USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 898 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: B 27 CYS SG : rot 72:sc= -15.6! USER MOD Set 1.2: B 50 CYS SG : rot 153:sc= -13! USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 ASN : amide:sc= -0.02 K(o=-0.02,f=-2.3!) USER MOD Single : B 7 ASN : amide:sc= -0.0283 K(o=-0.028,f=-2.4!) USER MOD Single : B 9 MET CE :methyl -128:sc= -0.123 (180deg=-0.706) USER MOD Single : B -1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -7 HIS : no HD1:sc=-0.000195 X(o=-0.00019,f=0) USER MOD Single : B -8 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : B -9 HIS : no HD1:sc=-0.00944 X(o=-0.0094,f=-0.08) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.012 USER MOD Single : B 11 LYS NZ :NH3+ 163:sc= 2.18 (180deg=1.48) USER MOD Single : B 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 SER OG : rot 75:sc= 1.17 USER MOD Single : B 18 MET CE :methyl -166:sc= -2.86 (180deg=-3.3!) USER MOD Single : B 19 THR OG1 : rot -110:sc= 0.0106 USER MOD Single : B 28 LYS NZ :NH3+ 155:sc= 1.21 (180deg=0.0818) USER MOD Single : B 32 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.8) USER MOD Single : B 37 LYS NZ :NH3+ 168:sc= -0.0319 (180deg=-0.198) USER MOD Single : B 38 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.02) USER MOD Single : B 44 LYS NZ :NH3+ 170:sc= -0.0113 (180deg=-0.146) USER MOD Single : B 45 MET CE :methyl 173:sc= -0.911 (180deg=-1.03) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 57:sc= 1.29 USER MOD Single : B 49 GLN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : B 52 THR OG1 : rot -29:sc= 0.0883 USER MOD Single : B 57 SER OG : rot -25:sc= -2.58! USER MOD Single : B 58 THR OG1 : rot 163:sc= -3.05! USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ 141:sc= -0.24 (180deg=-1.29!) USER MOD Single : B 62 GLN : amide:sc= -2.98! C(o=-3!,f=-5.1!) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 69 MET CE :methyl -179:sc= -1.25 (180deg=-1.28) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 ASN : amide:sc= 0.108 K(o=0.11,f=-5.1!) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 THR OG1 : rot -170:sc= -0.766 USER MOD Single : B 80 THR OG1 : rot 69:sc= 0.159 USER MOD Single : B 84 SER OG : rot 85:sc= 1.24 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 LYS NZ :NH3+ 175:sc= -0.113 (180deg=-0.142) USER MOD Single : B 97 HIS : no HE2:sc= 0.775 K(o=0.77,f=-7.8!) USER MOD Single : B -10 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=-0.017) USER MOD Single : B -11 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=-0.08) USER MOD Single : B -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -14 MET CE :methyl -162:sc= -0.0588 (180deg=-0.416) USER MOD Single : B -14 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ -162:sc= -0.0435 (180deg=-0.382) USER MOD ----------------------------------------------------------------- ATOM 1 N MET B -14 30.167 -33.810 11.157 1.00 0.00 N ATOM 2 CA MET B -14 30.906 -34.529 10.098 1.00 0.00 C ATOM 3 C MET B -14 32.353 -34.061 10.050 1.00 0.00 C ATOM 4 O MET B -14 32.630 -32.901 9.736 1.00 0.00 O ATOM 5 CB MET B -14 30.239 -34.310 8.735 1.00 0.00 C ATOM 6 CG MET B -14 30.955 -35.005 7.585 1.00 0.00 C ATOM 7 SD MET B -14 30.150 -34.738 5.991 1.00 0.00 S ATOM 8 CE MET B -14 28.595 -35.596 6.241 1.00 0.00 C ATOM 0 H1 MET B -14 29.181 -34.140 11.178 1.00 0.00 H new ATOM 0 H2 MET B -14 30.613 -33.994 12.078 1.00 0.00 H new ATOM 0 H3 MET B -14 30.186 -32.789 10.961 1.00 0.00 H new ATOM 0 HA MET B -14 30.888 -35.594 10.330 1.00 0.00 H new ATOM 0 HB2 MET B -14 29.211 -34.669 8.782 1.00 0.00 H new ATOM 0 HB3 MET B -14 30.194 -33.240 8.530 1.00 0.00 H new ATOM 0 HG2 MET B -14 31.982 -34.644 7.532 1.00 0.00 H new ATOM 0 HG3 MET B -14 31.003 -36.075 7.787 1.00 0.00 H new ATOM 0 HE1 MET B -14 28.132 -35.799 5.275 1.00 0.00 H new ATOM 0 HE2 MET B -14 28.778 -36.537 6.760 1.00 0.00 H new ATOM 0 HE3 MET B -14 27.929 -34.975 6.839 1.00 0.00 H new ATOM 20 N ALA B -13 33.270 -34.963 10.372 1.00 0.00 N ATOM 21 CA ALA B -13 34.693 -34.660 10.340 1.00 0.00 C ATOM 22 C ALA B -13 35.176 -34.520 8.905 1.00 0.00 C ATOM 23 O ALA B -13 34.687 -35.220 8.016 1.00 0.00 O ATOM 24 CB ALA B -13 35.480 -35.741 11.058 1.00 0.00 C ATOM 0 H ALA B -13 33.051 -35.917 10.660 1.00 0.00 H new ATOM 0 HA ALA B -13 34.855 -33.712 10.853 1.00 0.00 H new ATOM 0 HB1 ALA B -13 36.543 -35.500 11.025 1.00 0.00 H new ATOM 0 HB2 ALA B -13 35.153 -35.800 12.096 1.00 0.00 H new ATOM 0 HB3 ALA B -13 35.310 -36.700 10.569 1.00 0.00 H new ATOM 30 N HIS B -12 36.138 -33.624 8.694 1.00 0.00 N ATOM 31 CA HIS B -12 36.656 -33.332 7.356 1.00 0.00 C ATOM 32 C HIS B -12 35.532 -32.852 6.447 1.00 0.00 C ATOM 33 O HIS B -12 35.101 -33.567 5.542 1.00 0.00 O ATOM 34 CB HIS B -12 37.347 -34.556 6.735 1.00 0.00 C ATOM 35 CG HIS B -12 38.616 -34.957 7.422 1.00 0.00 C ATOM 36 ND1 HIS B -12 39.867 -34.681 6.913 1.00 0.00 N ATOM 37 CD2 HIS B -12 38.824 -35.630 8.577 1.00 0.00 C ATOM 38 CE1 HIS B -12 40.786 -35.165 7.724 1.00 0.00 C ATOM 39 NE2 HIS B -12 40.181 -35.746 8.741 1.00 0.00 N ATOM 0 H HIS B -12 36.578 -33.083 9.438 1.00 0.00 H new ATOM 0 HA HIS B -12 37.401 -32.542 7.457 1.00 0.00 H new ATOM 0 HB2 HIS B -12 36.655 -35.398 6.753 1.00 0.00 H new ATOM 0 HB3 HIS B -12 37.565 -34.345 5.688 1.00 0.00 H new ATOM 0 HD2 HIS B -12 38.063 -36.006 9.245 1.00 0.00 H new ATOM 0 HE1 HIS B -12 41.854 -35.097 7.580 1.00 0.00 H new ATOM 0 HE2 HIS B -12 40.646 -36.207 9.523 1.00 0.00 H new ATOM 48 N HIS B -11 35.053 -31.646 6.700 1.00 0.00 N ATOM 49 CA HIS B -11 33.963 -31.084 5.920 1.00 0.00 C ATOM 50 C HIS B -11 34.431 -29.848 5.163 1.00 0.00 C ATOM 51 O HIS B -11 35.057 -28.956 5.738 1.00 0.00 O ATOM 52 CB HIS B -11 32.756 -30.745 6.814 1.00 0.00 C ATOM 53 CG HIS B -11 33.012 -29.676 7.841 1.00 0.00 C ATOM 54 ND1 HIS B -11 32.746 -28.340 7.622 1.00 0.00 N ATOM 55 CD2 HIS B -11 33.503 -29.755 9.100 1.00 0.00 C ATOM 56 CE1 HIS B -11 33.067 -27.646 8.699 1.00 0.00 C ATOM 57 NE2 HIS B -11 33.527 -28.481 9.610 1.00 0.00 N ATOM 0 H HIS B -11 35.402 -31.037 7.440 1.00 0.00 H new ATOM 0 HA HIS B -11 33.645 -31.835 5.197 1.00 0.00 H new ATOM 0 HB2 HIS B -11 31.929 -30.428 6.179 1.00 0.00 H new ATOM 0 HB3 HIS B -11 32.435 -31.652 7.326 1.00 0.00 H new ATOM 0 HD2 HIS B -11 33.818 -30.654 9.609 1.00 0.00 H new ATOM 0 HE1 HIS B -11 32.969 -26.577 8.814 1.00 0.00 H new ATOM 0 HE2 HIS B -11 33.849 -28.222 10.543 1.00 0.00 H new ATOM 66 N HIS B -10 34.131 -29.800 3.877 1.00 0.00 N ATOM 67 CA HIS B -10 34.502 -28.660 3.055 1.00 0.00 C ATOM 68 C HIS B -10 33.266 -28.063 2.396 1.00 0.00 C ATOM 69 O HIS B -10 32.551 -28.742 1.661 1.00 0.00 O ATOM 70 CB HIS B -10 35.566 -29.043 2.006 1.00 0.00 C ATOM 71 CG HIS B -10 35.177 -30.157 1.075 1.00 0.00 C ATOM 72 ND1 HIS B -10 35.434 -31.485 1.341 1.00 0.00 N ATOM 73 CD2 HIS B -10 34.568 -30.130 -0.135 1.00 0.00 C ATOM 74 CE1 HIS B -10 34.999 -32.225 0.337 1.00 0.00 C ATOM 75 NE2 HIS B -10 34.470 -31.427 -0.568 1.00 0.00 N ATOM 0 H HIS B -10 33.632 -30.537 3.379 1.00 0.00 H new ATOM 0 HA HIS B -10 34.947 -27.904 3.701 1.00 0.00 H new ATOM 0 HB2 HIS B -10 35.801 -28.160 1.412 1.00 0.00 H new ATOM 0 HB3 HIS B -10 36.480 -29.329 2.527 1.00 0.00 H new ATOM 0 HD2 HIS B -10 34.224 -29.251 -0.660 1.00 0.00 H new ATOM 0 HE1 HIS B -10 35.066 -33.301 0.270 1.00 0.00 H new ATOM 0 HE2 HIS B -10 34.054 -31.726 -1.450 1.00 0.00 H new ATOM 84 N HIS B -9 33.006 -26.794 2.677 1.00 0.00 N ATOM 85 CA HIS B -9 31.831 -26.122 2.134 1.00 0.00 C ATOM 86 C HIS B -9 32.123 -25.569 0.742 1.00 0.00 C ATOM 87 O HIS B -9 31.220 -25.126 0.036 1.00 0.00 O ATOM 88 CB HIS B -9 31.338 -25.011 3.078 1.00 0.00 C ATOM 89 CG HIS B -9 32.300 -23.876 3.281 1.00 0.00 C ATOM 90 ND1 HIS B -9 33.219 -23.841 4.308 1.00 0.00 N ATOM 91 CD2 HIS B -9 32.469 -22.724 2.590 1.00 0.00 C ATOM 92 CE1 HIS B -9 33.909 -22.717 4.240 1.00 0.00 C ATOM 93 NE2 HIS B -9 33.474 -22.021 3.206 1.00 0.00 N ATOM 0 H HIS B -9 33.590 -26.210 3.276 1.00 0.00 H new ATOM 0 HA HIS B -9 31.032 -26.858 2.047 1.00 0.00 H new ATOM 0 HB2 HIS B -9 30.404 -24.610 2.685 1.00 0.00 H new ATOM 0 HB3 HIS B -9 31.112 -25.453 4.048 1.00 0.00 H new ATOM 0 HD2 HIS B -9 31.915 -22.415 1.716 1.00 0.00 H new ATOM 0 HE1 HIS B -9 34.696 -22.418 4.916 1.00 0.00 H new ATOM 0 HE2 HIS B -9 33.827 -21.110 2.913 1.00 0.00 H new ATOM 102 N HIS B -8 33.393 -25.598 0.354 1.00 0.00 N ATOM 103 CA HIS B -8 33.790 -25.190 -0.989 1.00 0.00 C ATOM 104 C HIS B -8 33.616 -26.347 -1.965 1.00 0.00 C ATOM 105 O HIS B -8 34.591 -26.951 -2.411 1.00 0.00 O ATOM 106 CB HIS B -8 35.245 -24.706 -1.019 1.00 0.00 C ATOM 107 CG HIS B -8 35.458 -23.367 -0.386 1.00 0.00 C ATOM 108 ND1 HIS B -8 36.559 -23.062 0.385 1.00 0.00 N ATOM 109 CD2 HIS B -8 34.713 -22.238 -0.431 1.00 0.00 C ATOM 110 CE1 HIS B -8 36.481 -21.807 0.785 1.00 0.00 C ATOM 111 NE2 HIS B -8 35.371 -21.285 0.305 1.00 0.00 N ATOM 0 H HIS B -8 34.165 -25.899 0.949 1.00 0.00 H new ATOM 0 HA HIS B -8 33.147 -24.362 -1.287 1.00 0.00 H new ATOM 0 HB2 HIS B -8 35.871 -25.440 -0.511 1.00 0.00 H new ATOM 0 HB3 HIS B -8 35.581 -24.663 -2.055 1.00 0.00 H new ATOM 0 HD2 HIS B -8 33.774 -22.111 -0.950 1.00 0.00 H new ATOM 0 HE1 HIS B -8 37.205 -21.295 1.402 1.00 0.00 H new ATOM 0 HE2 HIS B -8 35.052 -20.328 0.456 1.00 0.00 H new ATOM 120 N HIS B -7 32.368 -26.667 -2.271 1.00 0.00 N ATOM 121 CA HIS B -7 32.068 -27.724 -3.225 1.00 0.00 C ATOM 122 C HIS B -7 31.913 -27.135 -4.620 1.00 0.00 C ATOM 123 O HIS B -7 32.483 -27.639 -5.586 1.00 0.00 O ATOM 124 CB HIS B -7 30.792 -28.470 -2.816 1.00 0.00 C ATOM 125 CG HIS B -7 30.450 -29.628 -3.709 1.00 0.00 C ATOM 126 ND1 HIS B -7 30.872 -30.915 -3.466 1.00 0.00 N ATOM 127 CD2 HIS B -7 29.717 -29.686 -4.846 1.00 0.00 C ATOM 128 CE1 HIS B -7 30.418 -31.713 -4.414 1.00 0.00 C ATOM 129 NE2 HIS B -7 29.713 -30.993 -5.264 1.00 0.00 N ATOM 0 H HIS B -7 31.547 -26.211 -1.873 1.00 0.00 H new ATOM 0 HA HIS B -7 32.894 -28.435 -3.232 1.00 0.00 H new ATOM 0 HB2 HIS B -7 30.907 -28.833 -1.795 1.00 0.00 H new ATOM 0 HB3 HIS B -7 29.958 -27.768 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS B -7 29.226 -28.857 -5.334 1.00 0.00 H new ATOM 0 HE1 HIS B -7 30.594 -32.776 -4.482 1.00 0.00 H new ATOM 0 HE2 HIS B -7 29.242 -31.349 -6.096 1.00 0.00 H new ATOM 138 N VAL B -6 31.140 -26.064 -4.711 1.00 0.00 N ATOM 139 CA VAL B -6 30.890 -25.405 -5.983 1.00 0.00 C ATOM 140 C VAL B -6 30.760 -23.892 -5.801 1.00 0.00 C ATOM 141 O VAL B -6 31.254 -23.113 -6.617 1.00 0.00 O ATOM 142 CB VAL B -6 29.623 -25.972 -6.672 1.00 0.00 C ATOM 143 CG1 VAL B -6 28.422 -25.935 -5.741 1.00 0.00 C ATOM 144 CG2 VAL B -6 29.322 -25.220 -7.962 1.00 0.00 C ATOM 0 H VAL B -6 30.673 -25.631 -3.914 1.00 0.00 H new ATOM 0 HA VAL B -6 31.747 -25.605 -6.627 1.00 0.00 H new ATOM 0 HB VAL B -6 29.824 -27.014 -6.920 1.00 0.00 H new ATOM 0 HG11 VAL B -6 27.550 -26.340 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL B -6 28.630 -26.534 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL B -6 28.223 -24.905 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL B -6 28.428 -25.637 -8.426 1.00 0.00 H new ATOM 0 HG22 VAL B -6 29.157 -24.166 -7.739 1.00 0.00 H new ATOM 0 HG23 VAL B -6 30.165 -25.318 -8.646 1.00 0.00 H new ATOM 154 N ASP B -5 30.117 -23.481 -4.714 1.00 0.00 N ATOM 155 CA ASP B -5 29.922 -22.066 -4.435 1.00 0.00 C ATOM 156 C ASP B -5 31.082 -21.531 -3.617 1.00 0.00 C ATOM 157 O ASP B -5 31.057 -21.564 -2.387 1.00 0.00 O ATOM 158 CB ASP B -5 28.611 -21.828 -3.679 1.00 0.00 C ATOM 159 CG ASP B -5 27.388 -22.222 -4.478 1.00 0.00 C ATOM 160 OD1 ASP B -5 26.890 -23.352 -4.288 1.00 0.00 O ATOM 161 OD2 ASP B -5 26.906 -21.403 -5.290 1.00 0.00 O1- ATOM 0 H ASP B -5 29.723 -24.108 -4.013 1.00 0.00 H new ATOM 0 HA ASP B -5 29.873 -21.540 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP B -5 28.627 -22.394 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP B -5 28.539 -20.774 -3.411 1.00 0.00 H new ATOM 166 N ASP B -4 32.111 -21.051 -4.300 1.00 0.00 N ATOM 167 CA ASP B -4 33.272 -20.489 -3.619 1.00 0.00 C ATOM 168 C ASP B -4 32.982 -19.054 -3.199 1.00 0.00 C ATOM 169 O ASP B -4 33.769 -18.430 -2.492 1.00 0.00 O ATOM 170 CB ASP B -4 34.524 -20.547 -4.503 1.00 0.00 C ATOM 171 CG ASP B -4 34.539 -19.490 -5.590 1.00 0.00 C ATOM 172 OD1 ASP B -4 33.769 -19.622 -6.564 1.00 0.00 O ATOM 173 OD2 ASP B -4 35.333 -18.533 -5.485 1.00 0.00 O1- ATOM 0 H ASP B -4 32.168 -21.038 -5.318 1.00 0.00 H new ATOM 0 HA ASP B -4 33.469 -21.090 -2.731 1.00 0.00 H new ATOM 0 HB2 ASP B -4 35.408 -20.427 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP B -4 34.590 -21.533 -4.963 1.00 0.00 H new ATOM 178 N ASP B -3 31.846 -18.540 -3.640 1.00 0.00 N ATOM 179 CA ASP B -3 31.403 -17.208 -3.258 1.00 0.00 C ATOM 180 C ASP B -3 29.991 -17.280 -2.699 1.00 0.00 C ATOM 181 O ASP B -3 29.197 -18.128 -3.111 1.00 0.00 O ATOM 182 CB ASP B -3 31.448 -16.249 -4.454 1.00 0.00 C ATOM 183 CG ASP B -3 30.425 -16.587 -5.523 1.00 0.00 C ATOM 184 OD1 ASP B -3 30.654 -17.545 -6.291 1.00 0.00 O ATOM 185 OD2 ASP B -3 29.395 -15.888 -5.612 1.00 0.00 O1- ATOM 0 H ASP B -3 31.209 -19.029 -4.268 1.00 0.00 H new ATOM 0 HA ASP B -3 32.078 -16.825 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP B -3 31.276 -15.231 -4.103 1.00 0.00 H new ATOM 0 HB3 ASP B -3 32.445 -16.271 -4.893 1.00 0.00 H new ATOM 190 N ASP B -2 29.687 -16.407 -1.754 1.00 0.00 N ATOM 191 CA ASP B -2 28.367 -16.374 -1.143 1.00 0.00 C ATOM 192 C ASP B -2 27.705 -15.034 -1.423 1.00 0.00 C ATOM 193 O ASP B -2 28.343 -14.115 -1.938 1.00 0.00 O ATOM 194 CB ASP B -2 28.451 -16.619 0.370 1.00 0.00 C ATOM 195 CG ASP B -2 28.941 -18.013 0.719 1.00 0.00 C ATOM 196 OD1 ASP B -2 30.170 -18.199 0.869 1.00 0.00 O ATOM 197 OD2 ASP B -2 28.099 -18.930 0.862 1.00 0.00 O1- ATOM 0 H ASP B -2 30.337 -15.710 -1.392 1.00 0.00 H new ATOM 0 HA ASP B -2 27.766 -17.172 -1.579 1.00 0.00 H new ATOM 0 HB2 ASP B -2 29.120 -15.883 0.815 1.00 0.00 H new ATOM 0 HB3 ASP B -2 27.467 -16.464 0.813 1.00 0.00 H new ATOM 202 N LYS B -1 26.435 -14.918 -1.077 1.00 0.00 N ATOM 203 CA LYS B -1 25.678 -13.711 -1.361 1.00 0.00 C ATOM 204 C LYS B -1 24.879 -13.265 -0.141 1.00 0.00 C ATOM 205 O LYS B -1 23.648 -13.306 -0.129 1.00 0.00 O ATOM 206 CB LYS B -1 24.757 -13.925 -2.570 1.00 0.00 C ATOM 207 CG LYS B -1 23.921 -15.200 -2.504 1.00 0.00 C ATOM 208 CD LYS B -1 22.899 -15.261 -3.631 1.00 0.00 C ATOM 209 CE LYS B -1 23.561 -15.245 -4.998 1.00 0.00 C ATOM 210 NZ LYS B -1 22.565 -15.160 -6.096 1.00 0.00 N1+ ATOM 0 H LYS B -1 25.905 -15.646 -0.598 1.00 0.00 H new ATOM 0 HA LYS B -1 26.384 -12.917 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS B -1 24.087 -13.069 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS B -1 25.364 -13.949 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS B -1 24.577 -16.069 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS B -1 23.408 -15.249 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS B -1 22.299 -16.166 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS B -1 22.217 -14.415 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS B -1 24.243 -14.397 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS B -1 24.161 -16.147 -5.121 1.00 0.00 H new ATOM 0 HZ1 LYS B -1 23.058 -15.152 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS B -1 21.929 -15.982 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS B -1 22.009 -14.287 -5.994 1.00 0.00 H new ATOM 224 N MET B 0 25.590 -12.842 0.891 1.00 0.00 N ATOM 225 CA MET B 0 24.952 -12.332 2.095 1.00 0.00 C ATOM 226 C MET B 0 24.481 -10.904 1.860 1.00 0.00 C ATOM 227 O MET B 0 23.350 -10.548 2.190 1.00 0.00 O ATOM 228 CB MET B 0 25.925 -12.401 3.281 1.00 0.00 C ATOM 229 CG MET B 0 25.321 -11.990 4.622 1.00 0.00 C ATOM 230 SD MET B 0 25.151 -10.202 4.815 1.00 0.00 S ATOM 231 CE MET B 0 24.406 -10.111 6.442 1.00 0.00 C ATOM 0 H MET B 0 26.610 -12.841 0.920 1.00 0.00 H new ATOM 0 HA MET B 0 24.085 -12.949 2.333 1.00 0.00 H new ATOM 0 HB2 MET B 0 26.304 -13.420 3.365 1.00 0.00 H new ATOM 0 HB3 MET B 0 26.780 -11.759 3.070 1.00 0.00 H new ATOM 0 HG2 MET B 0 24.340 -12.454 4.728 1.00 0.00 H new ATOM 0 HG3 MET B 0 25.945 -12.377 5.427 1.00 0.00 H new ATOM 0 HE1 MET B 0 24.237 -9.067 6.707 1.00 0.00 H new ATOM 0 HE2 MET B 0 23.454 -10.642 6.437 1.00 0.00 H new ATOM 0 HE3 MET B 0 25.073 -10.568 7.173 1.00 0.00 H new ATOM 241 N GLU B 1 25.348 -10.097 1.270 1.00 0.00 N ATOM 242 CA GLU B 1 25.019 -8.718 0.963 1.00 0.00 C ATOM 243 C GLU B 1 24.132 -8.660 -0.279 1.00 0.00 C ATOM 244 O GLU B 1 24.626 -8.645 -1.408 1.00 0.00 O ATOM 245 CB GLU B 1 26.304 -7.913 0.741 1.00 0.00 C ATOM 246 CG GLU B 1 26.086 -6.412 0.634 1.00 0.00 C ATOM 247 CD GLU B 1 25.520 -5.814 1.904 1.00 0.00 C ATOM 248 OE1 GLU B 1 26.231 -5.812 2.934 1.00 0.00 O ATOM 249 OE2 GLU B 1 24.368 -5.336 1.879 1.00 0.00 O1- ATOM 0 H GLU B 1 26.289 -10.377 0.994 1.00 0.00 H new ATOM 0 HA GLU B 1 24.475 -8.283 1.801 1.00 0.00 H new ATOM 0 HB2 GLU B 1 26.991 -8.112 1.564 1.00 0.00 H new ATOM 0 HB3 GLU B 1 26.788 -8.265 -0.170 1.00 0.00 H new ATOM 0 HG2 GLU B 1 27.033 -5.927 0.399 1.00 0.00 H new ATOM 0 HG3 GLU B 1 25.408 -6.205 -0.194 1.00 0.00 H new ATOM 256 N ASP B 2 22.823 -8.655 -0.069 1.00 0.00 N ATOM 257 CA ASP B 2 21.876 -8.600 -1.176 1.00 0.00 C ATOM 258 C ASP B 2 21.451 -7.167 -1.430 1.00 0.00 C ATOM 259 O ASP B 2 20.821 -6.536 -0.585 1.00 0.00 O ATOM 260 CB ASP B 2 20.641 -9.460 -0.894 1.00 0.00 C ATOM 261 CG ASP B 2 19.684 -9.503 -2.077 1.00 0.00 C ATOM 262 OD1 ASP B 2 19.823 -10.409 -2.924 1.00 0.00 O ATOM 263 OD2 ASP B 2 18.782 -8.644 -2.162 1.00 0.00 O1- ATOM 0 H ASP B 2 22.392 -8.688 0.855 1.00 0.00 H new ATOM 0 HA ASP B 2 22.375 -8.994 -2.061 1.00 0.00 H new ATOM 0 HB2 ASP B 2 20.956 -10.474 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP B 2 20.119 -9.067 -0.021 1.00 0.00 H new ATOM 268 N THR B 3 21.816 -6.653 -2.586 1.00 0.00 N ATOM 269 CA THR B 3 21.430 -5.312 -2.975 1.00 0.00 C ATOM 270 C THR B 3 20.390 -5.379 -4.091 1.00 0.00 C ATOM 271 O THR B 3 19.900 -4.359 -4.575 1.00 0.00 O ATOM 272 CB THR B 3 22.661 -4.507 -3.437 1.00 0.00 C ATOM 273 OG1 THR B 3 23.771 -4.789 -2.571 1.00 0.00 O ATOM 274 CG2 THR B 3 22.377 -3.013 -3.412 1.00 0.00 C ATOM 0 H THR B 3 22.382 -7.146 -3.276 1.00 0.00 H new ATOM 0 HA THR B 3 20.996 -4.806 -2.113 1.00 0.00 H new ATOM 0 HB THR B 3 22.897 -4.800 -4.460 1.00 0.00 H new ATOM 0 HG1 THR B 3 24.554 -4.279 -2.866 1.00 0.00 H new ATOM 0 HG21 THR B 3 23.262 -2.469 -3.742 1.00 0.00 H new ATOM 0 HG22 THR B 3 21.544 -2.790 -4.078 1.00 0.00 H new ATOM 0 HG23 THR B 3 22.122 -2.708 -2.397 1.00 0.00 H new ATOM 282 N ALA B 4 20.051 -6.604 -4.483 1.00 0.00 N ATOM 283 CA ALA B 4 19.077 -6.832 -5.537 1.00 0.00 C ATOM 284 C ALA B 4 17.684 -6.407 -5.089 1.00 0.00 C ATOM 285 O ALA B 4 17.019 -5.620 -5.764 1.00 0.00 O ATOM 286 CB ALA B 4 19.083 -8.295 -5.954 1.00 0.00 C ATOM 0 H ALA B 4 20.441 -7.456 -4.081 1.00 0.00 H new ATOM 0 HA ALA B 4 19.354 -6.224 -6.398 1.00 0.00 H new ATOM 0 HB1 ALA B 4 18.349 -8.451 -6.744 1.00 0.00 H new ATOM 0 HB2 ALA B 4 20.073 -8.565 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA B 4 18.831 -8.919 -5.096 1.00 0.00 H new ATOM 292 N ASN B 5 17.244 -6.916 -3.946 1.00 0.00 N ATOM 293 CA ASN B 5 15.930 -6.562 -3.422 1.00 0.00 C ATOM 294 C ASN B 5 16.067 -5.654 -2.212 1.00 0.00 C ATOM 295 O ASN B 5 16.725 -6.003 -1.231 1.00 0.00 O ATOM 296 CB ASN B 5 15.113 -7.799 -3.038 1.00 0.00 C ATOM 297 CG ASN B 5 14.665 -8.623 -4.232 1.00 0.00 C ATOM 298 OD1 ASN B 5 15.361 -8.709 -5.246 1.00 0.00 O ATOM 299 ND2 ASN B 5 13.500 -9.240 -4.120 1.00 0.00 N ATOM 0 H ASN B 5 17.772 -7.570 -3.368 1.00 0.00 H new ATOM 0 HA ASN B 5 15.400 -6.038 -4.218 1.00 0.00 H new ATOM 0 HB2 ASN B 5 15.709 -8.427 -2.376 1.00 0.00 H new ATOM 0 HB3 ASN B 5 14.235 -7.484 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.149 -9.811 -4.889 1.00 0.00 H new ATOM 0 HD22 ASN B 5 12.953 -9.145 -3.265 1.00 0.00 H new ATOM 306 N PRO B 6 15.450 -4.473 -2.277 1.00 0.00 N ATOM 307 CA PRO B 6 15.455 -3.516 -1.179 1.00 0.00 C ATOM 308 C PRO B 6 14.415 -3.865 -0.117 1.00 0.00 C ATOM 309 O PRO B 6 13.276 -4.215 -0.438 1.00 0.00 O ATOM 310 CB PRO B 6 15.104 -2.201 -1.873 1.00 0.00 C ATOM 311 CG PRO B 6 14.249 -2.598 -3.028 1.00 0.00 C ATOM 312 CD PRO B 6 14.693 -3.981 -3.438 1.00 0.00 C ATOM 0 HA PRO B 6 16.406 -3.490 -0.646 1.00 0.00 H new ATOM 0 HB2 PRO B 6 14.573 -1.528 -1.200 1.00 0.00 H new ATOM 0 HB3 PRO B 6 16.000 -1.677 -2.206 1.00 0.00 H new ATOM 0 HG2 PRO B 6 13.195 -2.596 -2.749 1.00 0.00 H new ATOM 0 HG3 PRO B 6 14.361 -1.895 -3.853 1.00 0.00 H new ATOM 0 HD2 PRO B 6 13.841 -4.624 -3.660 1.00 0.00 H new ATOM 0 HD3 PRO B 6 15.312 -3.952 -4.334 1.00 0.00 H new ATOM 320 N ASN B 7 14.804 -3.770 1.146 1.00 0.00 N ATOM 321 CA ASN B 7 13.890 -4.066 2.247 1.00 0.00 C ATOM 322 C ASN B 7 12.935 -2.899 2.472 1.00 0.00 C ATOM 323 O ASN B 7 11.989 -2.991 3.254 1.00 0.00 O ATOM 324 CB ASN B 7 14.662 -4.365 3.540 1.00 0.00 C ATOM 325 CG ASN B 7 15.331 -3.135 4.134 1.00 0.00 C ATOM 326 OD1 ASN B 7 15.721 -2.215 3.417 1.00 0.00 O ATOM 327 ND2 ASN B 7 15.474 -3.113 5.449 1.00 0.00 N ATOM 0 H ASN B 7 15.741 -3.492 1.436 1.00 0.00 H new ATOM 0 HA ASN B 7 13.315 -4.952 1.976 1.00 0.00 H new ATOM 0 HB2 ASN B 7 13.978 -4.789 4.275 1.00 0.00 H new ATOM 0 HB3 ASN B 7 15.420 -5.121 3.337 1.00 0.00 H new ATOM 0 HD21 ASN B 7 15.920 -2.314 5.900 1.00 0.00 H new ATOM 0 HD22 ASN B 7 15.138 -3.895 6.012 1.00 0.00 H new ATOM 334 N GLU B 8 13.192 -1.802 1.779 1.00 0.00 N ATOM 335 CA GLU B 8 12.378 -0.608 1.896 1.00 0.00 C ATOM 336 C GLU B 8 12.075 -0.045 0.514 1.00 0.00 C ATOM 337 O GLU B 8 12.957 0.043 -0.341 1.00 0.00 O ATOM 338 CB GLU B 8 13.097 0.433 2.757 1.00 0.00 C ATOM 339 CG GLU B 8 12.324 1.728 2.932 1.00 0.00 C ATOM 340 CD GLU B 8 13.032 2.706 3.846 1.00 0.00 C ATOM 341 OE1 GLU B 8 12.558 2.916 4.983 1.00 0.00 O ATOM 342 OE2 GLU B 8 14.071 3.264 3.436 1.00 0.00 O1- ATOM 0 H GLU B 8 13.968 -1.716 1.123 1.00 0.00 H new ATOM 0 HA GLU B 8 11.435 -0.865 2.378 1.00 0.00 H new ATOM 0 HB2 GLU B 8 13.294 0.004 3.739 1.00 0.00 H new ATOM 0 HB3 GLU B 8 14.064 0.657 2.307 1.00 0.00 H new ATOM 0 HG2 GLU B 8 12.172 2.191 1.957 1.00 0.00 H new ATOM 0 HG3 GLU B 8 11.337 1.506 3.337 1.00 0.00 H new ATOM 349 N MET B 9 10.822 0.316 0.300 1.00 0.00 N ATOM 350 CA MET B 9 10.383 0.894 -0.962 1.00 0.00 C ATOM 351 C MET B 9 10.165 2.391 -0.790 1.00 0.00 C ATOM 352 O MET B 9 10.115 2.883 0.329 1.00 0.00 O ATOM 353 CB MET B 9 9.082 0.229 -1.430 1.00 0.00 C ATOM 354 CG MET B 9 7.977 0.237 -0.381 1.00 0.00 C ATOM 355 SD MET B 9 8.156 -1.069 0.854 1.00 0.00 S ATOM 356 CE MET B 9 7.899 -2.531 -0.151 1.00 0.00 C ATOM 0 H MET B 9 10.080 0.218 0.993 1.00 0.00 H new ATOM 0 HA MET B 9 11.152 0.724 -1.715 1.00 0.00 H new ATOM 0 HB2 MET B 9 8.725 0.739 -2.324 1.00 0.00 H new ATOM 0 HB3 MET B 9 9.293 -0.802 -1.714 1.00 0.00 H new ATOM 0 HG2 MET B 9 7.969 1.204 0.121 1.00 0.00 H new ATOM 0 HG3 MET B 9 7.013 0.128 -0.878 1.00 0.00 H new ATOM 0 HE1 MET B 9 7.134 -3.158 0.307 1.00 0.00 H new ATOM 0 HE2 MET B 9 7.575 -2.234 -1.149 1.00 0.00 H new ATOM 0 HE3 MET B 9 8.831 -3.091 -0.224 1.00 0.00 H new ATOM 366 N THR B 10 10.060 3.116 -1.890 1.00 0.00 N ATOM 367 CA THR B 10 9.770 4.540 -1.825 1.00 0.00 C ATOM 368 C THR B 10 8.276 4.777 -1.697 1.00 0.00 C ATOM 369 O THR B 10 7.485 3.891 -2.027 1.00 0.00 O ATOM 370 CB THR B 10 10.299 5.283 -3.066 1.00 0.00 C ATOM 371 OG1 THR B 10 9.927 4.574 -4.253 1.00 0.00 O ATOM 372 CG2 THR B 10 11.809 5.428 -3.009 1.00 0.00 C ATOM 0 H THR B 10 10.170 2.746 -2.834 1.00 0.00 H new ATOM 0 HA THR B 10 10.278 4.932 -0.944 1.00 0.00 H new ATOM 0 HB THR B 10 9.857 6.279 -3.082 1.00 0.00 H new ATOM 0 HG1 THR B 10 10.265 5.052 -5.039 1.00 0.00 H new ATOM 0 HG21 THR B 10 12.158 5.956 -3.897 1.00 0.00 H new ATOM 0 HG22 THR B 10 12.087 5.992 -2.119 1.00 0.00 H new ATOM 0 HG23 THR B 10 12.268 4.440 -2.971 1.00 0.00 H new ATOM 380 N LYS B 11 7.884 5.952 -1.218 1.00 0.00 N ATOM 381 CA LYS B 11 6.472 6.268 -1.045 1.00 0.00 C ATOM 382 C LYS B 11 5.709 6.076 -2.356 1.00 0.00 C ATOM 383 O LYS B 11 4.652 5.449 -2.380 1.00 0.00 O ATOM 384 CB LYS B 11 6.295 7.700 -0.509 1.00 0.00 C ATOM 385 CG LYS B 11 6.835 8.791 -1.425 1.00 0.00 C ATOM 386 CD LYS B 11 6.847 10.153 -0.742 1.00 0.00 C ATOM 387 CE LYS B 11 5.466 10.560 -0.249 1.00 0.00 C ATOM 388 NZ LYS B 11 5.475 11.908 0.380 1.00 0.00 N1+ ATOM 0 H LYS B 11 8.522 6.699 -0.943 1.00 0.00 H new ATOM 0 HA LYS B 11 6.056 5.579 -0.309 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.234 7.881 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.793 7.776 0.458 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.847 8.534 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.225 8.843 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.539 10.130 0.100 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.218 10.904 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.766 10.554 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS B 11 5.107 9.826 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.502 12.270 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 5.879 11.842 1.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 6.050 12.556 -0.195 1.00 0.00 H new ATOM 402 N ASP B 12 6.288 6.560 -3.448 1.00 0.00 N ATOM 403 CA ASP B 12 5.645 6.504 -4.754 1.00 0.00 C ATOM 404 C ASP B 12 5.502 5.068 -5.237 1.00 0.00 C ATOM 405 O ASP B 12 4.429 4.656 -5.678 1.00 0.00 O ATOM 406 CB ASP B 12 6.445 7.316 -5.769 1.00 0.00 C ATOM 407 CG ASP B 12 5.928 7.152 -7.187 1.00 0.00 C ATOM 408 OD1 ASP B 12 4.911 7.794 -7.538 1.00 0.00 O ATOM 409 OD2 ASP B 12 6.542 6.383 -7.961 1.00 0.00 O1- ATOM 0 H ASP B 12 7.209 6.999 -3.454 1.00 0.00 H new ATOM 0 HA ASP B 12 4.647 6.931 -4.656 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.411 8.370 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.491 7.010 -5.730 1.00 0.00 H new ATOM 414 N ALA B 13 6.583 4.308 -5.136 1.00 0.00 N ATOM 415 CA ALA B 13 6.587 2.929 -5.592 1.00 0.00 C ATOM 416 C ALA B 13 5.669 2.071 -4.735 1.00 0.00 C ATOM 417 O ALA B 13 4.990 1.179 -5.244 1.00 0.00 O ATOM 418 CB ALA B 13 7.995 2.373 -5.579 1.00 0.00 C ATOM 0 H ALA B 13 7.469 4.625 -4.742 1.00 0.00 H new ATOM 0 HA ALA B 13 6.213 2.908 -6.616 1.00 0.00 H new ATOM 0 HB1 ALA B 13 7.981 1.339 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA B 13 8.627 2.967 -6.239 1.00 0.00 H new ATOM 0 HB3 ALA B 13 8.392 2.412 -4.565 1.00 0.00 H new ATOM 424 N TRP B 14 5.648 2.348 -3.436 1.00 0.00 N ATOM 425 CA TRP B 14 4.751 1.654 -2.530 1.00 0.00 C ATOM 426 C TRP B 14 3.309 1.937 -2.918 1.00 0.00 C ATOM 427 O TRP B 14 2.493 1.024 -3.021 1.00 0.00 O ATOM 428 CB TRP B 14 4.997 2.091 -1.085 1.00 0.00 C ATOM 429 CG TRP B 14 4.131 1.372 -0.095 1.00 0.00 C ATOM 430 CD1 TRP B 14 4.333 0.120 0.411 1.00 0.00 C ATOM 431 CD2 TRP B 14 2.928 1.860 0.508 1.00 0.00 C ATOM 432 NE1 TRP B 14 3.328 -0.200 1.289 1.00 0.00 N ATOM 433 CE2 TRP B 14 2.456 0.853 1.371 1.00 0.00 C ATOM 434 CE3 TRP B 14 2.205 3.051 0.404 1.00 0.00 C ATOM 435 CZ2 TRP B 14 1.297 1.003 2.125 1.00 0.00 C ATOM 436 CZ3 TRP B 14 1.054 3.199 1.153 1.00 0.00 C ATOM 437 CH2 TRP B 14 0.612 2.180 2.005 1.00 0.00 C ATOM 0 H TRP B 14 6.242 3.048 -2.991 1.00 0.00 H new ATOM 0 HA TRP B 14 4.943 0.583 -2.604 1.00 0.00 H new ATOM 0 HB2 TRP B 14 6.044 1.920 -0.834 1.00 0.00 H new ATOM 0 HB3 TRP B 14 4.820 3.163 -1.001 1.00 0.00 H new ATOM 0 HD1 TRP B 14 5.162 -0.524 0.157 1.00 0.00 H new ATOM 0 HE1 TRP B 14 3.244 -1.080 1.798 1.00 0.00 H new ATOM 0 HE3 TRP B 14 2.540 3.842 -0.251 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 0.951 0.218 2.781 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 0.486 4.115 1.080 1.00 0.00 H new ATOM 0 HH2 TRP B 14 -0.290 2.327 2.580 1.00 0.00 H new ATOM 448 N LEU B 15 3.015 3.209 -3.157 1.00 0.00 N ATOM 449 CA LEU B 15 1.683 3.633 -3.564 1.00 0.00 C ATOM 450 C LEU B 15 1.277 2.987 -4.880 1.00 0.00 C ATOM 451 O LEU B 15 0.099 2.764 -5.145 1.00 0.00 O ATOM 452 CB LEU B 15 1.636 5.148 -3.708 1.00 0.00 C ATOM 453 CG LEU B 15 1.769 5.933 -2.404 1.00 0.00 C ATOM 454 CD1 LEU B 15 1.862 7.421 -2.687 1.00 0.00 C ATOM 455 CD2 LEU B 15 0.604 5.635 -1.473 1.00 0.00 C ATOM 0 H LEU B 15 3.689 3.970 -3.075 1.00 0.00 H new ATOM 0 HA LEU B 15 0.982 3.316 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.435 5.457 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.694 5.422 -4.183 1.00 0.00 H new ATOM 0 HG LEU B 15 2.687 5.619 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.956 7.965 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.734 7.619 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.962 7.749 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.720 6.205 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.331 5.916 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.587 4.570 -1.241 1.00 0.00 H new ATOM 467 N ASN B 16 2.261 2.691 -5.699 1.00 0.00 N ATOM 468 CA ASN B 16 2.019 2.064 -6.982 1.00 0.00 C ATOM 469 C ASN B 16 1.805 0.561 -6.810 1.00 0.00 C ATOM 470 O ASN B 16 1.121 -0.078 -7.604 1.00 0.00 O ATOM 471 CB ASN B 16 3.204 2.345 -7.904 1.00 0.00 C ATOM 472 CG ASN B 16 2.976 1.884 -9.331 1.00 0.00 C ATOM 473 OD1 ASN B 16 3.288 0.750 -9.688 1.00 0.00 O ATOM 474 ND2 ASN B 16 2.440 2.766 -10.159 1.00 0.00 N ATOM 0 H ASN B 16 3.244 2.875 -5.499 1.00 0.00 H new ATOM 0 HA ASN B 16 1.114 2.478 -7.427 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.410 3.415 -7.904 1.00 0.00 H new ATOM 0 HB3 ASN B 16 4.090 1.850 -7.507 1.00 0.00 H new ATOM 0 HD21 ASN B 16 2.272 2.514 -11.133 1.00 0.00 H new ATOM 0 HD22 ASN B 16 2.195 3.697 -9.823 1.00 0.00 H new ATOM 481 N SER B 17 2.380 0.012 -5.750 1.00 0.00 N ATOM 482 CA SER B 17 2.326 -1.422 -5.498 1.00 0.00 C ATOM 483 C SER B 17 1.130 -1.824 -4.624 1.00 0.00 C ATOM 484 O SER B 17 0.582 -2.914 -4.783 1.00 0.00 O ATOM 485 CB SER B 17 3.629 -1.873 -4.835 1.00 0.00 C ATOM 486 OG SER B 17 4.752 -1.552 -5.641 1.00 0.00 O ATOM 0 H SER B 17 2.893 0.542 -5.045 1.00 0.00 H new ATOM 0 HA SER B 17 2.199 -1.918 -6.460 1.00 0.00 H new ATOM 0 HB2 SER B 17 3.729 -1.395 -3.860 1.00 0.00 H new ATOM 0 HB3 SER B 17 3.598 -2.949 -4.661 1.00 0.00 H new ATOM 0 HG SER B 17 4.934 -0.591 -5.580 1.00 0.00 H new ATOM 492 N MET B 18 0.714 -0.941 -3.720 1.00 0.00 N ATOM 493 CA MET B 18 -0.255 -1.309 -2.684 1.00 0.00 C ATOM 494 C MET B 18 -1.679 -1.021 -3.136 1.00 0.00 C ATOM 495 O MET B 18 -2.627 -1.643 -2.658 1.00 0.00 O ATOM 496 CB MET B 18 0.041 -0.573 -1.363 1.00 0.00 C ATOM 497 CG MET B 18 -0.862 0.624 -1.094 1.00 0.00 C ATOM 498 SD MET B 18 -0.564 1.979 -2.240 1.00 0.00 S ATOM 499 CE MET B 18 -1.897 3.104 -1.840 1.00 0.00 C ATOM 0 H MET B 18 1.028 0.029 -3.681 1.00 0.00 H new ATOM 0 HA MET B 18 -0.159 -2.381 -2.513 1.00 0.00 H new ATOM 0 HB2 MET B 18 -0.056 -1.279 -0.538 1.00 0.00 H new ATOM 0 HB3 MET B 18 1.077 -0.236 -1.373 1.00 0.00 H new ATOM 0 HG2 MET B 18 -1.904 0.313 -1.166 1.00 0.00 H new ATOM 0 HG3 MET B 18 -0.704 0.973 -0.074 1.00 0.00 H new ATOM 0 HE1 MET B 18 -1.986 3.856 -2.624 1.00 0.00 H new ATOM 0 HE2 MET B 18 -2.831 2.548 -1.762 1.00 0.00 H new ATOM 0 HE3 MET B 18 -1.687 3.594 -0.889 1.00 0.00 H new ATOM 509 N THR B 19 -1.810 -0.085 -4.066 1.00 0.00 N ATOM 510 CA THR B 19 -3.109 0.356 -4.556 1.00 0.00 C ATOM 511 C THR B 19 -4.011 -0.809 -4.979 1.00 0.00 C ATOM 512 O THR B 19 -5.152 -0.896 -4.529 1.00 0.00 O ATOM 513 CB THR B 19 -2.942 1.341 -5.726 1.00 0.00 C ATOM 514 OG1 THR B 19 -1.650 1.172 -6.326 1.00 0.00 O ATOM 515 CG2 THR B 19 -3.098 2.778 -5.261 1.00 0.00 C ATOM 0 H THR B 19 -1.019 0.390 -4.502 1.00 0.00 H new ATOM 0 HA THR B 19 -3.599 0.859 -3.723 1.00 0.00 H new ATOM 0 HB THR B 19 -3.721 1.128 -6.458 1.00 0.00 H new ATOM 0 HG1 THR B 19 -1.093 1.954 -6.130 1.00 0.00 H new ATOM 0 HG21 THR B 19 -2.975 3.451 -6.110 1.00 0.00 H new ATOM 0 HG22 THR B 19 -4.090 2.915 -4.830 1.00 0.00 H new ATOM 0 HG23 THR B 19 -2.342 3.001 -4.509 1.00 0.00 H new ATOM 523 N PRO B 20 -3.527 -1.734 -5.831 1.00 0.00 N ATOM 524 CA PRO B 20 -4.342 -2.849 -6.304 1.00 0.00 C ATOM 525 C PRO B 20 -4.427 -3.993 -5.297 1.00 0.00 C ATOM 526 O PRO B 20 -5.151 -4.964 -5.506 1.00 0.00 O ATOM 527 CB PRO B 20 -3.608 -3.275 -7.566 1.00 0.00 C ATOM 528 CG PRO B 20 -2.173 -2.997 -7.270 1.00 0.00 C ATOM 529 CD PRO B 20 -2.164 -1.770 -6.409 1.00 0.00 C ATOM 0 HA PRO B 20 -5.383 -2.568 -6.467 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -3.772 -4.330 -7.784 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -3.951 -2.713 -8.435 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -1.710 -3.839 -6.756 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -1.609 -2.835 -8.188 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -1.402 -1.832 -5.632 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -1.953 -0.874 -6.992 1.00 0.00 H new ATOM 537 N LEU B 21 -3.697 -3.866 -4.199 1.00 0.00 N ATOM 538 CA LEU B 21 -3.710 -4.878 -3.149 1.00 0.00 C ATOM 539 C LEU B 21 -4.776 -4.550 -2.114 1.00 0.00 C ATOM 540 O LEU B 21 -5.204 -5.411 -1.346 1.00 0.00 O ATOM 541 CB LEU B 21 -2.341 -4.963 -2.473 1.00 0.00 C ATOM 542 CG LEU B 21 -1.181 -5.371 -3.383 1.00 0.00 C ATOM 543 CD1 LEU B 21 0.120 -5.390 -2.600 1.00 0.00 C ATOM 544 CD2 LEU B 21 -1.443 -6.731 -4.013 1.00 0.00 C ATOM 0 H LEU B 21 -3.086 -3.071 -4.010 1.00 0.00 H new ATOM 0 HA LEU B 21 -3.940 -5.842 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -2.111 -3.992 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -2.404 -5.677 -1.652 1.00 0.00 H new ATOM 0 HG LEU B 21 -1.096 -4.636 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU B 21 0.937 -5.682 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU B 21 0.316 -4.397 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU B 21 0.041 -6.105 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -0.606 -7.001 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -1.555 -7.480 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -2.357 -6.687 -4.606 1.00 0.00 H new ATOM 556 N LEU B 22 -5.203 -3.298 -2.113 1.00 0.00 N ATOM 557 CA LEU B 22 -6.195 -2.818 -1.162 1.00 0.00 C ATOM 558 C LEU B 22 -7.587 -3.416 -1.422 1.00 0.00 C ATOM 559 O LEU B 22 -8.235 -3.864 -0.479 1.00 0.00 O ATOM 560 CB LEU B 22 -6.254 -1.286 -1.190 1.00 0.00 C ATOM 561 CG LEU B 22 -4.939 -0.581 -0.846 1.00 0.00 C ATOM 562 CD1 LEU B 22 -5.067 0.919 -1.053 1.00 0.00 C ATOM 563 CD2 LEU B 22 -4.525 -0.884 0.587 1.00 0.00 C ATOM 0 H LEU B 22 -4.874 -2.588 -2.767 1.00 0.00 H new ATOM 0 HA LEU B 22 -5.885 -3.149 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.570 -0.968 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.021 -0.954 -0.490 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.166 -0.959 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.123 1.403 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.315 1.123 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -5.856 1.309 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.588 -0.373 0.811 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.300 -0.537 1.271 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.390 -1.959 0.707 1.00 0.00 H new ATOM 575 N PRO B 23 -8.072 -3.436 -2.692 1.00 0.00 N ATOM 576 CA PRO B 23 -9.401 -3.968 -3.041 1.00 0.00 C ATOM 577 C PRO B 23 -9.775 -5.273 -2.337 1.00 0.00 C ATOM 578 O PRO B 23 -10.923 -5.442 -1.918 1.00 0.00 O ATOM 579 CB PRO B 23 -9.279 -4.174 -4.545 1.00 0.00 C ATOM 580 CG PRO B 23 -8.428 -3.041 -4.974 1.00 0.00 C ATOM 581 CD PRO B 23 -7.393 -2.912 -3.899 1.00 0.00 C ATOM 0 HA PRO B 23 -10.196 -3.291 -2.728 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -8.822 -5.134 -4.784 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -10.253 -4.154 -5.034 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -7.969 -3.236 -5.943 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -9.010 -2.125 -5.075 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.497 -3.486 -4.135 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -7.082 -1.876 -3.765 1.00 0.00 H new ATOM 589 N ASP B 24 -8.819 -6.186 -2.198 1.00 0.00 N ATOM 590 CA ASP B 24 -9.081 -7.444 -1.509 1.00 0.00 C ATOM 591 C ASP B 24 -9.388 -7.193 -0.040 1.00 0.00 C ATOM 592 O ASP B 24 -10.462 -7.546 0.446 1.00 0.00 O ATOM 593 CB ASP B 24 -7.894 -8.401 -1.624 1.00 0.00 C ATOM 594 CG ASP B 24 -8.110 -9.680 -0.828 1.00 0.00 C ATOM 595 OD1 ASP B 24 -7.606 -9.774 0.312 1.00 0.00 O ATOM 596 OD2 ASP B 24 -8.790 -10.597 -1.334 1.00 0.00 O1- ATOM 0 H ASP B 24 -7.867 -6.081 -2.549 1.00 0.00 H new ATOM 0 HA ASP B 24 -9.945 -7.905 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -7.730 -8.650 -2.672 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.992 -7.903 -1.270 1.00 0.00 H new ATOM 601 N LEU B 25 -8.447 -6.551 0.643 1.00 0.00 N ATOM 602 CA LEU B 25 -8.565 -6.275 2.070 1.00 0.00 C ATOM 603 C LEU B 25 -9.849 -5.512 2.373 1.00 0.00 C ATOM 604 O LEU B 25 -10.479 -5.718 3.413 1.00 0.00 O ATOM 605 CB LEU B 25 -7.362 -5.456 2.543 1.00 0.00 C ATOM 606 CG LEU B 25 -7.270 -5.232 4.055 1.00 0.00 C ATOM 607 CD1 LEU B 25 -7.008 -6.545 4.777 1.00 0.00 C ATOM 608 CD2 LEU B 25 -6.182 -4.218 4.375 1.00 0.00 C ATOM 0 H LEU B 25 -7.583 -6.208 0.224 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.593 -7.227 2.599 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -6.452 -5.955 2.211 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.390 -4.484 2.050 1.00 0.00 H new ATOM 0 HG LEU B 25 -8.224 -4.837 4.404 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -6.946 -6.364 5.850 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -7.821 -7.241 4.573 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -6.068 -6.972 4.426 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -6.129 -4.069 5.454 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.223 -4.587 4.012 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -6.414 -3.270 3.889 1.00 0.00 H new ATOM 620 N ILE B 26 -10.232 -4.636 1.458 1.00 0.00 N ATOM 621 CA ILE B 26 -11.422 -3.828 1.641 1.00 0.00 C ATOM 622 C ILE B 26 -12.685 -4.674 1.513 1.00 0.00 C ATOM 623 O ILE B 26 -13.482 -4.751 2.448 1.00 0.00 O ATOM 624 CB ILE B 26 -11.486 -2.663 0.630 1.00 0.00 C ATOM 625 CG1 ILE B 26 -10.198 -1.834 0.674 1.00 0.00 C ATOM 626 CG2 ILE B 26 -12.695 -1.783 0.913 1.00 0.00 C ATOM 627 CD1 ILE B 26 -9.869 -1.268 2.039 1.00 0.00 C ATOM 0 H ILE B 26 -9.735 -4.468 0.583 1.00 0.00 H new ATOM 0 HA ILE B 26 -11.365 -3.413 2.647 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.587 -3.083 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -9.367 -2.457 0.342 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -10.284 -1.012 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.727 -0.966 0.192 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.605 -2.377 0.829 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.620 -1.375 1.921 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -8.943 -0.695 1.982 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -10.679 -0.617 2.368 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -9.748 -2.084 2.752 1.00 0.00 H new ATOM 639 N CYS B 27 -12.851 -5.331 0.365 1.00 0.00 N ATOM 640 CA CYS B 27 -14.061 -6.107 0.103 1.00 0.00 C ATOM 641 C CYS B 27 -14.218 -7.221 1.128 1.00 0.00 C ATOM 642 O CYS B 27 -15.316 -7.460 1.628 1.00 0.00 O ATOM 643 CB CYS B 27 -14.049 -6.708 -1.307 1.00 0.00 C ATOM 644 SG CYS B 27 -15.644 -7.434 -1.815 1.00 0.00 S ATOM 0 H CYS B 27 -12.168 -5.341 -0.393 1.00 0.00 H new ATOM 0 HA CYS B 27 -14.906 -5.423 0.180 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -13.771 -5.932 -2.020 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -13.278 -7.477 -1.357 1.00 0.00 H new ATOM 0 HG CYS B 27 -16.501 -6.483 -2.041 1.00 0.00 H new ATOM 649 N LYS B 28 -13.111 -7.882 1.460 1.00 0.00 N ATOM 650 CA LYS B 28 -13.137 -8.978 2.421 1.00 0.00 C ATOM 651 C LYS B 28 -13.676 -8.509 3.767 1.00 0.00 C ATOM 652 O LYS B 28 -14.367 -9.252 4.457 1.00 0.00 O ATOM 653 CB LYS B 28 -11.743 -9.581 2.602 1.00 0.00 C ATOM 654 CG LYS B 28 -11.231 -10.326 1.383 1.00 0.00 C ATOM 655 CD LYS B 28 -12.038 -11.583 1.119 1.00 0.00 C ATOM 656 CE LYS B 28 -11.543 -12.303 -0.118 1.00 0.00 C ATOM 657 NZ LYS B 28 -10.104 -12.665 -0.020 1.00 0.00 N1+ ATOM 0 H LYS B 28 -12.188 -7.677 1.078 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.802 -9.746 2.026 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.042 -8.783 2.849 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.761 -10.264 3.452 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.277 -9.674 0.511 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.183 -10.589 1.530 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.972 -12.248 1.980 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.090 -11.324 0.996 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.133 -13.206 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.698 -11.669 -0.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.909 -13.481 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.522 -11.858 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.874 -12.910 0.964 1.00 0.00 H new ATOM 671 N GLY B 29 -13.371 -7.264 4.123 1.00 0.00 N ATOM 672 CA GLY B 29 -13.838 -6.714 5.381 1.00 0.00 C ATOM 673 C GLY B 29 -15.351 -6.633 5.441 1.00 0.00 C ATOM 674 O GLY B 29 -15.954 -6.880 6.486 1.00 0.00 O ATOM 0 H GLY B 29 -12.808 -6.626 3.561 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -13.475 -7.331 6.203 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -13.416 -5.719 5.520 1.00 0.00 H new ATOM 678 N PHE B 30 -15.965 -6.303 4.312 1.00 0.00 N ATOM 679 CA PHE B 30 -17.416 -6.194 4.234 1.00 0.00 C ATOM 680 C PHE B 30 -18.058 -7.571 4.108 1.00 0.00 C ATOM 681 O PHE B 30 -19.250 -7.736 4.353 1.00 0.00 O ATOM 682 CB PHE B 30 -17.826 -5.312 3.051 1.00 0.00 C ATOM 683 CG PHE B 30 -17.377 -3.883 3.187 1.00 0.00 C ATOM 684 CD1 PHE B 30 -18.012 -3.025 4.070 1.00 0.00 C ATOM 685 CD2 PHE B 30 -16.322 -3.397 2.432 1.00 0.00 C ATOM 686 CE1 PHE B 30 -17.603 -1.712 4.201 1.00 0.00 C ATOM 687 CE2 PHE B 30 -15.909 -2.083 2.559 1.00 0.00 C ATOM 688 CZ PHE B 30 -16.551 -1.241 3.444 1.00 0.00 C ATOM 0 H PHE B 30 -15.480 -6.106 3.437 1.00 0.00 H new ATOM 0 HA PHE B 30 -17.769 -5.732 5.156 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -17.410 -5.730 2.134 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -18.911 -5.336 2.948 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -18.838 -3.387 4.664 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -15.817 -4.051 1.737 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -18.106 -1.055 4.895 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -15.084 -1.716 1.966 1.00 0.00 H new ATOM 0 HZ PHE B 30 -16.230 -0.215 3.544 1.00 0.00 H new ATOM 698 N ILE B 31 -17.261 -8.556 3.720 1.00 0.00 N ATOM 699 CA ILE B 31 -17.747 -9.923 3.591 1.00 0.00 C ATOM 700 C ILE B 31 -17.662 -10.654 4.930 1.00 0.00 C ATOM 701 O ILE B 31 -18.582 -11.379 5.314 1.00 0.00 O ATOM 702 CB ILE B 31 -16.944 -10.706 2.529 1.00 0.00 C ATOM 703 CG1 ILE B 31 -17.040 -10.009 1.172 1.00 0.00 C ATOM 704 CG2 ILE B 31 -17.447 -12.140 2.425 1.00 0.00 C ATOM 705 CD1 ILE B 31 -16.188 -10.650 0.098 1.00 0.00 C ATOM 0 H ILE B 31 -16.275 -8.435 3.489 1.00 0.00 H new ATOM 0 HA ILE B 31 -18.788 -9.869 3.273 1.00 0.00 H new ATOM 0 HB ILE B 31 -15.899 -10.731 2.836 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -18.080 -10.009 0.846 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -16.742 -8.967 1.287 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -16.869 -12.675 1.672 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -17.334 -12.636 3.389 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -18.499 -12.137 2.140 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -16.307 -10.102 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.141 -10.626 0.402 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -16.501 -11.684 -0.046 1.00 0.00 H new ATOM 717 N GLN B 32 -16.551 -10.455 5.631 1.00 0.00 N ATOM 718 CA GLN B 32 -16.308 -11.121 6.904 1.00 0.00 C ATOM 719 C GLN B 32 -17.259 -10.632 7.990 1.00 0.00 C ATOM 720 O GLN B 32 -17.745 -11.423 8.799 1.00 0.00 O ATOM 721 CB GLN B 32 -14.863 -10.906 7.344 1.00 0.00 C ATOM 722 CG GLN B 32 -13.850 -11.575 6.432 1.00 0.00 C ATOM 723 CD GLN B 32 -12.429 -11.429 6.931 1.00 0.00 C ATOM 724 OE1 GLN B 32 -12.184 -11.337 8.134 1.00 0.00 O ATOM 725 NE2 GLN B 32 -11.479 -11.424 6.012 1.00 0.00 N ATOM 0 H GLN B 32 -15.799 -9.832 5.335 1.00 0.00 H new ATOM 0 HA GLN B 32 -16.489 -12.186 6.757 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -14.657 -9.836 7.381 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -14.738 -11.289 8.357 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -14.092 -12.634 6.342 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -13.926 -11.144 5.434 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -11.724 -11.502 5.025 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.501 -11.342 6.290 1.00 0.00 H new ATOM 734 N ASP B 33 -17.522 -9.332 8.009 1.00 0.00 N ATOM 735 CA ASP B 33 -18.441 -8.763 8.987 1.00 0.00 C ATOM 736 C ASP B 33 -19.874 -9.101 8.598 1.00 0.00 C ATOM 737 O ASP B 33 -20.348 -8.699 7.537 1.00 0.00 O ATOM 738 CB ASP B 33 -18.272 -7.246 9.076 1.00 0.00 C ATOM 739 CG ASP B 33 -19.094 -6.635 10.197 1.00 0.00 C ATOM 740 OD1 ASP B 33 -20.300 -6.375 9.994 1.00 0.00 O ATOM 741 OD2 ASP B 33 -18.529 -6.405 11.292 1.00 0.00 O1- ATOM 0 H ASP B 33 -17.115 -8.655 7.363 1.00 0.00 H new ATOM 0 HA ASP B 33 -18.216 -9.191 9.964 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -17.219 -7.009 9.231 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -18.564 -6.795 8.128 1.00 0.00 H new ATOM 746 N PRO B 34 -20.578 -9.853 9.464 1.00 0.00 N ATOM 747 CA PRO B 34 -21.929 -10.345 9.181 1.00 0.00 C ATOM 748 C PRO B 34 -22.914 -9.225 8.888 1.00 0.00 C ATOM 749 O PRO B 34 -23.782 -9.365 8.028 1.00 0.00 O ATOM 750 CB PRO B 34 -22.336 -11.069 10.466 1.00 0.00 C ATOM 751 CG PRO B 34 -21.063 -11.362 11.178 1.00 0.00 C ATOM 752 CD PRO B 34 -20.105 -10.276 10.793 1.00 0.00 C ATOM 0 HA PRO B 34 -21.937 -10.978 8.294 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -22.992 -10.448 11.075 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -22.881 -11.986 10.244 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -21.217 -11.380 12.257 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -20.675 -12.341 10.895 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -20.125 -9.452 11.507 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -19.079 -10.641 10.756 1.00 0.00 H new ATOM 760 N ASP B 35 -22.773 -8.115 9.596 1.00 0.00 N ATOM 761 CA ASP B 35 -23.683 -6.990 9.434 1.00 0.00 C ATOM 762 C ASP B 35 -23.387 -6.232 8.152 1.00 0.00 C ATOM 763 O ASP B 35 -24.296 -5.729 7.494 1.00 0.00 O ATOM 764 CB ASP B 35 -23.610 -6.046 10.630 1.00 0.00 C ATOM 765 CG ASP B 35 -24.400 -6.558 11.816 1.00 0.00 C ATOM 766 OD1 ASP B 35 -23.783 -7.070 12.772 1.00 0.00 O ATOM 767 OD2 ASP B 35 -25.647 -6.450 11.794 1.00 0.00 O1- ATOM 0 H ASP B 35 -22.038 -7.968 10.288 1.00 0.00 H new ATOM 0 HA ASP B 35 -24.694 -7.392 9.375 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -22.568 -5.912 10.921 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -23.989 -5.066 10.340 1.00 0.00 H new ATOM 772 N LEU B 36 -22.115 -6.153 7.797 1.00 0.00 N ATOM 773 CA LEU B 36 -21.724 -5.515 6.550 1.00 0.00 C ATOM 774 C LEU B 36 -22.079 -6.402 5.367 1.00 0.00 C ATOM 775 O LEU B 36 -22.444 -5.910 4.298 1.00 0.00 O ATOM 776 CB LEU B 36 -20.225 -5.207 6.539 1.00 0.00 C ATOM 777 CG LEU B 36 -19.751 -4.192 7.583 1.00 0.00 C ATOM 778 CD1 LEU B 36 -18.251 -3.972 7.476 1.00 0.00 C ATOM 779 CD2 LEU B 36 -20.495 -2.875 7.430 1.00 0.00 C ATOM 0 H LEU B 36 -21.340 -6.520 8.350 1.00 0.00 H new ATOM 0 HA LEU B 36 -22.270 -4.575 6.467 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -19.680 -6.139 6.690 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -19.955 -4.837 5.550 1.00 0.00 H new ATOM 0 HG LEU B 36 -19.969 -4.596 8.572 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -17.935 -3.247 8.227 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -17.732 -4.916 7.642 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -18.009 -3.594 6.483 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -20.143 -2.169 8.182 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -20.313 -2.468 6.436 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -21.564 -3.043 7.563 1.00 0.00 H new ATOM 791 N LYS B 37 -21.992 -7.710 5.577 1.00 0.00 N ATOM 792 CA LYS B 37 -22.325 -8.679 4.541 1.00 0.00 C ATOM 793 C LYS B 37 -23.791 -8.548 4.149 1.00 0.00 C ATOM 794 O LYS B 37 -24.179 -8.887 3.030 1.00 0.00 O ATOM 795 CB LYS B 37 -22.022 -10.102 5.029 1.00 0.00 C ATOM 796 CG LYS B 37 -22.307 -11.190 4.002 1.00 0.00 C ATOM 797 CD LYS B 37 -21.431 -11.043 2.766 1.00 0.00 C ATOM 798 CE LYS B 37 -21.695 -12.152 1.759 1.00 0.00 C ATOM 799 NZ LYS B 37 -23.112 -12.173 1.306 1.00 0.00 N1+ ATOM 0 H LYS B 37 -21.692 -8.125 6.459 1.00 0.00 H new ATOM 0 HA LYS B 37 -21.713 -8.478 3.661 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -20.973 -10.158 5.319 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -22.612 -10.300 5.924 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -22.139 -12.168 4.452 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -23.357 -11.149 3.711 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -21.617 -10.075 2.300 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -20.381 -11.059 3.059 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -21.041 -12.021 0.897 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -21.444 -13.114 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -23.204 -12.800 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -23.717 -12.523 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -23.407 -11.211 1.044 1.00 0.00 H new ATOM 813 N LYS B 38 -24.592 -8.042 5.076 1.00 0.00 N ATOM 814 CA LYS B 38 -25.995 -7.775 4.816 1.00 0.00 C ATOM 815 C LYS B 38 -26.125 -6.730 3.721 1.00 0.00 C ATOM 816 O LYS B 38 -26.814 -6.940 2.729 1.00 0.00 O ATOM 817 CB LYS B 38 -26.685 -7.277 6.081 1.00 0.00 C ATOM 818 CG LYS B 38 -26.460 -8.176 7.277 1.00 0.00 C ATOM 819 CD LYS B 38 -27.208 -7.677 8.498 1.00 0.00 C ATOM 820 CE LYS B 38 -27.093 -8.658 9.651 1.00 0.00 C ATOM 821 NZ LYS B 38 -27.682 -8.118 10.902 1.00 0.00 N1+ ATOM 0 H LYS B 38 -24.289 -7.807 6.021 1.00 0.00 H new ATOM 0 HA LYS B 38 -26.472 -8.701 4.495 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -26.323 -6.276 6.314 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -27.756 -7.193 5.894 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -26.786 -9.188 7.038 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -25.394 -8.228 7.499 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -26.811 -6.708 8.800 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -28.258 -7.527 8.248 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -27.595 -9.589 9.386 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -26.043 -8.898 9.819 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -27.987 -8.905 11.510 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -26.970 -7.549 11.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -28.502 -7.522 10.670 1.00 0.00 H new ATOM 835 N ARG B 39 -25.406 -5.626 3.888 1.00 0.00 N ATOM 836 CA ARG B 39 -25.490 -4.508 2.959 1.00 0.00 C ATOM 837 C ARG B 39 -24.820 -4.891 1.651 1.00 0.00 C ATOM 838 O ARG B 39 -25.243 -4.483 0.570 1.00 0.00 O ATOM 839 CB ARG B 39 -24.823 -3.270 3.563 1.00 0.00 C ATOM 840 CG ARG B 39 -25.048 -1.993 2.769 1.00 0.00 C ATOM 841 CD ARG B 39 -26.527 -1.645 2.674 1.00 0.00 C ATOM 842 NE ARG B 39 -27.141 -1.523 3.995 1.00 0.00 N ATOM 843 CZ ARG B 39 -28.449 -1.632 4.226 1.00 0.00 C ATOM 844 NH1 ARG B 39 -29.296 -1.795 3.215 1.00 0.00 N1+ ATOM 845 NH2 ARG B 39 -28.910 -1.559 5.468 1.00 0.00 N ATOM 0 H ARG B 39 -24.757 -5.482 4.661 1.00 0.00 H new ATOM 0 HA ARG B 39 -26.537 -4.272 2.767 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -25.199 -3.126 4.576 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -23.751 -3.451 3.643 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -24.510 -1.171 3.241 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -24.636 -2.110 1.767 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -26.646 -0.708 2.130 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -27.046 -2.414 2.102 1.00 0.00 H new ATOM 0 HE ARG B 39 -26.529 -1.343 4.791 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -28.946 -1.837 2.258 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -30.296 -1.878 3.396 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -28.264 -1.420 6.245 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -29.911 -1.642 5.646 1.00 0.00 H new ATOM 859 N PHE B 40 -23.778 -5.694 1.777 1.00 0.00 N ATOM 860 CA PHE B 40 -23.071 -6.258 0.641 1.00 0.00 C ATOM 861 C PHE B 40 -24.038 -7.042 -0.244 1.00 0.00 C ATOM 862 O PHE B 40 -23.971 -6.979 -1.475 1.00 0.00 O ATOM 863 CB PHE B 40 -21.964 -7.170 1.175 1.00 0.00 C ATOM 864 CG PHE B 40 -20.998 -7.666 0.143 1.00 0.00 C ATOM 865 CD1 PHE B 40 -20.079 -6.806 -0.429 1.00 0.00 C ATOM 866 CD2 PHE B 40 -20.994 -8.997 -0.237 1.00 0.00 C ATOM 867 CE1 PHE B 40 -19.175 -7.263 -1.363 1.00 0.00 C ATOM 868 CE2 PHE B 40 -20.094 -9.459 -1.174 1.00 0.00 C ATOM 869 CZ PHE B 40 -19.183 -8.592 -1.738 1.00 0.00 C ATOM 0 H PHE B 40 -23.395 -5.975 2.680 1.00 0.00 H new ATOM 0 HA PHE B 40 -22.635 -5.465 0.034 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -21.408 -6.630 1.942 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -22.425 -8.029 1.662 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -20.070 -5.765 -0.141 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -21.703 -9.681 0.205 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -18.461 -6.582 -1.802 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -20.103 -10.499 -1.466 1.00 0.00 H new ATOM 0 HZ PHE B 40 -18.477 -8.951 -2.472 1.00 0.00 H new ATOM 879 N ASP B 41 -24.955 -7.756 0.398 1.00 0.00 N ATOM 880 CA ASP B 41 -25.946 -8.555 -0.310 1.00 0.00 C ATOM 881 C ASP B 41 -27.088 -7.683 -0.824 1.00 0.00 C ATOM 882 O ASP B 41 -27.610 -7.912 -1.913 1.00 0.00 O ATOM 883 CB ASP B 41 -26.496 -9.649 0.605 1.00 0.00 C ATOM 884 CG ASP B 41 -27.453 -10.575 -0.115 1.00 0.00 C ATOM 885 OD1 ASP B 41 -28.682 -10.364 -0.020 1.00 0.00 O ATOM 886 OD2 ASP B 41 -26.978 -11.521 -0.784 1.00 0.00 O1- ATOM 0 H ASP B 41 -25.032 -7.797 1.414 1.00 0.00 H new ATOM 0 HA ASP B 41 -25.456 -9.018 -1.167 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -25.668 -10.230 1.011 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -27.007 -9.189 1.451 1.00 0.00 H new ATOM 891 N GLU B 42 -27.464 -6.674 -0.040 1.00 0.00 N ATOM 892 CA GLU B 42 -28.549 -5.766 -0.411 1.00 0.00 C ATOM 893 C GLU B 42 -28.243 -5.045 -1.722 1.00 0.00 C ATOM 894 O GLU B 42 -29.139 -4.806 -2.535 1.00 0.00 O ATOM 895 CB GLU B 42 -28.794 -4.735 0.696 1.00 0.00 C ATOM 896 CG GLU B 42 -29.178 -5.342 2.038 1.00 0.00 C ATOM 897 CD GLU B 42 -30.524 -6.041 2.022 1.00 0.00 C ATOM 898 OE1 GLU B 42 -30.713 -6.974 1.213 1.00 0.00 O ATOM 899 OE2 GLU B 42 -31.395 -5.674 2.836 1.00 0.00 O1- ATOM 0 H GLU B 42 -27.032 -6.464 0.860 1.00 0.00 H new ATOM 0 HA GLU B 42 -29.448 -6.368 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -27.893 -4.136 0.825 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -29.585 -4.056 0.377 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -28.410 -6.055 2.338 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -29.195 -4.555 2.792 1.00 0.00 H new ATOM 906 N ILE B 43 -26.976 -4.711 -1.933 1.00 0.00 N ATOM 907 CA ILE B 43 -26.566 -4.009 -3.141 1.00 0.00 C ATOM 908 C ILE B 43 -26.330 -5.007 -4.276 1.00 0.00 C ATOM 909 O ILE B 43 -26.095 -4.631 -5.425 1.00 0.00 O ATOM 910 CB ILE B 43 -25.281 -3.179 -2.896 1.00 0.00 C ATOM 911 CG1 ILE B 43 -25.417 -2.337 -1.625 1.00 0.00 C ATOM 912 CG2 ILE B 43 -24.974 -2.275 -4.083 1.00 0.00 C ATOM 913 CD1 ILE B 43 -26.568 -1.351 -1.654 1.00 0.00 C ATOM 0 H ILE B 43 -26.216 -4.915 -1.284 1.00 0.00 H new ATOM 0 HA ILE B 43 -27.367 -3.326 -3.422 1.00 0.00 H new ATOM 0 HB ILE B 43 -24.455 -3.879 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -25.546 -3.004 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -24.488 -1.790 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -24.067 -1.705 -3.881 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -24.830 -2.883 -4.976 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -25.806 -1.589 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -26.594 -0.795 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -26.432 -0.658 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -27.506 -1.891 -1.782 1.00 0.00 H new ATOM 925 N LYS B 44 -26.425 -6.292 -3.929 1.00 0.00 N ATOM 926 CA LYS B 44 -26.186 -7.385 -4.865 1.00 0.00 C ATOM 927 C LYS B 44 -24.789 -7.276 -5.452 1.00 0.00 C ATOM 928 O LYS B 44 -24.579 -7.468 -6.649 1.00 0.00 O ATOM 929 CB LYS B 44 -27.239 -7.395 -5.975 1.00 0.00 C ATOM 930 CG LYS B 44 -28.661 -7.559 -5.463 1.00 0.00 C ATOM 931 CD LYS B 44 -28.839 -8.868 -4.713 1.00 0.00 C ATOM 932 CE LYS B 44 -30.234 -8.989 -4.129 1.00 0.00 C ATOM 933 NZ LYS B 44 -31.284 -8.969 -5.180 1.00 0.00 N1+ ATOM 0 H LYS B 44 -26.670 -6.601 -2.989 1.00 0.00 H new ATOM 0 HA LYS B 44 -26.264 -8.327 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -27.170 -6.465 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -27.016 -8.205 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -28.910 -6.726 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -29.357 -7.522 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -28.652 -9.703 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -28.102 -8.933 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -30.309 -9.916 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -30.406 -8.171 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -32.201 -9.222 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -31.344 -8.016 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -31.043 -9.654 -5.924 1.00 0.00 H new ATOM 947 N MET B 45 -23.837 -6.967 -4.590 1.00 0.00 N ATOM 948 CA MET B 45 -22.466 -6.759 -5.007 1.00 0.00 C ATOM 949 C MET B 45 -21.610 -7.954 -4.617 1.00 0.00 C ATOM 950 O MET B 45 -21.849 -8.579 -3.585 1.00 0.00 O ATOM 951 CB MET B 45 -21.932 -5.479 -4.370 1.00 0.00 C ATOM 952 CG MET B 45 -20.501 -5.150 -4.756 1.00 0.00 C ATOM 953 SD MET B 45 -20.044 -3.461 -4.330 1.00 0.00 S ATOM 954 CE MET B 45 -20.577 -3.385 -2.623 1.00 0.00 C ATOM 0 H MET B 45 -23.993 -6.854 -3.588 1.00 0.00 H new ATOM 0 HA MET B 45 -22.428 -6.657 -6.092 1.00 0.00 H new ATOM 0 HB2 MET B 45 -22.575 -4.647 -4.656 1.00 0.00 H new ATOM 0 HB3 MET B 45 -21.993 -5.572 -3.286 1.00 0.00 H new ATOM 0 HG2 MET B 45 -19.825 -5.843 -4.256 1.00 0.00 H new ATOM 0 HG3 MET B 45 -20.374 -5.298 -5.828 1.00 0.00 H new ATOM 0 HE1 MET B 45 -20.250 -2.444 -2.181 1.00 0.00 H new ATOM 0 HE2 MET B 45 -21.664 -3.449 -2.578 1.00 0.00 H new ATOM 0 HE3 MET B 45 -20.142 -4.216 -2.069 1.00 0.00 H new ATOM 964 N THR B 46 -20.638 -8.282 -5.453 1.00 0.00 N ATOM 965 CA THR B 46 -19.736 -9.387 -5.181 1.00 0.00 C ATOM 966 C THR B 46 -18.290 -8.907 -5.104 1.00 0.00 C ATOM 967 O THR B 46 -17.997 -7.768 -5.478 1.00 0.00 O ATOM 968 CB THR B 46 -19.854 -10.476 -6.261 1.00 0.00 C ATOM 969 OG1 THR B 46 -19.754 -9.882 -7.562 1.00 0.00 O ATOM 970 CG2 THR B 46 -21.169 -11.224 -6.139 1.00 0.00 C ATOM 0 H THR B 46 -20.454 -7.795 -6.330 1.00 0.00 H new ATOM 0 HA THR B 46 -20.023 -9.809 -4.218 1.00 0.00 H new ATOM 0 HB THR B 46 -19.040 -11.187 -6.120 1.00 0.00 H new ATOM 0 HG1 THR B 46 -19.828 -10.579 -8.247 1.00 0.00 H new ATOM 0 HG21 THR B 46 -21.226 -11.988 -6.914 1.00 0.00 H new ATOM 0 HG22 THR B 46 -21.229 -11.697 -5.159 1.00 0.00 H new ATOM 0 HG23 THR B 46 -21.997 -10.525 -6.256 1.00 0.00 H new ATOM 978 N TYR B 47 -17.400 -9.769 -4.627 1.00 0.00 N ATOM 979 CA TYR B 47 -15.980 -9.440 -4.496 1.00 0.00 C ATOM 980 C TYR B 47 -15.411 -8.899 -5.811 1.00 0.00 C ATOM 981 O TYR B 47 -14.727 -7.869 -5.827 1.00 0.00 O ATOM 982 CB TYR B 47 -15.205 -10.687 -4.053 1.00 0.00 C ATOM 983 CG TYR B 47 -13.709 -10.495 -3.970 1.00 0.00 C ATOM 984 CD1 TYR B 47 -13.110 -10.012 -2.812 1.00 0.00 C ATOM 985 CD2 TYR B 47 -12.895 -10.800 -5.054 1.00 0.00 C ATOM 986 CE1 TYR B 47 -11.742 -9.840 -2.741 1.00 0.00 C ATOM 987 CE2 TYR B 47 -11.529 -10.632 -4.989 1.00 0.00 C ATOM 988 CZ TYR B 47 -10.957 -10.152 -3.833 1.00 0.00 C ATOM 989 OH TYR B 47 -9.596 -9.979 -3.769 1.00 0.00 O ATOM 0 H TYR B 47 -17.638 -10.712 -4.321 1.00 0.00 H new ATOM 0 HA TYR B 47 -15.873 -8.659 -3.744 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -15.574 -11.001 -3.076 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -15.417 -11.498 -4.750 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -13.723 -9.768 -1.957 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -13.341 -11.175 -5.963 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -11.288 -9.463 -1.836 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -10.911 -10.876 -5.840 1.00 0.00 H new ATOM 0 HH TYR B 47 -9.237 -10.488 -3.012 1.00 0.00 H new ATOM 999 N GLU B 48 -15.717 -9.586 -6.912 1.00 0.00 N ATOM 1000 CA GLU B 48 -15.228 -9.187 -8.230 1.00 0.00 C ATOM 1001 C GLU B 48 -15.729 -7.799 -8.618 1.00 0.00 C ATOM 1002 O GLU B 48 -15.095 -7.095 -9.405 1.00 0.00 O ATOM 1003 CB GLU B 48 -15.658 -10.190 -9.299 1.00 0.00 C ATOM 1004 CG GLU B 48 -15.033 -11.563 -9.148 1.00 0.00 C ATOM 1005 CD GLU B 48 -15.402 -12.486 -10.290 1.00 0.00 C ATOM 1006 OE1 GLU B 48 -14.670 -12.510 -11.301 1.00 0.00 O ATOM 1007 OE2 GLU B 48 -16.431 -13.188 -10.186 1.00 0.00 O1- ATOM 0 H GLU B 48 -16.302 -10.422 -6.916 1.00 0.00 H new ATOM 0 HA GLU B 48 -14.140 -9.164 -8.170 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -16.743 -10.292 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -15.400 -9.791 -10.280 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -13.949 -11.464 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -15.356 -12.006 -8.206 1.00 0.00 H new ATOM 1014 N GLN B 49 -16.870 -7.407 -8.077 1.00 0.00 N ATOM 1015 CA GLN B 49 -17.427 -6.100 -8.366 1.00 0.00 C ATOM 1016 C GLN B 49 -16.768 -5.042 -7.489 1.00 0.00 C ATOM 1017 O GLN B 49 -16.551 -3.918 -7.923 1.00 0.00 O ATOM 1018 CB GLN B 49 -18.944 -6.101 -8.170 1.00 0.00 C ATOM 1019 CG GLN B 49 -19.614 -4.799 -8.587 1.00 0.00 C ATOM 1020 CD GLN B 49 -19.308 -4.419 -10.026 1.00 0.00 C ATOM 1021 OE1 GLN B 49 -19.069 -5.279 -10.876 1.00 0.00 O ATOM 1022 NE2 GLN B 49 -19.315 -3.126 -10.307 1.00 0.00 N ATOM 0 H GLN B 49 -17.426 -7.974 -7.437 1.00 0.00 H new ATOM 0 HA GLN B 49 -17.225 -5.860 -9.410 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -19.375 -6.922 -8.743 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -19.166 -6.294 -7.120 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -20.693 -4.893 -8.462 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -19.285 -3.997 -7.926 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -19.518 -2.446 -9.574 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -19.118 -2.809 -11.256 1.00 0.00 H new ATOM 1031 N CYS B 50 -16.436 -5.413 -6.262 1.00 0.00 N ATOM 1032 CA CYS B 50 -15.760 -4.503 -5.346 1.00 0.00 C ATOM 1033 C CYS B 50 -14.443 -4.021 -5.935 1.00 0.00 C ATOM 1034 O CYS B 50 -14.175 -2.823 -5.984 1.00 0.00 O ATOM 1035 CB CYS B 50 -15.453 -5.185 -4.016 1.00 0.00 C ATOM 1036 SG CYS B 50 -16.872 -5.987 -3.209 1.00 0.00 S ATOM 0 H CYS B 50 -16.623 -6.338 -5.876 1.00 0.00 H new ATOM 0 HA CYS B 50 -16.433 -3.661 -5.185 1.00 0.00 H new ATOM 0 HB2 CYS B 50 -14.678 -5.934 -4.181 1.00 0.00 H new ATOM 0 HB3 CYS B 50 -15.039 -4.443 -3.333 1.00 0.00 H new ATOM 0 HG CYS B 50 -16.452 -6.969 -2.468 1.00 0.00 H new ATOM 1041 N VAL B 51 -13.637 -4.965 -6.405 1.00 0.00 N ATOM 1042 CA VAL B 51 -12.260 -4.678 -6.785 1.00 0.00 C ATOM 1043 C VAL B 51 -12.148 -3.747 -7.989 1.00 0.00 C ATOM 1044 O VAL B 51 -11.081 -3.192 -8.237 1.00 0.00 O ATOM 1045 CB VAL B 51 -11.457 -5.968 -7.056 1.00 0.00 C ATOM 1046 CG1 VAL B 51 -11.302 -6.778 -5.777 1.00 0.00 C ATOM 1047 CG2 VAL B 51 -12.112 -6.803 -8.146 1.00 0.00 C ATOM 0 H VAL B 51 -13.914 -5.938 -6.532 1.00 0.00 H new ATOM 0 HA VAL B 51 -11.831 -4.162 -5.926 1.00 0.00 H new ATOM 0 HB VAL B 51 -10.465 -5.681 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -10.733 -7.684 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -10.775 -6.183 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -12.287 -7.048 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -11.525 -7.705 -8.316 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -13.120 -7.079 -7.837 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -12.161 -6.224 -9.068 1.00 0.00 H new ATOM 1057 N THR B 52 -13.226 -3.571 -8.738 1.00 0.00 N ATOM 1058 CA THR B 52 -13.209 -2.629 -9.845 1.00 0.00 C ATOM 1059 C THR B 52 -13.681 -1.248 -9.382 1.00 0.00 C ATOM 1060 O THR B 52 -13.508 -0.251 -10.081 1.00 0.00 O ATOM 1061 CB THR B 52 -14.055 -3.124 -11.045 1.00 0.00 C ATOM 1062 OG1 THR B 52 -13.894 -2.246 -12.168 1.00 0.00 O ATOM 1063 CG2 THR B 52 -15.529 -3.227 -10.690 1.00 0.00 C ATOM 0 H THR B 52 -14.111 -4.060 -8.602 1.00 0.00 H new ATOM 0 HA THR B 52 -12.178 -2.551 -10.190 1.00 0.00 H new ATOM 0 HB THR B 52 -13.696 -4.120 -11.305 1.00 0.00 H new ATOM 0 HG1 THR B 52 -13.706 -1.338 -11.849 1.00 0.00 H new ATOM 0 HG21 THR B 52 -16.089 -3.577 -11.557 1.00 0.00 H new ATOM 0 HG22 THR B 52 -15.657 -3.931 -9.867 1.00 0.00 H new ATOM 0 HG23 THR B 52 -15.900 -2.247 -10.390 1.00 0.00 H new ATOM 1071 N LEU B 53 -14.257 -1.193 -8.186 1.00 0.00 N ATOM 1072 CA LEU B 53 -14.778 0.059 -7.646 1.00 0.00 C ATOM 1073 C LEU B 53 -13.794 0.666 -6.648 1.00 0.00 C ATOM 1074 O LEU B 53 -13.684 1.886 -6.524 1.00 0.00 O ATOM 1075 CB LEU B 53 -16.117 -0.173 -6.957 1.00 0.00 C ATOM 1076 CG LEU B 53 -17.105 -1.040 -7.734 1.00 0.00 C ATOM 1077 CD1 LEU B 53 -18.413 -1.177 -6.973 1.00 0.00 C ATOM 1078 CD2 LEU B 53 -17.349 -0.483 -9.126 1.00 0.00 C ATOM 0 H LEU B 53 -14.375 -1.999 -7.572 1.00 0.00 H new ATOM 0 HA LEU B 53 -14.916 0.751 -8.477 1.00 0.00 H new ATOM 0 HB2 LEU B 53 -15.934 -0.638 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU B 53 -16.581 0.794 -6.764 1.00 0.00 H new ATOM 0 HG LEU B 53 -16.665 -2.031 -7.844 1.00 0.00 H new ATOM 0 HD11 LEU B 53 -19.103 -1.798 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU B 53 -18.224 -1.640 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU B 53 -18.852 -0.191 -6.824 1.00 0.00 H new ATOM 0 HD21 LEU B 53 -18.057 -1.122 -9.655 1.00 0.00 H new ATOM 0 HD22 LEU B 53 -17.758 0.525 -9.048 1.00 0.00 H new ATOM 0 HD23 LEU B 53 -16.408 -0.451 -9.675 1.00 0.00 H new ATOM 1090 N ILE B 54 -13.084 -0.211 -5.941 1.00 0.00 N ATOM 1091 CA ILE B 54 -12.109 0.196 -4.927 1.00 0.00 C ATOM 1092 C ILE B 54 -11.026 1.148 -5.474 1.00 0.00 C ATOM 1093 O ILE B 54 -10.671 2.107 -4.794 1.00 0.00 O ATOM 1094 CB ILE B 54 -11.427 -1.028 -4.265 1.00 0.00 C ATOM 1095 CG1 ILE B 54 -12.473 -1.983 -3.688 1.00 0.00 C ATOM 1096 CG2 ILE B 54 -10.477 -0.570 -3.166 1.00 0.00 C ATOM 1097 CD1 ILE B 54 -13.307 -1.375 -2.587 1.00 0.00 C ATOM 0 H ILE B 54 -13.167 -1.221 -6.053 1.00 0.00 H new ATOM 0 HA ILE B 54 -12.685 0.740 -4.178 1.00 0.00 H new ATOM 0 HB ILE B 54 -10.858 -1.558 -5.029 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -13.132 -2.314 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -11.970 -2.870 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -10.004 -1.439 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -9.711 0.077 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -11.035 -0.020 -2.408 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -14.026 -2.111 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -12.659 -1.070 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -13.839 -0.505 -2.972 1.00 0.00 H new ATOM 1109 N PRO B 55 -10.472 0.900 -6.694 1.00 0.00 N ATOM 1110 CA PRO B 55 -9.446 1.772 -7.305 1.00 0.00 C ATOM 1111 C PRO B 55 -9.795 3.265 -7.290 1.00 0.00 C ATOM 1112 O PRO B 55 -8.914 4.116 -7.403 1.00 0.00 O ATOM 1113 CB PRO B 55 -9.364 1.262 -8.743 1.00 0.00 C ATOM 1114 CG PRO B 55 -9.721 -0.175 -8.641 1.00 0.00 C ATOM 1115 CD PRO B 55 -10.755 -0.265 -7.556 1.00 0.00 C ATOM 0 HA PRO B 55 -8.511 1.718 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -10.053 1.798 -9.396 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -8.364 1.396 -9.156 1.00 0.00 H new ATOM 0 HG2 PRO B 55 -10.114 -0.548 -9.587 1.00 0.00 H new ATOM 0 HG3 PRO B 55 -8.846 -0.779 -8.398 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -11.765 -0.224 -7.963 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -10.672 -1.200 -7.003 1.00 0.00 H new ATOM 1123 N GLU B 56 -11.075 3.579 -7.147 1.00 0.00 N ATOM 1124 CA GLU B 56 -11.507 4.965 -7.047 1.00 0.00 C ATOM 1125 C GLU B 56 -11.035 5.559 -5.720 1.00 0.00 C ATOM 1126 O GLU B 56 -10.542 6.686 -5.669 1.00 0.00 O ATOM 1127 CB GLU B 56 -13.032 5.061 -7.160 1.00 0.00 C ATOM 1128 CG GLU B 56 -13.569 6.486 -7.131 1.00 0.00 C ATOM 1129 CD GLU B 56 -13.137 7.305 -8.327 1.00 0.00 C ATOM 1130 OE1 GLU B 56 -13.846 7.282 -9.357 1.00 0.00 O ATOM 1131 OE2 GLU B 56 -12.090 7.980 -8.245 1.00 0.00 O1- ATOM 0 H GLU B 56 -11.830 2.895 -7.098 1.00 0.00 H new ATOM 0 HA GLU B 56 -11.066 5.532 -7.867 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -13.348 4.584 -8.088 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -13.482 4.498 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -14.658 6.457 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -13.230 6.978 -6.219 1.00 0.00 H new ATOM 1138 N SER B 57 -11.159 4.778 -4.653 1.00 0.00 N ATOM 1139 CA SER B 57 -10.751 5.231 -3.336 1.00 0.00 C ATOM 1140 C SER B 57 -9.252 5.019 -3.144 1.00 0.00 C ATOM 1141 O SER B 57 -8.606 5.779 -2.426 1.00 0.00 O ATOM 1142 CB SER B 57 -11.527 4.500 -2.237 1.00 0.00 C ATOM 1143 OG SER B 57 -11.338 5.120 -0.979 1.00 0.00 O ATOM 0 H SER B 57 -11.538 3.831 -4.678 1.00 0.00 H new ATOM 0 HA SER B 57 -10.974 6.295 -3.263 1.00 0.00 H new ATOM 0 HB2 SER B 57 -12.589 4.488 -2.484 1.00 0.00 H new ATOM 0 HB3 SER B 57 -11.200 3.461 -2.186 1.00 0.00 H new ATOM 0 HG SER B 57 -10.488 5.609 -0.979 1.00 0.00 H new ATOM 1149 N THR B 58 -8.691 3.997 -3.793 1.00 0.00 N ATOM 1150 CA THR B 58 -7.259 3.738 -3.680 1.00 0.00 C ATOM 1151 C THR B 58 -6.474 4.935 -4.196 1.00 0.00 C ATOM 1152 O THR B 58 -5.502 5.363 -3.583 1.00 0.00 O ATOM 1153 CB THR B 58 -6.815 2.474 -4.454 1.00 0.00 C ATOM 1154 OG1 THR B 58 -7.038 2.642 -5.855 1.00 0.00 O ATOM 1155 CG2 THR B 58 -7.563 1.244 -3.979 1.00 0.00 C ATOM 0 H THR B 58 -9.198 3.346 -4.392 1.00 0.00 H new ATOM 0 HA THR B 58 -7.054 3.568 -2.623 1.00 0.00 H new ATOM 0 HB THR B 58 -5.751 2.334 -4.264 1.00 0.00 H new ATOM 0 HG1 THR B 58 -6.518 1.976 -6.351 1.00 0.00 H new ATOM 0 HG21 THR B 58 -7.227 0.374 -4.543 1.00 0.00 H new ATOM 0 HG22 THR B 58 -7.368 1.086 -2.918 1.00 0.00 H new ATOM 0 HG23 THR B 58 -8.633 1.386 -4.134 1.00 0.00 H new ATOM 1163 N LYS B 59 -6.926 5.476 -5.323 1.00 0.00 N ATOM 1164 CA LYS B 59 -6.308 6.649 -5.917 1.00 0.00 C ATOM 1165 C LYS B 59 -6.536 7.865 -5.026 1.00 0.00 C ATOM 1166 O LYS B 59 -5.618 8.645 -4.767 1.00 0.00 O ATOM 1167 CB LYS B 59 -6.905 6.895 -7.305 1.00 0.00 C ATOM 1168 CG LYS B 59 -6.097 7.851 -8.165 1.00 0.00 C ATOM 1169 CD LYS B 59 -4.732 7.271 -8.491 1.00 0.00 C ATOM 1170 CE LYS B 59 -3.984 8.129 -9.495 1.00 0.00 C ATOM 1171 NZ LYS B 59 -2.625 7.597 -9.772 1.00 0.00 N1+ ATOM 0 H LYS B 59 -7.725 5.115 -5.844 1.00 0.00 H new ATOM 0 HA LYS B 59 -5.235 6.481 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -6.994 5.941 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -7.914 7.290 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -6.637 8.060 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -5.977 8.801 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -4.145 7.185 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -4.850 6.263 -8.890 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -4.551 8.179 -10.424 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -3.905 9.148 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -2.146 8.210 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -2.075 7.573 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -2.701 6.634 -10.158 1.00 0.00 H new ATOM 1185 N LYS B 60 -7.769 7.990 -4.550 1.00 0.00 N ATOM 1186 CA LYS B 60 -8.176 9.086 -3.682 1.00 0.00 C ATOM 1187 C LYS B 60 -7.355 9.106 -2.394 1.00 0.00 C ATOM 1188 O LYS B 60 -6.632 10.063 -2.121 1.00 0.00 O ATOM 1189 CB LYS B 60 -9.665 8.938 -3.352 1.00 0.00 C ATOM 1190 CG LYS B 60 -10.208 9.994 -2.405 1.00 0.00 C ATOM 1191 CD LYS B 60 -11.663 9.724 -2.056 1.00 0.00 C ATOM 1192 CE LYS B 60 -12.546 9.770 -3.291 1.00 0.00 C ATOM 1193 NZ LYS B 60 -13.975 9.523 -2.968 1.00 0.00 N1+ ATOM 0 H LYS B 60 -8.518 7.330 -4.757 1.00 0.00 H new ATOM 0 HA LYS B 60 -8.002 10.028 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -10.235 8.973 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -9.831 7.954 -2.913 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -9.610 10.011 -1.494 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -10.118 10.979 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -11.750 8.747 -1.581 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -12.008 10.462 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -12.447 10.744 -3.771 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -12.203 9.025 -4.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -14.574 10.147 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -14.211 8.531 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -14.142 9.718 -1.960 1.00 0.00 H new ATOM 1207 N CYS B 61 -7.454 8.032 -1.622 1.00 0.00 N ATOM 1208 CA CYS B 61 -6.808 7.954 -0.318 1.00 0.00 C ATOM 1209 C CYS B 61 -5.289 7.930 -0.449 1.00 0.00 C ATOM 1210 O CYS B 61 -4.574 8.270 0.494 1.00 0.00 O ATOM 1211 CB CYS B 61 -7.311 6.730 0.442 1.00 0.00 C ATOM 1212 SG CYS B 61 -9.107 6.763 0.753 1.00 0.00 S ATOM 0 H CYS B 61 -7.980 7.197 -1.879 1.00 0.00 H new ATOM 0 HA CYS B 61 -7.069 8.849 0.247 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -7.064 5.832 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -6.785 6.661 1.394 1.00 0.00 H new ATOM 1217 N GLN B 62 -4.802 7.533 -1.620 1.00 0.00 N ATOM 1218 CA GLN B 62 -3.381 7.621 -1.918 1.00 0.00 C ATOM 1219 C GLN B 62 -2.934 9.070 -1.823 1.00 0.00 C ATOM 1220 O GLN B 62 -1.999 9.392 -1.099 1.00 0.00 O ATOM 1221 CB GLN B 62 -3.092 7.049 -3.313 1.00 0.00 C ATOM 1222 CG GLN B 62 -1.658 7.240 -3.793 1.00 0.00 C ATOM 1223 CD GLN B 62 -1.440 8.538 -4.558 1.00 0.00 C ATOM 1224 OE1 GLN B 62 -0.352 9.112 -4.532 1.00 0.00 O ATOM 1225 NE2 GLN B 62 -2.468 9.006 -5.253 1.00 0.00 N ATOM 0 H GLN B 62 -5.370 7.149 -2.375 1.00 0.00 H new ATOM 0 HA GLN B 62 -2.821 7.032 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -3.321 5.983 -3.309 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -3.767 7.517 -4.030 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -0.990 7.218 -2.932 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -1.382 6.401 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -3.356 8.504 -5.252 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -2.371 9.868 -5.789 1.00 0.00 H new ATOM 1234 N ASP B 63 -3.648 9.942 -2.528 1.00 0.00 N ATOM 1235 CA ASP B 63 -3.320 11.364 -2.567 1.00 0.00 C ATOM 1236 C ASP B 63 -3.496 12.000 -1.194 1.00 0.00 C ATOM 1237 O ASP B 63 -2.783 12.941 -0.835 1.00 0.00 O ATOM 1238 CB ASP B 63 -4.199 12.081 -3.593 1.00 0.00 C ATOM 1239 CG ASP B 63 -3.915 13.566 -3.666 1.00 0.00 C ATOM 1240 OD1 ASP B 63 -4.666 14.353 -3.058 1.00 0.00 O ATOM 1241 OD2 ASP B 63 -2.934 13.958 -4.337 1.00 0.00 O1- ATOM 0 H ASP B 63 -4.464 9.686 -3.084 1.00 0.00 H new ATOM 0 HA ASP B 63 -2.275 11.464 -2.861 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -4.041 11.636 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.248 11.927 -3.338 1.00 0.00 H new ATOM 1246 N GLU B 64 -4.440 11.466 -0.432 1.00 0.00 N ATOM 1247 CA GLU B 64 -4.718 11.945 0.915 1.00 0.00 C ATOM 1248 C GLU B 64 -3.482 11.847 1.790 1.00 0.00 C ATOM 1249 O GLU B 64 -2.980 12.838 2.321 1.00 0.00 O ATOM 1250 CB GLU B 64 -5.829 11.101 1.544 1.00 0.00 C ATOM 1251 CG GLU B 64 -7.158 11.196 0.814 1.00 0.00 C ATOM 1252 CD GLU B 64 -7.738 12.592 0.836 1.00 0.00 C ATOM 1253 OE1 GLU B 64 -8.520 12.896 1.762 1.00 0.00 O ATOM 1254 OE2 GLU B 64 -7.421 13.386 -0.076 1.00 0.00 O1- ATOM 0 H GLU B 64 -5.033 10.691 -0.729 1.00 0.00 H new ATOM 0 HA GLU B 64 -5.026 12.988 0.846 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.512 10.059 1.568 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.970 11.415 2.578 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -7.023 10.879 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -7.868 10.505 1.269 1.00 0.00 H new ATOM 1261 N LEU B 65 -2.996 10.631 1.915 1.00 0.00 N ATOM 1262 CA LEU B 65 -1.920 10.315 2.831 1.00 0.00 C ATOM 1263 C LEU B 65 -0.550 10.609 2.223 1.00 0.00 C ATOM 1264 O LEU B 65 0.400 10.882 2.951 1.00 0.00 O ATOM 1265 CB LEU B 65 -2.047 8.854 3.241 1.00 0.00 C ATOM 1266 CG LEU B 65 -3.420 8.491 3.814 1.00 0.00 C ATOM 1267 CD1 LEU B 65 -3.645 6.996 3.766 1.00 0.00 C ATOM 1268 CD2 LEU B 65 -3.563 9.007 5.239 1.00 0.00 C ATOM 0 H LEU B 65 -3.337 9.830 1.383 1.00 0.00 H new ATOM 0 HA LEU B 65 -2.002 10.951 3.713 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.847 8.224 2.374 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.282 8.627 3.983 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.180 8.970 3.197 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -4.627 6.762 4.178 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.595 6.653 2.732 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -2.876 6.493 4.353 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.546 8.738 5.626 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.791 8.561 5.866 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.455 10.092 5.246 1.00 0.00 H new ATOM 1280 N TYR B 66 -0.457 10.546 0.894 1.00 0.00 N ATOM 1281 CA TYR B 66 0.793 10.826 0.167 1.00 0.00 C ATOM 1282 C TYR B 66 1.475 12.098 0.667 1.00 0.00 C ATOM 1283 O TYR B 66 2.700 12.146 0.796 1.00 0.00 O ATOM 1284 CB TYR B 66 0.507 10.946 -1.338 1.00 0.00 C ATOM 1285 CG TYR B 66 1.658 11.492 -2.161 1.00 0.00 C ATOM 1286 CD1 TYR B 66 2.740 10.691 -2.501 1.00 0.00 C ATOM 1287 CD2 TYR B 66 1.654 12.809 -2.607 1.00 0.00 C ATOM 1288 CE1 TYR B 66 3.785 11.184 -3.256 1.00 0.00 C ATOM 1289 CE2 TYR B 66 2.696 13.309 -3.364 1.00 0.00 C ATOM 1290 CZ TYR B 66 3.759 12.492 -3.685 1.00 0.00 C ATOM 1291 OH TYR B 66 4.799 12.988 -4.438 1.00 0.00 O ATOM 0 H TYR B 66 -1.240 10.301 0.288 1.00 0.00 H new ATOM 0 HA TYR B 66 1.472 9.994 0.350 1.00 0.00 H new ATOM 0 HB2 TYR B 66 0.238 9.962 -1.722 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -0.360 11.591 -1.479 1.00 0.00 H new ATOM 0 HD1 TYR B 66 2.764 9.664 -2.169 1.00 0.00 H new ATOM 0 HD2 TYR B 66 0.823 13.452 -2.358 1.00 0.00 H new ATOM 0 HE1 TYR B 66 4.619 10.547 -3.509 1.00 0.00 H new ATOM 0 HE2 TYR B 66 2.678 14.334 -3.702 1.00 0.00 H new ATOM 0 HH TYR B 66 4.624 13.927 -4.659 1.00 0.00 H new ATOM 1301 N ALA B 67 0.676 13.111 0.972 1.00 0.00 N ATOM 1302 CA ALA B 67 1.197 14.406 1.393 1.00 0.00 C ATOM 1303 C ALA B 67 1.812 14.352 2.794 1.00 0.00 C ATOM 1304 O ALA B 67 2.547 15.257 3.193 1.00 0.00 O ATOM 1305 CB ALA B 67 0.090 15.447 1.338 1.00 0.00 C ATOM 0 H ALA B 67 -0.342 13.061 0.936 1.00 0.00 H new ATOM 0 HA ALA B 67 1.995 14.685 0.704 1.00 0.00 H new ATOM 0 HB1 ALA B 67 0.483 16.413 1.653 1.00 0.00 H new ATOM 0 HB2 ALA B 67 -0.287 15.524 0.318 1.00 0.00 H new ATOM 0 HB3 ALA B 67 -0.721 15.151 2.003 1.00 0.00 H new ATOM 1311 N SER B 68 1.509 13.298 3.537 1.00 0.00 N ATOM 1312 CA SER B 68 2.025 13.142 4.890 1.00 0.00 C ATOM 1313 C SER B 68 3.053 12.009 4.958 1.00 0.00 C ATOM 1314 O SER B 68 3.839 11.922 5.900 1.00 0.00 O ATOM 1315 CB SER B 68 0.870 12.860 5.851 1.00 0.00 C ATOM 1316 OG SER B 68 -0.133 13.861 5.752 1.00 0.00 O ATOM 0 H SER B 68 0.907 12.536 3.225 1.00 0.00 H new ATOM 0 HA SER B 68 2.522 14.068 5.180 1.00 0.00 H new ATOM 0 HB2 SER B 68 0.438 11.884 5.629 1.00 0.00 H new ATOM 0 HB3 SER B 68 1.246 12.817 6.873 1.00 0.00 H new ATOM 0 HG SER B 68 -0.861 13.657 6.375 1.00 0.00 H new ATOM 1322 N MET B 69 3.033 11.148 3.949 1.00 0.00 N ATOM 1323 CA MET B 69 3.926 9.996 3.887 1.00 0.00 C ATOM 1324 C MET B 69 5.382 10.426 3.752 1.00 0.00 C ATOM 1325 O MET B 69 5.685 11.408 3.076 1.00 0.00 O ATOM 1326 CB MET B 69 3.548 9.113 2.699 1.00 0.00 C ATOM 1327 CG MET B 69 2.209 8.417 2.853 1.00 0.00 C ATOM 1328 SD MET B 69 1.731 7.511 1.373 1.00 0.00 S ATOM 1329 CE MET B 69 3.084 6.346 1.237 1.00 0.00 C ATOM 0 H MET B 69 2.400 11.227 3.153 1.00 0.00 H new ATOM 0 HA MET B 69 3.818 9.438 4.817 1.00 0.00 H new ATOM 0 HB2 MET B 69 3.527 9.724 1.797 1.00 0.00 H new ATOM 0 HB3 MET B 69 4.324 8.360 2.557 1.00 0.00 H new ATOM 0 HG2 MET B 69 2.255 7.729 3.697 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.443 9.157 3.086 1.00 0.00 H new ATOM 0 HE1 MET B 69 2.941 5.723 0.354 1.00 0.00 H new ATOM 0 HE2 MET B 69 4.025 6.890 1.149 1.00 0.00 H new ATOM 0 HE3 MET B 69 3.111 5.715 2.125 1.00 0.00 H new ATOM 1339 N PRO B 70 6.299 9.689 4.399 1.00 0.00 N ATOM 1340 CA PRO B 70 7.737 9.947 4.301 1.00 0.00 C ATOM 1341 C PRO B 70 8.295 9.558 2.934 1.00 0.00 C ATOM 1342 O PRO B 70 7.577 8.977 2.120 1.00 0.00 O ATOM 1343 CB PRO B 70 8.333 9.060 5.396 1.00 0.00 C ATOM 1344 CG PRO B 70 7.356 7.946 5.547 1.00 0.00 C ATOM 1345 CD PRO B 70 6.003 8.547 5.284 1.00 0.00 C ATOM 0 HA PRO B 70 7.975 11.004 4.419 1.00 0.00 H new ATOM 0 HB2 PRO B 70 9.318 8.688 5.113 1.00 0.00 H new ATOM 0 HB3 PRO B 70 8.455 9.610 6.329 1.00 0.00 H new ATOM 0 HG2 PRO B 70 7.569 7.141 4.844 1.00 0.00 H new ATOM 0 HG3 PRO B 70 7.405 7.516 6.548 1.00 0.00 H new ATOM 0 HD2 PRO B 70 5.333 7.833 4.806 1.00 0.00 H new ATOM 0 HD3 PRO B 70 5.521 8.869 6.207 1.00 0.00 H new ATOM 1353 N ASP B 71 9.562 9.870 2.685 1.00 0.00 N ATOM 1354 CA ASP B 71 10.179 9.586 1.388 1.00 0.00 C ATOM 1355 C ASP B 71 10.114 8.101 1.069 1.00 0.00 C ATOM 1356 O ASP B 71 9.658 7.698 -0.005 1.00 0.00 O ATOM 1357 CB ASP B 71 11.635 10.046 1.369 1.00 0.00 C ATOM 1358 CG ASP B 71 12.282 9.862 0.011 1.00 0.00 C ATOM 1359 OD1 ASP B 71 11.898 10.575 -0.938 1.00 0.00 O ATOM 1360 OD2 ASP B 71 13.185 9.010 -0.112 1.00 0.00 O1- ATOM 0 H ASP B 71 10.183 10.318 3.359 1.00 0.00 H new ATOM 0 HA ASP B 71 9.620 10.136 0.630 1.00 0.00 H new ATOM 0 HB2 ASP B 71 11.685 11.097 1.652 1.00 0.00 H new ATOM 0 HB3 ASP B 71 12.199 9.488 2.116 1.00 0.00 H new ATOM 1365 N LYS B 72 10.559 7.289 2.014 1.00 0.00 N ATOM 1366 CA LYS B 72 10.566 5.854 1.827 1.00 0.00 C ATOM 1367 C LYS B 72 9.695 5.170 2.869 1.00 0.00 C ATOM 1368 O LYS B 72 9.404 5.733 3.925 1.00 0.00 O ATOM 1369 CB LYS B 72 11.994 5.314 1.871 1.00 0.00 C ATOM 1370 CG LYS B 72 12.896 5.902 0.799 1.00 0.00 C ATOM 1371 CD LYS B 72 14.199 5.130 0.672 1.00 0.00 C ATOM 1372 CE LYS B 72 15.057 5.665 -0.463 1.00 0.00 C ATOM 1373 NZ LYS B 72 16.385 4.998 -0.520 1.00 0.00 N1+ ATOM 0 H LYS B 72 10.919 7.602 2.916 1.00 0.00 H new ATOM 0 HA LYS B 72 10.149 5.635 0.844 1.00 0.00 H new ATOM 0 HB2 LYS B 72 12.423 5.523 2.851 1.00 0.00 H new ATOM 0 HB3 LYS B 72 11.968 4.230 1.759 1.00 0.00 H new ATOM 0 HG2 LYS B 72 12.375 5.895 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS B 72 13.112 6.943 1.037 1.00 0.00 H new ATOM 0 HD2 LYS B 72 14.753 5.193 1.609 1.00 0.00 H new ATOM 0 HD3 LYS B 72 13.983 4.076 0.500 1.00 0.00 H new ATOM 0 HE2 LYS B 72 14.537 5.519 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS B 72 15.196 6.739 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 16.938 5.392 -1.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 16.893 5.158 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 16.254 3.977 -0.666 1.00 0.00 H new ATOM 1387 N ILE B 73 9.291 3.952 2.562 1.00 0.00 N ATOM 1388 CA ILE B 73 8.321 3.229 3.359 1.00 0.00 C ATOM 1389 C ILE B 73 8.880 1.882 3.821 1.00 0.00 C ATOM 1390 O ILE B 73 9.179 1.009 3.004 1.00 0.00 O ATOM 1391 CB ILE B 73 7.031 2.998 2.539 1.00 0.00 C ATOM 1392 CG1 ILE B 73 6.400 4.336 2.136 1.00 0.00 C ATOM 1393 CG2 ILE B 73 6.033 2.154 3.316 1.00 0.00 C ATOM 1394 CD1 ILE B 73 5.930 5.175 3.306 1.00 0.00 C ATOM 0 H ILE B 73 9.628 3.435 1.750 1.00 0.00 H new ATOM 0 HA ILE B 73 8.094 3.830 4.240 1.00 0.00 H new ATOM 0 HB ILE B 73 7.302 2.455 1.634 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.127 4.909 1.560 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.553 4.142 1.478 1.00 0.00 H new ATOM 0 HG21 ILE B 73 5.135 2.007 2.716 1.00 0.00 H new ATOM 0 HG22 ILE B 73 6.477 1.186 3.547 1.00 0.00 H new ATOM 0 HG23 ILE B 73 5.770 2.663 4.243 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.496 6.104 2.936 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.178 4.623 3.871 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.776 5.402 3.954 1.00 0.00 H new ATOM 1406 N ASN B 74 9.037 1.731 5.131 1.00 0.00 N ATOM 1407 CA ASN B 74 9.454 0.463 5.723 1.00 0.00 C ATOM 1408 C ASN B 74 8.244 -0.464 5.837 1.00 0.00 C ATOM 1409 O ASN B 74 7.116 0.001 5.710 1.00 0.00 O ATOM 1410 CB ASN B 74 10.079 0.713 7.108 1.00 0.00 C ATOM 1411 CG ASN B 74 10.529 -0.557 7.809 1.00 0.00 C ATOM 1412 OD1 ASN B 74 9.755 -1.194 8.527 1.00 0.00 O ATOM 1413 ND2 ASN B 74 11.783 -0.927 7.618 1.00 0.00 N ATOM 0 H ASN B 74 8.881 2.477 5.809 1.00 0.00 H new ATOM 0 HA ASN B 74 10.203 -0.010 5.088 1.00 0.00 H new ATOM 0 HB2 ASN B 74 10.934 1.379 6.997 1.00 0.00 H new ATOM 0 HB3 ASN B 74 9.353 1.228 7.737 1.00 0.00 H new ATOM 0 HD21 ASN B 74 12.142 -1.767 8.072 1.00 0.00 H new ATOM 0 HD22 ASN B 74 12.392 -0.373 7.016 1.00 0.00 H new ATOM 1420 N SER B 75 8.458 -1.756 6.062 1.00 0.00 N ATOM 1421 CA SER B 75 7.348 -2.698 6.196 1.00 0.00 C ATOM 1422 C SER B 75 6.370 -2.248 7.288 1.00 0.00 C ATOM 1423 O SER B 75 5.152 -2.324 7.116 1.00 0.00 O ATOM 1424 CB SER B 75 7.883 -4.096 6.499 1.00 0.00 C ATOM 1425 OG SER B 75 8.727 -4.549 5.450 1.00 0.00 O ATOM 0 H SER B 75 9.383 -2.175 6.155 1.00 0.00 H new ATOM 0 HA SER B 75 6.804 -2.724 5.252 1.00 0.00 H new ATOM 0 HB2 SER B 75 8.436 -4.083 7.438 1.00 0.00 H new ATOM 0 HB3 SER B 75 7.052 -4.789 6.628 1.00 0.00 H new ATOM 0 HG SER B 75 9.061 -5.445 5.663 1.00 0.00 H new ATOM 1431 N GLU B 76 6.911 -1.754 8.393 1.00 0.00 N ATOM 1432 CA GLU B 76 6.094 -1.234 9.481 1.00 0.00 C ATOM 1433 C GLU B 76 5.317 -0.005 9.017 1.00 0.00 C ATOM 1434 O GLU B 76 4.118 0.128 9.273 1.00 0.00 O ATOM 1435 CB GLU B 76 6.983 -0.877 10.667 1.00 0.00 C ATOM 1436 CG GLU B 76 6.237 -0.264 11.836 1.00 0.00 C ATOM 1437 CD GLU B 76 7.168 0.141 12.954 1.00 0.00 C ATOM 1438 OE1 GLU B 76 7.167 -0.525 14.010 1.00 0.00 O ATOM 1439 OE2 GLU B 76 7.921 1.121 12.778 1.00 0.00 O1- ATOM 0 H GLU B 76 7.916 -1.702 8.560 1.00 0.00 H new ATOM 0 HA GLU B 76 5.381 -2.000 9.787 1.00 0.00 H new ATOM 0 HB2 GLU B 76 7.495 -1.777 11.008 1.00 0.00 H new ATOM 0 HB3 GLU B 76 7.752 -0.180 10.334 1.00 0.00 H new ATOM 0 HG2 GLU B 76 5.681 0.609 11.493 1.00 0.00 H new ATOM 0 HG3 GLU B 76 5.506 -0.979 12.214 1.00 0.00 H new ATOM 1446 N THR B 77 6.010 0.869 8.303 1.00 0.00 N ATOM 1447 CA THR B 77 5.421 2.088 7.780 1.00 0.00 C ATOM 1448 C THR B 77 4.321 1.744 6.780 1.00 0.00 C ATOM 1449 O THR B 77 3.290 2.414 6.698 1.00 0.00 O ATOM 1450 CB THR B 77 6.503 2.934 7.090 1.00 0.00 C ATOM 1451 OG1 THR B 77 7.733 2.810 7.814 1.00 0.00 O ATOM 1452 CG2 THR B 77 6.107 4.399 7.026 1.00 0.00 C ATOM 0 H THR B 77 6.996 0.751 8.071 1.00 0.00 H new ATOM 0 HA THR B 77 4.991 2.658 8.603 1.00 0.00 H new ATOM 0 HB THR B 77 6.622 2.568 6.070 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.379 3.464 7.476 1.00 0.00 H new ATOM 0 HG21 THR B 77 6.895 4.968 6.532 1.00 0.00 H new ATOM 0 HG22 THR B 77 5.179 4.501 6.464 1.00 0.00 H new ATOM 0 HG23 THR B 77 5.963 4.781 8.036 1.00 0.00 H new ATOM 1460 N ALA B 78 4.559 0.672 6.035 1.00 0.00 N ATOM 1461 CA ALA B 78 3.602 0.150 5.077 1.00 0.00 C ATOM 1462 C ALA B 78 2.312 -0.261 5.772 1.00 0.00 C ATOM 1463 O ALA B 78 1.223 -0.105 5.224 1.00 0.00 O ATOM 1464 CB ALA B 78 4.208 -1.033 4.343 1.00 0.00 C ATOM 0 H ALA B 78 5.428 0.139 6.081 1.00 0.00 H new ATOM 0 HA ALA B 78 3.362 0.933 4.358 1.00 0.00 H new ATOM 0 HB1 ALA B 78 3.487 -1.423 3.624 1.00 0.00 H new ATOM 0 HB2 ALA B 78 5.108 -0.713 3.818 1.00 0.00 H new ATOM 0 HB3 ALA B 78 4.464 -1.813 5.060 1.00 0.00 H new ATOM 1470 N GLY B 79 2.444 -0.786 6.981 1.00 0.00 N ATOM 1471 CA GLY B 79 1.279 -1.127 7.766 1.00 0.00 C ATOM 1472 C GLY B 79 0.569 0.112 8.263 1.00 0.00 C ATOM 1473 O GLY B 79 -0.658 0.195 8.216 1.00 0.00 O ATOM 0 H GLY B 79 3.338 -0.982 7.431 1.00 0.00 H new ATOM 0 HA2 GLY B 79 0.594 -1.724 7.164 1.00 0.00 H new ATOM 0 HA3 GLY B 79 1.577 -1.743 8.615 1.00 0.00 H new ATOM 1477 N THR B 80 1.353 1.086 8.712 1.00 0.00 N ATOM 1478 CA THR B 80 0.823 2.344 9.222 1.00 0.00 C ATOM 1479 C THR B 80 -0.088 3.024 8.196 1.00 0.00 C ATOM 1480 O THR B 80 -1.238 3.362 8.489 1.00 0.00 O ATOM 1481 CB THR B 80 1.969 3.307 9.588 1.00 0.00 C ATOM 1482 OG1 THR B 80 2.890 2.661 10.479 1.00 0.00 O ATOM 1483 CG2 THR B 80 1.435 4.574 10.236 1.00 0.00 C ATOM 0 H THR B 80 2.371 1.026 8.732 1.00 0.00 H new ATOM 0 HA THR B 80 0.240 2.110 10.113 1.00 0.00 H new ATOM 0 HB THR B 80 2.484 3.582 8.668 1.00 0.00 H new ATOM 0 HG1 THR B 80 3.370 1.955 9.998 1.00 0.00 H new ATOM 0 HG21 THR B 80 2.266 5.234 10.483 1.00 0.00 H new ATOM 0 HG22 THR B 80 0.762 5.081 9.544 1.00 0.00 H new ATOM 0 HG23 THR B 80 0.893 4.317 11.146 1.00 0.00 H new ATOM 1491 N TRP B 81 0.423 3.210 6.988 1.00 0.00 N ATOM 1492 CA TRP B 81 -0.329 3.897 5.949 1.00 0.00 C ATOM 1493 C TRP B 81 -1.307 2.954 5.265 1.00 0.00 C ATOM 1494 O TRP B 81 -2.366 3.378 4.804 1.00 0.00 O ATOM 1495 CB TRP B 81 0.624 4.526 4.932 1.00 0.00 C ATOM 1496 CG TRP B 81 1.526 5.548 5.556 1.00 0.00 C ATOM 1497 CD1 TRP B 81 2.839 5.390 5.885 1.00 0.00 C ATOM 1498 CD2 TRP B 81 1.172 6.878 5.947 1.00 0.00 C ATOM 1499 NE1 TRP B 81 3.323 6.541 6.458 1.00 0.00 N ATOM 1500 CE2 TRP B 81 2.320 7.471 6.504 1.00 0.00 C ATOM 1501 CE3 TRP B 81 -0.005 7.625 5.877 1.00 0.00 C ATOM 1502 CZ2 TRP B 81 2.325 8.774 6.990 1.00 0.00 C ATOM 1503 CZ3 TRP B 81 -0.001 8.920 6.357 1.00 0.00 C ATOM 1504 CH2 TRP B 81 1.157 9.484 6.907 1.00 0.00 C ATOM 0 H TRP B 81 1.351 2.896 6.704 1.00 0.00 H new ATOM 0 HA TRP B 81 -0.910 4.692 6.417 1.00 0.00 H new ATOM 0 HB2 TRP B 81 1.228 3.744 4.471 1.00 0.00 H new ATOM 0 HB3 TRP B 81 0.045 4.993 4.135 1.00 0.00 H new ATOM 0 HD1 TRP B 81 3.415 4.491 5.719 1.00 0.00 H new ATOM 0 HE1 TRP B 81 4.276 6.680 6.795 1.00 0.00 H new ATOM 0 HE3 TRP B 81 -0.903 7.198 5.455 1.00 0.00 H new ATOM 0 HZ2 TRP B 81 3.216 9.209 7.417 1.00 0.00 H new ATOM 0 HZ3 TRP B 81 -0.906 9.508 6.307 1.00 0.00 H new ATOM 0 HH2 TRP B 81 1.128 10.500 7.273 1.00 0.00 H new ATOM 1515 N GLY B 82 -0.962 1.673 5.226 1.00 0.00 N ATOM 1516 CA GLY B 82 -1.837 0.683 4.627 1.00 0.00 C ATOM 1517 C GLY B 82 -3.191 0.631 5.308 1.00 0.00 C ATOM 1518 O GLY B 82 -4.231 0.659 4.646 1.00 0.00 O ATOM 0 H GLY B 82 -0.089 1.301 5.600 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -1.972 0.912 3.570 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -1.366 -0.298 4.683 1.00 0.00 H new ATOM 1522 N ARG B 83 -3.182 0.579 6.636 1.00 0.00 N ATOM 1523 CA ARG B 83 -4.422 0.550 7.402 1.00 0.00 C ATOM 1524 C ARG B 83 -5.151 1.887 7.302 1.00 0.00 C ATOM 1525 O ARG B 83 -6.379 1.936 7.334 1.00 0.00 O ATOM 1526 CB ARG B 83 -4.151 0.202 8.869 1.00 0.00 C ATOM 1527 CG ARG B 83 -3.276 1.210 9.596 1.00 0.00 C ATOM 1528 CD ARG B 83 -3.157 0.869 11.068 1.00 0.00 C ATOM 1529 NE ARG B 83 -4.461 0.871 11.724 1.00 0.00 N ATOM 1530 CZ ARG B 83 -4.921 -0.117 12.488 1.00 0.00 C ATOM 1531 NH1 ARG B 83 -4.180 -1.196 12.716 1.00 0.00 N1+ ATOM 1532 NH2 ARG B 83 -6.128 -0.021 13.023 1.00 0.00 N ATOM 0 H ARG B 83 -2.334 0.556 7.202 1.00 0.00 H new ATOM 0 HA ARG B 83 -5.059 -0.225 6.977 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -5.103 0.119 9.393 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -3.675 -0.777 8.917 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -2.285 1.229 9.143 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -3.697 2.209 9.484 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.694 -0.111 11.179 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -2.501 1.589 11.558 1.00 0.00 H new ATOM 0 HE ARG B 83 -5.060 1.685 11.588 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -3.250 -1.272 12.304 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -4.541 -1.948 13.303 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -6.699 0.806 12.849 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -6.487 -0.774 13.610 1.00 0.00 H new ATOM 1546 N SER B 84 -4.386 2.966 7.158 1.00 0.00 N ATOM 1547 CA SER B 84 -4.961 4.297 7.006 1.00 0.00 C ATOM 1548 C SER B 84 -5.733 4.388 5.691 1.00 0.00 C ATOM 1549 O SER B 84 -6.769 5.049 5.605 1.00 0.00 O ATOM 1550 CB SER B 84 -3.862 5.358 7.060 1.00 0.00 C ATOM 1551 OG SER B 84 -3.152 5.291 8.288 1.00 0.00 O ATOM 0 H SER B 84 -3.366 2.943 7.144 1.00 0.00 H new ATOM 0 HA SER B 84 -5.654 4.478 7.828 1.00 0.00 H new ATOM 0 HB2 SER B 84 -3.172 5.215 6.228 1.00 0.00 H new ATOM 0 HB3 SER B 84 -4.301 6.349 6.943 1.00 0.00 H new ATOM 0 HG SER B 84 -2.442 4.619 8.219 1.00 0.00 H new ATOM 1557 N LEU B 85 -5.222 3.712 4.670 1.00 0.00 N ATOM 1558 CA LEU B 85 -5.928 3.594 3.404 1.00 0.00 C ATOM 1559 C LEU B 85 -7.162 2.721 3.583 1.00 0.00 C ATOM 1560 O LEU B 85 -8.248 3.068 3.127 1.00 0.00 O ATOM 1561 CB LEU B 85 -5.013 2.984 2.342 1.00 0.00 C ATOM 1562 CG LEU B 85 -3.788 3.821 1.977 1.00 0.00 C ATOM 1563 CD1 LEU B 85 -2.696 2.928 1.426 1.00 0.00 C ATOM 1564 CD2 LEU B 85 -4.153 4.894 0.958 1.00 0.00 C ATOM 0 H LEU B 85 -4.320 3.237 4.696 1.00 0.00 H new ATOM 0 HA LEU B 85 -6.233 4.588 3.077 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -4.675 2.009 2.694 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -5.597 2.812 1.438 1.00 0.00 H new ATOM 0 HG LEU B 85 -3.424 4.314 2.879 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -1.827 3.533 1.168 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -2.415 2.191 2.178 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -3.059 2.417 0.534 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -3.267 5.479 0.712 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -4.539 4.422 0.054 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -4.915 5.550 1.378 1.00 0.00 H new ATOM 1576 N GLY B 86 -6.979 1.601 4.275 1.00 0.00 N ATOM 1577 CA GLY B 86 -8.062 0.660 4.499 1.00 0.00 C ATOM 1578 C GLY B 86 -9.268 1.286 5.168 1.00 0.00 C ATOM 1579 O GLY B 86 -10.401 1.086 4.724 1.00 0.00 O ATOM 0 H GLY B 86 -6.088 1.326 4.689 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -8.366 0.232 3.544 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -7.699 -0.162 5.116 1.00 0.00 H new ATOM 1583 N GLU B 87 -9.033 2.048 6.229 1.00 0.00 N ATOM 1584 CA GLU B 87 -10.118 2.707 6.945 1.00 0.00 C ATOM 1585 C GLU B 87 -10.766 3.786 6.076 1.00 0.00 C ATOM 1586 O GLU B 87 -11.984 3.929 6.060 1.00 0.00 O ATOM 1587 CB GLU B 87 -9.615 3.308 8.265 1.00 0.00 C ATOM 1588 CG GLU B 87 -8.497 4.324 8.099 1.00 0.00 C ATOM 1589 CD GLU B 87 -8.079 4.961 9.408 1.00 0.00 C ATOM 1590 OE1 GLU B 87 -8.644 6.012 9.769 1.00 0.00 O ATOM 1591 OE2 GLU B 87 -7.180 4.419 10.084 1.00 0.00 O1- ATOM 0 H GLU B 87 -8.104 2.225 6.612 1.00 0.00 H new ATOM 0 HA GLU B 87 -10.873 1.956 7.177 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -10.451 3.785 8.777 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -9.265 2.501 8.909 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -7.634 3.836 7.647 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -8.821 5.103 7.409 1.00 0.00 H new ATOM 1598 N CYS B 88 -9.944 4.519 5.337 1.00 0.00 N ATOM 1599 CA CYS B 88 -10.428 5.594 4.480 1.00 0.00 C ATOM 1600 C CYS B 88 -11.292 5.044 3.346 1.00 0.00 C ATOM 1601 O CYS B 88 -12.413 5.510 3.118 1.00 0.00 O ATOM 1602 CB CYS B 88 -9.243 6.375 3.910 1.00 0.00 C ATOM 1603 SG CYS B 88 -9.703 7.675 2.716 1.00 0.00 S ATOM 0 H CYS B 88 -8.933 4.388 5.314 1.00 0.00 H new ATOM 0 HA CYS B 88 -11.045 6.263 5.080 1.00 0.00 H new ATOM 0 HB2 CYS B 88 -8.695 6.832 4.734 1.00 0.00 H new ATOM 0 HB3 CYS B 88 -8.563 5.676 3.424 1.00 0.00 H new ATOM 1608 N ILE B 89 -10.768 4.043 2.652 1.00 0.00 N ATOM 1609 CA ILE B 89 -11.475 3.400 1.552 1.00 0.00 C ATOM 1610 C ILE B 89 -12.760 2.743 2.044 1.00 0.00 C ATOM 1611 O ILE B 89 -13.793 2.815 1.385 1.00 0.00 O ATOM 1612 CB ILE B 89 -10.585 2.340 0.876 1.00 0.00 C ATOM 1613 CG1 ILE B 89 -9.350 3.003 0.260 1.00 0.00 C ATOM 1614 CG2 ILE B 89 -11.377 1.583 -0.176 1.00 0.00 C ATOM 1615 CD1 ILE B 89 -8.336 2.019 -0.277 1.00 0.00 C ATOM 0 H ILE B 89 -9.843 3.654 2.835 1.00 0.00 H new ATOM 0 HA ILE B 89 -11.726 4.172 0.825 1.00 0.00 H new ATOM 0 HB ILE B 89 -10.250 1.626 1.628 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -9.667 3.662 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -8.872 3.630 1.013 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -10.737 0.837 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -12.226 1.088 0.295 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -11.737 2.281 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -7.489 2.562 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -7.989 1.376 0.532 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -8.797 1.408 -1.053 1.00 0.00 H new ATOM 1627 N GLY B 90 -12.693 2.116 3.215 1.00 0.00 N ATOM 1628 CA GLY B 90 -13.863 1.466 3.781 1.00 0.00 C ATOM 1629 C GLY B 90 -15.004 2.438 4.024 1.00 0.00 C ATOM 1630 O GLY B 90 -16.172 2.054 4.015 1.00 0.00 O ATOM 0 H GLY B 90 -11.849 2.046 3.783 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -14.198 0.677 3.108 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -13.590 0.988 4.722 1.00 0.00 H new ATOM 1634 N LYS B 91 -14.663 3.699 4.231 1.00 0.00 N ATOM 1635 CA LYS B 91 -15.662 4.739 4.430 1.00 0.00 C ATOM 1636 C LYS B 91 -16.173 5.234 3.088 1.00 0.00 C ATOM 1637 O LYS B 91 -17.369 5.462 2.898 1.00 0.00 O ATOM 1638 CB LYS B 91 -15.064 5.914 5.195 1.00 0.00 C ATOM 1639 CG LYS B 91 -14.495 5.545 6.548 1.00 0.00 C ATOM 1640 CD LYS B 91 -13.842 6.745 7.206 1.00 0.00 C ATOM 1641 CE LYS B 91 -13.035 6.338 8.421 1.00 0.00 C ATOM 1642 NZ LYS B 91 -12.391 7.506 9.077 1.00 0.00 N1+ ATOM 0 H LYS B 91 -13.699 4.029 4.266 1.00 0.00 H new ATOM 0 HA LYS B 91 -16.485 4.315 5.005 1.00 0.00 H new ATOM 0 HB2 LYS B 91 -14.275 6.363 4.591 1.00 0.00 H new ATOM 0 HB3 LYS B 91 -15.833 6.674 5.331 1.00 0.00 H new ATOM 0 HG2 LYS B 91 -15.289 5.161 7.189 1.00 0.00 H new ATOM 0 HG3 LYS B 91 -13.763 4.745 6.433 1.00 0.00 H new ATOM 0 HD2 LYS B 91 -13.193 7.247 6.488 1.00 0.00 H new ATOM 0 HD3 LYS B 91 -14.608 7.462 7.500 1.00 0.00 H new ATOM 0 HE2 LYS B 91 -13.685 5.833 9.136 1.00 0.00 H new ATOM 0 HE3 LYS B 91 -12.270 5.621 8.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 -11.848 7.184 9.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 -11.751 7.973 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 -13.122 8.179 9.383 1.00 0.00 H new ATOM 1656 N ASP B 92 -15.246 5.393 2.157 1.00 0.00 N ATOM 1657 CA ASP B 92 -15.553 5.949 0.849 1.00 0.00 C ATOM 1658 C ASP B 92 -16.360 4.961 0.020 1.00 0.00 C ATOM 1659 O ASP B 92 -17.356 5.324 -0.603 1.00 0.00 O ATOM 1660 CB ASP B 92 -14.257 6.318 0.128 1.00 0.00 C ATOM 1661 CG ASP B 92 -14.499 7.068 -1.162 1.00 0.00 C ATOM 1662 OD1 ASP B 92 -13.751 6.845 -2.132 1.00 0.00 O ATOM 1663 OD2 ASP B 92 -15.427 7.903 -1.212 1.00 0.00 O1- ATOM 0 H ASP B 92 -14.266 5.142 2.285 1.00 0.00 H new ATOM 0 HA ASP B 92 -16.155 6.848 0.982 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -13.640 6.928 0.788 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -13.694 5.410 -0.085 1.00 0.00 H new ATOM 1668 N PHE B 93 -15.939 3.707 0.046 1.00 0.00 N ATOM 1669 CA PHE B 93 -16.614 2.648 -0.689 1.00 0.00 C ATOM 1670 C PHE B 93 -18.008 2.397 -0.120 1.00 0.00 C ATOM 1671 O PHE B 93 -18.952 2.103 -0.860 1.00 0.00 O ATOM 1672 CB PHE B 93 -15.778 1.367 -0.631 1.00 0.00 C ATOM 1673 CG PHE B 93 -16.421 0.185 -1.296 1.00 0.00 C ATOM 1674 CD1 PHE B 93 -16.374 0.039 -2.673 1.00 0.00 C ATOM 1675 CD2 PHE B 93 -17.065 -0.784 -0.543 1.00 0.00 C ATOM 1676 CE1 PHE B 93 -16.957 -1.052 -3.285 1.00 0.00 C ATOM 1677 CE2 PHE B 93 -17.652 -1.875 -1.149 1.00 0.00 C ATOM 1678 CZ PHE B 93 -17.595 -2.008 -2.523 1.00 0.00 C ATOM 0 H PHE B 93 -15.124 3.395 0.574 1.00 0.00 H new ATOM 0 HA PHE B 93 -16.724 2.958 -1.728 1.00 0.00 H new ATOM 0 HB2 PHE B 93 -14.813 1.554 -1.101 1.00 0.00 H new ATOM 0 HB3 PHE B 93 -15.582 1.121 0.413 1.00 0.00 H new ATOM 0 HD1 PHE B 93 -15.876 0.786 -3.273 1.00 0.00 H new ATOM 0 HD2 PHE B 93 -17.108 -0.684 0.531 1.00 0.00 H new ATOM 0 HE1 PHE B 93 -16.914 -1.157 -4.359 1.00 0.00 H new ATOM 0 HE2 PHE B 93 -18.154 -2.622 -0.552 1.00 0.00 H new ATOM 0 HZ PHE B 93 -18.051 -2.862 -3.001 1.00 0.00 H new ATOM 1688 N ALA B 94 -18.134 2.525 1.194 1.00 0.00 N ATOM 1689 CA ALA B 94 -19.407 2.298 1.856 1.00 0.00 C ATOM 1690 C ALA B 94 -20.445 3.311 1.399 1.00 0.00 C ATOM 1691 O ALA B 94 -21.473 2.942 0.843 1.00 0.00 O ATOM 1692 CB ALA B 94 -19.249 2.355 3.365 1.00 0.00 C ATOM 0 H ALA B 94 -17.371 2.784 1.819 1.00 0.00 H new ATOM 0 HA ALA B 94 -19.752 1.301 1.581 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -20.215 2.182 3.839 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -18.545 1.588 3.686 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -18.873 3.336 3.655 1.00 0.00 H new ATOM 1698 N GLU B 95 -20.158 4.590 1.600 1.00 0.00 N ATOM 1699 CA GLU B 95 -21.118 5.635 1.278 1.00 0.00 C ATOM 1700 C GLU B 95 -21.335 5.774 -0.225 1.00 0.00 C ATOM 1701 O GLU B 95 -22.329 6.359 -0.659 1.00 0.00 O ATOM 1702 CB GLU B 95 -20.678 6.966 1.877 1.00 0.00 C ATOM 1703 CG GLU B 95 -20.608 6.934 3.391 1.00 0.00 C ATOM 1704 CD GLU B 95 -20.421 8.306 3.992 1.00 0.00 C ATOM 1705 OE1 GLU B 95 -19.268 8.775 4.071 1.00 0.00 O ATOM 1706 OE2 GLU B 95 -21.429 8.926 4.387 1.00 0.00 O1- ATOM 0 H GLU B 95 -19.274 4.927 1.982 1.00 0.00 H new ATOM 0 HA GLU B 95 -22.072 5.344 1.718 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -19.699 7.233 1.478 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -21.373 7.746 1.566 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -21.523 6.491 3.784 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -19.784 6.291 3.700 1.00 0.00 H new ATOM 1713 N LYS B 96 -20.419 5.233 -1.019 1.00 0.00 N ATOM 1714 CA LYS B 96 -20.543 5.328 -2.465 1.00 0.00 C ATOM 1715 C LYS B 96 -21.489 4.262 -3.002 1.00 0.00 C ATOM 1716 O LYS B 96 -22.419 4.565 -3.747 1.00 0.00 O ATOM 1717 CB LYS B 96 -19.169 5.228 -3.156 1.00 0.00 C ATOM 1718 CG LYS B 96 -18.693 3.819 -3.483 1.00 0.00 C ATOM 1719 CD LYS B 96 -17.385 3.826 -4.257 1.00 0.00 C ATOM 1720 CE LYS B 96 -17.500 4.636 -5.540 1.00 0.00 C ATOM 1721 NZ LYS B 96 -16.326 4.437 -6.429 1.00 0.00 N1+ ATOM 0 H LYS B 96 -19.594 4.731 -0.691 1.00 0.00 H new ATOM 0 HA LYS B 96 -20.963 6.308 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.206 5.803 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.426 5.703 -2.516 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.564 3.256 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -19.457 3.304 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.594 4.242 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -17.097 2.802 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -18.409 4.350 -6.070 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -17.594 5.694 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -16.482 4.938 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -15.473 4.812 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -16.201 3.422 -6.616 1.00 0.00 H new ATOM 1735 N HIS B 97 -21.248 3.012 -2.633 1.00 0.00 N ATOM 1736 CA HIS B 97 -22.005 1.916 -3.212 1.00 0.00 C ATOM 1737 C HIS B 97 -22.919 1.234 -2.200 1.00 0.00 C ATOM 1738 O HIS B 97 -24.053 0.893 -2.529 1.00 0.00 O ATOM 1739 CB HIS B 97 -21.074 0.892 -3.851 1.00 0.00 C ATOM 1740 CG HIS B 97 -21.700 0.195 -5.025 1.00 0.00 C ATOM 1741 ND1 HIS B 97 -21.484 -1.131 -5.320 1.00 0.00 N ATOM 1742 CD2 HIS B 97 -22.540 0.657 -5.984 1.00 0.00 C ATOM 1743 CE1 HIS B 97 -22.162 -1.455 -6.406 1.00 0.00 C ATOM 1744 NE2 HIS B 97 -22.812 -0.390 -6.827 1.00 0.00 N ATOM 0 H HIS B 97 -20.546 2.736 -1.947 1.00 0.00 H new ATOM 0 HA HIS B 97 -22.642 2.352 -3.982 1.00 0.00 H new ATOM 0 HB2 HIS B 97 -20.160 1.390 -4.174 1.00 0.00 H new ATOM 0 HB3 HIS B 97 -20.787 0.152 -3.104 1.00 0.00 H new ATOM 0 HD1 HIS B 97 -20.892 -1.765 -4.783 1.00 0.00 H new ATOM 0 HD2 HIS B 97 -22.924 1.663 -6.068 1.00 0.00 H new ATOM 0 HE1 HIS B 97 -22.180 -2.430 -6.871 1.00 0.00 H new ATOM 1753 N LEU B 98 -22.427 1.015 -0.980 1.00 0.00 N ATOM 1754 CA LEU B 98 -23.227 0.333 0.038 1.00 0.00 C ATOM 1755 C LEU B 98 -24.375 1.211 0.486 1.00 0.00 C ATOM 1756 O LEU B 98 -25.441 0.722 0.844 1.00 0.00 O ATOM 1757 CB LEU B 98 -22.393 -0.041 1.259 1.00 0.00 C ATOM 1758 CG LEU B 98 -21.264 -1.046 1.022 1.00 0.00 C ATOM 1759 CD1 LEU B 98 -20.582 -1.378 2.334 1.00 0.00 C ATOM 1760 CD2 LEU B 98 -21.789 -2.315 0.369 1.00 0.00 C ATOM 0 H LEU B 98 -21.494 1.294 -0.676 1.00 0.00 H new ATOM 0 HA LEU B 98 -23.609 -0.580 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -21.960 0.871 1.671 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -23.060 -0.448 2.019 1.00 0.00 H new ATOM 0 HG LEU B 98 -20.540 -0.592 0.346 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.780 -2.094 2.156 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -20.167 -0.469 2.769 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -21.308 -1.810 3.022 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -20.965 -3.011 0.212 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -22.535 -2.776 1.017 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -22.244 -2.069 -0.591 1.00 0.00 H new ATOM 1772 N ILE B 99 -24.141 2.509 0.471 1.00 0.00 N ATOM 1773 CA ILE B 99 -25.189 3.463 0.741 1.00 0.00 C ATOM 1774 C ILE B 99 -25.876 3.835 -0.566 1.00 0.00 C ATOM 1775 O ILE B 99 -25.301 4.521 -1.411 1.00 0.00 O ATOM 1776 CB ILE B 99 -24.638 4.724 1.438 1.00 0.00 C ATOM 1777 CG1 ILE B 99 -23.970 4.348 2.764 1.00 0.00 C ATOM 1778 CG2 ILE B 99 -25.741 5.746 1.671 1.00 0.00 C ATOM 1779 CD1 ILE B 99 -24.882 3.626 3.736 1.00 0.00 C ATOM 0 H ILE B 99 -23.230 2.924 0.274 1.00 0.00 H new ATOM 0 HA ILE B 99 -25.911 3.006 1.418 1.00 0.00 H new ATOM 0 HB ILE B 99 -23.892 5.176 0.784 1.00 0.00 H new ATOM 0 HG12 ILE B 99 -23.106 3.717 2.557 1.00 0.00 H new ATOM 0 HG13 ILE B 99 -23.596 5.255 3.239 1.00 0.00 H new ATOM 0 HG21 ILE B 99 -25.325 6.625 2.164 1.00 0.00 H new ATOM 0 HG22 ILE B 99 -26.175 6.038 0.715 1.00 0.00 H new ATOM 0 HG23 ILE B 99 -26.515 5.309 2.302 1.00 0.00 H new ATOM 0 HD11 ILE B 99 -24.332 3.396 4.649 1.00 0.00 H new ATOM 0 HD12 ILE B 99 -25.734 4.262 3.976 1.00 0.00 H new ATOM 0 HD13 ILE B 99 -25.237 2.700 3.283 1.00 0.00 H new ATOM 1791 N PRO B 100 -27.117 3.365 -0.750 1.00 0.00 N ATOM 1792 CA PRO B 100 -27.896 3.630 -1.961 1.00 0.00 C ATOM 1793 C PRO B 100 -28.450 5.049 -1.984 1.00 0.00 C ATOM 1794 O PRO B 100 -29.245 5.415 -2.850 1.00 0.00 O ATOM 1795 CB PRO B 100 -29.031 2.611 -1.883 1.00 0.00 C ATOM 1796 CG PRO B 100 -29.194 2.319 -0.428 1.00 0.00 C ATOM 1797 CD PRO B 100 -27.845 2.515 0.210 1.00 0.00 C ATOM 0 HA PRO B 100 -27.294 3.543 -2.865 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -29.950 3.012 -2.310 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -28.788 1.707 -2.441 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -29.933 2.984 0.019 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -29.549 1.300 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -27.930 2.996 1.184 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -27.336 1.564 0.367 1.00 0.00 H new ATOM 1805 N LYS B 101 -28.021 5.833 -1.017 1.00 0.00 N ATOM 1806 CA LYS B 101 -28.445 7.211 -0.888 1.00 0.00 C ATOM 1807 C LYS B 101 -27.404 8.139 -1.503 1.00 0.00 C ATOM 1808 O LYS B 101 -27.623 8.606 -2.641 1.00 0.00 O ATOM 1809 CB LYS B 101 -28.663 7.549 0.586 1.00 0.00 C ATOM 1810 CG LYS B 101 -29.574 6.560 1.293 1.00 0.00 C ATOM 1811 CD LYS B 101 -29.817 6.952 2.739 1.00 0.00 C ATOM 1812 CE LYS B 101 -30.813 6.017 3.405 1.00 0.00 C ATOM 1813 NZ LYS B 101 -32.141 6.047 2.737 1.00 0.00 N1+ ATOM 1814 OXT LYS B 101 -26.356 8.375 -0.862 1.00 0.00 O ATOM 0 H LYS B 101 -27.366 5.531 -0.296 1.00 0.00 H new ATOM 0 HA LYS B 101 -29.386 7.349 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS B 101 -27.699 7.574 1.094 1.00 0.00 H new ATOM 0 HB3 LYS B 101 -29.090 8.549 0.665 1.00 0.00 H new ATOM 0 HG2 LYS B 101 -30.527 6.503 0.767 1.00 0.00 H new ATOM 0 HG3 LYS B 101 -29.129 5.565 1.256 1.00 0.00 H new ATOM 0 HD2 LYS B 101 -28.875 6.933 3.286 1.00 0.00 H new ATOM 0 HD3 LYS B 101 -30.190 7.975 2.783 1.00 0.00 H new ATOM 0 HE2 LYS B 101 -30.422 5.000 3.388 1.00 0.00 H new ATOM 0 HE3 LYS B 101 -30.928 6.297 4.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 -32.860 5.652 3.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 -32.389 7.029 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 -32.104 5.481 1.865 1.00 0.00 H new TER 1828 LYS B 101