USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 688 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 12 ASN : amide:sc= -2.6! C(o=-4!,f=-15!) USER MOD Set 1.2: A 88 ASN : amide:sc= -1.41! C(o=-4!,f=-15!) USER MOD Set 2.1: A 56 GLN : amide:sc= 0.412 K(o=0.86,f=-0.62) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -143:sc= 0.448 (180deg=0) USER MOD Set 3.1: A 26 MET CE :methyl -171:sc= -0.0894 (180deg=-0.261) USER MOD Set 3.2: A 27 SER OG : rot 180:sc= 0.0337 USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= -0.0681 USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= -1.75! USER MOD Set 5.1: A 10 THR OG1 : rot 96:sc= 0.839 USER MOD Set 5.2: A 49 GLN : amide:sc= -0.0867 K(o=1.4,f=-0.95) USER MOD Set 5.3: A 80 HIS : no HD1:sc= 0.645 K(o=1.4,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -165:sc= -2.18! USER MOD Single : A 18 MET CE :methyl -114:sc= 0 (180deg=-0.102) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= -0.0999 (180deg=-0.185) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -1.33! (180deg=-3.58!) USER MOD Single : A 22 TYR OH : rot 165:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.479 K(o=-0.48,f=-2.4!) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 1.24 (180deg=1.08) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0.909 (180deg=0.909) USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= 0.735 (180deg=-0.0835!) USER MOD Single : A 41 THR OG1 : rot -104:sc= 1.09 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 158:sc= -0.935 (180deg=-2.98) USER MOD Single : A 62 THR OG1 : rot 177:sc= -0.258 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= -0.112 (180deg=-0.513) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot -133:sc= 1.18 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.899 0.666 -7.564 1.00 0.00 N ATOM 2 CA MET A 1 -20.069 1.919 -6.810 1.00 0.00 C ATOM 3 C MET A 1 -18.926 2.103 -5.817 1.00 0.00 C ATOM 4 O MET A 1 -18.172 3.068 -5.907 1.00 0.00 O ATOM 5 CB MET A 1 -21.429 1.968 -6.093 1.00 0.00 C ATOM 6 CG MET A 1 -21.664 3.254 -5.317 1.00 0.00 C ATOM 7 SD MET A 1 -23.274 3.306 -4.509 1.00 0.00 S ATOM 8 CE MET A 1 -23.182 4.899 -3.691 1.00 0.00 C ATOM 0 H1 MET A 1 -20.685 0.556 -8.236 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.000 0.694 -8.085 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.892 -0.138 -6.904 1.00 0.00 H new ATOM 0 HA MET A 1 -20.046 2.743 -7.523 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.223 1.848 -6.830 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.500 1.123 -5.408 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.883 3.366 -4.565 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.577 4.102 -5.996 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.107 5.081 -3.144 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.343 4.903 -2.996 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.040 5.683 -4.435 1.00 0.00 H new ATOM 18 N THR A 2 -18.796 1.192 -4.879 1.00 0.00 N ATOM 19 CA THR A 2 -17.706 1.236 -3.942 1.00 0.00 C ATOM 20 C THR A 2 -16.526 0.487 -4.553 1.00 0.00 C ATOM 21 O THR A 2 -16.704 -0.601 -5.118 1.00 0.00 O ATOM 22 CB THR A 2 -18.118 0.592 -2.602 1.00 0.00 C ATOM 23 OG1 THR A 2 -19.295 1.258 -2.106 1.00 0.00 O ATOM 24 CG2 THR A 2 -17.004 0.716 -1.567 1.00 0.00 C ATOM 0 H THR A 2 -19.437 0.410 -4.748 1.00 0.00 H new ATOM 0 HA THR A 2 -17.429 2.271 -3.740 1.00 0.00 H new ATOM 0 HB THR A 2 -18.316 -0.466 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.565 0.854 -1.255 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.322 0.254 -0.633 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.109 0.214 -1.934 1.00 0.00 H new ATOM 0 HG23 THR A 2 -16.784 1.769 -1.394 1.00 0.00 H new ATOM 32 N GLU A 3 -15.348 1.043 -4.445 1.00 0.00 N ATOM 33 CA GLU A 3 -14.218 0.472 -5.056 1.00 0.00 C ATOM 34 C GLU A 3 -13.461 -0.316 -4.048 1.00 0.00 C ATOM 35 O GLU A 3 -13.123 0.189 -2.978 1.00 0.00 O ATOM 36 CB GLU A 3 -13.340 1.541 -5.640 1.00 0.00 C ATOM 37 CG GLU A 3 -12.314 0.969 -6.578 1.00 0.00 C ATOM 38 CD GLU A 3 -12.951 0.191 -7.707 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.266 0.799 -8.759 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.177 -1.022 -7.557 1.00 0.00 O ATOM 0 H GLU A 3 -15.164 1.903 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.542 -0.184 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.955 2.266 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.838 2.079 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.709 1.777 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.639 0.317 -6.023 1.00 0.00 H new ATOM 47 N VAL A 4 -13.213 -1.540 -4.360 1.00 0.00 N ATOM 48 CA VAL A 4 -12.485 -2.405 -3.492 1.00 0.00 C ATOM 49 C VAL A 4 -11.365 -3.075 -4.260 1.00 0.00 C ATOM 50 O VAL A 4 -11.523 -3.434 -5.436 1.00 0.00 O ATOM 51 CB VAL A 4 -13.377 -3.475 -2.784 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.372 -2.820 -1.843 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.108 -4.337 -3.795 1.00 0.00 C ATOM 0 H VAL A 4 -13.512 -1.975 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.075 -1.781 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.715 -4.115 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.980 -3.588 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.835 -2.255 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.017 -2.146 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.720 -5.072 -3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.747 -3.708 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.383 -4.852 -4.426 1.00 0.00 H new ATOM 63 N TYR A 5 -10.254 -3.219 -3.627 1.00 0.00 N ATOM 64 CA TYR A 5 -9.089 -3.796 -4.248 1.00 0.00 C ATOM 65 C TYR A 5 -8.591 -4.971 -3.414 1.00 0.00 C ATOM 66 O TYR A 5 -8.639 -4.934 -2.176 1.00 0.00 O ATOM 67 CB TYR A 5 -8.002 -2.722 -4.474 1.00 0.00 C ATOM 68 CG TYR A 5 -7.331 -2.192 -3.229 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.046 -1.657 -2.172 1.00 0.00 C ATOM 70 CD2 TYR A 5 -5.972 -2.234 -3.123 1.00 0.00 C ATOM 71 CE1 TYR A 5 -7.406 -1.200 -1.048 1.00 0.00 C ATOM 72 CE2 TYR A 5 -5.332 -1.773 -2.018 1.00 0.00 C ATOM 73 CZ TYR A 5 -6.038 -1.264 -0.986 1.00 0.00 C ATOM 74 OH TYR A 5 -5.374 -0.836 0.129 1.00 0.00 O ATOM 0 H TYR A 5 -10.116 -2.941 -2.655 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.352 -4.181 -5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.236 -3.140 -5.127 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.452 -1.884 -5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -9.123 -1.598 -2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.392 -2.643 -3.937 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.973 -0.795 -0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -4.254 -1.814 -1.964 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.422 -0.728 -0.078 1.00 0.00 H new ATOM 84 N ASP A 6 -8.168 -6.012 -4.080 1.00 0.00 N ATOM 85 CA ASP A 6 -7.717 -7.228 -3.418 1.00 0.00 C ATOM 86 C ASP A 6 -6.214 -7.249 -3.317 1.00 0.00 C ATOM 87 O ASP A 6 -5.518 -6.994 -4.296 1.00 0.00 O ATOM 88 CB ASP A 6 -8.214 -8.430 -4.175 1.00 0.00 C ATOM 89 CG ASP A 6 -7.920 -9.724 -3.486 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.687 -10.083 -2.570 1.00 0.00 O ATOM 91 OD2 ASP A 6 -6.957 -10.418 -3.875 1.00 0.00 O ATOM 0 H ASP A 6 -8.123 -6.051 -5.098 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.123 -7.253 -2.407 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.290 -8.340 -4.321 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.758 -8.441 -5.165 1.00 0.00 H new ATOM 96 N LEU A 7 -5.727 -7.530 -2.144 1.00 0.00 N ATOM 97 CA LEU A 7 -4.316 -7.487 -1.863 1.00 0.00 C ATOM 98 C LEU A 7 -3.767 -8.758 -1.263 1.00 0.00 C ATOM 99 O LEU A 7 -4.499 -9.555 -0.663 1.00 0.00 O ATOM 100 CB LEU A 7 -4.031 -6.398 -0.866 1.00 0.00 C ATOM 101 CG LEU A 7 -4.261 -4.973 -1.283 1.00 0.00 C ATOM 102 CD1 LEU A 7 -3.904 -4.066 -0.119 1.00 0.00 C ATOM 103 CD2 LEU A 7 -3.420 -4.641 -2.513 1.00 0.00 C ATOM 0 H LEU A 7 -6.301 -7.799 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.839 -7.322 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.640 -6.588 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.989 -6.491 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.308 -4.824 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.065 -3.027 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.533 -4.309 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.857 -4.211 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.596 -3.606 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.364 -4.778 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.699 -5.302 -3.334 1.00 0.00 H new ATOM 115 N GLU A 8 -2.478 -8.943 -1.449 1.00 0.00 N ATOM 116 CA GLU A 8 -1.713 -9.901 -0.692 1.00 0.00 C ATOM 117 C GLU A 8 -0.800 -9.093 0.198 1.00 0.00 C ATOM 118 O GLU A 8 0.011 -8.305 -0.288 1.00 0.00 O ATOM 119 CB GLU A 8 -0.875 -10.836 -1.562 1.00 0.00 C ATOM 120 CG GLU A 8 -0.019 -11.795 -0.728 1.00 0.00 C ATOM 121 CD GLU A 8 0.873 -12.696 -1.541 1.00 0.00 C ATOM 122 OE1 GLU A 8 1.965 -12.253 -1.956 1.00 0.00 O ATOM 123 OE2 GLU A 8 0.516 -13.880 -1.748 1.00 0.00 O ATOM 0 H GLU A 8 -1.930 -8.426 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.395 -10.546 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.534 -11.412 -2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.228 -10.244 -2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.599 -11.212 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.677 -12.411 -0.115 1.00 0.00 H new ATOM 130 N ILE A 9 -0.958 -9.240 1.460 1.00 0.00 N ATOM 131 CA ILE A 9 -0.186 -8.488 2.411 1.00 0.00 C ATOM 132 C ILE A 9 0.974 -9.317 2.907 1.00 0.00 C ATOM 133 O ILE A 9 0.811 -10.503 3.225 1.00 0.00 O ATOM 134 CB ILE A 9 -1.044 -8.078 3.642 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.311 -7.307 3.225 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.219 -7.265 4.644 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.044 -6.021 2.470 1.00 0.00 C ATOM 0 H ILE A 9 -1.627 -9.886 1.878 1.00 0.00 H new ATOM 0 HA ILE A 9 0.169 -7.591 1.903 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.365 -8.998 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.928 -7.956 2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.891 -7.075 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.845 -6.992 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.624 -7.863 4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.152 -6.361 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.991 -5.545 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.455 -5.348 3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.494 -6.243 1.556 1.00 0.00 H new ATOM 149 N THR A 10 2.118 -8.712 2.948 1.00 0.00 N ATOM 150 CA THR A 10 3.282 -9.301 3.522 1.00 0.00 C ATOM 151 C THR A 10 3.841 -8.344 4.530 1.00 0.00 C ATOM 152 O THR A 10 3.519 -7.146 4.522 1.00 0.00 O ATOM 153 CB THR A 10 4.381 -9.629 2.484 1.00 0.00 C ATOM 154 OG1 THR A 10 4.740 -8.461 1.732 1.00 0.00 O ATOM 155 CG2 THR A 10 3.953 -10.732 1.560 1.00 0.00 C ATOM 0 H THR A 10 2.271 -7.775 2.575 1.00 0.00 H new ATOM 0 HA THR A 10 2.982 -10.247 3.973 1.00 0.00 H new ATOM 0 HB THR A 10 5.257 -9.971 3.035 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.533 -8.046 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.749 -10.936 0.844 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.746 -11.632 2.139 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.053 -10.430 1.025 1.00 0.00 H new ATOM 163 N THR A 11 4.633 -8.831 5.392 1.00 0.00 N ATOM 164 CA THR A 11 5.266 -8.032 6.363 1.00 0.00 C ATOM 165 C THR A 11 6.591 -8.681 6.628 1.00 0.00 C ATOM 166 O THR A 11 6.830 -9.804 6.212 1.00 0.00 O ATOM 167 CB THR A 11 4.447 -7.966 7.677 1.00 0.00 C ATOM 168 OG1 THR A 11 3.059 -7.772 7.380 1.00 0.00 O ATOM 169 CG2 THR A 11 4.889 -6.798 8.563 1.00 0.00 C ATOM 0 H THR A 11 4.869 -9.822 5.448 1.00 0.00 H new ATOM 0 HA THR A 11 5.367 -7.007 6.005 1.00 0.00 H new ATOM 0 HB THR A 11 4.614 -8.907 8.201 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.548 -7.733 8.215 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.291 -6.786 9.474 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.942 -6.915 8.821 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.749 -5.860 8.025 1.00 0.00 H new ATOM 177 N ASN A 12 7.420 -7.992 7.258 1.00 0.00 N ATOM 178 CA ASN A 12 8.721 -8.471 7.602 1.00 0.00 C ATOM 179 C ASN A 12 8.651 -9.253 8.893 1.00 0.00 C ATOM 180 O ASN A 12 9.365 -10.225 9.085 1.00 0.00 O ATOM 181 CB ASN A 12 9.693 -7.300 7.747 1.00 0.00 C ATOM 182 CG ASN A 12 9.321 -6.303 8.850 1.00 0.00 C ATOM 183 OD1 ASN A 12 8.144 -6.075 9.148 1.00 0.00 O ATOM 184 ND2 ASN A 12 10.308 -5.708 9.453 1.00 0.00 N ATOM 0 H ASN A 12 7.234 -7.040 7.574 1.00 0.00 H new ATOM 0 HA ASN A 12 9.081 -9.125 6.808 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.689 -7.693 7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.748 -6.769 6.797 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.120 -5.033 10.194 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.270 -5.917 9.185 1.00 0.00 H new ATOM 191 N ALA A 13 7.753 -8.825 9.767 1.00 0.00 N ATOM 192 CA ALA A 13 7.574 -9.443 11.062 1.00 0.00 C ATOM 193 C ALA A 13 6.828 -10.762 10.947 1.00 0.00 C ATOM 194 O ALA A 13 7.043 -11.675 11.735 1.00 0.00 O ATOM 195 CB ALA A 13 6.849 -8.494 12.007 1.00 0.00 C ATOM 0 H ALA A 13 7.129 -8.037 9.593 1.00 0.00 H new ATOM 0 HA ALA A 13 8.561 -9.657 11.472 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.722 -8.974 12.977 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.434 -7.582 12.127 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.871 -8.246 11.594 1.00 0.00 H new ATOM 201 N THR A 14 5.962 -10.858 9.974 1.00 0.00 N ATOM 202 CA THR A 14 5.200 -12.050 9.758 1.00 0.00 C ATOM 203 C THR A 14 5.739 -12.792 8.545 1.00 0.00 C ATOM 204 O THR A 14 6.247 -12.176 7.607 1.00 0.00 O ATOM 205 CB THR A 14 3.706 -11.703 9.551 1.00 0.00 C ATOM 206 OG1 THR A 14 3.589 -10.735 8.503 1.00 0.00 O ATOM 207 CG2 THR A 14 3.093 -11.142 10.827 1.00 0.00 C ATOM 0 H THR A 14 5.768 -10.109 9.310 1.00 0.00 H new ATOM 0 HA THR A 14 5.288 -12.690 10.636 1.00 0.00 H new ATOM 0 HB THR A 14 3.171 -12.615 9.285 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.644 -10.513 8.367 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.043 -10.907 10.653 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.172 -11.881 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.624 -10.236 11.118 1.00 0.00 H new ATOM 215 N ASP A 15 5.665 -14.093 8.566 1.00 0.00 N ATOM 216 CA ASP A 15 6.125 -14.887 7.434 1.00 0.00 C ATOM 217 C ASP A 15 4.913 -15.541 6.765 1.00 0.00 C ATOM 218 O ASP A 15 5.019 -16.467 5.957 1.00 0.00 O ATOM 219 CB ASP A 15 7.173 -15.923 7.893 1.00 0.00 C ATOM 220 CG ASP A 15 7.795 -16.701 6.744 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.430 -16.075 5.856 1.00 0.00 O ATOM 222 OD2 ASP A 15 7.682 -17.945 6.718 1.00 0.00 O ATOM 0 H ASP A 15 5.294 -14.636 9.346 1.00 0.00 H new ATOM 0 HA ASP A 15 6.618 -14.250 6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.962 -15.411 8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.703 -16.623 8.584 1.00 0.00 H new ATOM 227 N PHE A 16 3.759 -15.017 7.086 1.00 0.00 N ATOM 228 CA PHE A 16 2.518 -15.498 6.541 1.00 0.00 C ATOM 229 C PHE A 16 1.849 -14.407 5.709 1.00 0.00 C ATOM 230 O PHE A 16 1.428 -13.382 6.248 1.00 0.00 O ATOM 231 CB PHE A 16 1.582 -15.972 7.666 1.00 0.00 C ATOM 232 CG PHE A 16 0.233 -16.459 7.193 1.00 0.00 C ATOM 233 CD1 PHE A 16 0.094 -17.703 6.602 1.00 0.00 C ATOM 234 CD2 PHE A 16 -0.897 -15.663 7.337 1.00 0.00 C ATOM 235 CE1 PHE A 16 -1.138 -18.143 6.164 1.00 0.00 C ATOM 236 CE2 PHE A 16 -2.128 -16.099 6.901 1.00 0.00 C ATOM 237 CZ PHE A 16 -2.249 -17.340 6.313 1.00 0.00 C ATOM 0 H PHE A 16 3.654 -14.239 7.737 1.00 0.00 H new ATOM 0 HA PHE A 16 2.729 -16.348 5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.072 -16.776 8.215 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.433 -15.151 8.368 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.960 -18.337 6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.808 -14.690 7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.232 -19.116 5.705 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.998 -15.470 7.019 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.214 -17.683 5.969 1.00 0.00 H new ATOM 247 N PRO A 17 1.782 -14.601 4.389 1.00 0.00 N ATOM 248 CA PRO A 17 1.092 -13.677 3.491 1.00 0.00 C ATOM 249 C PRO A 17 -0.416 -13.729 3.736 1.00 0.00 C ATOM 250 O PRO A 17 -0.991 -14.809 3.898 1.00 0.00 O ATOM 251 CB PRO A 17 1.413 -14.210 2.083 1.00 0.00 C ATOM 252 CG PRO A 17 2.514 -15.201 2.272 1.00 0.00 C ATOM 253 CD PRO A 17 2.376 -15.725 3.668 1.00 0.00 C ATOM 0 HA PRO A 17 1.405 -12.643 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.538 -14.677 1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.722 -13.403 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.438 -16.009 1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.487 -14.732 2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.739 -16.609 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.341 -16.009 4.089 1.00 0.00 H new ATOM 261 N MET A 18 -1.047 -12.592 3.776 1.00 0.00 N ATOM 262 CA MET A 18 -2.470 -12.537 4.041 1.00 0.00 C ATOM 263 C MET A 18 -3.186 -11.926 2.865 1.00 0.00 C ATOM 264 O MET A 18 -2.876 -10.810 2.471 1.00 0.00 O ATOM 265 CB MET A 18 -2.750 -11.695 5.294 1.00 0.00 C ATOM 266 CG MET A 18 -2.060 -12.192 6.546 1.00 0.00 C ATOM 267 SD MET A 18 -2.395 -11.161 7.986 1.00 0.00 S ATOM 268 CE MET A 18 -1.359 -11.964 9.214 1.00 0.00 C ATOM 0 H MET A 18 -0.605 -11.684 3.629 1.00 0.00 H new ATOM 0 HA MET A 18 -2.830 -13.553 4.205 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.438 -10.668 5.105 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.825 -11.674 5.470 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.383 -13.212 6.753 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.984 -12.227 6.373 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.988 -12.410 9.985 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.764 -12.742 8.736 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.696 -11.228 9.668 1.00 0.00 H new ATOM 278 N GLU A 19 -4.120 -12.637 2.298 1.00 0.00 N ATOM 279 CA GLU A 19 -4.881 -12.095 1.210 1.00 0.00 C ATOM 280 C GLU A 19 -6.187 -11.544 1.732 1.00 0.00 C ATOM 281 O GLU A 19 -6.922 -12.227 2.458 1.00 0.00 O ATOM 282 CB GLU A 19 -5.139 -13.114 0.072 1.00 0.00 C ATOM 283 CG GLU A 19 -5.996 -14.341 0.430 1.00 0.00 C ATOM 284 CD GLU A 19 -5.344 -15.290 1.403 1.00 0.00 C ATOM 285 OE1 GLU A 19 -5.427 -15.072 2.628 1.00 0.00 O ATOM 286 OE2 GLU A 19 -4.750 -16.278 0.954 1.00 0.00 O ATOM 0 H GLU A 19 -4.371 -13.588 2.570 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.285 -11.296 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.622 -12.590 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.175 -13.466 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.941 -13.999 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.233 -14.884 -0.485 1.00 0.00 H new ATOM 293 N LYS A 20 -6.455 -10.323 1.419 1.00 0.00 N ATOM 294 CA LYS A 20 -7.681 -9.717 1.821 1.00 0.00 C ATOM 295 C LYS A 20 -8.038 -8.601 0.869 1.00 0.00 C ATOM 296 O LYS A 20 -7.162 -8.003 0.245 1.00 0.00 O ATOM 297 CB LYS A 20 -7.621 -9.196 3.255 1.00 0.00 C ATOM 298 CG LYS A 20 -8.990 -8.815 3.765 1.00 0.00 C ATOM 299 CD LYS A 20 -8.956 -8.241 5.137 1.00 0.00 C ATOM 300 CE LYS A 20 -10.358 -7.877 5.595 1.00 0.00 C ATOM 301 NZ LYS A 20 -11.009 -6.892 4.686 1.00 0.00 N ATOM 0 H LYS A 20 -5.835 -9.718 0.880 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.456 -10.483 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.190 -9.960 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.961 -8.330 3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.437 -8.091 3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.632 -9.696 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.516 -8.960 5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.321 -7.355 5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.967 -8.779 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.314 -7.465 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.869 -6.520 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.352 -6.109 4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.261 -7.359 3.791 1.00 0.00 H new ATOM 315 N LYS A 21 -9.299 -8.339 0.747 1.00 0.00 N ATOM 316 CA LYS A 21 -9.785 -7.292 -0.087 1.00 0.00 C ATOM 317 C LYS A 21 -10.160 -6.101 0.806 1.00 0.00 C ATOM 318 O LYS A 21 -10.677 -6.292 1.918 1.00 0.00 O ATOM 319 CB LYS A 21 -10.966 -7.838 -0.875 1.00 0.00 C ATOM 320 CG LYS A 21 -11.500 -6.954 -1.976 1.00 0.00 C ATOM 321 CD LYS A 21 -12.586 -7.673 -2.802 1.00 0.00 C ATOM 322 CE LYS A 21 -12.052 -8.833 -3.715 1.00 0.00 C ATOM 323 NZ LYS A 21 -11.382 -9.976 -2.999 1.00 0.00 N ATOM 0 H LYS A 21 -10.031 -8.856 1.233 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.039 -6.942 -0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.673 -8.792 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.778 -8.044 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.914 -6.043 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.683 -6.653 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.333 -8.080 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.093 -6.939 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.888 -9.230 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.344 -8.411 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.418 -10.828 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.390 -9.731 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.874 -10.160 -2.102 1.00 0.00 H new ATOM 337 N TYR A 22 -9.855 -4.899 0.353 1.00 0.00 N ATOM 338 CA TYR A 22 -10.064 -3.687 1.142 1.00 0.00 C ATOM 339 C TYR A 22 -10.706 -2.618 0.260 1.00 0.00 C ATOM 340 O TYR A 22 -10.682 -2.750 -0.958 1.00 0.00 O ATOM 341 CB TYR A 22 -8.703 -3.154 1.648 1.00 0.00 C ATOM 342 CG TYR A 22 -7.895 -4.108 2.503 1.00 0.00 C ATOM 343 CD1 TYR A 22 -8.089 -4.175 3.874 1.00 0.00 C ATOM 344 CD2 TYR A 22 -6.921 -4.923 1.939 1.00 0.00 C ATOM 345 CE1 TYR A 22 -7.339 -5.026 4.659 1.00 0.00 C ATOM 346 CE2 TYR A 22 -6.169 -5.780 2.716 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.379 -5.827 4.074 1.00 0.00 C ATOM 348 OH TYR A 22 -5.632 -6.676 4.854 1.00 0.00 O ATOM 0 H TYR A 22 -9.456 -4.730 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.710 -3.918 1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.101 -2.873 0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.882 -2.245 2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.840 -3.551 4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.750 -4.885 0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.502 -5.065 5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.420 -6.410 2.260 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.180 -7.332 4.283 1.00 0.00 H new ATOM 358 N PRO A 23 -11.290 -1.545 0.838 1.00 0.00 N ATOM 359 CA PRO A 23 -11.858 -0.464 0.053 1.00 0.00 C ATOM 360 C PRO A 23 -10.776 0.451 -0.490 1.00 0.00 C ATOM 361 O PRO A 23 -9.942 0.958 0.261 1.00 0.00 O ATOM 362 CB PRO A 23 -12.738 0.320 1.041 1.00 0.00 C ATOM 363 CG PRO A 23 -12.654 -0.406 2.344 1.00 0.00 C ATOM 364 CD PRO A 23 -11.454 -1.310 2.277 1.00 0.00 C ATOM 0 HA PRO A 23 -12.411 -0.847 -0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.387 1.347 1.145 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.768 0.370 0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.559 0.298 3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.561 -0.984 2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.571 -0.840 2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.620 -2.240 2.820 1.00 0.00 H new ATOM 372 N ALA A 24 -10.807 0.689 -1.784 1.00 0.00 N ATOM 373 CA ALA A 24 -9.825 1.543 -2.422 1.00 0.00 C ATOM 374 C ALA A 24 -10.183 3.005 -2.219 1.00 0.00 C ATOM 375 O ALA A 24 -9.377 3.905 -2.445 1.00 0.00 O ATOM 376 CB ALA A 24 -9.697 1.208 -3.899 1.00 0.00 C ATOM 0 H ALA A 24 -11.505 0.301 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.856 1.364 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.955 1.861 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.385 0.170 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.660 1.352 -4.390 1.00 0.00 H new ATOM 382 N GLY A 25 -11.389 3.228 -1.773 1.00 0.00 N ATOM 383 CA GLY A 25 -11.847 4.568 -1.526 1.00 0.00 C ATOM 384 C GLY A 25 -11.381 5.095 -0.192 1.00 0.00 C ATOM 385 O GLY A 25 -11.561 6.276 0.115 1.00 0.00 O ATOM 0 H GLY A 25 -12.073 2.498 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.488 5.224 -2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.936 4.590 -1.563 1.00 0.00 H new ATOM 389 N MET A 26 -10.798 4.237 0.616 1.00 0.00 N ATOM 390 CA MET A 26 -10.305 4.660 1.900 1.00 0.00 C ATOM 391 C MET A 26 -8.824 5.116 1.771 1.00 0.00 C ATOM 392 O MET A 26 -8.208 4.940 0.711 1.00 0.00 O ATOM 393 CB MET A 26 -10.472 3.518 2.925 1.00 0.00 C ATOM 394 CG MET A 26 -10.211 3.939 4.354 1.00 0.00 C ATOM 395 SD MET A 26 -11.288 5.295 4.852 1.00 0.00 S ATOM 396 CE MET A 26 -10.687 5.639 6.502 1.00 0.00 C ATOM 0 H MET A 26 -10.656 3.249 0.405 1.00 0.00 H new ATOM 0 HA MET A 26 -10.882 5.512 2.258 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.485 3.122 2.852 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.792 2.706 2.665 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.364 3.089 5.018 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.170 4.243 4.460 1.00 0.00 H new ATOM 0 HE1 MET A 26 -11.358 6.343 6.994 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.648 4.713 7.076 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.688 6.071 6.443 1.00 0.00 H new ATOM 406 N SER A 27 -8.287 5.706 2.823 1.00 0.00 N ATOM 407 CA SER A 27 -6.916 6.173 2.860 1.00 0.00 C ATOM 408 C SER A 27 -5.963 5.050 3.213 1.00 0.00 C ATOM 409 O SER A 27 -6.357 4.043 3.830 1.00 0.00 O ATOM 410 CB SER A 27 -6.815 7.271 3.911 1.00 0.00 C ATOM 411 OG SER A 27 -7.358 6.837 5.150 1.00 0.00 O ATOM 0 H SER A 27 -8.800 5.876 3.688 1.00 0.00 H new ATOM 0 HA SER A 27 -6.641 6.549 1.875 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.772 7.556 4.046 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.346 8.159 3.568 1.00 0.00 H new ATOM 0 HG SER A 27 -7.281 7.557 5.811 1.00 0.00 H new ATOM 417 N LEU A 28 -4.702 5.219 2.821 1.00 0.00 N ATOM 418 CA LEU A 28 -3.650 4.263 3.160 1.00 0.00 C ATOM 419 C LEU A 28 -3.511 4.164 4.649 1.00 0.00 C ATOM 420 O LEU A 28 -3.205 3.110 5.188 1.00 0.00 O ATOM 421 CB LEU A 28 -2.329 4.726 2.607 1.00 0.00 C ATOM 422 CG LEU A 28 -1.138 3.789 2.849 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.329 2.447 2.159 1.00 0.00 C ATOM 424 CD2 LEU A 28 0.148 4.447 2.418 1.00 0.00 C ATOM 0 H LEU A 28 -4.383 6.013 2.266 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.920 3.296 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.438 4.874 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.096 5.698 3.041 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.080 3.592 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.465 1.812 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.228 1.965 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.431 2.601 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.982 3.768 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.096 4.686 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.297 5.363 2.989 1.00 0.00 H new ATOM 436 N ASN A 29 -3.750 5.279 5.299 1.00 0.00 N ATOM 437 CA ASN A 29 -3.638 5.373 6.755 1.00 0.00 C ATOM 438 C ASN A 29 -4.554 4.398 7.467 1.00 0.00 C ATOM 439 O ASN A 29 -4.240 3.931 8.557 1.00 0.00 O ATOM 440 CB ASN A 29 -3.819 6.807 7.265 1.00 0.00 C ATOM 441 CG ASN A 29 -2.688 7.716 6.807 1.00 0.00 C ATOM 442 OD1 ASN A 29 -1.559 7.264 6.591 1.00 0.00 O ATOM 443 ND2 ASN A 29 -2.967 8.981 6.658 1.00 0.00 N ATOM 0 H ASN A 29 -4.027 6.149 4.845 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.617 5.082 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.770 7.202 6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.864 6.803 8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.242 9.631 6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.910 9.321 6.845 1.00 0.00 H new ATOM 450 N ASP A 30 -5.675 4.085 6.856 1.00 0.00 N ATOM 451 CA ASP A 30 -6.592 3.097 7.408 1.00 0.00 C ATOM 452 C ASP A 30 -6.060 1.702 7.173 1.00 0.00 C ATOM 453 O ASP A 30 -6.039 0.875 8.069 1.00 0.00 O ATOM 454 CB ASP A 30 -7.954 3.221 6.774 1.00 0.00 C ATOM 455 CG ASP A 30 -8.940 2.197 7.299 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.475 2.384 8.404 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.191 1.193 6.620 1.00 0.00 O ATOM 0 H ASP A 30 -5.979 4.498 5.974 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.679 3.279 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.345 4.222 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.859 3.107 5.694 1.00 0.00 H new ATOM 462 N LEU A 31 -5.618 1.472 5.960 1.00 0.00 N ATOM 463 CA LEU A 31 -5.055 0.181 5.523 1.00 0.00 C ATOM 464 C LEU A 31 -3.877 -0.186 6.400 1.00 0.00 C ATOM 465 O LEU A 31 -3.789 -1.300 6.903 1.00 0.00 O ATOM 466 CB LEU A 31 -4.637 0.316 4.029 1.00 0.00 C ATOM 467 CG LEU A 31 -4.128 -0.937 3.249 1.00 0.00 C ATOM 468 CD1 LEU A 31 -2.743 -1.387 3.686 1.00 0.00 C ATOM 469 CD2 LEU A 31 -5.114 -2.078 3.378 1.00 0.00 C ATOM 0 H LEU A 31 -5.632 2.177 5.223 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.792 -0.617 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.496 0.710 3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.853 1.071 3.978 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.048 -0.641 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.445 -2.261 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.029 -0.581 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.761 -1.642 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.743 -2.943 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.232 -2.340 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.078 -1.774 2.969 1.00 0.00 H new ATOM 481 N LYS A 32 -2.990 0.742 6.585 1.00 0.00 N ATOM 482 CA LYS A 32 -1.848 0.496 7.424 1.00 0.00 C ATOM 483 C LYS A 32 -2.242 0.399 8.885 1.00 0.00 C ATOM 484 O LYS A 32 -1.632 -0.319 9.595 1.00 0.00 O ATOM 485 CB LYS A 32 -0.713 1.494 7.188 1.00 0.00 C ATOM 486 CG LYS A 32 -1.065 2.930 7.478 1.00 0.00 C ATOM 487 CD LYS A 32 0.078 3.875 7.148 1.00 0.00 C ATOM 488 CE LYS A 32 1.318 3.607 7.991 1.00 0.00 C ATOM 489 NZ LYS A 32 2.421 4.546 7.653 1.00 0.00 N ATOM 0 H LYS A 32 -3.030 1.673 6.171 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.449 -0.476 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.137 1.210 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.389 1.416 6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.946 3.211 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.328 3.033 8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.332 3.778 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.248 4.903 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.068 3.703 9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.651 2.581 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.959 4.773 8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.053 4.103 6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.023 5.420 7.253 1.00 0.00 H new ATOM 503 N LYS A 33 -3.293 1.117 9.321 1.00 0.00 N ATOM 504 CA LYS A 33 -3.779 1.014 10.688 1.00 0.00 C ATOM 505 C LYS A 33 -4.323 -0.395 10.940 1.00 0.00 C ATOM 506 O LYS A 33 -4.229 -0.936 12.047 1.00 0.00 O ATOM 507 CB LYS A 33 -4.881 2.038 10.924 1.00 0.00 C ATOM 508 CG LYS A 33 -5.299 2.157 12.367 1.00 0.00 C ATOM 509 CD LYS A 33 -4.127 2.594 13.225 1.00 0.00 C ATOM 510 CE LYS A 33 -3.628 3.984 12.844 1.00 0.00 C ATOM 511 NZ LYS A 33 -2.437 4.380 13.615 1.00 0.00 N ATOM 0 H LYS A 33 -3.815 1.772 8.738 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.955 1.210 11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.541 3.012 10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.750 1.768 10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.112 2.877 12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.680 1.199 12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.424 2.590 14.274 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.314 1.876 13.121 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.393 4.004 11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.423 4.711 13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.134 5.331 13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.667 4.387 14.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.668 3.702 13.439 1.00 0.00 H new ATOM 525 N LYS A 34 -4.903 -0.969 9.904 1.00 0.00 N ATOM 526 CA LYS A 34 -5.365 -2.322 9.909 1.00 0.00 C ATOM 527 C LYS A 34 -4.164 -3.247 10.122 1.00 0.00 C ATOM 528 O LYS A 34 -4.211 -4.188 10.914 1.00 0.00 O ATOM 529 CB LYS A 34 -6.040 -2.599 8.557 1.00 0.00 C ATOM 530 CG LYS A 34 -7.561 -2.646 8.536 1.00 0.00 C ATOM 531 CD LYS A 34 -8.193 -1.323 8.925 1.00 0.00 C ATOM 532 CE LYS A 34 -9.700 -1.379 8.765 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.349 -0.108 9.133 1.00 0.00 N ATOM 0 H LYS A 34 -5.065 -0.487 9.020 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.084 -2.496 10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.716 -1.832 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.667 -3.552 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.898 -2.925 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.906 -3.423 9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.941 -1.084 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.786 -0.524 8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.945 -1.623 7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.099 -2.181 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.160 0.063 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.680 -0.159 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.666 0.671 9.037 1.00 0.00 H new ATOM 547 N LEU A 35 -3.087 -2.929 9.444 1.00 0.00 N ATOM 548 CA LEU A 35 -1.854 -3.652 9.540 1.00 0.00 C ATOM 549 C LEU A 35 -1.190 -3.417 10.919 1.00 0.00 C ATOM 550 O LEU A 35 -0.696 -4.353 11.549 1.00 0.00 O ATOM 551 CB LEU A 35 -0.943 -3.211 8.400 1.00 0.00 C ATOM 552 CG LEU A 35 -1.460 -3.452 6.981 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.419 -3.037 5.957 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.859 -4.907 6.786 1.00 0.00 C ATOM 0 H LEU A 35 -3.049 -2.141 8.797 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.042 -4.722 9.454 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.745 -2.145 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.012 -3.726 8.507 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.349 -2.839 6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.805 -3.216 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.194 -1.977 6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.490 -3.620 6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.223 -5.051 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.994 -5.548 6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.647 -5.166 7.493 1.00 0.00 H new ATOM 566 N GLU A 36 -1.206 -2.163 11.371 1.00 0.00 N ATOM 567 CA GLU A 36 -0.710 -1.743 12.667 1.00 0.00 C ATOM 568 C GLU A 36 -1.396 -2.504 13.782 1.00 0.00 C ATOM 569 O GLU A 36 -0.802 -2.774 14.816 1.00 0.00 O ATOM 570 CB GLU A 36 -0.964 -0.247 12.847 1.00 0.00 C ATOM 571 CG GLU A 36 -0.091 0.679 12.011 1.00 0.00 C ATOM 572 CD GLU A 36 -0.505 2.132 12.146 1.00 0.00 C ATOM 573 OE1 GLU A 36 -0.345 2.710 13.246 1.00 0.00 O ATOM 574 OE2 GLU A 36 -1.035 2.706 11.176 1.00 0.00 O ATOM 0 H GLU A 36 -1.579 -1.390 10.820 1.00 0.00 H new ATOM 0 HA GLU A 36 0.359 -1.951 12.711 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.008 -0.044 12.609 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.822 0.002 13.899 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.949 0.569 12.317 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.148 0.382 10.964 1.00 0.00 H new ATOM 581 N LEU A 37 -2.640 -2.849 13.562 1.00 0.00 N ATOM 582 CA LEU A 37 -3.423 -3.589 14.530 1.00 0.00 C ATOM 583 C LEU A 37 -2.911 -5.025 14.648 1.00 0.00 C ATOM 584 O LEU A 37 -2.863 -5.600 15.739 1.00 0.00 O ATOM 585 CB LEU A 37 -4.905 -3.593 14.118 1.00 0.00 C ATOM 586 CG LEU A 37 -5.883 -4.269 15.090 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.920 -3.539 16.425 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.271 -4.356 14.477 1.00 0.00 C ATOM 0 H LEU A 37 -3.144 -2.625 12.704 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.324 -3.102 15.500 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.223 -2.560 13.977 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.989 -4.087 13.150 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.530 -5.283 15.277 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.620 -4.039 17.094 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.925 -3.545 16.871 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.241 -2.509 16.268 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.950 -4.838 15.181 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.633 -3.353 14.253 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.227 -4.940 13.558 1.00 0.00 H new ATOM 600 N VAL A 38 -2.511 -5.589 13.533 1.00 0.00 N ATOM 601 CA VAL A 38 -2.051 -6.965 13.499 1.00 0.00 C ATOM 602 C VAL A 38 -0.581 -7.066 13.915 1.00 0.00 C ATOM 603 O VAL A 38 -0.203 -7.952 14.674 1.00 0.00 O ATOM 604 CB VAL A 38 -2.242 -7.589 12.084 1.00 0.00 C ATOM 605 CG1 VAL A 38 -1.774 -9.044 12.048 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.698 -7.492 11.646 1.00 0.00 C ATOM 0 H VAL A 38 -2.493 -5.116 12.630 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.656 -7.525 14.212 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.627 -7.020 11.387 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.921 -9.449 11.047 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.716 -9.093 12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.350 -9.629 12.764 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.810 -7.933 10.656 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.328 -8.028 12.356 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.999 -6.445 11.613 1.00 0.00 H new ATOM 616 N VAL A 39 0.230 -6.140 13.448 1.00 0.00 N ATOM 617 CA VAL A 39 1.659 -6.183 13.715 1.00 0.00 C ATOM 618 C VAL A 39 2.023 -5.484 15.033 1.00 0.00 C ATOM 619 O VAL A 39 3.012 -5.839 15.685 1.00 0.00 O ATOM 620 CB VAL A 39 2.477 -5.606 12.522 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.977 -5.777 12.740 1.00 0.00 C ATOM 622 CG2 VAL A 39 2.055 -6.277 11.220 1.00 0.00 C ATOM 0 H VAL A 39 -0.072 -5.347 12.882 1.00 0.00 H new ATOM 0 HA VAL A 39 1.929 -7.233 13.827 1.00 0.00 H new ATOM 0 HB VAL A 39 2.267 -4.538 12.459 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.518 -5.364 11.889 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.275 -5.253 13.648 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.212 -6.837 12.839 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.634 -5.865 10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.234 -7.350 11.289 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.994 -6.097 11.045 1.00 0.00 H new ATOM 632 N GLY A 40 1.224 -4.524 15.443 1.00 0.00 N ATOM 633 CA GLY A 40 1.509 -3.819 16.677 1.00 0.00 C ATOM 634 C GLY A 40 2.424 -2.636 16.461 1.00 0.00 C ATOM 635 O GLY A 40 2.818 -1.961 17.415 1.00 0.00 O ATOM 0 H GLY A 40 0.385 -4.216 14.951 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.575 -3.477 17.122 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.968 -4.506 17.388 1.00 0.00 H new ATOM 639 N THR A 41 2.770 -2.388 15.220 1.00 0.00 N ATOM 640 CA THR A 41 3.635 -1.273 14.880 1.00 0.00 C ATOM 641 C THR A 41 2.810 0.055 14.853 1.00 0.00 C ATOM 642 O THR A 41 1.581 0.037 14.986 1.00 0.00 O ATOM 643 CB THR A 41 4.308 -1.538 13.507 1.00 0.00 C ATOM 644 OG1 THR A 41 4.830 -2.870 13.510 1.00 0.00 O ATOM 645 CG2 THR A 41 5.476 -0.591 13.253 1.00 0.00 C ATOM 0 H THR A 41 2.466 -2.945 14.421 1.00 0.00 H new ATOM 0 HA THR A 41 4.415 -1.172 15.635 1.00 0.00 H new ATOM 0 HB THR A 41 3.557 -1.388 12.731 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.803 -2.840 13.619 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.918 -0.811 12.281 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.119 0.439 13.264 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.227 -0.723 14.032 1.00 0.00 H new ATOM 653 N THR A 42 3.494 1.174 14.731 1.00 0.00 N ATOM 654 CA THR A 42 2.877 2.479 14.656 1.00 0.00 C ATOM 655 C THR A 42 3.123 3.066 13.234 1.00 0.00 C ATOM 656 O THR A 42 3.910 2.513 12.471 1.00 0.00 O ATOM 657 CB THR A 42 3.453 3.385 15.771 1.00 0.00 C ATOM 658 OG1 THR A 42 3.387 2.668 17.010 1.00 0.00 O ATOM 659 CG2 THR A 42 2.659 4.679 15.941 1.00 0.00 C ATOM 0 H THR A 42 4.512 1.201 14.680 1.00 0.00 H new ATOM 0 HA THR A 42 1.801 2.412 14.814 1.00 0.00 H new ATOM 0 HB THR A 42 4.474 3.645 15.493 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.749 3.225 17.730 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.105 5.278 16.735 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.677 5.242 15.008 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.628 4.441 16.201 1.00 0.00 H new ATOM 667 N VAL A 43 2.496 4.184 12.931 1.00 0.00 N ATOM 668 CA VAL A 43 2.426 4.745 11.570 1.00 0.00 C ATOM 669 C VAL A 43 3.793 5.066 10.940 1.00 0.00 C ATOM 670 O VAL A 43 4.061 4.657 9.810 1.00 0.00 O ATOM 671 CB VAL A 43 1.562 6.041 11.555 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.341 6.570 10.150 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.247 5.838 12.272 1.00 0.00 C ATOM 0 H VAL A 43 2.008 4.749 13.626 1.00 0.00 H new ATOM 0 HA VAL A 43 1.972 3.958 10.968 1.00 0.00 H new ATOM 0 HB VAL A 43 2.128 6.799 12.097 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.733 7.474 10.193 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.303 6.801 9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.828 5.816 9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.330 6.762 12.242 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.315 5.043 11.782 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.437 5.562 13.309 1.00 0.00 H new ATOM 683 N ASP A 44 4.651 5.749 11.657 1.00 0.00 N ATOM 684 CA ASP A 44 5.934 6.189 11.077 1.00 0.00 C ATOM 685 C ASP A 44 6.941 5.066 11.066 1.00 0.00 C ATOM 686 O ASP A 44 7.827 5.000 10.208 1.00 0.00 O ATOM 687 CB ASP A 44 6.486 7.399 11.837 1.00 0.00 C ATOM 688 CG ASP A 44 7.800 7.911 11.283 1.00 0.00 C ATOM 689 OD1 ASP A 44 7.789 8.587 10.224 1.00 0.00 O ATOM 690 OD2 ASP A 44 8.865 7.695 11.932 1.00 0.00 O ATOM 0 H ASP A 44 4.505 6.018 12.630 1.00 0.00 H new ATOM 0 HA ASP A 44 5.749 6.485 10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.750 8.203 11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.622 7.129 12.884 1.00 0.00 H new ATOM 695 N SER A 45 6.776 4.168 11.994 1.00 0.00 N ATOM 696 CA SER A 45 7.646 3.075 12.161 1.00 0.00 C ATOM 697 C SER A 45 7.278 1.913 11.253 1.00 0.00 C ATOM 698 O SER A 45 8.020 0.931 11.148 1.00 0.00 O ATOM 699 CB SER A 45 7.576 2.669 13.593 1.00 0.00 C ATOM 700 OG SER A 45 7.859 3.777 14.425 1.00 0.00 O ATOM 0 H SER A 45 6.008 4.190 12.665 1.00 0.00 H new ATOM 0 HA SER A 45 8.660 3.366 11.887 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.585 2.277 13.820 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.288 1.867 13.787 1.00 0.00 H new ATOM 0 HG SER A 45 7.809 3.502 15.364 1.00 0.00 H new ATOM 706 N MET A 46 6.150 2.016 10.619 1.00 0.00 N ATOM 707 CA MET A 46 5.696 0.974 9.745 1.00 0.00 C ATOM 708 C MET A 46 5.703 1.501 8.337 1.00 0.00 C ATOM 709 O MET A 46 4.925 2.397 7.982 1.00 0.00 O ATOM 710 CB MET A 46 4.304 0.517 10.143 1.00 0.00 C ATOM 711 CG MET A 46 3.911 -0.814 9.557 1.00 0.00 C ATOM 712 SD MET A 46 2.347 -1.396 10.214 1.00 0.00 S ATOM 713 CE MET A 46 2.304 -3.031 9.523 1.00 0.00 C ATOM 0 H MET A 46 5.522 2.816 10.690 1.00 0.00 H new ATOM 0 HA MET A 46 6.358 0.111 9.817 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.249 0.456 11.230 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.581 1.270 9.829 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.840 -0.727 8.473 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.689 -1.548 9.767 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.637 -3.658 10.114 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.942 -2.983 8.496 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.307 -3.457 9.534 1.00 0.00 H new ATOM 723 N ARG A 47 6.569 0.965 7.544 1.00 0.00 N ATOM 724 CA ARG A 47 6.750 1.438 6.210 1.00 0.00 C ATOM 725 C ARG A 47 6.038 0.494 5.244 1.00 0.00 C ATOM 726 O ARG A 47 6.070 -0.720 5.423 1.00 0.00 O ATOM 727 CB ARG A 47 8.245 1.507 5.913 1.00 0.00 C ATOM 728 CG ARG A 47 8.618 2.224 4.638 1.00 0.00 C ATOM 729 CD ARG A 47 8.192 3.683 4.689 1.00 0.00 C ATOM 730 NE ARG A 47 8.742 4.395 5.854 1.00 0.00 N ATOM 731 CZ ARG A 47 8.869 5.725 5.948 1.00 0.00 C ATOM 732 NH1 ARG A 47 8.652 6.499 4.883 1.00 0.00 N ATOM 733 NH2 ARG A 47 9.262 6.276 7.095 1.00 0.00 N ATOM 0 H ARG A 47 7.173 0.185 7.802 1.00 0.00 H new ATOM 0 HA ARG A 47 6.324 2.434 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.742 2.002 6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.637 0.491 5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.695 2.161 4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.144 1.733 3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.515 4.184 3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.104 3.739 4.715 1.00 0.00 H new ATOM 0 HE ARG A 47 9.049 3.834 6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.388 6.078 3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.750 7.511 4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.466 5.685 7.901 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.359 7.289 7.167 1.00 0.00 H new ATOM 747 N ILE A 48 5.382 1.054 4.251 1.00 0.00 N ATOM 748 CA ILE A 48 4.635 0.267 3.288 1.00 0.00 C ATOM 749 C ILE A 48 5.288 0.338 1.912 1.00 0.00 C ATOM 750 O ILE A 48 5.444 1.428 1.340 1.00 0.00 O ATOM 751 CB ILE A 48 3.110 0.698 3.187 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.292 0.330 4.457 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.442 0.112 1.954 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.675 1.062 5.723 1.00 0.00 C ATOM 0 H ILE A 48 5.350 2.060 4.087 1.00 0.00 H new ATOM 0 HA ILE A 48 4.656 -0.761 3.649 1.00 0.00 H new ATOM 0 HB ILE A 48 3.116 1.785 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.238 0.520 4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.394 -0.741 4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.400 0.429 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.958 0.462 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.489 -0.976 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.040 0.727 6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.718 0.854 5.962 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.544 2.134 5.577 1.00 0.00 H new ATOM 766 N GLN A 49 5.647 -0.810 1.388 1.00 0.00 N ATOM 767 CA GLN A 49 6.244 -0.906 0.089 1.00 0.00 C ATOM 768 C GLN A 49 5.274 -1.595 -0.837 1.00 0.00 C ATOM 769 O GLN A 49 4.612 -2.566 -0.448 1.00 0.00 O ATOM 770 CB GLN A 49 7.566 -1.669 0.160 1.00 0.00 C ATOM 771 CG GLN A 49 8.577 -0.994 1.064 1.00 0.00 C ATOM 772 CD GLN A 49 9.877 -1.754 1.197 1.00 0.00 C ATOM 773 OE1 GLN A 49 10.019 -2.615 2.065 1.00 0.00 O ATOM 774 NE2 GLN A 49 10.841 -1.423 0.377 1.00 0.00 N ATOM 0 H GLN A 49 5.530 -1.707 1.859 1.00 0.00 H new ATOM 0 HA GLN A 49 6.463 0.092 -0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.379 -2.681 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.984 -1.760 -0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.787 0.003 0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.138 -0.867 2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.685 -0.704 -0.330 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.749 -1.884 0.444 1.00 0.00 H new ATOM 783 N LEU A 50 5.177 -1.106 -2.034 1.00 0.00 N ATOM 784 CA LEU A 50 4.212 -1.634 -2.981 1.00 0.00 C ATOM 785 C LEU A 50 4.881 -2.413 -4.087 1.00 0.00 C ATOM 786 O LEU A 50 5.756 -1.896 -4.815 1.00 0.00 O ATOM 787 CB LEU A 50 3.274 -0.495 -3.523 1.00 0.00 C ATOM 788 CG LEU A 50 2.139 -0.865 -4.555 1.00 0.00 C ATOM 789 CD1 LEU A 50 1.158 0.279 -4.681 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.707 -1.126 -5.940 1.00 0.00 C ATOM 0 H LEU A 50 5.750 -0.341 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 50 3.577 -2.345 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.797 -0.025 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.908 0.260 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 50 1.651 -1.765 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.379 0.013 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.706 0.480 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.681 1.170 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.897 -1.378 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.219 -0.233 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.413 -1.955 -5.893 1.00 0.00 H new ATOM 802 N PHE A 51 4.483 -3.649 -4.200 1.00 0.00 N ATOM 803 CA PHE A 51 4.907 -4.503 -5.262 1.00 0.00 C ATOM 804 C PHE A 51 3.766 -4.637 -6.228 1.00 0.00 C ATOM 805 O PHE A 51 2.624 -4.925 -5.823 1.00 0.00 O ATOM 806 CB PHE A 51 5.352 -5.872 -4.736 1.00 0.00 C ATOM 807 CG PHE A 51 6.590 -5.818 -3.885 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.512 -5.546 -2.530 1.00 0.00 C ATOM 809 CD2 PHE A 51 7.833 -6.033 -4.448 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.654 -5.491 -1.759 1.00 0.00 C ATOM 811 CE2 PHE A 51 8.975 -5.980 -3.679 1.00 0.00 C ATOM 812 CZ PHE A 51 8.883 -5.706 -2.332 1.00 0.00 C ATOM 0 H PHE A 51 3.843 -4.095 -3.542 1.00 0.00 H new ATOM 0 HA PHE A 51 5.773 -4.069 -5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.541 -6.309 -4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.532 -6.536 -5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.549 -5.375 -2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.911 -6.245 -5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.582 -5.278 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.940 -6.153 -4.131 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.777 -5.660 -1.727 1.00 0.00 H new ATOM 822 N ASP A 52 4.051 -4.410 -7.485 1.00 0.00 N ATOM 823 CA ASP A 52 3.034 -4.419 -8.510 1.00 0.00 C ATOM 824 C ASP A 52 2.536 -5.815 -8.736 1.00 0.00 C ATOM 825 O ASP A 52 3.139 -6.793 -8.281 1.00 0.00 O ATOM 826 CB ASP A 52 3.575 -3.801 -9.817 1.00 0.00 C ATOM 827 CG ASP A 52 2.573 -3.649 -10.945 1.00 0.00 C ATOM 828 OD1 ASP A 52 2.424 -4.578 -11.746 1.00 0.00 O ATOM 829 OD2 ASP A 52 1.941 -2.597 -11.052 1.00 0.00 O ATOM 0 H ASP A 52 4.991 -4.214 -7.828 1.00 0.00 H new ATOM 0 HA ASP A 52 2.194 -3.810 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.986 -2.818 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.401 -4.417 -10.172 1.00 0.00 H new ATOM 834 N GLY A 53 1.485 -5.897 -9.452 1.00 0.00 N ATOM 835 CA GLY A 53 0.839 -7.158 -9.719 1.00 0.00 C ATOM 836 C GLY A 53 1.668 -8.022 -10.634 1.00 0.00 C ATOM 837 O GLY A 53 1.551 -9.250 -10.623 1.00 0.00 O ATOM 0 H GLY A 53 1.029 -5.093 -9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.664 -7.684 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.137 -6.979 -10.171 1.00 0.00 H new ATOM 841 N ASP A 54 2.516 -7.377 -11.418 1.00 0.00 N ATOM 842 CA ASP A 54 3.394 -8.071 -12.332 1.00 0.00 C ATOM 843 C ASP A 54 4.476 -8.816 -11.569 1.00 0.00 C ATOM 844 O ASP A 54 4.579 -10.047 -11.676 1.00 0.00 O ATOM 845 CB ASP A 54 4.046 -7.089 -13.311 1.00 0.00 C ATOM 846 CG ASP A 54 4.930 -7.780 -14.328 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.119 -8.042 -14.037 1.00 0.00 O ATOM 848 OD2 ASP A 54 4.452 -8.063 -15.442 1.00 0.00 O ATOM 0 H ASP A 54 2.612 -6.362 -11.436 1.00 0.00 H new ATOM 0 HA ASP A 54 2.793 -8.786 -12.894 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.268 -6.530 -13.831 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.639 -6.365 -12.752 1.00 0.00 H new ATOM 853 N ASP A 55 5.265 -8.061 -10.773 1.00 0.00 N ATOM 854 CA ASP A 55 6.408 -8.607 -10.027 1.00 0.00 C ATOM 855 C ASP A 55 7.187 -7.506 -9.319 1.00 0.00 C ATOM 856 O ASP A 55 7.435 -7.571 -8.113 1.00 0.00 O ATOM 857 CB ASP A 55 7.371 -9.339 -10.975 1.00 0.00 C ATOM 858 CG ASP A 55 8.616 -9.863 -10.293 1.00 0.00 C ATOM 859 OD1 ASP A 55 8.584 -10.980 -9.757 1.00 0.00 O ATOM 860 OD2 ASP A 55 9.654 -9.171 -10.308 1.00 0.00 O ATOM 0 H ASP A 55 5.124 -7.060 -10.633 1.00 0.00 H new ATOM 0 HA ASP A 55 6.004 -9.299 -9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.845 -10.172 -11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.665 -8.660 -11.776 1.00 0.00 H new ATOM 865 N GLN A 56 7.558 -6.502 -10.088 1.00 0.00 N ATOM 866 CA GLN A 56 8.446 -5.434 -9.638 1.00 0.00 C ATOM 867 C GLN A 56 7.881 -4.539 -8.542 1.00 0.00 C ATOM 868 O GLN A 56 6.665 -4.343 -8.414 1.00 0.00 O ATOM 869 CB GLN A 56 8.897 -4.579 -10.813 1.00 0.00 C ATOM 870 CG GLN A 56 7.761 -3.940 -11.592 1.00 0.00 C ATOM 871 CD GLN A 56 8.248 -3.115 -12.755 1.00 0.00 C ATOM 872 OE1 GLN A 56 8.499 -1.921 -12.629 1.00 0.00 O ATOM 873 NE2 GLN A 56 8.387 -3.737 -13.885 1.00 0.00 N ATOM 0 H GLN A 56 7.251 -6.398 -11.055 1.00 0.00 H new ATOM 0 HA GLN A 56 9.293 -5.953 -9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.556 -3.793 -10.444 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.486 -5.196 -11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.093 -4.720 -11.959 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.177 -3.309 -10.923 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.168 -4.731 -13.950 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.715 -3.232 -14.708 1.00 0.00 H new ATOM 882 N LEU A 57 8.792 -3.993 -7.774 1.00 0.00 N ATOM 883 CA LEU A 57 8.494 -3.030 -6.744 1.00 0.00 C ATOM 884 C LEU A 57 8.363 -1.679 -7.411 1.00 0.00 C ATOM 885 O LEU A 57 9.248 -1.261 -8.164 1.00 0.00 O ATOM 886 CB LEU A 57 9.620 -3.066 -5.654 1.00 0.00 C ATOM 887 CG LEU A 57 9.512 -2.116 -4.424 1.00 0.00 C ATOM 888 CD1 LEU A 57 10.445 -2.594 -3.329 1.00 0.00 C ATOM 889 CD2 LEU A 57 9.923 -0.701 -4.790 1.00 0.00 C ATOM 0 H LEU A 57 9.785 -4.212 -7.850 1.00 0.00 H new ATOM 0 HA LEU A 57 7.559 -3.255 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.680 -4.087 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.566 -2.854 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 57 8.475 -2.123 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.368 -1.928 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.168 -3.605 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.470 -2.593 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.838 -0.059 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.955 -0.701 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.271 -0.325 -5.579 1.00 0.00 H new ATOM 901 N LYS A 58 7.257 -1.025 -7.170 1.00 0.00 N ATOM 902 CA LYS A 58 6.992 0.267 -7.779 1.00 0.00 C ATOM 903 C LYS A 58 7.592 1.365 -6.944 1.00 0.00 C ATOM 904 O LYS A 58 8.231 2.282 -7.456 1.00 0.00 O ATOM 905 CB LYS A 58 5.483 0.489 -7.911 1.00 0.00 C ATOM 906 CG LYS A 58 4.728 -0.481 -8.842 1.00 0.00 C ATOM 907 CD LYS A 58 4.843 -0.151 -10.349 1.00 0.00 C ATOM 908 CE LYS A 58 6.261 -0.191 -10.896 1.00 0.00 C ATOM 909 NZ LYS A 58 6.298 0.072 -12.344 1.00 0.00 N ATOM 0 H LYS A 58 6.517 -1.362 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 58 7.444 0.283 -8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.040 0.424 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.317 1.505 -8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.104 -1.490 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.674 -0.484 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.230 -0.856 -10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.427 0.841 -10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.871 0.548 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.701 -1.167 -10.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.028 -0.522 -12.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.372 -0.150 -12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.520 1.074 -12.509 1.00 0.00 H new ATOM 923 N GLY A 59 7.414 1.258 -5.668 1.00 0.00 N ATOM 924 CA GLY A 59 7.937 2.251 -4.784 1.00 0.00 C ATOM 925 C GLY A 59 7.336 2.149 -3.423 1.00 0.00 C ATOM 926 O GLY A 59 6.776 1.099 -3.056 1.00 0.00 O ATOM 0 H GLY A 59 6.912 0.495 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.019 2.142 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.743 3.242 -5.194 1.00 0.00 H new ATOM 930 N GLU A 60 7.430 3.213 -2.681 1.00 0.00 N ATOM 931 CA GLU A 60 6.935 3.271 -1.376 1.00 0.00 C ATOM 932 C GLU A 60 5.667 4.088 -1.431 1.00 0.00 C ATOM 933 O GLU A 60 5.611 5.087 -2.171 1.00 0.00 O ATOM 934 CB GLU A 60 7.968 3.991 -0.529 1.00 0.00 C ATOM 935 CG GLU A 60 7.677 4.011 0.935 1.00 0.00 C ATOM 936 CD GLU A 60 8.648 4.869 1.686 1.00 0.00 C ATOM 937 OE1 GLU A 60 9.822 4.502 1.784 1.00 0.00 O ATOM 938 OE2 GLU A 60 8.237 5.934 2.198 1.00 0.00 O ATOM 0 H GLU A 60 7.869 4.079 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 60 6.737 2.284 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.938 3.519 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.053 5.019 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.664 4.380 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.713 2.994 1.326 1.00 0.00 H new ATOM 945 N LEU A 61 4.650 3.683 -0.715 1.00 0.00 N ATOM 946 CA LEU A 61 3.442 4.466 -0.693 1.00 0.00 C ATOM 947 C LEU A 61 3.597 5.627 0.222 1.00 0.00 C ATOM 948 O LEU A 61 4.054 6.691 -0.186 1.00 0.00 O ATOM 949 CB LEU A 61 2.189 3.633 -0.392 1.00 0.00 C ATOM 950 CG LEU A 61 1.794 2.612 -1.453 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.570 1.833 -1.007 1.00 0.00 C ATOM 952 CD2 LEU A 61 1.522 3.313 -2.781 1.00 0.00 C ATOM 0 H LEU A 61 4.632 2.834 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 61 3.282 4.852 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.344 3.107 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.351 4.314 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 61 2.619 1.912 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.300 1.108 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.791 1.310 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.261 2.520 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.241 2.574 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.710 4.029 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.421 3.837 -3.107 1.00 0.00 H new ATOM 964 N THR A 62 3.180 5.438 1.417 1.00 0.00 N ATOM 965 CA THR A 62 3.437 6.372 2.506 1.00 0.00 C ATOM 966 C THR A 62 2.480 7.601 2.481 1.00 0.00 C ATOM 967 O THR A 62 2.467 8.425 3.393 1.00 0.00 O ATOM 968 CB THR A 62 4.952 6.723 2.517 1.00 0.00 C ATOM 969 OG1 THR A 62 5.687 5.518 2.729 1.00 0.00 O ATOM 970 CG2 THR A 62 5.360 7.724 3.562 1.00 0.00 C ATOM 0 H THR A 62 2.637 4.621 1.697 1.00 0.00 H new ATOM 0 HA THR A 62 3.205 5.900 3.461 1.00 0.00 H new ATOM 0 HB THR A 62 5.168 7.188 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.647 5.709 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.433 7.906 3.493 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.823 8.658 3.400 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.121 7.335 4.552 1.00 0.00 H new ATOM 978 N ASP A 63 1.640 7.672 1.465 1.00 0.00 N ATOM 979 CA ASP A 63 0.698 8.763 1.351 1.00 0.00 C ATOM 980 C ASP A 63 -0.679 8.258 1.672 1.00 0.00 C ATOM 981 O ASP A 63 -1.262 7.510 0.910 1.00 0.00 O ATOM 982 CB ASP A 63 0.657 9.357 -0.057 1.00 0.00 C ATOM 983 CG ASP A 63 1.996 9.867 -0.580 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.470 10.917 -0.106 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.565 9.239 -1.516 1.00 0.00 O ATOM 0 H ASP A 63 1.593 6.988 0.710 1.00 0.00 H new ATOM 0 HA ASP A 63 1.021 9.539 2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.280 8.599 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.058 10.180 -0.067 1.00 0.00 H new ATOM 990 N GLY A 64 -1.188 8.646 2.784 1.00 0.00 N ATOM 991 CA GLY A 64 -2.527 8.250 3.157 1.00 0.00 C ATOM 992 C GLY A 64 -3.444 9.422 3.149 1.00 0.00 C ATOM 993 O GLY A 64 -4.542 9.373 3.684 1.00 0.00 O ATOM 0 H GLY A 64 -0.710 9.238 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.893 7.491 2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.515 7.798 4.149 1.00 0.00 H new ATOM 997 N ALA A 65 -2.980 10.489 2.550 1.00 0.00 N ATOM 998 CA ALA A 65 -3.778 11.676 2.390 1.00 0.00 C ATOM 999 C ALA A 65 -4.706 11.501 1.203 1.00 0.00 C ATOM 1000 O ALA A 65 -5.688 12.230 1.049 1.00 0.00 O ATOM 1001 CB ALA A 65 -2.886 12.883 2.189 1.00 0.00 C ATOM 0 H ALA A 65 -2.040 10.559 2.160 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.373 11.836 3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.502 13.774 2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.237 13.004 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.276 12.740 1.297 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.391 10.517 0.373 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.182 10.222 -0.798 1.00 0.00 C ATOM 1009 C LYS A 66 -5.933 8.937 -0.556 1.00 0.00 C ATOM 1010 O LYS A 66 -5.808 8.329 0.518 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.313 10.027 -2.067 1.00 0.00 C ATOM 1012 CG LYS A 66 -3.391 11.176 -2.482 1.00 0.00 C ATOM 1013 CD LYS A 66 -2.174 11.311 -1.587 1.00 0.00 C ATOM 1014 CE LYS A 66 -1.235 12.383 -2.100 1.00 0.00 C ATOM 1015 NZ LYS A 66 -0.758 12.092 -3.479 1.00 0.00 N ATOM 0 H LYS A 66 -3.583 9.907 0.497 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.849 11.068 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.697 9.140 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.981 9.815 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.064 11.019 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.953 12.110 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.490 11.555 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.649 10.357 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.744 13.347 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.379 12.466 -1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.111 12.631 -3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.561 11.075 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.490 12.366 -4.165 1.00 0.00 H new ATOM 1029 N SER A 67 -6.678 8.505 -1.538 1.00 0.00 N ATOM 1030 CA SER A 67 -7.366 7.284 -1.446 1.00 0.00 C ATOM 1031 C SER A 67 -6.485 6.255 -2.095 1.00 0.00 C ATOM 1032 O SER A 67 -5.645 6.592 -2.936 1.00 0.00 O ATOM 1033 CB SER A 67 -8.665 7.372 -2.224 1.00 0.00 C ATOM 1034 OG SER A 67 -9.338 8.586 -1.941 1.00 0.00 O ATOM 0 H SER A 67 -6.813 9.004 -2.417 1.00 0.00 H new ATOM 0 HA SER A 67 -7.592 7.035 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.460 7.305 -3.292 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.305 6.528 -1.969 1.00 0.00 H new ATOM 0 HG SER A 67 -10.172 8.625 -2.454 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.682 5.047 -1.746 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.934 3.926 -2.291 1.00 0.00 C ATOM 1042 C LEU A 68 -6.185 3.784 -3.796 1.00 0.00 C ATOM 1043 O LEU A 68 -5.345 3.276 -4.550 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.357 2.699 -1.527 1.00 0.00 C ATOM 1045 CG LEU A 68 -5.951 2.728 -0.059 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.768 1.761 0.768 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.472 2.406 0.069 1.00 0.00 C ATOM 0 H LEU A 68 -7.382 4.774 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.861 4.078 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.440 2.594 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.921 1.818 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.143 3.730 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.448 1.812 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.823 2.025 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.622 0.748 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.185 2.428 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.279 1.414 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.890 3.145 -0.482 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.331 4.266 -4.213 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.724 4.257 -5.606 1.00 0.00 C ATOM 1061 C LYS A 69 -6.944 5.364 -6.328 1.00 0.00 C ATOM 1062 O LYS A 69 -6.404 5.155 -7.405 1.00 0.00 O ATOM 1063 CB LYS A 69 -9.265 4.466 -5.707 1.00 0.00 C ATOM 1064 CG LYS A 69 -9.921 4.172 -7.075 1.00 0.00 C ATOM 1065 CD LYS A 69 -9.544 5.154 -8.176 1.00 0.00 C ATOM 1066 CE LYS A 69 -10.215 4.771 -9.483 1.00 0.00 C ATOM 1067 NZ LYS A 69 -9.911 5.719 -10.571 1.00 0.00 N ATOM 0 H LYS A 69 -8.025 4.680 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.492 3.303 -6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.743 3.834 -4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.486 5.499 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.642 3.167 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.004 4.179 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.842 6.163 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.462 5.166 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.892 3.772 -9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.294 4.726 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.392 5.414 -11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.243 6.669 -10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.884 5.744 -10.733 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.855 6.534 -5.689 1.00 0.00 N ATOM 1082 CA ASP A 70 -6.134 7.688 -6.263 1.00 0.00 C ATOM 1083 C ASP A 70 -4.654 7.412 -6.309 1.00 0.00 C ATOM 1084 O ASP A 70 -3.944 7.873 -7.195 1.00 0.00 O ATOM 1085 CB ASP A 70 -6.382 8.930 -5.444 1.00 0.00 C ATOM 1086 CG ASP A 70 -5.745 10.175 -6.054 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -6.297 10.722 -7.027 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -4.706 10.641 -5.549 1.00 0.00 O ATOM 0 H ASP A 70 -7.271 6.713 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.505 7.847 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.456 9.087 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.989 8.781 -4.438 1.00 0.00 H new ATOM 1093 N LEU A 71 -4.199 6.641 -5.358 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.797 6.212 -5.307 1.00 0.00 C ATOM 1095 C LEU A 71 -2.518 5.155 -6.367 1.00 0.00 C ATOM 1096 O LEU A 71 -1.360 4.859 -6.673 1.00 0.00 O ATOM 1097 CB LEU A 71 -2.456 5.613 -3.939 1.00 0.00 C ATOM 1098 CG LEU A 71 -2.494 6.536 -2.724 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -2.200 5.737 -1.473 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -1.479 7.652 -2.878 1.00 0.00 C ATOM 0 H LEU A 71 -4.773 6.286 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.184 7.095 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.145 4.789 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.456 5.184 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.487 6.979 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.227 6.396 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.949 4.954 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.212 5.285 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.518 8.302 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.480 7.225 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.709 8.232 -3.772 1.00 0.00 H new ATOM 1112 N GLY A 72 -3.576 4.606 -6.936 1.00 0.00 N ATOM 1113 CA GLY A 72 -3.445 3.581 -7.938 1.00 0.00 C ATOM 1114 C GLY A 72 -2.837 2.325 -7.377 1.00 0.00 C ATOM 1115 O GLY A 72 -1.939 1.736 -7.988 1.00 0.00 O ATOM 0 H GLY A 72 -4.539 4.860 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.426 3.354 -8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.827 3.950 -8.756 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.302 1.918 -6.197 1.00 0.00 N ATOM 1120 CA VAL A 73 -2.789 0.713 -5.575 1.00 0.00 C ATOM 1121 C VAL A 73 -3.304 -0.496 -6.315 1.00 0.00 C ATOM 1122 O VAL A 73 -2.566 -1.394 -6.626 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.081 0.638 -4.048 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.472 -0.617 -3.449 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.517 1.865 -3.350 1.00 0.00 C ATOM 0 H VAL A 73 -4.024 2.402 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.702 0.736 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.161 0.606 -3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.687 -0.652 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.898 -1.495 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.393 -0.606 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.726 1.804 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.439 1.910 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.981 2.762 -3.760 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.569 -0.442 -6.620 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.288 -1.436 -7.444 1.00 0.00 C ATOM 1137 C ARG A 74 -5.325 -2.826 -6.819 1.00 0.00 C ATOM 1138 O ARG A 74 -4.746 -3.087 -5.768 1.00 0.00 O ATOM 1139 CB ARG A 74 -4.678 -1.504 -8.838 1.00 0.00 C ATOM 1140 CG ARG A 74 -4.648 -0.175 -9.534 1.00 0.00 C ATOM 1141 CD ARG A 74 -3.868 -0.240 -10.814 1.00 0.00 C ATOM 1142 NE ARG A 74 -3.747 1.079 -11.408 1.00 0.00 N ATOM 1143 CZ ARG A 74 -2.619 1.587 -11.897 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -1.487 0.869 -11.879 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -2.615 2.807 -12.391 1.00 0.00 N ATOM 0 H ARG A 74 -5.172 0.316 -6.301 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.322 -1.096 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.662 -1.892 -8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.246 -2.211 -9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.667 0.149 -9.744 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.205 0.572 -8.875 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.877 -0.650 -10.621 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.362 -0.915 -11.513 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.586 1.657 -11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.487 -0.073 -11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.626 1.265 -12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.474 3.357 -12.397 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.753 3.202 -12.767 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.024 -3.707 -7.473 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.172 -5.067 -7.002 1.00 0.00 C ATOM 1161 C ASP A 75 -5.140 -5.964 -7.613 1.00 0.00 C ATOM 1162 O ASP A 75 -4.600 -5.682 -8.686 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.550 -5.628 -7.313 1.00 0.00 C ATOM 1164 CG ASP A 75 -7.810 -5.803 -8.792 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -8.096 -4.809 -9.471 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -7.757 -6.942 -9.284 1.00 0.00 O ATOM 0 H ASP A 75 -6.510 -3.510 -8.348 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.039 -5.035 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.662 -6.592 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.307 -4.964 -6.895 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.879 -7.036 -6.932 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.911 -8.013 -7.384 1.00 0.00 C ATOM 1173 C GLY A 76 -2.495 -7.584 -7.076 1.00 0.00 C ATOM 1174 O GLY A 76 -1.536 -8.112 -7.637 1.00 0.00 O ATOM 0 H GLY A 76 -5.326 -7.268 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.112 -8.972 -6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.020 -8.163 -8.458 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.373 -6.627 -6.198 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.095 -6.087 -5.791 1.00 0.00 C ATOM 1180 C TYR A 77 -0.659 -6.647 -4.473 1.00 0.00 C ATOM 1181 O TYR A 77 -1.480 -7.137 -3.680 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.127 -4.564 -5.749 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.050 -3.908 -7.110 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -1.980 -4.167 -8.105 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.032 -3.029 -7.390 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -1.888 -3.563 -9.343 1.00 0.00 C ATOM 1187 CE2 TYR A 77 0.069 -2.419 -8.616 1.00 0.00 C ATOM 1188 CZ TYR A 77 -0.861 -2.687 -9.592 1.00 0.00 C ATOM 1189 OH TYR A 77 -0.750 -2.080 -10.826 1.00 0.00 O ATOM 0 H TYR A 77 -3.169 -6.190 -5.734 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.362 -6.388 -6.539 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.044 -4.244 -5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.296 -4.210 -5.139 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.790 -4.853 -7.908 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.704 -2.813 -6.630 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.618 -3.778 -10.109 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.877 -1.730 -8.813 1.00 0.00 H new ATOM 0 HH TYR A 77 0.178 -2.138 -11.137 1.00 0.00 H new ATOM 1199 N ARG A 78 0.618 -6.610 -4.236 1.00 0.00 N ATOM 1200 CA ARG A 78 1.149 -7.141 -3.024 1.00 0.00 C ATOM 1201 C ARG A 78 1.686 -5.996 -2.192 1.00 0.00 C ATOM 1202 O ARG A 78 2.562 -5.241 -2.635 1.00 0.00 O ATOM 1203 CB ARG A 78 2.241 -8.170 -3.325 1.00 0.00 C ATOM 1204 CG ARG A 78 1.800 -9.221 -4.335 1.00 0.00 C ATOM 1205 CD ARG A 78 2.845 -10.289 -4.547 1.00 0.00 C ATOM 1206 NE ARG A 78 2.492 -11.174 -5.665 1.00 0.00 N ATOM 1207 CZ ARG A 78 2.359 -12.501 -5.597 1.00 0.00 C ATOM 1208 NH1 ARG A 78 2.337 -13.119 -4.424 1.00 0.00 N ATOM 1209 NH2 ARG A 78 2.180 -13.203 -6.711 1.00 0.00 N ATOM 0 H ARG A 78 1.311 -6.215 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 78 0.367 -7.654 -2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.124 -7.656 -3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.534 -8.664 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.875 -9.685 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.581 -8.737 -5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.810 -9.821 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.955 -10.878 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 78 2.335 -10.737 -6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.422 -12.580 -3.562 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.235 -14.133 -4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.145 -12.728 -7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.078 -14.217 -6.664 1.00 0.00 H new ATOM 1223 N ILE A 79 1.162 -5.856 -1.013 1.00 0.00 N ATOM 1224 CA ILE A 79 1.544 -4.786 -0.141 1.00 0.00 C ATOM 1225 C ILE A 79 2.413 -5.310 0.961 1.00 0.00 C ATOM 1226 O ILE A 79 1.997 -6.153 1.762 1.00 0.00 O ATOM 1227 CB ILE A 79 0.318 -4.016 0.431 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.453 -3.318 -0.700 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.732 -3.012 1.500 1.00 0.00 C ATOM 1230 CD1 ILE A 79 0.362 -2.297 -1.481 1.00 0.00 C ATOM 0 H ILE A 79 0.455 -6.482 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 79 2.111 -4.066 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.339 -4.745 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.823 -4.075 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.325 -2.820 -0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.151 -2.495 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.221 -3.536 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.422 -2.286 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.260 -1.853 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.710 -1.516 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.220 -2.790 -1.939 1.00 0.00 H new ATOM 1242 N HIS A 80 3.604 -4.826 0.987 1.00 0.00 N ATOM 1243 CA HIS A 80 4.568 -5.246 1.935 1.00 0.00 C ATOM 1244 C HIS A 80 4.751 -4.206 3.012 1.00 0.00 C ATOM 1245 O HIS A 80 5.112 -3.072 2.732 1.00 0.00 O ATOM 1246 CB HIS A 80 5.895 -5.518 1.225 1.00 0.00 C ATOM 1247 CG HIS A 80 7.014 -5.822 2.149 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.157 -7.029 2.781 1.00 0.00 N ATOM 1249 CD2 HIS A 80 8.020 -5.036 2.585 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.200 -6.983 3.579 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.749 -5.785 3.481 1.00 0.00 N ATOM 0 H HIS A 80 3.940 -4.115 0.338 1.00 0.00 H new ATOM 0 HA HIS A 80 4.219 -6.162 2.411 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.765 -6.355 0.539 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.159 -4.649 0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.216 -4.016 2.288 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.549 -7.788 4.208 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.576 -5.468 3.986 1.00 0.00 H new ATOM 1260 N ALA A 81 4.523 -4.589 4.222 1.00 0.00 N ATOM 1261 CA ALA A 81 4.756 -3.715 5.324 1.00 0.00 C ATOM 1262 C ALA A 81 6.040 -4.125 6.002 1.00 0.00 C ATOM 1263 O ALA A 81 6.354 -5.308 6.086 1.00 0.00 O ATOM 1264 CB ALA A 81 3.594 -3.756 6.289 1.00 0.00 C ATOM 0 H ALA A 81 4.171 -5.512 4.476 1.00 0.00 H new ATOM 0 HA ALA A 81 4.848 -2.688 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.790 -3.083 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.684 -3.443 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.468 -4.772 6.664 1.00 0.00 H new ATOM 1270 N VAL A 82 6.792 -3.178 6.439 1.00 0.00 N ATOM 1271 CA VAL A 82 8.016 -3.455 7.104 1.00 0.00 C ATOM 1272 C VAL A 82 8.110 -2.619 8.378 1.00 0.00 C ATOM 1273 O VAL A 82 7.791 -1.417 8.381 1.00 0.00 O ATOM 1274 CB VAL A 82 9.248 -3.233 6.150 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.337 -1.808 5.648 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.559 -3.655 6.792 1.00 0.00 C ATOM 0 H VAL A 82 6.575 -2.186 6.345 1.00 0.00 H new ATOM 0 HA VAL A 82 8.037 -4.507 7.389 1.00 0.00 H new ATOM 0 HB VAL A 82 9.076 -3.879 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.203 -1.706 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.432 -1.561 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.440 -1.130 6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.378 -3.482 6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.725 -3.072 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.516 -4.714 7.045 1.00 0.00 H new ATOM 1286 N ASP A 83 8.489 -3.264 9.447 1.00 0.00 N ATOM 1287 CA ASP A 83 8.649 -2.614 10.725 1.00 0.00 C ATOM 1288 C ASP A 83 10.044 -2.084 10.789 1.00 0.00 C ATOM 1289 O ASP A 83 10.999 -2.841 10.665 1.00 0.00 O ATOM 1290 CB ASP A 83 8.419 -3.616 11.860 1.00 0.00 C ATOM 1291 CG ASP A 83 8.564 -3.011 13.245 1.00 0.00 C ATOM 1292 OD1 ASP A 83 9.701 -2.679 13.646 1.00 0.00 O ATOM 1293 OD2 ASP A 83 7.536 -2.871 13.948 1.00 0.00 O ATOM 0 H ASP A 83 8.698 -4.262 9.459 1.00 0.00 H new ATOM 0 HA ASP A 83 7.925 -1.807 10.835 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.420 -4.041 11.761 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.127 -4.438 11.756 1.00 0.00 H new ATOM 1298 N VAL A 84 10.174 -0.815 10.952 1.00 0.00 N ATOM 1299 CA VAL A 84 11.483 -0.205 10.942 1.00 0.00 C ATOM 1300 C VAL A 84 12.015 0.023 12.367 1.00 0.00 C ATOM 1301 O VAL A 84 13.226 0.063 12.583 1.00 0.00 O ATOM 1302 CB VAL A 84 11.469 1.127 10.143 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.868 1.722 10.026 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.855 0.927 8.762 1.00 0.00 C ATOM 0 H VAL A 84 9.399 -0.168 11.095 1.00 0.00 H new ATOM 0 HA VAL A 84 12.160 -0.899 10.444 1.00 0.00 H new ATOM 0 HB VAL A 84 10.850 1.834 10.696 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.821 2.653 9.461 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.263 1.921 11.022 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.521 1.018 9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.857 1.874 8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.439 0.192 8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.830 0.571 8.868 1.00 0.00 H new ATOM 1314 N THR A 85 11.121 0.102 13.340 1.00 0.00 N ATOM 1315 CA THR A 85 11.516 0.403 14.719 1.00 0.00 C ATOM 1316 C THR A 85 12.342 -0.733 15.334 1.00 0.00 C ATOM 1317 O THR A 85 13.220 -0.501 16.178 1.00 0.00 O ATOM 1318 CB THR A 85 10.291 0.763 15.617 1.00 0.00 C ATOM 1319 OG1 THR A 85 10.698 1.102 16.954 1.00 0.00 O ATOM 1320 CG2 THR A 85 9.273 -0.355 15.672 1.00 0.00 C ATOM 0 H THR A 85 10.119 -0.037 13.208 1.00 0.00 H new ATOM 0 HA THR A 85 12.153 1.287 14.675 1.00 0.00 H new ATOM 0 HB THR A 85 9.823 1.632 15.154 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.908 1.324 17.490 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.440 -0.057 16.309 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.906 -0.562 14.667 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.739 -1.252 16.080 1.00 0.00 H new ATOM 1328 N GLY A 86 12.070 -1.943 14.908 1.00 0.00 N ATOM 1329 CA GLY A 86 12.836 -3.082 15.384 1.00 0.00 C ATOM 1330 C GLY A 86 14.092 -3.339 14.552 1.00 0.00 C ATOM 1331 O GLY A 86 14.893 -4.217 14.880 1.00 0.00 O ATOM 0 H GLY A 86 11.333 -2.169 14.240 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.121 -2.914 16.422 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.206 -3.971 15.367 1.00 0.00 H new ATOM 1335 N GLY A 87 14.258 -2.575 13.480 1.00 0.00 N ATOM 1336 CA GLY A 87 15.449 -2.677 12.642 1.00 0.00 C ATOM 1337 C GLY A 87 15.395 -3.800 11.613 1.00 0.00 C ATOM 1338 O GLY A 87 16.288 -3.915 10.767 1.00 0.00 O ATOM 0 H GLY A 87 13.583 -1.877 13.169 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.596 -1.730 12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.318 -2.828 13.282 1.00 0.00 H new ATOM 1342 N ASN A 88 14.364 -4.607 11.672 1.00 0.00 N ATOM 1343 CA ASN A 88 14.203 -5.739 10.789 1.00 0.00 C ATOM 1344 C ASN A 88 13.821 -5.311 9.381 1.00 0.00 C ATOM 1345 O ASN A 88 12.849 -4.600 9.193 1.00 0.00 O ATOM 1346 CB ASN A 88 13.093 -6.635 11.323 1.00 0.00 C ATOM 1347 CG ASN A 88 12.881 -7.859 10.485 1.00 0.00 C ATOM 1348 OD1 ASN A 88 12.154 -7.848 9.514 1.00 0.00 O ATOM 1349 ND2 ASN A 88 13.465 -8.912 10.870 1.00 0.00 N ATOM 0 H ASN A 88 13.603 -4.496 12.342 1.00 0.00 H new ATOM 0 HA ASN A 88 15.158 -6.263 10.750 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.334 -6.936 12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 88 12.164 -6.067 11.369 1.00 0.00 H new ATOM 0 HD21 ASN A 88 13.331 -9.785 10.360 1.00 0.00 H new ATOM 0 HD22 ASN A 88 14.070 -8.889 11.691 1.00 0.00 H new ATOM 1356 N GLU A 89 14.597 -5.720 8.415 1.00 0.00 N ATOM 1357 CA GLU A 89 14.229 -5.549 7.013 1.00 0.00 C ATOM 1358 C GLU A 89 14.805 -6.695 6.188 1.00 0.00 C ATOM 1359 O GLU A 89 14.664 -6.748 4.954 1.00 0.00 O ATOM 1360 CB GLU A 89 14.668 -4.188 6.471 1.00 0.00 C ATOM 1361 CG GLU A 89 16.152 -3.931 6.547 1.00 0.00 C ATOM 1362 CD GLU A 89 16.509 -2.585 5.993 1.00 0.00 C ATOM 1363 OE1 GLU A 89 16.677 -2.458 4.769 1.00 0.00 O ATOM 1364 OE2 GLU A 89 16.596 -1.618 6.773 1.00 0.00 O ATOM 0 H GLU A 89 15.496 -6.178 8.562 1.00 0.00 H new ATOM 0 HA GLU A 89 13.142 -5.574 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.351 -4.106 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.148 -3.406 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.480 -3.997 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.684 -4.705 5.995 1.00 0.00 H new ATOM 1371 N ASP A 90 15.436 -7.615 6.888 1.00 0.00 N ATOM 1372 CA ASP A 90 16.061 -8.773 6.305 1.00 0.00 C ATOM 1373 C ASP A 90 16.306 -9.786 7.389 1.00 0.00 C ATOM 1374 O ASP A 90 17.241 -9.585 8.192 1.00 0.00 O ATOM 1375 CB ASP A 90 17.372 -8.405 5.628 1.00 0.00 C ATOM 1376 CG ASP A 90 18.057 -9.603 5.010 1.00 0.00 C ATOM 1377 OD1 ASP A 90 17.599 -10.084 3.951 1.00 0.00 O ATOM 1378 OD2 ASP A 90 19.074 -10.063 5.560 1.00 0.00 O ATOM 0 H ASP A 90 15.528 -7.572 7.903 1.00 0.00 H new ATOM 0 HA ASP A 90 15.401 -9.190 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 90 17.182 -7.660 4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 90 18.038 -7.945 6.358 1.00 0.00 H new TER 1383 ASP A 90