USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 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 11 LYS NZ :NH3+ -159:sc= -0.0526 (180deg=-0.325) USER MOD Set 1.2: A 13 HIS : no HE2:sc= -1.09 X(o=-1.1,f=-0.9) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0122 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.000529 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 LYS NZ :NH3+ 155:sc= -0.0404 (180deg=-0.787) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 18 SER OG : rot 32:sc= 0.363 USER MOD Single : A 19 GLN :FLIP amide:sc= -1.03 F(o=-2.2!,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -49:sc= 0.375 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -107:sc= -4.29! (180deg=-8.91!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 44:sc= 0.853 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.072 K(o=-0.072,f=-0.97) USER MOD Single : A 56 ASN : amide:sc= -0.694 K(o=-0.69,f=-6.3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.308 -19.148 -32.790 1.00 0.00 N ATOM 2 CA GLY A 1 0.356 -18.138 -31.750 1.00 0.00 C ATOM 3 C GLY A 1 -1.017 -17.809 -31.197 1.00 0.00 C ATOM 4 O GLY A 1 -2.002 -17.786 -31.935 1.00 0.00 O ATOM 0 H1 GLY A 1 0.976 -18.899 -33.547 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.568 -20.072 -32.389 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.655 -19.199 -33.180 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.997 -18.486 -30.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.810 -17.231 -32.149 1.00 0.00 H new ATOM 8 N SER A 2 -1.083 -17.556 -29.893 1.00 0.00 N ATOM 9 CA SER A 2 -2.346 -17.233 -29.241 1.00 0.00 C ATOM 10 C SER A 2 -2.119 -16.321 -28.039 1.00 0.00 C ATOM 11 O SER A 2 -1.149 -16.481 -27.299 1.00 0.00 O ATOM 12 CB SER A 2 -3.058 -18.513 -28.797 1.00 0.00 C ATOM 13 OG SER A 2 -3.389 -19.324 -29.910 1.00 0.00 O ATOM 0 H SER A 2 -0.277 -17.569 -29.268 1.00 0.00 H new ATOM 0 HA SER A 2 -2.974 -16.708 -29.961 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.417 -19.071 -28.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.964 -18.257 -28.247 1.00 0.00 H new ATOM 0 HG SER A 2 -3.841 -20.136 -29.600 1.00 0.00 H new ATOM 19 N SER A 3 -3.022 -15.364 -27.851 1.00 0.00 N ATOM 20 CA SER A 3 -2.919 -14.423 -26.742 1.00 0.00 C ATOM 21 C SER A 3 -4.192 -13.591 -26.615 1.00 0.00 C ATOM 22 O SER A 3 -4.682 -13.033 -27.596 1.00 0.00 O ATOM 23 CB SER A 3 -1.713 -13.503 -26.936 1.00 0.00 C ATOM 24 OG SER A 3 -1.942 -12.575 -27.982 1.00 0.00 O ATOM 0 H SER A 3 -3.833 -15.220 -28.452 1.00 0.00 H new ATOM 0 HA SER A 3 -2.786 -14.995 -25.824 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.508 -12.967 -26.009 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.829 -14.100 -27.162 1.00 0.00 H new ATOM 0 HG SER A 3 -1.157 -11.997 -28.085 1.00 0.00 H new ATOM 30 N GLY A 4 -4.723 -13.514 -25.399 1.00 0.00 N ATOM 31 CA GLY A 4 -5.934 -12.750 -25.164 1.00 0.00 C ATOM 32 C GLY A 4 -6.545 -13.033 -23.806 1.00 0.00 C ATOM 33 O GLY A 4 -6.584 -14.180 -23.363 1.00 0.00 O ATOM 0 H GLY A 4 -4.336 -13.968 -24.572 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.710 -11.686 -25.243 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.662 -12.981 -25.942 1.00 0.00 H new ATOM 37 N SER A 5 -7.021 -11.984 -23.143 1.00 0.00 N ATOM 38 CA SER A 5 -7.628 -12.124 -21.825 1.00 0.00 C ATOM 39 C SER A 5 -9.139 -11.924 -21.898 1.00 0.00 C ATOM 40 O SER A 5 -9.659 -11.395 -22.881 1.00 0.00 O ATOM 41 CB SER A 5 -7.016 -11.118 -20.849 1.00 0.00 C ATOM 42 OG SER A 5 -5.827 -11.628 -20.270 1.00 0.00 O ATOM 0 H SER A 5 -6.998 -11.028 -23.497 1.00 0.00 H new ATOM 0 HA SER A 5 -7.430 -13.134 -21.467 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.799 -10.186 -21.371 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.735 -10.884 -20.064 1.00 0.00 H new ATOM 0 HG SER A 5 -5.454 -10.966 -19.651 1.00 0.00 H new ATOM 48 N SER A 6 -9.838 -12.351 -20.852 1.00 0.00 N ATOM 49 CA SER A 6 -11.289 -12.223 -20.798 1.00 0.00 C ATOM 50 C SER A 6 -11.722 -10.798 -21.131 1.00 0.00 C ATOM 51 O SER A 6 -10.928 -9.862 -21.048 1.00 0.00 O ATOM 52 CB SER A 6 -11.806 -12.614 -19.412 1.00 0.00 C ATOM 53 OG SER A 6 -12.027 -14.011 -19.325 1.00 0.00 O ATOM 0 H SER A 6 -9.423 -12.789 -20.030 1.00 0.00 H new ATOM 0 HA SER A 6 -11.716 -12.897 -21.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.086 -12.309 -18.653 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.734 -12.082 -19.203 1.00 0.00 H new ATOM 0 HG SER A 6 -12.355 -14.235 -18.429 1.00 0.00 H new ATOM 59 N GLY A 7 -12.987 -10.644 -21.508 1.00 0.00 N ATOM 60 CA GLY A 7 -13.505 -9.331 -21.848 1.00 0.00 C ATOM 61 C GLY A 7 -13.887 -8.523 -20.624 1.00 0.00 C ATOM 62 O GLY A 7 -15.064 -8.239 -20.400 1.00 0.00 O ATOM 0 H GLY A 7 -13.663 -11.404 -21.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.755 -8.785 -22.420 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.377 -9.444 -22.492 1.00 0.00 H new ATOM 66 N LYS A 8 -12.891 -8.153 -19.826 1.00 0.00 N ATOM 67 CA LYS A 8 -13.128 -7.374 -18.617 1.00 0.00 C ATOM 68 C LYS A 8 -14.269 -6.382 -18.823 1.00 0.00 C ATOM 69 O LYS A 8 -14.440 -5.837 -19.914 1.00 0.00 O ATOM 70 CB LYS A 8 -11.856 -6.626 -18.210 1.00 0.00 C ATOM 71 CG LYS A 8 -11.567 -5.406 -19.066 1.00 0.00 C ATOM 72 CD LYS A 8 -10.860 -5.784 -20.357 1.00 0.00 C ATOM 73 CE LYS A 8 -9.348 -5.768 -20.189 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.824 -7.092 -19.754 1.00 0.00 N ATOM 0 H LYS A 8 -11.911 -8.381 -19.995 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.408 -8.063 -17.820 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.945 -6.316 -17.169 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.009 -7.309 -18.268 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.501 -4.894 -19.298 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.950 -4.704 -18.504 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.182 -6.777 -20.672 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.147 -5.090 -21.147 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.881 -5.485 -21.132 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.072 -5.010 -19.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.831 -7.186 -20.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.888 -7.168 -18.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.387 -7.849 -20.192 1.00 0.00 H new ATOM 88 N ARG A 9 -15.044 -6.152 -17.769 1.00 0.00 N ATOM 89 CA ARG A 9 -16.168 -5.226 -17.835 1.00 0.00 C ATOM 90 C ARG A 9 -15.783 -3.862 -17.271 1.00 0.00 C ATOM 91 O ARG A 9 -14.838 -3.748 -16.490 1.00 0.00 O ATOM 92 CB ARG A 9 -17.366 -5.787 -17.067 1.00 0.00 C ATOM 93 CG ARG A 9 -18.096 -6.898 -17.804 1.00 0.00 C ATOM 94 CD ARG A 9 -19.315 -7.373 -17.030 1.00 0.00 C ATOM 95 NE ARG A 9 -20.515 -6.618 -17.380 1.00 0.00 N ATOM 96 CZ ARG A 9 -21.254 -6.870 -18.454 1.00 0.00 C ATOM 97 NH1 ARG A 9 -20.919 -7.852 -19.279 1.00 0.00 N ATOM 98 NH2 ARG A 9 -22.332 -6.138 -18.706 1.00 0.00 N ATOM 0 H ARG A 9 -14.914 -6.594 -16.859 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.442 -5.103 -18.883 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.024 -6.165 -16.103 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.066 -4.978 -16.862 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -18.404 -6.542 -18.787 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.417 -7.736 -17.966 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.482 -8.431 -17.230 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -19.125 -7.277 -15.961 1.00 0.00 H new ATOM 0 HE ARG A 9 -20.801 -5.855 -16.766 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -20.091 -8.417 -19.090 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.489 -8.043 -20.103 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -22.593 -5.381 -18.074 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -22.899 -6.332 -19.531 1.00 0.00 H new ATOM 112 N GLN A 10 -16.519 -2.831 -17.672 1.00 0.00 N ATOM 113 CA GLN A 10 -16.253 -1.475 -17.207 1.00 0.00 C ATOM 114 C GLN A 10 -17.284 -1.043 -16.169 1.00 0.00 C ATOM 115 O GLN A 10 -18.413 -0.688 -16.509 1.00 0.00 O ATOM 116 CB GLN A 10 -16.258 -0.499 -18.384 1.00 0.00 C ATOM 117 CG GLN A 10 -17.298 -0.828 -19.443 1.00 0.00 C ATOM 118 CD GLN A 10 -17.471 0.285 -20.458 1.00 0.00 C ATOM 119 OE1 GLN A 10 -16.697 1.243 -20.484 1.00 0.00 O ATOM 120 NE2 GLN A 10 -18.490 0.165 -21.301 1.00 0.00 N ATOM 0 H GLN A 10 -17.304 -2.909 -18.318 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.268 -1.465 -16.740 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -16.439 0.508 -18.009 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.271 -0.494 -18.846 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -17.008 -1.743 -19.959 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -18.254 -1.024 -18.959 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.106 -0.646 -21.244 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -18.656 0.883 -22.006 1.00 0.00 H new ATOM 129 N LYS A 11 -16.888 -1.076 -14.901 1.00 0.00 N ATOM 130 CA LYS A 11 -17.777 -0.688 -13.812 1.00 0.00 C ATOM 131 C LYS A 11 -18.108 0.800 -13.883 1.00 0.00 C ATOM 132 O LYS A 11 -19.277 1.185 -13.897 1.00 0.00 O ATOM 133 CB LYS A 11 -17.135 -1.014 -12.461 1.00 0.00 C ATOM 134 CG LYS A 11 -15.774 -0.368 -12.263 1.00 0.00 C ATOM 135 CD LYS A 11 -15.029 -0.986 -11.092 1.00 0.00 C ATOM 136 CE LYS A 11 -15.405 -0.319 -9.778 1.00 0.00 C ATOM 137 NZ LYS A 11 -14.881 1.072 -9.691 1.00 0.00 N ATOM 0 H LYS A 11 -15.957 -1.367 -14.602 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.703 -1.254 -13.914 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.802 -0.688 -11.663 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.032 -2.095 -12.369 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.182 -0.479 -13.171 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.899 0.701 -12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.254 -2.051 -11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.955 -0.894 -11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.490 -0.305 -9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.014 -0.907 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.836 1.364 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.928 1.111 -10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.512 1.714 -10.212 1.00 0.00 H new ATOM 151 N ILE A 12 -17.071 1.630 -13.931 1.00 0.00 N ATOM 152 CA ILE A 12 -17.253 3.074 -14.004 1.00 0.00 C ATOM 153 C ILE A 12 -18.527 3.505 -13.286 1.00 0.00 C ATOM 154 O ILE A 12 -19.290 4.329 -13.791 1.00 0.00 O ATOM 155 CB ILE A 12 -17.310 3.561 -15.464 1.00 0.00 C ATOM 156 CG1 ILE A 12 -17.198 5.086 -15.520 1.00 0.00 C ATOM 157 CG2 ILE A 12 -18.597 3.094 -16.128 1.00 0.00 C ATOM 158 CD1 ILE A 12 -16.685 5.605 -16.845 1.00 0.00 C ATOM 0 H ILE A 12 -16.097 1.327 -13.921 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.391 3.526 -13.512 1.00 0.00 H new ATOM 0 HB ILE A 12 -16.468 3.133 -16.008 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -18.177 5.522 -15.323 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -16.533 5.423 -14.725 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -18.623 3.446 -17.159 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -18.639 2.005 -16.115 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -19.453 3.496 -15.586 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -16.631 6.693 -16.813 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -15.692 5.198 -17.035 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -17.362 5.298 -17.643 1.00 0.00 H new ATOM 170 N HIS A 13 -18.751 2.944 -12.102 1.00 0.00 N ATOM 171 CA HIS A 13 -19.933 3.272 -11.311 1.00 0.00 C ATOM 172 C HIS A 13 -19.631 4.394 -10.323 1.00 0.00 C ATOM 173 O HIS A 13 -18.621 4.360 -9.618 1.00 0.00 O ATOM 174 CB HIS A 13 -20.430 2.036 -10.561 1.00 0.00 C ATOM 175 CG HIS A 13 -19.650 1.736 -9.318 1.00 0.00 C ATOM 176 ND1 HIS A 13 -20.215 1.727 -8.060 1.00 0.00 N ATOM 177 CD2 HIS A 13 -18.343 1.433 -9.144 1.00 0.00 C ATOM 178 CE1 HIS A 13 -19.288 1.432 -7.166 1.00 0.00 C ATOM 179 NE2 HIS A 13 -18.143 1.248 -7.798 1.00 0.00 N ATOM 0 H HIS A 13 -18.130 2.260 -11.669 1.00 0.00 H new ATOM 0 HA HIS A 13 -20.713 3.612 -11.992 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -21.478 2.178 -10.297 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -20.383 1.174 -11.226 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -21.195 1.918 -7.852 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -17.596 1.352 -9.920 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -19.441 1.354 -6.100 1.00 0.00 H new ATOM 187 N LEU A 14 -20.511 5.388 -10.277 1.00 0.00 N ATOM 188 CA LEU A 14 -20.339 6.521 -9.375 1.00 0.00 C ATOM 189 C LEU A 14 -20.575 6.106 -7.926 1.00 0.00 C ATOM 190 O LEU A 14 -21.488 5.336 -7.632 1.00 0.00 O ATOM 191 CB LEU A 14 -21.296 7.652 -9.756 1.00 0.00 C ATOM 192 CG LEU A 14 -20.833 8.572 -10.885 1.00 0.00 C ATOM 193 CD1 LEU A 14 -19.535 9.269 -10.508 1.00 0.00 C ATOM 194 CD2 LEU A 14 -20.662 7.787 -12.178 1.00 0.00 C ATOM 0 H LEU A 14 -21.351 5.432 -10.854 1.00 0.00 H new ATOM 0 HA LEU A 14 -19.312 6.875 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.251 7.212 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.478 8.261 -8.870 1.00 0.00 H new ATOM 0 HG LEU A 14 -21.598 9.333 -11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -19.221 9.920 -11.324 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -19.690 9.864 -9.608 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -18.762 8.523 -10.321 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.332 8.459 -12.970 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.918 7.004 -12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.614 7.335 -12.458 1.00 0.00 H new ATOM 206 N GLY A 15 -19.746 6.623 -7.025 1.00 0.00 N ATOM 207 CA GLY A 15 -19.882 6.296 -5.618 1.00 0.00 C ATOM 208 C GLY A 15 -18.555 5.955 -4.970 1.00 0.00 C ATOM 209 O GLY A 15 -18.018 6.740 -4.189 1.00 0.00 O ATOM 0 H GLY A 15 -18.982 7.263 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.332 7.139 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.563 5.452 -5.509 1.00 0.00 H new ATOM 213 N ASP A 16 -18.026 4.780 -5.294 1.00 0.00 N ATOM 214 CA ASP A 16 -16.753 4.336 -4.738 1.00 0.00 C ATOM 215 C ASP A 16 -15.584 5.017 -5.443 1.00 0.00 C ATOM 216 O ASP A 16 -15.549 5.097 -6.671 1.00 0.00 O ATOM 217 CB ASP A 16 -16.622 2.817 -4.858 1.00 0.00 C ATOM 218 CG ASP A 16 -17.497 2.080 -3.863 1.00 0.00 C ATOM 219 OD1 ASP A 16 -18.593 2.588 -3.546 1.00 0.00 O ATOM 220 OD2 ASP A 16 -17.087 0.994 -3.403 1.00 0.00 O ATOM 0 H ASP A 16 -18.459 4.118 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.729 4.613 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -16.890 2.511 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.581 2.532 -4.704 1.00 0.00 H new ATOM 225 N ARG A 17 -14.630 5.507 -4.658 1.00 0.00 N ATOM 226 CA ARG A 17 -13.461 6.184 -5.208 1.00 0.00 C ATOM 227 C ARG A 17 -12.224 5.295 -5.113 1.00 0.00 C ATOM 228 O ARG A 17 -11.123 5.775 -4.846 1.00 0.00 O ATOM 229 CB ARG A 17 -13.214 7.501 -4.470 1.00 0.00 C ATOM 230 CG ARG A 17 -12.546 8.563 -5.328 1.00 0.00 C ATOM 231 CD ARG A 17 -12.704 9.949 -4.722 1.00 0.00 C ATOM 232 NE ARG A 17 -12.523 11.004 -5.715 1.00 0.00 N ATOM 233 CZ ARG A 17 -13.472 11.386 -6.562 1.00 0.00 C ATOM 234 NH1 ARG A 17 -14.663 10.804 -6.536 1.00 0.00 N ATOM 235 NH2 ARG A 17 -13.232 12.354 -7.437 1.00 0.00 N ATOM 0 H ARG A 17 -14.643 5.448 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.655 6.396 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.166 7.887 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.592 7.307 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.487 8.331 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.980 8.550 -6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.694 10.038 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.978 10.078 -3.919 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.618 11.473 -5.761 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.853 10.060 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.390 11.100 -7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.318 12.806 -7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.962 12.646 -8.087 1.00 0.00 H new ATOM 249 N SER A 18 -12.415 3.998 -5.333 1.00 0.00 N ATOM 250 CA SER A 18 -11.316 3.042 -5.268 1.00 0.00 C ATOM 251 C SER A 18 -10.665 2.868 -6.636 1.00 0.00 C ATOM 252 O SER A 18 -11.321 2.477 -7.601 1.00 0.00 O ATOM 253 CB SER A 18 -11.818 1.691 -4.754 1.00 0.00 C ATOM 254 OG SER A 18 -12.866 1.193 -5.567 1.00 0.00 O ATOM 0 H SER A 18 -13.320 3.585 -5.558 1.00 0.00 H new ATOM 0 HA SER A 18 -10.569 3.432 -4.577 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.995 0.976 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.169 1.797 -3.727 1.00 0.00 H new ATOM 0 HG SER A 18 -12.733 1.490 -6.491 1.00 0.00 H new ATOM 260 N GLN A 19 -9.371 3.163 -6.711 1.00 0.00 N ATOM 261 CA GLN A 19 -8.631 3.040 -7.961 1.00 0.00 C ATOM 262 C GLN A 19 -7.676 1.852 -7.914 1.00 0.00 C ATOM 263 O GLN A 19 -7.344 1.351 -6.840 1.00 0.00 O ATOM 264 CB GLN A 19 -7.852 4.325 -8.245 1.00 0.00 C ATOM 265 CG GLN A 19 -7.308 4.406 -9.662 1.00 0.00 C ATOM 266 CD GLN A 19 -7.211 5.832 -10.170 1.00 0.00 C ATOM 267 OE1 GLN A 19 -6.191 6.553 -9.719 1.00 0.00 O flip ATOM 268 NE2 GLN A 19 -8.044 6.280 -10.958 1.00 0.00 N flip ATOM 0 H GLN A 19 -8.814 3.489 -5.921 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.349 2.874 -8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.502 5.181 -8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.023 4.400 -7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.321 3.945 -9.695 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.951 3.830 -10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.812 5.690 -11.278 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.966 7.241 -11.290 1.00 0.00 H new ATOM 277 N LYS A 20 -7.238 1.405 -9.086 1.00 0.00 N ATOM 278 CA LYS A 20 -6.320 0.276 -9.180 1.00 0.00 C ATOM 279 C LYS A 20 -4.894 0.754 -9.434 1.00 0.00 C ATOM 280 O LYS A 20 -4.624 1.440 -10.421 1.00 0.00 O ATOM 281 CB LYS A 20 -6.758 -0.672 -10.298 1.00 0.00 C ATOM 282 CG LYS A 20 -6.195 -2.076 -10.160 1.00 0.00 C ATOM 283 CD LYS A 20 -6.501 -2.922 -11.385 1.00 0.00 C ATOM 284 CE LYS A 20 -6.248 -4.399 -11.120 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.578 -5.239 -12.304 1.00 0.00 N ATOM 0 H LYS A 20 -7.504 1.808 -9.985 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.342 -0.258 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.847 -0.726 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.447 -0.258 -11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.116 -2.024 -10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.615 -2.552 -9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.541 -2.777 -11.678 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.885 -2.590 -12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.202 -4.546 -10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.845 -4.723 -10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.392 -6.238 -12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.582 -5.119 -12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.990 -4.948 -13.111 1.00 0.00 H new ATOM 299 N CYS A 21 -3.983 0.387 -8.539 1.00 0.00 N ATOM 300 CA CYS A 21 -2.584 0.778 -8.666 1.00 0.00 C ATOM 301 C CYS A 21 -2.000 0.284 -9.987 1.00 0.00 C ATOM 302 O CYS A 21 -2.305 -0.819 -10.439 1.00 0.00 O ATOM 303 CB CYS A 21 -1.769 0.222 -7.497 1.00 0.00 C ATOM 304 SG CYS A 21 -0.014 0.710 -7.514 1.00 0.00 S ATOM 0 H CYS A 21 -4.189 -0.181 -7.717 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.534 1.867 -8.650 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.219 0.557 -6.563 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.832 -0.866 -7.509 1.00 0.00 H new ATOM 309 N SER A 22 -1.158 1.110 -10.600 1.00 0.00 N ATOM 310 CA SER A 22 -0.534 0.760 -11.871 1.00 0.00 C ATOM 311 C SER A 22 0.913 0.321 -11.662 1.00 0.00 C ATOM 312 O SER A 22 1.736 0.401 -12.574 1.00 0.00 O ATOM 313 CB SER A 22 -0.584 1.949 -12.833 1.00 0.00 C ATOM 314 OG SER A 22 -0.266 1.549 -14.155 1.00 0.00 O ATOM 0 H SER A 22 -0.892 2.026 -10.237 1.00 0.00 H new ATOM 0 HA SER A 22 -1.090 -0.072 -12.304 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.579 2.395 -12.814 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.116 2.717 -12.504 1.00 0.00 H new ATOM 0 HG SER A 22 0.554 1.012 -14.146 1.00 0.00 H new ATOM 320 N LYS A 23 1.215 -0.142 -10.455 1.00 0.00 N ATOM 321 CA LYS A 23 2.561 -0.596 -10.124 1.00 0.00 C ATOM 322 C LYS A 23 2.540 -2.029 -9.603 1.00 0.00 C ATOM 323 O LYS A 23 3.263 -2.893 -10.101 1.00 0.00 O ATOM 324 CB LYS A 23 3.190 0.329 -9.079 1.00 0.00 C ATOM 325 CG LYS A 23 4.548 -0.143 -8.589 1.00 0.00 C ATOM 326 CD LYS A 23 5.650 0.209 -9.574 1.00 0.00 C ATOM 327 CE LYS A 23 7.021 -0.174 -9.037 1.00 0.00 C ATOM 328 NZ LYS A 23 7.995 -0.426 -10.135 1.00 0.00 N ATOM 0 H LYS A 23 0.546 -0.213 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 23 3.161 -0.568 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.293 1.327 -9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.515 0.414 -8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.765 0.311 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.526 -1.222 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.472 -0.304 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.625 1.279 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.395 0.623 -8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.932 -1.067 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.917 -0.684 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.650 -1.204 -10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.099 0.434 -10.711 1.00 0.00 H new ATOM 342 N CYS A 24 1.705 -2.276 -8.598 1.00 0.00 N ATOM 343 CA CYS A 24 1.588 -3.605 -8.010 1.00 0.00 C ATOM 344 C CYS A 24 0.275 -4.267 -8.418 1.00 0.00 C ATOM 345 O CYS A 24 0.249 -5.437 -8.798 1.00 0.00 O ATOM 346 CB CYS A 24 1.677 -3.520 -6.485 1.00 0.00 C ATOM 347 SG CYS A 24 0.209 -2.787 -5.695 1.00 0.00 S ATOM 0 H CYS A 24 1.100 -1.573 -8.174 1.00 0.00 H new ATOM 0 HA CYS A 24 2.412 -4.214 -8.382 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.830 -4.522 -6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.554 -2.931 -6.215 1.00 0.00 H new ATOM 352 N GLY A 25 -0.814 -3.508 -8.338 1.00 0.00 N ATOM 353 CA GLY A 25 -2.115 -4.037 -8.702 1.00 0.00 C ATOM 354 C GLY A 25 -3.022 -4.222 -7.501 1.00 0.00 C ATOM 355 O GLY A 25 -3.710 -5.237 -7.385 1.00 0.00 O ATOM 0 H GLY A 25 -0.818 -2.536 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.592 -3.363 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.986 -4.994 -9.207 1.00 0.00 H new ATOM 359 N ILE A 26 -3.023 -3.241 -6.606 1.00 0.00 N ATOM 360 CA ILE A 26 -3.852 -3.300 -5.408 1.00 0.00 C ATOM 361 C ILE A 26 -4.946 -2.239 -5.443 1.00 0.00 C ATOM 362 O ILE A 26 -4.852 -1.261 -6.185 1.00 0.00 O ATOM 363 CB ILE A 26 -3.011 -3.113 -4.132 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.806 -3.556 -2.902 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.576 -1.662 -3.993 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.999 -3.539 -1.622 1.00 0.00 C ATOM 0 H ILE A 26 -2.459 -2.395 -6.687 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.310 -4.289 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.119 -3.734 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.672 -2.904 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.186 -4.564 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.982 -1.545 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.977 -1.377 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.457 -1.022 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.626 -3.864 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.148 -4.213 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.641 -2.527 -1.431 1.00 0.00 H new ATOM 378 N ILE A 27 -5.982 -2.438 -4.635 1.00 0.00 N ATOM 379 CA ILE A 27 -7.093 -1.496 -4.572 1.00 0.00 C ATOM 380 C ILE A 27 -6.906 -0.502 -3.431 1.00 0.00 C ATOM 381 O ILE A 27 -6.781 -0.890 -2.269 1.00 0.00 O ATOM 382 CB ILE A 27 -8.438 -2.223 -4.390 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.668 -3.212 -5.535 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.578 -1.218 -4.314 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.895 -2.544 -6.873 1.00 0.00 C ATOM 0 H ILE A 27 -6.075 -3.243 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.106 -0.959 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.408 -2.781 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.806 -3.875 -5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.530 -3.836 -5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.522 -1.748 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.418 -0.550 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.611 -0.635 -5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.051 -3.305 -7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.774 -1.902 -6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.024 -1.943 -7.132 1.00 0.00 H new ATOM 397 N PHE A 28 -6.891 0.783 -3.769 1.00 0.00 N ATOM 398 CA PHE A 28 -6.721 1.834 -2.773 1.00 0.00 C ATOM 399 C PHE A 28 -7.621 3.027 -3.082 1.00 0.00 C ATOM 400 O PHE A 28 -8.024 3.234 -4.227 1.00 0.00 O ATOM 401 CB PHE A 28 -5.259 2.284 -2.720 1.00 0.00 C ATOM 402 CG PHE A 28 -4.827 3.062 -3.930 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.312 2.412 -5.040 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.934 4.443 -3.956 1.00 0.00 C ATOM 405 CE1 PHE A 28 -3.914 3.125 -6.155 1.00 0.00 C ATOM 406 CE2 PHE A 28 -4.538 5.161 -5.069 1.00 0.00 C ATOM 407 CZ PHE A 28 -4.026 4.501 -6.169 1.00 0.00 C ATOM 0 H PHE A 28 -6.995 1.122 -4.726 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.005 1.429 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.108 2.896 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.621 1.407 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.221 1.336 -5.034 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.331 4.964 -3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.516 2.606 -7.015 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.629 6.237 -5.078 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.714 5.060 -7.039 1.00 0.00 H new ATOM 417 N ILE A 29 -7.932 3.808 -2.052 1.00 0.00 N ATOM 418 CA ILE A 29 -8.783 4.980 -2.213 1.00 0.00 C ATOM 419 C ILE A 29 -7.954 6.226 -2.505 1.00 0.00 C ATOM 420 O ILE A 29 -6.936 6.472 -1.857 1.00 0.00 O ATOM 421 CB ILE A 29 -9.640 5.229 -0.958 1.00 0.00 C ATOM 422 CG1 ILE A 29 -10.408 3.962 -0.578 1.00 0.00 C ATOM 423 CG2 ILE A 29 -10.600 6.386 -1.194 1.00 0.00 C ATOM 424 CD1 ILE A 29 -11.498 3.598 -1.561 1.00 0.00 C ATOM 0 H ILE A 29 -7.607 3.650 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.441 4.779 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.980 5.492 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.707 3.131 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.850 4.097 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.199 6.550 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.033 7.289 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.257 6.149 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.000 2.690 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.221 4.411 -1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.060 3.430 -2.545 1.00 0.00 H new ATOM 436 N ARG A 30 -8.397 7.009 -3.483 1.00 0.00 N ATOM 437 CA ARG A 30 -7.696 8.231 -3.860 1.00 0.00 C ATOM 438 C ARG A 30 -8.603 9.448 -3.703 1.00 0.00 C ATOM 439 O ARG A 30 -9.826 9.320 -3.640 1.00 0.00 O ATOM 440 CB ARG A 30 -7.200 8.134 -5.304 1.00 0.00 C ATOM 441 CG ARG A 30 -8.300 7.829 -6.307 1.00 0.00 C ATOM 442 CD ARG A 30 -8.931 9.103 -6.846 1.00 0.00 C ATOM 443 NE ARG A 30 -7.937 10.004 -7.423 1.00 0.00 N ATOM 444 CZ ARG A 30 -8.225 11.214 -7.891 1.00 0.00 C ATOM 445 NH1 ARG A 30 -9.472 11.664 -7.849 1.00 0.00 N ATOM 446 NH2 ARG A 30 -7.266 11.975 -8.401 1.00 0.00 N ATOM 0 H ARG A 30 -9.238 6.819 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.840 8.349 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.720 9.074 -5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.438 7.357 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.890 7.247 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.066 7.215 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.672 8.848 -7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.460 9.614 -6.042 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.969 9.687 -7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.212 11.081 -7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.691 12.593 -8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.306 11.632 -8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.488 12.904 -8.760 1.00 0.00 H new ATOM 460 N ARG A 31 -7.995 10.628 -3.641 1.00 0.00 N ATOM 461 CA ARG A 31 -8.747 11.868 -3.490 1.00 0.00 C ATOM 462 C ARG A 31 -8.276 12.915 -4.495 1.00 0.00 C ATOM 463 O ARG A 31 -9.085 13.539 -5.181 1.00 0.00 O ATOM 464 CB ARG A 31 -8.598 12.409 -2.067 1.00 0.00 C ATOM 465 CG ARG A 31 -9.391 11.627 -1.032 1.00 0.00 C ATOM 466 CD ARG A 31 -10.889 11.781 -1.245 1.00 0.00 C ATOM 467 NE ARG A 31 -11.653 11.388 -0.064 1.00 0.00 N ATOM 468 CZ ARG A 31 -12.903 11.774 0.164 1.00 0.00 C ATOM 469 NH1 ARG A 31 -13.527 12.560 -0.703 1.00 0.00 N ATOM 470 NH2 ARG A 31 -13.533 11.375 1.262 1.00 0.00 N ATOM 0 H ARG A 31 -6.984 10.752 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.798 11.652 -3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.544 12.396 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.919 13.450 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.121 10.572 -1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.127 11.973 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.115 12.818 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.199 11.174 -2.096 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.202 10.784 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.047 12.870 -1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.487 12.855 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.057 10.771 1.932 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.493 11.672 1.436 1.00 0.00 H new ATOM 484 N SER A 32 -6.962 13.102 -4.576 1.00 0.00 N ATOM 485 CA SER A 32 -6.384 14.076 -5.494 1.00 0.00 C ATOM 486 C SER A 32 -5.213 13.471 -6.262 1.00 0.00 C ATOM 487 O SER A 32 -4.589 12.510 -5.811 1.00 0.00 O ATOM 488 CB SER A 32 -5.920 15.317 -4.728 1.00 0.00 C ATOM 489 OG SER A 32 -6.950 15.815 -3.892 1.00 0.00 O ATOM 0 H SER A 32 -6.278 12.592 -4.017 1.00 0.00 H new ATOM 0 HA SER A 32 -7.154 14.366 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.046 15.071 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.614 16.090 -5.433 1.00 0.00 H new ATOM 0 HG SER A 32 -6.628 16.607 -3.413 1.00 0.00 H new ATOM 495 N THR A 33 -4.920 14.040 -7.427 1.00 0.00 N ATOM 496 CA THR A 33 -3.825 13.557 -8.259 1.00 0.00 C ATOM 497 C THR A 33 -2.488 14.118 -7.789 1.00 0.00 C ATOM 498 O THR A 33 -1.707 14.639 -8.587 1.00 0.00 O ATOM 499 CB THR A 33 -4.036 13.934 -9.738 1.00 0.00 C ATOM 500 OG1 THR A 33 -5.419 13.806 -10.084 1.00 0.00 O ATOM 501 CG2 THR A 33 -3.197 13.048 -10.647 1.00 0.00 C ATOM 0 H THR A 33 -5.426 14.836 -7.816 1.00 0.00 H new ATOM 0 HA THR A 33 -3.812 12.471 -8.166 1.00 0.00 H new ATOM 0 HB THR A 33 -3.722 14.969 -9.874 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.545 14.049 -11.025 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.362 13.333 -11.686 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.142 13.170 -10.401 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.485 12.006 -10.506 1.00 0.00 H new ATOM 509 N LEU A 34 -2.229 14.009 -6.491 1.00 0.00 N ATOM 510 CA LEU A 34 -0.985 14.505 -5.914 1.00 0.00 C ATOM 511 C LEU A 34 0.218 14.030 -6.724 1.00 0.00 C ATOM 512 O LEU A 34 1.121 14.809 -7.027 1.00 0.00 O ATOM 513 CB LEU A 34 -0.852 14.042 -4.463 1.00 0.00 C ATOM 514 CG LEU A 34 0.393 14.522 -3.716 1.00 0.00 C ATOM 515 CD1 LEU A 34 0.190 15.936 -3.194 1.00 0.00 C ATOM 516 CD2 LEU A 34 0.730 13.573 -2.575 1.00 0.00 C ATOM 0 H LEU A 34 -2.865 13.581 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.010 15.594 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.732 14.377 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.862 12.952 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 34 1.231 14.531 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.086 16.261 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.002 16.608 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.660 15.954 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.619 13.931 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.107 13.531 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.920 12.577 -2.974 1.00 0.00 H new ATOM 528 N SER A 35 0.221 12.748 -7.072 1.00 0.00 N ATOM 529 CA SER A 35 1.313 12.168 -7.846 1.00 0.00 C ATOM 530 C SER A 35 1.829 13.160 -8.884 1.00 0.00 C ATOM 531 O SER A 35 1.052 13.886 -9.505 1.00 0.00 O ATOM 532 CB SER A 35 0.852 10.883 -8.536 1.00 0.00 C ATOM 533 OG SER A 35 -0.041 11.167 -9.599 1.00 0.00 O ATOM 0 H SER A 35 -0.520 12.090 -6.831 1.00 0.00 H new ATOM 0 HA SER A 35 2.126 11.931 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.717 10.341 -8.919 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.364 10.232 -7.811 1.00 0.00 H new ATOM 0 HG SER A 35 -0.320 10.329 -10.025 1.00 0.00 H new ATOM 539 N ARG A 36 3.145 13.184 -9.068 1.00 0.00 N ATOM 540 CA ARG A 36 3.766 14.086 -10.030 1.00 0.00 C ATOM 541 C ARG A 36 3.821 13.449 -11.415 1.00 0.00 C ATOM 542 O ARG A 36 3.324 14.015 -12.389 1.00 0.00 O ATOM 543 CB ARG A 36 5.177 14.461 -9.573 1.00 0.00 C ATOM 544 CG ARG A 36 5.939 15.305 -10.580 1.00 0.00 C ATOM 545 CD ARG A 36 7.096 16.045 -9.926 1.00 0.00 C ATOM 546 NE ARG A 36 6.663 17.288 -9.293 1.00 0.00 N ATOM 547 CZ ARG A 36 7.349 17.904 -8.337 1.00 0.00 C ATOM 548 NH1 ARG A 36 8.495 17.395 -7.906 1.00 0.00 N ATOM 549 NH2 ARG A 36 6.890 19.032 -7.810 1.00 0.00 N ATOM 0 H ARG A 36 3.802 12.589 -8.563 1.00 0.00 H new ATOM 0 HA ARG A 36 3.158 14.989 -10.088 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.112 15.005 -8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.740 13.549 -9.376 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.319 14.667 -11.378 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.261 16.023 -11.041 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.562 15.402 -9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.855 16.266 -10.676 1.00 0.00 H new ATOM 0 HE ARG A 36 5.785 17.706 -9.602 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.852 16.528 -8.309 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.020 17.870 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.009 19.427 -8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.418 19.504 -7.076 1.00 0.00 H new ATOM 563 N ARG A 37 4.428 12.270 -11.495 1.00 0.00 N ATOM 564 CA ARG A 37 4.550 11.558 -12.761 1.00 0.00 C ATOM 565 C ARG A 37 3.177 11.309 -13.379 1.00 0.00 C ATOM 566 O ARG A 37 3.068 10.932 -14.546 1.00 0.00 O ATOM 567 CB ARG A 37 5.276 10.227 -12.555 1.00 0.00 C ATOM 568 CG ARG A 37 4.613 9.325 -11.526 1.00 0.00 C ATOM 569 CD ARG A 37 5.278 7.959 -11.473 1.00 0.00 C ATOM 570 NE ARG A 37 6.651 8.036 -10.982 1.00 0.00 N ATOM 571 CZ ARG A 37 7.311 7.000 -10.476 1.00 0.00 C ATOM 572 NH1 ARG A 37 6.726 5.813 -10.396 1.00 0.00 N ATOM 573 NH2 ARG A 37 8.558 7.150 -10.050 1.00 0.00 N ATOM 0 H ARG A 37 4.843 11.787 -10.698 1.00 0.00 H new ATOM 0 HA ARG A 37 5.130 12.179 -13.443 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.328 9.700 -13.508 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.302 10.426 -12.244 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.663 9.794 -10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.557 9.208 -11.770 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.699 7.299 -10.827 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.274 7.515 -12.469 1.00 0.00 H new ATOM 0 HE ARG A 37 7.130 8.935 -11.030 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.767 5.694 -10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.235 5.019 -10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.011 8.062 -10.111 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.064 6.354 -9.662 1.00 0.00 H new ATOM 587 N LYS A 38 2.130 11.523 -12.589 1.00 0.00 N ATOM 588 CA LYS A 38 0.764 11.324 -13.057 1.00 0.00 C ATOM 589 C LYS A 38 0.449 9.839 -13.201 1.00 0.00 C ATOM 590 O LYS A 38 0.007 9.386 -14.258 1.00 0.00 O ATOM 591 CB LYS A 38 0.553 12.033 -14.397 1.00 0.00 C ATOM 592 CG LYS A 38 -0.889 12.436 -14.651 1.00 0.00 C ATOM 593 CD LYS A 38 -1.074 12.985 -16.056 1.00 0.00 C ATOM 594 CE LYS A 38 -0.490 14.383 -16.190 1.00 0.00 C ATOM 595 NZ LYS A 38 -0.944 15.057 -17.438 1.00 0.00 N ATOM 0 H LYS A 38 2.202 11.835 -11.620 1.00 0.00 H new ATOM 0 HA LYS A 38 0.088 11.751 -12.317 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.182 12.923 -14.431 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.885 11.377 -15.202 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.540 11.573 -14.508 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.192 13.188 -13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.595 12.319 -16.774 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.136 13.008 -16.302 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.781 14.982 -15.327 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.598 14.324 -16.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.524 16.007 -17.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.644 14.499 -18.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.981 15.137 -17.432 1.00 0.00 H new ATOM 609 N THR A 39 0.679 9.083 -12.131 1.00 0.00 N ATOM 610 CA THR A 39 0.419 7.649 -12.139 1.00 0.00 C ATOM 611 C THR A 39 -0.229 7.201 -10.834 1.00 0.00 C ATOM 612 O THR A 39 0.228 7.532 -9.740 1.00 0.00 O ATOM 613 CB THR A 39 1.715 6.845 -12.358 1.00 0.00 C ATOM 614 OG1 THR A 39 2.276 7.161 -13.637 1.00 0.00 O ATOM 615 CG2 THR A 39 1.445 5.350 -12.272 1.00 0.00 C ATOM 0 H THR A 39 1.045 9.441 -11.248 1.00 0.00 H new ATOM 0 HA THR A 39 -0.264 7.456 -12.966 1.00 0.00 H new ATOM 0 HB THR A 39 2.422 7.116 -11.574 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.100 6.648 -13.769 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.374 4.803 -12.430 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.044 5.109 -11.287 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.722 5.066 -13.037 1.00 0.00 H new ATOM 623 N PRO A 40 -1.319 6.428 -10.948 1.00 0.00 N ATOM 624 CA PRO A 40 -2.052 5.916 -9.786 1.00 0.00 C ATOM 625 C PRO A 40 -1.263 4.859 -9.022 1.00 0.00 C ATOM 626 O PRO A 40 -1.309 3.675 -9.355 1.00 0.00 O ATOM 627 CB PRO A 40 -3.310 5.301 -10.404 1.00 0.00 C ATOM 628 CG PRO A 40 -2.916 4.950 -11.797 1.00 0.00 C ATOM 629 CD PRO A 40 -1.919 5.993 -12.221 1.00 0.00 C ATOM 0 HA PRO A 40 -2.257 6.699 -9.056 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.633 4.419 -9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.141 6.006 -10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.479 3.952 -11.839 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.782 4.947 -12.458 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.171 5.582 -12.898 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.400 6.821 -12.742 1.00 0.00 H new ATOM 637 N MET A 41 -0.539 5.294 -7.996 1.00 0.00 N ATOM 638 CA MET A 41 0.260 4.383 -7.184 1.00 0.00 C ATOM 639 C MET A 41 -0.231 4.372 -5.739 1.00 0.00 C ATOM 640 O MET A 41 -0.509 5.421 -5.159 1.00 0.00 O ATOM 641 CB MET A 41 1.735 4.785 -7.231 1.00 0.00 C ATOM 642 CG MET A 41 2.458 4.300 -8.477 1.00 0.00 C ATOM 643 SD MET A 41 4.179 4.832 -8.533 1.00 0.00 S ATOM 644 CE MET A 41 5.018 3.313 -8.086 1.00 0.00 C ATOM 0 H MET A 41 -0.489 6.271 -7.707 1.00 0.00 H new ATOM 0 HA MET A 41 0.152 3.379 -7.594 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.809 5.871 -7.178 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.240 4.388 -6.350 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.417 3.211 -8.516 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.939 4.670 -9.361 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.406 3.397 -7.071 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.316 2.481 -8.139 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.843 3.136 -8.776 1.00 0.00 H new ATOM 654 N CYS A 42 -0.334 3.178 -5.164 1.00 0.00 N ATOM 655 CA CYS A 42 -0.791 3.030 -3.788 1.00 0.00 C ATOM 656 C CYS A 42 0.270 3.518 -2.806 1.00 0.00 C ATOM 657 O CYS A 42 1.462 3.517 -3.114 1.00 0.00 O ATOM 658 CB CYS A 42 -1.135 1.567 -3.498 1.00 0.00 C ATOM 659 SG CYS A 42 0.299 0.444 -3.535 1.00 0.00 S ATOM 0 H CYS A 42 -0.107 2.299 -5.630 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.686 3.640 -3.661 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.607 1.504 -2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.869 1.226 -4.228 1.00 0.00 H new ATOM 664 N GLU A 43 -0.172 3.934 -1.624 1.00 0.00 N ATOM 665 CA GLU A 43 0.740 4.425 -0.597 1.00 0.00 C ATOM 666 C GLU A 43 2.022 3.597 -0.567 1.00 0.00 C ATOM 667 O GLU A 43 3.125 4.141 -0.507 1.00 0.00 O ATOM 668 CB GLU A 43 0.065 4.391 0.775 1.00 0.00 C ATOM 669 CG GLU A 43 -1.063 5.397 0.924 1.00 0.00 C ATOM 670 CD GLU A 43 -1.287 5.813 2.365 1.00 0.00 C ATOM 671 OE1 GLU A 43 -0.364 5.628 3.186 1.00 0.00 O ATOM 672 OE2 GLU A 43 -2.385 6.323 2.672 1.00 0.00 O ATOM 0 H GLU A 43 -1.155 3.941 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 43 0.999 5.455 -0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.327 3.390 0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.814 4.581 1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.839 6.280 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.983 4.968 0.527 1.00 0.00 H new ATOM 679 N LYS A 44 1.868 2.278 -0.608 1.00 0.00 N ATOM 680 CA LYS A 44 3.011 1.373 -0.586 1.00 0.00 C ATOM 681 C LYS A 44 3.990 1.705 -1.708 1.00 0.00 C ATOM 682 O LYS A 44 5.118 2.129 -1.456 1.00 0.00 O ATOM 683 CB LYS A 44 2.542 -0.078 -0.718 1.00 0.00 C ATOM 684 CG LYS A 44 3.680 -1.082 -0.780 1.00 0.00 C ATOM 685 CD LYS A 44 3.170 -2.485 -1.063 1.00 0.00 C ATOM 686 CE LYS A 44 3.046 -2.742 -2.557 1.00 0.00 C ATOM 687 NZ LYS A 44 2.749 -4.171 -2.852 1.00 0.00 N ATOM 0 H LYS A 44 0.962 1.812 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 44 3.523 1.498 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.899 -0.322 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.934 -0.174 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.385 -0.787 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.224 -1.075 0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.848 -3.216 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.199 -2.623 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.256 -2.114 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.973 -2.454 -3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.672 -4.304 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.515 -4.768 -2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.852 -4.440 -2.400 1.00 0.00 H new ATOM 701 N CYS A 45 3.551 1.512 -2.947 1.00 0.00 N ATOM 702 CA CYS A 45 4.387 1.792 -4.108 1.00 0.00 C ATOM 703 C CYS A 45 4.956 3.207 -4.040 1.00 0.00 C ATOM 704 O CYS A 45 6.158 3.412 -4.206 1.00 0.00 O ATOM 705 CB CYS A 45 3.582 1.616 -5.397 1.00 0.00 C ATOM 706 SG CYS A 45 3.071 -0.102 -5.726 1.00 0.00 S ATOM 0 H CYS A 45 2.620 1.162 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 45 5.216 1.085 -4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.693 2.245 -5.346 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.178 1.974 -6.237 1.00 0.00 H new ATOM 711 N ARG A 46 4.083 4.178 -3.794 1.00 0.00 N ATOM 712 CA ARG A 46 4.497 5.573 -3.705 1.00 0.00 C ATOM 713 C ARG A 46 5.846 5.696 -3.001 1.00 0.00 C ATOM 714 O ARG A 46 6.803 6.233 -3.559 1.00 0.00 O ATOM 715 CB ARG A 46 3.444 6.394 -2.959 1.00 0.00 C ATOM 716 CG ARG A 46 2.219 6.720 -3.797 1.00 0.00 C ATOM 717 CD ARG A 46 1.604 8.050 -3.392 1.00 0.00 C ATOM 718 NE ARG A 46 1.070 8.014 -2.033 1.00 0.00 N ATOM 719 CZ ARG A 46 0.908 9.096 -1.278 1.00 0.00 C ATOM 720 NH1 ARG A 46 1.236 10.291 -1.748 1.00 0.00 N ATOM 721 NH2 ARG A 46 0.416 8.982 -0.051 1.00 0.00 N ATOM 0 H ARG A 46 3.085 4.024 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 46 4.598 5.961 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.130 5.846 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.897 7.324 -2.616 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.496 6.752 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.479 5.927 -3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.357 8.835 -3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.806 8.308 -4.088 1.00 0.00 H new ATOM 0 HE ARG A 46 0.807 7.109 -1.642 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.614 10.382 -2.691 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.111 11.120 -1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.162 8.064 0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.292 9.813 0.528 1.00 0.00 H new ATOM 735 N LYS A 47 5.914 5.195 -1.773 1.00 0.00 N ATOM 736 CA LYS A 47 7.144 5.246 -0.992 1.00 0.00 C ATOM 737 C LYS A 47 7.913 3.934 -1.100 1.00 0.00 C ATOM 738 O LYS A 47 7.926 3.132 -0.166 1.00 0.00 O ATOM 739 CB LYS A 47 6.828 5.545 0.476 1.00 0.00 C ATOM 740 CG LYS A 47 5.936 4.504 1.130 1.00 0.00 C ATOM 741 CD LYS A 47 5.201 5.075 2.331 1.00 0.00 C ATOM 742 CE LYS A 47 4.138 4.115 2.842 1.00 0.00 C ATOM 743 NZ LYS A 47 3.098 4.815 3.646 1.00 0.00 N ATOM 0 H LYS A 47 5.131 4.748 -1.296 1.00 0.00 H new ATOM 0 HA LYS A 47 7.767 6.045 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.762 5.613 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.345 6.520 0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.214 4.134 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.539 3.652 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.914 5.288 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.736 6.022 2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.667 3.612 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.609 3.343 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.392 4.126 3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.544 5.274 4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.631 5.535 3.058 1.00 0.00 H new ATOM 757 N ASP A 48 8.553 3.721 -2.245 1.00 0.00 N ATOM 758 CA ASP A 48 9.327 2.507 -2.474 1.00 0.00 C ATOM 759 C ASP A 48 10.585 2.809 -3.282 1.00 0.00 C ATOM 760 O ASP A 48 10.566 3.636 -4.193 1.00 0.00 O ATOM 761 CB ASP A 48 8.476 1.464 -3.202 1.00 0.00 C ATOM 762 CG ASP A 48 7.640 0.633 -2.249 1.00 0.00 C ATOM 763 OD1 ASP A 48 7.940 0.639 -1.037 1.00 0.00 O ATOM 764 OD2 ASP A 48 6.686 -0.025 -2.716 1.00 0.00 O ATOM 0 H ASP A 48 8.551 4.374 -3.029 1.00 0.00 H new ATOM 0 HA ASP A 48 9.627 2.108 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.820 1.966 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.127 0.806 -3.778 1.00 0.00 H new ATOM 769 N SER A 49 11.678 2.133 -2.942 1.00 0.00 N ATOM 770 CA SER A 49 12.946 2.332 -3.632 1.00 0.00 C ATOM 771 C SER A 49 13.186 1.228 -4.658 1.00 0.00 C ATOM 772 O SER A 49 13.837 0.224 -4.365 1.00 0.00 O ATOM 773 CB SER A 49 14.099 2.368 -2.626 1.00 0.00 C ATOM 774 OG SER A 49 14.182 1.153 -1.902 1.00 0.00 O ATOM 0 H SER A 49 11.710 1.442 -2.192 1.00 0.00 H new ATOM 0 HA SER A 49 12.900 3.287 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.038 2.547 -3.150 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.956 3.198 -1.934 1.00 0.00 H new ATOM 0 HG SER A 49 14.071 0.398 -2.517 1.00 0.00 H new ATOM 780 N CYS A 50 12.656 1.422 -5.860 1.00 0.00 N ATOM 781 CA CYS A 50 12.811 0.443 -6.930 1.00 0.00 C ATOM 782 C CYS A 50 12.871 1.130 -8.291 1.00 0.00 C ATOM 783 O CYS A 50 11.938 1.828 -8.685 1.00 0.00 O ATOM 784 CB CYS A 50 11.657 -0.561 -6.903 1.00 0.00 C ATOM 785 SG CYS A 50 11.963 -2.063 -7.861 1.00 0.00 S ATOM 0 H CYS A 50 12.115 2.248 -6.118 1.00 0.00 H new ATOM 0 HA CYS A 50 13.749 -0.088 -6.769 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.455 -0.838 -5.868 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.759 -0.076 -7.285 1.00 0.00 H new ATOM 0 HG CYS A 50 10.932 -2.850 -7.775 1.00 0.00 H new ATOM 791 N GLN A 51 13.976 0.927 -9.002 1.00 0.00 N ATOM 792 CA GLN A 51 14.158 1.530 -10.317 1.00 0.00 C ATOM 793 C GLN A 51 13.517 2.912 -10.376 1.00 0.00 C ATOM 794 O GLN A 51 12.869 3.264 -11.362 1.00 0.00 O ATOM 795 CB GLN A 51 13.561 0.630 -11.400 1.00 0.00 C ATOM 796 CG GLN A 51 14.476 -0.510 -11.818 1.00 0.00 C ATOM 797 CD GLN A 51 14.219 -0.973 -13.238 1.00 0.00 C ATOM 798 OE1 GLN A 51 13.924 -0.169 -14.123 1.00 0.00 O ATOM 799 NE2 GLN A 51 14.332 -2.277 -13.465 1.00 0.00 N ATOM 0 H GLN A 51 14.757 0.350 -8.690 1.00 0.00 H new ATOM 0 HA GLN A 51 15.228 1.639 -10.494 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.620 0.215 -11.038 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.326 1.236 -12.275 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.514 -0.190 -11.726 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.340 -1.349 -11.136 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.578 -2.908 -12.702 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.172 -2.647 -14.402 1.00 0.00 H new ATOM 808 N GLU A 52 13.702 3.691 -9.315 1.00 0.00 N ATOM 809 CA GLU A 52 13.140 5.035 -9.247 1.00 0.00 C ATOM 810 C GLU A 52 14.245 6.087 -9.229 1.00 0.00 C ATOM 811 O GLU A 52 15.275 5.908 -8.579 1.00 0.00 O ATOM 812 CB GLU A 52 12.260 5.181 -8.004 1.00 0.00 C ATOM 813 CG GLU A 52 11.207 6.270 -8.129 1.00 0.00 C ATOM 814 CD GLU A 52 9.983 5.998 -7.275 1.00 0.00 C ATOM 815 OE1 GLU A 52 10.154 5.682 -6.079 1.00 0.00 O ATOM 816 OE2 GLU A 52 8.856 6.101 -7.802 1.00 0.00 O ATOM 0 H GLU A 52 14.236 3.415 -8.491 1.00 0.00 H new ATOM 0 HA GLU A 52 12.529 5.191 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.766 4.230 -7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.894 5.397 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.642 7.226 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.905 6.360 -9.172 1.00 0.00 H new ATOM 823 N ALA A 53 14.023 7.183 -9.947 1.00 0.00 N ATOM 824 CA ALA A 53 14.998 8.264 -10.012 1.00 0.00 C ATOM 825 C ALA A 53 14.446 9.455 -10.787 1.00 0.00 C ATOM 826 O ALA A 53 13.482 9.324 -11.542 1.00 0.00 O ATOM 827 CB ALA A 53 16.290 7.772 -10.647 1.00 0.00 C ATOM 0 H ALA A 53 13.176 7.345 -10.492 1.00 0.00 H new ATOM 0 HA ALA A 53 15.208 8.592 -8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.009 8.590 -10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.701 6.957 -10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 53 16.086 7.416 -11.657 1.00 0.00 H new ATOM 833 N ALA A 54 15.061 10.617 -10.595 1.00 0.00 N ATOM 834 CA ALA A 54 14.632 11.831 -11.278 1.00 0.00 C ATOM 835 C ALA A 54 15.439 12.061 -12.551 1.00 0.00 C ATOM 836 O ALA A 54 16.328 12.913 -12.590 1.00 0.00 O ATOM 837 CB ALA A 54 14.755 13.031 -10.349 1.00 0.00 C ATOM 0 H ALA A 54 15.858 10.743 -9.972 1.00 0.00 H new ATOM 0 HA ALA A 54 13.586 11.708 -11.560 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.431 13.931 -10.872 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.128 12.877 -9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.793 13.146 -10.038 1.00 0.00 H new ATOM 843 N LEU A 55 15.126 11.296 -13.590 1.00 0.00 N ATOM 844 CA LEU A 55 15.823 11.415 -14.866 1.00 0.00 C ATOM 845 C LEU A 55 15.613 12.797 -15.475 1.00 0.00 C ATOM 846 O LEU A 55 16.445 13.283 -16.239 1.00 0.00 O ATOM 847 CB LEU A 55 15.338 10.338 -15.838 1.00 0.00 C ATOM 848 CG LEU A 55 13.823 10.227 -16.014 1.00 0.00 C ATOM 849 CD1 LEU A 55 13.351 11.120 -17.150 1.00 0.00 C ATOM 850 CD2 LEU A 55 13.420 8.781 -16.267 1.00 0.00 C ATOM 0 H LEU A 55 14.394 10.586 -13.574 1.00 0.00 H new ATOM 0 HA LEU A 55 16.889 11.277 -14.683 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.784 10.530 -16.814 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.716 9.374 -15.499 1.00 0.00 H new ATOM 0 HG LEU A 55 13.344 10.561 -15.094 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.271 11.028 -17.260 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.606 12.156 -16.928 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.838 10.817 -18.077 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.339 8.721 -16.390 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.909 8.420 -17.172 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.724 8.165 -15.420 1.00 0.00 H new ATOM 862 N ASN A 56 14.494 13.427 -15.128 1.00 0.00 N ATOM 863 CA ASN A 56 14.175 14.755 -15.639 1.00 0.00 C ATOM 864 C ASN A 56 13.400 15.564 -14.604 1.00 0.00 C ATOM 865 O ASN A 56 12.673 15.007 -13.781 1.00 0.00 O ATOM 866 CB ASN A 56 13.361 14.645 -16.930 1.00 0.00 C ATOM 867 CG ASN A 56 14.240 14.511 -18.159 1.00 0.00 C ATOM 868 OD1 ASN A 56 14.413 13.416 -18.695 1.00 0.00 O ATOM 869 ND2 ASN A 56 14.801 15.627 -18.609 1.00 0.00 N ATOM 0 H ASN A 56 13.794 13.039 -14.496 1.00 0.00 H new ATOM 0 HA ASN A 56 15.112 15.271 -15.850 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.698 13.783 -16.865 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.728 15.527 -17.034 1.00 0.00 H new ATOM 0 HD21 ASN A 56 15.404 15.599 -19.431 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.629 16.512 -18.132 1.00 0.00 H new ATOM 876 N LYS A 57 13.561 16.882 -14.651 1.00 0.00 N ATOM 877 CA LYS A 57 12.876 17.771 -13.719 1.00 0.00 C ATOM 878 C LYS A 57 13.405 17.584 -12.301 1.00 0.00 C ATOM 879 O LYS A 57 12.638 17.572 -11.338 1.00 0.00 O ATOM 880 CB LYS A 57 11.368 17.511 -13.750 1.00 0.00 C ATOM 881 CG LYS A 57 10.536 18.706 -13.316 1.00 0.00 C ATOM 882 CD LYS A 57 9.075 18.332 -13.136 1.00 0.00 C ATOM 883 CE LYS A 57 8.163 19.533 -13.339 1.00 0.00 C ATOM 884 NZ LYS A 57 6.812 19.129 -13.818 1.00 0.00 N ATOM 0 H LYS A 57 14.160 17.359 -15.325 1.00 0.00 H new ATOM 0 HA LYS A 57 13.068 18.799 -14.027 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.078 17.225 -14.761 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.140 16.665 -13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.929 19.103 -12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.621 19.499 -14.059 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.809 17.548 -13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.923 17.923 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.067 20.079 -12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.615 20.215 -14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.221 19.975 -13.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.901 18.630 -14.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.370 18.499 -13.119 1.00 0.00 H new ATOM 898 N ASP A 58 14.720 17.440 -12.179 1.00 0.00 N ATOM 899 CA ASP A 58 15.352 17.257 -10.878 1.00 0.00 C ATOM 900 C ASP A 58 15.901 18.579 -10.349 1.00 0.00 C ATOM 901 O ASP A 58 16.837 19.143 -10.915 1.00 0.00 O ATOM 902 CB ASP A 58 16.478 16.226 -10.974 1.00 0.00 C ATOM 903 CG ASP A 58 16.908 15.710 -9.615 1.00 0.00 C ATOM 904 OD1 ASP A 58 16.074 15.719 -8.685 1.00 0.00 O ATOM 905 OD2 ASP A 58 18.079 15.297 -9.482 1.00 0.00 O ATOM 0 H ASP A 58 15.369 17.446 -12.966 1.00 0.00 H new ATOM 0 HA ASP A 58 14.595 16.894 -10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.149 15.389 -11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.335 16.674 -11.477 1.00 0.00 H new ATOM 910 N GLU A 59 15.310 19.067 -9.263 1.00 0.00 N ATOM 911 CA GLU A 59 15.740 20.323 -8.660 1.00 0.00 C ATOM 912 C GLU A 59 16.566 20.069 -7.403 1.00 0.00 C ATOM 913 O GLU A 59 16.428 19.033 -6.754 1.00 0.00 O ATOM 914 CB GLU A 59 14.527 21.191 -8.319 1.00 0.00 C ATOM 915 CG GLU A 59 13.808 21.739 -9.540 1.00 0.00 C ATOM 916 CD GLU A 59 12.728 20.804 -10.050 1.00 0.00 C ATOM 917 OE1 GLU A 59 12.809 19.592 -9.763 1.00 0.00 O ATOM 918 OE2 GLU A 59 11.802 21.286 -10.735 1.00 0.00 O ATOM 0 H GLU A 59 14.533 18.612 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 59 16.364 20.849 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.825 20.603 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.851 22.024 -7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.362 22.702 -9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.533 21.918 -10.334 1.00 0.00 H new ATOM 925 N GLY A 60 17.428 21.024 -7.065 1.00 0.00 N ATOM 926 CA GLY A 60 18.266 20.885 -5.888 1.00 0.00 C ATOM 927 C GLY A 60 17.701 21.615 -4.686 1.00 0.00 C ATOM 928 O GLY A 60 18.435 22.272 -3.949 1.00 0.00 O ATOM 0 H GLY A 60 17.561 21.891 -7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 60 18.378 19.828 -5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 60 19.262 21.269 -6.107 1.00 0.00 H new ATOM 932 N ASN A 61 16.392 21.501 -4.487 1.00 0.00 N ATOM 933 CA ASN A 61 15.728 22.157 -3.367 1.00 0.00 C ATOM 934 C ASN A 61 14.294 21.659 -3.216 1.00 0.00 C ATOM 935 O ASN A 61 13.533 21.630 -4.182 1.00 0.00 O ATOM 936 CB ASN A 61 15.735 23.675 -3.561 1.00 0.00 C ATOM 937 CG ASN A 61 15.037 24.405 -2.430 1.00 0.00 C ATOM 938 OD1 ASN A 61 13.865 24.767 -2.541 1.00 0.00 O ATOM 939 ND2 ASN A 61 15.755 24.626 -1.335 1.00 0.00 N ATOM 0 H ASN A 61 15.770 20.960 -5.087 1.00 0.00 H new ATOM 0 HA ASN A 61 16.276 21.911 -2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 61 16.765 24.024 -3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 61 15.247 23.920 -4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 61 15.338 25.114 -0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 61 16.723 24.308 -1.287 1.00 0.00 H new ATOM 946 N GLU A 62 13.933 21.270 -1.997 1.00 0.00 N ATOM 947 CA GLU A 62 12.590 20.773 -1.721 1.00 0.00 C ATOM 948 C GLU A 62 11.715 21.872 -1.126 1.00 0.00 C ATOM 949 O GLU A 62 11.729 22.105 0.082 1.00 0.00 O ATOM 950 CB GLU A 62 12.650 19.580 -0.765 1.00 0.00 C ATOM 951 CG GLU A 62 13.040 18.277 -1.441 1.00 0.00 C ATOM 952 CD GLU A 62 12.351 18.084 -2.778 1.00 0.00 C ATOM 953 OE1 GLU A 62 11.230 17.534 -2.794 1.00 0.00 O ATOM 954 OE2 GLU A 62 12.933 18.483 -3.808 1.00 0.00 O ATOM 0 H GLU A 62 14.551 21.289 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 62 12.148 20.452 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.366 19.796 0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.677 19.456 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.120 18.257 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.791 17.443 -0.785 1.00 0.00 H new ATOM 961 N SER A 63 10.956 22.546 -1.985 1.00 0.00 N ATOM 962 CA SER A 63 10.077 23.624 -1.546 1.00 0.00 C ATOM 963 C SER A 63 8.883 23.071 -0.773 1.00 0.00 C ATOM 964 O SER A 63 7.779 22.966 -1.307 1.00 0.00 O ATOM 965 CB SER A 63 9.590 24.435 -2.748 1.00 0.00 C ATOM 966 OG SER A 63 8.945 25.626 -2.332 1.00 0.00 O ATOM 0 H SER A 63 10.932 22.365 -2.988 1.00 0.00 H new ATOM 0 HA SER A 63 10.646 24.276 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.435 24.681 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.902 23.833 -3.342 1.00 0.00 H new ATOM 0 HG SER A 63 8.644 26.127 -3.119 1.00 0.00 H new ATOM 972 N GLY A 64 9.113 22.719 0.488 1.00 0.00 N ATOM 973 CA GLY A 64 8.048 22.181 1.314 1.00 0.00 C ATOM 974 C GLY A 64 8.358 20.788 1.825 1.00 0.00 C ATOM 975 O GLY A 64 8.753 19.910 1.057 1.00 0.00 O ATOM 0 H GLY A 64 10.018 22.797 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.878 22.846 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.123 22.156 0.738 1.00 0.00 H new ATOM 979 N LYS A 65 8.181 20.584 3.126 1.00 0.00 N ATOM 980 CA LYS A 65 8.444 19.288 3.740 1.00 0.00 C ATOM 981 C LYS A 65 7.299 18.317 3.475 1.00 0.00 C ATOM 982 O LYS A 65 6.765 17.701 4.398 1.00 0.00 O ATOM 983 CB LYS A 65 8.652 19.448 5.248 1.00 0.00 C ATOM 984 CG LYS A 65 9.832 20.334 5.609 1.00 0.00 C ATOM 985 CD LYS A 65 10.251 20.142 7.057 1.00 0.00 C ATOM 986 CE LYS A 65 11.547 20.876 7.364 1.00 0.00 C ATOM 987 NZ LYS A 65 12.743 20.060 7.017 1.00 0.00 N ATOM 0 H LYS A 65 7.856 21.300 3.776 1.00 0.00 H new ATOM 0 HA LYS A 65 9.352 18.881 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.747 19.866 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.798 18.464 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.672 20.107 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.569 21.378 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.462 20.504 7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.376 19.079 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.574 21.813 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.577 21.132 8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.606 20.596 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.732 19.177 7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.728 19.837 6.001 1.00 0.00 H new ATOM 1001 N LYS A 66 6.925 18.182 2.207 1.00 0.00 N ATOM 1002 CA LYS A 66 5.845 17.284 1.818 1.00 0.00 C ATOM 1003 C LYS A 66 6.394 16.038 1.131 1.00 0.00 C ATOM 1004 O LYS A 66 6.081 15.766 -0.029 1.00 0.00 O ATOM 1005 CB LYS A 66 4.866 18.003 0.887 1.00 0.00 C ATOM 1006 CG LYS A 66 3.567 17.246 0.668 1.00 0.00 C ATOM 1007 CD LYS A 66 2.517 17.631 1.696 1.00 0.00 C ATOM 1008 CE LYS A 66 2.594 16.744 2.930 1.00 0.00 C ATOM 1009 NZ LYS A 66 1.271 16.613 3.602 1.00 0.00 N ATOM 0 H LYS A 66 7.355 18.684 1.430 1.00 0.00 H new ATOM 0 HA LYS A 66 5.319 16.977 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.639 18.985 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.348 18.167 -0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.189 17.452 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.756 16.174 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.655 18.673 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.525 17.553 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.956 15.756 2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.318 17.159 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.365 16.001 4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.937 17.553 3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.586 16.193 2.941 1.00 0.00 H new ATOM 1023 N THR A 67 7.214 15.281 1.854 1.00 0.00 N ATOM 1024 CA THR A 67 7.806 14.064 1.314 1.00 0.00 C ATOM 1025 C THR A 67 8.530 13.276 2.400 1.00 0.00 C ATOM 1026 O THR A 67 9.017 13.848 3.375 1.00 0.00 O ATOM 1027 CB THR A 67 8.796 14.377 0.176 1.00 0.00 C ATOM 1028 OG1 THR A 67 9.188 13.166 -0.480 1.00 0.00 O ATOM 1029 CG2 THR A 67 10.028 15.091 0.712 1.00 0.00 C ATOM 0 H THR A 67 7.483 15.490 2.815 1.00 0.00 H new ATOM 0 HA THR A 67 6.987 13.464 0.918 1.00 0.00 H new ATOM 0 HB THR A 67 8.298 15.032 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.816 13.374 -1.203 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.713 15.302 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.729 16.027 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.526 14.457 1.446 1.00 0.00 H new ATOM 1037 N SER A 68 8.599 11.961 2.224 1.00 0.00 N ATOM 1038 CA SER A 68 9.262 11.094 3.191 1.00 0.00 C ATOM 1039 C SER A 68 10.729 11.479 3.350 1.00 0.00 C ATOM 1040 O SER A 68 11.208 11.701 4.461 1.00 0.00 O ATOM 1041 CB SER A 68 9.151 9.631 2.757 1.00 0.00 C ATOM 1042 OG SER A 68 7.916 9.069 3.167 1.00 0.00 O ATOM 0 H SER A 68 8.204 11.472 1.421 1.00 0.00 H new ATOM 0 HA SER A 68 8.765 11.219 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.243 9.562 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.974 9.058 3.184 1.00 0.00 H new ATOM 0 HG SER A 68 7.869 8.134 2.876 1.00 0.00 H new ATOM 1048 N GLY A 69 11.439 11.556 2.228 1.00 0.00 N ATOM 1049 CA GLY A 69 12.845 11.914 2.263 1.00 0.00 C ATOM 1050 C GLY A 69 13.422 12.133 0.878 1.00 0.00 C ATOM 1051 O GLY A 69 13.409 11.241 0.029 1.00 0.00 O ATOM 0 H GLY A 69 11.065 11.377 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.971 12.821 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.405 11.126 2.766 1.00 0.00 H new ATOM 1055 N PRO A 70 13.942 13.345 0.634 1.00 0.00 N ATOM 1056 CA PRO A 70 14.535 13.706 -0.657 1.00 0.00 C ATOM 1057 C PRO A 70 15.852 12.982 -0.913 1.00 0.00 C ATOM 1058 O PRO A 70 16.451 13.122 -1.979 1.00 0.00 O ATOM 1059 CB PRO A 70 14.770 15.214 -0.529 1.00 0.00 C ATOM 1060 CG PRO A 70 14.897 15.455 0.935 1.00 0.00 C ATOM 1061 CD PRO A 70 13.992 14.456 1.600 1.00 0.00 C ATOM 0 HA PRO A 70 13.892 13.430 -1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.671 15.521 -1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.941 15.781 -0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.928 15.326 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.606 16.474 1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 70 14.388 14.134 2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.002 14.872 1.786 1.00 0.00 H new ATOM 1069 N SER A 71 16.297 12.207 0.071 1.00 0.00 N ATOM 1070 CA SER A 71 17.546 11.463 -0.047 1.00 0.00 C ATOM 1071 C SER A 71 17.765 10.995 -1.482 1.00 0.00 C ATOM 1072 O SER A 71 16.814 10.680 -2.196 1.00 0.00 O ATOM 1073 CB SER A 71 17.539 10.260 0.899 1.00 0.00 C ATOM 1074 OG SER A 71 17.592 10.676 2.253 1.00 0.00 O ATOM 0 H SER A 71 15.811 12.078 0.959 1.00 0.00 H new ATOM 0 HA SER A 71 18.364 12.128 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 71 16.639 9.667 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.390 9.616 0.680 1.00 0.00 H new ATOM 0 HG SER A 71 17.585 9.889 2.837 1.00 0.00 H new ATOM 1080 N SER A 72 19.027 10.952 -1.897 1.00 0.00 N ATOM 1081 CA SER A 72 19.374 10.526 -3.248 1.00 0.00 C ATOM 1082 C SER A 72 19.211 9.017 -3.401 1.00 0.00 C ATOM 1083 O SER A 72 18.813 8.327 -2.464 1.00 0.00 O ATOM 1084 CB SER A 72 20.810 10.932 -3.581 1.00 0.00 C ATOM 1085 OG SER A 72 21.736 10.274 -2.734 1.00 0.00 O ATOM 0 H SER A 72 19.826 11.207 -1.317 1.00 0.00 H new ATOM 0 HA SER A 72 18.695 11.019 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 72 21.028 10.689 -4.621 1.00 0.00 H new ATOM 0 HB3 SER A 72 20.920 12.011 -3.476 1.00 0.00 H new ATOM 0 HG SER A 72 22.647 10.549 -2.969 1.00 0.00 H new ATOM 1091 N GLY A 73 19.523 8.511 -4.590 1.00 0.00 N ATOM 1092 CA GLY A 73 19.405 7.088 -4.845 1.00 0.00 C ATOM 1093 C GLY A 73 20.604 6.530 -5.586 1.00 0.00 C ATOM 1094 O GLY A 73 21.692 6.481 -5.014 1.00 0.00 O ATOM 0 H GLY A 73 19.856 9.062 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 73 19.290 6.561 -3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.503 6.900 -5.427 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.776 -0.483 -5.617 1.00 0.00 ZN