 936 OE1 GLN A 59 -4.710 12.400 7.123 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.660 14.035 6.036 1.00 0.00 N ATOM 0 H GLN A 59 -6.487 8.411 6.311 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.287 10.369 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.938 10.377 7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.195 10.377 7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.805 12.658 6.162 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.497 12.615 7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.505 14.471 5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.753 14.481 5.896 1.00 0.00 H new ATOM 946 N MET A 60 -5.089 10.497 4.327 1.00 0.00 N ATOM 947 CA MET A 60 -4.163 11.046 3.323 1.00 0.00 C ATOM 948 C MET A 60 -4.680 10.871 1.885 1.00 0.00 C ATOM 949 O MET A 60 -4.562 11.782 1.069 1.00 0.00 O ATOM 950 CB MET A 60 -2.789 10.376 3.484 1.00 0.00 C ATOM 951 CG MET A 60 -1.747 10.866 2.466 1.00 0.00 C ATOM 952 SD MET A 60 -1.223 12.601 2.573 1.00 0.00 S ATOM 953 CE MET A 60 -0.537 12.667 4.251 1.00 0.00 C ATOM 0 H MET A 60 -4.655 9.819 4.953 1.00 0.00 H new ATOM 0 HA MET A 60 -4.080 12.119 3.495 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.418 10.563 4.491 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.905 9.297 3.383 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.860 10.240 2.564 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.147 10.696 1.466 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.018 13.615 4.395 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.345 12.581 4.978 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.165 11.845 4.390 1.00 0.00 H new ATOM 963 N CYS A 61 -5.301 9.733 1.566 1.00 0.00 N ATOM 964 CA CYS A 61 -5.919 9.501 0.251 1.00 0.00 C ATOM 965 C CYS A 61 -7.039 10.511 -0.076 1.00 0.00 C ATOM 966 O CYS A 61 -7.093 11.045 -1.185 1.00 0.00 O ATOM 967 CB CYS A 61 -6.424 8.053 0.175 1.00 0.00 C ATOM 968 SG CYS A 61 -5.031 6.894 0.345 1.00 0.00 S ATOM 0 H CYS A 61 -5.391 8.946 2.208 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.155 9.659 -0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.155 7.873 0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.932 7.886 -0.775 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.644 6.859 1.586 1.00 0.00 H new ATOM 974 N GLN A 62 -7.875 10.850 0.908 1.00 0.00 N ATOM 975 CA GLN A 62 -8.953 11.841 0.774 1.00 0.00 C ATOM 976 C GLN A 62 -8.428 13.287 0.789 1.00 0.00 C ATOM 977 O GLN A 62 -8.979 14.146 0.099 1.00 0.00 O ATOM 978 CB GLN A 62 -10.000 11.577 1.870 1.00 0.00 C ATOM 979 CG GLN A 62 -10.698 10.216 1.682 1.00 0.00 C ATOM 980 CD GLN A 62 -11.540 9.816 2.889 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.677 10.246 3.063 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.017 9.006 3.779 1.00 0.00 N ATOM 0 H GLN A 62 -7.823 10.437 1.839 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.426 11.728 -0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.518 11.606 2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.746 12.372 1.859 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.334 10.257 0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.946 9.449 1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.073 8.642 3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.554 8.740 4.604 1.00 0.00 H new ATOM 991 N GLN A 63 -7.301 13.538 1.461 1.00 0.00 N ATOM 992 CA GLN A 63 -6.537 14.783 1.338 1.00 0.00 C ATOM 993 C GLN A 63 -5.840 14.907 -0.031 1.00 0.00 C ATOM 994 O GLN A 63 -5.723 16.013 -0.546 1.00 0.00 O ATOM 995 CB GLN A 63 -5.571 14.881 2.533 1.00 0.00 C ATOM 996 CG GLN A 63 -4.703 16.155 2.572 1.00 0.00 C ATOM 997 CD GLN A 63 -3.234 15.863 2.274 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.892 15.606 1.027 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -2.387 15.836 3.162 1.00 0.00 N flip ATOM 0 H GLN A 63 -6.888 12.873 2.115 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.213 15.637 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.151 14.827 3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.913 14.012 2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.083 16.874 1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.787 16.620 3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.653 16.035 4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.417 15.615 2.935 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.402 13.816 -0.668 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.833 13.846 -2.025 1.00 0.00 C ATOM 1010 C GLY A 64 -5.885 13.940 -3.140 1.00 0.00 C ATOM 1011 O GLY A 64 -5.611 14.534 -4.177 1.00 0.00 O ATOM 0 H GLY A 64 -5.431 12.883 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.156 14.696 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.236 12.947 -2.178 1.00 0.00 H new ATOM 1015 N LEU A 65 -7.125 13.484 -2.913 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.267 13.780 -3.797 1.00 0.00 C ATOM 1017 C LEU A 65 -8.510 15.295 -3.981 1.00 0.00 C ATOM 1018 O LEU A 65 -9.094 15.700 -4.987 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.539 13.099 -3.261 1.00 0.00 C ATOM 1020 CG LEU A 65 -9.773 11.669 -3.769 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -11.051 11.119 -3.135 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -9.951 11.650 -5.288 1.00 0.00 C ATOM 0 H LEU A 65 -7.367 12.900 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.019 13.380 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.491 13.078 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.401 13.710 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.907 11.064 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.225 10.103 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.945 11.111 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.895 11.750 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.115 10.626 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.810 12.263 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.055 12.048 -5.764 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.027 16.144 -3.065 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.073 17.629 -3.152 1.00 0.00 C ATOM 1036 C ARG A 66 -7.115 18.251 -4.184 1.00 0.00 C ATOM 1037 O ARG A 66 -7.031 19.479 -4.264 1.00 0.00 O ATOM 1038 CB ARG A 66 -7.871 18.251 -1.757 1.00 0.00 C ATOM 1039 CG ARG A 66 -8.862 17.694 -0.725 1.00 0.00 C ATOM 1040 CD ARG A 66 -8.615 18.253 0.674 1.00 0.00 C ATOM 1041 NE ARG A 66 -9.478 17.568 1.650 1.00 0.00 N ATOM 1042 CZ ARG A 66 -9.133 17.084 2.825 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -7.994 17.331 3.402 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -9.966 16.295 3.421 1.00 0.00 N ATOM 0 H ARG A 66 -7.576 15.816 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.069 17.870 -3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.852 18.060 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.987 19.333 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.879 17.933 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.784 16.607 -0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.568 18.122 0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.816 19.324 0.687 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.457 17.455 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.309 17.930 2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.786 16.925 4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.857 16.066 2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.732 15.901 4.332 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.410 17.415 -4.952 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.396 17.764 -5.956 1.00 0.00 C ATOM 1060 C TYR A 67 -5.733 17.174 -7.349 1.00 0.00 C ATOM 1061 O TYR A 67 -4.832 16.807 -8.101 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.013 17.281 -5.461 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.447 17.929 -4.207 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -3.962 17.610 -2.933 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.342 18.800 -4.310 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.412 18.198 -1.777 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -1.764 19.358 -3.154 1.00 0.00 C ATOM 1068 CZ TYR A 67 -2.308 19.069 -1.884 1.00 0.00 C ATOM 1069 OH TYR A 67 -1.765 19.615 -0.761 1.00 0.00 O ATOM 0 H TYR A 67 -6.541 16.406 -4.885 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.381 18.847 -6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.076 16.207 -5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.296 17.430 -6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.781 16.912 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.937 19.040 -5.282 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.836 17.982 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.905 20.007 -3.239 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.011 20.191 -1.009 1.00 0.00 H new ATOM 1079 N THR A 68 -7.018 16.977 -7.685 1.00 0.00 N ATOM 1080 CA THR A 68 -7.444 16.120 -8.817 1.00 0.00 C ATOM 1081 C THR A 68 -8.392 16.749 -9.854 1.00 0.00 C ATOM 1082 O THR A 68 -8.913 16.029 -10.705 1.00 0.00 O ATOM 1083 CB THR A 68 -7.995 14.771 -8.323 1.00 0.00 C ATOM 1084 OG1 THR A 68 -9.197 14.909 -7.596 1.00 0.00 O ATOM 1085 CG2 THR A 68 -7.008 14.004 -7.449 1.00 0.00 C ATOM 0 H THR A 68 -7.796 17.405 -7.183 1.00 0.00 H new ATOM 0 HA THR A 68 -6.518 15.972 -9.372 1.00 0.00 H new ATOM 0 HB THR A 68 -8.178 14.208 -9.238 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.992 15.134 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.457 13.062 -7.133 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.100 13.801 -8.017 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.760 14.600 -6.571 1.00 0.00 H new ATOM 1093 N SER A 69 -8.607 18.070 -9.857 1.00 0.00 N ATOM 1094 CA SER A 69 -9.659 18.731 -10.666 1.00 0.00 C ATOM 1095 C SER A 69 -9.424 18.785 -12.187 1.00 0.00 C ATOM 1096 O SER A 69 -10.314 19.194 -12.940 1.00 0.00 O ATOM 1097 CB SER A 69 -9.908 20.150 -10.132 1.00 0.00 C ATOM 1098 OG SER A 69 -8.782 20.989 -10.345 1.00 0.00 O ATOM 0 H SER A 69 -8.057 18.722 -9.297 1.00 0.00 H new ATOM 0 HA SER A 69 -10.533 18.091 -10.548 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.781 20.578 -10.625 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.134 20.105 -9.067 1.00 0.00 H new ATOM 0 HG SER A 69 -8.971 21.885 -9.996 1.00 0.00 H new ATOM 1104 N THR A 70 -8.243 18.381 -12.659 1.00 0.00 N ATOM 1105 CA THR A 70 -7.780 18.499 -14.056 1.00 0.00 C ATOM 1106 C THR A 70 -7.167 17.192 -14.574 1.00 0.00 C ATOM 1107 O THR A 70 -6.701 16.356 -13.790 1.00 0.00 O ATOM 1108 CB THR A 70 -6.805 19.690 -14.191 1.00 0.00 C ATOM 1109 OG1 THR A 70 -6.193 19.721 -15.459 1.00 0.00 O ATOM 1110 CG2 THR A 70 -5.663 19.679 -13.175 1.00 0.00 C ATOM 0 H THR A 70 -7.547 17.942 -12.056 1.00 0.00 H new ATOM 0 HA THR A 70 -8.648 18.694 -14.686 1.00 0.00 H new ATOM 0 HB THR A 70 -7.439 20.560 -14.020 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.585 20.488 -15.510 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.024 20.547 -13.337 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.073 19.713 -12.166 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.076 18.769 -13.297 1.00 0.00 H new ATOM 1118 N ALA A 71 -7.149 17.016 -15.900 1.00 0.00 N ATOM 1119 CA ALA A 71 -6.496 15.920 -16.622 1.00 0.00 C ATOM 1120 C ALA A 71 -5.045 15.686 -16.167 1.00 0.00 C ATOM 1121 O ALA A 71 -4.603 14.541 -16.075 1.00 0.00 O ATOM 1122 CB ALA A 71 -6.526 16.263 -18.118 1.00 0.00 C ATOM 0 H ALA A 71 -7.614 17.669 -16.531 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.035 14.996 -16.412 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.046 15.465 -18.684 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.560 16.370 -18.446 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.993 17.199 -18.288 1.00 0.00 H new ATOM 1128 N GLU A 72 -4.336 16.750 -15.776 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.951 16.717 -15.278 1.00 0.00 C ATOM 1130 C GLU A 72 -2.739 15.781 -14.067 1.00 0.00 C ATOM 1131 O GLU A 72 -1.606 15.362 -13.802 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.551 18.163 -14.917 1.00 0.00 C ATOM 1133 CG GLU A 72 -1.039 18.428 -14.872 1.00 0.00 C ATOM 1134 CD GLU A 72 -0.438 18.534 -16.277 1.00 0.00 C ATOM 1135 OE1 GLU A 72 -0.333 17.501 -16.981 1.00 0.00 O ATOM 1136 OE2 GLU A 72 -0.086 19.664 -16.697 1.00 0.00 O ATOM 0 H GLU A 72 -4.722 17.694 -15.797 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.320 16.307 -16.066 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.002 18.840 -15.643 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.977 18.409 -13.944 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.848 19.351 -14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.545 17.625 -14.325 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.824 15.434 -13.364 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.866 14.632 -12.138 1.00 0.00 C ATOM 1146 C HIS A 73 -4.929 13.504 -12.204 1.00 0.00 C ATOM 1147 O HIS A 73 -5.328 12.963 -11.169 1.00 0.00 O ATOM 1148 CB HIS A 73 -4.106 15.575 -10.950 1.00 0.00 C ATOM 1149 CG HIS A 73 -3.181 16.770 -10.876 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.805 16.761 -10.850 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.569 18.081 -10.842 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -1.376 18.033 -10.815 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -2.420 18.880 -10.812 1.00 0.00 N ATOM 0 H HIS A 73 -4.756 15.726 -13.657 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.911 14.122 -12.014 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.134 15.934 -10.994 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.008 15.003 -10.027 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.588 18.439 -10.839 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.339 18.333 -10.792 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.382 19.899 -10.792 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.431 13.134 -13.393 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.475 12.093 -13.526 1.00 0.00 C ATOM 1164 C VAL A 74 -5.945 10.677 -13.254 1.00 0.00 C ATOM 1165 O VAL A 74 -6.652 9.861 -12.660 1.00 0.00 O ATOM 1166 CB VAL A 74 -7.222 12.199 -14.873 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -6.449 11.648 -16.076 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -8.577 11.485 -14.810 1.00 0.00 C ATOM 0 H VAL A 74 -5.133 13.539 -14.281 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.208 12.287 -12.743 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.347 13.271 -15.027 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.049 11.764 -16.978 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.514 12.196 -16.190 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.233 10.591 -15.917 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.081 11.576 -15.772 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.422 10.431 -14.579 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.192 11.940 -14.034 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.680 10.391 -13.580 1.00 0.00 N ATOM 1179 CA ALA A 75 -4.038 9.127 -13.195 1.00 0.00 C ATOM 1180 C ALA A 75 -3.743 9.083 -11.677 1.00 0.00 C ATOM 1181 O ALA A 75 -3.921 8.044 -11.028 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.789 8.916 -14.062 1.00 0.00 C ATOM 0 H ALA A 75 -4.078 11.020 -14.111 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.718 8.295 -13.380 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.306 7.980 -13.783 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.078 8.876 -15.112 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.095 9.742 -13.908 1.00 0.00 H new ATOM 1188 N ILE A 76 -3.391 10.231 -11.087 1.00 0.00 N ATOM 1189 CA ILE A 76 -3.297 10.465 -9.636 1.00 0.00 C ATOM 1190 C ILE A 76 -4.642 10.232 -8.923 1.00 0.00 C ATOM 1191 O ILE A 76 -4.646 9.663 -7.828 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.731 11.885 -9.387 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.199 11.946 -9.569 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -3.151 12.501 -8.043 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -0.352 11.298 -8.466 1.00 0.00 C ATOM 0 H ILE A 76 -3.153 11.061 -11.630 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.611 9.737 -9.202 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.189 12.503 -10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.949 11.468 -10.516 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.907 12.993 -9.653 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.714 13.495 -7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.238 12.577 -8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.800 11.869 -7.227 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.705 11.406 -8.708 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.558 11.787 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.601 10.239 -8.391 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.783 10.598 -9.531 1.00 0.00 N ATOM 1208 CA ARG A 77 -7.123 10.374 -8.943 1.00 0.00 C ATOM 1209 C ARG A 77 -7.398 8.893 -8.659 1.00 0.00 C ATOM 1210 O ARG A 77 -7.995 8.576 -7.631 1.00 0.00 O ATOM 1211 CB ARG A 77 -8.215 11.034 -9.817 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.576 11.052 -9.096 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.528 12.203 -9.462 1.00 0.00 C ATOM 1214 NE ARG A 77 -11.246 12.011 -10.731 1.00 0.00 N ATOM 1215 CZ ARG A 77 -12.388 12.593 -11.058 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -13.011 13.433 -10.284 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -12.967 12.349 -12.193 1.00 0.00 N ATOM 0 H ARG A 77 -5.807 11.057 -10.442 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.148 10.861 -7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.919 12.053 -10.064 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.307 10.492 -10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.084 10.110 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.393 11.088 -8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.256 12.326 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.956 13.129 -9.518 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.830 11.378 -11.414 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.621 13.673 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.890 13.852 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.542 11.698 -12.853 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.847 12.809 -12.426 1.00 0.00 H new ATOM 1231 N SER A 78 -6.868 7.999 -9.494 1.00 0.00 N ATOM 1232 CA SER A 78 -6.820 6.554 -9.220 1.00 0.00 C ATOM 1233 C SER A 78 -5.704 6.172 -8.234 1.00 0.00 C ATOM 1234 O SER A 78 -5.938 5.393 -7.310 1.00 0.00 O ATOM 1235 CB SER A 78 -6.673 5.782 -10.533 1.00 0.00 C ATOM 1236 OG SER A 78 -6.804 4.399 -10.290 1.00 0.00 O ATOM 0 H SER A 78 -6.454 8.256 -10.390 1.00 0.00 H new ATOM 0 HA SER A 78 -7.760 6.281 -8.740 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.431 6.109 -11.245 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.702 5.991 -10.982 1.00 0.00 H new ATOM 0 HG SER A 78 -6.711 3.908 -11.133 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.505 6.760 -8.358 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.333 6.413 -7.533 1.00 0.00 C ATOM 1244 C LYS A 79 -3.469 6.761 -6.036 1.00 0.00 C ATOM 1245 O LYS A 79 -2.753 6.171 -5.231 1.00 0.00 O ATOM 1246 CB LYS A 79 -2.059 6.969 -8.201 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.765 6.305 -7.692 1.00 0.00 C ATOM 1248 CD LYS A 79 0.373 6.324 -8.729 1.00 0.00 C ATOM 1249 CE LYS A 79 0.833 7.723 -9.147 1.00 0.00 C ATOM 1250 NZ LYS A 79 1.782 7.635 -10.279 1.00 0.00 N ATOM 0 H LYS A 79 -4.318 7.496 -9.039 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.258 5.326 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.132 6.828 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.003 8.043 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.433 6.816 -6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.978 5.273 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.227 5.782 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.046 5.783 -9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.029 8.326 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.308 8.224 -8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.086 8.591 -10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.612 7.076 -9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.316 7.175 -11.087 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.415 7.624 -5.632 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.876 7.711 -4.230 1.00 0.00 C ATOM 1266 C LEU A 80 -6.107 6.837 -3.918 1.00 0.00 C ATOM 1267 O LEU A 80 -6.167 6.261 -2.835 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.107 9.175 -3.773 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.891 9.968 -3.238 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.984 9.157 -2.308 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.028 10.532 -4.361 1.00 0.00 C ATOM 0 H LEU A 80 -4.881 8.278 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.053 7.299 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.521 9.727 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.869 9.166 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.340 10.779 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.154 9.780 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.556 8.821 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.595 8.291 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.188 11.080 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.653 9.715 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.625 11.205 -4.976 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.078 6.678 -4.820 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.293 5.909 -4.500 1.00 0.00 C ATOM 1285 C GLN A 81 -8.064 4.391 -4.432 1.00 0.00 C ATOM 1286 O GLN A 81 -8.673 3.732 -3.588 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.441 6.297 -5.440 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.002 7.660 -5.008 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.137 8.158 -5.887 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.296 8.193 -5.492 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.839 8.646 -7.066 1.00 0.00 N ATOM 0 H GLN A 81 -7.053 7.063 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.584 6.184 -3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.085 6.345 -6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.225 5.540 -5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.355 7.588 -3.979 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.197 8.395 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.876 8.620 -7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.570 9.052 -7.650 1.00 0.00 H new ATOM 1300 N TYR A 82 -7.127 3.829 -5.204 1.00 0.00 N ATOM 1301 CA TYR A 82 -6.690 2.442 -4.992 1.00 0.00 C ATOM 1302 C TYR A 82 -5.811 2.312 -3.732 1.00 0.00 C ATOM 1303 O TYR A 82 -5.898 1.308 -3.029 1.00 0.00 O ATOM 1304 CB TYR A 82 -6.035 1.870 -6.262 1.00 0.00 C ATOM 1305 CG TYR A 82 -4.571 1.508 -6.133 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.591 2.504 -6.288 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -4.194 0.183 -5.839 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -2.229 2.171 -6.173 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -2.831 -0.158 -5.744 1.00 0.00 C ATOM 1310 CZ TYR A 82 -1.845 0.831 -5.934 1.00 0.00 C ATOM 1311 OH TYR A 82 -0.531 0.479 -5.913 1.00 0.00 O ATOM 0 H TYR A 82 -6.660 4.307 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.570 1.827 -4.800 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.586 0.980 -6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.142 2.599 -7.065 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.883 3.523 -6.495 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.951 -0.572 -5.686 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.476 2.939 -6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.542 -1.175 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.452 -0.481 -5.734 1.00 0.00 H new ATOM 1321 N ARG A 83 -5.039 3.350 -3.368 1.00 0.00 N ATOM 1322 CA ARG A 83 -4.247 3.385 -2.122 1.00 0.00 C ATOM 1323 C ARG A 83 -5.142 3.338 -0.876 1.00 0.00 C ATOM 1324 O ARG A 83 -4.772 2.692 0.096 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.327 4.621 -2.128 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.299 4.661 -0.983 1.00 0.00 C ATOM 1327 CD ARG A 83 -1.040 3.834 -1.275 1.00 0.00 C ATOM 1328 NE ARG A 83 -0.133 4.561 -2.183 1.00 0.00 N ATOM 1329 CZ ARG A 83 0.317 4.189 -3.366 1.00 0.00 C ATOM 1330 NH1 ARG A 83 0.101 3.030 -3.912 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.041 5.027 -4.035 1.00 0.00 N ATOM 0 H ARG A 83 -4.945 4.195 -3.932 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.623 2.492 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.794 4.656 -3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.945 5.518 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.012 5.696 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.766 4.291 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.523 3.608 -0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.322 2.881 -1.722 1.00 0.00 H new ATOM 0 HE ARG A 83 0.189 5.471 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.453 2.330 -3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.486 2.821 -4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.249 5.946 -3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.404 4.769 -4.953 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.336 3.936 -0.912 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.354 3.812 0.145 1.00 0.00 C ATOM 1347 C LEU A 84 -7.843 2.362 0.310 1.00 0.00 C ATOM 1348 O LEU A 84 -7.939 1.846 1.424 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.509 4.771 -0.198 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.748 4.711 0.717 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.425 4.877 2.197 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.698 5.849 0.354 1.00 0.00 C ATOM 0 H LEU A 84 -6.631 4.530 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.919 4.083 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.122 5.790 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.829 4.567 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.183 3.723 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.345 4.824 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.750 4.082 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.949 5.844 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.576 5.810 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.190 6.804 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.007 5.747 -0.686 1.00 0.00 H new ATOM 1364 N GLU A 85 -8.110 1.679 -0.800 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.518 0.278 -0.840 1.00 0.00 C ATOM 1366 C GLU A 85 -7.372 -0.670 -0.416 1.00 0.00 C ATOM 1367 O GLU A 85 -7.616 -1.685 0.243 1.00 0.00 O ATOM 1368 CB GLU A 85 -9.047 0.036 -2.265 1.00 0.00 C ATOM 1369 CG GLU A 85 -9.360 -1.428 -2.537 1.00 0.00 C ATOM 1370 CD GLU A 85 -9.814 -1.685 -3.976 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -10.518 -0.843 -4.588 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -9.457 -2.759 -4.518 1.00 0.00 O ATOM 0 H GLU A 85 -8.046 2.100 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.303 0.058 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.948 0.630 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.308 0.385 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.474 -2.028 -2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.139 -1.761 -1.851 1.00 0.00 H new ATOM 1380 N LEU A 86 -6.117 -0.322 -0.714 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.930 -1.065 -0.282 1.00 0.00 C ATOM 1382 C LEU A 86 -4.427 -0.685 1.117 1.00 0.00 C ATOM 1383 O LEU A 86 -3.701 -1.473 1.707 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.816 -0.976 -1.347 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.768 -2.162 -2.329 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -3.351 -3.469 -1.648 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -5.090 -2.392 -3.061 1.00 0.00 C ATOM 0 H LEU A 86 -5.893 0.501 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.237 -2.107 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.949 -0.056 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.853 -0.902 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.011 -1.878 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.333 -4.273 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.358 -3.352 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.065 -3.713 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.989 -3.241 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.877 -2.598 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.349 -1.501 -3.634 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.855 0.425 1.721 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.571 0.722 3.128 1.00 0.00 C ATOM 1401 C ALA A 87 -5.344 -0.222 4.062 1.00 0.00 C ATOM 1402 O ALA A 87 -4.759 -0.857 4.940 1.00 0.00 O ATOM 1403 CB ALA A 87 -4.883 2.200 3.402 1.00 0.00 C ATOM 0 H ALA A 87 -5.407 1.142 1.251 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.514 0.551 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.674 2.428 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.262 2.828 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.934 2.395 3.191 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.640 -0.411 3.787 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.453 -1.462 4.416 1.00 0.00 C ATOM 1411 C GLN A 88 -7.140 -2.876 3.876 1.00 0.00 C ATOM 1412 O GLN A 88 -7.595 -3.861 4.456 1.00 0.00 O ATOM 1413 CB GLN A 88 -8.941 -1.066 4.385 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.541 -0.958 2.975 1.00 0.00 C ATOM 1415 CD GLN A 88 -10.755 -0.039 2.924 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -11.844 -0.349 3.405 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.601 1.117 2.329 1.00 0.00 N ATOM 0 H GLN A 88 -7.157 0.162 3.120 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.175 -1.537 5.467 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.511 -1.800 4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.060 -0.108 4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.780 -0.588 2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.827 -1.951 2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.696 1.370 1.932 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.386 1.765 2.263 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.298 -2.983 2.840 1.00 0.00 N ATOM 1427 CA GLY A 89 -5.602 -4.209 2.427 1.00 0.00 C ATOM 1428 C GLY A 89 -4.370 -4.539 3.287 1.00 0.00 C ATOM 1429 O GLY A 89 -4.240 -5.647 3.804 1.00 0.00 O ATOM 0 H GLY A 89 -6.074 -2.187 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.300 -5.045 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.292 -4.108 1.387 1.00 0.00 H new ATOM 1433 N ALA A 90 -3.488 -3.558 3.490 1.00 0.00 N ATOM 1434 CA ALA A 90 -2.205 -3.656 4.191 1.00 0.00 C ATOM 1435 C ALA A 90 -2.343 -3.962 5.695 1.00 0.00 C ATOM 1436 O ALA A 90 -1.446 -4.588 6.273 1.00 0.00 O ATOM 1437 CB ALA A 90 -1.477 -2.327 3.970 1.00 0.00 C ATOM 0 H ALA A 90 -3.662 -2.613 3.147 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.644 -4.499 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.512 -2.352 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.323 -2.170 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.077 -1.512 4.374 1.00 0.00 H new ATOM 1443 N VAL A 91 -3.460 -3.569 6.323 1.00 0.00 N ATOM 1444 CA VAL A 91 -3.836 -3.980 7.695 1.00 0.00 C ATOM 1445 C VAL A 91 -4.273 -5.461 7.772 1.00 0.00 C ATOM 1446 O VAL A 91 -4.227 -6.081 8.838 1.00 0.00 O ATOM 1447 CB VAL A 91 -4.909 -3.025 8.259 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -6.289 -3.236 7.628 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.044 -3.125 9.780 1.00 0.00 C ATOM 0 H VAL A 91 -4.143 -2.947 5.890 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.948 -3.905 8.322 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.553 -2.029 7.996 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.000 -2.535 8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.227 -3.067 6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.623 -4.257 7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.812 -2.432 10.123 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.324 -4.142 10.054 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.092 -2.872 10.247 1.00 0.00 H new