USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 319 hydrogens (2 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 30 ASN : amide:sc= 0.248 K(o=0.5,f=-1.7) USER MOD Set 1.2: A 33 LYS NZ :NH3+ 143:sc= 0.256 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -103:sc= 0.0681 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00894) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 80:sc= 0.758 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 49:sc= 1.26 USER MOD Single : A 21 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.3!) USER MOD Single : A 22 MET CE :methyl 177:sc= 0 (180deg=-0.0166) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -138:sc= 1.25 (180deg=-0.433) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.367) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -32.720 -64.066 25.825 1.00 2.23 N ATOM 2 CA LYS A 1 -31.664 -63.219 26.455 1.00 2.86 C ATOM 3 C LYS A 1 -31.351 -61.986 25.600 1.00 2.04 C ATOM 4 O LYS A 1 -31.699 -61.926 24.410 1.00 1.52 O ATOM 5 CB LYS A 1 -30.530 -64.089 26.804 1.00 2.67 C ATOM 6 CG LYS A 1 -29.642 -64.671 25.665 1.00 2.46 C ATOM 7 CD LYS A 1 -28.522 -65.607 26.086 1.00 2.44 C ATOM 8 CE LYS A 1 -27.349 -65.813 25.100 1.00 2.80 C ATOM 9 NZ LYS A 1 -26.579 -66.990 25.550 1.00 2.13 N1+ ATOM 0 H1 LYS A 1 -33.626 -63.911 26.312 1.00 2.23 H new ATOM 0 H2 LYS A 1 -32.818 -63.810 24.822 1.00 2.23 H new ATOM 0 H3 LYS A 1 -32.453 -65.068 25.902 1.00 2.23 H new ATOM 0 HA LYS A 1 -32.001 -62.773 27.391 1.00 2.86 H new ATOM 0 HB2 LYS A 1 -29.879 -63.527 27.473 1.00 2.67 H new ATOM 0 HB3 LYS A 1 -30.925 -64.930 27.375 1.00 2.67 H new ATOM 0 HG2 LYS A 1 -30.288 -65.205 24.968 1.00 2.46 H new ATOM 0 HG3 LYS A 1 -29.202 -63.838 25.117 1.00 2.46 H new ATOM 0 HD2 LYS A 1 -28.110 -65.236 27.025 1.00 2.44 H new ATOM 0 HD3 LYS A 1 -28.961 -66.583 26.294 1.00 2.44 H new ATOM 0 HE2 LYS A 1 -27.724 -65.966 24.088 1.00 2.80 H new ATOM 0 HE3 LYS A 1 -26.713 -64.928 25.074 1.00 2.80 H new ATOM 0 HZ1 LYS A 1 -25.782 -67.152 24.902 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 -26.217 -66.821 26.510 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 -27.196 -67.827 25.555 1.00 2.13 H new ATOM 25 N LYS A 2 -30.612 -60.946 26.165 1.00 2.23 N ATOM 26 CA LYS A 2 -30.226 -59.723 25.476 1.00 2.86 C ATOM 27 C LYS A 2 -29.177 -60.003 24.424 1.00 2.04 C ATOM 28 O LYS A 2 -29.275 -59.575 23.253 1.00 1.52 O ATOM 29 CB LYS A 2 -29.679 -58.647 26.446 1.00 2.67 C ATOM 30 CG LYS A 2 -29.414 -57.241 25.841 1.00 2.46 C ATOM 31 CD LYS A 2 -29.012 -56.196 26.917 1.00 2.44 C ATOM 32 CE LYS A 2 -28.742 -54.740 26.393 1.00 2.80 C ATOM 33 NZ LYS A 2 -30.059 -54.178 25.976 1.00 2.13 N1+ ATOM 0 H LYS A 2 -30.283 -60.976 27.130 1.00 2.23 H new ATOM 0 HA LYS A 2 -31.133 -59.340 25.008 1.00 2.86 H new ATOM 0 HB2 LYS A 2 -30.386 -58.537 27.268 1.00 2.67 H new ATOM 0 HB3 LYS A 2 -28.747 -59.016 26.874 1.00 2.67 H new ATOM 0 HG2 LYS A 2 -28.622 -57.313 25.096 1.00 2.46 H new ATOM 0 HG3 LYS A 2 -30.309 -56.898 25.322 1.00 2.46 H new ATOM 0 HD2 LYS A 2 -29.803 -56.151 27.665 1.00 2.44 H new ATOM 0 HD3 LYS A 2 -28.114 -56.551 27.423 1.00 2.44 H new ATOM 0 HE2 LYS A 2 -28.290 -54.127 27.173 1.00 2.80 H new ATOM 0 HE3 LYS A 2 -28.045 -54.754 25.555 1.00 2.80 H new ATOM 0 HZ1 LYS A 2 -29.934 -53.192 25.668 1.00 2.13 H new ATOM 0 HZ2 LYS A 2 -30.443 -54.740 25.190 1.00 2.13 H new ATOM 0 HZ3 LYS A 2 -30.719 -54.209 26.779 1.00 2.13 H new ATOM 47 N LYS A 3 -28.155 -60.746 24.842 1.00 2.23 N ATOM 48 CA LYS A 3 -26.889 -60.947 24.093 1.00 2.86 C ATOM 49 C LYS A 3 -27.020 -61.692 22.738 1.00 2.04 C ATOM 50 O LYS A 3 -26.393 -61.274 21.746 1.00 1.52 O ATOM 51 CB LYS A 3 -25.827 -61.618 25.001 1.00 2.67 C ATOM 52 CG LYS A 3 -24.552 -61.971 24.239 1.00 2.46 C ATOM 53 CD LYS A 3 -23.408 -62.649 25.059 1.00 2.44 C ATOM 54 CE LYS A 3 -22.281 -63.110 24.113 1.00 2.80 C ATOM 55 NZ LYS A 3 -21.125 -63.625 24.810 1.00 2.13 N1+ ATOM 0 H LYS A 3 -28.172 -61.243 25.732 1.00 2.23 H new ATOM 0 HA LYS A 3 -26.564 -59.945 23.813 1.00 2.86 H new ATOM 0 HB2 LYS A 3 -25.581 -60.948 25.825 1.00 2.67 H new ATOM 0 HB3 LYS A 3 -26.247 -62.523 25.440 1.00 2.67 H new ATOM 0 HG2 LYS A 3 -24.820 -62.634 23.417 1.00 2.46 H new ATOM 0 HG3 LYS A 3 -24.157 -61.057 23.796 1.00 2.46 H new ATOM 0 HD2 LYS A 3 -23.013 -61.948 25.794 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -23.802 -63.502 25.611 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -22.668 -63.881 23.447 1.00 2.80 H new ATOM 0 HE3 LYS A 3 -21.976 -62.271 23.487 1.00 2.80 H new ATOM 0 HZ1 LYS A 3 -20.405 -63.917 24.119 1.00 2.13 H new ATOM 0 HZ2 LYS A 3 -20.733 -62.885 25.426 1.00 2.13 H new ATOM 0 HZ3 LYS A 3 -21.404 -64.444 25.387 1.00 2.13 H new ATOM 69 N GLY A 4 -27.791 -62.798 22.699 1.00 2.23 N ATOM 70 CA GLY A 4 -27.788 -63.751 21.507 1.00 2.38 C ATOM 71 C GLY A 4 -28.663 -63.424 20.371 1.00 2.04 C ATOM 72 O GLY A 4 -28.633 -64.040 19.276 1.00 1.52 O ATOM 0 H GLY A 4 -28.422 -63.074 23.451 1.00 2.23 H new ATOM 0 HA2 GLY A 4 -26.766 -63.820 21.135 1.00 2.38 H new ATOM 0 HA3 GLY A 4 -28.063 -64.742 21.868 1.00 2.38 H new ATOM 76 N ILE A 5 -29.440 -62.330 20.407 1.00 2.23 N ATOM 77 CA ILE A 5 -30.377 -62.075 19.386 1.00 2.86 C ATOM 78 C ILE A 5 -29.643 -61.335 18.240 1.00 2.04 C ATOM 79 O ILE A 5 -30.192 -61.261 17.118 1.00 1.52 O ATOM 80 CB ILE A 5 -31.488 -61.192 19.891 1.00 2.67 C ATOM 81 CG1 ILE A 5 -32.845 -61.530 19.195 1.00 2.46 C ATOM 82 CG2 ILE A 5 -31.169 -59.659 19.927 1.00 2.46 C ATOM 83 CD1 ILE A 5 -33.165 -60.724 17.986 1.00 2.44 C ATOM 0 H ILE A 5 -29.412 -61.628 21.147 1.00 2.23 H new ATOM 0 HA ILE A 5 -30.805 -63.017 19.044 1.00 2.86 H new ATOM 0 HB ILE A 5 -31.589 -61.438 20.948 1.00 2.67 H new ATOM 0 HG12 ILE A 5 -32.837 -62.584 18.916 1.00 2.46 H new ATOM 0 HG13 ILE A 5 -33.648 -61.398 19.921 1.00 2.46 H new ATOM 0 HG21 ILE A 5 -32.035 -59.116 20.306 1.00 2.46 H new ATOM 0 HG22 ILE A 5 -30.315 -59.480 20.580 1.00 2.46 H new ATOM 0 HG23 ILE A 5 -30.935 -59.312 18.920 1.00 2.46 H new ATOM 0 HD11 ILE A 5 -34.127 -61.040 17.582 1.00 2.44 H new ATOM 0 HD12 ILE A 5 -33.213 -59.669 18.254 1.00 2.44 H new ATOM 0 HD13 ILE A 5 -32.390 -60.872 17.234 1.00 2.44 H new ATOM 95 N CYS A 6 -28.330 -60.909 18.435 1.00 2.23 N ATOM 96 CA CYS A 6 -27.582 -60.234 17.366 1.00 2.86 C ATOM 97 C CYS A 6 -27.080 -61.247 16.320 1.00 2.04 C ATOM 98 O CYS A 6 -27.044 -60.944 15.109 1.00 1.52 O ATOM 99 CB CYS A 6 -26.357 -59.467 17.952 1.00 2.67 C ATOM 100 SG CYS A 6 -26.601 -58.091 19.104 1.00 2.00 S ATOM 0 H CYS A 6 -27.811 -61.031 19.305 1.00 2.23 H new ATOM 0 HA CYS A 6 -28.261 -59.529 16.887 1.00 2.86 H new ATOM 0 HB2 CYS A 6 -25.729 -60.201 18.456 1.00 2.67 H new ATOM 0 HB3 CYS A 6 -25.784 -59.083 17.108 1.00 2.67 H new ATOM 0 HG CYS A 6 -25.446 -57.611 19.458 1.00 2.00 H new ATOM 106 N PHE A 7 -26.577 -62.393 16.794 1.00 2.23 N ATOM 107 CA PHE A 7 -26.229 -63.483 15.936 1.00 2.86 C ATOM 108 C PHE A 7 -27.371 -63.890 14.976 1.00 2.04 C ATOM 109 O PHE A 7 -27.199 -63.906 13.737 1.00 1.52 O ATOM 110 CB PHE A 7 -25.969 -64.765 16.731 1.00 2.67 C ATOM 111 CG PHE A 7 -24.893 -64.528 17.771 1.00 2.46 C ATOM 112 CD1 PHE A 7 -23.647 -64.045 17.411 1.00 2.00 C ATOM 113 CD2 PHE A 7 -25.172 -64.894 19.122 1.00 2.00 C ATOM 114 CE1 PHE A 7 -22.694 -63.886 18.419 1.00 2.00 C ATOM 115 CE2 PHE A 7 -24.246 -64.706 20.151 1.00 2.00 C ATOM 116 CZ PHE A 7 -22.969 -64.158 19.797 1.00 2.00 C ATOM 0 H PHE A 7 -26.408 -62.570 17.784 1.00 2.23 H new ATOM 0 HA PHE A 7 -25.354 -63.118 15.399 1.00 2.86 H new ATOM 0 HB2 PHE A 7 -26.888 -65.093 17.217 1.00 2.67 H new ATOM 0 HB3 PHE A 7 -25.663 -65.564 16.056 1.00 2.67 H new ATOM 0 HD1 PHE A 7 -23.419 -63.799 16.384 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -26.131 -65.331 19.357 1.00 2.00 H new ATOM 0 HE1 PHE A 7 -21.707 -63.543 18.147 1.00 2.00 H new ATOM 0 HE2 PHE A 7 -24.483 -64.963 21.173 1.00 2.00 H new ATOM 0 HZ PHE A 7 -22.228 -63.954 20.556 1.00 2.00 H new ATOM 126 N PHE A 8 -28.563 -64.154 15.577 1.00 2.23 N ATOM 127 CA PHE A 8 -29.584 -64.692 14.807 1.00 2.86 C ATOM 128 C PHE A 8 -30.301 -63.666 13.902 1.00 2.04 C ATOM 129 O PHE A 8 -30.640 -63.942 12.781 1.00 1.52 O ATOM 130 CB PHE A 8 -30.715 -65.335 15.751 1.00 2.67 C ATOM 131 CG PHE A 8 -31.855 -66.104 15.140 1.00 2.46 C ATOM 132 CD1 PHE A 8 -31.687 -67.410 14.758 1.00 2.00 C ATOM 133 CD2 PHE A 8 -33.137 -65.465 15.015 1.00 2.00 C ATOM 134 CE1 PHE A 8 -32.743 -68.109 14.142 1.00 2.00 C ATOM 135 CE2 PHE A 8 -34.170 -66.129 14.412 1.00 2.00 C ATOM 136 CZ PHE A 8 -34.019 -67.500 14.034 1.00 2.00 C ATOM 0 H PHE A 8 -28.783 -63.991 16.560 1.00 2.23 H new ATOM 0 HA PHE A 8 -29.094 -65.432 14.175 1.00 2.86 H new ATOM 0 HB2 PHE A 8 -30.212 -66.002 16.452 1.00 2.67 H new ATOM 0 HB3 PHE A 8 -31.148 -64.524 16.337 1.00 2.67 H new ATOM 0 HD1 PHE A 8 -30.742 -67.904 14.930 1.00 2.00 H new ATOM 0 HD2 PHE A 8 -33.284 -64.465 15.396 1.00 2.00 H new ATOM 0 HE1 PHE A 8 -32.582 -69.104 13.754 1.00 2.00 H new ATOM 0 HE2 PHE A 8 -35.101 -65.617 14.221 1.00 2.00 H new ATOM 0 HZ PHE A 8 -34.866 -68.064 13.671 1.00 2.00 H new ATOM 146 N CYS A 9 -30.390 -62.415 14.431 1.00 2.23 N ATOM 147 CA CYS A 9 -30.861 -61.326 13.593 1.00 2.86 C ATOM 148 C CYS A 9 -29.933 -61.164 12.419 1.00 2.04 C ATOM 149 O CYS A 9 -30.430 -60.966 11.338 1.00 1.52 O ATOM 150 CB CYS A 9 -31.065 -60.017 14.312 1.00 2.67 C ATOM 151 SG CYS A 9 -32.042 -58.636 13.513 1.00 2.00 S ATOM 0 H CYS A 9 -30.150 -62.162 15.390 1.00 2.23 H new ATOM 0 HA CYS A 9 -31.858 -61.606 13.254 1.00 2.86 H new ATOM 0 HB2 CYS A 9 -31.548 -60.244 15.263 1.00 2.67 H new ATOM 0 HB3 CYS A 9 -30.077 -59.620 14.543 1.00 2.67 H new ATOM 0 HG CYS A 9 -32.085 -57.614 14.316 1.00 2.00 H new ATOM 157 N SER A 10 -28.607 -61.238 12.643 1.00 2.23 N ATOM 158 CA SER A 10 -27.617 -61.172 11.547 1.00 2.86 C ATOM 159 C SER A 10 -27.788 -62.252 10.502 1.00 2.04 C ATOM 160 O SER A 10 -27.618 -62.028 9.293 1.00 1.52 O ATOM 161 CB SER A 10 -26.129 -61.154 12.090 1.00 2.67 C ATOM 162 OG SER A 10 -25.739 -59.959 12.822 1.00 1.64 O ATOM 0 H SER A 10 -28.196 -61.343 13.570 1.00 2.23 H new ATOM 0 HA SER A 10 -27.816 -60.224 11.048 1.00 2.86 H new ATOM 0 HB2 SER A 10 -25.988 -62.018 12.740 1.00 2.67 H new ATOM 0 HB3 SER A 10 -25.452 -61.277 11.245 1.00 2.67 H new ATOM 0 HG SER A 10 -26.081 -60.011 13.739 1.00 1.64 H new ATOM 168 N TYR A 11 -28.108 -63.492 10.922 1.00 2.23 N ATOM 169 CA TYR A 11 -28.407 -64.673 10.009 1.00 2.86 C ATOM 170 C TYR A 11 -29.742 -64.395 9.249 1.00 2.04 C ATOM 171 O TYR A 11 -29.910 -64.695 8.069 1.00 1.52 O ATOM 172 CB TYR A 11 -28.368 -65.931 10.848 1.00 2.67 C ATOM 173 CG TYR A 11 -28.572 -67.149 10.015 1.00 2.46 C ATOM 174 CD1 TYR A 11 -29.764 -67.801 9.972 1.00 2.00 C ATOM 175 CD2 TYR A 11 -27.657 -67.508 9.007 1.00 2.00 C ATOM 176 CE1 TYR A 11 -30.020 -68.880 9.136 1.00 2.00 C ATOM 177 CE2 TYR A 11 -27.887 -68.539 8.076 1.00 2.00 C ATOM 178 CZ TYR A 11 -29.012 -69.342 8.240 1.00 2.00 C ATOM 179 OH TYR A 11 -29.223 -70.465 7.426 1.00 1.85 O ATOM 0 H TYR A 11 -28.174 -63.731 11.911 1.00 2.23 H new ATOM 0 HA TYR A 11 -27.664 -64.816 9.225 1.00 2.86 H new ATOM 0 HB2 TYR A 11 -27.409 -65.997 11.362 1.00 2.67 H new ATOM 0 HB3 TYR A 11 -29.139 -65.881 11.617 1.00 2.67 H new ATOM 0 HD1 TYR A 11 -30.555 -67.461 10.624 1.00 2.00 H new ATOM 0 HD2 TYR A 11 -26.727 -66.962 8.944 1.00 2.00 H new ATOM 0 HE1 TYR A 11 -30.983 -69.369 9.165 1.00 2.00 H new ATOM 0 HE2 TYR A 11 -27.206 -68.703 7.254 1.00 2.00 H new ATOM 0 HH TYR A 11 -28.425 -70.629 6.881 1.00 1.85 H new ATOM 189 N ILE A 12 -30.766 -63.750 9.900 1.00 2.23 N ATOM 190 CA ILE A 12 -31.979 -63.374 9.165 1.00 2.86 C ATOM 191 C ILE A 12 -31.721 -62.273 8.082 1.00 2.04 C ATOM 192 O ILE A 12 -32.052 -62.422 6.908 1.00 1.52 O ATOM 193 CB ILE A 12 -33.134 -62.941 10.085 1.00 2.67 C ATOM 194 CG1 ILE A 12 -33.605 -64.156 10.900 1.00 2.46 C ATOM 195 CG2 ILE A 12 -34.267 -62.211 9.332 1.00 2.46 C ATOM 196 CD1 ILE A 12 -34.536 -63.862 12.022 1.00 2.44 C ATOM 0 H ILE A 12 -30.761 -63.498 10.888 1.00 2.23 H new ATOM 0 HA ILE A 12 -32.281 -64.288 8.654 1.00 2.86 H new ATOM 0 HB ILE A 12 -32.770 -62.188 10.783 1.00 2.67 H new ATOM 0 HG12 ILE A 12 -34.093 -64.857 10.223 1.00 2.46 H new ATOM 0 HG13 ILE A 12 -32.727 -64.661 11.304 1.00 2.46 H new ATOM 0 HG21 ILE A 12 -35.051 -61.932 10.036 1.00 2.46 H new ATOM 0 HG22 ILE A 12 -33.869 -61.314 8.857 1.00 2.46 H new ATOM 0 HG23 ILE A 12 -34.682 -62.871 8.570 1.00 2.46 H new ATOM 0 HD11 ILE A 12 -34.802 -64.791 12.527 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -34.051 -63.190 12.730 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -35.438 -63.389 11.632 1.00 2.44 H new ATOM 208 N ILE A 13 -30.965 -61.250 8.416 1.00 2.23 N ATOM 209 CA ILE A 13 -30.602 -60.172 7.501 1.00 2.86 C ATOM 210 C ILE A 13 -29.802 -60.594 6.365 1.00 2.04 C ATOM 211 O ILE A 13 -30.143 -60.196 5.217 1.00 1.52 O ATOM 212 CB ILE A 13 -29.898 -58.905 8.162 1.00 2.67 C ATOM 213 CG1 ILE A 13 -30.734 -58.322 9.337 1.00 2.46 C ATOM 214 CG2 ILE A 13 -29.694 -57.816 7.161 1.00 2.46 C ATOM 215 CD1 ILE A 13 -32.261 -58.069 8.989 1.00 2.44 C ATOM 0 H ILE A 13 -30.573 -61.135 9.351 1.00 2.23 H new ATOM 0 HA ILE A 13 -31.589 -59.862 7.157 1.00 2.86 H new ATOM 0 HB ILE A 13 -28.937 -59.257 8.538 1.00 2.67 H new ATOM 0 HG12 ILE A 13 -30.675 -59.006 10.184 1.00 2.46 H new ATOM 0 HG13 ILE A 13 -30.285 -57.381 9.655 1.00 2.46 H new ATOM 0 HG21 ILE A 13 -29.212 -56.965 7.642 1.00 2.46 H new ATOM 0 HG22 ILE A 13 -29.063 -58.180 6.351 1.00 2.46 H new ATOM 0 HG23 ILE A 13 -30.658 -57.506 6.758 1.00 2.46 H new ATOM 0 HD11 ILE A 13 -32.771 -57.662 9.862 1.00 2.44 H new ATOM 0 HD12 ILE A 13 -32.334 -57.360 8.164 1.00 2.44 H new ATOM 0 HD13 ILE A 13 -32.729 -59.010 8.701 1.00 2.44 H new ATOM 227 N ILE A 14 -28.633 -61.365 6.490 1.00 2.23 N ATOM 228 CA ILE A 14 -27.960 -61.958 5.360 1.00 2.86 C ATOM 229 C ILE A 14 -28.817 -62.801 4.575 1.00 2.04 C ATOM 230 O ILE A 14 -28.737 -62.750 3.356 1.00 1.52 O ATOM 231 CB ILE A 14 -26.675 -62.567 5.705 1.00 2.67 C ATOM 232 CG1 ILE A 14 -26.772 -63.870 6.610 1.00 2.46 C ATOM 233 CG2 ILE A 14 -25.720 -61.487 6.269 1.00 2.46 C ATOM 234 CD1 ILE A 14 -25.515 -64.205 7.304 1.00 2.44 C ATOM 0 H ILE A 14 -28.182 -61.557 7.385 1.00 2.23 H new ATOM 0 HA ILE A 14 -27.701 -61.130 4.700 1.00 2.86 H new ATOM 0 HB ILE A 14 -26.248 -62.956 4.781 1.00 2.67 H new ATOM 0 HG12 ILE A 14 -27.559 -63.729 7.351 1.00 2.46 H new ATOM 0 HG13 ILE A 14 -27.068 -64.713 5.986 1.00 2.46 H new ATOM 0 HG21 ILE A 14 -24.764 -61.944 6.525 1.00 2.46 H new ATOM 0 HG22 ILE A 14 -25.562 -60.713 5.518 1.00 2.46 H new ATOM 0 HG23 ILE A 14 -26.160 -61.043 7.162 1.00 2.46 H new ATOM 0 HD11 ILE A 14 -25.658 -65.105 7.902 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -24.729 -64.379 6.569 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -25.227 -63.379 7.955 1.00 2.44 H new ATOM 246 N SER A 15 -29.686 -63.613 5.210 1.00 2.23 N ATOM 247 CA SER A 15 -30.602 -64.494 4.528 1.00 2.86 C ATOM 248 C SER A 15 -31.573 -63.695 3.577 1.00 2.04 C ATOM 249 O SER A 15 -31.862 -64.048 2.449 1.00 1.52 O ATOM 250 CB SER A 15 -31.595 -65.361 5.386 1.00 2.67 C ATOM 251 OG SER A 15 -30.988 -66.259 6.274 1.00 1.64 O ATOM 0 H SER A 15 -29.757 -63.662 6.226 1.00 2.23 H new ATOM 0 HA SER A 15 -29.886 -65.157 4.042 1.00 2.86 H new ATOM 0 HB2 SER A 15 -32.239 -64.691 5.956 1.00 2.67 H new ATOM 0 HB3 SER A 15 -32.239 -65.923 4.710 1.00 2.67 H new ATOM 0 HG SER A 15 -30.300 -65.792 6.793 1.00 1.64 H new ATOM 257 N PHE A 16 -32.037 -62.472 4.023 1.00 2.23 N ATOM 258 CA PHE A 16 -33.098 -61.723 3.329 1.00 2.86 C ATOM 259 C PHE A 16 -32.512 -60.874 2.196 1.00 2.04 C ATOM 260 O PHE A 16 -33.213 -60.615 1.246 1.00 1.52 O ATOM 261 CB PHE A 16 -33.763 -60.807 4.502 1.00 2.67 C ATOM 262 CG PHE A 16 -34.687 -59.647 3.981 1.00 2.46 C ATOM 263 CD1 PHE A 16 -35.818 -60.069 3.238 1.00 2.00 C ATOM 264 CD2 PHE A 16 -34.513 -58.323 4.263 1.00 2.00 C ATOM 265 CE1 PHE A 16 -36.654 -59.096 2.602 1.00 2.00 C ATOM 266 CE2 PHE A 16 -35.510 -57.420 3.841 1.00 2.00 C ATOM 267 CZ PHE A 16 -36.535 -57.772 2.971 1.00 2.00 C ATOM 0 H PHE A 16 -31.680 -62.006 4.857 1.00 2.23 H new ATOM 0 HA PHE A 16 -33.835 -62.367 2.850 1.00 2.86 H new ATOM 0 HB2 PHE A 16 -34.346 -61.450 5.161 1.00 2.67 H new ATOM 0 HB3 PHE A 16 -32.964 -60.375 5.104 1.00 2.67 H new ATOM 0 HD1 PHE A 16 -36.048 -61.121 3.152 1.00 2.00 H new ATOM 0 HD2 PHE A 16 -33.638 -57.978 4.793 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -37.366 -59.394 1.846 1.00 2.00 H new ATOM 0 HE2 PHE A 16 -35.476 -56.406 4.212 1.00 2.00 H new ATOM 0 HZ PHE A 16 -37.221 -57.028 2.593 1.00 2.00 H new ATOM 277 N LEU A 17 -31.196 -60.524 2.298 1.00 2.23 N ATOM 278 CA LEU A 17 -30.371 -59.780 1.371 1.00 2.86 C ATOM 279 C LEU A 17 -30.203 -60.527 0.075 1.00 2.04 C ATOM 280 O LEU A 17 -30.380 -59.900 -0.991 1.00 1.52 O ATOM 281 CB LEU A 17 -29.065 -59.369 1.959 1.00 2.67 C ATOM 282 CG LEU A 17 -28.177 -58.375 1.124 1.00 2.46 C ATOM 283 CD1 LEU A 17 -28.959 -57.078 0.769 1.00 2.44 C ATOM 284 CD2 LEU A 17 -26.789 -58.203 1.761 1.00 2.44 C ATOM 0 H LEU A 17 -30.659 -60.795 3.122 1.00 2.23 H new ATOM 0 HA LEU A 17 -30.899 -58.852 1.151 1.00 2.86 H new ATOM 0 HB2 LEU A 17 -29.261 -58.912 2.929 1.00 2.67 H new ATOM 0 HB3 LEU A 17 -28.480 -60.270 2.143 1.00 2.67 H new ATOM 0 HG LEU A 17 -27.953 -58.803 0.147 1.00 2.46 H new ATOM 0 HD11 LEU A 17 -28.317 -56.412 0.192 1.00 2.44 H new ATOM 0 HD12 LEU A 17 -29.840 -57.334 0.180 1.00 2.44 H new ATOM 0 HD13 LEU A 17 -29.269 -56.578 1.686 1.00 2.44 H new ATOM 0 HD21 LEU A 17 -26.197 -57.511 1.162 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -26.899 -57.808 2.771 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -26.285 -59.169 1.802 1.00 2.44 H new ATOM 296 N ILE A 18 -29.807 -61.723 0.218 1.00 2.23 N ATOM 297 CA ILE A 18 -29.885 -62.739 -0.825 1.00 2.86 C ATOM 298 C ILE A 18 -31.243 -62.989 -1.459 1.00 2.04 C ATOM 299 O ILE A 18 -31.410 -63.132 -2.662 1.00 1.52 O ATOM 300 CB ILE A 18 -29.395 -64.075 -0.251 1.00 2.67 C ATOM 301 CG1 ILE A 18 -27.923 -63.965 0.264 1.00 2.46 C ATOM 302 CG2 ILE A 18 -29.610 -65.347 -1.146 1.00 2.46 C ATOM 303 CD1 ILE A 18 -26.917 -63.609 -0.781 1.00 2.44 C ATOM 0 H ILE A 18 -29.398 -62.068 1.087 1.00 2.23 H new ATOM 0 HA ILE A 18 -29.265 -62.336 -1.625 1.00 2.86 H new ATOM 0 HB ILE A 18 -30.061 -64.255 0.593 1.00 2.67 H new ATOM 0 HG12 ILE A 18 -27.885 -63.216 1.055 1.00 2.46 H new ATOM 0 HG13 ILE A 18 -27.638 -64.917 0.713 1.00 2.46 H new ATOM 0 HG21 ILE A 18 -29.222 -66.225 -0.630 1.00 2.46 H new ATOM 0 HG22 ILE A 18 -30.674 -65.480 -1.339 1.00 2.46 H new ATOM 0 HG23 ILE A 18 -29.083 -65.220 -2.092 1.00 2.46 H new ATOM 0 HD11 ILE A 18 -25.926 -63.556 -0.329 1.00 2.44 H new ATOM 0 HD12 ILE A 18 -26.919 -64.369 -1.562 1.00 2.44 H new ATOM 0 HD13 ILE A 18 -27.170 -62.642 -1.215 1.00 2.44 H new ATOM 315 N VAL A 19 -32.311 -62.985 -0.669 1.00 2.23 N ATOM 316 CA VAL A 19 -33.685 -62.980 -1.176 1.00 2.86 C ATOM 317 C VAL A 19 -34.115 -61.684 -1.888 1.00 2.04 C ATOM 318 O VAL A 19 -34.746 -61.768 -2.945 1.00 1.52 O ATOM 319 CB VAL A 19 -34.792 -63.396 -0.087 1.00 2.67 C ATOM 320 CG1 VAL A 19 -36.189 -63.442 -0.668 1.00 2.46 C ATOM 321 CG2 VAL A 19 -34.479 -64.754 0.513 1.00 2.46 C ATOM 0 H VAL A 19 -32.251 -62.985 0.349 1.00 2.23 H new ATOM 0 HA VAL A 19 -33.645 -63.762 -1.934 1.00 2.86 H new ATOM 0 HB VAL A 19 -34.760 -62.625 0.683 1.00 2.67 H new ATOM 0 HG11 VAL A 19 -36.897 -63.728 0.110 1.00 2.46 H new ATOM 0 HG12 VAL A 19 -36.454 -62.459 -1.056 1.00 2.46 H new ATOM 0 HG13 VAL A 19 -36.223 -64.173 -1.476 1.00 2.46 H new ATOM 0 HG21 VAL A 19 -35.243 -65.012 1.247 1.00 2.46 H new ATOM 0 HG22 VAL A 19 -34.465 -65.506 -0.276 1.00 2.46 H new ATOM 0 HG23 VAL A 19 -33.504 -64.721 1.000 1.00 2.46 H new ATOM 331 N VAL A 20 -33.780 -60.481 -1.430 1.00 2.23 N ATOM 332 CA VAL A 20 -33.823 -59.231 -2.132 1.00 2.86 C ATOM 333 C VAL A 20 -32.915 -59.261 -3.402 1.00 2.04 C ATOM 334 O VAL A 20 -33.402 -58.931 -4.458 1.00 1.52 O ATOM 335 CB VAL A 20 -33.580 -58.042 -1.228 1.00 2.67 C ATOM 336 CG1 VAL A 20 -33.503 -56.651 -1.962 1.00 2.46 C ATOM 337 CG2 VAL A 20 -34.629 -57.862 -0.155 1.00 2.46 C ATOM 0 H VAL A 20 -33.444 -60.361 -0.474 1.00 2.23 H new ATOM 0 HA VAL A 20 -34.842 -59.092 -2.493 1.00 2.86 H new ATOM 0 HB VAL A 20 -32.611 -58.303 -0.803 1.00 2.67 H new ATOM 0 HG11 VAL A 20 -33.327 -55.863 -1.230 1.00 2.46 H new ATOM 0 HG12 VAL A 20 -32.686 -56.665 -2.684 1.00 2.46 H new ATOM 0 HG13 VAL A 20 -34.443 -56.461 -2.481 1.00 2.46 H new ATOM 0 HG21 VAL A 20 -34.384 -56.990 0.451 1.00 2.46 H new ATOM 0 HG22 VAL A 20 -35.604 -57.718 -0.620 1.00 2.46 H new ATOM 0 HG23 VAL A 20 -34.656 -58.748 0.479 1.00 2.46 H new ATOM 347 N ASN A 21 -31.628 -59.729 -3.372 1.00 2.23 N ATOM 348 CA ASN A 21 -30.842 -59.533 -4.562 1.00 2.86 C ATOM 349 C ASN A 21 -31.320 -60.480 -5.657 1.00 2.04 C ATOM 350 O ASN A 21 -31.241 -60.215 -6.837 1.00 1.52 O ATOM 351 CB ASN A 21 -29.414 -59.949 -4.177 1.00 2.67 C ATOM 352 CG ASN A 21 -28.767 -58.861 -3.350 1.00 1.98 C ATOM 353 OD1 ASN A 21 -29.347 -57.789 -3.107 1.00 1.42 O ATOM 354 ND2 ASN A 21 -27.445 -59.018 -3.144 1.00 2.15 N ATOM 0 H ASN A 21 -31.172 -60.202 -2.592 1.00 2.23 H new ATOM 0 HA ASN A 21 -30.912 -58.506 -4.921 1.00 2.86 H new ATOM 0 HB2 ASN A 21 -29.437 -60.882 -3.613 1.00 2.67 H new ATOM 0 HB3 ASN A 21 -28.825 -60.134 -5.075 1.00 2.67 H new ATOM 0 HD21 ASN A 21 -26.890 -58.244 -2.778 1.00 2.15 H new ATOM 0 HD22 ASN A 21 -26.999 -59.911 -3.354 1.00 2.15 H new ATOM 361 N MET A 22 -31.761 -61.732 -5.278 1.00 2.23 N ATOM 362 CA MET A 22 -32.183 -62.720 -6.216 1.00 2.86 C ATOM 363 C MET A 22 -33.431 -62.218 -6.988 1.00 2.04 C ATOM 364 O MET A 22 -33.498 -62.389 -8.200 1.00 1.52 O ATOM 365 CB MET A 22 -32.502 -64.001 -5.466 1.00 2.67 C ATOM 366 CG MET A 22 -33.011 -65.156 -6.304 1.00 2.46 C ATOM 367 SD MET A 22 -31.842 -65.778 -7.551 1.00 2.00 S ATOM 368 CE MET A 22 -30.656 -66.622 -6.540 1.00 2.10 C ATOM 0 H MET A 22 -31.816 -62.036 -4.306 1.00 2.23 H new ATOM 0 HA MET A 22 -31.389 -62.911 -6.938 1.00 2.86 H new ATOM 0 HB2 MET A 22 -31.602 -64.326 -4.945 1.00 2.67 H new ATOM 0 HB3 MET A 22 -33.248 -63.775 -4.704 1.00 2.67 H new ATOM 0 HG2 MET A 22 -33.279 -65.977 -5.639 1.00 2.46 H new ATOM 0 HG3 MET A 22 -33.925 -64.843 -6.809 1.00 2.46 H new ATOM 0 HE1 MET A 22 -29.909 -67.098 -7.176 1.00 2.10 H new ATOM 0 HE2 MET A 22 -30.167 -65.907 -5.879 1.00 2.10 H new ATOM 0 HE3 MET A 22 -31.161 -67.381 -5.943 1.00 2.10 H new ATOM 378 N TYR A 23 -34.339 -61.401 -6.401 1.00 2.23 N ATOM 379 CA TYR A 23 -35.548 -60.853 -7.069 1.00 2.86 C ATOM 380 C TYR A 23 -35.127 -59.775 -8.118 1.00 2.04 C ATOM 381 O TYR A 23 -35.582 -59.721 -9.278 1.00 1.52 O ATOM 382 CB TYR A 23 -36.602 -60.307 -5.989 1.00 2.67 C ATOM 383 CG TYR A 23 -38.021 -60.033 -6.613 1.00 2.46 C ATOM 384 CD1 TYR A 23 -39.004 -61.039 -6.886 1.00 2.00 C ATOM 385 CD2 TYR A 23 -38.363 -58.684 -6.972 1.00 2.00 C ATOM 386 CE1 TYR A 23 -40.232 -60.776 -7.563 1.00 2.00 C ATOM 387 CE2 TYR A 23 -39.517 -58.421 -7.744 1.00 2.00 C ATOM 388 CZ TYR A 23 -40.419 -59.393 -8.030 1.00 2.00 C ATOM 389 OH TYR A 23 -41.601 -58.976 -8.685 1.00 1.85 O ATOM 0 H TYR A 23 -34.251 -61.098 -5.431 1.00 2.23 H new ATOM 0 HA TYR A 23 -36.060 -61.648 -7.611 1.00 2.86 H new ATOM 0 HB2 TYR A 23 -36.698 -61.033 -5.182 1.00 2.67 H new ATOM 0 HB3 TYR A 23 -36.220 -59.387 -5.547 1.00 2.67 H new ATOM 0 HD1 TYR A 23 -38.805 -62.050 -6.562 1.00 2.00 H new ATOM 0 HD2 TYR A 23 -37.735 -57.867 -6.650 1.00 2.00 H new ATOM 0 HE1 TYR A 23 -40.976 -61.542 -7.722 1.00 2.00 H new ATOM 0 HE2 TYR A 23 -39.685 -57.421 -8.116 1.00 2.00 H new ATOM 0 HH TYR A 23 -41.530 -58.026 -8.914 1.00 1.85 H new ATOM 399 N ILE A 24 -34.195 -58.840 -7.751 1.00 2.23 N ATOM 400 CA ILE A 24 -33.576 -57.798 -8.511 1.00 2.86 C ATOM 401 C ILE A 24 -32.867 -58.404 -9.702 1.00 2.04 C ATOM 402 O ILE A 24 -32.925 -57.926 -10.828 1.00 1.52 O ATOM 403 CB ILE A 24 -32.560 -57.042 -7.662 1.00 2.67 C ATOM 404 CG1 ILE A 24 -33.221 -56.311 -6.473 1.00 2.46 C ATOM 405 CG2 ILE A 24 -31.609 -56.097 -8.442 1.00 2.46 C ATOM 406 CD1 ILE A 24 -32.098 -55.737 -5.556 1.00 2.44 C ATOM 0 H ILE A 24 -33.845 -58.832 -6.793 1.00 2.23 H new ATOM 0 HA ILE A 24 -34.348 -57.103 -8.841 1.00 2.86 H new ATOM 0 HB ILE A 24 -31.914 -57.829 -7.273 1.00 2.67 H new ATOM 0 HG12 ILE A 24 -33.863 -55.507 -6.833 1.00 2.46 H new ATOM 0 HG13 ILE A 24 -33.854 -56.998 -5.911 1.00 2.46 H new ATOM 0 HG21 ILE A 24 -30.928 -55.610 -7.744 1.00 2.46 H new ATOM 0 HG22 ILE A 24 -31.035 -56.675 -9.166 1.00 2.46 H new ATOM 0 HG23 ILE A 24 -32.195 -55.341 -8.965 1.00 2.46 H new ATOM 0 HD11 ILE A 24 -32.549 -55.217 -4.711 1.00 2.44 H new ATOM 0 HD12 ILE A 24 -31.475 -56.553 -5.190 1.00 2.44 H new ATOM 0 HD13 ILE A 24 -31.484 -55.039 -6.126 1.00 2.44 H new ATOM 418 N ALA A 25 -32.219 -59.542 -9.454 1.00 2.23 N ATOM 419 CA ALA A 25 -31.642 -60.398 -10.463 1.00 2.86 C ATOM 420 C ALA A 25 -32.632 -61.002 -11.436 1.00 2.04 C ATOM 421 O ALA A 25 -32.472 -60.884 -12.637 1.00 1.52 O ATOM 422 CB ALA A 25 -30.728 -61.570 -10.064 1.00 2.67 C ATOM 0 H ALA A 25 -32.082 -59.896 -8.507 1.00 2.23 H new ATOM 0 HA ALA A 25 -31.012 -59.620 -10.895 1.00 2.86 H new ATOM 0 HB1 ALA A 25 -30.395 -62.093 -10.960 1.00 2.67 H new ATOM 0 HB2 ALA A 25 -29.862 -61.188 -9.524 1.00 2.67 H new ATOM 0 HB3 ALA A 25 -31.279 -62.260 -9.425 1.00 2.67 H new ATOM 428 N ILE A 26 -33.752 -61.531 -10.953 1.00 2.23 N ATOM 429 CA ILE A 26 -34.895 -61.841 -11.779 1.00 2.86 C ATOM 430 C ILE A 26 -35.457 -60.695 -12.504 1.00 2.04 C ATOM 431 O ILE A 26 -35.931 -60.841 -13.670 1.00 1.52 O ATOM 432 CB ILE A 26 -35.928 -62.495 -10.920 1.00 2.67 C ATOM 433 CG1 ILE A 26 -35.438 -63.918 -10.749 1.00 2.46 C ATOM 434 CG2 ILE A 26 -37.376 -62.455 -11.474 1.00 2.46 C ATOM 435 CD1 ILE A 26 -36.301 -64.677 -9.708 1.00 2.44 C ATOM 0 H ILE A 26 -33.885 -61.755 -9.967 1.00 2.23 H new ATOM 0 HA ILE A 26 -34.554 -62.513 -12.566 1.00 2.86 H new ATOM 0 HB ILE A 26 -36.021 -61.949 -9.981 1.00 2.67 H new ATOM 0 HG12 ILE A 26 -35.475 -64.437 -11.707 1.00 2.46 H new ATOM 0 HG13 ILE A 26 -34.396 -63.912 -10.429 1.00 2.46 H new ATOM 0 HG21 ILE A 26 -38.047 -62.956 -10.776 1.00 2.46 H new ATOM 0 HG22 ILE A 26 -37.690 -61.418 -11.598 1.00 2.46 H new ATOM 0 HG23 ILE A 26 -37.411 -62.962 -12.438 1.00 2.46 H new ATOM 0 HD11 ILE A 26 -35.930 -65.697 -9.602 1.00 2.44 H new ATOM 0 HD12 ILE A 26 -36.242 -64.168 -8.746 1.00 2.44 H new ATOM 0 HD13 ILE A 26 -37.338 -64.701 -10.043 1.00 2.44 H new ATOM 447 N ILE A 27 -35.539 -59.515 -11.911 1.00 2.23 N ATOM 448 CA ILE A 27 -36.076 -58.317 -12.591 1.00 2.86 C ATOM 449 C ILE A 27 -35.045 -57.727 -13.602 1.00 2.04 C ATOM 450 O ILE A 27 -35.460 -57.180 -14.678 1.00 1.52 O ATOM 451 CB ILE A 27 -36.634 -57.300 -11.645 1.00 2.67 C ATOM 452 CG1 ILE A 27 -37.820 -57.856 -10.808 1.00 2.46 C ATOM 453 CG2 ILE A 27 -37.118 -56.048 -12.370 1.00 2.46 C ATOM 454 CD1 ILE A 27 -39.025 -58.464 -11.505 1.00 2.44 C ATOM 0 H ILE A 27 -35.241 -59.347 -10.950 1.00 2.23 H new ATOM 0 HA ILE A 27 -36.935 -58.643 -13.177 1.00 2.86 H new ATOM 0 HB ILE A 27 -35.808 -57.047 -10.981 1.00 2.67 H new ATOM 0 HG12 ILE A 27 -37.416 -58.615 -10.139 1.00 2.46 H new ATOM 0 HG13 ILE A 27 -38.185 -57.041 -10.182 1.00 2.46 H new ATOM 0 HG21 ILE A 27 -37.515 -55.338 -11.644 1.00 2.46 H new ATOM 0 HG22 ILE A 27 -36.285 -55.593 -12.905 1.00 2.46 H new ATOM 0 HG23 ILE A 27 -37.901 -56.318 -13.079 1.00 2.46 H new ATOM 0 HD11 ILE A 27 -39.747 -58.796 -10.759 1.00 2.44 H new ATOM 0 HD12 ILE A 27 -39.487 -57.717 -12.151 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -38.706 -59.316 -12.106 1.00 2.44 H new ATOM 466 N LEU A 28 -33.725 -57.903 -13.396 1.00 2.23 N ATOM 467 CA LEU A 28 -32.619 -57.599 -14.295 1.00 2.86 C ATOM 468 C LEU A 28 -32.701 -58.392 -15.560 1.00 2.04 C ATOM 469 O LEU A 28 -32.600 -57.800 -16.649 1.00 1.52 O ATOM 470 CB LEU A 28 -31.180 -57.659 -13.675 1.00 2.67 C ATOM 471 CG LEU A 28 -29.989 -57.415 -14.617 1.00 2.46 C ATOM 472 CD1 LEU A 28 -29.591 -58.593 -15.597 1.00 2.44 C ATOM 473 CD2 LEU A 28 -29.905 -56.041 -15.386 1.00 2.44 C ATOM 0 H LEU A 28 -33.388 -58.296 -12.517 1.00 2.23 H new ATOM 0 HA LEU A 28 -32.760 -56.542 -14.521 1.00 2.86 H new ATOM 0 HB2 LEU A 28 -31.129 -56.924 -12.872 1.00 2.67 H new ATOM 0 HB3 LEU A 28 -31.052 -58.640 -13.218 1.00 2.67 H new ATOM 0 HG LEU A 28 -29.239 -57.365 -13.828 1.00 2.46 H new ATOM 0 HD11 LEU A 28 -28.738 -58.289 -16.204 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -29.327 -59.476 -15.016 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -30.434 -58.826 -16.247 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -29.009 -56.026 -16.007 1.00 2.44 H new ATOM 0 HD22 LEU A 28 -30.786 -55.923 -16.017 1.00 2.44 H new ATOM 0 HD23 LEU A 28 -29.861 -55.223 -14.666 1.00 2.44 H new ATOM 485 N GLU A 29 -32.832 -59.684 -15.394 1.00 2.23 N ATOM 486 CA GLU A 29 -33.108 -60.692 -16.348 1.00 2.86 C ATOM 487 C GLU A 29 -34.339 -60.298 -17.227 1.00 2.04 C ATOM 488 O GLU A 29 -34.215 -60.311 -18.469 1.00 1.52 O ATOM 489 CB GLU A 29 -33.182 -62.132 -15.759 1.00 2.67 C ATOM 490 CG GLU A 29 -32.328 -63.211 -16.496 1.00 2.77 C ATOM 491 CD GLU A 29 -32.849 -63.517 -17.892 1.00 1.98 C ATOM 492 OE1 GLU A 29 -34.064 -64.002 -17.906 1.00 1.40 O ATOM 493 OE2 GLU A 29 -32.145 -63.465 -18.932 1.00 1.40 O1- ATOM 0 H GLU A 29 -32.732 -60.089 -14.463 1.00 2.23 H new ATOM 0 HA GLU A 29 -32.244 -60.746 -17.010 1.00 2.86 H new ATOM 0 HB2 GLU A 29 -32.866 -62.095 -14.717 1.00 2.67 H new ATOM 0 HB3 GLU A 29 -34.223 -62.454 -15.765 1.00 2.67 H new ATOM 0 HG2 GLU A 29 -31.296 -62.867 -16.565 1.00 2.77 H new ATOM 0 HG3 GLU A 29 -32.320 -64.128 -15.906 1.00 2.77 H new ATOM 500 N ASN A 30 -35.476 -59.857 -16.660 1.00 2.23 N ATOM 501 CA ASN A 30 -36.527 -59.337 -17.455 1.00 2.86 C ATOM 502 C ASN A 30 -36.194 -58.010 -18.136 1.00 2.04 C ATOM 503 O ASN A 30 -36.570 -57.845 -19.312 1.00 1.52 O ATOM 504 CB ASN A 30 -37.896 -59.230 -16.677 1.00 2.67 C ATOM 505 CG ASN A 30 -38.335 -60.550 -16.092 1.00 1.98 C ATOM 506 OD1 ASN A 30 -38.357 -61.541 -16.790 1.00 1.42 O ATOM 507 ND2 ASN A 30 -38.848 -60.565 -14.844 1.00 2.15 N ATOM 0 H ASN A 30 -35.660 -59.863 -15.657 1.00 2.23 H new ATOM 0 HA ASN A 30 -36.647 -60.077 -18.246 1.00 2.86 H new ATOM 0 HB2 ASN A 30 -37.799 -58.496 -15.877 1.00 2.67 H new ATOM 0 HB3 ASN A 30 -38.667 -58.862 -17.354 1.00 2.67 H new ATOM 0 HD21 ASN A 30 -39.263 -61.420 -14.473 1.00 2.15 H new ATOM 0 HD22 ASN A 30 -38.821 -59.721 -14.271 1.00 2.15 H new ATOM 514 N PHE A 31 -35.492 -57.120 -17.482 1.00 2.23 N ATOM 515 CA PHE A 31 -35.071 -55.859 -18.040 1.00 2.86 C ATOM 516 C PHE A 31 -34.161 -55.912 -19.198 1.00 2.04 C ATOM 517 O PHE A 31 -34.297 -55.122 -20.240 1.00 1.52 O ATOM 518 CB PHE A 31 -34.476 -55.015 -16.930 1.00 2.67 C ATOM 519 CG PHE A 31 -34.321 -53.619 -17.204 1.00 2.46 C ATOM 520 CD1 PHE A 31 -35.215 -52.617 -16.750 1.00 2.00 C ATOM 521 CD2 PHE A 31 -33.131 -53.069 -17.928 1.00 2.00 C ATOM 522 CE1 PHE A 31 -35.178 -51.284 -17.076 1.00 2.00 C ATOM 523 CE2 PHE A 31 -32.998 -51.666 -18.144 1.00 2.00 C ATOM 524 CZ PHE A 31 -34.048 -50.790 -17.791 1.00 2.00 C ATOM 0 H PHE A 31 -35.188 -57.256 -16.518 1.00 2.23 H new ATOM 0 HA PHE A 31 -35.974 -55.414 -18.459 1.00 2.86 H new ATOM 0 HB2 PHE A 31 -35.104 -55.122 -16.046 1.00 2.67 H new ATOM 0 HB3 PHE A 31 -33.498 -55.424 -16.677 1.00 2.67 H new ATOM 0 HD1 PHE A 31 -36.003 -52.933 -16.082 1.00 2.00 H new ATOM 0 HD2 PHE A 31 -32.367 -53.741 -18.290 1.00 2.00 H new ATOM 0 HE1 PHE A 31 -35.987 -50.625 -16.797 1.00 2.00 H new ATOM 0 HE2 PHE A 31 -32.091 -51.272 -18.579 1.00 2.00 H new ATOM 0 HZ PHE A 31 -33.995 -49.746 -18.063 1.00 2.00 H new ATOM 534 N LYS A 32 -33.217 -56.839 -19.114 1.00 2.23 N ATOM 535 CA LYS A 32 -32.380 -57.143 -20.254 1.00 2.86 C ATOM 536 C LYS A 32 -33.176 -57.715 -21.412 1.00 2.04 C ATOM 537 O LYS A 32 -33.001 -57.282 -22.514 1.00 1.52 O ATOM 538 CB LYS A 32 -31.285 -58.193 -19.853 1.00 2.67 C ATOM 539 CG LYS A 32 -30.292 -58.578 -20.983 1.00 2.46 C ATOM 540 CD LYS A 32 -29.844 -60.055 -20.895 1.00 2.44 C ATOM 541 CE LYS A 32 -30.835 -61.117 -21.351 1.00 2.80 C ATOM 542 NZ LYS A 32 -30.496 -62.415 -20.739 1.00 2.13 N1+ ATOM 0 H LYS A 32 -33.017 -57.385 -18.276 1.00 2.23 H new ATOM 0 HA LYS A 32 -31.925 -56.204 -20.569 1.00 2.86 H new ATOM 0 HB2 LYS A 32 -30.717 -57.798 -19.011 1.00 2.67 H new ATOM 0 HB3 LYS A 32 -31.783 -59.098 -19.505 1.00 2.67 H new ATOM 0 HG2 LYS A 32 -30.761 -58.400 -21.951 1.00 2.46 H new ATOM 0 HG3 LYS A 32 -29.416 -57.932 -20.929 1.00 2.46 H new ATOM 0 HD2 LYS A 32 -28.935 -60.167 -21.486 1.00 2.44 H new ATOM 0 HD3 LYS A 32 -29.578 -60.265 -19.859 1.00 2.44 H new ATOM 0 HE2 LYS A 32 -31.847 -60.826 -21.071 1.00 2.80 H new ATOM 0 HE3 LYS A 32 -30.817 -61.201 -22.438 1.00 2.80 H new ATOM 0 HZ1 LYS A 32 -30.595 -63.169 -21.448 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 -29.515 -62.391 -20.394 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 -31.138 -62.602 -19.943 1.00 2.13 H new ATOM 556 N LYS A 33 -34.089 -58.678 -21.132 1.00 2.23 N ATOM 557 CA LYS A 33 -34.953 -59.406 -22.134 1.00 2.86 C ATOM 558 C LYS A 33 -35.874 -58.419 -22.888 1.00 2.04 C ATOM 559 O LYS A 33 -36.193 -58.631 -24.085 1.00 1.52 O ATOM 560 CB LYS A 33 -35.924 -60.373 -21.396 1.00 2.67 C ATOM 561 CG LYS A 33 -36.330 -61.692 -22.092 1.00 2.46 C ATOM 562 CD LYS A 33 -36.943 -62.811 -21.138 1.00 2.44 C ATOM 563 CE LYS A 33 -37.939 -62.238 -20.077 1.00 2.80 C ATOM 564 NZ LYS A 33 -38.417 -63.353 -19.265 1.00 2.13 N1+ ATOM 0 H LYS A 33 -34.261 -58.990 -20.176 1.00 2.23 H new ATOM 0 HA LYS A 33 -34.277 -59.927 -22.812 1.00 2.86 H new ATOM 0 HB2 LYS A 33 -35.470 -60.631 -20.439 1.00 2.67 H new ATOM 0 HB3 LYS A 33 -36.838 -59.820 -21.177 1.00 2.67 H new ATOM 0 HG2 LYS A 33 -37.059 -61.463 -22.869 1.00 2.46 H new ATOM 0 HG3 LYS A 33 -35.453 -62.105 -22.590 1.00 2.46 H new ATOM 0 HD2 LYS A 33 -37.458 -63.555 -21.746 1.00 2.44 H new ATOM 0 HD3 LYS A 33 -36.131 -63.326 -20.624 1.00 2.44 H new ATOM 0 HE2 LYS A 33 -37.445 -61.494 -19.452 1.00 2.80 H new ATOM 0 HE3 LYS A 33 -38.774 -61.738 -20.568 1.00 2.80 H new ATOM 0 HZ1 LYS A 33 -38.525 -63.043 -18.278 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 -39.336 -63.678 -19.628 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 -37.732 -64.134 -19.310 1.00 2.13 H new ATOM 578 N LYS A 34 -36.375 -57.341 -22.237 1.00 2.23 N ATOM 579 CA LYS A 34 -37.236 -56.312 -22.770 1.00 2.86 C ATOM 580 C LYS A 34 -36.598 -55.387 -23.863 1.00 2.04 C ATOM 581 O LYS A 34 -36.971 -55.463 -25.036 1.00 1.52 O ATOM 582 CB LYS A 34 -37.826 -55.507 -21.672 1.00 2.67 C ATOM 583 CG LYS A 34 -38.198 -54.081 -21.994 1.00 2.46 C ATOM 584 CD LYS A 34 -38.901 -53.406 -20.843 1.00 2.44 C ATOM 585 CE LYS A 34 -38.451 -52.011 -20.584 1.00 2.80 C ATOM 586 NZ LYS A 34 -38.464 -51.212 -21.891 1.00 2.13 N1+ ATOM 0 H LYS A 34 -36.159 -57.176 -21.254 1.00 2.23 H new ATOM 0 HA LYS A 34 -38.018 -56.854 -23.302 1.00 2.86 H new ATOM 0 HB2 LYS A 34 -38.721 -56.019 -21.319 1.00 2.67 H new ATOM 0 HB3 LYS A 34 -37.118 -55.494 -20.843 1.00 2.67 H new ATOM 0 HG2 LYS A 34 -37.298 -53.520 -22.248 1.00 2.46 H new ATOM 0 HG3 LYS A 34 -38.843 -54.064 -22.873 1.00 2.46 H new ATOM 0 HD2 LYS A 34 -39.973 -53.399 -21.041 1.00 2.44 H new ATOM 0 HD3 LYS A 34 -38.747 -53.998 -19.941 1.00 2.44 H new ATOM 0 HE2 LYS A 34 -39.105 -51.538 -19.851 1.00 2.80 H new ATOM 0 HE3 LYS A 34 -37.447 -52.016 -20.160 1.00 2.80 H new ATOM 0 HZ1 LYS A 34 -38.537 -50.197 -21.677 1.00 2.13 H new ATOM 0 HZ2 LYS A 34 -37.585 -51.393 -22.417 1.00 2.13 H new ATOM 0 HZ3 LYS A 34 -39.279 -51.503 -22.468 1.00 2.13 H new HETATM 600 N NH2 A 35 -35.453 -54.754 -23.537 1.00 2.23 N TER 603 NH2 A 35