USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 435 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 25 ASN : amide:sc= -0.798 K(o=-0.8,f=-4.4!) USER MOD Set 1.2: A 54 SER OG : rot 160:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0903 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00246 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.15) USER MOD Single : A 13 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00364) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.44 K(o=-2.4,f=-5.9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.811 F(o=-1.6!,f=-0.81) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -3.11! C(o=-3.1!,f=-8.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -61:sc= 0.294 USER MOD Single : A 44 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.04) USER MOD Single : A 48 SER OG : rot -15:sc= 0.771 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0526 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.107 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 7:sc= 0.593 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -47.947 13.579 10.652 1.00 0.00 N ATOM 2 CA GLY A 1 -46.678 14.093 10.170 1.00 0.00 C ATOM 3 C GLY A 1 -45.528 13.143 10.441 1.00 0.00 C ATOM 4 O GLY A 1 -45.723 12.065 11.002 1.00 0.00 O ATOM 0 H1 GLY A 1 -48.568 13.373 9.843 1.00 0.00 H new ATOM 0 H2 GLY A 1 -47.785 12.707 11.195 1.00 0.00 H new ATOM 0 H3 GLY A 1 -48.399 14.288 11.264 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -46.748 14.278 9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -46.473 15.052 10.646 1.00 0.00 H new ATOM 8 N SER A 2 -44.325 13.543 10.041 1.00 0.00 N ATOM 9 CA SER A 2 -43.140 12.717 10.238 1.00 0.00 C ATOM 10 C SER A 2 -41.871 13.504 9.925 1.00 0.00 C ATOM 11 O SER A 2 -41.932 14.637 9.447 1.00 0.00 O ATOM 12 CB SER A 2 -43.210 11.468 9.357 1.00 0.00 C ATOM 13 OG SER A 2 -42.296 10.480 9.800 1.00 0.00 O ATOM 0 H SER A 2 -44.146 14.434 9.578 1.00 0.00 H new ATOM 0 HA SER A 2 -43.109 12.413 11.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 -44.222 11.064 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 -42.989 11.735 8.324 1.00 0.00 H new ATOM 0 HG SER A 2 -42.361 9.691 9.222 1.00 0.00 H new ATOM 19 N SER A 3 -40.722 12.895 10.199 1.00 0.00 N ATOM 20 CA SER A 3 -39.437 13.539 9.950 1.00 0.00 C ATOM 21 C SER A 3 -38.390 12.515 9.525 1.00 0.00 C ATOM 22 O SER A 3 -38.636 11.310 9.551 1.00 0.00 O ATOM 23 CB SER A 3 -38.964 14.280 11.202 1.00 0.00 C ATOM 24 OG SER A 3 -39.905 15.260 11.602 1.00 0.00 O ATOM 0 H SER A 3 -40.654 11.957 10.593 1.00 0.00 H new ATOM 0 HA SER A 3 -39.568 14.256 9.140 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.809 13.568 12.013 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.002 14.754 11.006 1.00 0.00 H new ATOM 0 HG SER A 3 -39.579 15.718 12.405 1.00 0.00 H new ATOM 30 N GLY A 4 -37.218 13.005 9.131 1.00 0.00 N ATOM 31 CA GLY A 4 -36.149 12.120 8.705 1.00 0.00 C ATOM 32 C GLY A 4 -34.794 12.798 8.721 1.00 0.00 C ATOM 33 O GLY A 4 -34.699 14.006 8.938 1.00 0.00 O ATOM 0 H GLY A 4 -36.990 13.999 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -36.123 11.247 9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.360 11.759 7.698 1.00 0.00 H new ATOM 37 N SER A 5 -33.741 12.019 8.493 1.00 0.00 N ATOM 38 CA SER A 5 -32.383 12.551 8.488 1.00 0.00 C ATOM 39 C SER A 5 -31.871 12.718 7.061 1.00 0.00 C ATOM 40 O SER A 5 -31.570 13.829 6.624 1.00 0.00 O ATOM 41 CB SER A 5 -31.449 11.628 9.272 1.00 0.00 C ATOM 42 OG SER A 5 -31.852 11.526 10.627 1.00 0.00 O ATOM 0 H SER A 5 -33.802 11.018 8.309 1.00 0.00 H new ATOM 0 HA SER A 5 -32.400 13.530 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.443 10.638 8.816 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.429 12.009 9.220 1.00 0.00 H new ATOM 0 HG SER A 5 -31.240 10.929 11.106 1.00 0.00 H new ATOM 48 N SER A 6 -31.775 11.607 6.339 1.00 0.00 N ATOM 49 CA SER A 6 -31.296 11.628 4.962 1.00 0.00 C ATOM 50 C SER A 6 -29.929 12.301 4.873 1.00 0.00 C ATOM 51 O SER A 6 -29.672 13.091 3.965 1.00 0.00 O ATOM 52 CB SER A 6 -32.296 12.358 4.063 1.00 0.00 C ATOM 53 OG SER A 6 -32.152 11.959 2.711 1.00 0.00 O ATOM 0 H SER A 6 -32.023 10.680 6.685 1.00 0.00 H new ATOM 0 HA SER A 6 -31.197 10.597 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.312 12.151 4.400 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.146 13.434 4.146 1.00 0.00 H new ATOM 0 HG SER A 6 -32.803 12.438 2.157 1.00 0.00 H new ATOM 59 N GLY A 7 -29.056 11.981 5.823 1.00 0.00 N ATOM 60 CA GLY A 7 -27.726 12.562 5.835 1.00 0.00 C ATOM 61 C GLY A 7 -26.635 11.514 5.739 1.00 0.00 C ATOM 62 O GLY A 7 -26.840 10.360 6.113 1.00 0.00 O ATOM 0 H GLY A 7 -29.246 11.330 6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.630 13.259 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.593 13.138 6.751 1.00 0.00 H new ATOM 66 N GLN A 8 -25.473 11.917 5.234 1.00 0.00 N ATOM 67 CA GLN A 8 -24.346 11.003 5.088 1.00 0.00 C ATOM 68 C GLN A 8 -23.104 11.556 5.780 1.00 0.00 C ATOM 69 O GLN A 8 -22.249 12.189 5.160 1.00 0.00 O ATOM 70 CB GLN A 8 -24.052 10.755 3.608 1.00 0.00 C ATOM 71 CG GLN A 8 -25.113 9.920 2.909 1.00 0.00 C ATOM 72 CD GLN A 8 -24.763 9.621 1.465 1.00 0.00 C ATOM 73 OE1 GLN A 8 -23.774 8.944 1.181 1.00 0.00 O ATOM 74 NE2 GLN A 8 -25.573 10.126 0.542 1.00 0.00 N ATOM 0 H GLN A 8 -25.288 12.869 4.919 1.00 0.00 H new ATOM 0 HA GLN A 8 -24.613 10.058 5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -23.962 11.714 3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -23.088 10.254 3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -25.245 8.982 3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -26.067 10.446 2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -26.381 10.681 0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -25.387 9.958 -0.447 1.00 0.00 H new ATOM 83 N PRO A 9 -23.000 11.311 7.094 1.00 0.00 N ATOM 84 CA PRO A 9 -21.866 11.776 7.899 1.00 0.00 C ATOM 85 C PRO A 9 -20.575 11.038 7.560 1.00 0.00 C ATOM 86 O PRO A 9 -20.441 9.843 7.826 1.00 0.00 O ATOM 87 CB PRO A 9 -22.298 11.466 9.334 1.00 0.00 C ATOM 88 CG PRO A 9 -23.269 10.344 9.203 1.00 0.00 C ATOM 89 CD PRO A 9 -23.982 10.563 7.897 1.00 0.00 C ATOM 0 HA PRO A 9 -21.646 12.829 7.724 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -21.446 11.182 9.951 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -22.758 12.335 9.805 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -22.757 9.382 9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -23.973 10.338 10.035 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -24.253 9.619 7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -24.904 11.128 8.032 1.00 0.00 H new ATOM 97 N THR A 10 -19.624 11.758 6.971 1.00 0.00 N ATOM 98 CA THR A 10 -18.344 11.172 6.595 1.00 0.00 C ATOM 99 C THR A 10 -17.185 12.068 7.015 1.00 0.00 C ATOM 100 O THR A 10 -17.210 13.278 6.789 1.00 0.00 O ATOM 101 CB THR A 10 -18.263 10.924 5.077 1.00 0.00 C ATOM 102 OG1 THR A 10 -19.294 10.015 4.674 1.00 0.00 O ATOM 103 CG2 THR A 10 -16.904 10.361 4.692 1.00 0.00 C ATOM 0 H THR A 10 -19.717 12.748 6.744 1.00 0.00 H new ATOM 0 HA THR A 10 -18.269 10.217 7.115 1.00 0.00 H new ATOM 0 HB THR A 10 -18.400 11.878 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 10 -19.237 9.864 3.707 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.871 10.194 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.124 11.068 4.974 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.741 9.416 5.211 1.00 0.00 H new ATOM 111 N ALA A 11 -16.169 11.467 7.626 1.00 0.00 N ATOM 112 CA ALA A 11 -14.999 12.212 8.074 1.00 0.00 C ATOM 113 C ALA A 11 -13.920 11.272 8.603 1.00 0.00 C ATOM 114 O ALA A 11 -14.088 10.647 9.649 1.00 0.00 O ATOM 115 CB ALA A 11 -15.393 13.221 9.142 1.00 0.00 C ATOM 0 H ALA A 11 -16.133 10.467 7.822 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.590 12.748 7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.509 13.770 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.123 13.919 8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.829 12.698 9.993 1.00 0.00 H new ATOM 121 N GLN A 12 -12.814 11.179 7.872 1.00 0.00 N ATOM 122 CA GLN A 12 -11.708 10.314 8.268 1.00 0.00 C ATOM 123 C GLN A 12 -10.369 10.933 7.884 1.00 0.00 C ATOM 124 O GLN A 12 -10.286 11.722 6.944 1.00 0.00 O ATOM 125 CB GLN A 12 -11.853 8.937 7.619 1.00 0.00 C ATOM 126 CG GLN A 12 -12.901 8.058 8.282 1.00 0.00 C ATOM 127 CD GLN A 12 -12.514 7.650 9.690 1.00 0.00 C ATOM 128 OE1 GLN A 12 -13.265 7.870 10.641 1.00 0.00 O ATOM 129 NE2 GLN A 12 -11.337 7.052 9.831 1.00 0.00 N ATOM 0 H GLN A 12 -12.660 11.691 7.003 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.737 10.201 9.352 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.111 9.066 6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.890 8.427 7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.851 8.591 8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.055 7.164 7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.747 6.890 9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.023 6.755 10.755 1.00 0.00 H new ATOM 138 N GLN A 13 -9.322 10.568 8.618 1.00 0.00 N ATOM 139 CA GLN A 13 -7.986 11.089 8.354 1.00 0.00 C ATOM 140 C GLN A 13 -7.022 9.961 7.999 1.00 0.00 C ATOM 141 O GLN A 13 -6.949 8.952 8.700 1.00 0.00 O ATOM 142 CB GLN A 13 -7.465 11.857 9.570 1.00 0.00 C ATOM 143 CG GLN A 13 -7.104 10.963 10.745 1.00 0.00 C ATOM 144 CD GLN A 13 -7.217 11.678 12.078 1.00 0.00 C ATOM 145 OE1 GLN A 13 -8.106 12.505 12.278 1.00 0.00 O ATOM 146 NE2 GLN A 13 -6.314 11.360 12.998 1.00 0.00 N ATOM 0 H GLN A 13 -9.373 9.914 9.399 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.050 11.769 7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.586 12.431 9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.222 12.574 9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.758 10.091 10.748 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.085 10.597 10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.594 10.668 12.788 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.340 11.807 13.914 1.00 0.00 H new ATOM 155 N GLN A 14 -6.286 10.140 6.907 1.00 0.00 N ATOM 156 CA GLN A 14 -5.328 9.137 6.460 1.00 0.00 C ATOM 157 C GLN A 14 -4.349 9.730 5.452 1.00 0.00 C ATOM 158 O GLN A 14 -4.546 10.841 4.958 1.00 0.00 O ATOM 159 CB GLN A 14 -6.058 7.945 5.839 1.00 0.00 C ATOM 160 CG GLN A 14 -6.743 8.270 4.522 1.00 0.00 C ATOM 161 CD GLN A 14 -7.326 7.044 3.848 1.00 0.00 C ATOM 162 OE1 GLN A 14 -7.511 6.003 4.479 1.00 0.00 O ATOM 163 NE2 GLN A 14 -7.619 7.159 2.558 1.00 0.00 N ATOM 0 H GLN A 14 -6.335 10.970 6.316 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.765 8.797 7.329 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.345 7.137 5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.803 7.578 6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.538 8.994 4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.026 8.742 3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.450 8.040 2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.013 6.366 2.052 1.00 0.00 H new ATOM 172 N LEU A 15 -3.292 8.983 5.151 1.00 0.00 N ATOM 173 CA LEU A 15 -2.281 9.434 4.201 1.00 0.00 C ATOM 174 C LEU A 15 -2.870 9.564 2.800 1.00 0.00 C ATOM 175 O LEU A 15 -3.425 8.609 2.256 1.00 0.00 O ATOM 176 CB LEU A 15 -1.100 8.463 4.182 1.00 0.00 C ATOM 177 CG LEU A 15 -0.437 8.186 5.532 1.00 0.00 C ATOM 178 CD1 LEU A 15 0.227 6.818 5.530 1.00 0.00 C ATOM 179 CD2 LEU A 15 0.576 9.272 5.862 1.00 0.00 C ATOM 0 H LEU A 15 -3.113 8.062 5.551 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.930 10.415 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.441 7.515 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.344 8.855 3.502 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.209 8.191 6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.693 6.639 6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.523 6.050 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.987 6.784 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.038 9.058 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.345 9.299 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.072 10.238 5.907 1.00 0.00 H new ATOM 191 N THR A 16 -2.743 10.753 2.218 1.00 0.00 N ATOM 192 CA THR A 16 -3.261 11.008 0.880 1.00 0.00 C ATOM 193 C THR A 16 -2.862 9.898 -0.085 1.00 0.00 C ATOM 194 O THR A 16 -3.703 9.343 -0.792 1.00 0.00 O ATOM 195 CB THR A 16 -2.758 12.356 0.330 1.00 0.00 C ATOM 196 OG1 THR A 16 -3.151 13.420 1.205 1.00 0.00 O ATOM 197 CG2 THR A 16 -3.308 12.611 -1.065 1.00 0.00 C ATOM 0 H THR A 16 -2.286 11.554 2.653 1.00 0.00 H new ATOM 0 HA THR A 16 -4.347 11.040 0.963 1.00 0.00 H new ATOM 0 HB THR A 16 -1.670 12.316 0.273 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.826 14.273 0.849 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.939 13.569 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.983 11.816 -1.735 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.397 12.632 -1.028 1.00 0.00 H new ATOM 205 N LYS A 17 -1.573 9.577 -0.110 1.00 0.00 N ATOM 206 CA LYS A 17 -1.061 8.531 -0.987 1.00 0.00 C ATOM 207 C LYS A 17 0.139 7.832 -0.357 1.00 0.00 C ATOM 208 O LYS A 17 0.920 8.431 0.383 1.00 0.00 O ATOM 209 CB LYS A 17 -0.666 9.121 -2.343 1.00 0.00 C ATOM 210 CG LYS A 17 0.568 10.005 -2.285 1.00 0.00 C ATOM 211 CD LYS A 17 0.204 11.452 -1.994 1.00 0.00 C ATOM 212 CE LYS A 17 1.384 12.217 -1.415 1.00 0.00 C ATOM 213 NZ LYS A 17 0.943 13.392 -0.613 1.00 0.00 N ATOM 0 H LYS A 17 -0.863 10.027 0.468 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.852 7.796 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.487 8.307 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.501 9.702 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.245 9.637 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.103 9.947 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.130 11.936 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.631 11.485 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.976 11.551 -0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.032 12.552 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.776 13.897 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.385 14.032 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.359 13.069 0.185 1.00 0.00 H new ATOM 227 N PRO A 18 0.293 6.533 -0.656 1.00 0.00 N ATOM 228 CA PRO A 18 1.397 5.725 -0.130 1.00 0.00 C ATOM 229 C PRO A 18 2.742 6.123 -0.728 1.00 0.00 C ATOM 230 O PRO A 18 2.804 6.691 -1.818 1.00 0.00 O ATOM 231 CB PRO A 18 1.025 4.301 -0.551 1.00 0.00 C ATOM 232 CG PRO A 18 0.158 4.474 -1.749 1.00 0.00 C ATOM 233 CD PRO A 18 -0.599 5.754 -1.531 1.00 0.00 C ATOM 0 HA PRO A 18 1.517 5.849 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.912 3.713 -0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.498 3.777 0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.756 4.524 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.524 3.631 -1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.792 6.271 -2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.566 5.574 -1.061 1.00 0.00 H new ATOM 241 N ALA A 19 3.817 5.820 -0.008 1.00 0.00 N ATOM 242 CA ALA A 19 5.162 6.144 -0.468 1.00 0.00 C ATOM 243 C ALA A 19 5.790 4.963 -1.200 1.00 0.00 C ATOM 244 O ALA A 19 6.348 5.118 -2.287 1.00 0.00 O ATOM 245 CB ALA A 19 6.034 6.566 0.704 1.00 0.00 C ATOM 0 H ALA A 19 3.783 5.350 0.897 1.00 0.00 H new ATOM 0 HA ALA A 19 5.089 6.976 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.035 6.805 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.601 7.445 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.092 5.752 1.426 1.00 0.00 H new ATOM 251 N LYS A 20 5.698 3.783 -0.597 1.00 0.00 N ATOM 252 CA LYS A 20 6.258 2.574 -1.191 1.00 0.00 C ATOM 253 C LYS A 20 5.151 1.625 -1.638 1.00 0.00 C ATOM 254 O LYS A 20 3.966 1.911 -1.461 1.00 0.00 O ATOM 255 CB LYS A 20 7.177 1.868 -0.192 1.00 0.00 C ATOM 256 CG LYS A 20 6.431 1.172 0.934 1.00 0.00 C ATOM 257 CD LYS A 20 7.366 0.789 2.068 1.00 0.00 C ATOM 258 CE LYS A 20 7.566 1.942 3.040 1.00 0.00 C ATOM 259 NZ LYS A 20 6.441 2.052 4.010 1.00 0.00 N ATOM 0 H LYS A 20 5.241 3.638 0.303 1.00 0.00 H new ATOM 0 HA LYS A 20 6.839 2.865 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.782 1.134 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.864 2.598 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.648 1.828 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.940 0.279 0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.960 -0.071 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.330 0.485 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.501 1.801 3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.658 2.875 2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.615 2.849 4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.552 2.212 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.369 1.172 4.559 1.00 0.00 H new ATOM 273 N ILE A 21 5.544 0.495 -2.216 1.00 0.00 N ATOM 274 CA ILE A 21 4.584 -0.497 -2.685 1.00 0.00 C ATOM 275 C ILE A 21 4.743 -1.814 -1.934 1.00 0.00 C ATOM 276 O ILE A 21 5.859 -2.234 -1.623 1.00 0.00 O ATOM 277 CB ILE A 21 4.737 -0.758 -4.195 1.00 0.00 C ATOM 278 CG1 ILE A 21 4.581 0.547 -4.979 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.717 -1.787 -4.660 1.00 0.00 C ATOM 280 CD1 ILE A 21 5.062 0.453 -6.410 1.00 0.00 C ATOM 0 H ILE A 21 6.520 0.243 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 21 3.591 -0.090 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 21 5.735 -1.154 -4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.531 0.840 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.134 1.336 -4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.837 -1.961 -5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.871 -2.722 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.711 -1.416 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.921 1.414 -6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.120 0.190 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.492 -0.313 -6.936 1.00 0.00 H new ATOM 292 N THR A 22 3.620 -2.465 -1.646 1.00 0.00 N ATOM 293 CA THR A 22 3.635 -3.736 -0.932 1.00 0.00 C ATOM 294 C THR A 22 2.585 -4.691 -1.488 1.00 0.00 C ATOM 295 O THR A 22 1.661 -4.274 -2.188 1.00 0.00 O ATOM 296 CB THR A 22 3.384 -3.536 0.575 1.00 0.00 C ATOM 297 OG1 THR A 22 2.349 -2.567 0.775 1.00 0.00 O ATOM 298 CG2 THR A 22 4.654 -3.083 1.279 1.00 0.00 C ATOM 0 H THR A 22 2.689 -2.133 -1.896 1.00 0.00 H new ATOM 0 HA THR A 22 4.626 -4.167 -1.074 1.00 0.00 H new ATOM 0 HB THR A 22 3.073 -4.491 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.194 -2.447 1.735 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.453 -2.948 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.430 -3.837 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.990 -2.139 0.851 1.00 0.00 H new ATOM 306 N CYS A 23 2.732 -5.973 -1.173 1.00 0.00 N ATOM 307 CA CYS A 23 1.796 -6.988 -1.641 1.00 0.00 C ATOM 308 C CYS A 23 0.443 -6.841 -0.949 1.00 0.00 C ATOM 309 O CYS A 23 0.374 -6.621 0.260 1.00 0.00 O ATOM 310 CB CYS A 23 2.360 -8.387 -1.388 1.00 0.00 C ATOM 311 SG CYS A 23 1.267 -9.740 -1.931 1.00 0.00 S ATOM 0 H CYS A 23 3.491 -6.334 -0.595 1.00 0.00 H new ATOM 0 HA CYS A 23 1.654 -6.849 -2.713 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.317 -8.479 -1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.558 -8.500 -0.322 1.00 0.00 H new ATOM 316 N ALA A 24 -0.628 -6.965 -1.725 1.00 0.00 N ATOM 317 CA ALA A 24 -1.978 -6.849 -1.188 1.00 0.00 C ATOM 318 C ALA A 24 -2.434 -8.161 -0.559 1.00 0.00 C ATOM 319 O ALA A 24 -3.627 -8.381 -0.354 1.00 0.00 O ATOM 320 CB ALA A 24 -2.946 -6.421 -2.280 1.00 0.00 C ATOM 0 H ALA A 24 -0.587 -7.146 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.967 -6.087 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.950 -6.339 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.639 -5.455 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.944 -7.162 -3.079 1.00 0.00 H new ATOM 326 N ASN A 25 -1.476 -9.031 -0.256 1.00 0.00 N ATOM 327 CA ASN A 25 -1.780 -10.323 0.349 1.00 0.00 C ATOM 328 C ASN A 25 -0.945 -10.545 1.606 1.00 0.00 C ATOM 329 O ASN A 25 -1.483 -10.720 2.700 1.00 0.00 O ATOM 330 CB ASN A 25 -1.523 -11.451 -0.653 1.00 0.00 C ATOM 331 CG ASN A 25 -2.280 -12.718 -0.303 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.429 -12.899 -0.704 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.635 -13.602 0.450 1.00 0.00 N ATOM 0 H ASN A 25 -0.483 -8.865 -0.419 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.833 -10.327 0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.814 -11.121 -1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.455 -11.667 -0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.092 -14.473 0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.682 -13.409 0.760 1.00 0.00 H new ATOM 340 N CYS A 26 0.374 -10.537 1.443 1.00 0.00 N ATOM 341 CA CYS A 26 1.285 -10.737 2.564 1.00 0.00 C ATOM 342 C CYS A 26 1.746 -9.400 3.135 1.00 0.00 C ATOM 343 O CYS A 26 2.261 -9.333 4.252 1.00 0.00 O ATOM 344 CB CYS A 26 2.496 -11.561 2.123 1.00 0.00 C ATOM 345 SG CYS A 26 3.380 -10.873 0.687 1.00 0.00 S ATOM 0 H CYS A 26 0.836 -10.394 0.545 1.00 0.00 H new ATOM 0 HA CYS A 26 0.749 -11.279 3.343 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.191 -11.642 2.959 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.166 -12.572 1.883 1.00 0.00 H new ATOM 350 N LYS A 27 1.559 -8.336 2.362 1.00 0.00 N ATOM 351 CA LYS A 27 1.954 -6.999 2.789 1.00 0.00 C ATOM 352 C LYS A 27 3.465 -6.911 2.974 1.00 0.00 C ATOM 353 O LYS A 27 3.949 -6.408 3.988 1.00 0.00 O ATOM 354 CB LYS A 27 1.247 -6.630 4.096 1.00 0.00 C ATOM 355 CG LYS A 27 -0.268 -6.626 3.989 1.00 0.00 C ATOM 356 CD LYS A 27 -0.774 -5.377 3.287 1.00 0.00 C ATOM 357 CE LYS A 27 -2.200 -5.046 3.698 1.00 0.00 C ATOM 358 NZ LYS A 27 -2.245 -4.269 4.968 1.00 0.00 N ATOM 0 H LYS A 27 1.136 -8.374 1.435 1.00 0.00 H new ATOM 0 HA LYS A 27 1.660 -6.294 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.546 -7.334 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.583 -5.643 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.597 -7.510 3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.704 -6.686 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.122 -4.536 3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.730 -5.522 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.683 -4.475 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.767 -5.969 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.234 -4.063 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.807 -4.824 5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.725 -3.376 4.847 1.00 0.00 H new ATOM 372 N LYS A 28 4.206 -7.402 1.986 1.00 0.00 N ATOM 373 CA LYS A 28 5.663 -7.376 2.037 1.00 0.00 C ATOM 374 C LYS A 28 6.218 -6.243 1.180 1.00 0.00 C ATOM 375 O LYS A 28 5.692 -5.925 0.113 1.00 0.00 O ATOM 376 CB LYS A 28 6.234 -8.715 1.564 1.00 0.00 C ATOM 377 CG LYS A 28 6.343 -9.754 2.667 1.00 0.00 C ATOM 378 CD LYS A 28 6.528 -11.151 2.100 1.00 0.00 C ATOM 379 CE LYS A 28 6.157 -12.219 3.117 1.00 0.00 C ATOM 380 NZ LYS A 28 7.188 -12.352 4.183 1.00 0.00 N ATOM 0 H LYS A 28 3.821 -7.823 1.140 1.00 0.00 H new ATOM 0 HA LYS A 28 5.962 -7.205 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.603 -9.108 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.222 -8.548 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.184 -9.510 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.445 -9.727 3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.913 -11.267 1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.565 -11.285 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.197 -11.972 3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.033 -13.176 2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.898 -13.090 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.099 -12.613 3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.288 -11.446 4.684 1.00 0.00 H new ATOM 394 N PRO A 29 7.307 -5.620 1.654 1.00 0.00 N ATOM 395 CA PRO A 29 7.958 -4.515 0.944 1.00 0.00 C ATOM 396 C PRO A 29 8.656 -4.975 -0.331 1.00 0.00 C ATOM 397 O PRO A 29 9.805 -5.419 -0.297 1.00 0.00 O ATOM 398 CB PRO A 29 8.982 -3.997 1.958 1.00 0.00 C ATOM 399 CG PRO A 29 9.269 -5.165 2.836 1.00 0.00 C ATOM 400 CD PRO A 29 7.988 -5.947 2.918 1.00 0.00 C ATOM 0 HA PRO A 29 7.241 -3.761 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.886 -3.643 1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.583 -3.160 2.531 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.073 -5.775 2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.591 -4.840 3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.175 -7.017 3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.393 -5.654 3.783 1.00 0.00 H new ATOM 408 N LEU A 30 7.957 -4.866 -1.455 1.00 0.00 N ATOM 409 CA LEU A 30 8.510 -5.271 -2.743 1.00 0.00 C ATOM 410 C LEU A 30 9.651 -4.348 -3.159 1.00 0.00 C ATOM 411 O LEU A 30 9.436 -3.172 -3.450 1.00 0.00 O ATOM 412 CB LEU A 30 7.418 -5.265 -3.814 1.00 0.00 C ATOM 413 CG LEU A 30 6.110 -5.965 -3.442 1.00 0.00 C ATOM 414 CD1 LEU A 30 5.033 -5.666 -4.473 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.326 -7.466 -3.314 1.00 0.00 C ATOM 0 H LEU A 30 7.006 -4.500 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 30 8.903 -6.282 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.193 -4.230 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.816 -5.736 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 30 5.777 -5.582 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.110 -6.172 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.859 -4.591 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.358 -6.020 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.385 -7.948 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.683 -7.865 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.065 -7.662 -2.538 1.00 0.00 H new ATOM 427 N GLN A 31 10.864 -4.891 -3.188 1.00 0.00 N ATOM 428 CA GLN A 31 12.038 -4.117 -3.570 1.00 0.00 C ATOM 429 C GLN A 31 11.835 -3.455 -4.929 1.00 0.00 C ATOM 430 O GLN A 31 11.232 -4.037 -5.831 1.00 0.00 O ATOM 431 CB GLN A 31 13.277 -5.013 -3.607 1.00 0.00 C ATOM 432 CG GLN A 31 14.569 -4.280 -3.283 1.00 0.00 C ATOM 433 CD GLN A 31 15.220 -3.676 -4.512 1.00 0.00 C ATOM 434 OE1 GLN A 31 15.406 -2.462 -4.597 1.00 0.00 O ATOM 435 NE2 GLN A 31 15.573 -4.523 -5.472 1.00 0.00 N ATOM 0 H GLN A 31 11.059 -5.864 -2.951 1.00 0.00 H new ATOM 0 HA GLN A 31 12.185 -3.336 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.145 -5.830 -2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.362 -5.461 -4.597 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.363 -3.491 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.266 -4.972 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.400 -5.522 -5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.017 -4.175 -6.322 1.00 0.00 H new ATOM 444 N LYS A 32 12.341 -2.235 -5.069 1.00 0.00 N ATOM 445 CA LYS A 32 12.216 -1.493 -6.318 1.00 0.00 C ATOM 446 C LYS A 32 12.842 -2.266 -7.475 1.00 0.00 C ATOM 447 O LYS A 32 14.051 -2.488 -7.504 1.00 0.00 O ATOM 448 CB LYS A 32 12.882 -0.121 -6.189 1.00 0.00 C ATOM 449 CG LYS A 32 14.279 -0.176 -5.597 1.00 0.00 C ATOM 450 CD LYS A 32 14.962 1.181 -5.652 1.00 0.00 C ATOM 451 CE LYS A 32 14.659 2.008 -4.412 1.00 0.00 C ATOM 452 NZ LYS A 32 15.365 3.319 -4.434 1.00 0.00 N ATOM 0 H LYS A 32 12.842 -1.738 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 32 11.155 -1.357 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.932 0.343 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.258 0.519 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.224 -0.515 -4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.877 -0.908 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.039 1.044 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.632 1.720 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.584 2.175 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.955 1.451 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.133 3.853 -3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.392 3.160 -4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.064 3.861 -5.269 1.00 0.00 H new ATOM 466 N GLY A 33 12.009 -2.672 -8.429 1.00 0.00 N ATOM 467 CA GLY A 33 12.499 -3.414 -9.575 1.00 0.00 C ATOM 468 C GLY A 33 11.767 -4.727 -9.772 1.00 0.00 C ATOM 469 O GLY A 33 11.307 -5.029 -10.873 1.00 0.00 O ATOM 0 H GLY A 33 11.004 -2.500 -8.428 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.392 -2.804 -10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.564 -3.611 -9.448 1.00 0.00 H new ATOM 473 N GLN A 34 11.660 -5.509 -8.703 1.00 0.00 N ATOM 474 CA GLN A 34 10.981 -6.798 -8.765 1.00 0.00 C ATOM 475 C GLN A 34 9.664 -6.683 -9.525 1.00 0.00 C ATOM 476 O GLN A 34 8.985 -5.658 -9.462 1.00 0.00 O ATOM 477 CB GLN A 34 10.725 -7.332 -7.354 1.00 0.00 C ATOM 478 CG GLN A 34 11.901 -8.097 -6.770 1.00 0.00 C ATOM 479 CD GLN A 34 12.390 -9.203 -7.685 1.00 0.00 C ATOM 480 OE1 GLN A 34 13.303 -8.865 -8.588 1.00 0.00 O flip ATOM 481 NE2 GLN A 34 11.950 -10.349 -7.582 1.00 0.00 N flip ATOM 0 H GLN A 34 12.034 -5.273 -7.784 1.00 0.00 H new ATOM 0 HA GLN A 34 11.627 -7.496 -9.298 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.483 -6.497 -6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.852 -7.984 -7.374 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.719 -7.404 -6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.610 -8.526 -5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.249 -10.564 -6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.287 -11.083 -8.205 1.00 0.00 H new ATOM 490 N THR A 35 9.307 -7.743 -10.244 1.00 0.00 N ATOM 491 CA THR A 35 8.072 -7.761 -11.017 1.00 0.00 C ATOM 492 C THR A 35 6.853 -7.838 -10.105 1.00 0.00 C ATOM 493 O THR A 35 6.881 -8.503 -9.070 1.00 0.00 O ATOM 494 CB THR A 35 8.040 -8.948 -11.998 1.00 0.00 C ATOM 495 OG1 THR A 35 9.110 -8.831 -12.943 1.00 0.00 O ATOM 496 CG2 THR A 35 6.711 -9.006 -12.735 1.00 0.00 C ATOM 0 H THR A 35 9.856 -8.600 -10.307 1.00 0.00 H new ATOM 0 HA THR A 35 8.041 -6.830 -11.583 1.00 0.00 H new ATOM 0 HB THR A 35 8.160 -9.867 -11.425 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.084 -9.590 -13.562 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.712 -9.852 -13.422 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.901 -9.124 -12.015 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.566 -8.083 -13.297 1.00 0.00 H new ATOM 504 N ALA A 36 5.783 -7.153 -10.496 1.00 0.00 N ATOM 505 CA ALA A 36 4.552 -7.146 -9.715 1.00 0.00 C ATOM 506 C ALA A 36 3.377 -7.661 -10.538 1.00 0.00 C ATOM 507 O ALA A 36 3.313 -7.448 -11.748 1.00 0.00 O ATOM 508 CB ALA A 36 4.264 -5.745 -9.197 1.00 0.00 C ATOM 0 H ALA A 36 5.744 -6.596 -11.349 1.00 0.00 H new ATOM 0 HA ALA A 36 4.686 -7.815 -8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.342 -5.754 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.088 -5.414 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.155 -5.061 -10.039 1.00 0.00 H new ATOM 514 N TYR A 37 2.449 -8.341 -9.873 1.00 0.00 N ATOM 515 CA TYR A 37 1.276 -8.890 -10.544 1.00 0.00 C ATOM 516 C TYR A 37 0.041 -8.037 -10.268 1.00 0.00 C ATOM 517 O TYR A 37 -0.187 -7.606 -9.138 1.00 0.00 O ATOM 518 CB TYR A 37 1.028 -10.329 -10.089 1.00 0.00 C ATOM 519 CG TYR A 37 2.110 -11.294 -10.517 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.253 -11.473 -9.747 1.00 0.00 C ATOM 521 CD2 TYR A 37 1.990 -12.027 -11.691 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.245 -12.353 -10.134 1.00 0.00 C ATOM 523 CE2 TYR A 37 2.975 -12.911 -12.085 1.00 0.00 C ATOM 524 CZ TYR A 37 4.101 -13.071 -11.304 1.00 0.00 C ATOM 525 OH TYR A 37 5.086 -13.949 -11.694 1.00 0.00 O ATOM 0 H TYR A 37 2.486 -8.525 -8.870 1.00 0.00 H new ATOM 0 HA TYR A 37 1.467 -8.884 -11.617 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.945 -10.348 -9.002 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.072 -10.668 -10.488 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.368 -10.914 -8.830 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.111 -11.903 -12.306 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.128 -12.478 -9.525 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.864 -13.474 -13.000 1.00 0.00 H new ATOM 0 HH TYR A 37 4.829 -14.374 -12.539 1.00 0.00 H new ATOM 535 N GLN A 38 -0.750 -7.799 -11.309 1.00 0.00 N ATOM 536 CA GLN A 38 -1.962 -6.998 -11.179 1.00 0.00 C ATOM 537 C GLN A 38 -3.132 -7.660 -11.898 1.00 0.00 C ATOM 538 O GLN A 38 -2.991 -8.139 -13.023 1.00 0.00 O ATOM 539 CB GLN A 38 -1.732 -5.593 -11.740 1.00 0.00 C ATOM 540 CG GLN A 38 -2.622 -4.534 -11.110 1.00 0.00 C ATOM 541 CD GLN A 38 -2.010 -3.148 -11.169 1.00 0.00 C ATOM 542 OE1 GLN A 38 -1.217 -2.769 -10.306 1.00 0.00 O ATOM 543 NE2 GLN A 38 -2.376 -2.382 -12.191 1.00 0.00 N ATOM 0 H GLN A 38 -0.574 -8.149 -12.251 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.206 -6.923 -10.119 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.689 -5.316 -11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.905 -5.608 -12.816 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.585 -4.524 -11.620 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.815 -4.798 -10.070 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.036 -2.736 -12.883 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.997 -1.440 -12.283 1.00 0.00 H new ATOM 552 N ARG A 39 -4.287 -7.685 -11.240 1.00 0.00 N ATOM 553 CA ARG A 39 -5.481 -8.290 -11.817 1.00 0.00 C ATOM 554 C ARG A 39 -6.167 -7.328 -12.782 1.00 0.00 C ATOM 555 O ARG A 39 -5.854 -6.138 -12.817 1.00 0.00 O ATOM 556 CB ARG A 39 -6.455 -8.700 -10.710 1.00 0.00 C ATOM 557 CG ARG A 39 -6.000 -9.913 -9.916 1.00 0.00 C ATOM 558 CD ARG A 39 -7.128 -10.481 -9.070 1.00 0.00 C ATOM 559 NE ARG A 39 -8.178 -11.081 -9.890 1.00 0.00 N ATOM 560 CZ ARG A 39 -9.421 -11.278 -9.464 1.00 0.00 C ATOM 561 NH1 ARG A 39 -9.767 -10.925 -8.234 1.00 0.00 N ATOM 562 NH2 ARG A 39 -10.320 -11.830 -10.269 1.00 0.00 N ATOM 0 H ARG A 39 -4.421 -7.293 -10.308 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.176 -9.177 -12.372 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.591 -7.860 -10.028 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.428 -8.911 -11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.635 -10.680 -10.599 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.165 -9.635 -9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.727 -11.231 -8.388 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.556 -9.688 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.944 -11.364 -10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.078 -10.501 -7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.722 -11.077 -7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.057 -12.104 -11.216 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.274 -11.981 -9.941 1.00 0.00 H new ATOM 576 N LYS A 40 -7.104 -7.852 -13.565 1.00 0.00 N ATOM 577 CA LYS A 40 -7.835 -7.040 -14.531 1.00 0.00 C ATOM 578 C LYS A 40 -8.696 -5.998 -13.825 1.00 0.00 C ATOM 579 O LYS A 40 -9.213 -6.240 -12.736 1.00 0.00 O ATOM 580 CB LYS A 40 -8.714 -7.930 -15.414 1.00 0.00 C ATOM 581 CG LYS A 40 -9.664 -7.151 -16.307 1.00 0.00 C ATOM 582 CD LYS A 40 -9.005 -6.766 -17.621 1.00 0.00 C ATOM 583 CE LYS A 40 -10.033 -6.562 -18.722 1.00 0.00 C ATOM 584 NZ LYS A 40 -9.422 -6.661 -20.077 1.00 0.00 N ATOM 0 H LYS A 40 -7.375 -8.835 -13.550 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.108 -6.522 -15.156 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.074 -8.555 -16.036 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.293 -8.600 -14.778 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.552 -7.751 -16.506 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.997 -6.252 -15.789 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.429 -5.851 -17.486 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.302 -7.544 -17.918 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.822 -7.307 -18.624 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.501 -5.585 -18.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.155 -6.516 -20.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.686 -5.934 -20.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.997 -7.603 -20.198 1.00 0.00 H new ATOM 598 N GLY A 41 -8.847 -4.836 -14.455 1.00 0.00 N ATOM 599 CA GLY A 41 -9.647 -3.775 -13.873 1.00 0.00 C ATOM 600 C GLY A 41 -9.505 -3.703 -12.365 1.00 0.00 C ATOM 601 O GLY A 41 -10.499 -3.739 -11.639 1.00 0.00 O ATOM 0 H GLY A 41 -8.429 -4.611 -15.358 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.352 -2.821 -14.309 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.695 -3.932 -14.129 1.00 0.00 H new ATOM 605 N SER A 42 -8.267 -3.602 -11.893 1.00 0.00 N ATOM 606 CA SER A 42 -7.999 -3.530 -10.461 1.00 0.00 C ATOM 607 C SER A 42 -6.725 -2.736 -10.187 1.00 0.00 C ATOM 608 O SER A 42 -5.810 -2.706 -11.009 1.00 0.00 O ATOM 609 CB SER A 42 -7.873 -4.937 -9.873 1.00 0.00 C ATOM 610 OG SER A 42 -6.580 -5.471 -10.101 1.00 0.00 O ATOM 0 H SER A 42 -7.434 -3.568 -12.480 1.00 0.00 H new ATOM 0 HA SER A 42 -8.835 -3.019 -9.985 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.074 -4.906 -8.802 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.623 -5.590 -10.319 1.00 0.00 H new ATOM 0 HG SER A 42 -6.417 -5.533 -11.065 1.00 0.00 H new ATOM 616 N ALA A 43 -6.674 -2.095 -9.024 1.00 0.00 N ATOM 617 CA ALA A 43 -5.513 -1.303 -8.638 1.00 0.00 C ATOM 618 C ALA A 43 -4.772 -1.946 -7.472 1.00 0.00 C ATOM 619 O ALA A 43 -4.328 -1.260 -6.550 1.00 0.00 O ATOM 620 CB ALA A 43 -5.936 0.114 -8.280 1.00 0.00 C ATOM 0 H ALA A 43 -7.424 -2.109 -8.333 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.833 -1.264 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.059 0.694 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.414 0.580 -9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.639 0.084 -7.448 1.00 0.00 H new ATOM 626 N HIS A 44 -4.641 -3.269 -7.516 1.00 0.00 N ATOM 627 CA HIS A 44 -3.953 -4.005 -6.462 1.00 0.00 C ATOM 628 C HIS A 44 -2.806 -4.831 -7.035 1.00 0.00 C ATOM 629 O HIS A 44 -2.978 -5.553 -8.019 1.00 0.00 O ATOM 630 CB HIS A 44 -4.934 -4.916 -5.723 1.00 0.00 C ATOM 631 CG HIS A 44 -5.732 -4.210 -4.671 1.00 0.00 C ATOM 632 ND1 HIS A 44 -6.928 -4.692 -4.183 1.00 0.00 N ATOM 633 CD2 HIS A 44 -5.498 -3.051 -4.012 1.00 0.00 C ATOM 634 CE1 HIS A 44 -7.396 -3.860 -3.270 1.00 0.00 C ATOM 635 NE2 HIS A 44 -6.547 -2.856 -3.147 1.00 0.00 N ATOM 0 H HIS A 44 -5.003 -3.852 -8.271 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.540 -3.282 -5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.616 -5.363 -6.446 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.380 -5.733 -5.260 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.645 -2.401 -4.142 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.316 -3.980 -2.718 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.653 -2.064 -2.513 1.00 0.00 H new ATOM 644 N LEU A 45 -1.636 -4.721 -6.416 1.00 0.00 N ATOM 645 CA LEU A 45 -0.460 -5.457 -6.865 1.00 0.00 C ATOM 646 C LEU A 45 -0.170 -6.636 -5.942 1.00 0.00 C ATOM 647 O LEU A 45 -0.738 -6.741 -4.855 1.00 0.00 O ATOM 648 CB LEU A 45 0.755 -4.530 -6.924 1.00 0.00 C ATOM 649 CG LEU A 45 0.761 -3.502 -8.057 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.936 -2.549 -7.907 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.807 -4.200 -9.409 1.00 0.00 C ATOM 0 H LEU A 45 -1.476 -4.129 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.663 -5.843 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.826 -3.997 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.651 -5.144 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.160 -2.922 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.924 -1.825 -8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.860 -2.025 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.868 -3.113 -7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.811 -3.454 -10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.711 -4.805 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.068 -4.841 -9.517 1.00 0.00 H new ATOM 663 N PHE A 46 0.720 -7.520 -6.381 1.00 0.00 N ATOM 664 CA PHE A 46 1.087 -8.691 -5.594 1.00 0.00 C ATOM 665 C PHE A 46 2.567 -9.019 -5.764 1.00 0.00 C ATOM 666 O PHE A 46 3.195 -8.616 -6.744 1.00 0.00 O ATOM 667 CB PHE A 46 0.236 -9.895 -6.003 1.00 0.00 C ATOM 668 CG PHE A 46 -1.230 -9.713 -5.730 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.724 -9.803 -4.439 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.114 -9.452 -6.765 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.073 -9.637 -4.185 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.463 -9.284 -6.517 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.943 -9.376 -5.226 1.00 0.00 C ATOM 0 H PHE A 46 1.200 -7.447 -7.278 1.00 0.00 H new ATOM 0 HA PHE A 46 0.902 -8.464 -4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.378 -10.086 -7.067 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.590 -10.778 -5.470 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.048 -10.005 -3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.744 -9.379 -7.777 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.446 -9.711 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.141 -9.081 -7.333 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.997 -9.244 -5.030 1.00 0.00 H new ATOM 683 N CYS A 47 3.119 -9.753 -4.804 1.00 0.00 N ATOM 684 CA CYS A 47 4.525 -10.136 -4.845 1.00 0.00 C ATOM 685 C CYS A 47 4.734 -11.341 -5.757 1.00 0.00 C ATOM 686 O CYS A 47 5.724 -11.417 -6.486 1.00 0.00 O ATOM 687 CB CYS A 47 5.030 -10.455 -3.437 1.00 0.00 C ATOM 688 SG CYS A 47 4.422 -12.036 -2.769 1.00 0.00 S ATOM 0 H CYS A 47 2.613 -10.095 -3.987 1.00 0.00 H new ATOM 0 HA CYS A 47 5.093 -9.296 -5.246 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.120 -10.473 -3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.732 -9.650 -2.765 1.00 0.00 H new ATOM 693 N SER A 48 3.795 -12.281 -5.712 1.00 0.00 N ATOM 694 CA SER A 48 3.878 -13.484 -6.531 1.00 0.00 C ATOM 695 C SER A 48 2.510 -14.146 -6.665 1.00 0.00 C ATOM 696 O SER A 48 1.620 -13.932 -5.841 1.00 0.00 O ATOM 697 CB SER A 48 4.877 -14.472 -5.925 1.00 0.00 C ATOM 698 OG SER A 48 6.175 -13.907 -5.856 1.00 0.00 O ATOM 0 H SER A 48 2.968 -12.232 -5.117 1.00 0.00 H new ATOM 0 HA SER A 48 4.221 -13.194 -7.524 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.549 -14.760 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.904 -15.381 -6.526 1.00 0.00 H new ATOM 0 HG SER A 48 6.214 -13.107 -6.421 1.00 0.00 H new ATOM 704 N THR A 49 2.348 -14.951 -7.710 1.00 0.00 N ATOM 705 CA THR A 49 1.089 -15.643 -7.954 1.00 0.00 C ATOM 706 C THR A 49 0.528 -16.235 -6.666 1.00 0.00 C ATOM 707 O THR A 49 -0.631 -16.007 -6.318 1.00 0.00 O ATOM 708 CB THR A 49 1.259 -16.768 -8.992 1.00 0.00 C ATOM 709 OG1 THR A 49 2.324 -17.641 -8.599 1.00 0.00 O ATOM 710 CG2 THR A 49 1.550 -16.194 -10.371 1.00 0.00 C ATOM 0 H THR A 49 3.074 -15.140 -8.401 1.00 0.00 H new ATOM 0 HA THR A 49 0.391 -14.902 -8.343 1.00 0.00 H new ATOM 0 HB THR A 49 0.327 -17.331 -9.040 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.424 -18.354 -9.263 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.666 -17.008 -11.087 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.724 -15.554 -10.680 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.469 -15.609 -10.335 1.00 0.00 H new ATOM 718 N THR A 50 1.358 -16.998 -5.961 1.00 0.00 N ATOM 719 CA THR A 50 0.945 -17.623 -4.711 1.00 0.00 C ATOM 720 C THR A 50 -0.032 -16.736 -3.949 1.00 0.00 C ATOM 721 O THR A 50 -0.999 -17.222 -3.360 1.00 0.00 O ATOM 722 CB THR A 50 2.156 -17.928 -3.808 1.00 0.00 C ATOM 723 OG1 THR A 50 1.715 -18.524 -2.583 1.00 0.00 O ATOM 724 CG2 THR A 50 2.940 -16.660 -3.508 1.00 0.00 C ATOM 0 H THR A 50 2.320 -17.198 -6.235 1.00 0.00 H new ATOM 0 HA THR A 50 0.452 -18.559 -4.974 1.00 0.00 H new ATOM 0 HB THR A 50 2.809 -18.623 -4.335 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.490 -18.716 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.790 -16.900 -2.869 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.299 -16.225 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.294 -15.945 -2.999 1.00 0.00 H new ATOM 732 N CYS A 51 0.224 -15.432 -3.964 1.00 0.00 N ATOM 733 CA CYS A 51 -0.633 -14.476 -3.274 1.00 0.00 C ATOM 734 C CYS A 51 -1.795 -14.045 -4.165 1.00 0.00 C ATOM 735 O CYS A 51 -2.959 -14.137 -3.773 1.00 0.00 O ATOM 736 CB CYS A 51 0.176 -13.251 -2.845 1.00 0.00 C ATOM 737 SG CYS A 51 1.258 -13.539 -1.408 1.00 0.00 S ATOM 0 H CYS A 51 1.019 -15.013 -4.447 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.039 -14.964 -2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.786 -12.920 -3.685 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.512 -12.439 -2.611 1.00 0.00 H new ATOM 742 N LEU A 52 -1.471 -13.577 -5.365 1.00 0.00 N ATOM 743 CA LEU A 52 -2.486 -13.132 -6.312 1.00 0.00 C ATOM 744 C LEU A 52 -3.745 -13.987 -6.203 1.00 0.00 C ATOM 745 O LEU A 52 -4.862 -13.472 -6.232 1.00 0.00 O ATOM 746 CB LEU A 52 -1.940 -13.189 -7.740 1.00 0.00 C ATOM 747 CG LEU A 52 -2.977 -13.099 -8.860 1.00 0.00 C ATOM 748 CD1 LEU A 52 -3.224 -11.648 -9.244 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.526 -13.904 -10.070 1.00 0.00 C ATOM 0 H LEU A 52 -0.513 -13.496 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.746 -12.102 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.226 -12.375 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.386 -14.120 -7.859 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.914 -13.521 -8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.965 -11.604 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.592 -11.100 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.292 -11.199 -9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.276 -13.829 -10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.577 -13.512 -10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.402 -14.949 -9.786 1.00 0.00 H new ATOM 761 N SER A 53 -3.555 -15.297 -6.075 1.00 0.00 N ATOM 762 CA SER A 53 -4.675 -16.224 -5.963 1.00 0.00 C ATOM 763 C SER A 53 -5.220 -16.246 -4.538 1.00 0.00 C ATOM 764 O SER A 53 -6.431 -16.177 -4.324 1.00 0.00 O ATOM 765 CB SER A 53 -4.242 -17.631 -6.377 1.00 0.00 C ATOM 766 OG SER A 53 -5.358 -18.416 -6.760 1.00 0.00 O ATOM 0 H SER A 53 -2.636 -15.740 -6.046 1.00 0.00 H new ATOM 0 HA SER A 53 -5.466 -15.884 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.536 -17.569 -7.205 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.721 -18.113 -5.550 1.00 0.00 H new ATOM 0 HG SER A 53 -5.055 -19.310 -7.022 1.00 0.00 H new ATOM 772 N SER A 54 -4.318 -16.344 -3.567 1.00 0.00 N ATOM 773 CA SER A 54 -4.708 -16.379 -2.162 1.00 0.00 C ATOM 774 C SER A 54 -5.658 -15.232 -1.833 1.00 0.00 C ATOM 775 O SER A 54 -6.690 -15.430 -1.192 1.00 0.00 O ATOM 776 CB SER A 54 -3.470 -16.306 -1.266 1.00 0.00 C ATOM 777 OG SER A 54 -3.830 -16.040 0.079 1.00 0.00 O ATOM 0 H SER A 54 -3.312 -16.401 -3.727 1.00 0.00 H new ATOM 0 HA SER A 54 -5.226 -17.320 -1.977 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.922 -17.247 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.801 -15.526 -1.628 1.00 0.00 H new ATOM 0 HG SER A 54 -3.098 -16.308 0.673 1.00 0.00 H new ATOM 783 N PHE A 55 -5.301 -14.031 -2.276 1.00 0.00 N ATOM 784 CA PHE A 55 -6.119 -12.850 -2.028 1.00 0.00 C ATOM 785 C PHE A 55 -7.584 -13.125 -2.356 1.00 0.00 C ATOM 786 O PHE A 55 -8.467 -12.916 -1.524 1.00 0.00 O ATOM 787 CB PHE A 55 -5.613 -11.668 -2.857 1.00 0.00 C ATOM 788 CG PHE A 55 -6.120 -10.338 -2.379 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.944 -9.948 -1.061 1.00 0.00 C ATOM 790 CD2 PHE A 55 -6.774 -9.479 -3.247 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.410 -8.724 -0.618 1.00 0.00 C ATOM 792 CE2 PHE A 55 -7.242 -8.254 -2.809 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.060 -7.877 -1.493 1.00 0.00 C ATOM 0 H PHE A 55 -4.450 -13.850 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.041 -12.601 -0.970 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.523 -11.661 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.911 -11.809 -3.896 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.437 -10.608 -0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.920 -9.769 -4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.266 -8.431 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.749 -7.592 -3.495 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.426 -6.921 -1.149 1.00 0.00 H new ATOM 803 N SER A 56 -7.833 -13.595 -3.573 1.00 0.00 N ATOM 804 CA SER A 56 -9.191 -13.895 -4.014 1.00 0.00 C ATOM 805 C SER A 56 -10.003 -14.522 -2.884 1.00 0.00 C ATOM 806 O SER A 56 -9.757 -15.660 -2.485 1.00 0.00 O ATOM 807 CB SER A 56 -9.162 -14.837 -5.219 1.00 0.00 C ATOM 808 OG SER A 56 -10.474 -15.141 -5.660 1.00 0.00 O ATOM 0 H SER A 56 -7.113 -13.777 -4.272 1.00 0.00 H new ATOM 0 HA SER A 56 -9.667 -12.959 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.599 -14.376 -6.031 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.642 -15.757 -4.953 1.00 0.00 H new ATOM 0 HG SER A 56 -10.428 -15.743 -6.432 1.00 0.00 H new ATOM 814 N SER A 57 -10.972 -13.769 -2.373 1.00 0.00 N ATOM 815 CA SER A 57 -11.818 -14.248 -1.286 1.00 0.00 C ATOM 816 C SER A 57 -12.965 -15.098 -1.825 1.00 0.00 C ATOM 817 O SER A 57 -13.195 -16.215 -1.363 1.00 0.00 O ATOM 818 CB SER A 57 -12.375 -13.067 -0.488 1.00 0.00 C ATOM 819 OG SER A 57 -13.140 -12.208 -1.314 1.00 0.00 O ATOM 0 H SER A 57 -11.191 -12.826 -2.694 1.00 0.00 H new ATOM 0 HA SER A 57 -11.208 -14.867 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.994 -13.436 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.554 -12.508 -0.039 1.00 0.00 H new ATOM 0 HG SER A 57 -13.486 -11.463 -0.780 1.00 0.00 H new ATOM 825 N GLY A 58 -13.683 -14.559 -2.806 1.00 0.00 N ATOM 826 CA GLY A 58 -14.797 -15.280 -3.393 1.00 0.00 C ATOM 827 C GLY A 58 -16.065 -14.451 -3.438 1.00 0.00 C ATOM 828 O GLY A 58 -16.030 -13.222 -3.389 1.00 0.00 O ATOM 0 H GLY A 58 -13.513 -13.636 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.533 -15.590 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.981 -16.188 -2.819 1.00 0.00 H new ATOM 832 N PRO A 59 -17.218 -15.130 -3.535 1.00 0.00 N ATOM 833 CA PRO A 59 -18.524 -14.468 -3.590 1.00 0.00 C ATOM 834 C PRO A 59 -18.903 -13.822 -2.262 1.00 0.00 C ATOM 835 O PRO A 59 -19.675 -14.384 -1.485 1.00 0.00 O ATOM 836 CB PRO A 59 -19.487 -15.611 -3.922 1.00 0.00 C ATOM 837 CG PRO A 59 -18.808 -16.837 -3.419 1.00 0.00 C ATOM 838 CD PRO A 59 -17.334 -16.597 -3.597 1.00 0.00 C ATOM 0 HA PRO A 59 -18.538 -13.655 -4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -20.453 -15.467 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -19.673 -15.673 -4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -19.051 -17.015 -2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -19.130 -17.717 -3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -16.751 -17.080 -2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.975 -16.989 -4.549 1.00 0.00 H new ATOM 846 N SER A 60 -18.356 -12.638 -2.007 1.00 0.00 N ATOM 847 CA SER A 60 -18.634 -11.917 -0.771 1.00 0.00 C ATOM 848 C SER A 60 -18.967 -10.455 -1.058 1.00 0.00 C ATOM 849 O SER A 60 -18.097 -9.587 -1.001 1.00 0.00 O ATOM 850 CB SER A 60 -17.435 -12.002 0.175 1.00 0.00 C ATOM 851 OG SER A 60 -17.690 -11.310 1.386 1.00 0.00 O ATOM 0 H SER A 60 -17.717 -12.157 -2.641 1.00 0.00 H new ATOM 0 HA SER A 60 -19.497 -12.382 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.211 -13.047 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.555 -11.580 -0.310 1.00 0.00 H new ATOM 0 HG SER A 60 -16.909 -11.381 1.974 1.00 0.00 H new ATOM 857 N SER A 61 -20.233 -10.193 -1.366 1.00 0.00 N ATOM 858 CA SER A 61 -20.681 -8.838 -1.665 1.00 0.00 C ATOM 859 C SER A 61 -19.673 -8.116 -2.553 1.00 0.00 C ATOM 860 O SER A 61 -19.380 -6.939 -2.349 1.00 0.00 O ATOM 861 CB SER A 61 -20.894 -8.050 -0.371 1.00 0.00 C ATOM 862 OG SER A 61 -19.679 -7.905 0.343 1.00 0.00 O ATOM 0 H SER A 61 -20.966 -10.900 -1.415 1.00 0.00 H new ATOM 0 HA SER A 61 -21.628 -8.906 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 61 -21.303 -7.067 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 61 -21.628 -8.561 0.253 1.00 0.00 H new ATOM 0 HG SER A 61 -18.937 -8.241 -0.202 1.00 0.00 H new ATOM 868 N GLY A 62 -19.144 -8.832 -3.541 1.00 0.00 N ATOM 869 CA GLY A 62 -18.174 -8.244 -4.447 1.00 0.00 C ATOM 870 C GLY A 62 -18.461 -8.574 -5.898 1.00 0.00 C ATOM 871 O GLY A 62 -19.620 -8.800 -6.243 1.00 0.00 O ATOM 0 H GLY A 62 -19.370 -9.809 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -18.170 -7.162 -4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -17.177 -8.599 -4.187 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.591 -11.629 -1.386 1.00 0.00 ZN