USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 SER OG : rot 130:sc= 0.687 USER MOD Set 1.2: A 69 THR OG1 : rot -99:sc= 0.512 USER MOD Set 2.1: A 18 TYR OH : rot -129:sc= 0.899 USER MOD Set 2.2: A 20 GLN : amide:sc= 0.678 K(o=1.6,f=-0.87) USER MOD Single : A 1 MET CE :methyl 141:sc= -0.146 (180deg=-0.691) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 43:sc= 0.123 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.325 K(o=-0.32,f=-1.1) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.12) USER MOD Single : A 10 HIS : no HD1:sc= 1.07 K(o=1.1,f=-5.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 22 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=-0.068) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 123:sc= -2.42! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -162:sc= -0.0877 (180deg=-0.518) USER MOD Single : A 52 SER OG : rot 6:sc= 1.2 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 173:sc= -0.456 USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= 0.835 (180deg=-0.131!) USER MOD Single : A 89 LYS NZ :NH3+ -165:sc= 1.29 (180deg=1.23) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= 3.39 (180deg=2.41) USER MOD Single : A 98 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 72:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.498 4.593 -37.535 1.00 0.00 N ATOM 2 CA MET A 1 13.119 3.637 -36.469 1.00 0.00 C ATOM 3 C MET A 1 14.047 2.431 -36.481 1.00 0.00 C ATOM 4 O MET A 1 14.080 1.674 -37.452 1.00 0.00 O ATOM 5 CB MET A 1 11.671 3.180 -36.656 1.00 0.00 C ATOM 6 CG MET A 1 11.207 2.174 -35.615 1.00 0.00 C ATOM 7 SD MET A 1 9.485 1.687 -35.835 1.00 0.00 S ATOM 8 CE MET A 1 9.546 0.960 -37.475 1.00 0.00 C ATOM 0 H1 MET A 1 12.855 5.410 -37.513 1.00 0.00 H new ATOM 0 H2 MET A 1 14.474 4.916 -37.380 1.00 0.00 H new ATOM 0 H3 MET A 1 13.431 4.125 -38.461 1.00 0.00 H new ATOM 0 HA MET A 1 13.210 4.142 -35.507 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.017 4.052 -36.622 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.564 2.739 -37.647 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.840 1.288 -35.665 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.335 2.602 -34.621 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.907 0.078 -37.506 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.197 1.687 -38.208 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.571 0.673 -37.708 1.00 0.00 H new ATOM 18 N GLY A 2 14.799 2.261 -35.405 1.00 0.00 N ATOM 19 CA GLY A 2 15.713 1.144 -35.312 1.00 0.00 C ATOM 20 C GLY A 2 15.040 -0.104 -34.783 1.00 0.00 C ATOM 21 O GLY A 2 15.068 -0.368 -33.581 1.00 0.00 O ATOM 0 H GLY A 2 14.792 2.878 -34.593 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.134 0.938 -36.296 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.544 1.411 -34.659 1.00 0.00 H new ATOM 25 N SER A 3 14.419 -0.857 -35.680 1.00 0.00 N ATOM 26 CA SER A 3 13.783 -2.111 -35.317 1.00 0.00 C ATOM 27 C SER A 3 14.838 -3.117 -34.863 1.00 0.00 C ATOM 28 O SER A 3 14.859 -3.509 -33.696 1.00 0.00 O ATOM 29 CB SER A 3 12.997 -2.661 -36.506 1.00 0.00 C ATOM 30 OG SER A 3 12.067 -1.703 -36.984 1.00 0.00 O ATOM 0 H SER A 3 14.343 -0.618 -36.669 1.00 0.00 H new ATOM 0 HA SER A 3 13.091 -1.936 -34.493 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.685 -2.937 -37.306 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.471 -3.569 -36.211 1.00 0.00 H new ATOM 0 HG SER A 3 11.576 -2.075 -37.746 1.00 0.00 H new ATOM 36 N SER A 4 15.726 -3.495 -35.792 1.00 0.00 N ATOM 37 CA SER A 4 16.857 -4.389 -35.513 1.00 0.00 C ATOM 38 C SER A 4 16.488 -5.555 -34.587 1.00 0.00 C ATOM 39 O SER A 4 16.776 -5.524 -33.386 1.00 0.00 O ATOM 40 CB SER A 4 18.026 -3.590 -34.920 1.00 0.00 C ATOM 41 OG SER A 4 17.610 -2.823 -33.798 1.00 0.00 O ATOM 0 H SER A 4 15.679 -3.187 -36.763 1.00 0.00 H new ATOM 0 HA SER A 4 17.154 -4.829 -36.465 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.822 -4.273 -34.622 1.00 0.00 H new ATOM 0 HB3 SER A 4 18.441 -2.929 -35.681 1.00 0.00 H new ATOM 0 HG SER A 4 17.020 -3.364 -33.233 1.00 0.00 H new ATOM 47 N HIS A 5 15.853 -6.582 -35.137 1.00 0.00 N ATOM 48 CA HIS A 5 15.466 -7.740 -34.345 1.00 0.00 C ATOM 49 C HIS A 5 16.662 -8.665 -34.151 1.00 0.00 C ATOM 50 O HIS A 5 16.825 -9.647 -34.875 1.00 0.00 O ATOM 51 CB HIS A 5 14.305 -8.503 -35.001 1.00 0.00 C ATOM 52 CG HIS A 5 13.009 -7.750 -35.016 1.00 0.00 C ATOM 53 ND1 HIS A 5 12.107 -7.794 -33.978 1.00 0.00 N ATOM 54 CD2 HIS A 5 12.462 -6.935 -35.950 1.00 0.00 C ATOM 55 CE1 HIS A 5 11.062 -7.046 -34.273 1.00 0.00 C ATOM 56 NE2 HIS A 5 11.246 -6.512 -35.466 1.00 0.00 N ATOM 0 H HIS A 5 15.597 -6.636 -36.123 1.00 0.00 H new ATOM 0 HA HIS A 5 15.126 -7.385 -33.372 1.00 0.00 H new ATOM 0 HB2 HIS A 5 14.581 -8.751 -36.026 1.00 0.00 H new ATOM 0 HB3 HIS A 5 14.159 -9.445 -34.473 1.00 0.00 H new ATOM 0 HD2 HIS A 5 12.900 -6.667 -36.900 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.198 -6.895 -33.643 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.596 -5.891 -35.948 1.00 0.00 H new ATOM 65 N HIS A 6 17.516 -8.318 -33.194 1.00 0.00 N ATOM 66 CA HIS A 6 18.693 -9.125 -32.887 1.00 0.00 C ATOM 67 C HIS A 6 18.270 -10.419 -32.211 1.00 0.00 C ATOM 68 O HIS A 6 17.798 -10.406 -31.074 1.00 0.00 O ATOM 69 CB HIS A 6 19.666 -8.371 -31.970 1.00 0.00 C ATOM 70 CG HIS A 6 20.218 -7.102 -32.549 1.00 0.00 C ATOM 71 ND1 HIS A 6 21.310 -7.065 -33.386 1.00 0.00 N ATOM 72 CD2 HIS A 6 19.839 -5.814 -32.378 1.00 0.00 C ATOM 73 CE1 HIS A 6 21.580 -5.813 -33.700 1.00 0.00 C ATOM 74 NE2 HIS A 6 20.703 -5.030 -33.101 1.00 0.00 N ATOM 0 H HIS A 6 17.416 -7.483 -32.617 1.00 0.00 H new ATOM 0 HA HIS A 6 19.202 -9.343 -33.826 1.00 0.00 H new ATOM 0 HB2 HIS A 6 19.155 -8.136 -31.036 1.00 0.00 H new ATOM 0 HB3 HIS A 6 20.496 -9.032 -31.722 1.00 0.00 H new ATOM 0 HD2 HIS A 6 19.008 -5.467 -31.782 1.00 0.00 H new ATOM 0 HE1 HIS A 6 22.385 -5.484 -34.341 1.00 0.00 H new ATOM 0 HE2 HIS A 6 20.672 -4.012 -33.165 1.00 0.00 H new ATOM 83 N HIS A 7 18.424 -11.529 -32.910 1.00 0.00 N ATOM 84 CA HIS A 7 18.035 -12.817 -32.361 1.00 0.00 C ATOM 85 C HIS A 7 19.219 -13.517 -31.713 1.00 0.00 C ATOM 86 O HIS A 7 20.341 -13.480 -32.225 1.00 0.00 O ATOM 87 CB HIS A 7 17.425 -13.709 -33.441 1.00 0.00 C ATOM 88 CG HIS A 7 16.032 -13.317 -33.824 1.00 0.00 C ATOM 89 ND1 HIS A 7 15.692 -12.882 -35.085 1.00 0.00 N ATOM 90 CD2 HIS A 7 14.884 -13.307 -33.104 1.00 0.00 C ATOM 91 CE1 HIS A 7 14.399 -12.623 -35.125 1.00 0.00 C ATOM 92 NE2 HIS A 7 13.883 -12.873 -33.937 1.00 0.00 N ATOM 0 H HIS A 7 18.813 -11.566 -33.852 1.00 0.00 H new ATOM 0 HA HIS A 7 17.282 -12.633 -31.595 1.00 0.00 H new ATOM 0 HB2 HIS A 7 18.059 -13.678 -34.327 1.00 0.00 H new ATOM 0 HB3 HIS A 7 17.420 -14.740 -33.089 1.00 0.00 H new ATOM 0 HD2 HIS A 7 14.777 -13.588 -32.067 1.00 0.00 H new ATOM 0 HE1 HIS A 7 13.854 -12.266 -35.986 1.00 0.00 H new ATOM 0 HE2 HIS A 7 12.902 -12.762 -33.680 1.00 0.00 H new ATOM 101 N HIS A 8 18.953 -14.138 -30.578 1.00 0.00 N ATOM 102 CA HIS A 8 19.951 -14.900 -29.852 1.00 0.00 C ATOM 103 C HIS A 8 19.587 -16.378 -29.908 1.00 0.00 C ATOM 104 O HIS A 8 18.515 -16.766 -29.440 1.00 0.00 O ATOM 105 CB HIS A 8 20.016 -14.404 -28.399 1.00 0.00 C ATOM 106 CG HIS A 8 20.894 -15.214 -27.493 1.00 0.00 C ATOM 107 ND1 HIS A 8 22.204 -14.896 -27.228 1.00 0.00 N ATOM 108 CD2 HIS A 8 20.625 -16.322 -26.764 1.00 0.00 C ATOM 109 CE1 HIS A 8 22.702 -15.767 -26.373 1.00 0.00 C ATOM 110 NE2 HIS A 8 21.764 -16.646 -26.073 1.00 0.00 N ATOM 0 H HIS A 8 18.035 -14.128 -30.133 1.00 0.00 H new ATOM 0 HA HIS A 8 20.933 -14.764 -30.305 1.00 0.00 H new ATOM 0 HB2 HIS A 8 20.371 -13.373 -28.398 1.00 0.00 H new ATOM 0 HB3 HIS A 8 19.006 -14.394 -27.989 1.00 0.00 H new ATOM 0 HD2 HIS A 8 19.685 -16.854 -26.732 1.00 0.00 H new ATOM 0 HE1 HIS A 8 23.709 -15.762 -25.983 1.00 0.00 H new ATOM 0 HE2 HIS A 8 21.869 -17.434 -25.434 1.00 0.00 H new ATOM 119 N HIS A 9 20.459 -17.195 -30.494 1.00 0.00 N ATOM 120 CA HIS A 9 20.180 -18.622 -30.623 1.00 0.00 C ATOM 121 C HIS A 9 20.110 -19.280 -29.250 1.00 0.00 C ATOM 122 O HIS A 9 21.115 -19.416 -28.549 1.00 0.00 O ATOM 123 CB HIS A 9 21.200 -19.337 -31.536 1.00 0.00 C ATOM 124 CG HIS A 9 22.640 -19.281 -31.094 1.00 0.00 C ATOM 125 ND1 HIS A 9 23.514 -18.301 -31.506 1.00 0.00 N ATOM 126 CD2 HIS A 9 23.365 -20.114 -30.304 1.00 0.00 C ATOM 127 CE1 HIS A 9 24.708 -18.529 -30.992 1.00 0.00 C ATOM 128 NE2 HIS A 9 24.644 -19.622 -30.256 1.00 0.00 N ATOM 0 H HIS A 9 21.354 -16.898 -30.883 1.00 0.00 H new ATOM 0 HA HIS A 9 19.207 -18.722 -31.104 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.908 -20.384 -31.622 1.00 0.00 H new ATOM 0 HB3 HIS A 9 21.130 -18.903 -32.534 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.001 -21.000 -29.805 1.00 0.00 H new ATOM 0 HE1 HIS A 9 25.589 -17.923 -31.148 1.00 0.00 H new ATOM 0 HE2 HIS A 9 25.419 -20.034 -29.736 1.00 0.00 H new ATOM 137 N HIS A 10 18.906 -19.650 -28.850 1.00 0.00 N ATOM 138 CA HIS A 10 18.700 -20.300 -27.570 1.00 0.00 C ATOM 139 C HIS A 10 18.842 -21.806 -27.719 1.00 0.00 C ATOM 140 O HIS A 10 17.858 -22.542 -27.752 1.00 0.00 O ATOM 141 CB HIS A 10 17.332 -19.944 -26.982 1.00 0.00 C ATOM 142 CG HIS A 10 17.116 -20.472 -25.592 1.00 0.00 C ATOM 143 ND1 HIS A 10 15.955 -21.099 -25.196 1.00 0.00 N ATOM 144 CD2 HIS A 10 17.921 -20.457 -24.500 1.00 0.00 C ATOM 145 CE1 HIS A 10 16.055 -21.448 -23.925 1.00 0.00 C ATOM 146 NE2 HIS A 10 17.236 -21.066 -23.480 1.00 0.00 N ATOM 0 H HIS A 10 18.055 -19.511 -29.395 1.00 0.00 H new ATOM 0 HA HIS A 10 19.462 -19.941 -26.879 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.223 -18.860 -26.970 1.00 0.00 H new ATOM 0 HB3 HIS A 10 16.552 -20.336 -27.635 1.00 0.00 H new ATOM 0 HD2 HIS A 10 18.917 -20.042 -24.444 1.00 0.00 H new ATOM 0 HE1 HIS A 10 15.298 -21.959 -23.349 1.00 0.00 H new ATOM 0 HE2 HIS A 10 17.584 -21.202 -22.531 1.00 0.00 H new ATOM 155 N SER A 11 20.076 -22.249 -27.849 1.00 0.00 N ATOM 156 CA SER A 11 20.371 -23.664 -27.924 1.00 0.00 C ATOM 157 C SER A 11 20.853 -24.152 -26.570 1.00 0.00 C ATOM 158 O SER A 11 21.909 -23.733 -26.088 1.00 0.00 O ATOM 159 CB SER A 11 21.417 -23.925 -29.005 1.00 0.00 C ATOM 160 OG SER A 11 20.975 -23.429 -30.259 1.00 0.00 O ATOM 0 H SER A 11 20.895 -21.644 -27.905 1.00 0.00 H new ATOM 0 HA SER A 11 19.468 -24.213 -28.191 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.358 -23.448 -28.731 1.00 0.00 H new ATOM 0 HB3 SER A 11 21.612 -24.995 -29.079 1.00 0.00 H new ATOM 0 HG SER A 11 21.659 -23.604 -30.939 1.00 0.00 H new ATOM 166 N SER A 12 20.056 -25.010 -25.949 1.00 0.00 N ATOM 167 CA SER A 12 20.338 -25.494 -24.609 1.00 0.00 C ATOM 168 C SER A 12 21.571 -26.396 -24.586 1.00 0.00 C ATOM 169 O SER A 12 21.471 -27.608 -24.775 1.00 0.00 O ATOM 170 CB SER A 12 19.125 -26.256 -24.064 1.00 0.00 C ATOM 171 OG SER A 12 17.938 -25.492 -24.203 1.00 0.00 O ATOM 0 H SER A 12 19.201 -25.387 -26.358 1.00 0.00 H new ATOM 0 HA SER A 12 20.543 -24.630 -23.977 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.017 -27.202 -24.595 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.285 -26.497 -23.013 1.00 0.00 H new ATOM 0 HG SER A 12 17.178 -26.001 -23.850 1.00 0.00 H new ATOM 177 N GLY A 13 22.737 -25.793 -24.391 1.00 0.00 N ATOM 178 CA GLY A 13 23.948 -26.565 -24.217 1.00 0.00 C ATOM 179 C GLY A 13 24.017 -27.156 -22.824 1.00 0.00 C ATOM 180 O GLY A 13 23.837 -28.359 -22.638 1.00 0.00 O ATOM 0 H GLY A 13 22.864 -24.782 -24.351 1.00 0.00 H new ATOM 0 HA2 GLY A 13 23.984 -27.364 -24.958 1.00 0.00 H new ATOM 0 HA3 GLY A 13 24.817 -25.930 -24.390 1.00 0.00 H new ATOM 184 N ARG A 14 24.259 -26.299 -21.844 1.00 0.00 N ATOM 185 CA ARG A 14 24.251 -26.703 -20.446 1.00 0.00 C ATOM 186 C ARG A 14 23.496 -25.687 -19.597 1.00 0.00 C ATOM 187 O ARG A 14 23.806 -25.500 -18.420 1.00 0.00 O ATOM 188 CB ARG A 14 25.678 -26.865 -19.914 1.00 0.00 C ATOM 189 CG ARG A 14 26.355 -28.156 -20.347 1.00 0.00 C ATOM 190 CD ARG A 14 25.576 -29.374 -19.880 1.00 0.00 C ATOM 191 NE ARG A 14 26.282 -30.621 -20.163 1.00 0.00 N ATOM 192 CZ ARG A 14 25.689 -31.808 -20.273 1.00 0.00 C ATOM 193 NH1 ARG A 14 24.371 -31.914 -20.171 1.00 0.00 N ATOM 194 NH2 ARG A 14 26.424 -32.891 -20.484 1.00 0.00 N ATOM 0 H ARG A 14 24.465 -25.311 -21.993 1.00 0.00 H new ATOM 0 HA ARG A 14 23.744 -27.666 -20.381 1.00 0.00 H new ATOM 0 HB2 ARG A 14 26.279 -26.020 -20.251 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.656 -26.826 -18.825 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.446 -28.175 -21.433 1.00 0.00 H new ATOM 0 HG3 ARG A 14 27.366 -28.192 -19.942 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.393 -29.297 -18.808 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.602 -29.390 -20.370 1.00 0.00 H new ATOM 0 HE ARG A 14 27.294 -30.580 -20.284 1.00 0.00 H new ATOM 0 HH11 ARG A 14 23.804 -31.082 -20.007 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.925 -32.827 -20.257 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.438 -32.812 -20.561 1.00 0.00 H new ATOM 0 HH22 ARG A 14 25.975 -33.803 -20.569 1.00 0.00 H new ATOM 208 N GLU A 15 22.493 -25.045 -20.191 1.00 0.00 N ATOM 209 CA GLU A 15 21.687 -24.070 -19.466 1.00 0.00 C ATOM 210 C GLU A 15 20.767 -24.785 -18.483 1.00 0.00 C ATOM 211 O GLU A 15 19.652 -25.187 -18.822 1.00 0.00 O ATOM 212 CB GLU A 15 20.877 -23.188 -20.427 1.00 0.00 C ATOM 213 CG GLU A 15 20.105 -22.079 -19.723 1.00 0.00 C ATOM 214 CD GLU A 15 19.373 -21.160 -20.681 1.00 0.00 C ATOM 215 OE1 GLU A 15 19.923 -20.089 -21.020 1.00 0.00 O ATOM 216 OE2 GLU A 15 18.237 -21.485 -21.082 1.00 0.00 O ATOM 0 H GLU A 15 22.221 -25.182 -21.165 1.00 0.00 H new ATOM 0 HA GLU A 15 22.359 -23.416 -18.910 1.00 0.00 H new ATOM 0 HB2 GLU A 15 21.553 -22.743 -21.158 1.00 0.00 H new ATOM 0 HB3 GLU A 15 20.177 -23.814 -20.980 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.385 -22.525 -19.037 1.00 0.00 H new ATOM 0 HG3 GLU A 15 20.796 -21.489 -19.121 1.00 0.00 H new ATOM 224 N ASN A 16 21.269 -24.988 -17.277 1.00 0.00 N ATOM 225 CA ASN A 16 20.512 -25.646 -16.228 1.00 0.00 C ATOM 226 C ASN A 16 20.755 -24.940 -14.905 1.00 0.00 C ATOM 227 O ASN A 16 21.885 -24.875 -14.423 1.00 0.00 O ATOM 228 CB ASN A 16 20.920 -27.116 -16.114 1.00 0.00 C ATOM 229 CG ASN A 16 20.039 -27.891 -15.151 1.00 0.00 C ATOM 230 OD1 ASN A 16 18.844 -27.617 -15.021 1.00 0.00 O ATOM 231 ND2 ASN A 16 20.628 -28.851 -14.457 1.00 0.00 N ATOM 0 H ASN A 16 22.208 -24.703 -16.999 1.00 0.00 H new ATOM 0 HA ASN A 16 19.452 -25.598 -16.477 1.00 0.00 H new ATOM 0 HB2 ASN A 16 20.872 -27.580 -17.099 1.00 0.00 H new ATOM 0 HB3 ASN A 16 21.957 -27.177 -15.783 1.00 0.00 H new ATOM 0 HD21 ASN A 16 20.090 -29.397 -13.784 1.00 0.00 H new ATOM 0 HD22 ASN A 16 21.620 -29.045 -14.595 1.00 0.00 H new ATOM 238 N LEU A 17 19.702 -24.388 -14.334 1.00 0.00 N ATOM 239 CA LEU A 17 19.820 -23.658 -13.084 1.00 0.00 C ATOM 240 C LEU A 17 19.098 -24.390 -11.963 1.00 0.00 C ATOM 241 O LEU A 17 17.883 -24.585 -12.018 1.00 0.00 O ATOM 242 CB LEU A 17 19.255 -22.241 -13.240 1.00 0.00 C ATOM 243 CG LEU A 17 19.968 -21.355 -14.266 1.00 0.00 C ATOM 244 CD1 LEU A 17 19.262 -20.012 -14.387 1.00 0.00 C ATOM 245 CD2 LEU A 17 21.425 -21.157 -13.881 1.00 0.00 C ATOM 0 H LEU A 17 18.756 -24.430 -14.714 1.00 0.00 H new ATOM 0 HA LEU A 17 20.877 -23.590 -12.826 1.00 0.00 H new ATOM 0 HB2 LEU A 17 18.204 -22.317 -13.519 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.292 -21.745 -12.270 1.00 0.00 H new ATOM 0 HG LEU A 17 19.934 -21.854 -15.235 1.00 0.00 H new ATOM 0 HD11 LEU A 17 19.780 -19.393 -15.120 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.232 -20.170 -14.708 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.267 -19.510 -13.420 1.00 0.00 H new ATOM 0 HD21 LEU A 17 21.914 -20.525 -14.622 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.481 -20.679 -12.903 1.00 0.00 H new ATOM 0 HD23 LEU A 17 21.926 -22.124 -13.842 1.00 0.00 H new ATOM 257 N TYR A 18 19.856 -24.820 -10.964 1.00 0.00 N ATOM 258 CA TYR A 18 19.271 -25.414 -9.774 1.00 0.00 C ATOM 259 C TYR A 18 18.572 -24.331 -8.964 1.00 0.00 C ATOM 260 O TYR A 18 19.218 -23.455 -8.387 1.00 0.00 O ATOM 261 CB TYR A 18 20.346 -26.116 -8.935 1.00 0.00 C ATOM 262 CG TYR A 18 19.840 -26.667 -7.619 1.00 0.00 C ATOM 263 CD1 TYR A 18 19.136 -27.866 -7.563 1.00 0.00 C ATOM 264 CD2 TYR A 18 20.069 -25.986 -6.430 1.00 0.00 C ATOM 265 CE1 TYR A 18 18.671 -28.365 -6.360 1.00 0.00 C ATOM 266 CE2 TYR A 18 19.608 -26.479 -5.225 1.00 0.00 C ATOM 267 CZ TYR A 18 18.911 -27.668 -5.195 1.00 0.00 C ATOM 268 OH TYR A 18 18.449 -28.158 -3.992 1.00 0.00 O ATOM 0 H TYR A 18 20.875 -24.768 -10.955 1.00 0.00 H new ATOM 0 HA TYR A 18 18.539 -26.166 -10.069 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.772 -26.932 -9.519 1.00 0.00 H new ATOM 0 HB3 TYR A 18 21.154 -25.412 -8.735 1.00 0.00 H new ATOM 0 HD1 TYR A 18 18.950 -28.416 -8.474 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.617 -25.055 -6.448 1.00 0.00 H new ATOM 0 HE1 TYR A 18 18.123 -29.295 -6.333 1.00 0.00 H new ATOM 0 HE2 TYR A 18 19.793 -25.935 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 18 17.957 -27.455 -3.520 1.00 0.00 H new ATOM 278 N PHE A 19 17.253 -24.374 -8.951 1.00 0.00 N ATOM 279 CA PHE A 19 16.477 -23.351 -8.276 1.00 0.00 C ATOM 280 C PHE A 19 16.158 -23.762 -6.846 1.00 0.00 C ATOM 281 O PHE A 19 15.286 -24.597 -6.602 1.00 0.00 O ATOM 282 CB PHE A 19 15.187 -23.053 -9.043 1.00 0.00 C ATOM 283 CG PHE A 19 14.401 -21.905 -8.470 1.00 0.00 C ATOM 284 CD1 PHE A 19 14.800 -20.596 -8.692 1.00 0.00 C ATOM 285 CD2 PHE A 19 13.266 -22.134 -7.709 1.00 0.00 C ATOM 286 CE1 PHE A 19 14.082 -19.539 -8.169 1.00 0.00 C ATOM 287 CE2 PHE A 19 12.543 -21.081 -7.182 1.00 0.00 C ATOM 288 CZ PHE A 19 12.951 -19.781 -7.413 1.00 0.00 C ATOM 0 H PHE A 19 16.698 -25.104 -9.398 1.00 0.00 H new ATOM 0 HA PHE A 19 17.079 -22.443 -8.245 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.434 -22.832 -10.081 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.561 -23.946 -9.047 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.684 -20.401 -9.281 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.942 -23.148 -7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.404 -18.524 -8.351 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.660 -21.274 -6.590 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.387 -18.956 -7.004 1.00 0.00 H new ATOM 298 N GLN A 20 16.884 -23.180 -5.909 1.00 0.00 N ATOM 299 CA GLN A 20 16.626 -23.395 -4.498 1.00 0.00 C ATOM 300 C GLN A 20 15.782 -22.245 -3.965 1.00 0.00 C ATOM 301 O GLN A 20 16.249 -21.109 -3.898 1.00 0.00 O ATOM 302 CB GLN A 20 17.948 -23.499 -3.728 1.00 0.00 C ATOM 303 CG GLN A 20 17.783 -23.757 -2.238 1.00 0.00 C ATOM 304 CD GLN A 20 17.038 -25.045 -1.935 1.00 0.00 C ATOM 305 OE1 GLN A 20 17.081 -26.005 -2.709 1.00 0.00 O ATOM 306 NE2 GLN A 20 16.349 -25.074 -0.806 1.00 0.00 N ATOM 0 H GLN A 20 17.663 -22.550 -6.103 1.00 0.00 H new ATOM 0 HA GLN A 20 16.082 -24.330 -4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 20 18.545 -24.302 -4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 20 18.509 -22.575 -3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 20 18.767 -23.795 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 20 17.248 -22.921 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 20 16.339 -24.259 -0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.827 -25.912 -0.548 1.00 0.00 H new ATOM 315 N GLY A 21 14.530 -22.533 -3.631 1.00 0.00 N ATOM 316 CA GLY A 21 13.627 -21.508 -3.147 1.00 0.00 C ATOM 317 C GLY A 21 14.111 -20.851 -1.869 1.00 0.00 C ATOM 318 O GLY A 21 13.921 -21.384 -0.775 1.00 0.00 O ATOM 0 H GLY A 21 14.122 -23.466 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.504 -20.746 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.645 -21.948 -2.974 1.00 0.00 H new ATOM 322 N HIS A 22 14.750 -19.700 -2.011 1.00 0.00 N ATOM 323 CA HIS A 22 15.204 -18.935 -0.862 1.00 0.00 C ATOM 324 C HIS A 22 14.096 -18.005 -0.383 1.00 0.00 C ATOM 325 O HIS A 22 13.278 -17.546 -1.183 1.00 0.00 O ATOM 326 CB HIS A 22 16.480 -18.139 -1.196 1.00 0.00 C ATOM 327 CG HIS A 22 16.341 -17.157 -2.331 1.00 0.00 C ATOM 328 ND1 HIS A 22 16.847 -17.391 -3.594 1.00 0.00 N ATOM 329 CD2 HIS A 22 15.777 -15.924 -2.381 1.00 0.00 C ATOM 330 CE1 HIS A 22 16.597 -16.350 -4.366 1.00 0.00 C ATOM 331 NE2 HIS A 22 15.949 -15.446 -3.658 1.00 0.00 N ATOM 0 H HIS A 22 14.966 -19.275 -2.913 1.00 0.00 H new ATOM 0 HA HIS A 22 15.449 -19.631 -0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 22 16.796 -17.598 -0.304 1.00 0.00 H new ATOM 0 HB3 HIS A 22 17.275 -18.843 -1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 22 15.284 -15.413 -1.568 1.00 0.00 H new ATOM 0 HE1 HIS A 22 16.877 -16.255 -5.405 1.00 0.00 H new ATOM 0 HE2 HIS A 22 15.628 -14.541 -4.002 1.00 0.00 H new ATOM 340 N MET A 23 14.068 -17.744 0.914 1.00 0.00 N ATOM 341 CA MET A 23 13.050 -16.882 1.501 1.00 0.00 C ATOM 342 C MET A 23 13.188 -15.452 0.983 1.00 0.00 C ATOM 343 O MET A 23 14.287 -14.894 0.945 1.00 0.00 O ATOM 344 CB MET A 23 13.153 -16.911 3.031 1.00 0.00 C ATOM 345 CG MET A 23 12.091 -16.081 3.740 1.00 0.00 C ATOM 346 SD MET A 23 12.185 -16.227 5.537 1.00 0.00 S ATOM 347 CE MET A 23 10.888 -15.095 6.037 1.00 0.00 C ATOM 0 H MET A 23 14.740 -18.117 1.584 1.00 0.00 H new ATOM 0 HA MET A 23 12.069 -17.256 1.208 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.078 -17.944 3.370 1.00 0.00 H new ATOM 0 HB3 MET A 23 14.138 -16.549 3.325 1.00 0.00 H new ATOM 0 HG2 MET A 23 12.204 -15.034 3.457 1.00 0.00 H new ATOM 0 HG3 MET A 23 11.103 -16.397 3.404 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.822 -15.075 7.125 1.00 0.00 H new ATOM 0 HE2 MET A 23 11.116 -14.095 5.668 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.936 -15.426 5.622 1.00 0.00 H new ATOM 357 N ALA A 24 12.069 -14.875 0.563 1.00 0.00 N ATOM 358 CA ALA A 24 12.057 -13.514 0.047 1.00 0.00 C ATOM 359 C ALA A 24 12.023 -12.505 1.190 1.00 0.00 C ATOM 360 O ALA A 24 11.721 -12.854 2.335 1.00 0.00 O ATOM 361 CB ALA A 24 10.867 -13.311 -0.879 1.00 0.00 C ATOM 0 H ALA A 24 11.156 -15.331 0.570 1.00 0.00 H new ATOM 0 HA ALA A 24 12.972 -13.353 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.871 -12.289 -1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.933 -14.008 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.943 -13.491 -0.329 1.00 0.00 H new ATOM 367 N ALA A 25 12.341 -11.259 0.875 1.00 0.00 N ATOM 368 CA ALA A 25 12.364 -10.195 1.870 1.00 0.00 C ATOM 369 C ALA A 25 10.970 -9.617 2.096 1.00 0.00 C ATOM 370 O ALA A 25 10.268 -9.260 1.150 1.00 0.00 O ATOM 371 CB ALA A 25 13.333 -9.095 1.448 1.00 0.00 C ATOM 0 H ALA A 25 12.588 -10.957 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 25 12.705 -10.624 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.339 -8.307 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.336 -9.511 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.017 -8.680 0.491 1.00 0.00 H new ATOM 377 N ARG A 26 10.571 -9.546 3.355 1.00 0.00 N ATOM 378 CA ARG A 26 9.299 -8.947 3.726 1.00 0.00 C ATOM 379 C ARG A 26 9.478 -7.464 4.042 1.00 0.00 C ATOM 380 O ARG A 26 10.231 -7.095 4.945 1.00 0.00 O ATOM 381 CB ARG A 26 8.699 -9.678 4.936 1.00 0.00 C ATOM 382 CG ARG A 26 7.494 -8.974 5.547 1.00 0.00 C ATOM 383 CD ARG A 26 6.310 -8.915 4.590 1.00 0.00 C ATOM 384 NE ARG A 26 5.445 -10.087 4.693 1.00 0.00 N ATOM 385 CZ ARG A 26 4.135 -10.021 4.948 1.00 0.00 C ATOM 386 NH1 ARG A 26 3.555 -8.843 5.156 1.00 0.00 N ATOM 387 NH2 ARG A 26 3.414 -11.131 5.016 1.00 0.00 N ATOM 0 H ARG A 26 11.114 -9.899 4.143 1.00 0.00 H new ATOM 0 HA ARG A 26 8.614 -9.042 2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.405 -10.683 4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.469 -9.789 5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.196 -9.494 6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.776 -7.961 5.835 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.726 -8.018 4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.678 -8.828 3.568 1.00 0.00 H new ATOM 0 HE ARG A 26 5.864 -11.008 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.110 -7.988 5.121 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.555 -8.794 5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.859 -12.038 4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.414 -11.079 5.211 1.00 0.00 H new ATOM 401 N ILE A 27 8.801 -6.616 3.281 1.00 0.00 N ATOM 402 CA ILE A 27 8.824 -5.179 3.537 1.00 0.00 C ATOM 403 C ILE A 27 7.573 -4.756 4.300 1.00 0.00 C ATOM 404 O ILE A 27 7.661 -4.308 5.440 1.00 0.00 O ATOM 405 CB ILE A 27 8.948 -4.343 2.231 1.00 0.00 C ATOM 406 CG1 ILE A 27 10.331 -4.506 1.587 1.00 0.00 C ATOM 407 CG2 ILE A 27 8.682 -2.868 2.508 1.00 0.00 C ATOM 408 CD1 ILE A 27 10.560 -5.847 0.921 1.00 0.00 C ATOM 0 H ILE A 27 8.230 -6.895 2.483 1.00 0.00 H new ATOM 0 HA ILE A 27 9.710 -4.980 4.140 1.00 0.00 H new ATOM 0 HB ILE A 27 8.198 -4.718 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.468 -3.719 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.094 -4.360 2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.774 -2.301 1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.675 -2.749 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.407 -2.498 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.562 -5.874 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.459 -6.642 1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.824 -5.991 0.130 1.00 0.00 H new ATOM 420 N THR A 28 6.416 -4.930 3.662 1.00 0.00 N ATOM 421 CA THR A 28 5.128 -4.526 4.230 1.00 0.00 C ATOM 422 C THR A 28 4.958 -3.004 4.208 1.00 0.00 C ATOM 423 O THR A 28 5.853 -2.252 4.600 1.00 0.00 O ATOM 424 CB THR A 28 4.935 -5.048 5.674 1.00 0.00 C ATOM 425 OG1 THR A 28 5.010 -6.479 5.693 1.00 0.00 O ATOM 426 CG2 THR A 28 3.597 -4.605 6.254 1.00 0.00 C ATOM 0 H THR A 28 6.344 -5.355 2.737 1.00 0.00 H new ATOM 0 HA THR A 28 4.363 -4.978 3.599 1.00 0.00 H new ATOM 0 HB THR A 28 5.732 -4.627 6.287 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.717 -6.761 6.311 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.495 -4.989 7.269 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.551 -3.516 6.272 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.787 -4.992 5.636 1.00 0.00 H new ATOM 434 N GLY A 29 3.811 -2.560 3.724 1.00 0.00 N ATOM 435 CA GLY A 29 3.511 -1.147 3.712 1.00 0.00 C ATOM 436 C GLY A 29 2.407 -0.803 4.686 1.00 0.00 C ATOM 437 O GLY A 29 1.842 -1.688 5.330 1.00 0.00 O ATOM 0 H GLY A 29 3.079 -3.156 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.408 -0.582 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.217 -0.846 2.707 1.00 0.00 H new ATOM 441 N GLU A 30 2.095 0.477 4.796 1.00 0.00 N ATOM 442 CA GLU A 30 1.061 0.931 5.712 1.00 0.00 C ATOM 443 C GLU A 30 -0.329 0.599 5.176 1.00 0.00 C ATOM 444 O GLU A 30 -0.524 0.475 3.968 1.00 0.00 O ATOM 445 CB GLU A 30 1.172 2.440 5.948 1.00 0.00 C ATOM 446 CG GLU A 30 2.526 2.878 6.470 1.00 0.00 C ATOM 447 CD GLU A 30 2.526 4.324 6.913 1.00 0.00 C ATOM 448 OE1 GLU A 30 2.556 5.217 6.043 1.00 0.00 O ATOM 449 OE2 GLU A 30 2.482 4.574 8.134 1.00 0.00 O ATOM 0 H GLU A 30 2.543 1.222 4.262 1.00 0.00 H new ATOM 0 HA GLU A 30 1.206 0.410 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.967 2.961 5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.403 2.745 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.813 2.243 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.276 2.738 5.692 1.00 0.00 H new ATOM 457 N PRO A 31 -1.312 0.441 6.079 1.00 0.00 N ATOM 458 CA PRO A 31 -2.715 0.212 5.706 1.00 0.00 C ATOM 459 C PRO A 31 -3.345 1.416 4.997 1.00 0.00 C ATOM 460 O PRO A 31 -4.496 1.358 4.569 1.00 0.00 O ATOM 461 CB PRO A 31 -3.419 -0.040 7.048 1.00 0.00 C ATOM 462 CG PRO A 31 -2.325 -0.347 8.015 1.00 0.00 C ATOM 463 CD PRO A 31 -1.129 0.425 7.539 1.00 0.00 C ATOM 0 HA PRO A 31 -2.806 -0.614 5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.989 0.834 7.363 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.122 -0.869 6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.603 -0.052 9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.115 -1.416 8.041 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.106 1.432 7.955 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.195 -0.059 7.824 1.00 0.00 H new ATOM 471 N SER A 32 -2.589 2.507 4.897 1.00 0.00 N ATOM 472 CA SER A 32 -3.058 3.716 4.230 1.00 0.00 C ATOM 473 C SER A 32 -3.252 3.456 2.735 1.00 0.00 C ATOM 474 O SER A 32 -2.662 2.530 2.178 1.00 0.00 O ATOM 475 CB SER A 32 -2.059 4.859 4.449 1.00 0.00 C ATOM 476 OG SER A 32 -2.587 6.102 4.007 1.00 0.00 O ATOM 0 H SER A 32 -1.643 2.577 5.273 1.00 0.00 H new ATOM 0 HA SER A 32 -4.018 4.004 4.658 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.806 4.925 5.507 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.135 4.644 3.913 1.00 0.00 H new ATOM 0 HG SER A 32 -1.928 6.811 4.161 1.00 0.00 H new ATOM 482 N LYS A 33 -4.065 4.285 2.092 1.00 0.00 N ATOM 483 CA LYS A 33 -4.426 4.080 0.690 1.00 0.00 C ATOM 484 C LYS A 33 -3.310 4.513 -0.258 1.00 0.00 C ATOM 485 O LYS A 33 -3.359 4.227 -1.453 1.00 0.00 O ATOM 486 CB LYS A 33 -5.719 4.830 0.357 1.00 0.00 C ATOM 487 CG LYS A 33 -5.609 6.340 0.485 1.00 0.00 C ATOM 488 CD LYS A 33 -6.951 7.009 0.257 1.00 0.00 C ATOM 489 CE LYS A 33 -6.822 8.521 0.228 1.00 0.00 C ATOM 490 NZ LYS A 33 -8.141 9.185 0.098 1.00 0.00 N ATOM 0 H LYS A 33 -4.489 5.109 2.518 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.582 3.011 0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.018 4.583 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.512 4.477 1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.235 6.597 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.884 6.717 -0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.377 6.661 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.643 6.717 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.332 8.861 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.184 8.815 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.010 10.217 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.598 8.880 -0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.742 8.925 0.906 1.00 0.00 H new ATOM 504 N LYS A 34 -2.309 5.207 0.272 1.00 0.00 N ATOM 505 CA LYS A 34 -1.172 5.625 -0.539 1.00 0.00 C ATOM 506 C LYS A 34 0.031 4.726 -0.253 1.00 0.00 C ATOM 507 O LYS A 34 1.158 4.994 -0.674 1.00 0.00 O ATOM 508 CB LYS A 34 -0.832 7.099 -0.280 1.00 0.00 C ATOM 509 CG LYS A 34 0.104 7.691 -1.325 1.00 0.00 C ATOM 510 CD LYS A 34 0.342 9.178 -1.112 1.00 0.00 C ATOM 511 CE LYS A 34 1.248 9.746 -2.195 1.00 0.00 C ATOM 512 NZ LYS A 34 1.450 11.209 -2.046 1.00 0.00 N ATOM 0 H LYS A 34 -2.261 5.490 1.251 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.436 5.526 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.754 7.679 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.373 7.192 0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.058 7.165 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.316 7.531 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.611 9.707 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.793 9.341 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.214 9.242 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.816 9.538 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.073 11.552 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.532 11.694 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.887 11.407 -1.123 1.00 0.00 H new ATOM 526 N ALA A 35 -0.230 3.638 0.453 1.00 0.00 N ATOM 527 CA ALA A 35 0.797 2.672 0.786 1.00 0.00 C ATOM 528 C ALA A 35 0.346 1.283 0.366 1.00 0.00 C ATOM 529 O ALA A 35 -0.845 1.048 0.169 1.00 0.00 O ATOM 530 CB ALA A 35 1.100 2.719 2.274 1.00 0.00 C ATOM 0 H ALA A 35 -1.157 3.403 0.809 1.00 0.00 H new ATOM 0 HA ALA A 35 1.713 2.918 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.873 1.988 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.448 3.716 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.196 2.486 2.837 1.00 0.00 H new ATOM 536 N VAL A 36 1.290 0.369 0.216 1.00 0.00 N ATOM 537 CA VAL A 36 0.966 -0.974 -0.228 1.00 0.00 C ATOM 538 C VAL A 36 0.508 -1.844 0.936 1.00 0.00 C ATOM 539 O VAL A 36 1.276 -2.181 1.839 1.00 0.00 O ATOM 540 CB VAL A 36 2.141 -1.637 -0.981 1.00 0.00 C ATOM 541 CG1 VAL A 36 3.440 -1.543 -0.187 1.00 0.00 C ATOM 542 CG2 VAL A 36 1.817 -3.085 -1.320 1.00 0.00 C ATOM 0 H VAL A 36 2.281 0.532 0.394 1.00 0.00 H new ATOM 0 HA VAL A 36 0.139 -0.884 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 36 2.285 -1.090 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.244 -2.020 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.688 -0.495 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.318 -2.047 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.658 -3.532 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.630 -3.641 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.930 -3.121 -1.952 1.00 0.00 H new ATOM 552 N SER A 37 -0.763 -2.178 0.907 1.00 0.00 N ATOM 553 CA SER A 37 -1.354 -3.031 1.920 1.00 0.00 C ATOM 554 C SER A 37 -1.068 -4.496 1.597 1.00 0.00 C ATOM 555 O SER A 37 -1.293 -4.950 0.475 1.00 0.00 O ATOM 556 CB SER A 37 -2.858 -2.773 1.995 1.00 0.00 C ATOM 557 OG SER A 37 -3.119 -1.398 2.220 1.00 0.00 O ATOM 0 H SER A 37 -1.415 -1.869 0.186 1.00 0.00 H new ATOM 0 HA SER A 37 -0.915 -2.803 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.334 -3.092 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.295 -3.367 2.798 1.00 0.00 H new ATOM 0 HG SER A 37 -4.087 -1.252 2.263 1.00 0.00 H new ATOM 563 N ASP A 38 -0.586 -5.238 2.587 1.00 0.00 N ATOM 564 CA ASP A 38 -0.137 -6.611 2.369 1.00 0.00 C ATOM 565 C ASP A 38 -1.301 -7.604 2.434 1.00 0.00 C ATOM 566 O ASP A 38 -1.099 -8.803 2.619 1.00 0.00 O ATOM 567 CB ASP A 38 0.957 -6.983 3.381 1.00 0.00 C ATOM 568 CG ASP A 38 0.449 -7.131 4.801 1.00 0.00 C ATOM 569 OD1 ASP A 38 -0.407 -6.323 5.228 1.00 0.00 O ATOM 570 OD2 ASP A 38 0.929 -8.044 5.510 1.00 0.00 O ATOM 0 H ASP A 38 -0.495 -4.913 3.550 1.00 0.00 H new ATOM 0 HA ASP A 38 0.282 -6.669 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.422 -7.919 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.734 -6.219 3.360 1.00 0.00 H new ATOM 576 N ARG A 39 -2.515 -7.101 2.241 1.00 0.00 N ATOM 577 CA ARG A 39 -3.696 -7.959 2.168 1.00 0.00 C ATOM 578 C ARG A 39 -3.806 -8.609 0.792 1.00 0.00 C ATOM 579 O ARG A 39 -4.749 -9.344 0.513 1.00 0.00 O ATOM 580 CB ARG A 39 -4.973 -7.166 2.461 1.00 0.00 C ATOM 581 CG ARG A 39 -5.180 -6.849 3.930 1.00 0.00 C ATOM 582 CD ARG A 39 -6.511 -6.149 4.167 1.00 0.00 C ATOM 583 NE ARG A 39 -7.659 -6.948 3.714 1.00 0.00 N ATOM 584 CZ ARG A 39 -8.812 -7.035 4.380 1.00 0.00 C ATOM 585 NH1 ARG A 39 -8.934 -6.457 5.566 1.00 0.00 N ATOM 586 NH2 ARG A 39 -9.832 -7.716 3.865 1.00 0.00 N ATOM 0 H ARG A 39 -2.709 -6.106 2.132 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.584 -8.736 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.946 -6.232 1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.831 -7.732 2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.144 -7.771 4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.367 -6.216 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.620 -5.934 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.511 -5.191 3.646 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.569 -7.466 2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.148 -5.947 5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.814 -6.522 6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.734 -8.173 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.712 -7.781 4.376 1.00 0.00 H new ATOM 600 N LEU A 40 -2.853 -8.312 -0.078 1.00 0.00 N ATOM 601 CA LEU A 40 -2.818 -8.911 -1.403 1.00 0.00 C ATOM 602 C LEU A 40 -2.112 -10.264 -1.343 1.00 0.00 C ATOM 603 O LEU A 40 -2.281 -11.107 -2.220 1.00 0.00 O ATOM 604 CB LEU A 40 -2.099 -7.978 -2.379 1.00 0.00 C ATOM 605 CG LEU A 40 -2.679 -6.562 -2.471 1.00 0.00 C ATOM 606 CD1 LEU A 40 -1.851 -5.710 -3.420 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.132 -6.603 -2.925 1.00 0.00 C ATOM 0 H LEU A 40 -2.093 -7.659 0.110 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.839 -9.064 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.052 -7.907 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.121 -8.428 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.643 -6.113 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.276 -4.708 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.826 -5.650 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.857 -6.161 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.524 -5.588 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.193 -7.073 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.720 -7.178 -2.210 1.00 0.00 H new ATOM 619 N ILE A 41 -1.332 -10.453 -0.285 1.00 0.00 N ATOM 620 CA ILE A 41 -0.571 -11.682 -0.087 1.00 0.00 C ATOM 621 C ILE A 41 -1.505 -12.879 0.031 1.00 0.00 C ATOM 622 O ILE A 41 -2.392 -12.906 0.885 1.00 0.00 O ATOM 623 CB ILE A 41 0.315 -11.601 1.181 1.00 0.00 C ATOM 624 CG1 ILE A 41 1.263 -10.401 1.103 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.099 -12.894 1.377 1.00 0.00 C ATOM 626 CD1 ILE A 41 2.224 -10.455 -0.062 1.00 0.00 C ATOM 0 H ILE A 41 -1.209 -9.763 0.456 1.00 0.00 H new ATOM 0 HA ILE A 41 0.073 -11.806 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.338 -11.465 2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.672 -9.488 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.834 -10.340 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.714 -12.814 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.405 -13.727 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.739 -13.066 0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.862 -9.571 -0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.842 -11.349 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.663 -10.483 -0.996 1.00 0.00 H new ATOM 638 N GLY A 42 -1.315 -13.853 -0.845 1.00 0.00 N ATOM 639 CA GLY A 42 -2.104 -15.064 -0.785 1.00 0.00 C ATOM 640 C GLY A 42 -3.294 -15.043 -1.721 1.00 0.00 C ATOM 641 O GLY A 42 -3.940 -16.070 -1.932 1.00 0.00 O ATOM 0 H GLY A 42 -0.627 -13.826 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.470 -15.916 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.455 -15.212 0.236 1.00 0.00 H new ATOM 645 N ARG A 43 -3.592 -13.882 -2.289 1.00 0.00 N ATOM 646 CA ARG A 43 -4.733 -13.760 -3.181 1.00 0.00 C ATOM 647 C ARG A 43 -4.295 -13.770 -4.640 1.00 0.00 C ATOM 648 O ARG A 43 -3.102 -13.656 -4.947 1.00 0.00 O ATOM 649 CB ARG A 43 -5.558 -12.511 -2.853 1.00 0.00 C ATOM 650 CG ARG A 43 -6.399 -12.675 -1.594 1.00 0.00 C ATOM 651 CD ARG A 43 -7.458 -11.590 -1.467 1.00 0.00 C ATOM 652 NE ARG A 43 -6.895 -10.295 -1.095 1.00 0.00 N ATOM 653 CZ ARG A 43 -7.462 -9.126 -1.392 1.00 0.00 C ATOM 654 NH1 ARG A 43 -8.560 -9.083 -2.139 1.00 0.00 N ATOM 655 NH2 ARG A 43 -6.920 -8.004 -0.945 1.00 0.00 N ATOM 0 H ARG A 43 -3.064 -13.020 -2.149 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.373 -14.628 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.888 -11.660 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.212 -12.281 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.882 -13.652 -1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.749 -12.651 -0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.988 -11.493 -2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.193 -11.890 -0.720 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.016 -10.284 -0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.973 -9.948 -2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.990 -8.185 -2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.073 -8.038 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.349 -7.106 -1.169 1.00 0.00 H new ATOM 669 N LYS A 44 -5.264 -13.911 -5.531 1.00 0.00 N ATOM 670 CA LYS A 44 -4.992 -14.132 -6.938 1.00 0.00 C ATOM 671 C LYS A 44 -5.185 -12.858 -7.755 1.00 0.00 C ATOM 672 O LYS A 44 -5.961 -11.975 -7.388 1.00 0.00 O ATOM 673 CB LYS A 44 -5.913 -15.238 -7.468 1.00 0.00 C ATOM 674 CG LYS A 44 -5.530 -15.743 -8.848 1.00 0.00 C ATOM 675 CD LYS A 44 -6.501 -16.793 -9.362 1.00 0.00 C ATOM 676 CE LYS A 44 -6.581 -17.991 -8.431 1.00 0.00 C ATOM 677 NZ LYS A 44 -7.473 -19.054 -8.962 1.00 0.00 N ATOM 0 H LYS A 44 -6.256 -13.875 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.950 -14.435 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.901 -16.074 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.936 -14.863 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.500 -14.905 -9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.525 -16.165 -8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.491 -16.350 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.189 -17.123 -10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.582 -18.399 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.944 -17.668 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.498 -19.852 -8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.433 -18.673 -9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.113 -19.382 -9.881 1.00 0.00 H new ATOM 691 N GLY A 45 -4.467 -12.785 -8.861 1.00 0.00 N ATOM 692 CA GLY A 45 -4.594 -11.690 -9.786 1.00 0.00 C ATOM 693 C GLY A 45 -4.353 -12.156 -11.203 1.00 0.00 C ATOM 694 O GLY A 45 -3.944 -13.294 -11.425 1.00 0.00 O ATOM 0 H GLY A 45 -3.781 -13.487 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.590 -11.254 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.881 -10.906 -9.530 1.00 0.00 H new ATOM 698 N VAL A 46 -4.594 -11.286 -12.156 1.00 0.00 N ATOM 699 CA VAL A 46 -4.457 -11.632 -13.565 1.00 0.00 C ATOM 700 C VAL A 46 -3.367 -10.780 -14.212 1.00 0.00 C ATOM 701 O VAL A 46 -3.198 -9.608 -13.864 1.00 0.00 O ATOM 702 CB VAL A 46 -5.802 -11.448 -14.315 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.257 -9.995 -14.284 1.00 0.00 C ATOM 704 CG2 VAL A 46 -5.705 -11.955 -15.748 1.00 0.00 C ATOM 0 H VAL A 46 -4.889 -10.324 -11.986 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.173 -12.682 -13.634 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.552 -12.045 -13.796 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.202 -9.898 -14.818 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.390 -9.677 -13.250 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.505 -9.368 -14.762 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.662 -11.813 -16.250 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.932 -11.400 -16.279 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.452 -13.015 -15.743 1.00 0.00 H new ATOM 714 N VAL A 47 -2.624 -11.374 -15.138 1.00 0.00 N ATOM 715 CA VAL A 47 -1.547 -10.672 -15.820 1.00 0.00 C ATOM 716 C VAL A 47 -2.095 -9.867 -16.995 1.00 0.00 C ATOM 717 O VAL A 47 -2.509 -10.431 -18.011 1.00 0.00 O ATOM 718 CB VAL A 47 -0.464 -11.647 -16.331 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.708 -10.887 -16.934 1.00 0.00 C ATOM 720 CG2 VAL A 47 0.008 -12.555 -15.209 1.00 0.00 C ATOM 0 H VAL A 47 -2.749 -12.342 -15.433 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.090 -9.999 -15.094 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.905 -12.266 -17.113 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.458 -11.595 -17.287 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.358 -10.282 -17.771 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.149 -10.238 -16.177 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.771 -13.235 -15.588 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.427 -11.951 -14.404 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.835 -13.131 -14.828 1.00 0.00 H new ATOM 730 N MET A 48 -2.103 -8.547 -16.836 1.00 0.00 N ATOM 731 CA MET A 48 -2.591 -7.645 -17.875 1.00 0.00 C ATOM 732 C MET A 48 -1.442 -7.199 -18.773 1.00 0.00 C ATOM 733 O MET A 48 -1.612 -7.016 -19.976 1.00 0.00 O ATOM 734 CB MET A 48 -3.262 -6.426 -17.240 1.00 0.00 C ATOM 735 CG MET A 48 -4.466 -6.764 -16.371 1.00 0.00 C ATOM 736 SD MET A 48 -5.828 -7.507 -17.292 1.00 0.00 S ATOM 737 CE MET A 48 -6.263 -6.171 -18.407 1.00 0.00 C ATOM 0 H MET A 48 -1.775 -8.076 -15.993 1.00 0.00 H new ATOM 0 HA MET A 48 -3.323 -8.177 -18.482 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.528 -5.894 -16.635 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.577 -5.745 -18.030 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.155 -7.448 -15.582 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.820 -5.855 -15.884 1.00 0.00 H new ATOM 0 HE1 MET A 48 -7.262 -6.342 -18.807 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.246 -5.225 -17.866 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.545 -6.133 -19.227 1.00 0.00 H new ATOM 747 N GLU A 49 -0.275 -7.023 -18.174 1.00 0.00 N ATOM 748 CA GLU A 49 0.924 -6.655 -18.911 1.00 0.00 C ATOM 749 C GLU A 49 2.007 -7.698 -18.666 1.00 0.00 C ATOM 750 O GLU A 49 2.199 -8.140 -17.532 1.00 0.00 O ATOM 751 CB GLU A 49 1.402 -5.258 -18.495 1.00 0.00 C ATOM 752 CG GLU A 49 2.714 -4.826 -19.129 1.00 0.00 C ATOM 753 CD GLU A 49 2.641 -4.763 -20.640 1.00 0.00 C ATOM 754 OE1 GLU A 49 2.983 -5.768 -21.298 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.254 -3.705 -21.178 1.00 0.00 O ATOM 0 H GLU A 49 -0.132 -7.130 -17.170 1.00 0.00 H new ATOM 0 HA GLU A 49 0.699 -6.624 -19.977 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.631 -4.532 -18.754 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.511 -5.233 -17.411 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.994 -3.846 -18.742 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.500 -5.522 -18.836 1.00 0.00 H new ATOM 763 N ALA A 50 2.708 -8.074 -19.732 1.00 0.00 N ATOM 764 CA ALA A 50 3.671 -9.166 -19.684 1.00 0.00 C ATOM 765 C ALA A 50 4.812 -8.864 -18.721 1.00 0.00 C ATOM 766 O ALA A 50 5.370 -7.767 -18.724 1.00 0.00 O ATOM 767 CB ALA A 50 4.210 -9.456 -21.077 1.00 0.00 C ATOM 0 H ALA A 50 2.624 -7.632 -20.648 1.00 0.00 H new ATOM 0 HA ALA A 50 3.154 -10.051 -19.314 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.928 -10.274 -21.026 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.387 -9.736 -21.735 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.701 -8.566 -21.470 1.00 0.00 H new ATOM 773 N ILE A 51 5.151 -9.851 -17.908 1.00 0.00 N ATOM 774 CA ILE A 51 6.201 -9.701 -16.913 1.00 0.00 C ATOM 775 C ILE A 51 7.491 -10.339 -17.413 1.00 0.00 C ATOM 776 O ILE A 51 7.517 -11.532 -17.730 1.00 0.00 O ATOM 777 CB ILE A 51 5.797 -10.346 -15.567 1.00 0.00 C ATOM 778 CG1 ILE A 51 4.473 -9.751 -15.075 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.897 -10.157 -14.528 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.944 -10.398 -13.817 1.00 0.00 C ATOM 0 H ILE A 51 4.711 -10.771 -17.918 1.00 0.00 H new ATOM 0 HA ILE A 51 6.356 -8.634 -16.752 1.00 0.00 H new ATOM 0 HB ILE A 51 5.660 -11.417 -15.719 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.610 -8.685 -14.894 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.727 -9.848 -15.864 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.593 -10.618 -13.588 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.816 -10.625 -14.881 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.070 -9.092 -14.371 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.005 -9.924 -13.531 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.774 -11.459 -13.998 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.670 -10.278 -13.013 1.00 0.00 H new ATOM 792 N SER A 52 8.549 -9.548 -17.492 1.00 0.00 N ATOM 793 CA SER A 52 9.826 -10.042 -17.979 1.00 0.00 C ATOM 794 C SER A 52 10.926 -9.831 -16.944 1.00 0.00 C ATOM 795 O SER A 52 10.805 -8.989 -16.055 1.00 0.00 O ATOM 796 CB SER A 52 10.200 -9.355 -19.298 1.00 0.00 C ATOM 797 OG SER A 52 10.098 -7.944 -19.201 1.00 0.00 O ATOM 0 H SER A 52 8.549 -8.563 -17.226 1.00 0.00 H new ATOM 0 HA SER A 52 9.726 -11.113 -18.157 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.218 -9.628 -19.575 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.546 -9.713 -20.093 1.00 0.00 H new ATOM 0 HG SER A 52 9.898 -7.693 -18.275 1.00 0.00 H new ATOM 803 N PRO A 53 12.007 -10.613 -17.053 1.00 0.00 N ATOM 804 CA PRO A 53 13.179 -10.494 -16.175 1.00 0.00 C ATOM 805 C PRO A 53 13.763 -9.079 -16.153 1.00 0.00 C ATOM 806 O PRO A 53 14.246 -8.611 -15.120 1.00 0.00 O ATOM 807 CB PRO A 53 14.185 -11.474 -16.791 1.00 0.00 C ATOM 808 CG PRO A 53 13.357 -12.459 -17.539 1.00 0.00 C ATOM 809 CD PRO A 53 12.157 -11.702 -18.034 1.00 0.00 C ATOM 0 HA PRO A 53 12.926 -10.709 -15.137 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.881 -10.960 -17.454 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.781 -11.964 -16.021 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.917 -12.888 -18.370 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.058 -13.286 -16.895 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.314 -11.316 -19.041 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.270 -12.335 -18.070 1.00 0.00 H new ATOM 817 N GLN A 54 13.713 -8.402 -17.294 1.00 0.00 N ATOM 818 CA GLN A 54 14.261 -7.057 -17.406 1.00 0.00 C ATOM 819 C GLN A 54 13.246 -6.005 -16.955 1.00 0.00 C ATOM 820 O GLN A 54 13.601 -5.032 -16.290 1.00 0.00 O ATOM 821 CB GLN A 54 14.698 -6.780 -18.849 1.00 0.00 C ATOM 822 CG GLN A 54 15.385 -5.436 -19.025 1.00 0.00 C ATOM 823 CD GLN A 54 15.750 -5.142 -20.467 1.00 0.00 C ATOM 824 OE1 GLN A 54 14.950 -5.630 -21.401 1.00 0.00 O flip ATOM 825 NE2 GLN A 54 16.737 -4.462 -20.738 1.00 0.00 N flip ATOM 0 H GLN A 54 13.299 -8.762 -18.154 1.00 0.00 H new ATOM 0 HA GLN A 54 15.129 -6.994 -16.750 1.00 0.00 H new ATOM 0 HB2 GLN A 54 15.374 -7.571 -19.174 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.824 -6.821 -19.499 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.730 -4.648 -18.654 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.288 -5.413 -18.415 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.330 -4.103 -19.990 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.963 -4.256 -21.711 1.00 0.00 H new ATOM 834 N ASN A 55 11.984 -6.202 -17.310 1.00 0.00 N ATOM 835 CA ASN A 55 10.960 -5.200 -17.037 1.00 0.00 C ATOM 836 C ASN A 55 9.720 -5.837 -16.423 1.00 0.00 C ATOM 837 O ASN A 55 9.176 -6.805 -16.961 1.00 0.00 O ATOM 838 CB ASN A 55 10.603 -4.465 -18.330 1.00 0.00 C ATOM 839 CG ASN A 55 9.614 -3.337 -18.115 1.00 0.00 C ATOM 840 OD1 ASN A 55 8.406 -3.528 -18.230 1.00 0.00 O ATOM 841 ND2 ASN A 55 10.118 -2.150 -17.812 1.00 0.00 N ATOM 0 H ASN A 55 11.645 -7.039 -17.784 1.00 0.00 H new ATOM 0 HA ASN A 55 11.356 -4.485 -16.316 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.513 -4.063 -18.776 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.185 -5.176 -19.043 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.497 -1.354 -17.665 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.127 -2.032 -17.725 1.00 0.00 H new ATOM 848 N SER A 56 9.291 -5.295 -15.290 1.00 0.00 N ATOM 849 CA SER A 56 8.137 -5.815 -14.572 1.00 0.00 C ATOM 850 C SER A 56 6.846 -5.562 -15.346 1.00 0.00 C ATOM 851 O SER A 56 6.761 -4.645 -16.168 1.00 0.00 O ATOM 852 CB SER A 56 8.047 -5.169 -13.193 1.00 0.00 C ATOM 853 OG SER A 56 9.291 -5.239 -12.514 1.00 0.00 O ATOM 0 H SER A 56 9.730 -4.488 -14.846 1.00 0.00 H new ATOM 0 HA SER A 56 8.264 -6.892 -14.462 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.743 -4.127 -13.295 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.279 -5.669 -12.603 1.00 0.00 H new ATOM 0 HG SER A 56 9.528 -4.351 -12.172 1.00 0.00 H new ATOM 859 N GLY A 57 5.839 -6.368 -15.061 1.00 0.00 N ATOM 860 CA GLY A 57 4.579 -6.251 -15.757 1.00 0.00 C ATOM 861 C GLY A 57 3.496 -5.671 -14.877 1.00 0.00 C ATOM 862 O GLY A 57 3.780 -5.135 -13.803 1.00 0.00 O ATOM 0 H GLY A 57 5.872 -7.105 -14.356 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.708 -5.620 -16.636 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.269 -7.234 -16.113 1.00 0.00 H new ATOM 866 N LEU A 58 2.256 -5.806 -15.313 1.00 0.00 N ATOM 867 CA LEU A 58 1.119 -5.238 -14.597 1.00 0.00 C ATOM 868 C LEU A 58 0.066 -6.304 -14.346 1.00 0.00 C ATOM 869 O LEU A 58 -0.354 -7.005 -15.270 1.00 0.00 O ATOM 870 CB LEU A 58 0.493 -4.091 -15.395 1.00 0.00 C ATOM 871 CG LEU A 58 1.375 -2.862 -15.594 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.690 -1.861 -16.513 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.707 -2.212 -14.258 1.00 0.00 C ATOM 0 H LEU A 58 2.006 -6.307 -16.165 1.00 0.00 H new ATOM 0 HA LEU A 58 1.482 -4.853 -13.644 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.205 -4.470 -16.375 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.422 -3.780 -14.891 1.00 0.00 H new ATOM 0 HG LEU A 58 2.307 -3.183 -16.059 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.332 -0.990 -16.645 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.504 -2.325 -17.482 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.257 -1.550 -16.071 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.337 -1.338 -14.425 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.785 -1.906 -13.763 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.237 -2.926 -13.628 1.00 0.00 H new ATOM 885 N VAL A 59 -0.355 -6.425 -13.102 1.00 0.00 N ATOM 886 CA VAL A 59 -1.389 -7.375 -12.742 1.00 0.00 C ATOM 887 C VAL A 59 -2.511 -6.674 -11.997 1.00 0.00 C ATOM 888 O VAL A 59 -2.275 -5.714 -11.259 1.00 0.00 O ATOM 889 CB VAL A 59 -0.845 -8.530 -11.873 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.206 -9.326 -12.626 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.279 -8.004 -10.562 1.00 0.00 C ATOM 0 H VAL A 59 0.005 -5.875 -12.322 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.766 -7.801 -13.672 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.677 -9.195 -11.643 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.574 -10.134 -11.993 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.234 -9.746 -13.530 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.034 -8.671 -12.896 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.098 -8.837 -9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.535 -7.309 -10.770 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.063 -7.489 -10.008 1.00 0.00 H new ATOM 901 N LYS A 60 -3.731 -7.139 -12.196 1.00 0.00 N ATOM 902 CA LYS A 60 -4.865 -6.582 -11.484 1.00 0.00 C ATOM 903 C LYS A 60 -5.236 -7.501 -10.339 1.00 0.00 C ATOM 904 O LYS A 60 -5.495 -8.690 -10.542 1.00 0.00 O ATOM 905 CB LYS A 60 -6.054 -6.371 -12.428 1.00 0.00 C ATOM 906 CG LYS A 60 -7.221 -5.615 -11.798 1.00 0.00 C ATOM 907 CD LYS A 60 -8.145 -6.524 -10.993 1.00 0.00 C ATOM 908 CE LYS A 60 -8.731 -7.635 -11.855 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.647 -8.515 -11.086 1.00 0.00 N ATOM 0 H LYS A 60 -3.960 -7.896 -12.840 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.592 -5.606 -11.083 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.714 -5.825 -13.308 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.408 -7.343 -12.773 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.832 -4.831 -11.148 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.796 -5.123 -12.583 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.592 -6.961 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.953 -5.933 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.271 -7.196 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.922 -8.233 -12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.022 -9.256 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.127 -8.955 -10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.434 -7.950 -10.707 1.00 0.00 H new ATOM 923 N VAL A 61 -5.256 -6.941 -9.145 1.00 0.00 N ATOM 924 CA VAL A 61 -5.538 -7.703 -7.942 1.00 0.00 C ATOM 925 C VAL A 61 -6.590 -6.981 -7.123 1.00 0.00 C ATOM 926 O VAL A 61 -6.380 -5.834 -6.718 1.00 0.00 O ATOM 927 CB VAL A 61 -4.271 -7.909 -7.074 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.580 -8.781 -5.866 1.00 0.00 C ATOM 929 CG2 VAL A 61 -3.142 -8.520 -7.892 1.00 0.00 C ATOM 0 H VAL A 61 -5.078 -5.950 -8.981 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.898 -8.685 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.946 -6.930 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.676 -8.912 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.348 -8.302 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.938 -9.754 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.265 -8.654 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.458 -9.487 -8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.893 -7.857 -8.721 1.00 0.00 H new ATOM 939 N ASP A 62 -7.738 -7.636 -6.942 1.00 0.00 N ATOM 940 CA ASP A 62 -8.831 -7.130 -6.098 1.00 0.00 C ATOM 941 C ASP A 62 -9.596 -5.992 -6.770 1.00 0.00 C ATOM 942 O ASP A 62 -10.811 -5.872 -6.620 1.00 0.00 O ATOM 943 CB ASP A 62 -8.302 -6.686 -4.730 1.00 0.00 C ATOM 944 CG ASP A 62 -9.402 -6.256 -3.780 1.00 0.00 C ATOM 945 OD1 ASP A 62 -10.137 -7.133 -3.283 1.00 0.00 O ATOM 946 OD2 ASP A 62 -9.511 -5.043 -3.496 1.00 0.00 O ATOM 0 H ASP A 62 -7.940 -8.536 -7.377 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.531 -7.953 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.741 -7.505 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.605 -5.860 -4.867 1.00 0.00 H new ATOM 952 N GLY A 63 -8.886 -5.166 -7.517 1.00 0.00 N ATOM 953 CA GLY A 63 -9.517 -4.067 -8.213 1.00 0.00 C ATOM 954 C GLY A 63 -8.504 -3.123 -8.825 1.00 0.00 C ATOM 955 O GLY A 63 -8.775 -2.488 -9.843 1.00 0.00 O ATOM 0 H GLY A 63 -7.878 -5.237 -7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.166 -4.459 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.152 -3.516 -7.519 1.00 0.00 H new ATOM 959 N GLU A 64 -7.326 -3.056 -8.217 1.00 0.00 N ATOM 960 CA GLU A 64 -6.279 -2.150 -8.667 1.00 0.00 C ATOM 961 C GLU A 64 -5.232 -2.890 -9.486 1.00 0.00 C ATOM 962 O GLU A 64 -5.063 -4.107 -9.353 1.00 0.00 O ATOM 963 CB GLU A 64 -5.622 -1.464 -7.463 1.00 0.00 C ATOM 964 CG GLU A 64 -6.507 -0.419 -6.799 1.00 0.00 C ATOM 965 CD GLU A 64 -6.666 0.835 -7.641 1.00 0.00 C ATOM 966 OE1 GLU A 64 -7.247 0.755 -8.744 1.00 0.00 O ATOM 967 OE2 GLU A 64 -6.204 1.911 -7.210 1.00 0.00 O ATOM 0 H GLU A 64 -7.072 -3.622 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.735 -1.392 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.353 -2.221 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.695 -0.990 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.490 -0.850 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.082 -0.151 -5.832 1.00 0.00 H new ATOM 975 N THR A 65 -4.546 -2.153 -10.344 1.00 0.00 N ATOM 976 CA THR A 65 -3.489 -2.719 -11.159 1.00 0.00 C ATOM 977 C THR A 65 -2.130 -2.314 -10.599 1.00 0.00 C ATOM 978 O THR A 65 -1.813 -1.126 -10.500 1.00 0.00 O ATOM 979 CB THR A 65 -3.609 -2.258 -12.620 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.961 -2.438 -13.069 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.660 -3.040 -13.518 1.00 0.00 C ATOM 0 H THR A 65 -4.705 -1.157 -10.493 1.00 0.00 H new ATOM 0 HA THR A 65 -3.585 -3.805 -11.135 1.00 0.00 H new ATOM 0 HB THR A 65 -3.339 -1.203 -12.674 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.039 -2.143 -14.000 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.765 -2.694 -14.546 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.634 -2.885 -13.186 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.901 -4.102 -13.466 1.00 0.00 H new ATOM 989 N TRP A 66 -1.344 -3.304 -10.225 1.00 0.00 N ATOM 990 CA TRP A 66 -0.056 -3.069 -9.590 1.00 0.00 C ATOM 991 C TRP A 66 1.070 -3.600 -10.464 1.00 0.00 C ATOM 992 O TRP A 66 0.840 -4.404 -11.372 1.00 0.00 O ATOM 993 CB TRP A 66 0.000 -3.758 -8.223 1.00 0.00 C ATOM 994 CG TRP A 66 -1.136 -3.400 -7.305 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.338 -4.044 -7.196 1.00 0.00 C ATOM 996 CD2 TRP A 66 -1.175 -2.317 -6.363 1.00 0.00 C ATOM 997 NE1 TRP A 66 -3.118 -3.430 -6.243 1.00 0.00 N ATOM 998 CE2 TRP A 66 -2.427 -2.369 -5.720 1.00 0.00 C ATOM 999 CE3 TRP A 66 -0.275 -1.313 -6.001 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.798 -1.454 -4.737 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 -0.643 -0.407 -5.025 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -1.895 -0.482 -4.405 1.00 0.00 C ATOM 0 H TRP A 66 -1.575 -4.290 -10.350 1.00 0.00 H new ATOM 0 HA TRP A 66 0.065 -1.994 -9.457 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.005 -4.838 -8.373 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.941 -3.499 -7.737 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.632 -4.908 -7.773 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.058 -3.718 -5.970 1.00 0.00 H new ATOM 0 HE3 TRP A 66 0.693 -1.246 -6.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -3.763 -1.510 -4.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 0.047 0.372 -4.736 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -2.154 0.243 -3.648 1.00 0.00 H new ATOM 1013 N ARG A 67 2.289 -3.151 -10.195 1.00 0.00 N ATOM 1014 CA ARG A 67 3.448 -3.672 -10.896 1.00 0.00 C ATOM 1015 C ARG A 67 3.864 -4.987 -10.275 1.00 0.00 C ATOM 1016 O ARG A 67 3.962 -5.113 -9.054 1.00 0.00 O ATOM 1017 CB ARG A 67 4.626 -2.697 -10.871 1.00 0.00 C ATOM 1018 CG ARG A 67 4.463 -1.497 -11.789 1.00 0.00 C ATOM 1019 CD ARG A 67 3.371 -0.568 -11.300 1.00 0.00 C ATOM 1020 NE ARG A 67 3.283 0.654 -12.098 1.00 0.00 N ATOM 1021 CZ ARG A 67 3.198 1.881 -11.589 1.00 0.00 C ATOM 1022 NH1 ARG A 67 3.351 2.078 -10.291 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.997 2.916 -12.388 1.00 0.00 N ATOM 0 H ARG A 67 2.497 -2.433 -9.501 1.00 0.00 H new ATOM 0 HA ARG A 67 3.165 -3.818 -11.939 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.768 -2.342 -9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.533 -3.233 -11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.405 -0.953 -11.849 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.227 -1.838 -12.797 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.414 -1.089 -11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.559 -0.306 -10.259 1.00 0.00 H new ATOM 0 HE ARG A 67 3.287 0.560 -13.114 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.535 1.287 -9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.285 3.021 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.907 2.774 -13.394 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.932 3.856 -11.998 1.00 0.00 H new ATOM 1037 N ALA A 68 4.120 -5.953 -11.118 1.00 0.00 N ATOM 1038 CA ALA A 68 4.431 -7.293 -10.656 1.00 0.00 C ATOM 1039 C ALA A 68 5.725 -7.799 -11.261 1.00 0.00 C ATOM 1040 O ALA A 68 6.017 -7.556 -12.431 1.00 0.00 O ATOM 1041 CB ALA A 68 3.296 -8.245 -10.980 1.00 0.00 C ATOM 0 H ALA A 68 4.121 -5.843 -12.132 1.00 0.00 H new ATOM 0 HA ALA A 68 4.557 -7.249 -9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.547 -9.245 -10.626 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.384 -7.905 -10.489 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.139 -8.271 -12.058 1.00 0.00 H new ATOM 1047 N THR A 69 6.493 -8.502 -10.449 1.00 0.00 N ATOM 1048 CA THR A 69 7.748 -9.082 -10.886 1.00 0.00 C ATOM 1049 C THR A 69 7.857 -10.517 -10.381 1.00 0.00 C ATOM 1050 O THR A 69 7.145 -10.910 -9.452 1.00 0.00 O ATOM 1051 CB THR A 69 8.944 -8.266 -10.358 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.575 -6.884 -10.259 1.00 0.00 O ATOM 1053 CG2 THR A 69 10.149 -8.390 -11.277 1.00 0.00 C ATOM 0 H THR A 69 6.265 -8.686 -9.472 1.00 0.00 H new ATOM 0 HA THR A 69 7.768 -9.069 -11.976 1.00 0.00 H new ATOM 0 HB THR A 69 9.213 -8.660 -9.378 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.903 -6.401 -11.046 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.975 -7.803 -10.876 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.448 -9.436 -11.346 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.890 -8.020 -12.269 1.00 0.00 H new ATOM 1061 N SER A 70 8.734 -11.287 -10.997 1.00 0.00 N ATOM 1062 CA SER A 70 8.941 -12.671 -10.621 1.00 0.00 C ATOM 1063 C SER A 70 10.218 -13.197 -11.260 1.00 0.00 C ATOM 1064 O SER A 70 10.965 -12.440 -11.887 1.00 0.00 O ATOM 1065 CB SER A 70 7.741 -13.515 -11.056 1.00 0.00 C ATOM 1066 OG SER A 70 7.490 -13.373 -12.445 1.00 0.00 O ATOM 0 H SER A 70 9.321 -10.971 -11.769 1.00 0.00 H new ATOM 0 HA SER A 70 9.040 -12.736 -9.537 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.927 -14.563 -10.823 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.858 -13.215 -10.492 1.00 0.00 H new ATOM 0 HG SER A 70 6.720 -13.924 -12.696 1.00 0.00 H new ATOM 1072 N GLY A 71 10.473 -14.485 -11.092 1.00 0.00 N ATOM 1073 CA GLY A 71 11.617 -15.098 -11.728 1.00 0.00 C ATOM 1074 C GLY A 71 11.230 -15.785 -13.019 1.00 0.00 C ATOM 1075 O GLY A 71 12.068 -16.390 -13.688 1.00 0.00 O ATOM 0 H GLY A 71 9.907 -15.117 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.372 -14.339 -11.931 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.067 -15.823 -11.050 1.00 0.00 H new ATOM 1079 N THR A 72 9.956 -15.678 -13.372 1.00 0.00 N ATOM 1080 CA THR A 72 9.425 -16.345 -14.546 1.00 0.00 C ATOM 1081 C THR A 72 9.004 -15.324 -15.600 1.00 0.00 C ATOM 1082 O THR A 72 8.919 -14.129 -15.319 1.00 0.00 O ATOM 1083 CB THR A 72 8.202 -17.202 -14.177 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.297 -17.621 -12.809 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.101 -18.425 -15.086 1.00 0.00 C ATOM 0 H THR A 72 9.269 -15.130 -12.855 1.00 0.00 H new ATOM 0 HA THR A 72 10.212 -16.983 -14.947 1.00 0.00 H new ATOM 0 HB THR A 72 7.305 -16.597 -14.311 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.515 -18.165 -12.578 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.229 -19.016 -14.806 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.002 -18.101 -16.122 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.000 -19.033 -14.980 1.00 0.00 H new ATOM 1093 N VAL A 73 8.743 -15.800 -16.804 1.00 0.00 N ATOM 1094 CA VAL A 73 8.225 -14.954 -17.861 1.00 0.00 C ATOM 1095 C VAL A 73 6.719 -15.146 -17.955 1.00 0.00 C ATOM 1096 O VAL A 73 6.243 -16.159 -18.469 1.00 0.00 O ATOM 1097 CB VAL A 73 8.878 -15.270 -19.226 1.00 0.00 C ATOM 1098 CG1 VAL A 73 8.372 -14.318 -20.303 1.00 0.00 C ATOM 1099 CG2 VAL A 73 10.396 -15.212 -19.119 1.00 0.00 C ATOM 0 H VAL A 73 8.883 -16.774 -17.074 1.00 0.00 H new ATOM 0 HA VAL A 73 8.463 -13.919 -17.617 1.00 0.00 H new ATOM 0 HB VAL A 73 8.595 -16.283 -19.514 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.846 -14.560 -21.254 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.291 -14.419 -20.400 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.617 -13.293 -20.026 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.838 -15.437 -20.090 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.701 -14.214 -18.804 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.737 -15.943 -18.386 1.00 0.00 H new ATOM 1109 N LEU A 74 5.974 -14.193 -17.424 1.00 0.00 N ATOM 1110 CA LEU A 74 4.524 -14.314 -17.354 1.00 0.00 C ATOM 1111 C LEU A 74 3.868 -13.526 -18.478 1.00 0.00 C ATOM 1112 O LEU A 74 4.185 -12.355 -18.692 1.00 0.00 O ATOM 1113 CB LEU A 74 4.023 -13.826 -15.995 1.00 0.00 C ATOM 1114 CG LEU A 74 4.622 -14.560 -14.791 1.00 0.00 C ATOM 1115 CD1 LEU A 74 4.101 -13.977 -13.488 1.00 0.00 C ATOM 1116 CD2 LEU A 74 4.318 -16.050 -14.868 1.00 0.00 C ATOM 0 H LEU A 74 6.346 -13.327 -17.035 1.00 0.00 H new ATOM 0 HA LEU A 74 4.254 -15.364 -17.471 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.244 -12.763 -15.902 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.938 -13.930 -15.964 1.00 0.00 H new ATOM 0 HG LEU A 74 5.703 -14.426 -14.815 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.540 -14.514 -12.648 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.372 -12.923 -13.427 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.016 -14.075 -13.454 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.751 -16.555 -14.005 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.239 -16.201 -14.873 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.746 -16.462 -15.782 1.00 0.00 H new ATOM 1128 N ASP A 75 2.950 -14.167 -19.188 1.00 0.00 N ATOM 1129 CA ASP A 75 2.323 -13.550 -20.350 1.00 0.00 C ATOM 1130 C ASP A 75 0.908 -13.095 -20.015 1.00 0.00 C ATOM 1131 O ASP A 75 0.377 -13.406 -18.948 1.00 0.00 O ATOM 1132 CB ASP A 75 2.306 -14.525 -21.532 1.00 0.00 C ATOM 1133 CG ASP A 75 1.972 -13.863 -22.854 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.892 -14.146 -23.406 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.782 -13.048 -23.342 1.00 0.00 O ATOM 0 H ASP A 75 2.623 -15.111 -18.981 1.00 0.00 H new ATOM 0 HA ASP A 75 2.909 -12.675 -20.633 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.281 -15.006 -21.611 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.578 -15.312 -21.334 1.00 0.00 H new ATOM 1141 N VAL A 76 0.304 -12.385 -20.946 1.00 0.00 N ATOM 1142 CA VAL A 76 -0.989 -11.753 -20.727 1.00 0.00 C ATOM 1143 C VAL A 76 -2.120 -12.769 -20.809 1.00 0.00 C ATOM 1144 O VAL A 76 -2.305 -13.432 -21.831 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.244 -10.628 -21.754 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -2.577 -9.940 -21.489 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.106 -9.619 -21.739 1.00 0.00 C ATOM 0 H VAL A 76 0.692 -12.228 -21.876 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.966 -11.323 -19.726 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.289 -11.079 -22.745 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.733 -9.152 -22.226 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.384 -10.669 -21.562 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.570 -9.506 -20.489 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.305 -8.835 -22.470 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.024 -9.177 -20.746 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.828 -10.121 -21.991 1.00 0.00 H new ATOM 1157 N GLY A 77 -2.880 -12.877 -19.731 1.00 0.00 N ATOM 1158 CA GLY A 77 -3.997 -13.794 -19.701 1.00 0.00 C ATOM 1159 C GLY A 77 -3.887 -14.812 -18.587 1.00 0.00 C ATOM 1160 O GLY A 77 -4.890 -15.393 -18.177 1.00 0.00 O ATOM 0 H GLY A 77 -2.742 -12.343 -18.873 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.922 -13.230 -19.582 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.061 -14.313 -20.657 1.00 0.00 H new ATOM 1164 N GLU A 78 -2.675 -15.025 -18.090 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.453 -15.981 -17.028 1.00 0.00 C ATOM 1166 C GLU A 78 -2.862 -15.419 -15.676 1.00 0.00 C ATOM 1167 O GLU A 78 -3.052 -14.208 -15.516 1.00 0.00 O ATOM 1168 CB GLU A 78 -0.989 -16.384 -16.998 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.613 -17.379 -18.073 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.427 -18.659 -18.016 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -2.304 -18.849 -18.883 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.193 -19.486 -17.102 1.00 0.00 O ATOM 0 H GLU A 78 -1.834 -14.545 -18.410 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.072 -16.856 -17.228 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.373 -15.492 -17.109 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.758 -16.811 -16.022 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.746 -16.915 -19.050 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.445 -17.624 -17.978 1.00 0.00 H new ATOM 1180 N GLU A 79 -2.973 -16.312 -14.708 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.398 -15.957 -13.363 1.00 0.00 C ATOM 1182 C GLU A 79 -2.271 -16.199 -12.371 1.00 0.00 C ATOM 1183 O GLU A 79 -1.634 -17.255 -12.380 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.629 -16.772 -12.977 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.791 -16.577 -13.936 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.989 -17.432 -13.595 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.199 -18.463 -14.268 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.736 -17.073 -12.660 1.00 0.00 O ATOM 0 H GLU A 79 -2.771 -17.304 -14.831 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.654 -14.898 -13.341 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.364 -17.829 -12.946 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.943 -16.492 -11.972 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.087 -15.528 -13.930 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.462 -16.810 -14.949 1.00 0.00 H new ATOM 1196 N VAL A 80 -2.024 -15.223 -11.517 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.933 -15.321 -10.561 1.00 0.00 C ATOM 1198 C VAL A 80 -1.425 -15.084 -9.146 1.00 0.00 C ATOM 1199 O VAL A 80 -2.477 -14.492 -8.937 1.00 0.00 O ATOM 1200 CB VAL A 80 0.189 -14.310 -10.881 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.857 -14.649 -12.203 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.355 -12.888 -10.912 1.00 0.00 C ATOM 0 H VAL A 80 -2.560 -14.357 -11.464 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.533 -16.332 -10.639 1.00 0.00 H new ATOM 0 HB VAL A 80 0.936 -14.375 -10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.644 -13.924 -12.409 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.289 -15.648 -12.147 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.117 -14.618 -13.003 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.454 -12.194 -11.139 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.126 -12.810 -11.678 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.783 -12.641 -9.940 1.00 0.00 H new ATOM 1212 N SER A 81 -0.670 -15.567 -8.178 1.00 0.00 N ATOM 1213 CA SER A 81 -0.971 -15.303 -6.781 1.00 0.00 C ATOM 1214 C SER A 81 0.206 -14.596 -6.123 1.00 0.00 C ATOM 1215 O SER A 81 1.365 -14.936 -6.378 1.00 0.00 O ATOM 1216 CB SER A 81 -1.312 -16.601 -6.051 1.00 0.00 C ATOM 1217 OG SER A 81 -2.465 -17.199 -6.619 1.00 0.00 O ATOM 0 H SER A 81 0.157 -16.144 -8.332 1.00 0.00 H new ATOM 0 HA SER A 81 -1.842 -14.651 -6.722 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.470 -17.291 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.483 -16.397 -4.994 1.00 0.00 H new ATOM 0 HG SER A 81 -2.606 -18.082 -6.219 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.103 -13.603 -5.302 1.00 0.00 N ATOM 1224 CA VAL A 82 0.919 -12.767 -4.682 1.00 0.00 C ATOM 1225 C VAL A 82 1.679 -13.540 -3.611 1.00 0.00 C ATOM 1226 O VAL A 82 1.088 -14.050 -2.656 1.00 0.00 O ATOM 1227 CB VAL A 82 0.309 -11.492 -4.063 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.408 -10.575 -3.546 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.550 -10.768 -5.084 1.00 0.00 C ATOM 0 H VAL A 82 -1.059 -13.354 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 82 1.612 -12.472 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.322 -11.782 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.961 -9.680 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.988 -11.096 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.062 -10.291 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.973 -9.871 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.062 -10.489 -5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.356 -11.424 -5.412 1.00 0.00 H new ATOM 1239 N LYS A 83 2.989 -13.622 -3.791 1.00 0.00 N ATOM 1240 CA LYS A 83 3.859 -14.349 -2.882 1.00 0.00 C ATOM 1241 C LYS A 83 4.466 -13.392 -1.859 1.00 0.00 C ATOM 1242 O LYS A 83 4.507 -13.690 -0.667 1.00 0.00 O ATOM 1243 CB LYS A 83 4.968 -15.036 -3.666 1.00 0.00 C ATOM 1244 CG LYS A 83 5.659 -16.141 -2.895 1.00 0.00 C ATOM 1245 CD LYS A 83 6.964 -16.507 -3.558 1.00 0.00 C ATOM 1246 CE LYS A 83 7.599 -17.742 -2.939 1.00 0.00 C ATOM 1247 NZ LYS A 83 6.889 -18.988 -3.332 1.00 0.00 N ATOM 0 H LYS A 83 3.478 -13.186 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 83 3.271 -15.102 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.550 -15.451 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.708 -14.292 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.842 -15.819 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.012 -17.017 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.793 -16.683 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.656 -15.668 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.643 -17.807 -3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.592 -17.648 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.167 -19.762 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.862 -18.838 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.141 -19.237 -4.310 1.00 0.00 H new ATOM 1261 N ALA A 84 4.927 -12.237 -2.334 1.00 0.00 N ATOM 1262 CA ALA A 84 5.571 -11.253 -1.471 1.00 0.00 C ATOM 1263 C ALA A 84 5.495 -9.856 -2.084 1.00 0.00 C ATOM 1264 O ALA A 84 4.918 -9.667 -3.155 1.00 0.00 O ATOM 1265 CB ALA A 84 7.023 -11.639 -1.211 1.00 0.00 C ATOM 0 H ALA A 84 4.866 -11.960 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 84 5.038 -11.238 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.488 -10.894 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.059 -12.614 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.562 -11.686 -2.157 1.00 0.00 H new ATOM 1271 N ILE A 85 6.083 -8.882 -1.397 1.00 0.00 N ATOM 1272 CA ILE A 85 6.091 -7.499 -1.862 1.00 0.00 C ATOM 1273 C ILE A 85 7.517 -6.959 -1.854 1.00 0.00 C ATOM 1274 O ILE A 85 8.234 -7.122 -0.868 1.00 0.00 O ATOM 1275 CB ILE A 85 5.212 -6.594 -0.969 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.805 -7.186 -0.830 1.00 0.00 C ATOM 1277 CG2 ILE A 85 5.144 -5.181 -1.540 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.875 -6.367 0.042 1.00 0.00 C ATOM 0 H ILE A 85 6.564 -9.027 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 85 5.686 -7.490 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 85 5.665 -6.542 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.364 -7.284 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.884 -8.191 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.521 -4.559 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.148 -4.760 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.714 -5.213 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.900 -6.852 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.292 -6.290 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.763 -5.369 -0.382 1.00 0.00 H new ATOM 1290 N GLU A 86 7.919 -6.314 -2.938 1.00 0.00 N ATOM 1291 CA GLU A 86 9.269 -5.780 -3.050 1.00 0.00 C ATOM 1292 C GLU A 86 9.209 -4.310 -3.454 1.00 0.00 C ATOM 1293 O GLU A 86 9.097 -3.981 -4.641 1.00 0.00 O ATOM 1294 CB GLU A 86 10.078 -6.593 -4.073 1.00 0.00 C ATOM 1295 CG GLU A 86 11.592 -6.524 -3.891 1.00 0.00 C ATOM 1296 CD GLU A 86 12.170 -5.153 -4.179 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.372 -4.822 -5.368 1.00 0.00 O ATOM 1298 OE2 GLU A 86 12.437 -4.400 -3.221 1.00 0.00 O ATOM 0 H GLU A 86 7.330 -6.147 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 86 9.767 -5.857 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.766 -7.636 -4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.830 -6.241 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.841 -6.808 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.063 -7.255 -4.548 1.00 0.00 H new ATOM 1306 N GLY A 87 9.256 -3.433 -2.461 1.00 0.00 N ATOM 1307 CA GLY A 87 9.198 -2.008 -2.719 1.00 0.00 C ATOM 1308 C GLY A 87 7.810 -1.554 -3.105 1.00 0.00 C ATOM 1309 O GLY A 87 6.908 -1.487 -2.265 1.00 0.00 O ATOM 0 H GLY A 87 9.334 -3.685 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.522 -1.466 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.896 -1.756 -3.518 1.00 0.00 H new ATOM 1313 N VAL A 88 7.648 -1.231 -4.374 1.00 0.00 N ATOM 1314 CA VAL A 88 6.353 -0.853 -4.916 1.00 0.00 C ATOM 1315 C VAL A 88 5.893 -1.920 -5.907 1.00 0.00 C ATOM 1316 O VAL A 88 4.864 -1.787 -6.571 1.00 0.00 O ATOM 1317 CB VAL A 88 6.402 0.522 -5.623 1.00 0.00 C ATOM 1318 CG1 VAL A 88 4.999 1.092 -5.809 1.00 0.00 C ATOM 1319 CG2 VAL A 88 7.276 1.500 -4.850 1.00 0.00 C ATOM 0 H VAL A 88 8.405 -1.223 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 88 5.650 -0.774 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 88 6.843 0.373 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.062 2.059 -6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.406 0.408 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.525 1.217 -4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.294 2.459 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.871 1.636 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.290 1.106 -4.781 1.00 0.00 H new ATOM 1329 N LYS A 89 6.678 -2.983 -6.010 1.00 0.00 N ATOM 1330 CA LYS A 89 6.359 -4.087 -6.902 1.00 0.00 C ATOM 1331 C LYS A 89 5.872 -5.284 -6.102 1.00 0.00 C ATOM 1332 O LYS A 89 6.238 -5.460 -4.941 1.00 0.00 O ATOM 1333 CB LYS A 89 7.585 -4.506 -7.712 1.00 0.00 C ATOM 1334 CG LYS A 89 8.226 -3.381 -8.502 1.00 0.00 C ATOM 1335 CD LYS A 89 9.471 -3.861 -9.233 1.00 0.00 C ATOM 1336 CE LYS A 89 10.461 -4.522 -8.281 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.962 -3.577 -7.245 1.00 0.00 N ATOM 0 H LYS A 89 7.544 -3.104 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 89 5.577 -3.749 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.327 -4.927 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.297 -5.300 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.509 -2.984 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.488 -2.564 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.186 -4.569 -10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.950 -3.017 -9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.982 -5.372 -7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.304 -4.914 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.804 -3.979 -6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.210 -2.671 -7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.222 -3.419 -6.532 1.00 0.00 H new ATOM 1351 N LEU A 90 5.055 -6.110 -6.727 1.00 0.00 N ATOM 1352 CA LEU A 90 4.592 -7.332 -6.094 1.00 0.00 C ATOM 1353 C LEU A 90 5.347 -8.521 -6.662 1.00 0.00 C ATOM 1354 O LEU A 90 5.693 -8.541 -7.843 1.00 0.00 O ATOM 1355 CB LEU A 90 3.090 -7.528 -6.305 1.00 0.00 C ATOM 1356 CG LEU A 90 2.197 -6.379 -5.835 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.735 -6.700 -6.121 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.402 -6.107 -4.349 1.00 0.00 C ATOM 0 H LEU A 90 4.698 -5.959 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 90 4.780 -7.254 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.910 -7.692 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.785 -8.436 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 90 2.474 -5.480 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.108 -5.875 -5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.597 -6.844 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.452 -7.611 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.757 -5.286 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.153 -7.001 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.443 -5.839 -4.168 1.00 0.00 H new ATOM 1370 N VAL A 91 5.609 -9.493 -5.818 1.00 0.00 N ATOM 1371 CA VAL A 91 6.258 -10.720 -6.242 1.00 0.00 C ATOM 1372 C VAL A 91 5.203 -11.802 -6.379 1.00 0.00 C ATOM 1373 O VAL A 91 4.606 -12.225 -5.388 1.00 0.00 O ATOM 1374 CB VAL A 91 7.341 -11.173 -5.240 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.036 -12.429 -5.736 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.350 -10.057 -5.003 1.00 0.00 C ATOM 0 H VAL A 91 5.381 -9.460 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 91 6.752 -10.539 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 91 6.857 -11.404 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.796 -12.733 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.304 -13.229 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.507 -12.228 -6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.106 -10.394 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.829 -9.793 -5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.838 -9.183 -4.599 1.00 0.00 H new ATOM 1386 N VAL A 92 4.947 -12.222 -7.605 1.00 0.00 N ATOM 1387 CA VAL A 92 3.872 -13.164 -7.872 1.00 0.00 C ATOM 1388 C VAL A 92 4.392 -14.416 -8.560 1.00 0.00 C ATOM 1389 O VAL A 92 5.458 -14.395 -9.173 1.00 0.00 O ATOM 1390 CB VAL A 92 2.767 -12.526 -8.750 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.085 -11.382 -8.009 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.333 -12.051 -10.085 1.00 0.00 C ATOM 0 H VAL A 92 5.467 -11.927 -8.431 1.00 0.00 H new ATOM 0 HA VAL A 92 3.447 -13.437 -6.906 1.00 0.00 H new ATOM 0 HB VAL A 92 2.018 -13.290 -8.959 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.312 -10.947 -8.643 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.632 -11.761 -7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.822 -10.619 -7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.536 -11.607 -10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.110 -11.307 -9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.759 -12.899 -10.622 1.00 0.00 H new ATOM 1402 N GLU A 93 3.640 -15.500 -8.440 1.00 0.00 N ATOM 1403 CA GLU A 93 3.967 -16.735 -9.136 1.00 0.00 C ATOM 1404 C GLU A 93 2.765 -17.159 -9.952 1.00 0.00 C ATOM 1405 O GLU A 93 1.631 -16.828 -9.600 1.00 0.00 O ATOM 1406 CB GLU A 93 4.335 -17.859 -8.164 1.00 0.00 C ATOM 1407 CG GLU A 93 5.366 -17.475 -7.118 1.00 0.00 C ATOM 1408 CD GLU A 93 5.716 -18.629 -6.201 1.00 0.00 C ATOM 1409 OE1 GLU A 93 4.792 -19.230 -5.615 1.00 0.00 O ATOM 1410 OE2 GLU A 93 6.918 -18.935 -6.039 1.00 0.00 O ATOM 0 H GLU A 93 2.798 -15.549 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 93 4.832 -16.551 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.430 -18.195 -7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.714 -18.706 -8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.270 -17.122 -7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.985 -16.645 -6.523 1.00 0.00 H new ATOM 1418 N LYS A 94 3.001 -17.888 -11.025 1.00 0.00 N ATOM 1419 CA LYS A 94 1.908 -18.324 -11.877 1.00 0.00 C ATOM 1420 C LYS A 94 1.194 -19.494 -11.231 1.00 0.00 C ATOM 1421 O LYS A 94 1.835 -20.434 -10.756 1.00 0.00 O ATOM 1422 CB LYS A 94 2.405 -18.730 -13.264 1.00 0.00 C ATOM 1423 CG LYS A 94 1.288 -18.828 -14.295 1.00 0.00 C ATOM 1424 CD LYS A 94 1.758 -19.485 -15.585 1.00 0.00 C ATOM 1425 CE LYS A 94 1.568 -20.998 -15.553 1.00 0.00 C ATOM 1426 NZ LYS A 94 0.129 -21.371 -15.467 1.00 0.00 N ATOM 0 H LYS A 94 3.928 -18.189 -11.327 1.00 0.00 H new ATOM 0 HA LYS A 94 1.220 -17.487 -11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.143 -18.005 -13.605 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.912 -19.692 -13.194 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.459 -19.400 -13.878 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.908 -17.830 -14.514 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.206 -19.067 -16.427 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.811 -19.254 -15.748 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.005 -21.439 -16.449 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.103 -21.414 -14.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.015 -22.374 -15.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.213 -21.215 -14.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.422 -20.785 -16.127 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.123 -19.422 -11.193 1.00 0.00 N ATOM 1441 CA LEU A 95 -0.920 -20.525 -10.693 1.00 0.00 C ATOM 1442 C LEU A 95 -0.799 -21.696 -11.653 1.00 0.00 C ATOM 1443 O LEU A 95 -0.688 -21.507 -12.864 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.379 -20.097 -10.533 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.038 -20.471 -9.202 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -3.351 -21.957 -9.144 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -2.153 -20.072 -8.031 1.00 0.00 C ATOM 0 H LEU A 95 -0.662 -18.613 -11.502 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.555 -20.829 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.437 -19.015 -10.655 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.959 -20.540 -11.342 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.977 -19.922 -9.131 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.818 -22.193 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.032 -22.217 -9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.428 -22.528 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.641 -20.347 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.196 -20.588 -8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.987 -18.995 -8.051 1.00 0.00 H new ATOM 1459 N GLU A 96 -0.797 -22.891 -11.109 1.00 0.00 N ATOM 1460 CA GLU A 96 -0.549 -24.077 -11.906 1.00 0.00 C ATOM 1461 C GLU A 96 -1.852 -24.763 -12.310 1.00 0.00 C ATOM 1462 O GLU A 96 -2.935 -24.379 -11.870 1.00 0.00 O ATOM 1463 CB GLU A 96 0.411 -25.034 -11.176 1.00 0.00 C ATOM 1464 CG GLU A 96 0.118 -25.220 -9.691 1.00 0.00 C ATOM 1465 CD GLU A 96 -1.031 -26.167 -9.429 1.00 0.00 C ATOM 1466 OE1 GLU A 96 -0.815 -27.392 -9.492 1.00 0.00 O ATOM 1467 OE2 GLU A 96 -2.150 -25.695 -9.160 1.00 0.00 O ATOM 0 H GLU A 96 -0.964 -23.071 -10.119 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.061 -23.769 -12.831 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.373 -26.008 -11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.429 -24.661 -11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.012 -25.597 -9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.109 -24.251 -9.247 1.00 0.00 H new ATOM 1475 N GLU A 97 -1.732 -25.763 -13.167 1.00 0.00 N ATOM 1476 CA GLU A 97 -2.874 -26.436 -13.766 1.00 0.00 C ATOM 1477 C GLU A 97 -3.262 -27.679 -12.971 1.00 0.00 C ATOM 1478 O GLU A 97 -3.941 -28.568 -13.492 1.00 0.00 O ATOM 1479 CB GLU A 97 -2.559 -26.820 -15.216 1.00 0.00 C ATOM 1480 CG GLU A 97 -2.246 -25.635 -16.130 1.00 0.00 C ATOM 1481 CD GLU A 97 -0.877 -25.029 -15.879 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -0.806 -23.885 -15.375 1.00 0.00 O ATOM 1483 OE2 GLU A 97 0.132 -25.703 -16.171 1.00 0.00 O ATOM 0 H GLU A 97 -0.832 -26.134 -13.470 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.717 -25.746 -13.751 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.709 -27.502 -15.222 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.408 -27.366 -15.627 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.307 -25.960 -17.169 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.007 -24.867 -15.991 1.00 0.00 H new ATOM 1491 N GLN A 98 -2.813 -27.730 -11.718 1.00 0.00 N ATOM 1492 CA GLN A 98 -2.967 -28.902 -10.854 1.00 0.00 C ATOM 1493 C GLN A 98 -1.977 -29.982 -11.265 1.00 0.00 C ATOM 1494 O GLN A 98 -2.353 -31.014 -11.829 1.00 0.00 O ATOM 1495 CB GLN A 98 -4.406 -29.440 -10.847 1.00 0.00 C ATOM 1496 CG GLN A 98 -5.409 -28.466 -10.253 1.00 0.00 C ATOM 1497 CD GLN A 98 -6.842 -28.967 -10.324 1.00 0.00 C ATOM 1498 OE1 GLN A 98 -7.159 -29.737 -11.354 1.00 0.00 O flip ATOM 1499 NE2 GLN A 98 -7.661 -28.653 -9.460 1.00 0.00 N flip ATOM 0 H GLN A 98 -2.328 -26.953 -11.269 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.751 -28.592 -9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.702 -29.678 -11.869 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.436 -30.371 -10.281 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.148 -28.276 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.337 -27.514 -10.779 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.378 -28.058 -8.681 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -8.622 -28.988 -9.523 1.00 0.00 H new ATOM 1508 N LYS A 99 -0.703 -29.687 -10.994 1.00 0.00 N ATOM 1509 CA LYS A 99 0.433 -30.556 -11.308 1.00 0.00 C ATOM 1510 C LYS A 99 0.560 -30.814 -12.810 1.00 0.00 C ATOM 1511 O LYS A 99 1.379 -30.191 -13.482 1.00 0.00 O ATOM 1512 CB LYS A 99 0.355 -31.880 -10.541 1.00 0.00 C ATOM 1513 CG LYS A 99 1.585 -32.755 -10.729 1.00 0.00 C ATOM 1514 CD LYS A 99 1.522 -34.006 -9.874 1.00 0.00 C ATOM 1515 CE LYS A 99 2.781 -34.842 -10.038 1.00 0.00 C ATOM 1516 NZ LYS A 99 2.801 -36.012 -9.126 1.00 0.00 N ATOM 0 H LYS A 99 -0.427 -28.817 -10.539 1.00 0.00 H new ATOM 0 HA LYS A 99 1.330 -30.026 -10.986 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.225 -31.670 -9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.528 -32.430 -10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.674 -33.036 -11.778 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.479 -32.185 -10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.399 -33.729 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.650 -34.597 -10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.854 -35.187 -11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.655 -34.220 -9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.677 -36.552 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.758 -35.684 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.982 -36.621 -9.325 1.00 0.00 H new ATOM 1530 N GLY A 100 -0.248 -31.729 -13.324 1.00 0.00 N ATOM 1531 CA GLY A 100 -0.186 -32.075 -14.726 1.00 0.00 C ATOM 1532 C GLY A 100 -1.524 -32.553 -15.236 1.00 0.00 C ATOM 1533 O GLY A 100 -1.606 -33.540 -15.962 1.00 0.00 O ATOM 0 H GLY A 100 -0.950 -32.241 -12.789 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.136 -31.208 -15.302 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.562 -32.853 -14.877 1.00 0.00 H new ATOM 1537 N SER A 101 -2.578 -31.861 -14.836 1.00 0.00 N ATOM 1538 CA SER A 101 -3.922 -32.210 -15.258 1.00 0.00 C ATOM 1539 C SER A 101 -4.205 -31.645 -16.648 1.00 0.00 C ATOM 1540 O SER A 101 -4.287 -30.407 -16.787 1.00 0.00 O ATOM 1541 CB SER A 101 -4.941 -31.693 -14.245 1.00 0.00 C ATOM 1542 OG SER A 101 -4.650 -32.179 -12.940 1.00 0.00 O ATOM 1543 OXT SER A 101 -4.325 -32.441 -17.603 1.00 0.00 O ATOM 0 H SER A 101 -2.527 -31.052 -14.217 1.00 0.00 H new ATOM 0 HA SER A 101 -4.006 -33.296 -15.308 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.935 -30.603 -14.241 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.943 -32.006 -14.539 1.00 0.00 H new ATOM 0 HG SER A 101 -3.850 -31.731 -12.595 1.00 0.00 H new TER 1549 SER A 101