USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 758 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.00317 (180deg=-0.163) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 162:sc= -0.723 (180deg=-0.836) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -82:sc= -0.0645 USER MOD Single : A 26 ASN : amide:sc= -0.768 K(o=-0.77,f=-12!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 94:sc= 1.46 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 35 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.91) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 64:sc= 0.439 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -107:sc= 0.00756 USER MOD Single : A 56 ASN : amide:sc= 0.0495 K(o=0.049,f=-1.3) USER MOD Single : A 58 MET CE :methyl -169:sc= -2.1! (180deg=-2.42) USER MOD Single : A 60 THR OG1 : rot -39:sc= 0.689 USER MOD Single : A 65 GLN : amide:sc=-0.00801 X(o=-0.008,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00063 USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= -0.0978 (180deg=-0.572) USER MOD Single : A 79 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.33) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -130:sc= -2.92! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 78:sc= 0.945 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -147:sc= 0.0267 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.243 8.775 -16.723 1.00 0.00 N ATOM 2 CA MET A 1 18.865 8.683 -16.252 1.00 0.00 C ATOM 3 C MET A 1 18.190 7.426 -16.792 1.00 0.00 C ATOM 4 O MET A 1 18.318 7.100 -17.970 1.00 0.00 O ATOM 5 CB MET A 1 18.075 9.923 -16.673 1.00 0.00 C ATOM 6 CG MET A 1 18.218 10.261 -18.149 1.00 0.00 C ATOM 7 SD MET A 1 16.832 11.230 -18.776 1.00 0.00 S ATOM 8 CE MET A 1 17.667 12.296 -19.948 1.00 0.00 C ATOM 0 H1 MET A 1 20.500 9.775 -16.851 1.00 0.00 H new ATOM 0 H2 MET A 1 20.879 8.341 -16.024 1.00 0.00 H new ATOM 0 H3 MET A 1 20.334 8.275 -17.630 1.00 0.00 H new ATOM 0 HA MET A 1 18.882 8.626 -15.164 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.021 9.767 -16.445 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.407 10.775 -16.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.144 10.816 -18.303 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.300 9.338 -18.723 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.940 12.957 -20.420 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.416 12.893 -19.427 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.154 11.688 -20.710 1.00 0.00 H new ATOM 18 N ALA A 2 17.469 6.727 -15.920 1.00 0.00 N ATOM 19 CA ALA A 2 16.772 5.507 -16.311 1.00 0.00 C ATOM 20 C ALA A 2 15.393 5.823 -16.880 1.00 0.00 C ATOM 21 O ALA A 2 15.002 6.987 -16.979 1.00 0.00 O ATOM 22 CB ALA A 2 16.652 4.565 -15.123 1.00 0.00 C ATOM 0 H ALA A 2 17.353 6.984 -14.940 1.00 0.00 H new ATOM 0 HA ALA A 2 17.355 5.017 -17.091 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.130 3.658 -15.429 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.647 4.306 -14.762 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.093 5.054 -14.326 1.00 0.00 H new ATOM 28 N ARG A 3 14.659 4.780 -17.255 1.00 0.00 N ATOM 29 CA ARG A 3 13.325 4.945 -17.816 1.00 0.00 C ATOM 30 C ARG A 3 12.447 3.739 -17.499 1.00 0.00 C ATOM 31 O ARG A 3 12.945 2.631 -17.304 1.00 0.00 O ATOM 32 CB ARG A 3 13.407 5.146 -19.331 1.00 0.00 C ATOM 33 CG ARG A 3 13.917 3.925 -20.080 1.00 0.00 C ATOM 34 CD ARG A 3 13.664 4.044 -21.574 1.00 0.00 C ATOM 35 NE ARG A 3 14.198 2.901 -22.312 1.00 0.00 N ATOM 36 CZ ARG A 3 14.027 2.725 -23.618 1.00 0.00 C ATOM 37 NH1 ARG A 3 13.343 3.612 -24.326 1.00 0.00 N ATOM 38 NH2 ARG A 3 14.544 1.659 -24.217 1.00 0.00 N ATOM 0 H ARG A 3 14.967 3.811 -17.180 1.00 0.00 H new ATOM 0 HA ARG A 3 12.875 5.828 -17.362 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.418 5.407 -19.709 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.062 5.991 -19.542 1.00 0.00 H new ATOM 0 HG2 ARG A 3 14.985 3.805 -19.899 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.427 3.030 -19.697 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.592 4.124 -21.755 1.00 0.00 H new ATOM 0 HD3 ARG A 3 14.119 4.961 -21.947 1.00 0.00 H new ATOM 0 HE ARG A 3 14.731 2.200 -21.797 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.946 4.433 -23.869 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.214 3.474 -25.328 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.072 0.975 -23.675 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.413 1.524 -25.219 1.00 0.00 H new ATOM 52 N GLY A 4 11.137 3.962 -17.448 1.00 0.00 N ATOM 53 CA GLY A 4 10.211 2.884 -17.153 1.00 0.00 C ATOM 54 C GLY A 4 8.827 3.140 -17.713 1.00 0.00 C ATOM 55 O GLY A 4 7.864 3.291 -16.962 1.00 0.00 O ATOM 0 H GLY A 4 10.701 4.870 -17.606 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.600 1.952 -17.565 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.144 2.752 -16.073 1.00 0.00 H new ATOM 59 N SER A 5 8.726 3.191 -19.038 1.00 0.00 N ATOM 60 CA SER A 5 7.449 3.436 -19.698 1.00 0.00 C ATOM 61 C SER A 5 6.495 2.263 -19.489 1.00 0.00 C ATOM 62 O SER A 5 6.470 1.320 -20.278 1.00 0.00 O ATOM 63 CB SER A 5 7.662 3.672 -21.195 1.00 0.00 C ATOM 64 OG SER A 5 8.324 4.903 -21.427 1.00 0.00 O ATOM 0 H SER A 5 9.513 3.066 -19.675 1.00 0.00 H new ATOM 0 HA SER A 5 7.005 4.327 -19.255 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.248 2.855 -21.616 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.700 3.670 -21.707 1.00 0.00 H new ATOM 0 HG SER A 5 8.450 5.030 -22.391 1.00 0.00 H new ATOM 70 N VAL A 6 5.710 2.332 -18.418 1.00 0.00 N ATOM 71 CA VAL A 6 4.753 1.278 -18.103 1.00 0.00 C ATOM 72 C VAL A 6 3.904 0.925 -19.319 1.00 0.00 C ATOM 73 O VAL A 6 3.170 1.766 -19.841 1.00 0.00 O ATOM 74 CB VAL A 6 3.825 1.690 -16.944 1.00 0.00 C ATOM 75 CG1 VAL A 6 4.518 1.484 -15.606 1.00 0.00 C ATOM 76 CG2 VAL A 6 3.382 3.136 -17.107 1.00 0.00 C ATOM 0 H VAL A 6 5.718 3.107 -17.754 1.00 0.00 H new ATOM 0 HA VAL A 6 5.332 0.405 -17.802 1.00 0.00 H new ATOM 0 HB VAL A 6 2.938 1.056 -16.968 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.847 1.780 -14.799 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.782 0.433 -15.491 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.422 2.091 -15.567 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.727 3.411 -16.280 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.257 3.786 -17.109 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.844 3.248 -18.049 1.00 0.00 H new ATOM 86 N SER A 7 4.008 -0.322 -19.764 1.00 0.00 N ATOM 87 CA SER A 7 3.251 -0.786 -20.922 1.00 0.00 C ATOM 88 C SER A 7 1.752 -0.608 -20.698 1.00 0.00 C ATOM 89 O SER A 7 1.316 -0.243 -19.606 1.00 0.00 O ATOM 90 CB SER A 7 3.565 -2.255 -21.207 1.00 0.00 C ATOM 91 OG SER A 7 4.939 -2.435 -21.503 1.00 0.00 O ATOM 0 H SER A 7 4.609 -1.030 -19.341 1.00 0.00 H new ATOM 0 HA SER A 7 3.546 -0.185 -21.783 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.293 -2.862 -20.344 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.961 -2.603 -22.045 1.00 0.00 H new ATOM 0 HG SER A 7 5.114 -3.383 -21.680 1.00 0.00 H new ATOM 97 N ASP A 8 0.970 -0.868 -21.739 1.00 0.00 N ATOM 98 CA ASP A 8 -0.480 -0.738 -21.659 1.00 0.00 C ATOM 99 C ASP A 8 -1.031 -1.526 -20.474 1.00 0.00 C ATOM 100 O ASP A 8 -1.808 -1.003 -19.675 1.00 0.00 O ATOM 101 CB ASP A 8 -1.131 -1.221 -22.955 1.00 0.00 C ATOM 102 CG ASP A 8 -1.013 -0.205 -24.075 1.00 0.00 C ATOM 103 OD1 ASP A 8 0.026 0.485 -24.145 1.00 0.00 O ATOM 104 OD2 ASP A 8 -1.960 -0.101 -24.882 1.00 0.00 O ATOM 0 H ASP A 8 1.316 -1.170 -22.650 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.717 0.316 -21.515 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.665 -2.156 -23.266 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.184 -1.435 -22.772 1.00 0.00 H new ATOM 109 N GLU A 9 -0.624 -2.788 -20.369 1.00 0.00 N ATOM 110 CA GLU A 9 -1.079 -3.648 -19.284 1.00 0.00 C ATOM 111 C GLU A 9 -0.668 -3.079 -17.929 1.00 0.00 C ATOM 112 O GLU A 9 -1.514 -2.802 -17.079 1.00 0.00 O ATOM 113 CB GLU A 9 -0.510 -5.059 -19.449 1.00 0.00 C ATOM 114 CG GLU A 9 -1.257 -5.901 -20.470 1.00 0.00 C ATOM 115 CD GLU A 9 -0.448 -7.089 -20.950 1.00 0.00 C ATOM 116 OE1 GLU A 9 -0.688 -8.209 -20.454 1.00 0.00 O ATOM 117 OE2 GLU A 9 0.425 -6.900 -21.823 1.00 0.00 O ATOM 0 H GLU A 9 0.019 -3.236 -21.022 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.167 -3.695 -19.325 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.536 -4.987 -19.745 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.534 -5.566 -18.485 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.190 -6.255 -20.031 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.523 -5.278 -21.324 1.00 0.00 H new ATOM 124 N GLU A 10 0.636 -2.907 -17.737 1.00 0.00 N ATOM 125 CA GLU A 10 1.159 -2.371 -16.485 1.00 0.00 C ATOM 126 C GLU A 10 0.453 -1.071 -16.112 1.00 0.00 C ATOM 127 O GLU A 10 -0.101 -0.943 -15.021 1.00 0.00 O ATOM 128 CB GLU A 10 2.666 -2.132 -16.596 1.00 0.00 C ATOM 129 CG GLU A 10 3.331 -1.809 -15.269 1.00 0.00 C ATOM 130 CD GLU A 10 3.972 -3.026 -14.626 1.00 0.00 C ATOM 131 OE1 GLU A 10 5.116 -3.358 -15.000 1.00 0.00 O ATOM 132 OE2 GLU A 10 3.329 -3.642 -13.752 1.00 0.00 O ATOM 0 H GLU A 10 1.349 -3.131 -18.431 1.00 0.00 H new ATOM 0 HA GLU A 10 0.972 -3.104 -15.700 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.135 -3.019 -17.021 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.845 -1.312 -17.291 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.090 -1.042 -15.424 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.590 -1.391 -14.588 1.00 0.00 H new ATOM 139 N MET A 11 0.479 -0.107 -17.027 1.00 0.00 N ATOM 140 CA MET A 11 -0.159 1.184 -16.796 1.00 0.00 C ATOM 141 C MET A 11 -1.597 1.002 -16.321 1.00 0.00 C ATOM 142 O MET A 11 -2.048 1.687 -15.402 1.00 0.00 O ATOM 143 CB MET A 11 -0.135 2.025 -18.074 1.00 0.00 C ATOM 144 CG MET A 11 -0.031 3.519 -17.816 1.00 0.00 C ATOM 145 SD MET A 11 -1.541 4.208 -17.108 1.00 0.00 S ATOM 146 CE MET A 11 -0.908 4.928 -15.596 1.00 0.00 C ATOM 0 H MET A 11 0.935 -0.196 -17.935 1.00 0.00 H new ATOM 0 HA MET A 11 0.400 1.703 -16.017 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.708 1.711 -18.690 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.040 1.826 -18.647 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.803 3.710 -17.140 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.193 4.031 -18.752 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.625 5.652 -15.210 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.751 4.142 -14.857 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.039 5.429 -15.800 1.00 0.00 H new ATOM 156 N MET A 12 -2.312 0.076 -16.951 1.00 0.00 N ATOM 157 CA MET A 12 -3.699 -0.195 -16.590 1.00 0.00 C ATOM 158 C MET A 12 -3.786 -0.828 -15.205 1.00 0.00 C ATOM 159 O MET A 12 -4.391 -0.265 -14.293 1.00 0.00 O ATOM 160 CB MET A 12 -4.347 -1.115 -17.626 1.00 0.00 C ATOM 161 CG MET A 12 -5.002 -0.369 -18.776 1.00 0.00 C ATOM 162 SD MET A 12 -6.258 -1.353 -19.616 1.00 0.00 S ATOM 163 CE MET A 12 -7.657 -0.234 -19.563 1.00 0.00 C ATOM 0 H MET A 12 -1.954 -0.499 -17.714 1.00 0.00 H new ATOM 0 HA MET A 12 -4.236 0.753 -16.571 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.589 -1.789 -18.026 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.096 -1.734 -17.132 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.456 0.547 -18.398 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.237 -0.073 -19.494 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.515 -0.701 -20.046 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.903 -0.008 -18.525 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.405 0.689 -20.086 1.00 0.00 H new ATOM 173 N GLU A 13 -3.179 -2.001 -15.055 1.00 0.00 N ATOM 174 CA GLU A 13 -3.190 -2.709 -13.781 1.00 0.00 C ATOM 175 C GLU A 13 -2.755 -1.790 -12.643 1.00 0.00 C ATOM 176 O GLU A 13 -3.216 -1.926 -11.509 1.00 0.00 O ATOM 177 CB GLU A 13 -2.271 -3.931 -13.843 1.00 0.00 C ATOM 178 CG GLU A 13 -2.999 -5.225 -14.167 1.00 0.00 C ATOM 179 CD GLU A 13 -3.646 -5.203 -15.538 1.00 0.00 C ATOM 180 OE1 GLU A 13 -4.653 -4.485 -15.707 1.00 0.00 O ATOM 181 OE2 GLU A 13 -3.146 -5.905 -16.441 1.00 0.00 O ATOM 0 H GLU A 13 -2.674 -2.481 -15.800 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.211 -3.040 -13.588 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.502 -3.759 -14.596 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.761 -4.041 -12.886 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.296 -6.056 -14.115 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.763 -5.406 -13.412 1.00 0.00 H new ATOM 188 N LEU A 14 -1.866 -0.854 -12.954 1.00 0.00 N ATOM 189 CA LEU A 14 -1.367 0.089 -11.959 1.00 0.00 C ATOM 190 C LEU A 14 -2.373 1.210 -11.719 1.00 0.00 C ATOM 191 O LEU A 14 -2.883 1.374 -10.611 1.00 0.00 O ATOM 192 CB LEU A 14 -0.028 0.675 -12.409 1.00 0.00 C ATOM 193 CG LEU A 14 1.190 -0.237 -12.261 1.00 0.00 C ATOM 194 CD1 LEU A 14 2.437 0.445 -12.801 1.00 0.00 C ATOM 195 CD2 LEU A 14 1.385 -0.634 -10.804 1.00 0.00 C ATOM 0 H LEU A 14 -1.475 -0.727 -13.888 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.223 -0.450 -11.023 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.115 0.964 -13.456 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.155 1.587 -11.841 1.00 0.00 H new ATOM 0 HG LEU A 14 1.015 -1.142 -12.843 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.293 -0.220 -12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.296 0.678 -13.857 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.617 1.366 -12.247 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.256 -1.283 -10.717 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.537 0.261 -10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.501 -1.164 -10.450 1.00 0.00 H new ATOM 207 N ARG A 15 -2.655 1.979 -12.766 1.00 0.00 N ATOM 208 CA ARG A 15 -3.600 3.084 -12.670 1.00 0.00 C ATOM 209 C ARG A 15 -4.909 2.626 -12.033 1.00 0.00 C ATOM 210 O ARG A 15 -5.528 3.364 -11.268 1.00 0.00 O ATOM 211 CB ARG A 15 -3.872 3.672 -14.056 1.00 0.00 C ATOM 212 CG ARG A 15 -4.967 2.944 -14.821 1.00 0.00 C ATOM 213 CD ARG A 15 -6.340 3.516 -14.508 1.00 0.00 C ATOM 214 NE ARG A 15 -7.281 3.312 -15.606 1.00 0.00 N ATOM 215 CZ ARG A 15 -8.456 3.925 -15.689 1.00 0.00 C ATOM 216 NH1 ARG A 15 -8.834 4.773 -14.742 1.00 0.00 N ATOM 217 NH2 ARG A 15 -9.258 3.689 -16.720 1.00 0.00 N ATOM 0 H ARG A 15 -2.242 1.857 -13.691 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.158 3.854 -12.037 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.150 4.720 -13.949 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.952 3.645 -14.640 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.776 3.019 -15.891 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.947 1.884 -14.567 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.730 3.048 -13.604 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.250 4.582 -14.301 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.022 2.664 -16.349 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.222 4.956 -13.947 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.737 5.242 -14.809 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.972 3.036 -17.450 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.160 4.160 -16.783 1.00 0.00 H new ATOM 231 N GLU A 16 -5.322 1.404 -12.356 1.00 0.00 N ATOM 232 CA GLU A 16 -6.558 0.850 -11.815 1.00 0.00 C ATOM 233 C GLU A 16 -6.369 0.411 -10.366 1.00 0.00 C ATOM 234 O GLU A 16 -7.266 0.565 -9.538 1.00 0.00 O ATOM 235 CB GLU A 16 -7.024 -0.336 -12.663 1.00 0.00 C ATOM 236 CG GLU A 16 -6.183 -1.588 -12.474 1.00 0.00 C ATOM 237 CD GLU A 16 -6.638 -2.424 -11.294 1.00 0.00 C ATOM 238 OE1 GLU A 16 -7.714 -2.125 -10.736 1.00 0.00 O ATOM 239 OE2 GLU A 16 -5.919 -3.376 -10.928 1.00 0.00 O ATOM 0 H GLU A 16 -4.820 0.780 -12.988 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.319 1.629 -11.843 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.061 -0.564 -12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.003 -0.050 -13.715 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.228 -2.191 -13.381 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.141 -1.303 -12.332 1.00 0.00 H new ATOM 246 N ALA A 17 -5.196 -0.140 -10.069 1.00 0.00 N ATOM 247 CA ALA A 17 -4.889 -0.600 -8.720 1.00 0.00 C ATOM 248 C ALA A 17 -4.995 0.540 -7.713 1.00 0.00 C ATOM 249 O ALA A 17 -5.427 0.341 -6.578 1.00 0.00 O ATOM 250 CB ALA A 17 -3.498 -1.218 -8.678 1.00 0.00 C ATOM 0 H ALA A 17 -4.444 -0.278 -10.744 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.621 -1.360 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.281 -1.557 -7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.456 -2.066 -9.362 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.760 -0.474 -8.977 1.00 0.00 H new ATOM 256 N PHE A 18 -4.596 1.735 -8.135 1.00 0.00 N ATOM 257 CA PHE A 18 -4.644 2.908 -7.270 1.00 0.00 C ATOM 258 C PHE A 18 -6.064 3.458 -7.178 1.00 0.00 C ATOM 259 O PHE A 18 -6.582 3.689 -6.086 1.00 0.00 O ATOM 260 CB PHE A 18 -3.698 3.991 -7.789 1.00 0.00 C ATOM 261 CG PHE A 18 -2.415 3.448 -8.350 1.00 0.00 C ATOM 262 CD1 PHE A 18 -1.672 2.517 -7.642 1.00 0.00 C ATOM 263 CD2 PHE A 18 -1.950 3.869 -9.586 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.491 2.015 -8.155 1.00 0.00 C ATOM 265 CE2 PHE A 18 -0.770 3.369 -10.104 1.00 0.00 C ATOM 266 CZ PHE A 18 -0.040 2.442 -9.388 1.00 0.00 C ATOM 0 H PHE A 18 -4.235 1.917 -9.072 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.325 2.606 -6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.207 4.568 -8.561 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.467 4.680 -6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.020 2.179 -6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.516 4.596 -10.150 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.078 1.290 -7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.419 3.704 -11.069 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.882 2.051 -9.792 1.00 0.00 H new ATOM 276 N ALA A 19 -6.688 3.665 -8.333 1.00 0.00 N ATOM 277 CA ALA A 19 -8.048 4.187 -8.384 1.00 0.00 C ATOM 278 C ALA A 19 -9.013 3.277 -7.633 1.00 0.00 C ATOM 279 O ALA A 19 -10.086 3.707 -7.208 1.00 0.00 O ATOM 280 CB ALA A 19 -8.495 4.355 -9.829 1.00 0.00 C ATOM 0 H ALA A 19 -6.273 3.479 -9.246 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.055 5.162 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.512 4.746 -9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.828 5.051 -10.338 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.466 3.389 -10.334 1.00 0.00 H new ATOM 286 N LYS A 20 -8.627 2.016 -7.472 1.00 0.00 N ATOM 287 CA LYS A 20 -9.457 1.044 -6.771 1.00 0.00 C ATOM 288 C LYS A 20 -9.657 1.448 -5.315 1.00 0.00 C ATOM 289 O LYS A 20 -10.784 1.661 -4.868 1.00 0.00 O ATOM 290 CB LYS A 20 -8.821 -0.347 -6.842 1.00 0.00 C ATOM 291 CG LYS A 20 -9.693 -1.378 -7.538 1.00 0.00 C ATOM 292 CD LYS A 20 -10.030 -0.958 -8.958 1.00 0.00 C ATOM 293 CE LYS A 20 -10.831 -2.031 -9.681 1.00 0.00 C ATOM 294 NZ LYS A 20 -10.973 -1.731 -11.134 1.00 0.00 N ATOM 0 H LYS A 20 -7.743 1.643 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.431 1.017 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.868 -0.276 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.603 -0.690 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.179 -2.339 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.613 -1.519 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.599 -0.029 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.110 -0.757 -9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.341 -2.997 -9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.819 -2.114 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.524 -2.485 -11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.463 -0.822 -11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.031 -1.677 -11.571 1.00 0.00 H new ATOM 308 N VAL A 21 -8.556 1.555 -4.578 1.00 0.00 N ATOM 309 CA VAL A 21 -8.611 1.938 -3.172 1.00 0.00 C ATOM 310 C VAL A 21 -8.997 3.404 -3.015 1.00 0.00 C ATOM 311 O VAL A 21 -9.406 3.838 -1.938 1.00 0.00 O ATOM 312 CB VAL A 21 -7.259 1.697 -2.472 1.00 0.00 C ATOM 313 CG1 VAL A 21 -7.007 0.208 -2.296 1.00 0.00 C ATOM 314 CG2 VAL A 21 -6.130 2.348 -3.256 1.00 0.00 C ATOM 0 H VAL A 21 -7.615 1.382 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.372 1.314 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.295 2.154 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.048 0.057 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.801 -0.226 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.991 -0.276 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.183 2.168 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.090 1.922 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.307 3.421 -3.325 1.00 0.00 H new ATOM 324 N ASP A 22 -8.865 4.163 -4.098 1.00 0.00 N ATOM 325 CA ASP A 22 -9.202 5.582 -4.083 1.00 0.00 C ATOM 326 C ASP A 22 -10.679 5.787 -3.758 1.00 0.00 C ATOM 327 O ASP A 22 -11.534 5.727 -4.643 1.00 0.00 O ATOM 328 CB ASP A 22 -8.871 6.222 -5.431 1.00 0.00 C ATOM 329 CG ASP A 22 -7.435 6.703 -5.506 1.00 0.00 C ATOM 330 OD1 ASP A 22 -6.825 6.586 -6.590 1.00 0.00 O ATOM 331 OD2 ASP A 22 -6.921 7.198 -4.481 1.00 0.00 O ATOM 0 H ASP A 22 -8.527 3.819 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.607 6.062 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.051 5.500 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.542 7.063 -5.606 1.00 0.00 H new ATOM 336 N THR A 23 -10.972 6.025 -2.484 1.00 0.00 N ATOM 337 CA THR A 23 -12.345 6.235 -2.043 1.00 0.00 C ATOM 338 C THR A 23 -12.865 7.596 -2.491 1.00 0.00 C ATOM 339 O THR A 23 -13.930 7.694 -3.102 1.00 0.00 O ATOM 340 CB THR A 23 -12.464 6.133 -0.509 1.00 0.00 C ATOM 341 OG1 THR A 23 -11.538 7.029 0.115 1.00 0.00 O ATOM 342 CG2 THR A 23 -12.197 4.711 -0.040 1.00 0.00 C ATOM 0 H THR A 23 -10.277 6.077 -1.739 1.00 0.00 H new ATOM 0 HA THR A 23 -12.947 5.450 -2.501 1.00 0.00 H new ATOM 0 HB THR A 23 -13.480 6.407 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.650 6.615 0.142 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.286 4.663 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.922 4.036 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.191 4.414 -0.335 1.00 0.00 H new ATOM 350 N ASP A 24 -12.107 8.644 -2.186 1.00 0.00 N ATOM 351 CA ASP A 24 -12.491 10.000 -2.561 1.00 0.00 C ATOM 352 C ASP A 24 -12.153 10.276 -4.022 1.00 0.00 C ATOM 353 O ASP A 24 -12.577 11.283 -4.589 1.00 0.00 O ATOM 354 CB ASP A 24 -11.789 11.018 -1.660 1.00 0.00 C ATOM 355 CG ASP A 24 -10.299 10.765 -1.552 1.00 0.00 C ATOM 356 OD1 ASP A 24 -9.761 10.854 -0.429 1.00 0.00 O ATOM 357 OD2 ASP A 24 -9.669 10.476 -2.592 1.00 0.00 O ATOM 0 H ASP A 24 -11.223 8.580 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.569 10.095 -2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.957 12.021 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.233 10.985 -0.665 1.00 0.00 H new ATOM 362 N GLY A 25 -11.385 9.375 -4.628 1.00 0.00 N ATOM 363 CA GLY A 25 -11.001 9.541 -6.018 1.00 0.00 C ATOM 364 C GLY A 25 -10.151 10.776 -6.241 1.00 0.00 C ATOM 365 O GLY A 25 -10.514 11.654 -7.022 1.00 0.00 O ATOM 0 H GLY A 25 -11.022 8.533 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.450 8.660 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.898 9.605 -6.634 1.00 0.00 H new ATOM 369 N ASN A 26 -9.016 10.843 -5.553 1.00 0.00 N ATOM 370 CA ASN A 26 -8.112 11.980 -5.680 1.00 0.00 C ATOM 371 C ASN A 26 -6.805 11.565 -6.349 1.00 0.00 C ATOM 372 O ASN A 26 -6.035 12.408 -6.806 1.00 0.00 O ATOM 373 CB ASN A 26 -7.825 12.584 -4.303 1.00 0.00 C ATOM 374 CG ASN A 26 -7.158 11.596 -3.366 1.00 0.00 C ATOM 375 OD1 ASN A 26 -7.009 10.417 -3.691 1.00 0.00 O ATOM 376 ND2 ASN A 26 -6.753 12.072 -2.195 1.00 0.00 N ATOM 0 H ASN A 26 -8.701 10.124 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 26 -8.596 12.730 -6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.185 13.459 -4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.759 12.928 -3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.298 11.454 -1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.897 13.056 -1.967 1.00 0.00 H new ATOM 383 N GLY A 27 -6.564 10.259 -6.403 1.00 0.00 N ATOM 384 CA GLY A 27 -5.349 9.754 -7.018 1.00 0.00 C ATOM 385 C GLY A 27 -4.200 9.653 -6.035 1.00 0.00 C ATOM 386 O GLY A 27 -3.038 9.577 -6.434 1.00 0.00 O ATOM 0 H GLY A 27 -7.187 9.542 -6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.544 8.771 -7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.063 10.409 -7.841 1.00 0.00 H new ATOM 390 N TYR A 28 -4.524 9.654 -4.747 1.00 0.00 N ATOM 391 CA TYR A 28 -3.509 9.565 -3.704 1.00 0.00 C ATOM 392 C TYR A 28 -3.753 8.355 -2.808 1.00 0.00 C ATOM 393 O TYR A 28 -4.887 7.902 -2.653 1.00 0.00 O ATOM 394 CB TYR A 28 -3.498 10.843 -2.863 1.00 0.00 C ATOM 395 CG TYR A 28 -2.664 11.954 -3.460 1.00 0.00 C ATOM 396 CD1 TYR A 28 -3.252 13.142 -3.879 1.00 0.00 C ATOM 397 CD2 TYR A 28 -1.290 11.815 -3.608 1.00 0.00 C ATOM 398 CE1 TYR A 28 -2.494 14.159 -4.425 1.00 0.00 C ATOM 399 CE2 TYR A 28 -0.524 12.827 -4.153 1.00 0.00 C ATOM 400 CZ TYR A 28 -1.131 13.998 -4.560 1.00 0.00 C ATOM 401 OH TYR A 28 -0.371 15.008 -5.104 1.00 0.00 O ATOM 0 H TYR A 28 -5.481 9.715 -4.400 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.539 9.447 -4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.522 11.195 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.119 10.610 -1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.319 13.272 -3.776 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.812 10.900 -3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.966 15.076 -4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.543 12.703 -4.260 1.00 0.00 H new ATOM 0 HH TYR A 28 0.570 14.734 -5.126 1.00 0.00 H new ATOM 411 N ILE A 29 -2.681 7.838 -2.218 1.00 0.00 N ATOM 412 CA ILE A 29 -2.777 6.682 -1.335 1.00 0.00 C ATOM 413 C ILE A 29 -1.918 6.869 -0.089 1.00 0.00 C ATOM 414 O ILE A 29 -0.699 7.008 -0.177 1.00 0.00 O ATOM 415 CB ILE A 29 -2.347 5.388 -2.051 1.00 0.00 C ATOM 416 CG1 ILE A 29 -3.288 5.090 -3.221 1.00 0.00 C ATOM 417 CG2 ILE A 29 -2.324 4.223 -1.074 1.00 0.00 C ATOM 418 CD1 ILE A 29 -2.940 3.823 -3.969 1.00 0.00 C ATOM 0 H ILE A 29 -1.735 8.201 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.824 6.595 -1.043 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.340 5.526 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.308 5.012 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.268 5.930 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.018 3.316 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.618 4.435 -0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.320 4.081 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.649 3.675 -4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.932 3.905 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.988 2.973 -3.288 1.00 0.00 H new ATOM 430 N SER A 30 -2.564 6.869 1.073 1.00 0.00 N ATOM 431 CA SER A 30 -1.860 7.041 2.338 1.00 0.00 C ATOM 432 C SER A 30 -1.712 5.705 3.063 1.00 0.00 C ATOM 433 O SER A 30 -2.030 4.650 2.515 1.00 0.00 O ATOM 434 CB SER A 30 -2.604 8.037 3.229 1.00 0.00 C ATOM 435 OG SER A 30 -1.757 8.544 4.246 1.00 0.00 O ATOM 0 H SER A 30 -3.573 6.752 1.164 1.00 0.00 H new ATOM 0 HA SER A 30 -0.865 7.431 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.982 8.860 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.469 7.550 3.681 1.00 0.00 H new ATOM 0 HG SER A 30 -1.352 9.384 3.946 1.00 0.00 H new ATOM 441 N PHE A 31 -1.226 5.761 4.299 1.00 0.00 N ATOM 442 CA PHE A 31 -1.034 4.558 5.100 1.00 0.00 C ATOM 443 C PHE A 31 -2.375 3.922 5.456 1.00 0.00 C ATOM 444 O PHE A 31 -2.453 2.725 5.728 1.00 0.00 O ATOM 445 CB PHE A 31 -0.257 4.886 6.376 1.00 0.00 C ATOM 446 CG PHE A 31 -0.322 3.803 7.414 1.00 0.00 C ATOM 447 CD1 PHE A 31 -1.346 3.780 8.346 1.00 0.00 C ATOM 448 CD2 PHE A 31 0.641 2.808 7.457 1.00 0.00 C ATOM 449 CE1 PHE A 31 -1.409 2.784 9.303 1.00 0.00 C ATOM 450 CE2 PHE A 31 0.583 1.810 8.411 1.00 0.00 C ATOM 451 CZ PHE A 31 -0.443 1.798 9.336 1.00 0.00 C ATOM 0 H PHE A 31 -0.958 6.627 4.767 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.460 3.846 4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.786 5.070 6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.648 5.810 6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.104 4.549 8.325 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.446 2.812 6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.213 2.777 10.024 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.340 1.040 8.433 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.489 1.019 10.083 1.00 0.00 H new ATOM 461 N ASN A 32 -3.427 4.734 5.454 1.00 0.00 N ATOM 462 CA ASN A 32 -4.765 4.252 5.780 1.00 0.00 C ATOM 463 C ASN A 32 -5.278 3.305 4.700 1.00 0.00 C ATOM 464 O ASN A 32 -5.624 2.157 4.981 1.00 0.00 O ATOM 465 CB ASN A 32 -5.728 5.429 5.941 1.00 0.00 C ATOM 466 CG ASN A 32 -5.421 6.264 7.169 1.00 0.00 C ATOM 467 OD1 ASN A 32 -4.420 6.979 7.212 1.00 0.00 O ATOM 468 ND2 ASN A 32 -6.283 6.176 8.174 1.00 0.00 N ATOM 0 H ASN A 32 -3.379 5.728 5.231 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.709 3.706 6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.677 6.060 5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -6.749 5.053 6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.129 6.714 9.027 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.100 5.570 8.094 1.00 0.00 H new ATOM 475 N GLU A 33 -5.324 3.792 3.464 1.00 0.00 N ATOM 476 CA GLU A 33 -5.795 2.989 2.343 1.00 0.00 C ATOM 477 C GLU A 33 -4.960 1.719 2.193 1.00 0.00 C ATOM 478 O GLU A 33 -5.497 0.626 2.009 1.00 0.00 O ATOM 479 CB GLU A 33 -5.745 3.800 1.048 1.00 0.00 C ATOM 480 CG GLU A 33 -6.287 5.212 1.193 1.00 0.00 C ATOM 481 CD GLU A 33 -7.293 5.564 0.114 1.00 0.00 C ATOM 482 OE1 GLU A 33 -7.008 5.298 -1.072 1.00 0.00 O ATOM 483 OE2 GLU A 33 -8.365 6.105 0.456 1.00 0.00 O ATOM 0 H GLU A 33 -5.040 4.739 3.214 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.827 2.703 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.713 3.850 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.316 3.278 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.756 5.318 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.459 5.920 1.158 1.00 0.00 H new ATOM 490 N LEU A 34 -3.643 1.873 2.274 1.00 0.00 N ATOM 491 CA LEU A 34 -2.731 0.740 2.147 1.00 0.00 C ATOM 492 C LEU A 34 -2.984 -0.287 3.247 1.00 0.00 C ATOM 493 O LEU A 34 -3.354 -1.426 2.971 1.00 0.00 O ATOM 494 CB LEU A 34 -1.280 1.220 2.205 1.00 0.00 C ATOM 495 CG LEU A 34 -0.388 0.800 1.036 1.00 0.00 C ATOM 496 CD1 LEU A 34 -0.763 1.566 -0.224 1.00 0.00 C ATOM 497 CD2 LEU A 34 1.078 1.020 1.378 1.00 0.00 C ATOM 0 H LEU A 34 -3.182 2.770 2.427 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.911 0.265 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.280 2.308 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.833 0.851 3.128 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.542 -0.263 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.118 1.254 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.802 1.359 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.638 2.635 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.698 0.716 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.248 2.075 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.340 0.427 2.254 1.00 0.00 H new ATOM 509 N ASN A 35 -2.781 0.127 4.494 1.00 0.00 N ATOM 510 CA ASN A 35 -2.988 -0.757 5.635 1.00 0.00 C ATOM 511 C ASN A 35 -4.361 -1.418 5.569 1.00 0.00 C ATOM 512 O ASN A 35 -4.514 -2.589 5.919 1.00 0.00 O ATOM 513 CB ASN A 35 -2.848 0.024 6.943 1.00 0.00 C ATOM 514 CG ASN A 35 -2.550 -0.877 8.125 1.00 0.00 C ATOM 515 OD1 ASN A 35 -1.440 -0.873 8.660 1.00 0.00 O ATOM 516 ND2 ASN A 35 -3.542 -1.656 8.541 1.00 0.00 N ATOM 0 H ASN A 35 -2.474 1.068 4.739 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.227 -1.537 5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.050 0.760 6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.768 0.576 7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.400 -2.283 9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.446 -1.627 8.069 1.00 0.00 H new ATOM 523 N ASP A 36 -5.355 -0.661 5.119 1.00 0.00 N ATOM 524 CA ASP A 36 -6.715 -1.173 5.005 1.00 0.00 C ATOM 525 C ASP A 36 -6.828 -2.166 3.851 1.00 0.00 C ATOM 526 O ASP A 36 -7.601 -3.123 3.913 1.00 0.00 O ATOM 527 CB ASP A 36 -7.702 -0.023 4.803 1.00 0.00 C ATOM 528 CG ASP A 36 -9.128 -0.417 5.132 1.00 0.00 C ATOM 529 OD1 ASP A 36 -9.983 -0.367 4.223 1.00 0.00 O ATOM 530 OD2 ASP A 36 -9.389 -0.777 6.299 1.00 0.00 O ATOM 0 H ASP A 36 -5.244 0.310 4.827 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.959 -1.692 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.407 0.819 5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.652 0.317 3.769 1.00 0.00 H new ATOM 535 N LEU A 37 -6.053 -1.929 2.798 1.00 0.00 N ATOM 536 CA LEU A 37 -6.066 -2.801 1.628 1.00 0.00 C ATOM 537 C LEU A 37 -5.385 -4.132 1.933 1.00 0.00 C ATOM 538 O LEU A 37 -5.859 -5.191 1.525 1.00 0.00 O ATOM 539 CB LEU A 37 -5.371 -2.117 0.450 1.00 0.00 C ATOM 540 CG LEU A 37 -5.429 -2.858 -0.886 1.00 0.00 C ATOM 541 CD1 LEU A 37 -4.330 -3.904 -0.965 1.00 0.00 C ATOM 542 CD2 LEU A 37 -6.796 -3.501 -1.080 1.00 0.00 C ATOM 0 H LEU A 37 -5.408 -1.141 2.730 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.105 -2.998 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.815 -1.131 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.324 -1.962 0.712 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.272 -2.136 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.388 -4.421 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.358 -3.419 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.454 -4.624 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.820 -4.024 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.982 -4.210 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.566 -2.729 -1.070 1.00 0.00 H new ATOM 554 N PHE A 38 -4.270 -4.068 2.655 1.00 0.00 N ATOM 555 CA PHE A 38 -3.524 -5.268 3.016 1.00 0.00 C ATOM 556 C PHE A 38 -4.214 -6.015 4.152 1.00 0.00 C ATOM 557 O PHE A 38 -4.146 -7.242 4.236 1.00 0.00 O ATOM 558 CB PHE A 38 -2.096 -4.901 3.424 1.00 0.00 C ATOM 559 CG PHE A 38 -1.349 -4.133 2.371 1.00 0.00 C ATOM 560 CD1 PHE A 38 -1.631 -4.321 1.027 1.00 0.00 C ATOM 561 CD2 PHE A 38 -0.366 -3.222 2.725 1.00 0.00 C ATOM 562 CE1 PHE A 38 -0.946 -3.616 0.056 1.00 0.00 C ATOM 563 CE2 PHE A 38 0.321 -2.514 1.758 1.00 0.00 C ATOM 564 CZ PHE A 38 0.032 -2.711 0.423 1.00 0.00 C ATOM 0 H PHE A 38 -3.864 -3.199 3.001 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.489 -5.921 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.129 -4.309 4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.547 -5.814 3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.395 -5.027 0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.135 -3.064 3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.174 -3.772 -0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.084 -1.806 2.047 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.569 -2.159 -0.334 1.00 0.00 H new ATOM 574 N LYS A 39 -4.878 -5.268 5.028 1.00 0.00 N ATOM 575 CA LYS A 39 -5.582 -5.859 6.160 1.00 0.00 C ATOM 576 C LYS A 39 -6.902 -6.481 5.716 1.00 0.00 C ATOM 577 O LYS A 39 -7.193 -7.634 6.033 1.00 0.00 O ATOM 578 CB LYS A 39 -5.843 -4.799 7.233 1.00 0.00 C ATOM 579 CG LYS A 39 -6.448 -5.361 8.508 1.00 0.00 C ATOM 580 CD LYS A 39 -5.375 -5.748 9.512 1.00 0.00 C ATOM 581 CE LYS A 39 -5.705 -5.234 10.906 1.00 0.00 C ATOM 582 NZ LYS A 39 -5.033 -6.036 11.965 1.00 0.00 N ATOM 0 H LYS A 39 -4.943 -4.251 4.975 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.952 -6.645 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.905 -4.300 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.512 -4.040 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.114 -4.621 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.056 -6.234 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.273 -6.833 9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.414 -5.345 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.399 -4.191 10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.784 -5.263 11.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.282 -5.655 12.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.344 -7.026 11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.002 -5.988 11.835 1.00 0.00 H new ATOM 596 N ALA A 40 -7.696 -5.712 4.979 1.00 0.00 N ATOM 597 CA ALA A 40 -8.983 -6.191 4.488 1.00 0.00 C ATOM 598 C ALA A 40 -8.828 -7.509 3.739 1.00 0.00 C ATOM 599 O ALA A 40 -9.737 -8.339 3.730 1.00 0.00 O ATOM 600 CB ALA A 40 -9.628 -5.144 3.591 1.00 0.00 C ATOM 0 H ALA A 40 -7.471 -4.755 4.708 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.630 -6.366 5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.588 -5.514 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.783 -4.225 4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.976 -4.941 2.741 1.00 0.00 H new ATOM 606 N ALA A 41 -7.673 -7.695 3.110 1.00 0.00 N ATOM 607 CA ALA A 41 -7.399 -8.915 2.359 1.00 0.00 C ATOM 608 C ALA A 41 -7.518 -10.146 3.250 1.00 0.00 C ATOM 609 O ALA A 41 -7.716 -11.260 2.762 1.00 0.00 O ATOM 610 CB ALA A 41 -6.016 -8.847 1.729 1.00 0.00 C ATOM 0 H ALA A 41 -6.911 -7.017 3.105 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.143 -9.000 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.825 -9.764 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.966 -7.994 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.265 -8.734 2.511 1.00 0.00 H new ATOM 616 N CYS A 42 -7.394 -9.940 4.556 1.00 0.00 N ATOM 617 CA CYS A 42 -7.486 -11.035 5.516 1.00 0.00 C ATOM 618 C CYS A 42 -6.483 -12.134 5.183 1.00 0.00 C ATOM 619 O CYS A 42 -6.849 -13.300 5.030 1.00 0.00 O ATOM 620 CB CYS A 42 -8.903 -11.609 5.531 1.00 0.00 C ATOM 621 SG CYS A 42 -10.157 -10.467 6.158 1.00 0.00 S ATOM 0 H CYS A 42 -7.229 -9.025 4.975 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.251 -10.641 6.505 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.173 -11.907 4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.911 -12.512 6.142 1.00 0.00 H new ATOM 0 HG CYS A 42 -10.243 -9.439 5.366 1.00 0.00 H new ATOM 627 N LEU A 43 -5.214 -11.755 5.072 1.00 0.00 N ATOM 628 CA LEU A 43 -4.156 -12.709 4.756 1.00 0.00 C ATOM 629 C LEU A 43 -3.762 -13.515 5.989 1.00 0.00 C ATOM 630 O LEU A 43 -3.990 -13.105 7.128 1.00 0.00 O ATOM 631 CB LEU A 43 -2.933 -11.978 4.199 1.00 0.00 C ATOM 632 CG LEU A 43 -2.991 -11.606 2.717 1.00 0.00 C ATOM 633 CD1 LEU A 43 -1.766 -10.794 2.322 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.104 -12.856 1.856 1.00 0.00 C ATOM 0 H LEU A 43 -4.893 -10.795 5.196 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.536 -13.398 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.786 -11.065 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.055 -12.603 4.362 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.877 -10.994 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.825 -10.538 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.729 -9.880 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.866 -11.381 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.144 -12.571 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.237 -13.495 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.012 -13.399 2.120 1.00 0.00 H new ATOM 646 N PRO A 44 -3.156 -14.690 5.761 1.00 0.00 N ATOM 647 CA PRO A 44 -2.715 -15.576 6.842 1.00 0.00 C ATOM 648 C PRO A 44 -1.532 -15.004 7.615 1.00 0.00 C ATOM 649 O PRO A 44 -1.116 -15.559 8.633 1.00 0.00 O ATOM 650 CB PRO A 44 -2.305 -16.854 6.106 1.00 0.00 C ATOM 651 CG PRO A 44 -1.948 -16.404 4.733 1.00 0.00 C ATOM 652 CD PRO A 44 -2.853 -15.241 4.430 1.00 0.00 C ATOM 0 HA PRO A 44 -3.495 -15.728 7.588 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.460 -17.339 6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.120 -17.578 6.086 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.900 -16.108 4.679 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.089 -17.207 4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.362 -14.505 3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.757 -15.560 3.911 1.00 0.00 H new ATOM 660 N LEU A 45 -0.995 -13.892 7.126 1.00 0.00 N ATOM 661 CA LEU A 45 0.141 -13.243 7.773 1.00 0.00 C ATOM 662 C LEU A 45 -0.286 -12.562 9.069 1.00 0.00 C ATOM 663 O LEU A 45 -1.438 -12.164 9.239 1.00 0.00 O ATOM 664 CB LEU A 45 0.773 -12.219 6.829 1.00 0.00 C ATOM 665 CG LEU A 45 1.853 -12.752 5.886 1.00 0.00 C ATOM 666 CD1 LEU A 45 1.277 -13.814 4.962 1.00 0.00 C ATOM 667 CD2 LEU A 45 2.464 -11.615 5.079 1.00 0.00 C ATOM 0 H LEU A 45 -1.327 -13.421 6.284 1.00 0.00 H new ATOM 0 HA LEU A 45 0.878 -14.010 8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.019 -11.773 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.206 -11.419 7.430 1.00 0.00 H new ATOM 0 HG LEU A 45 2.640 -13.209 6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.059 -14.182 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.887 -14.640 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.471 -13.382 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.230 -12.012 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.687 -11.129 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.913 -10.888 5.756 1.00 0.00 H new ATOM 679 N PRO A 46 0.665 -12.421 10.005 1.00 0.00 N ATOM 680 CA PRO A 46 0.412 -11.785 11.301 1.00 0.00 C ATOM 681 C PRO A 46 0.178 -10.284 11.175 1.00 0.00 C ATOM 682 O PRO A 46 -0.027 -9.768 10.076 1.00 0.00 O ATOM 683 CB PRO A 46 1.695 -12.062 12.088 1.00 0.00 C ATOM 684 CG PRO A 46 2.747 -12.240 11.048 1.00 0.00 C ATOM 685 CD PRO A 46 2.060 -12.873 9.870 1.00 0.00 C ATOM 0 HA PRO A 46 -0.489 -12.173 11.776 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.935 -11.235 12.757 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.595 -12.954 12.707 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.190 -11.283 10.773 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.556 -12.872 11.415 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.498 -12.547 8.927 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.135 -13.960 9.898 1.00 0.00 H new ATOM 693 N GLY A 47 0.208 -9.586 12.306 1.00 0.00 N ATOM 694 CA GLY A 47 -0.002 -8.151 12.298 1.00 0.00 C ATOM 695 C GLY A 47 1.245 -7.384 11.903 1.00 0.00 C ATOM 696 O GLY A 47 1.196 -6.514 11.034 1.00 0.00 O ATOM 0 H GLY A 47 0.374 -9.989 13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.808 -7.909 11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.325 -7.829 13.288 1.00 0.00 H new ATOM 700 N TYR A 48 2.362 -7.706 12.543 1.00 0.00 N ATOM 701 CA TYR A 48 3.626 -7.039 12.257 1.00 0.00 C ATOM 702 C TYR A 48 3.987 -7.165 10.780 1.00 0.00 C ATOM 703 O TYR A 48 4.623 -6.280 10.206 1.00 0.00 O ATOM 704 CB TYR A 48 4.745 -7.627 13.118 1.00 0.00 C ATOM 705 CG TYR A 48 5.389 -8.856 12.518 1.00 0.00 C ATOM 706 CD1 TYR A 48 6.477 -8.746 11.660 1.00 0.00 C ATOM 707 CD2 TYR A 48 4.909 -10.128 12.806 1.00 0.00 C ATOM 708 CE1 TYR A 48 7.068 -9.866 11.108 1.00 0.00 C ATOM 709 CE2 TYR A 48 5.494 -11.253 12.261 1.00 0.00 C ATOM 710 CZ TYR A 48 6.574 -11.117 11.412 1.00 0.00 C ATOM 711 OH TYR A 48 7.159 -12.236 10.865 1.00 0.00 O ATOM 0 H TYR A 48 2.418 -8.425 13.264 1.00 0.00 H new ATOM 0 HA TYR A 48 3.510 -5.982 12.496 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.510 -6.866 13.274 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.342 -7.880 14.099 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.867 -7.768 11.421 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.063 -10.238 13.468 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.912 -9.762 10.442 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.109 -12.234 12.497 1.00 0.00 H new ATOM 0 HH TYR A 48 6.692 -13.037 11.181 1.00 0.00 H new ATOM 721 N ARG A 49 3.575 -8.272 10.170 1.00 0.00 N ATOM 722 CA ARG A 49 3.854 -8.516 8.760 1.00 0.00 C ATOM 723 C ARG A 49 3.224 -7.435 7.886 1.00 0.00 C ATOM 724 O ARG A 49 3.925 -6.693 7.197 1.00 0.00 O ATOM 725 CB ARG A 49 3.329 -9.891 8.345 1.00 0.00 C ATOM 726 CG ARG A 49 4.427 -10.912 8.093 1.00 0.00 C ATOM 727 CD ARG A 49 5.371 -10.454 6.992 1.00 0.00 C ATOM 728 NE ARG A 49 5.673 -11.526 6.048 1.00 0.00 N ATOM 729 CZ ARG A 49 6.428 -11.363 4.968 1.00 0.00 C ATOM 730 NH1 ARG A 49 6.956 -10.178 4.697 1.00 0.00 N ATOM 731 NH2 ARG A 49 6.657 -12.388 4.156 1.00 0.00 N ATOM 0 H ARG A 49 3.047 -9.014 10.630 1.00 0.00 H new ATOM 0 HA ARG A 49 4.935 -8.489 8.620 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.666 -10.268 9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.730 -9.784 7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.990 -11.077 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.981 -11.867 7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.924 -9.616 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.298 -10.091 7.437 1.00 0.00 H new ATOM 0 HE ARG A 49 5.283 -12.451 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.783 -9.388 5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.536 -10.056 3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.253 -13.302 4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.237 -12.262 3.327 1.00 0.00 H new ATOM 745 N VAL A 50 1.898 -7.352 7.919 1.00 0.00 N ATOM 746 CA VAL A 50 1.174 -6.362 7.131 1.00 0.00 C ATOM 747 C VAL A 50 1.633 -4.948 7.469 1.00 0.00 C ATOM 748 O VAL A 50 1.702 -4.081 6.597 1.00 0.00 O ATOM 749 CB VAL A 50 -0.346 -6.465 7.360 1.00 0.00 C ATOM 750 CG1 VAL A 50 -0.668 -6.405 8.845 1.00 0.00 C ATOM 751 CG2 VAL A 50 -1.073 -5.365 6.603 1.00 0.00 C ATOM 0 H VAL A 50 1.303 -7.959 8.483 1.00 0.00 H new ATOM 0 HA VAL A 50 1.391 -6.571 6.083 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.690 -7.426 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.746 -6.479 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.177 -7.232 9.358 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.312 -5.461 9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.146 -5.452 6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.727 -4.392 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.868 -5.461 5.537 1.00 0.00 H new ATOM 761 N ARG A 51 1.948 -4.722 8.740 1.00 0.00 N ATOM 762 CA ARG A 51 2.400 -3.412 9.194 1.00 0.00 C ATOM 763 C ARG A 51 3.799 -3.107 8.666 1.00 0.00 C ATOM 764 O ARG A 51 4.157 -1.947 8.467 1.00 0.00 O ATOM 765 CB ARG A 51 2.396 -3.350 10.723 1.00 0.00 C ATOM 766 CG ARG A 51 2.122 -1.960 11.274 1.00 0.00 C ATOM 767 CD ARG A 51 2.869 -1.721 12.577 1.00 0.00 C ATOM 768 NE ARG A 51 2.147 -0.808 13.461 1.00 0.00 N ATOM 769 CZ ARG A 51 1.048 -1.146 14.128 1.00 0.00 C ATOM 770 NH1 ARG A 51 0.547 -2.368 14.010 1.00 0.00 N ATOM 771 NH2 ARG A 51 0.449 -0.260 14.913 1.00 0.00 N ATOM 0 H ARG A 51 1.899 -5.429 9.474 1.00 0.00 H new ATOM 0 HA ARG A 51 1.711 -2.662 8.804 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.642 -4.038 11.104 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.360 -3.696 11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.419 -1.211 10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.052 -1.837 11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.024 -2.672 13.086 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.855 -1.311 12.360 1.00 0.00 H new ATOM 0 HE ARG A 51 2.506 0.140 13.572 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.005 -3.051 13.406 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.296 -2.625 14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.832 0.681 15.005 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.394 -0.520 15.425 1.00 0.00 H new ATOM 785 N GLU A 52 4.583 -4.156 8.440 1.00 0.00 N ATOM 786 CA GLU A 52 5.942 -4.000 7.936 1.00 0.00 C ATOM 787 C GLU A 52 5.935 -3.683 6.443 1.00 0.00 C ATOM 788 O GLU A 52 6.658 -2.798 5.983 1.00 0.00 O ATOM 789 CB GLU A 52 6.756 -5.270 8.196 1.00 0.00 C ATOM 790 CG GLU A 52 7.781 -5.118 9.309 1.00 0.00 C ATOM 791 CD GLU A 52 8.690 -3.922 9.106 1.00 0.00 C ATOM 792 OE1 GLU A 52 9.361 -3.859 8.055 1.00 0.00 O ATOM 793 OE2 GLU A 52 8.730 -3.049 9.997 1.00 0.00 O ATOM 0 H GLU A 52 4.300 -5.123 8.598 1.00 0.00 H new ATOM 0 HA GLU A 52 6.405 -3.167 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.075 -6.083 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.269 -5.558 7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.264 -5.018 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.385 -6.023 9.367 1.00 0.00 H new ATOM 800 N ILE A 53 5.116 -4.412 5.694 1.00 0.00 N ATOM 801 CA ILE A 53 5.014 -4.209 4.255 1.00 0.00 C ATOM 802 C ILE A 53 4.407 -2.847 3.933 1.00 0.00 C ATOM 803 O ILE A 53 4.812 -2.183 2.977 1.00 0.00 O ATOM 804 CB ILE A 53 4.165 -5.308 3.589 1.00 0.00 C ATOM 805 CG1 ILE A 53 2.762 -5.337 4.198 1.00 0.00 C ATOM 806 CG2 ILE A 53 4.841 -6.662 3.737 1.00 0.00 C ATOM 807 CD1 ILE A 53 1.867 -6.401 3.603 1.00 0.00 C ATOM 0 H ILE A 53 4.513 -5.149 6.060 1.00 0.00 H new ATOM 0 HA ILE A 53 6.028 -4.255 3.858 1.00 0.00 H new ATOM 0 HB ILE A 53 4.075 -5.084 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.844 -5.502 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.295 -4.362 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.229 -7.428 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.821 -6.633 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.958 -6.896 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.889 -6.363 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.754 -6.225 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.312 -7.383 3.764 1.00 0.00 H new ATOM 819 N THR A 54 3.433 -2.435 4.738 1.00 0.00 N ATOM 820 CA THR A 54 2.769 -1.152 4.540 1.00 0.00 C ATOM 821 C THR A 54 3.669 0.003 4.963 1.00 0.00 C ATOM 822 O THR A 54 3.710 1.041 4.304 1.00 0.00 O ATOM 823 CB THR A 54 1.449 -1.075 5.330 1.00 0.00 C ATOM 824 OG1 THR A 54 0.739 0.119 4.983 1.00 0.00 O ATOM 825 CG2 THR A 54 1.713 -1.097 6.828 1.00 0.00 C ATOM 0 H THR A 54 3.086 -2.971 5.533 1.00 0.00 H new ATOM 0 HA THR A 54 2.552 -1.069 3.475 1.00 0.00 H new ATOM 0 HB THR A 54 0.845 -1.944 5.071 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.787 0.756 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.766 -1.042 7.365 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.227 -2.021 7.093 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.335 -0.244 7.100 1.00 0.00 H new ATOM 833 N GLU A 55 4.389 -0.185 6.064 1.00 0.00 N ATOM 834 CA GLU A 55 5.287 0.844 6.574 1.00 0.00 C ATOM 835 C GLU A 55 6.450 1.074 5.612 1.00 0.00 C ATOM 836 O GLU A 55 6.784 2.214 5.288 1.00 0.00 O ATOM 837 CB GLU A 55 5.822 0.448 7.952 1.00 0.00 C ATOM 838 CG GLU A 55 4.914 0.858 9.098 1.00 0.00 C ATOM 839 CD GLU A 55 5.566 0.674 10.454 1.00 0.00 C ATOM 840 OE1 GLU A 55 6.483 -0.167 10.561 1.00 0.00 O ATOM 841 OE2 GLU A 55 5.161 1.370 11.409 1.00 0.00 O ATOM 0 H GLU A 55 4.368 -1.040 6.620 1.00 0.00 H new ATOM 0 HA GLU A 55 4.722 1.772 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.964 -0.632 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.802 0.902 8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.629 1.903 8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.997 0.271 9.058 1.00 0.00 H new ATOM 848 N ASN A 56 7.062 -0.015 5.160 1.00 0.00 N ATOM 849 CA ASN A 56 8.187 0.068 4.236 1.00 0.00 C ATOM 850 C ASN A 56 7.735 0.582 2.872 1.00 0.00 C ATOM 851 O ASN A 56 8.394 1.428 2.265 1.00 0.00 O ATOM 852 CB ASN A 56 8.850 -1.303 4.083 1.00 0.00 C ATOM 853 CG ASN A 56 9.516 -1.768 5.363 1.00 0.00 C ATOM 854 OD1 ASN A 56 9.537 -1.049 6.363 1.00 0.00 O ATOM 855 ND2 ASN A 56 10.065 -2.977 5.339 1.00 0.00 N ATOM 0 H ASN A 56 6.798 -0.966 5.418 1.00 0.00 H new ATOM 0 HA ASN A 56 8.911 0.771 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.101 -2.034 3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.592 -1.258 3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.527 -3.344 6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.024 -3.539 4.489 1.00 0.00 H new ATOM 862 N LEU A 57 6.607 0.065 2.397 1.00 0.00 N ATOM 863 CA LEU A 57 6.066 0.471 1.104 1.00 0.00 C ATOM 864 C LEU A 57 5.821 1.976 1.064 1.00 0.00 C ATOM 865 O LEU A 57 6.226 2.656 0.122 1.00 0.00 O ATOM 866 CB LEU A 57 4.762 -0.276 0.818 1.00 0.00 C ATOM 867 CG LEU A 57 4.098 0.022 -0.528 1.00 0.00 C ATOM 868 CD1 LEU A 57 5.101 -0.124 -1.661 1.00 0.00 C ATOM 869 CD2 LEU A 57 2.904 -0.893 -0.747 1.00 0.00 C ATOM 0 H LEU A 57 6.050 -0.635 2.887 1.00 0.00 H new ATOM 0 HA LEU A 57 6.798 0.220 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.960 -1.346 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.051 -0.042 1.611 1.00 0.00 H new ATOM 0 HG LEU A 57 3.742 1.052 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.611 0.092 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.924 0.574 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.488 -1.143 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.444 -0.667 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.235 -1.931 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.176 -0.737 0.049 1.00 0.00 H new ATOM 881 N MET A 58 5.159 2.490 2.096 1.00 0.00 N ATOM 882 CA MET A 58 4.865 3.916 2.181 1.00 0.00 C ATOM 883 C MET A 58 6.147 4.728 2.332 1.00 0.00 C ATOM 884 O MET A 58 6.298 5.788 1.723 1.00 0.00 O ATOM 885 CB MET A 58 3.929 4.197 3.358 1.00 0.00 C ATOM 886 CG MET A 58 2.537 3.612 3.180 1.00 0.00 C ATOM 887 SD MET A 58 1.632 4.376 1.821 1.00 0.00 S ATOM 888 CE MET A 58 1.519 6.067 2.397 1.00 0.00 C ATOM 0 H MET A 58 4.816 1.941 2.884 1.00 0.00 H new ATOM 0 HA MET A 58 4.373 4.215 1.255 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.371 3.792 4.268 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.846 5.275 3.497 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.618 2.540 3.000 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.973 3.739 4.104 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.823 6.620 1.766 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.162 6.077 3.427 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.503 6.534 2.349 1.00 0.00 H new ATOM 898 N ALA A 59 7.069 4.225 3.146 1.00 0.00 N ATOM 899 CA ALA A 59 8.339 4.903 3.375 1.00 0.00 C ATOM 900 C ALA A 59 9.154 4.990 2.089 1.00 0.00 C ATOM 901 O ALA A 59 9.714 6.039 1.766 1.00 0.00 O ATOM 902 CB ALA A 59 9.133 4.186 4.458 1.00 0.00 C ATOM 0 H ALA A 59 6.960 3.350 3.658 1.00 0.00 H new ATOM 0 HA ALA A 59 8.126 5.918 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.079 4.703 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.561 4.181 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.329 3.160 4.147 1.00 0.00 H new ATOM 908 N THR A 60 9.218 3.882 1.358 1.00 0.00 N ATOM 909 CA THR A 60 9.967 3.833 0.108 1.00 0.00 C ATOM 910 C THR A 60 9.090 4.233 -1.074 1.00 0.00 C ATOM 911 O THR A 60 9.509 4.146 -2.227 1.00 0.00 O ATOM 912 CB THR A 60 10.542 2.428 -0.147 1.00 0.00 C ATOM 913 OG1 THR A 60 11.446 2.462 -1.258 1.00 0.00 O ATOM 914 CG2 THR A 60 9.429 1.429 -0.424 1.00 0.00 C ATOM 0 H THR A 60 8.760 3.006 1.610 1.00 0.00 H new ATOM 0 HA THR A 60 10.789 4.542 0.204 1.00 0.00 H new ATOM 0 HB THR A 60 11.078 2.112 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.092 3.059 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.860 0.444 -0.601 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.759 1.383 0.435 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.869 1.743 -1.305 1.00 0.00 H new ATOM 922 N GLY A 61 7.871 4.673 -0.778 1.00 0.00 N ATOM 923 CA GLY A 61 6.955 5.082 -1.827 1.00 0.00 C ATOM 924 C GLY A 61 6.579 6.548 -1.730 1.00 0.00 C ATOM 925 O GLY A 61 5.631 6.996 -2.376 1.00 0.00 O ATOM 0 H GLY A 61 7.501 4.754 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.411 4.891 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.052 4.474 -1.774 1.00 0.00 H new ATOM 929 N ASP A 62 7.321 7.295 -0.922 1.00 0.00 N ATOM 930 CA ASP A 62 7.060 8.719 -0.742 1.00 0.00 C ATOM 931 C ASP A 62 8.279 9.547 -1.131 1.00 0.00 C ATOM 932 O ASP A 62 9.378 9.333 -0.619 1.00 0.00 O ATOM 933 CB ASP A 62 6.672 9.009 0.710 1.00 0.00 C ATOM 934 CG ASP A 62 5.172 8.965 0.927 1.00 0.00 C ATOM 935 OD1 ASP A 62 4.425 9.317 -0.011 1.00 0.00 O ATOM 936 OD2 ASP A 62 4.745 8.578 2.034 1.00 0.00 O ATOM 0 H ASP A 62 8.109 6.939 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 62 6.231 8.997 -1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.153 8.281 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.049 9.991 0.995 1.00 0.00 H new ATOM 941 N LEU A 63 8.078 10.496 -2.039 1.00 0.00 N ATOM 942 CA LEU A 63 9.161 11.359 -2.498 1.00 0.00 C ATOM 943 C LEU A 63 9.380 12.519 -1.532 1.00 0.00 C ATOM 944 O LEU A 63 10.458 12.663 -0.955 1.00 0.00 O ATOM 945 CB LEU A 63 8.853 11.896 -3.897 1.00 0.00 C ATOM 946 CG LEU A 63 9.008 10.900 -5.047 1.00 0.00 C ATOM 947 CD1 LEU A 63 7.998 11.193 -6.146 1.00 0.00 C ATOM 948 CD2 LEU A 63 10.426 10.937 -5.598 1.00 0.00 C ATOM 0 H LEU A 63 7.175 10.687 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 63 10.074 10.765 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.830 12.271 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.506 12.747 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 63 8.816 9.898 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.123 10.474 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.988 11.113 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.158 12.201 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.517 10.222 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.647 11.939 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.130 10.677 -4.808 1.00 0.00 H new ATOM 960 N ASP A 64 8.352 13.341 -1.360 1.00 0.00 N ATOM 961 CA ASP A 64 8.431 14.486 -0.461 1.00 0.00 C ATOM 962 C ASP A 64 7.901 14.127 0.925 1.00 0.00 C ATOM 963 O ASP A 64 7.984 14.927 1.856 1.00 0.00 O ATOM 964 CB ASP A 64 7.641 15.665 -1.032 1.00 0.00 C ATOM 965 CG ASP A 64 6.210 15.294 -1.373 1.00 0.00 C ATOM 966 OD1 ASP A 64 5.767 15.607 -2.497 1.00 0.00 O ATOM 967 OD2 ASP A 64 5.535 14.689 -0.514 1.00 0.00 O ATOM 0 H ASP A 64 7.454 13.236 -1.831 1.00 0.00 H new ATOM 0 HA ASP A 64 9.479 14.771 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.639 16.481 -0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.141 16.034 -1.928 1.00 0.00 H new ATOM 972 N GLN A 65 7.358 12.921 1.050 1.00 0.00 N ATOM 973 CA GLN A 65 6.814 12.458 2.322 1.00 0.00 C ATOM 974 C GLN A 65 5.681 13.365 2.792 1.00 0.00 C ATOM 975 O GLN A 65 5.662 13.807 3.940 1.00 0.00 O ATOM 976 CB GLN A 65 7.914 12.407 3.383 1.00 0.00 C ATOM 977 CG GLN A 65 9.095 11.532 2.993 1.00 0.00 C ATOM 978 CD GLN A 65 10.381 11.948 3.678 1.00 0.00 C ATOM 979 OE1 GLN A 65 10.904 11.229 4.531 1.00 0.00 O ATOM 980 NE2 GLN A 65 10.900 13.113 3.307 1.00 0.00 N ATOM 0 H GLN A 65 7.283 12.247 0.288 1.00 0.00 H new ATOM 0 HA GLN A 65 6.415 11.455 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.270 13.419 3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.490 12.036 4.316 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.873 10.495 3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.233 11.575 1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.433 13.676 2.596 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.766 13.444 3.733 1.00 0.00 H new ATOM 989 N ASP A 66 4.737 13.637 1.896 1.00 0.00 N ATOM 990 CA ASP A 66 3.600 14.490 2.219 1.00 0.00 C ATOM 991 C ASP A 66 2.521 13.702 2.955 1.00 0.00 C ATOM 992 O ASP A 66 1.607 14.279 3.542 1.00 0.00 O ATOM 993 CB ASP A 66 3.019 15.106 0.946 1.00 0.00 C ATOM 994 CG ASP A 66 2.828 14.084 -0.157 1.00 0.00 C ATOM 995 OD1 ASP A 66 2.442 12.939 0.156 1.00 0.00 O ATOM 996 OD2 ASP A 66 3.062 14.430 -1.334 1.00 0.00 O ATOM 0 H ASP A 66 4.738 13.279 0.941 1.00 0.00 H new ATOM 0 HA ASP A 66 3.951 15.289 2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.061 15.571 1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.681 15.897 0.594 1.00 0.00 H new ATOM 1001 N GLY A 67 2.633 12.377 2.917 1.00 0.00 N ATOM 1002 CA GLY A 67 1.659 11.531 3.582 1.00 0.00 C ATOM 1003 C GLY A 67 0.707 10.866 2.608 1.00 0.00 C ATOM 1004 O GLY A 67 -0.337 10.350 3.005 1.00 0.00 O ATOM 0 H GLY A 67 3.381 11.875 2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.180 10.765 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.088 12.129 4.292 1.00 0.00 H new ATOM 1008 N ARG A 68 1.069 10.877 1.329 1.00 0.00 N ATOM 1009 CA ARG A 68 0.237 10.272 0.295 1.00 0.00 C ATOM 1010 C ARG A 68 1.076 9.887 -0.921 1.00 0.00 C ATOM 1011 O ARG A 68 2.110 10.498 -1.192 1.00 0.00 O ATOM 1012 CB ARG A 68 -0.874 11.236 -0.124 1.00 0.00 C ATOM 1013 CG ARG A 68 -0.396 12.665 -0.329 1.00 0.00 C ATOM 1014 CD ARG A 68 -1.557 13.607 -0.606 1.00 0.00 C ATOM 1015 NE ARG A 68 -1.172 14.707 -1.486 1.00 0.00 N ATOM 1016 CZ ARG A 68 -1.925 15.781 -1.691 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -3.097 15.900 -1.083 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -1.506 16.741 -2.506 1.00 0.00 N ATOM 0 H ARG A 68 1.932 11.298 0.984 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.212 9.368 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.325 10.877 -1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.655 11.229 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.142 13.000 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.308 12.699 -1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.376 13.049 -1.060 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.930 14.010 0.336 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.276 14.647 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.423 15.165 -0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.673 16.727 -1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.605 16.654 -2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.085 17.566 -2.663 1.00 0.00 H new ATOM 1032 N ILE A 69 0.623 8.871 -1.646 1.00 0.00 N ATOM 1033 CA ILE A 69 1.331 8.404 -2.832 1.00 0.00 C ATOM 1034 C ILE A 69 0.477 8.572 -4.084 1.00 0.00 C ATOM 1035 O ILE A 69 -0.684 8.164 -4.115 1.00 0.00 O ATOM 1036 CB ILE A 69 1.741 6.926 -2.699 1.00 0.00 C ATOM 1037 CG1 ILE A 69 2.444 6.688 -1.361 1.00 0.00 C ATOM 1038 CG2 ILE A 69 2.641 6.518 -3.856 1.00 0.00 C ATOM 1039 CD1 ILE A 69 2.944 5.271 -1.184 1.00 0.00 C ATOM 0 H ILE A 69 -0.231 8.355 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 69 2.229 9.014 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 69 0.841 6.311 -2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.286 7.375 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.755 6.925 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.922 5.470 -3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.108 6.655 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.539 7.136 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.431 5.176 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.103 4.579 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.658 5.036 -1.973 1.00 0.00 H new ATOM 1051 N SER A 70 1.060 9.174 -5.115 1.00 0.00 N ATOM 1052 CA SER A 70 0.352 9.397 -6.371 1.00 0.00 C ATOM 1053 C SER A 70 0.599 8.250 -7.345 1.00 0.00 C ATOM 1054 O SER A 70 1.404 7.358 -7.081 1.00 0.00 O ATOM 1055 CB SER A 70 0.792 10.720 -7.000 1.00 0.00 C ATOM 1056 OG SER A 70 1.993 10.560 -7.735 1.00 0.00 O ATOM 0 H SER A 70 2.021 9.516 -5.106 1.00 0.00 H new ATOM 0 HA SER A 70 -0.715 9.443 -6.155 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.007 11.093 -7.657 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.936 11.467 -6.220 1.00 0.00 H new ATOM 0 HG SER A 70 2.253 11.419 -8.129 1.00 0.00 H new ATOM 1062 N PHE A 71 -0.100 8.281 -8.475 1.00 0.00 N ATOM 1063 CA PHE A 71 0.040 7.244 -9.490 1.00 0.00 C ATOM 1064 C PHE A 71 1.502 7.073 -9.895 1.00 0.00 C ATOM 1065 O PHE A 71 2.065 5.985 -9.781 1.00 0.00 O ATOM 1066 CB PHE A 71 -0.804 7.586 -10.720 1.00 0.00 C ATOM 1067 CG PHE A 71 -2.247 7.191 -10.585 1.00 0.00 C ATOM 1068 CD1 PHE A 71 -2.927 7.397 -9.396 1.00 0.00 C ATOM 1069 CD2 PHE A 71 -2.922 6.611 -11.647 1.00 0.00 C ATOM 1070 CE1 PHE A 71 -4.255 7.035 -9.269 1.00 0.00 C ATOM 1071 CE2 PHE A 71 -4.250 6.247 -11.525 1.00 0.00 C ATOM 1072 CZ PHE A 71 -4.917 6.459 -10.334 1.00 0.00 C ATOM 0 H PHE A 71 -0.769 9.014 -8.711 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.314 6.305 -9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.745 8.659 -10.905 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.379 7.089 -11.592 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.414 7.846 -8.558 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.405 6.441 -12.580 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.774 7.203 -8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.766 5.797 -12.360 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.954 6.175 -10.237 1.00 0.00 H new ATOM 1082 N ASP A 72 2.109 8.158 -10.366 1.00 0.00 N ATOM 1083 CA ASP A 72 3.505 8.129 -10.787 1.00 0.00 C ATOM 1084 C ASP A 72 4.399 7.600 -9.670 1.00 0.00 C ATOM 1085 O ASP A 72 5.322 6.825 -9.915 1.00 0.00 O ATOM 1086 CB ASP A 72 3.962 9.528 -11.204 1.00 0.00 C ATOM 1087 CG ASP A 72 3.463 9.914 -12.581 1.00 0.00 C ATOM 1088 OD1 ASP A 72 4.096 9.507 -13.578 1.00 0.00 O ATOM 1089 OD2 ASP A 72 2.437 10.623 -12.663 1.00 0.00 O ATOM 0 H ASP A 72 1.657 9.067 -10.466 1.00 0.00 H new ATOM 0 HA ASP A 72 3.588 7.458 -11.642 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.606 10.256 -10.475 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.051 9.570 -11.191 1.00 0.00 H new ATOM 1094 N GLU A 73 4.118 8.025 -8.442 1.00 0.00 N ATOM 1095 CA GLU A 73 4.898 7.596 -7.288 1.00 0.00 C ATOM 1096 C GLU A 73 4.917 6.073 -7.180 1.00 0.00 C ATOM 1097 O GLU A 73 5.973 5.446 -7.270 1.00 0.00 O ATOM 1098 CB GLU A 73 4.328 8.201 -6.004 1.00 0.00 C ATOM 1099 CG GLU A 73 4.806 9.618 -5.735 1.00 0.00 C ATOM 1100 CD GLU A 73 4.297 10.165 -4.415 1.00 0.00 C ATOM 1101 OE1 GLU A 73 3.768 11.296 -4.406 1.00 0.00 O ATOM 1102 OE2 GLU A 73 4.430 9.462 -3.391 1.00 0.00 O ATOM 0 H GLU A 73 3.356 8.666 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 73 5.921 7.947 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.240 8.199 -6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.603 7.568 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.896 9.636 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.476 10.269 -6.545 1.00 0.00 H new ATOM 1109 N PHE A 74 3.741 5.485 -6.987 1.00 0.00 N ATOM 1110 CA PHE A 74 3.621 4.037 -6.866 1.00 0.00 C ATOM 1111 C PHE A 74 4.210 3.338 -8.088 1.00 0.00 C ATOM 1112 O PHE A 74 5.095 2.491 -7.965 1.00 0.00 O ATOM 1113 CB PHE A 74 2.154 3.638 -6.694 1.00 0.00 C ATOM 1114 CG PHE A 74 1.866 2.963 -5.383 1.00 0.00 C ATOM 1115 CD1 PHE A 74 2.608 1.865 -4.977 1.00 0.00 C ATOM 1116 CD2 PHE A 74 0.853 3.424 -4.559 1.00 0.00 C ATOM 1117 CE1 PHE A 74 2.347 1.242 -3.772 1.00 0.00 C ATOM 1118 CE2 PHE A 74 0.587 2.806 -3.352 1.00 0.00 C ATOM 1119 CZ PHE A 74 1.334 1.711 -2.958 1.00 0.00 C ATOM 0 H PHE A 74 2.858 5.989 -6.911 1.00 0.00 H new ATOM 0 HA PHE A 74 4.181 3.724 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.531 4.528 -6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.870 2.971 -7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.400 1.492 -5.610 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.264 4.277 -4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.934 0.389 -3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.204 3.178 -2.717 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.126 1.224 -2.017 1.00 0.00 H new ATOM 1129 N ILE A 75 3.710 3.698 -9.266 1.00 0.00 N ATOM 1130 CA ILE A 75 4.187 3.107 -10.510 1.00 0.00 C ATOM 1131 C ILE A 75 5.707 3.175 -10.604 1.00 0.00 C ATOM 1132 O ILE A 75 6.358 2.219 -11.027 1.00 0.00 O ATOM 1133 CB ILE A 75 3.575 3.808 -11.737 1.00 0.00 C ATOM 1134 CG1 ILE A 75 2.047 3.755 -11.673 1.00 0.00 C ATOM 1135 CG2 ILE A 75 4.079 3.166 -13.020 1.00 0.00 C ATOM 1136 CD1 ILE A 75 1.369 4.756 -12.582 1.00 0.00 C ATOM 0 H ILE A 75 2.975 4.396 -9.384 1.00 0.00 H new ATOM 0 HA ILE A 75 3.873 2.063 -10.504 1.00 0.00 H new ATOM 0 HB ILE A 75 3.884 4.853 -11.731 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.715 2.752 -11.939 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.728 3.934 -10.646 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.637 3.673 -13.878 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.165 3.251 -13.067 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.797 2.113 -13.035 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.287 4.662 -12.485 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.672 5.765 -12.302 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.658 4.564 -13.615 1.00 0.00 H new ATOM 1148 N LYS A 76 6.269 4.312 -10.207 1.00 0.00 N ATOM 1149 CA LYS A 76 7.713 4.506 -10.243 1.00 0.00 C ATOM 1150 C LYS A 76 8.422 3.480 -9.366 1.00 0.00 C ATOM 1151 O LYS A 76 9.387 2.846 -9.793 1.00 0.00 O ATOM 1152 CB LYS A 76 8.070 5.921 -9.782 1.00 0.00 C ATOM 1153 CG LYS A 76 8.051 6.948 -10.901 1.00 0.00 C ATOM 1154 CD LYS A 76 9.238 6.777 -11.833 1.00 0.00 C ATOM 1155 CE LYS A 76 10.483 7.458 -11.283 1.00 0.00 C ATOM 1156 NZ LYS A 76 10.314 8.935 -11.195 1.00 0.00 N ATOM 0 H LYS A 76 5.745 5.114 -9.856 1.00 0.00 H new ATOM 0 HA LYS A 76 8.047 4.371 -11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.369 6.229 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.062 5.907 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.125 6.853 -11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.063 7.952 -10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.437 5.715 -11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.997 7.193 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.709 7.059 -10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.335 7.227 -11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.246 9.394 -11.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.731 9.266 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.846 9.178 -10.299 1.00 0.00 H new ATOM 1170 N ILE A 77 7.936 3.321 -8.139 1.00 0.00 N ATOM 1171 CA ILE A 77 8.523 2.370 -7.203 1.00 0.00 C ATOM 1172 C ILE A 77 8.441 0.945 -7.743 1.00 0.00 C ATOM 1173 O ILE A 77 9.316 0.119 -7.482 1.00 0.00 O ATOM 1174 CB ILE A 77 7.826 2.427 -5.831 1.00 0.00 C ATOM 1175 CG1 ILE A 77 8.457 3.516 -4.959 1.00 0.00 C ATOM 1176 CG2 ILE A 77 7.906 1.075 -5.139 1.00 0.00 C ATOM 1177 CD1 ILE A 77 8.136 4.920 -5.421 1.00 0.00 C ATOM 0 H ILE A 77 7.138 3.838 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 77 9.569 2.651 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 77 6.775 2.673 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.113 3.392 -3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.539 3.383 -4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.409 1.132 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.415 0.321 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.951 0.801 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.615 5.640 -4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.504 5.062 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.057 5.072 -5.402 1.00 0.00 H new ATOM 1189 N PHE A 78 7.384 0.665 -8.498 1.00 0.00 N ATOM 1190 CA PHE A 78 7.188 -0.659 -9.077 1.00 0.00 C ATOM 1191 C PHE A 78 8.202 -0.924 -10.185 1.00 0.00 C ATOM 1192 O PHE A 78 8.744 -2.025 -10.297 1.00 0.00 O ATOM 1193 CB PHE A 78 5.767 -0.792 -9.628 1.00 0.00 C ATOM 1194 CG PHE A 78 4.810 -1.442 -8.669 1.00 0.00 C ATOM 1195 CD1 PHE A 78 4.914 -1.215 -7.306 1.00 0.00 C ATOM 1196 CD2 PHE A 78 3.809 -2.282 -9.131 1.00 0.00 C ATOM 1197 CE1 PHE A 78 4.035 -1.812 -6.421 1.00 0.00 C ATOM 1198 CE2 PHE A 78 2.927 -2.880 -8.251 1.00 0.00 C ATOM 1199 CZ PHE A 78 3.042 -2.646 -6.894 1.00 0.00 C ATOM 0 H PHE A 78 6.650 1.337 -8.723 1.00 0.00 H new ATOM 0 HA PHE A 78 7.336 -1.398 -8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.392 0.198 -9.887 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.796 -1.373 -10.550 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.690 -0.565 -6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.717 -2.471 -10.190 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.125 -1.626 -5.361 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.149 -3.530 -8.624 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.356 -3.115 -6.204 1.00 0.00 H new ATOM 1209 N HIS A 79 8.455 0.092 -11.004 1.00 0.00 N ATOM 1210 CA HIS A 79 9.403 -0.030 -12.105 1.00 0.00 C ATOM 1211 C HIS A 79 10.825 0.252 -11.630 1.00 0.00 C ATOM 1212 O HIS A 79 11.791 0.020 -12.356 1.00 0.00 O ATOM 1213 CB HIS A 79 9.031 0.927 -13.237 1.00 0.00 C ATOM 1214 CG HIS A 79 8.416 0.246 -14.420 1.00 0.00 C ATOM 1215 ND1 HIS A 79 9.038 0.161 -15.647 1.00 0.00 N ATOM 1216 CD2 HIS A 79 7.226 -0.385 -14.558 1.00 0.00 C ATOM 1217 CE1 HIS A 79 8.258 -0.493 -16.490 1.00 0.00 C ATOM 1218 NE2 HIS A 79 7.152 -0.836 -15.854 1.00 0.00 N ATOM 0 H HIS A 79 8.016 1.009 -10.926 1.00 0.00 H new ATOM 0 HA HIS A 79 9.359 -1.053 -12.478 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.335 1.674 -12.856 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.925 1.460 -13.560 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.475 -0.510 -13.792 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.486 -0.710 -17.523 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.371 -1.352 -16.259 1.00 0.00 H new ATOM 1226 N GLY A 80 10.946 0.758 -10.406 1.00 0.00 N ATOM 1227 CA GLY A 80 12.253 1.065 -9.856 1.00 0.00 C ATOM 1228 C GLY A 80 12.789 -0.048 -8.977 1.00 0.00 C ATOM 1229 O GLY A 80 13.901 -0.535 -9.189 1.00 0.00 O ATOM 0 H GLY A 80 10.162 0.961 -9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.953 1.249 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.192 1.985 -9.275 1.00 0.00 H new ATOM 1233 N LEU A 81 11.999 -0.452 -7.989 1.00 0.00 N ATOM 1234 CA LEU A 81 12.401 -1.514 -7.073 1.00 0.00 C ATOM 1235 C LEU A 81 12.550 -2.841 -7.811 1.00 0.00 C ATOM 1236 O LEU A 81 12.062 -3.000 -8.930 1.00 0.00 O ATOM 1237 CB LEU A 81 11.378 -1.657 -5.945 1.00 0.00 C ATOM 1238 CG LEU A 81 11.430 -0.588 -4.853 1.00 0.00 C ATOM 1239 CD1 LEU A 81 10.373 -0.858 -3.793 1.00 0.00 C ATOM 1240 CD2 LEU A 81 12.815 -0.534 -4.227 1.00 0.00 C ATOM 0 H LEU A 81 11.076 -0.060 -7.801 1.00 0.00 H new ATOM 0 HA LEU A 81 13.367 -1.245 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.380 -1.652 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.516 -2.632 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 81 11.221 0.381 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.424 -0.088 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.385 -0.846 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.551 -1.834 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.834 0.232 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.053 -1.502 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.552 -0.293 -4.994 1.00 0.00 H new ATOM 1252 N LYS A 82 13.226 -3.792 -7.176 1.00 0.00 N ATOM 1253 CA LYS A 82 13.436 -5.108 -7.769 1.00 0.00 C ATOM 1254 C LYS A 82 12.320 -6.069 -7.373 1.00 0.00 C ATOM 1255 O LYS A 82 12.568 -7.097 -6.744 1.00 0.00 O ATOM 1256 CB LYS A 82 14.790 -5.675 -7.334 1.00 0.00 C ATOM 1257 CG LYS A 82 15.954 -5.187 -8.180 1.00 0.00 C ATOM 1258 CD LYS A 82 16.505 -3.870 -7.663 1.00 0.00 C ATOM 1259 CE LYS A 82 17.500 -4.087 -6.533 1.00 0.00 C ATOM 1260 NZ LYS A 82 17.726 -2.844 -5.745 1.00 0.00 N ATOM 0 H LYS A 82 13.638 -3.676 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 82 13.426 -4.996 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.970 -5.405 -6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.750 -6.763 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.744 -5.938 -8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.628 -5.066 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.990 -3.332 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.685 -3.244 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.134 -4.873 -5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.448 -4.433 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.410 -3.034 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.100 -2.101 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.826 -2.528 -5.330 1.00 0.00 H new ATOM 1274 N SER A 83 11.091 -5.726 -7.747 1.00 0.00 N ATOM 1275 CA SER A 83 9.936 -6.558 -7.428 1.00 0.00 C ATOM 1276 C SER A 83 9.898 -6.887 -5.939 1.00 0.00 C ATOM 1277 O SER A 83 9.782 -8.050 -5.550 1.00 0.00 O ATOM 1278 CB SER A 83 9.971 -7.851 -8.247 1.00 0.00 C ATOM 1279 OG SER A 83 9.536 -7.623 -9.577 1.00 0.00 O ATOM 0 H SER A 83 10.870 -4.879 -8.270 1.00 0.00 H new ATOM 0 HA SER A 83 9.035 -5.999 -7.682 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.984 -8.252 -8.256 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.335 -8.601 -7.776 1.00 0.00 H new ATOM 0 HG SER A 83 9.569 -8.463 -10.081 1.00 0.00 H new ATOM 1285 N THR A 84 9.998 -5.854 -5.108 1.00 0.00 N ATOM 1286 CA THR A 84 9.976 -6.032 -3.661 1.00 0.00 C ATOM 1287 C THR A 84 8.711 -6.756 -3.216 1.00 0.00 C ATOM 1288 O THR A 84 7.721 -6.805 -3.947 1.00 0.00 O ATOM 1289 CB THR A 84 10.066 -4.680 -2.929 1.00 0.00 C ATOM 1290 OG1 THR A 84 10.996 -3.821 -3.598 1.00 0.00 O ATOM 1291 CG2 THR A 84 10.499 -4.877 -1.483 1.00 0.00 C ATOM 0 H THR A 84 10.095 -4.885 -5.412 1.00 0.00 H new ATOM 0 HA THR A 84 10.846 -6.636 -3.402 1.00 0.00 H new ATOM 0 HB THR A 84 9.078 -4.220 -2.937 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.627 -3.451 -2.946 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.556 -3.909 -0.985 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.774 -5.507 -0.969 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.478 -5.356 -1.458 1.00 0.00 H new ATOM 1299 N ASP A 85 8.749 -7.316 -2.011 1.00 0.00 N ATOM 1300 CA ASP A 85 7.603 -8.036 -1.467 1.00 0.00 C ATOM 1301 C ASP A 85 6.367 -7.142 -1.429 1.00 0.00 C ATOM 1302 O ASP A 85 5.273 -7.563 -1.803 1.00 0.00 O ATOM 1303 CB ASP A 85 7.919 -8.551 -0.062 1.00 0.00 C ATOM 1304 CG ASP A 85 7.522 -10.002 0.126 1.00 0.00 C ATOM 1305 OD1 ASP A 85 6.393 -10.252 0.599 1.00 0.00 O ATOM 1306 OD2 ASP A 85 8.338 -10.888 -0.202 1.00 0.00 O ATOM 0 H ASP A 85 9.560 -7.285 -1.393 1.00 0.00 H new ATOM 0 HA ASP A 85 7.395 -8.884 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.986 -8.442 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.398 -7.937 0.673 1.00 0.00 H new ATOM 1311 N VAL A 86 6.550 -5.907 -0.974 1.00 0.00 N ATOM 1312 CA VAL A 86 5.451 -4.954 -0.885 1.00 0.00 C ATOM 1313 C VAL A 86 4.780 -4.763 -2.242 1.00 0.00 C ATOM 1314 O VAL A 86 3.561 -4.616 -2.327 1.00 0.00 O ATOM 1315 CB VAL A 86 5.933 -3.586 -0.367 1.00 0.00 C ATOM 1316 CG1 VAL A 86 6.450 -3.708 1.059 1.00 0.00 C ATOM 1317 CG2 VAL A 86 7.005 -3.017 -1.285 1.00 0.00 C ATOM 0 H VAL A 86 7.450 -5.543 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 86 4.730 -5.367 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 86 5.087 -2.898 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.786 -2.732 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.651 -4.070 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.284 -4.410 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.334 -2.050 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.853 -3.701 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.596 -2.892 -2.288 1.00 0.00 H new ATOM 1327 N ALA A 87 5.584 -4.768 -3.299 1.00 0.00 N ATOM 1328 CA ALA A 87 5.068 -4.597 -4.652 1.00 0.00 C ATOM 1329 C ALA A 87 4.138 -5.744 -5.033 1.00 0.00 C ATOM 1330 O ALA A 87 2.974 -5.527 -5.370 1.00 0.00 O ATOM 1331 CB ALA A 87 6.215 -4.494 -5.646 1.00 0.00 C ATOM 0 H ALA A 87 6.595 -4.889 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 87 4.493 -3.671 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.815 -4.367 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.840 -3.637 -5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.814 -5.404 -5.606 1.00 0.00 H new ATOM 1337 N LYS A 88 4.659 -6.965 -4.978 1.00 0.00 N ATOM 1338 CA LYS A 88 3.875 -8.147 -5.316 1.00 0.00 C ATOM 1339 C LYS A 88 2.628 -8.242 -4.444 1.00 0.00 C ATOM 1340 O LYS A 88 1.554 -8.618 -4.915 1.00 0.00 O ATOM 1341 CB LYS A 88 4.723 -9.411 -5.151 1.00 0.00 C ATOM 1342 CG LYS A 88 4.524 -10.106 -3.816 1.00 0.00 C ATOM 1343 CD LYS A 88 5.475 -11.280 -3.652 1.00 0.00 C ATOM 1344 CE LYS A 88 5.287 -12.309 -4.756 1.00 0.00 C ATOM 1345 NZ LYS A 88 5.662 -13.678 -4.307 1.00 0.00 N ATOM 0 H LYS A 88 5.621 -7.162 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 88 3.563 -8.059 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.481 -10.108 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.775 -9.150 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.681 -9.393 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.495 -10.456 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.504 -10.920 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.310 -11.751 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.247 -12.306 -5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.893 -12.031 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.520 -14.350 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.661 -13.687 -4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.067 -13.954 -3.500 1.00 0.00 H new ATOM 1359 N THR A 89 2.776 -7.896 -3.169 1.00 0.00 N ATOM 1360 CA THR A 89 1.662 -7.942 -2.230 1.00 0.00 C ATOM 1361 C THR A 89 0.579 -6.941 -2.614 1.00 0.00 C ATOM 1362 O THR A 89 -0.614 -7.225 -2.495 1.00 0.00 O ATOM 1363 CB THR A 89 2.127 -7.650 -0.791 1.00 0.00 C ATOM 1364 OG1 THR A 89 3.096 -8.624 -0.383 1.00 0.00 O ATOM 1365 CG2 THR A 89 0.949 -7.665 0.172 1.00 0.00 C ATOM 0 H THR A 89 3.657 -7.581 -2.763 1.00 0.00 H new ATOM 0 HA THR A 89 1.253 -8.952 -2.274 1.00 0.00 H new ATOM 0 HB THR A 89 2.578 -6.658 -0.772 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.965 -8.408 -0.782 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.302 -7.456 1.182 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.227 -6.904 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.473 -8.645 0.149 1.00 0.00 H new ATOM 1373 N PHE A 90 0.999 -5.768 -3.077 1.00 0.00 N ATOM 1374 CA PHE A 90 0.064 -4.723 -3.477 1.00 0.00 C ATOM 1375 C PHE A 90 -0.731 -5.150 -4.708 1.00 0.00 C ATOM 1376 O PHE A 90 -1.959 -5.228 -4.671 1.00 0.00 O ATOM 1377 CB PHE A 90 0.813 -3.422 -3.766 1.00 0.00 C ATOM 1378 CG PHE A 90 -0.025 -2.389 -4.464 1.00 0.00 C ATOM 1379 CD1 PHE A 90 -0.125 -2.377 -5.846 1.00 0.00 C ATOM 1380 CD2 PHE A 90 -0.712 -1.430 -3.738 1.00 0.00 C ATOM 1381 CE1 PHE A 90 -0.896 -1.429 -6.491 1.00 0.00 C ATOM 1382 CE2 PHE A 90 -1.485 -0.479 -4.378 1.00 0.00 C ATOM 1383 CZ PHE A 90 -1.577 -0.478 -5.756 1.00 0.00 C ATOM 0 H PHE A 90 1.982 -5.517 -3.184 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.632 -4.557 -2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.179 -3.007 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.687 -3.644 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.406 -3.117 -6.426 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.643 -1.425 -2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.966 -1.431 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.017 0.263 -3.801 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.180 0.264 -6.258 1.00 0.00 H new ATOM 1393 N ARG A 91 -0.022 -5.422 -5.799 1.00 0.00 N ATOM 1394 CA ARG A 91 -0.659 -5.838 -7.042 1.00 0.00 C ATOM 1395 C ARG A 91 -1.605 -7.011 -6.801 1.00 0.00 C ATOM 1396 O ARG A 91 -2.719 -7.042 -7.326 1.00 0.00 O ATOM 1397 CB ARG A 91 0.398 -6.225 -8.078 1.00 0.00 C ATOM 1398 CG ARG A 91 0.252 -5.490 -9.400 1.00 0.00 C ATOM 1399 CD ARG A 91 1.513 -5.607 -10.243 1.00 0.00 C ATOM 1400 NE ARG A 91 1.388 -4.897 -11.514 1.00 0.00 N ATOM 1401 CZ ARG A 91 0.786 -5.404 -12.583 1.00 0.00 C ATOM 1402 NH1 ARG A 91 0.254 -6.619 -12.535 1.00 0.00 N ATOM 1403 NH2 ARG A 91 0.713 -4.698 -13.704 1.00 0.00 N ATOM 0 H ARG A 91 0.995 -5.361 -5.847 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.239 -4.998 -7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.388 -6.024 -7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.340 -7.298 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.595 -5.896 -9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.035 -4.439 -9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.360 -5.207 -9.686 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.725 -6.659 -10.434 1.00 0.00 H new ATOM 0 HE ARG A 91 1.785 -3.960 -11.584 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.307 -7.165 -11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.208 -7.006 -13.358 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.120 -3.764 -13.746 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.250 -5.090 -14.524 1.00 0.00 H new ATOM 1417 N LYS A 92 -1.154 -7.974 -6.005 1.00 0.00 N ATOM 1418 CA LYS A 92 -1.959 -9.150 -5.694 1.00 0.00 C ATOM 1419 C LYS A 92 -3.154 -8.775 -4.822 1.00 0.00 C ATOM 1420 O LYS A 92 -4.305 -8.932 -5.229 1.00 0.00 O ATOM 1421 CB LYS A 92 -1.107 -10.203 -4.984 1.00 0.00 C ATOM 1422 CG LYS A 92 -0.269 -11.046 -5.930 1.00 0.00 C ATOM 1423 CD LYS A 92 0.139 -12.363 -5.291 1.00 0.00 C ATOM 1424 CE LYS A 92 1.153 -12.152 -4.177 1.00 0.00 C ATOM 1425 NZ LYS A 92 1.553 -13.436 -3.540 1.00 0.00 N ATOM 0 H LYS A 92 -0.235 -7.964 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.330 -9.564 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.447 -9.705 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.760 -10.859 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.834 -11.242 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.622 -10.490 -6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.743 -12.863 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.562 -13.021 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.036 -11.656 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.730 -11.489 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.245 -13.249 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.715 -13.898 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.980 -14.060 -4.254 1.00 0.00 H new ATOM 1439 N ALA A 93 -2.872 -8.279 -3.622 1.00 0.00 N ATOM 1440 CA ALA A 93 -3.923 -7.879 -2.695 1.00 0.00 C ATOM 1441 C ALA A 93 -4.947 -6.981 -3.380 1.00 0.00 C ATOM 1442 O ALA A 93 -6.141 -7.284 -3.397 1.00 0.00 O ATOM 1443 CB ALA A 93 -3.323 -7.173 -1.488 1.00 0.00 C ATOM 0 H ALA A 93 -1.924 -8.145 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.436 -8.779 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.120 -6.880 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.636 -7.847 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.783 -6.285 -1.817 1.00 0.00 H new ATOM 1449 N ILE A 94 -4.473 -5.874 -3.942 1.00 0.00 N ATOM 1450 CA ILE A 94 -5.349 -4.932 -4.630 1.00 0.00 C ATOM 1451 C ILE A 94 -6.150 -5.626 -5.726 1.00 0.00 C ATOM 1452 O ILE A 94 -7.244 -5.188 -6.079 1.00 0.00 O ATOM 1453 CB ILE A 94 -4.550 -3.771 -5.249 1.00 0.00 C ATOM 1454 CG1 ILE A 94 -5.288 -2.447 -5.044 1.00 0.00 C ATOM 1455 CG2 ILE A 94 -4.309 -4.024 -6.730 1.00 0.00 C ATOM 1456 CD1 ILE A 94 -4.510 -1.440 -4.226 1.00 0.00 C ATOM 0 H ILE A 94 -3.489 -5.607 -3.935 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.034 -4.533 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.584 -3.708 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.516 -2.013 -6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.240 -2.644 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.743 -3.194 -7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.745 -4.949 -6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.266 -4.110 -7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.095 -0.526 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.305 -1.854 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.569 -1.213 -4.727 1.00 0.00 H new ATOM 1468 N ASN A 95 -5.597 -6.710 -6.260 1.00 0.00 N ATOM 1469 CA ASN A 95 -6.261 -7.465 -7.316 1.00 0.00 C ATOM 1470 C ASN A 95 -7.317 -8.401 -6.734 1.00 0.00 C ATOM 1471 O ASN A 95 -8.308 -8.721 -7.391 1.00 0.00 O ATOM 1472 CB ASN A 95 -5.236 -8.270 -8.117 1.00 0.00 C ATOM 1473 CG ASN A 95 -4.693 -7.497 -9.304 1.00 0.00 C ATOM 1474 OD1 ASN A 95 -5.283 -6.506 -9.736 1.00 0.00 O ATOM 1475 ND2 ASN A 95 -3.563 -7.947 -9.836 1.00 0.00 N ATOM 0 H ASN A 95 -4.691 -7.085 -5.979 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.756 -6.756 -7.980 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.411 -8.554 -7.464 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.697 -9.193 -8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.149 -7.467 -10.636 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.108 -8.772 -9.445 1.00 0.00 H new ATOM 1482 N LYS A 96 -7.098 -8.834 -5.498 1.00 0.00 N ATOM 1483 CA LYS A 96 -8.031 -9.731 -4.826 1.00 0.00 C ATOM 1484 C LYS A 96 -9.342 -9.018 -4.511 1.00 0.00 C ATOM 1485 O LYS A 96 -10.406 -9.635 -4.485 1.00 0.00 O ATOM 1486 CB LYS A 96 -7.410 -10.271 -3.535 1.00 0.00 C ATOM 1487 CG LYS A 96 -6.111 -11.027 -3.755 1.00 0.00 C ATOM 1488 CD LYS A 96 -6.341 -12.529 -3.804 1.00 0.00 C ATOM 1489 CE LYS A 96 -5.029 -13.290 -3.913 1.00 0.00 C ATOM 1490 NZ LYS A 96 -4.457 -13.603 -2.574 1.00 0.00 N ATOM 0 H LYS A 96 -6.283 -8.579 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.243 -10.563 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.226 -9.439 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.126 -10.931 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.651 -10.698 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.411 -10.791 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.873 -12.846 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.976 -12.773 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.191 -14.216 -4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.313 -12.700 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.563 -14.122 -2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.279 -12.718 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.129 -14.188 -2.037 1.00 0.00 H new ATOM 1504 N LYS A 97 -9.257 -7.713 -4.274 1.00 0.00 N ATOM 1505 CA LYS A 97 -10.437 -6.913 -3.964 1.00 0.00 C ATOM 1506 C LYS A 97 -11.073 -6.367 -5.238 1.00 0.00 C ATOM 1507 O LYS A 97 -12.288 -6.177 -5.270 1.00 0.00 O ATOM 1508 CB LYS A 97 -10.065 -5.760 -3.030 1.00 0.00 C ATOM 1509 CG LYS A 97 -9.694 -6.207 -1.628 1.00 0.00 C ATOM 1510 CD LYS A 97 -10.927 -6.502 -0.791 1.00 0.00 C ATOM 1511 CE LYS A 97 -10.640 -7.546 0.278 1.00 0.00 C ATOM 1512 NZ LYS A 97 -11.769 -7.680 1.239 1.00 0.00 N ATOM 0 H LYS A 97 -8.383 -7.187 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.162 -7.556 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.228 -5.211 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.904 -5.067 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.069 -7.098 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.101 -5.431 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.276 -5.583 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.731 -6.854 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.451 -8.509 -0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.734 -7.273 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.397 -7.913 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.294 -6.783 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.407 -8.438 0.922 1.00 0.00 H new TER 1526 LYS A 97 HETATM 1527 CA CA A 101 -7.809 8.214 -1.707 1.00 0.00 CA HETATM 1528 CA CA A 102 4.812 11.917 -1.590 1.00 0.00 CA