USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 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: X 8 ASN : amide:sc= -8.73! C(o=-8.7!,f=-9!) USER MOD Set 1.2: X 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: X 1 MET CE :methyl -160:sc= -2.56! (180deg=-1.07) USER MOD Set 2.2: X 3 TYR OH : rot 11:sc= -2.78! USER MOD Set 2.3: X 50 LYS NZ :NH3+ -147:sc= 0.0151 (180deg=-1.85!) USER MOD Single : X 1 MET N :NH3+ -130:sc= 0.1 (180deg=0.0669) USER MOD Single : X 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 4 LYS NZ :NH3+ 179:sc= -1.03 (180deg=-1.06) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -139:sc= -14.8! (180deg=-20.9!) USER MOD Single : X 16 THR OG1 : rot -158:sc= -1.34 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot 180:sc= 0 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.26) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -0.0784 K(o=-0.078,f=-2!) USER MOD Single : X 37 ASN : amide:sc= -9.92! C(o=-9.9!,f=-20!) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.0613 USER MOD Single : X 45 TYR OH : rot 60:sc= 0.129! USER MOD Single : X 49 THR OG1 : rot -109:sc= 0.496 USER MOD Single : X 51 THR OG1 : rot 76:sc= 1.21 USER MOD Single : X 53 THR OG1 : rot 180:sc= -2.83! USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 26.184 -11.631 -3.184 1.00 0.00 N ATOM 2 CA MET X 1 26.749 -10.434 -3.874 1.00 0.00 C ATOM 3 C MET X 1 25.745 -9.963 -4.931 1.00 0.00 C ATOM 4 O MET X 1 24.739 -10.629 -5.177 1.00 0.00 O ATOM 5 CB MET X 1 28.137 -10.802 -4.480 1.00 0.00 C ATOM 6 CG MET X 1 28.077 -10.994 -6.007 1.00 0.00 C ATOM 7 SD MET X 1 26.830 -12.243 -6.419 1.00 0.00 S ATOM 8 CE MET X 1 27.834 -13.710 -6.077 1.00 0.00 C ATOM 0 H1 MET X 1 26.242 -11.498 -2.154 1.00 0.00 H new ATOM 0 H2 MET X 1 25.189 -11.754 -3.461 1.00 0.00 H new ATOM 0 H3 MET X 1 26.726 -12.476 -3.455 1.00 0.00 H new ATOM 0 HA MET X 1 26.911 -9.610 -3.179 1.00 0.00 H new ATOM 0 HB2 MET X 1 28.854 -10.016 -4.243 1.00 0.00 H new ATOM 0 HB3 MET X 1 28.502 -11.718 -4.015 1.00 0.00 H new ATOM 0 HG2 MET X 1 27.833 -10.049 -6.492 1.00 0.00 H new ATOM 0 HG3 MET X 1 29.052 -11.303 -6.383 1.00 0.00 H new ATOM 0 HE1 MET X 1 27.405 -14.572 -6.588 1.00 0.00 H new ATOM 0 HE2 MET X 1 28.851 -13.546 -6.434 1.00 0.00 H new ATOM 0 HE3 MET X 1 27.852 -13.896 -5.003 1.00 0.00 H new ATOM 20 N GLN X 2 26.017 -8.812 -5.549 1.00 0.00 N ATOM 21 CA GLN X 2 25.122 -8.260 -6.571 1.00 0.00 C ATOM 22 C GLN X 2 25.873 -7.984 -7.864 1.00 0.00 C ATOM 23 O GLN X 2 27.053 -7.636 -7.853 1.00 0.00 O ATOM 24 CB GLN X 2 24.494 -6.954 -6.067 1.00 0.00 C ATOM 25 CG GLN X 2 23.622 -7.232 -4.835 1.00 0.00 C ATOM 26 CD GLN X 2 22.602 -6.104 -4.641 1.00 0.00 C ATOM 27 OE1 GLN X 2 21.439 -6.254 -5.013 1.00 0.00 O ATOM 28 NE2 GLN X 2 22.969 -4.978 -4.077 1.00 0.00 N ATOM 0 H GLN X 2 26.845 -8.246 -5.362 1.00 0.00 H new ATOM 0 HA GLN X 2 24.342 -8.996 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN X 2 25.276 -6.238 -5.815 1.00 0.00 H new ATOM 0 HB3 GLN X 2 23.891 -6.503 -6.855 1.00 0.00 H new ATOM 0 HG2 GLN X 2 23.104 -8.184 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN X 2 24.250 -7.320 -3.949 1.00 0.00 H new ATOM 0 HE21 GLN X 2 23.933 -4.853 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN X 2 22.290 -4.228 -3.947 1.00 0.00 H new ATOM 37 N TYR X 3 25.164 -8.130 -8.982 1.00 0.00 N ATOM 38 CA TYR X 3 25.738 -7.888 -10.302 1.00 0.00 C ATOM 39 C TYR X 3 25.032 -6.714 -10.952 1.00 0.00 C ATOM 40 O TYR X 3 23.822 -6.549 -10.796 1.00 0.00 O ATOM 41 CB TYR X 3 25.559 -9.115 -11.186 1.00 0.00 C ATOM 42 CG TYR X 3 26.173 -10.318 -10.518 1.00 0.00 C ATOM 43 CD1 TYR X 3 27.565 -10.459 -10.470 1.00 0.00 C ATOM 44 CD2 TYR X 3 25.352 -11.307 -9.959 1.00 0.00 C ATOM 45 CE1 TYR X 3 28.135 -11.585 -9.866 1.00 0.00 C ATOM 46 CE2 TYR X 3 25.923 -12.431 -9.351 1.00 0.00 C ATOM 47 CZ TYR X 3 27.315 -12.570 -9.305 1.00 0.00 C ATOM 48 OH TYR X 3 27.877 -13.680 -8.711 1.00 0.00 O ATOM 0 H TYR X 3 24.185 -8.417 -8.998 1.00 0.00 H new ATOM 0 HA TYR X 3 26.801 -7.673 -10.188 1.00 0.00 H new ATOM 0 HB2 TYR X 3 24.499 -9.291 -11.370 1.00 0.00 H new ATOM 0 HB3 TYR X 3 26.027 -8.947 -12.156 1.00 0.00 H new ATOM 0 HD1 TYR X 3 28.199 -9.698 -10.900 1.00 0.00 H new ATOM 0 HD2 TYR X 3 24.278 -11.202 -9.997 1.00 0.00 H new ATOM 0 HE1 TYR X 3 29.209 -11.694 -9.833 1.00 0.00 H new ATOM 0 HE2 TYR X 3 25.290 -13.191 -8.917 1.00 0.00 H new ATOM 0 HH TYR X 3 28.842 -13.544 -8.611 1.00 0.00 H new ATOM 58 N LYS X 4 25.785 -5.903 -11.684 1.00 0.00 N ATOM 59 CA LYS X 4 25.214 -4.734 -12.363 1.00 0.00 C ATOM 60 C LYS X 4 25.417 -4.845 -13.869 1.00 0.00 C ATOM 61 O LYS X 4 26.534 -5.040 -14.344 1.00 0.00 O ATOM 62 CB LYS X 4 25.889 -3.458 -11.847 1.00 0.00 C ATOM 63 CG LYS X 4 25.120 -2.222 -12.333 1.00 0.00 C ATOM 64 CD LYS X 4 25.847 -0.954 -11.861 1.00 0.00 C ATOM 65 CE LYS X 4 25.218 0.285 -12.505 1.00 0.00 C ATOM 66 NZ LYS X 4 23.975 0.650 -11.770 1.00 0.00 N ATOM 0 H LYS X 4 26.787 -6.027 -11.826 1.00 0.00 H new ATOM 0 HA LYS X 4 24.145 -4.693 -12.153 1.00 0.00 H new ATOM 0 HB2 LYS X 4 25.923 -3.470 -10.758 1.00 0.00 H new ATOM 0 HB3 LYS X 4 26.920 -3.415 -12.197 1.00 0.00 H new ATOM 0 HG2 LYS X 4 25.047 -2.230 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS X 4 24.102 -2.237 -11.945 1.00 0.00 H new ATOM 0 HD2 LYS X 4 25.791 -0.877 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS X 4 26.903 -1.013 -12.123 1.00 0.00 H new ATOM 0 HE2 LYS X 4 25.923 1.116 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS X 4 24.989 0.087 -13.552 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 23.557 1.501 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 23.295 -0.135 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 24.204 0.839 -10.773 1.00 0.00 H new ATOM 80 N LEU X 5 24.323 -4.708 -14.615 1.00 0.00 N ATOM 81 CA LEU X 5 24.370 -4.780 -16.077 1.00 0.00 C ATOM 82 C LEU X 5 24.166 -3.379 -16.649 1.00 0.00 C ATOM 83 O LEU X 5 23.204 -2.693 -16.305 1.00 0.00 O ATOM 84 CB LEU X 5 23.281 -5.759 -16.556 1.00 0.00 C ATOM 85 CG LEU X 5 23.014 -5.673 -18.080 1.00 0.00 C ATOM 86 CD1 LEU X 5 22.200 -4.409 -18.447 1.00 0.00 C ATOM 87 CD2 LEU X 5 24.339 -5.703 -18.869 1.00 0.00 C ATOM 0 H LEU X 5 23.391 -4.546 -14.232 1.00 0.00 H new ATOM 0 HA LEU X 5 25.336 -5.147 -16.423 1.00 0.00 H new ATOM 0 HB2 LEU X 5 23.578 -6.776 -16.302 1.00 0.00 H new ATOM 0 HB3 LEU X 5 22.355 -5.554 -16.019 1.00 0.00 H new ATOM 0 HG LEU X 5 22.420 -6.545 -18.356 1.00 0.00 H new ATOM 0 HD11 LEU X 5 22.033 -4.384 -19.524 1.00 0.00 H new ATOM 0 HD12 LEU X 5 21.240 -4.432 -17.931 1.00 0.00 H new ATOM 0 HD13 LEU X 5 22.753 -3.520 -18.145 1.00 0.00 H new ATOM 0 HD21 LEU X 5 24.128 -5.642 -19.937 1.00 0.00 H new ATOM 0 HD22 LEU X 5 24.958 -4.857 -18.572 1.00 0.00 H new ATOM 0 HD23 LEU X 5 24.868 -6.632 -18.657 1.00 0.00 H new ATOM 99 N ILE X 6 25.086 -2.952 -17.517 1.00 0.00 N ATOM 100 CA ILE X 6 25.004 -1.619 -18.122 1.00 0.00 C ATOM 101 C ILE X 6 24.394 -1.720 -19.502 1.00 0.00 C ATOM 102 O ILE X 6 24.762 -2.581 -20.301 1.00 0.00 O ATOM 103 CB ILE X 6 26.397 -0.998 -18.246 1.00 0.00 C ATOM 104 CG1 ILE X 6 27.131 -1.087 -16.904 1.00 0.00 C ATOM 105 CG2 ILE X 6 26.262 0.465 -18.666 1.00 0.00 C ATOM 106 CD1 ILE X 6 26.263 -0.506 -15.781 1.00 0.00 C ATOM 0 H ILE X 6 25.890 -3.504 -17.815 1.00 0.00 H new ATOM 0 HA ILE X 6 24.384 -0.991 -17.482 1.00 0.00 H new ATOM 0 HB ILE X 6 26.970 -1.542 -18.997 1.00 0.00 H new ATOM 0 HG12 ILE X 6 27.374 -2.126 -16.684 1.00 0.00 H new ATOM 0 HG13 ILE X 6 28.074 -0.544 -16.961 1.00 0.00 H new ATOM 0 HG21 ILE X 6 27.253 0.911 -18.755 1.00 0.00 H new ATOM 0 HG22 ILE X 6 25.750 0.522 -19.627 1.00 0.00 H new ATOM 0 HG23 ILE X 6 25.686 1.007 -17.916 1.00 0.00 H new ATOM 0 HD11 ILE X 6 26.798 -0.576 -14.834 1.00 0.00 H new ATOM 0 HD12 ILE X 6 26.042 0.539 -15.996 1.00 0.00 H new ATOM 0 HD13 ILE X 6 25.331 -1.068 -15.714 1.00 0.00 H new ATOM 118 N LEU X 7 23.436 -0.845 -19.768 1.00 0.00 N ATOM 119 CA LEU X 7 22.744 -0.850 -21.046 1.00 0.00 C ATOM 120 C LEU X 7 23.428 0.082 -22.036 1.00 0.00 C ATOM 121 O LEU X 7 23.307 1.304 -21.948 1.00 0.00 O ATOM 122 CB LEU X 7 21.286 -0.386 -20.859 1.00 0.00 C ATOM 123 CG LEU X 7 20.376 -1.551 -20.421 1.00 0.00 C ATOM 124 CD1 LEU X 7 20.496 -1.774 -18.907 1.00 0.00 C ATOM 125 CD2 LEU X 7 18.922 -1.204 -20.770 1.00 0.00 C ATOM 0 H LEU X 7 23.121 -0.125 -19.118 1.00 0.00 H new ATOM 0 HA LEU X 7 22.767 -1.868 -21.435 1.00 0.00 H new ATOM 0 HB2 LEU X 7 21.248 0.408 -20.113 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.915 0.037 -21.793 1.00 0.00 H new ATOM 0 HG LEU X 7 20.679 -2.461 -20.938 1.00 0.00 H new ATOM 0 HD11 LEU X 7 19.849 -2.599 -18.608 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.529 -2.013 -18.655 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.195 -0.868 -18.381 1.00 0.00 H new ATOM 0 HD21 LEU X 7 18.269 -2.022 -20.464 1.00 0.00 H new ATOM 0 HD22 LEU X 7 18.630 -0.292 -20.248 1.00 0.00 H new ATOM 0 HD23 LEU X 7 18.833 -1.051 -21.845 1.00 0.00 H new ATOM 137 N ASN X 8 24.095 -0.516 -23.012 1.00 0.00 N ATOM 138 CA ASN X 8 24.743 0.237 -24.068 1.00 0.00 C ATOM 139 C ASN X 8 24.223 -0.308 -25.387 1.00 0.00 C ATOM 140 O ASN X 8 24.820 -1.204 -25.984 1.00 0.00 O ATOM 141 CB ASN X 8 26.259 0.068 -23.979 1.00 0.00 C ATOM 142 CG ASN X 8 26.604 -1.359 -23.567 1.00 0.00 C ATOM 143 OD1 ASN X 8 26.153 -1.831 -22.523 1.00 0.00 O ATOM 144 ND2 ASN X 8 27.381 -2.079 -24.331 1.00 0.00 N ATOM 0 H ASN X 8 24.200 -1.527 -23.092 1.00 0.00 H new ATOM 0 HA ASN X 8 24.525 1.301 -23.980 1.00 0.00 H new ATOM 0 HB2 ASN X 8 26.715 0.297 -24.942 1.00 0.00 H new ATOM 0 HB3 ASN X 8 26.669 0.773 -23.256 1.00 0.00 H new ATOM 0 HD21 ASN X 8 27.616 -3.035 -24.063 1.00 0.00 H new ATOM 0 HD22 ASN X 8 27.753 -1.685 -25.195 1.00 0.00 H new ATOM 151 N GLY X 9 23.082 0.228 -25.823 1.00 0.00 N ATOM 152 CA GLY X 9 22.451 -0.217 -27.063 1.00 0.00 C ATOM 153 C GLY X 9 22.412 0.896 -28.090 1.00 0.00 C ATOM 154 O GLY X 9 23.133 1.888 -27.977 1.00 0.00 O ATOM 0 H GLY X 9 22.578 0.969 -25.336 1.00 0.00 H new ATOM 0 HA2 GLY X 9 22.998 -1.069 -27.467 1.00 0.00 H new ATOM 0 HA3 GLY X 9 21.437 -0.559 -26.855 1.00 0.00 H new ATOM 158 N LYS X 10 21.565 0.728 -29.095 1.00 0.00 N ATOM 159 CA LYS X 10 21.447 1.736 -30.139 1.00 0.00 C ATOM 160 C LYS X 10 20.853 3.040 -29.574 1.00 0.00 C ATOM 161 O LYS X 10 21.452 4.106 -29.722 1.00 0.00 O ATOM 162 CB LYS X 10 20.594 1.190 -31.298 1.00 0.00 C ATOM 163 CG LYS X 10 20.953 -0.279 -31.542 1.00 0.00 C ATOM 164 CD LYS X 10 20.405 -0.726 -32.898 1.00 0.00 C ATOM 165 CE LYS X 10 20.666 -2.222 -33.086 1.00 0.00 C ATOM 166 NZ LYS X 10 19.845 -2.730 -34.221 1.00 0.00 N ATOM 0 H LYS X 10 20.958 -0.083 -29.210 1.00 0.00 H new ATOM 0 HA LYS X 10 22.441 1.968 -30.522 1.00 0.00 H new ATOM 0 HB2 LYS X 10 19.534 1.283 -31.060 1.00 0.00 H new ATOM 0 HB3 LYS X 10 20.770 1.774 -32.201 1.00 0.00 H new ATOM 0 HG2 LYS X 10 22.035 -0.408 -31.516 1.00 0.00 H new ATOM 0 HG3 LYS X 10 20.539 -0.901 -30.749 1.00 0.00 H new ATOM 0 HD2 LYS X 10 19.336 -0.523 -32.955 1.00 0.00 H new ATOM 0 HD3 LYS X 10 20.880 -0.160 -33.699 1.00 0.00 H new ATOM 0 HE2 LYS X 10 21.724 -2.396 -33.282 1.00 0.00 H new ATOM 0 HE3 LYS X 10 20.418 -2.763 -32.173 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 20.022 -3.747 -34.350 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 18.837 -2.577 -34.016 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 20.103 -2.221 -35.091 1.00 0.00 H new ATOM 180 N THR X 11 19.679 2.959 -28.925 1.00 0.00 N ATOM 181 CA THR X 11 19.035 4.148 -28.348 1.00 0.00 C ATOM 182 C THR X 11 18.610 3.899 -26.896 1.00 0.00 C ATOM 183 O THR X 11 18.177 4.818 -26.202 1.00 0.00 O ATOM 184 CB THR X 11 17.806 4.526 -29.180 1.00 0.00 C ATOM 185 OG1 THR X 11 16.942 3.403 -29.283 1.00 0.00 O ATOM 186 CG2 THR X 11 18.248 4.961 -30.578 1.00 0.00 C ATOM 0 H THR X 11 19.162 2.091 -28.788 1.00 0.00 H new ATOM 0 HA THR X 11 19.758 4.964 -28.361 1.00 0.00 H new ATOM 0 HB THR X 11 17.278 5.348 -28.696 1.00 0.00 H new ATOM 0 HG1 THR X 11 16.154 3.644 -29.814 1.00 0.00 H new ATOM 0 HG21 THR X 11 17.373 5.230 -31.169 1.00 0.00 H new ATOM 0 HG22 THR X 11 18.911 5.823 -30.498 1.00 0.00 H new ATOM 0 HG23 THR X 11 18.776 4.141 -31.064 1.00 0.00 H new ATOM 194 N LEU X 12 18.711 2.644 -26.455 1.00 0.00 N ATOM 195 CA LEU X 12 18.314 2.261 -25.100 1.00 0.00 C ATOM 196 C LEU X 12 19.522 2.245 -24.154 1.00 0.00 C ATOM 197 O LEU X 12 20.424 1.423 -24.311 1.00 0.00 O ATOM 198 CB LEU X 12 17.672 0.858 -25.156 1.00 0.00 C ATOM 199 CG LEU X 12 16.592 0.700 -24.077 1.00 0.00 C ATOM 200 CD1 LEU X 12 16.137 -0.773 -24.009 1.00 0.00 C ATOM 201 CD2 LEU X 12 17.152 1.127 -22.714 1.00 0.00 C ATOM 0 H LEU X 12 19.066 1.873 -27.020 1.00 0.00 H new ATOM 0 HA LEU X 12 17.601 2.990 -24.716 1.00 0.00 H new ATOM 0 HB2 LEU X 12 17.233 0.695 -26.140 1.00 0.00 H new ATOM 0 HB3 LEU X 12 18.441 0.097 -25.019 1.00 0.00 H new ATOM 0 HG LEU X 12 15.740 1.331 -24.330 1.00 0.00 H new ATOM 0 HD11 LEU X 12 15.370 -0.882 -23.242 1.00 0.00 H new ATOM 0 HD12 LEU X 12 15.730 -1.073 -24.975 1.00 0.00 H new ATOM 0 HD13 LEU X 12 16.989 -1.406 -23.762 1.00 0.00 H new ATOM 0 HD21 LEU X 12 16.381 1.013 -21.952 1.00 0.00 H new ATOM 0 HD22 LEU X 12 18.008 0.502 -22.460 1.00 0.00 H new ATOM 0 HD23 LEU X 12 17.465 2.170 -22.760 1.00 0.00 H new ATOM 213 N LYS X 13 19.525 3.142 -23.163 1.00 0.00 N ATOM 214 CA LYS X 13 20.630 3.210 -22.194 1.00 0.00 C ATOM 215 C LYS X 13 20.093 3.357 -20.771 1.00 0.00 C ATOM 216 O LYS X 13 19.100 4.047 -20.537 1.00 0.00 O ATOM 217 CB LYS X 13 21.559 4.401 -22.511 1.00 0.00 C ATOM 218 CG LYS X 13 22.416 4.123 -23.781 1.00 0.00 C ATOM 219 CD LYS X 13 21.754 4.747 -25.034 1.00 0.00 C ATOM 220 CE LYS X 13 22.121 3.937 -26.279 1.00 0.00 C ATOM 221 NZ LYS X 13 21.671 2.530 -26.094 1.00 0.00 N ATOM 0 H LYS X 13 18.784 3.826 -23.009 1.00 0.00 H new ATOM 0 HA LYS X 13 21.196 2.281 -22.270 1.00 0.00 H new ATOM 0 HB2 LYS X 13 20.963 5.301 -22.661 1.00 0.00 H new ATOM 0 HB3 LYS X 13 22.214 4.591 -21.661 1.00 0.00 H new ATOM 0 HG2 LYS X 13 23.416 4.535 -23.648 1.00 0.00 H new ATOM 0 HG3 LYS X 13 22.530 3.048 -23.921 1.00 0.00 H new ATOM 0 HD2 LYS X 13 20.671 4.769 -24.910 1.00 0.00 H new ATOM 0 HD3 LYS X 13 22.082 5.780 -25.152 1.00 0.00 H new ATOM 0 HE2 LYS X 13 21.650 4.370 -27.162 1.00 0.00 H new ATOM 0 HE3 LYS X 13 23.198 3.969 -26.445 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 22.399 1.882 -26.456 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 21.516 2.345 -25.082 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 20.783 2.378 -26.614 1.00 0.00 H new ATOM 235 N GLY X 14 20.763 2.700 -19.823 1.00 0.00 N ATOM 236 CA GLY X 14 20.356 2.756 -18.422 1.00 0.00 C ATOM 237 C GLY X 14 21.203 1.806 -17.567 1.00 0.00 C ATOM 238 O GLY X 14 22.308 1.431 -17.957 1.00 0.00 O ATOM 0 H GLY X 14 21.587 2.125 -20.001 1.00 0.00 H new ATOM 0 HA2 GLY X 14 20.459 3.775 -18.050 1.00 0.00 H new ATOM 0 HA3 GLY X 14 19.303 2.489 -18.334 1.00 0.00 H new ATOM 242 N GLU X 15 20.672 1.414 -16.400 1.00 0.00 N ATOM 243 CA GLU X 15 21.378 0.502 -15.495 1.00 0.00 C ATOM 244 C GLU X 15 20.432 -0.582 -15.001 1.00 0.00 C ATOM 245 O GLU X 15 19.228 -0.357 -14.877 1.00 0.00 O ATOM 246 CB GLU X 15 21.914 1.249 -14.271 1.00 0.00 C ATOM 247 CG GLU X 15 22.633 2.528 -14.692 1.00 0.00 C ATOM 248 CD GLU X 15 24.001 2.202 -15.276 1.00 0.00 C ATOM 249 OE1 GLU X 15 24.070 1.958 -16.469 1.00 0.00 O ATOM 250 OE2 GLU X 15 24.962 2.209 -14.524 1.00 0.00 O ATOM 0 H GLU X 15 19.757 1.715 -16.063 1.00 0.00 H new ATOM 0 HA GLU X 15 22.206 0.065 -16.053 1.00 0.00 H new ATOM 0 HB2 GLU X 15 21.092 1.493 -13.599 1.00 0.00 H new ATOM 0 HB3 GLU X 15 22.599 0.606 -13.717 1.00 0.00 H new ATOM 0 HG2 GLU X 15 22.034 3.063 -15.429 1.00 0.00 H new ATOM 0 HG3 GLU X 15 22.746 3.189 -13.832 1.00 0.00 H new ATOM 257 N THR X 16 20.980 -1.755 -14.699 1.00 0.00 N ATOM 258 CA THR X 16 20.162 -2.862 -14.191 1.00 0.00 C ATOM 259 C THR X 16 20.977 -3.724 -13.227 1.00 0.00 C ATOM 260 O THR X 16 22.082 -4.144 -13.550 1.00 0.00 O ATOM 261 CB THR X 16 19.657 -3.709 -15.368 1.00 0.00 C ATOM 262 OG1 THR X 16 19.331 -2.850 -16.449 1.00 0.00 O ATOM 263 CG2 THR X 16 18.415 -4.505 -14.967 1.00 0.00 C ATOM 0 H THR X 16 21.973 -1.967 -14.794 1.00 0.00 H new ATOM 0 HA THR X 16 19.307 -2.457 -13.650 1.00 0.00 H new ATOM 0 HB THR X 16 20.440 -4.408 -15.661 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.703 -3.304 -17.049 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.073 -5.098 -15.815 1.00 0.00 H new ATOM 0 HG22 THR X 16 18.660 -5.167 -14.136 1.00 0.00 H new ATOM 0 HG23 THR X 16 17.625 -3.818 -14.663 1.00 0.00 H new ATOM 271 N THR X 17 20.424 -3.989 -12.040 1.00 0.00 N ATOM 272 CA THR X 17 21.115 -4.809 -11.039 1.00 0.00 C ATOM 273 C THR X 17 20.181 -5.886 -10.491 1.00 0.00 C ATOM 274 O THR X 17 18.959 -5.754 -10.554 1.00 0.00 O ATOM 275 CB THR X 17 21.612 -3.920 -9.888 1.00 0.00 C ATOM 276 OG1 THR X 17 22.081 -2.689 -10.420 1.00 0.00 O ATOM 277 CG2 THR X 17 22.753 -4.616 -9.136 1.00 0.00 C ATOM 0 H THR X 17 19.507 -3.651 -11.749 1.00 0.00 H new ATOM 0 HA THR X 17 21.967 -5.294 -11.516 1.00 0.00 H new ATOM 0 HB THR X 17 20.790 -3.739 -9.195 1.00 0.00 H new ATOM 0 HG1 THR X 17 22.398 -2.117 -9.690 1.00 0.00 H new ATOM 0 HG21 THR X 17 23.096 -3.976 -8.323 1.00 0.00 H new ATOM 0 HG22 THR X 17 22.396 -5.562 -8.728 1.00 0.00 H new ATOM 0 HG23 THR X 17 23.579 -4.806 -9.822 1.00 0.00 H new ATOM 285 N THR X 18 20.770 -6.953 -9.957 1.00 0.00 N ATOM 286 CA THR X 18 19.999 -8.056 -9.400 1.00 0.00 C ATOM 287 C THR X 18 20.773 -8.711 -8.260 1.00 0.00 C ATOM 288 O THR X 18 22.002 -8.672 -8.229 1.00 0.00 O ATOM 289 CB THR X 18 19.690 -9.090 -10.491 1.00 0.00 C ATOM 290 OG1 THR X 18 18.688 -9.981 -10.022 1.00 0.00 O ATOM 291 CG2 THR X 18 20.954 -9.884 -10.841 1.00 0.00 C ATOM 0 H THR X 18 21.781 -7.075 -9.899 1.00 0.00 H new ATOM 0 HA THR X 18 19.058 -7.667 -9.010 1.00 0.00 H new ATOM 0 HB THR X 18 19.338 -8.572 -11.383 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.487 -10.642 -10.717 1.00 0.00 H new ATOM 0 HG21 THR X 18 20.722 -10.614 -11.616 1.00 0.00 H new ATOM 0 HG22 THR X 18 21.723 -9.202 -11.204 1.00 0.00 H new ATOM 0 HG23 THR X 18 21.317 -10.401 -9.952 1.00 0.00 H new ATOM 299 N GLU X 19 20.045 -9.313 -7.325 1.00 0.00 N ATOM 300 CA GLU X 19 20.663 -9.981 -6.179 1.00 0.00 C ATOM 301 C GLU X 19 20.619 -11.497 -6.388 1.00 0.00 C ATOM 302 O GLU X 19 19.561 -12.115 -6.274 1.00 0.00 O ATOM 303 CB GLU X 19 19.889 -9.603 -4.892 1.00 0.00 C ATOM 304 CG GLU X 19 20.814 -9.575 -3.657 1.00 0.00 C ATOM 305 CD GLU X 19 21.875 -10.673 -3.728 1.00 0.00 C ATOM 306 OE1 GLU X 19 21.503 -11.816 -3.943 1.00 0.00 O ATOM 307 OE2 GLU X 19 23.040 -10.355 -3.560 1.00 0.00 O ATOM 0 H GLU X 19 19.026 -9.353 -7.336 1.00 0.00 H new ATOM 0 HA GLU X 19 21.702 -9.665 -6.082 1.00 0.00 H new ATOM 0 HB2 GLU X 19 19.424 -8.626 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU X 19 19.084 -10.319 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU X 19 21.300 -8.602 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU X 19 20.219 -9.700 -2.752 1.00 0.00 H new ATOM 314 N ALA X 20 21.773 -12.086 -6.709 1.00 0.00 N ATOM 315 CA ALA X 20 21.855 -13.532 -6.952 1.00 0.00 C ATOM 316 C ALA X 20 23.015 -14.157 -6.182 1.00 0.00 C ATOM 317 O ALA X 20 23.941 -13.468 -5.756 1.00 0.00 O ATOM 318 CB ALA X 20 22.052 -13.796 -8.448 1.00 0.00 C ATOM 0 H ALA X 20 22.659 -11.590 -6.807 1.00 0.00 H new ATOM 0 HA ALA X 20 20.924 -13.982 -6.609 1.00 0.00 H new ATOM 0 HB1 ALA X 20 22.112 -14.870 -8.623 1.00 0.00 H new ATOM 0 HB2 ALA X 20 21.210 -13.384 -9.004 1.00 0.00 H new ATOM 0 HB3 ALA X 20 22.974 -13.322 -8.783 1.00 0.00 H new ATOM 324 N VAL X 21 22.952 -15.477 -6.024 1.00 0.00 N ATOM 325 CA VAL X 21 23.991 -16.217 -5.325 1.00 0.00 C ATOM 326 C VAL X 21 25.093 -16.593 -6.305 1.00 0.00 C ATOM 327 O VAL X 21 26.274 -16.595 -5.959 1.00 0.00 O ATOM 328 CB VAL X 21 23.383 -17.485 -4.706 1.00 0.00 C ATOM 329 CG1 VAL X 21 22.386 -18.104 -5.687 1.00 0.00 C ATOM 330 CG2 VAL X 21 24.485 -18.506 -4.393 1.00 0.00 C ATOM 0 H VAL X 21 22.188 -16.055 -6.373 1.00 0.00 H new ATOM 0 HA VAL X 21 24.414 -15.599 -4.533 1.00 0.00 H new ATOM 0 HB VAL X 21 22.874 -17.215 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL X 21 21.955 -19.004 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL X 21 21.593 -17.388 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL X 21 22.900 -18.362 -6.613 1.00 0.00 H new ATOM 0 HG21 VAL X 21 24.040 -19.399 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL X 21 25.005 -18.774 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL X 21 25.194 -18.071 -3.689 1.00 0.00 H new ATOM 340 N ASP X 22 24.691 -16.929 -7.527 1.00 0.00 N ATOM 341 CA ASP X 22 25.647 -17.326 -8.569 1.00 0.00 C ATOM 342 C ASP X 22 25.718 -16.277 -9.670 1.00 0.00 C ATOM 343 O ASP X 22 24.780 -15.508 -9.875 1.00 0.00 O ATOM 344 CB ASP X 22 25.228 -18.660 -9.180 1.00 0.00 C ATOM 345 CG ASP X 22 26.365 -19.228 -10.022 1.00 0.00 C ATOM 346 OD1 ASP X 22 27.238 -19.862 -9.453 1.00 0.00 O ATOM 347 OD2 ASP X 22 26.345 -19.021 -11.224 1.00 0.00 O ATOM 0 H ASP X 22 23.715 -16.936 -7.824 1.00 0.00 H new ATOM 0 HA ASP X 22 26.629 -17.421 -8.106 1.00 0.00 H new ATOM 0 HB2 ASP X 22 24.962 -19.363 -8.391 1.00 0.00 H new ATOM 0 HB3 ASP X 22 24.340 -18.524 -9.797 1.00 0.00 H new ATOM 352 N ALA X 23 26.841 -16.255 -10.374 1.00 0.00 N ATOM 353 CA ALA X 23 27.036 -15.302 -11.460 1.00 0.00 C ATOM 354 C ALA X 23 26.233 -15.707 -12.696 1.00 0.00 C ATOM 355 O ALA X 23 25.575 -14.875 -13.322 1.00 0.00 O ATOM 356 CB ALA X 23 28.519 -15.219 -11.819 1.00 0.00 C ATOM 0 H ALA X 23 27.629 -16.883 -10.214 1.00 0.00 H new ATOM 0 HA ALA X 23 26.685 -14.327 -11.123 1.00 0.00 H new ATOM 0 HB1 ALA X 23 28.657 -14.505 -12.631 1.00 0.00 H new ATOM 0 HB2 ALA X 23 29.087 -14.892 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA X 23 28.872 -16.201 -12.135 1.00 0.00 H new ATOM 362 N ALA X 24 26.310 -16.986 -13.050 1.00 0.00 N ATOM 363 CA ALA X 24 25.605 -17.494 -14.227 1.00 0.00 C ATOM 364 C ALA X 24 24.075 -17.342 -14.079 1.00 0.00 C ATOM 365 O ALA X 24 23.395 -17.007 -15.050 1.00 0.00 O ATOM 366 CB ALA X 24 25.957 -18.970 -14.453 1.00 0.00 C ATOM 0 H ALA X 24 26.850 -17.688 -12.544 1.00 0.00 H new ATOM 0 HA ALA X 24 25.924 -16.904 -15.087 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.428 -19.340 -15.331 1.00 0.00 H new ATOM 0 HB2 ALA X 24 27.031 -19.068 -14.609 1.00 0.00 H new ATOM 0 HB3 ALA X 24 25.662 -19.552 -13.580 1.00 0.00 H new ATOM 372 N THR X 25 23.530 -17.592 -12.875 1.00 0.00 N ATOM 373 CA THR X 25 22.086 -17.475 -12.669 1.00 0.00 C ATOM 374 C THR X 25 21.628 -16.026 -12.868 1.00 0.00 C ATOM 375 O THR X 25 20.508 -15.777 -13.313 1.00 0.00 O ATOM 376 CB THR X 25 21.696 -17.991 -11.264 1.00 0.00 C ATOM 377 OG1 THR X 25 20.361 -18.474 -11.302 1.00 0.00 O ATOM 378 CG2 THR X 25 21.800 -16.880 -10.204 1.00 0.00 C ATOM 0 H THR X 25 24.060 -17.870 -12.049 1.00 0.00 H new ATOM 0 HA THR X 25 21.579 -18.093 -13.410 1.00 0.00 H new ATOM 0 HB THR X 25 22.387 -18.788 -10.989 1.00 0.00 H new ATOM 0 HG1 THR X 25 20.107 -18.804 -10.415 1.00 0.00 H new ATOM 0 HG21 THR X 25 21.519 -17.279 -9.230 1.00 0.00 H new ATOM 0 HG22 THR X 25 22.825 -16.511 -10.163 1.00 0.00 H new ATOM 0 HG23 THR X 25 21.130 -16.061 -10.468 1.00 0.00 H new ATOM 386 N ALA X 26 22.500 -15.078 -12.534 1.00 0.00 N ATOM 387 CA ALA X 26 22.173 -13.664 -12.678 1.00 0.00 C ATOM 388 C ALA X 26 22.056 -13.286 -14.152 1.00 0.00 C ATOM 389 O ALA X 26 21.228 -12.457 -14.528 1.00 0.00 O ATOM 390 CB ALA X 26 23.249 -12.807 -12.004 1.00 0.00 C ATOM 0 H ALA X 26 23.433 -15.262 -12.164 1.00 0.00 H new ATOM 0 HA ALA X 26 21.213 -13.481 -12.196 1.00 0.00 H new ATOM 0 HB1 ALA X 26 22.997 -11.752 -12.116 1.00 0.00 H new ATOM 0 HB2 ALA X 26 23.302 -13.057 -10.944 1.00 0.00 H new ATOM 0 HB3 ALA X 26 24.214 -13.001 -12.471 1.00 0.00 H new ATOM 396 N GLU X 27 22.897 -13.898 -14.977 1.00 0.00 N ATOM 397 CA GLU X 27 22.893 -13.623 -16.413 1.00 0.00 C ATOM 398 C GLU X 27 21.546 -14.000 -17.028 1.00 0.00 C ATOM 399 O GLU X 27 21.135 -13.432 -18.033 1.00 0.00 O ATOM 400 CB GLU X 27 24.054 -14.392 -17.102 1.00 0.00 C ATOM 401 CG GLU X 27 23.538 -15.613 -17.892 1.00 0.00 C ATOM 402 CD GLU X 27 24.705 -16.478 -18.353 1.00 0.00 C ATOM 403 OE1 GLU X 27 25.812 -16.235 -17.901 1.00 0.00 O ATOM 404 OE2 GLU X 27 24.474 -17.372 -19.151 1.00 0.00 O ATOM 0 H GLU X 27 23.589 -14.586 -14.680 1.00 0.00 H new ATOM 0 HA GLU X 27 23.044 -12.555 -16.569 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.586 -13.721 -17.776 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.770 -14.721 -16.349 1.00 0.00 H new ATOM 0 HG2 GLU X 27 22.866 -16.201 -17.267 1.00 0.00 H new ATOM 0 HG3 GLU X 27 22.961 -15.279 -18.755 1.00 0.00 H new ATOM 411 N LYS X 28 20.877 -14.972 -16.428 1.00 0.00 N ATOM 412 CA LYS X 28 19.592 -15.419 -16.952 1.00 0.00 C ATOM 413 C LYS X 28 18.622 -14.249 -17.032 1.00 0.00 C ATOM 414 O LYS X 28 17.911 -14.087 -18.024 1.00 0.00 O ATOM 415 CB LYS X 28 19.007 -16.509 -16.049 1.00 0.00 C ATOM 416 CG LYS X 28 19.924 -17.733 -16.062 1.00 0.00 C ATOM 417 CD LYS X 28 19.233 -18.903 -15.345 1.00 0.00 C ATOM 418 CE LYS X 28 20.193 -20.106 -15.264 1.00 0.00 C ATOM 419 NZ LYS X 28 19.716 -21.096 -14.214 1.00 0.00 N ATOM 0 H LYS X 28 21.194 -15.461 -15.591 1.00 0.00 H new ATOM 0 HA LYS X 28 19.746 -15.825 -17.952 1.00 0.00 H new ATOM 0 HB2 LYS X 28 18.900 -16.133 -15.031 1.00 0.00 H new ATOM 0 HB3 LYS X 28 18.010 -16.785 -16.394 1.00 0.00 H new ATOM 0 HG2 LYS X 28 20.161 -18.012 -17.089 1.00 0.00 H new ATOM 0 HG3 LYS X 28 20.868 -17.498 -15.570 1.00 0.00 H new ATOM 0 HD2 LYS X 28 18.930 -18.600 -14.343 1.00 0.00 H new ATOM 0 HD3 LYS X 28 18.326 -19.185 -15.880 1.00 0.00 H new ATOM 0 HE2 LYS X 28 20.253 -20.597 -16.235 1.00 0.00 H new ATOM 0 HE3 LYS X 28 21.198 -19.762 -15.018 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 20.373 -21.901 -14.172 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 19.681 -20.628 -13.286 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 18.766 -21.438 -14.465 1.00 0.00 H new ATOM 433 N VAL X 29 18.607 -13.428 -15.992 1.00 0.00 N ATOM 434 CA VAL X 29 17.730 -12.267 -15.966 1.00 0.00 C ATOM 435 C VAL X 29 18.201 -11.217 -16.971 1.00 0.00 C ATOM 436 O VAL X 29 17.419 -10.727 -17.782 1.00 0.00 O ATOM 437 CB VAL X 29 17.708 -11.660 -14.563 1.00 0.00 C ATOM 438 CG1 VAL X 29 16.590 -10.622 -14.474 1.00 0.00 C ATOM 439 CG2 VAL X 29 17.458 -12.766 -13.535 1.00 0.00 C ATOM 0 H VAL X 29 19.187 -13.543 -15.161 1.00 0.00 H new ATOM 0 HA VAL X 29 16.724 -12.588 -16.237 1.00 0.00 H new ATOM 0 HB VAL X 29 18.666 -11.181 -14.359 1.00 0.00 H new ATOM 0 HG11 VAL X 29 16.574 -10.189 -13.474 1.00 0.00 H new ATOM 0 HG12 VAL X 29 16.765 -9.835 -15.207 1.00 0.00 H new ATOM 0 HG13 VAL X 29 15.632 -11.101 -14.677 1.00 0.00 H new ATOM 0 HG21 VAL X 29 17.442 -12.335 -12.534 1.00 0.00 H new ATOM 0 HG22 VAL X 29 16.500 -13.243 -13.740 1.00 0.00 H new ATOM 0 HG23 VAL X 29 18.254 -13.508 -13.598 1.00 0.00 H new ATOM 449 N PHE X 30 19.486 -10.872 -16.897 1.00 0.00 N ATOM 450 CA PHE X 30 20.069 -9.870 -17.785 1.00 0.00 C ATOM 451 C PHE X 30 19.992 -10.295 -19.252 1.00 0.00 C ATOM 452 O PHE X 30 19.664 -9.484 -20.118 1.00 0.00 O ATOM 453 CB PHE X 30 21.532 -9.626 -17.407 1.00 0.00 C ATOM 454 CG PHE X 30 21.610 -9.034 -16.015 1.00 0.00 C ATOM 455 CD1 PHE X 30 21.051 -7.776 -15.752 1.00 0.00 C ATOM 456 CD2 PHE X 30 22.245 -9.742 -14.984 1.00 0.00 C ATOM 457 CE1 PHE X 30 21.126 -7.229 -14.466 1.00 0.00 C ATOM 458 CE2 PHE X 30 22.320 -9.193 -13.700 1.00 0.00 C ATOM 459 CZ PHE X 30 21.762 -7.936 -13.441 1.00 0.00 C ATOM 0 H PHE X 30 20.144 -11.274 -16.229 1.00 0.00 H new ATOM 0 HA PHE X 30 19.492 -8.953 -17.666 1.00 0.00 H new ATOM 0 HB2 PHE X 30 22.088 -10.563 -17.446 1.00 0.00 H new ATOM 0 HB3 PHE X 30 21.995 -8.950 -18.126 1.00 0.00 H new ATOM 0 HD1 PHE X 30 20.561 -7.228 -16.543 1.00 0.00 H new ATOM 0 HD2 PHE X 30 22.676 -10.712 -15.182 1.00 0.00 H new ATOM 0 HE1 PHE X 30 20.692 -6.260 -14.265 1.00 0.00 H new ATOM 0 HE2 PHE X 30 22.809 -9.740 -12.907 1.00 0.00 H new ATOM 0 HZ PHE X 30 21.823 -7.512 -12.450 1.00 0.00 H new ATOM 469 N LYS X 31 20.295 -11.560 -19.533 1.00 0.00 N ATOM 470 CA LYS X 31 20.251 -12.044 -20.906 1.00 0.00 C ATOM 471 C LYS X 31 18.815 -12.037 -21.431 1.00 0.00 C ATOM 472 O LYS X 31 18.550 -11.557 -22.534 1.00 0.00 O ATOM 473 CB LYS X 31 20.829 -13.466 -20.987 1.00 0.00 C ATOM 474 CG LYS X 31 21.303 -13.770 -22.430 1.00 0.00 C ATOM 475 CD LYS X 31 22.830 -13.592 -22.547 1.00 0.00 C ATOM 476 CE LYS X 31 23.541 -14.865 -22.073 1.00 0.00 C ATOM 477 NZ LYS X 31 25.009 -14.620 -22.012 1.00 0.00 N ATOM 0 H LYS X 31 20.569 -12.256 -18.840 1.00 0.00 H new ATOM 0 HA LYS X 31 20.854 -11.379 -21.524 1.00 0.00 H new ATOM 0 HB2 LYS X 31 21.664 -13.567 -20.293 1.00 0.00 H new ATOM 0 HB3 LYS X 31 20.074 -14.191 -20.684 1.00 0.00 H new ATOM 0 HG2 LYS X 31 21.028 -14.789 -22.702 1.00 0.00 H new ATOM 0 HG3 LYS X 31 20.799 -13.106 -23.132 1.00 0.00 H new ATOM 0 HD2 LYS X 31 23.102 -13.376 -23.580 1.00 0.00 H new ATOM 0 HD3 LYS X 31 23.153 -12.740 -21.948 1.00 0.00 H new ATOM 0 HE2 LYS X 31 23.169 -15.158 -21.091 1.00 0.00 H new ATOM 0 HE3 LYS X 31 23.327 -15.689 -22.754 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 25.492 -15.483 -21.691 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 25.357 -14.360 -22.957 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 25.204 -13.846 -21.346 1.00 0.00 H new ATOM 491 N GLN X 32 17.894 -12.573 -20.635 1.00 0.00 N ATOM 492 CA GLN X 32 16.492 -12.624 -21.029 1.00 0.00 C ATOM 493 C GLN X 32 15.869 -11.232 -20.983 1.00 0.00 C ATOM 494 O GLN X 32 14.995 -10.904 -21.787 1.00 0.00 O ATOM 495 CB GLN X 32 15.729 -13.559 -20.094 1.00 0.00 C ATOM 496 CG GLN X 32 14.355 -13.872 -20.692 1.00 0.00 C ATOM 497 CD GLN X 32 14.506 -14.834 -21.865 1.00 0.00 C ATOM 498 OE1 GLN X 32 15.071 -15.917 -21.714 1.00 0.00 O ATOM 499 NE2 GLN X 32 14.025 -14.500 -23.045 1.00 0.00 N ATOM 0 H GLN X 32 18.093 -12.976 -19.719 1.00 0.00 H new ATOM 0 HA GLN X 32 16.432 -12.999 -22.051 1.00 0.00 H new ATOM 0 HB2 GLN X 32 16.291 -14.481 -19.946 1.00 0.00 H new ATOM 0 HB3 GLN X 32 15.614 -13.096 -19.114 1.00 0.00 H new ATOM 0 HG2 GLN X 32 13.709 -14.311 -19.931 1.00 0.00 H new ATOM 0 HG3 GLN X 32 13.875 -12.951 -21.025 1.00 0.00 H new ATOM 0 HE21 GLN X 32 13.557 -13.602 -23.169 1.00 0.00 H new ATOM 0 HE22 GLN X 32 14.121 -15.139 -23.834 1.00 0.00 H new ATOM 508 N TYR X 33 16.324 -10.419 -20.036 1.00 0.00 N ATOM 509 CA TYR X 33 15.811 -9.068 -19.888 1.00 0.00 C ATOM 510 C TYR X 33 16.083 -8.253 -21.148 1.00 0.00 C ATOM 511 O TYR X 33 15.335 -7.335 -21.481 1.00 0.00 O ATOM 512 CB TYR X 33 16.494 -8.400 -18.692 1.00 0.00 C ATOM 513 CG TYR X 33 16.279 -6.907 -18.746 1.00 0.00 C ATOM 514 CD1 TYR X 33 17.185 -6.098 -19.441 1.00 0.00 C ATOM 515 CD2 TYR X 33 15.177 -6.334 -18.103 1.00 0.00 C ATOM 516 CE1 TYR X 33 16.988 -4.715 -19.493 1.00 0.00 C ATOM 517 CE2 TYR X 33 14.979 -4.949 -18.154 1.00 0.00 C ATOM 518 CZ TYR X 33 15.886 -4.139 -18.850 1.00 0.00 C ATOM 519 OH TYR X 33 15.691 -2.774 -18.901 1.00 0.00 O ATOM 0 H TYR X 33 17.046 -10.674 -19.362 1.00 0.00 H new ATOM 0 HA TYR X 33 14.734 -9.113 -19.726 1.00 0.00 H new ATOM 0 HB2 TYR X 33 16.091 -8.801 -17.762 1.00 0.00 H new ATOM 0 HB3 TYR X 33 17.561 -8.623 -18.700 1.00 0.00 H new ATOM 0 HD1 TYR X 33 18.036 -6.542 -19.937 1.00 0.00 H new ATOM 0 HD2 TYR X 33 14.479 -6.960 -17.567 1.00 0.00 H new ATOM 0 HE1 TYR X 33 17.687 -4.090 -20.030 1.00 0.00 H new ATOM 0 HE2 TYR X 33 14.128 -4.506 -17.658 1.00 0.00 H new ATOM 0 HH TYR X 33 14.879 -2.541 -18.404 1.00 0.00 H new ATOM 529 N ALA X 34 17.170 -8.579 -21.825 1.00 0.00 N ATOM 530 CA ALA X 34 17.548 -7.852 -23.026 1.00 0.00 C ATOM 531 C ALA X 34 16.436 -7.938 -24.084 1.00 0.00 C ATOM 532 O ALA X 34 16.151 -6.957 -24.769 1.00 0.00 O ATOM 533 CB ALA X 34 18.878 -8.413 -23.577 1.00 0.00 C ATOM 0 H ALA X 34 17.803 -9.336 -21.567 1.00 0.00 H new ATOM 0 HA ALA X 34 17.688 -6.800 -22.776 1.00 0.00 H new ATOM 0 HB1 ALA X 34 19.158 -7.866 -24.477 1.00 0.00 H new ATOM 0 HB2 ALA X 34 19.660 -8.300 -22.826 1.00 0.00 H new ATOM 0 HB3 ALA X 34 18.756 -9.469 -23.818 1.00 0.00 H new ATOM 539 N ASN X 35 15.806 -9.105 -24.207 1.00 0.00 N ATOM 540 CA ASN X 35 14.737 -9.266 -25.173 1.00 0.00 C ATOM 541 C ASN X 35 13.522 -8.450 -24.739 1.00 0.00 C ATOM 542 O ASN X 35 12.789 -7.912 -25.569 1.00 0.00 O ATOM 543 CB ASN X 35 14.355 -10.739 -25.280 1.00 0.00 C ATOM 544 CG ASN X 35 13.527 -10.970 -26.543 1.00 0.00 C ATOM 545 OD1 ASN X 35 13.304 -10.038 -27.313 1.00 0.00 O ATOM 546 ND2 ASN X 35 13.053 -12.164 -26.804 1.00 0.00 N ATOM 0 H ASN X 35 16.017 -9.937 -23.656 1.00 0.00 H new ATOM 0 HA ASN X 35 15.078 -8.912 -26.146 1.00 0.00 H new ATOM 0 HB2 ASN X 35 15.253 -11.356 -25.305 1.00 0.00 H new ATOM 0 HB3 ASN X 35 13.786 -11.041 -24.401 1.00 0.00 H new ATOM 0 HD21 ASN X 35 12.499 -12.320 -27.646 1.00 0.00 H new ATOM 0 HD22 ASN X 35 13.238 -12.937 -26.165 1.00 0.00 H new ATOM 553 N ASP X 36 13.316 -8.375 -23.427 1.00 0.00 N ATOM 554 CA ASP X 36 12.189 -7.638 -22.873 1.00 0.00 C ATOM 555 C ASP X 36 12.316 -6.128 -23.107 1.00 0.00 C ATOM 556 O ASP X 36 11.310 -5.447 -23.304 1.00 0.00 O ATOM 557 CB ASP X 36 12.080 -7.921 -21.371 1.00 0.00 C ATOM 558 CG ASP X 36 12.348 -9.398 -21.104 1.00 0.00 C ATOM 559 OD1 ASP X 36 12.403 -10.152 -22.061 1.00 0.00 O ATOM 560 OD2 ASP X 36 12.492 -9.752 -19.946 1.00 0.00 O ATOM 0 H ASP X 36 13.916 -8.816 -22.730 1.00 0.00 H new ATOM 0 HA ASP X 36 11.288 -7.975 -23.386 1.00 0.00 H new ATOM 0 HB2 ASP X 36 12.795 -7.307 -20.823 1.00 0.00 H new ATOM 0 HB3 ASP X 36 11.087 -7.651 -21.012 1.00 0.00 H new ATOM 565 N ASN X 37 13.545 -5.595 -23.064 1.00 0.00 N ATOM 566 CA ASN X 37 13.747 -4.158 -23.253 1.00 0.00 C ATOM 567 C ASN X 37 14.094 -3.825 -24.712 1.00 0.00 C ATOM 568 O ASN X 37 13.805 -2.726 -25.183 1.00 0.00 O ATOM 569 CB ASN X 37 14.835 -3.672 -22.294 1.00 0.00 C ATOM 570 CG ASN X 37 16.218 -4.027 -22.817 1.00 0.00 C ATOM 571 OD1 ASN X 37 16.352 -4.865 -23.707 1.00 0.00 O ATOM 572 ND2 ASN X 37 17.263 -3.431 -22.310 1.00 0.00 N ATOM 0 H ASN X 37 14.399 -6.129 -22.903 1.00 0.00 H new ATOM 0 HA ASN X 37 12.817 -3.637 -23.028 1.00 0.00 H new ATOM 0 HB2 ASN X 37 14.756 -2.592 -22.166 1.00 0.00 H new ATOM 0 HB3 ASN X 37 14.687 -4.121 -21.312 1.00 0.00 H new ATOM 0 HD21 ASN X 37 18.196 -3.660 -22.652 1.00 0.00 H new ATOM 0 HD22 ASN X 37 17.146 -2.737 -21.572 1.00 0.00 H new ATOM 579 N GLY X 38 14.661 -4.794 -25.443 1.00 0.00 N ATOM 580 CA GLY X 38 14.975 -4.596 -26.867 1.00 0.00 C ATOM 581 C GLY X 38 16.460 -4.340 -27.153 1.00 0.00 C ATOM 582 O GLY X 38 16.782 -3.684 -28.145 1.00 0.00 O ATOM 0 H GLY X 38 14.910 -5.714 -25.078 1.00 0.00 H new ATOM 0 HA2 GLY X 38 14.656 -5.477 -27.424 1.00 0.00 H new ATOM 0 HA3 GLY X 38 14.394 -3.754 -27.242 1.00 0.00 H new ATOM 586 N VAL X 39 17.364 -4.864 -26.318 1.00 0.00 N ATOM 587 CA VAL X 39 18.811 -4.680 -26.549 1.00 0.00 C ATOM 588 C VAL X 39 19.514 -6.032 -26.653 1.00 0.00 C ATOM 589 O VAL X 39 19.587 -6.784 -25.683 1.00 0.00 O ATOM 590 CB VAL X 39 19.443 -3.825 -25.432 1.00 0.00 C ATOM 591 CG1 VAL X 39 18.510 -2.663 -25.099 1.00 0.00 C ATOM 592 CG2 VAL X 39 19.678 -4.660 -24.168 1.00 0.00 C ATOM 0 H VAL X 39 17.131 -5.410 -25.489 1.00 0.00 H new ATOM 0 HA VAL X 39 18.938 -4.151 -27.493 1.00 0.00 H new ATOM 0 HB VAL X 39 20.404 -3.450 -25.785 1.00 0.00 H new ATOM 0 HG11 VAL X 39 18.953 -2.056 -24.310 1.00 0.00 H new ATOM 0 HG12 VAL X 39 18.361 -2.050 -25.988 1.00 0.00 H new ATOM 0 HG13 VAL X 39 17.550 -3.053 -24.761 1.00 0.00 H new ATOM 0 HG21 VAL X 39 20.124 -4.033 -23.396 1.00 0.00 H new ATOM 0 HG22 VAL X 39 18.727 -5.054 -23.810 1.00 0.00 H new ATOM 0 HG23 VAL X 39 20.350 -5.487 -24.398 1.00 0.00 H new ATOM 602 N ASP X 40 20.029 -6.345 -27.843 1.00 0.00 N ATOM 603 CA ASP X 40 20.731 -7.616 -28.060 1.00 0.00 C ATOM 604 C ASP X 40 22.107 -7.354 -28.672 1.00 0.00 C ATOM 605 O ASP X 40 22.203 -6.999 -29.846 1.00 0.00 O ATOM 606 CB ASP X 40 19.905 -8.503 -29.002 1.00 0.00 C ATOM 607 CG ASP X 40 20.353 -9.958 -28.892 1.00 0.00 C ATOM 608 OD1 ASP X 40 20.654 -10.383 -27.788 1.00 0.00 O ATOM 609 OD2 ASP X 40 20.387 -10.627 -29.912 1.00 0.00 O ATOM 0 H ASP X 40 19.976 -5.744 -28.666 1.00 0.00 H new ATOM 0 HA ASP X 40 20.859 -8.123 -27.104 1.00 0.00 H new ATOM 0 HB2 ASP X 40 18.847 -8.422 -28.753 1.00 0.00 H new ATOM 0 HB3 ASP X 40 20.018 -8.158 -30.030 1.00 0.00 H new ATOM 614 N GLY X 41 23.173 -7.542 -27.880 1.00 0.00 N ATOM 615 CA GLY X 41 24.532 -7.321 -28.377 1.00 0.00 C ATOM 616 C GLY X 41 25.523 -8.311 -27.759 1.00 0.00 C ATOM 617 O GLY X 41 25.120 -9.313 -27.167 1.00 0.00 O ATOM 0 H GLY X 41 23.119 -7.842 -26.907 1.00 0.00 H new ATOM 0 HA2 GLY X 41 24.545 -7.422 -29.462 1.00 0.00 H new ATOM 0 HA3 GLY X 41 24.843 -6.302 -28.148 1.00 0.00 H new ATOM 621 N GLU X 42 26.821 -8.025 -27.903 1.00 0.00 N ATOM 622 CA GLU X 42 27.843 -8.894 -27.359 1.00 0.00 C ATOM 623 C GLU X 42 27.942 -8.718 -25.847 1.00 0.00 C ATOM 624 O GLU X 42 28.119 -7.607 -25.348 1.00 0.00 O ATOM 625 CB GLU X 42 29.195 -8.590 -28.014 1.00 0.00 C ATOM 626 CG GLU X 42 28.982 -8.270 -29.494 1.00 0.00 C ATOM 627 CD GLU X 42 30.325 -8.197 -30.211 1.00 0.00 C ATOM 628 OE1 GLU X 42 31.045 -7.239 -29.981 1.00 0.00 O ATOM 629 OE2 GLU X 42 30.615 -9.099 -30.979 1.00 0.00 O ATOM 0 H GLU X 42 27.177 -7.202 -28.390 1.00 0.00 H new ATOM 0 HA GLU X 42 27.570 -9.928 -27.572 1.00 0.00 H new ATOM 0 HB2 GLU X 42 29.673 -7.748 -27.514 1.00 0.00 H new ATOM 0 HB3 GLU X 42 29.863 -9.445 -27.908 1.00 0.00 H new ATOM 0 HG2 GLU X 42 28.356 -9.035 -29.953 1.00 0.00 H new ATOM 0 HG3 GLU X 42 28.454 -7.322 -29.597 1.00 0.00 H new ATOM 636 N TRP X 43 27.815 -9.828 -25.127 1.00 0.00 N ATOM 637 CA TRP X 43 27.876 -9.813 -23.671 1.00 0.00 C ATOM 638 C TRP X 43 29.294 -10.048 -23.167 1.00 0.00 C ATOM 639 O TRP X 43 30.155 -10.562 -23.882 1.00 0.00 O ATOM 640 CB TRP X 43 26.965 -10.906 -23.113 1.00 0.00 C ATOM 641 CG TRP X 43 25.537 -10.490 -23.258 1.00 0.00 C ATOM 642 CD1 TRP X 43 24.768 -10.686 -24.354 1.00 0.00 C ATOM 643 CD2 TRP X 43 24.701 -9.809 -22.287 1.00 0.00 C ATOM 644 NE1 TRP X 43 23.510 -10.160 -24.114 1.00 0.00 N ATOM 645 CE2 TRP X 43 23.420 -9.611 -22.851 1.00 0.00 C ATOM 646 CE3 TRP X 43 24.931 -9.349 -20.982 1.00 0.00 C ATOM 647 CZ2 TRP X 43 22.403 -8.978 -22.142 1.00 0.00 C ATOM 648 CZ3 TRP X 43 23.911 -8.712 -20.267 1.00 0.00 C ATOM 649 CH2 TRP X 43 22.648 -8.525 -20.844 1.00 0.00 C ATOM 0 H TRP X 43 27.669 -10.753 -25.531 1.00 0.00 H new ATOM 0 HA TRP X 43 27.549 -8.830 -23.332 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.137 -11.843 -23.643 1.00 0.00 H new ATOM 0 HB3 TRP X 43 27.197 -11.086 -22.063 1.00 0.00 H new ATOM 0 HD1 TRP X 43 25.083 -11.172 -25.265 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.744 -10.176 -24.788 1.00 0.00 H new ATOM 0 HE3 TRP X 43 25.901 -9.487 -20.527 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 21.431 -8.838 -22.593 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 24.099 -8.362 -19.263 1.00 0.00 H new ATOM 0 HH2 TRP X 43 21.866 -8.032 -20.286 1.00 0.00 H new ATOM 660 N THR X 44 29.503 -9.674 -21.916 1.00 0.00 N ATOM 661 CA THR X 44 30.790 -9.837 -21.257 1.00 0.00 C ATOM 662 C THR X 44 30.561 -9.865 -19.746 1.00 0.00 C ATOM 663 O THR X 44 29.468 -9.535 -19.286 1.00 0.00 O ATOM 664 CB THR X 44 31.713 -8.679 -21.628 1.00 0.00 C ATOM 665 OG1 THR X 44 32.993 -8.887 -21.047 1.00 0.00 O ATOM 666 CG2 THR X 44 31.116 -7.378 -21.102 1.00 0.00 C ATOM 0 H THR X 44 28.786 -9.249 -21.328 1.00 0.00 H new ATOM 0 HA THR X 44 31.259 -10.768 -21.577 1.00 0.00 H new ATOM 0 HB THR X 44 31.817 -8.623 -22.712 1.00 0.00 H new ATOM 0 HG1 THR X 44 33.586 -8.144 -21.287 1.00 0.00 H new ATOM 0 HG21 THR X 44 31.770 -6.546 -21.363 1.00 0.00 H new ATOM 0 HG22 THR X 44 30.134 -7.222 -21.548 1.00 0.00 H new ATOM 0 HG23 THR X 44 31.017 -7.435 -20.018 1.00 0.00 H new ATOM 674 N TYR X 45 31.567 -10.256 -18.969 1.00 0.00 N ATOM 675 CA TYR X 45 31.382 -10.299 -17.526 1.00 0.00 C ATOM 676 C TYR X 45 32.688 -10.556 -16.790 1.00 0.00 C ATOM 677 O TYR X 45 33.443 -11.470 -17.125 1.00 0.00 O ATOM 678 CB TYR X 45 30.366 -11.396 -17.181 1.00 0.00 C ATOM 679 CG TYR X 45 30.394 -11.711 -15.694 1.00 0.00 C ATOM 680 CD1 TYR X 45 30.214 -10.691 -14.754 1.00 0.00 C ATOM 681 CD2 TYR X 45 30.594 -13.031 -15.263 1.00 0.00 C ATOM 682 CE1 TYR X 45 30.231 -10.991 -13.387 1.00 0.00 C ATOM 683 CE2 TYR X 45 30.613 -13.328 -13.897 1.00 0.00 C ATOM 684 CZ TYR X 45 30.431 -12.309 -12.958 1.00 0.00 C ATOM 685 OH TYR X 45 30.445 -12.604 -11.611 1.00 0.00 O ATOM 0 H TYR X 45 32.489 -10.539 -19.301 1.00 0.00 H new ATOM 0 HA TYR X 45 31.013 -9.325 -17.204 1.00 0.00 H new ATOM 0 HB2 TYR X 45 29.365 -11.075 -17.470 1.00 0.00 H new ATOM 0 HB3 TYR X 45 30.589 -12.297 -17.752 1.00 0.00 H new ATOM 0 HD1 TYR X 45 30.062 -9.673 -15.083 1.00 0.00 H new ATOM 0 HD2 TYR X 45 30.734 -13.819 -15.988 1.00 0.00 H new ATOM 0 HE1 TYR X 45 30.090 -10.204 -12.661 1.00 0.00 H new ATOM 0 HE2 TYR X 45 30.768 -14.345 -13.567 1.00 0.00 H new ATOM 0 HH TYR X 45 29.583 -12.359 -11.214 1.00 0.00 H new ATOM 695 N ASP X 46 32.914 -9.763 -15.748 1.00 0.00 N ATOM 696 CA ASP X 46 34.092 -9.909 -14.905 1.00 0.00 C ATOM 697 C ASP X 46 33.630 -10.098 -13.453 1.00 0.00 C ATOM 698 O ASP X 46 33.073 -9.180 -12.851 1.00 0.00 O ATOM 699 CB ASP X 46 34.984 -8.666 -15.024 1.00 0.00 C ATOM 700 CG ASP X 46 36.040 -8.691 -13.925 1.00 0.00 C ATOM 701 OD1 ASP X 46 36.294 -9.762 -13.399 1.00 0.00 O ATOM 702 OD2 ASP X 46 36.580 -7.639 -13.626 1.00 0.00 O ATOM 0 H ASP X 46 32.290 -9.007 -15.467 1.00 0.00 H new ATOM 0 HA ASP X 46 34.673 -10.775 -15.223 1.00 0.00 H new ATOM 0 HB2 ASP X 46 35.463 -8.641 -16.003 1.00 0.00 H new ATOM 0 HB3 ASP X 46 34.380 -7.762 -14.942 1.00 0.00 H new ATOM 707 N ASP X 47 33.853 -11.291 -12.899 1.00 0.00 N ATOM 708 CA ASP X 47 33.440 -11.575 -11.528 1.00 0.00 C ATOM 709 C ASP X 47 34.247 -10.749 -10.532 1.00 0.00 C ATOM 710 O ASP X 47 33.861 -10.613 -9.371 1.00 0.00 O ATOM 711 CB ASP X 47 33.622 -13.063 -11.225 1.00 0.00 C ATOM 712 CG ASP X 47 32.961 -13.408 -9.895 1.00 0.00 C ATOM 713 OD1 ASP X 47 33.419 -12.908 -8.881 1.00 0.00 O ATOM 714 OD2 ASP X 47 32.008 -14.169 -9.910 1.00 0.00 O ATOM 0 H ASP X 47 34.313 -12.067 -13.375 1.00 0.00 H new ATOM 0 HA ASP X 47 32.388 -11.308 -11.429 1.00 0.00 H new ATOM 0 HB2 ASP X 47 33.185 -13.662 -12.024 1.00 0.00 H new ATOM 0 HB3 ASP X 47 34.683 -13.308 -11.188 1.00 0.00 H new ATOM 719 N ALA X 48 35.368 -10.206 -10.988 1.00 0.00 N ATOM 720 CA ALA X 48 36.221 -9.401 -10.120 1.00 0.00 C ATOM 721 C ALA X 48 35.666 -7.982 -9.962 1.00 0.00 C ATOM 722 O ALA X 48 36.111 -7.233 -9.092 1.00 0.00 O ATOM 723 CB ALA X 48 37.633 -9.336 -10.699 1.00 0.00 C ATOM 0 H ALA X 48 35.707 -10.306 -11.945 1.00 0.00 H new ATOM 0 HA ALA X 48 36.246 -9.872 -9.137 1.00 0.00 H new ATOM 0 HB1 ALA X 48 38.266 -8.734 -10.047 1.00 0.00 H new ATOM 0 HB2 ALA X 48 38.043 -10.343 -10.773 1.00 0.00 H new ATOM 0 HB3 ALA X 48 37.599 -8.884 -11.690 1.00 0.00 H new ATOM 729 N THR X 49 34.694 -7.608 -10.808 1.00 0.00 N ATOM 730 CA THR X 49 34.095 -6.268 -10.745 1.00 0.00 C ATOM 731 C THR X 49 32.568 -6.365 -10.677 1.00 0.00 C ATOM 732 O THR X 49 31.880 -5.345 -10.671 1.00 0.00 O ATOM 733 CB THR X 49 34.507 -5.442 -11.984 1.00 0.00 C ATOM 734 OG1 THR X 49 34.505 -6.281 -13.128 1.00 0.00 O ATOM 735 CG2 THR X 49 35.906 -4.856 -11.786 1.00 0.00 C ATOM 0 H THR X 49 34.310 -8.209 -11.537 1.00 0.00 H new ATOM 0 HA THR X 49 34.458 -5.772 -9.845 1.00 0.00 H new ATOM 0 HB THR X 49 33.797 -4.626 -12.121 1.00 0.00 H new ATOM 0 HG1 THR X 49 35.427 -6.436 -13.421 1.00 0.00 H new ATOM 0 HG21 THR X 49 36.185 -4.276 -12.666 1.00 0.00 H new ATOM 0 HG22 THR X 49 35.909 -4.209 -10.909 1.00 0.00 H new ATOM 0 HG23 THR X 49 36.622 -5.665 -11.642 1.00 0.00 H new ATOM 743 N LYS X 50 32.040 -7.592 -10.624 1.00 0.00 N ATOM 744 CA LYS X 50 30.594 -7.782 -10.557 1.00 0.00 C ATOM 745 C LYS X 50 29.880 -6.813 -11.502 1.00 0.00 C ATOM 746 O LYS X 50 29.062 -6.005 -11.062 1.00 0.00 O ATOM 747 CB LYS X 50 30.097 -7.543 -9.125 1.00 0.00 C ATOM 748 CG LYS X 50 31.000 -8.266 -8.116 1.00 0.00 C ATOM 749 CD LYS X 50 30.842 -9.780 -8.272 1.00 0.00 C ATOM 750 CE LYS X 50 31.485 -10.487 -7.079 1.00 0.00 C ATOM 751 NZ LYS X 50 31.244 -11.954 -7.184 1.00 0.00 N ATOM 0 H LYS X 50 32.585 -8.454 -10.626 1.00 0.00 H new ATOM 0 HA LYS X 50 30.371 -8.806 -10.858 1.00 0.00 H new ATOM 0 HB2 LYS X 50 30.085 -6.474 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS X 50 29.072 -7.899 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS X 50 32.040 -7.981 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS X 50 30.739 -7.966 -7.101 1.00 0.00 H new ATOM 0 HD2 LYS X 50 29.786 -10.041 -8.336 1.00 0.00 H new ATOM 0 HD3 LYS X 50 31.309 -10.111 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS X 50 32.556 -10.284 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS X 50 31.068 -10.105 -6.147 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 31.148 -12.359 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 30.371 -12.125 -7.722 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 32.045 -12.403 -7.672 1.00 0.00 H new ATOM 765 N THR X 51 30.198 -6.880 -12.800 1.00 0.00 N ATOM 766 CA THR X 51 29.571 -5.975 -13.774 1.00 0.00 C ATOM 767 C THR X 51 29.419 -6.624 -15.160 1.00 0.00 C ATOM 768 O THR X 51 30.391 -7.114 -15.737 1.00 0.00 O ATOM 769 CB THR X 51 30.415 -4.697 -13.906 1.00 0.00 C ATOM 770 OG1 THR X 51 30.506 -4.060 -12.639 1.00 0.00 O ATOM 771 CG2 THR X 51 29.759 -3.745 -14.913 1.00 0.00 C ATOM 0 H THR X 51 30.871 -7.536 -13.196 1.00 0.00 H new ATOM 0 HA THR X 51 28.573 -5.740 -13.405 1.00 0.00 H new ATOM 0 HB THR X 51 31.414 -4.957 -14.257 1.00 0.00 H new ATOM 0 HG1 THR X 51 31.137 -4.550 -12.071 1.00 0.00 H new ATOM 0 HG21 THR X 51 30.360 -2.840 -15.004 1.00 0.00 H new ATOM 0 HG22 THR X 51 29.691 -4.234 -15.885 1.00 0.00 H new ATOM 0 HG23 THR X 51 28.759 -3.483 -14.568 1.00 0.00 H new ATOM 779 N PHE X 52 28.189 -6.588 -15.701 1.00 0.00 N ATOM 780 CA PHE X 52 27.902 -7.132 -17.026 1.00 0.00 C ATOM 781 C PHE X 52 27.662 -5.978 -17.997 1.00 0.00 C ATOM 782 O PHE X 52 27.275 -4.892 -17.576 1.00 0.00 O ATOM 783 CB PHE X 52 26.644 -7.997 -16.968 1.00 0.00 C ATOM 784 CG PHE X 52 26.925 -9.270 -16.206 1.00 0.00 C ATOM 785 CD1 PHE X 52 27.187 -9.223 -14.832 1.00 0.00 C ATOM 786 CD2 PHE X 52 26.914 -10.503 -16.874 1.00 0.00 C ATOM 787 CE1 PHE X 52 27.437 -10.407 -14.128 1.00 0.00 C ATOM 788 CE2 PHE X 52 27.166 -11.685 -16.168 1.00 0.00 C ATOM 789 CZ PHE X 52 27.427 -11.637 -14.795 1.00 0.00 C ATOM 0 H PHE X 52 27.378 -6.184 -15.232 1.00 0.00 H new ATOM 0 HA PHE X 52 28.746 -7.737 -17.359 1.00 0.00 H new ATOM 0 HB2 PHE X 52 25.836 -7.446 -16.486 1.00 0.00 H new ATOM 0 HB3 PHE X 52 26.310 -8.235 -17.978 1.00 0.00 H new ATOM 0 HD1 PHE X 52 27.196 -8.275 -14.315 1.00 0.00 H new ATOM 0 HD2 PHE X 52 26.711 -10.541 -17.934 1.00 0.00 H new ATOM 0 HE1 PHE X 52 27.638 -10.371 -13.067 1.00 0.00 H new ATOM 0 HE2 PHE X 52 27.159 -12.634 -16.684 1.00 0.00 H new ATOM 0 HZ PHE X 52 27.621 -12.549 -14.250 1.00 0.00 H new ATOM 799 N THR X 53 27.879 -6.202 -19.292 1.00 0.00 N ATOM 800 CA THR X 53 27.656 -5.139 -20.278 1.00 0.00 C ATOM 801 C THR X 53 27.299 -5.735 -21.646 1.00 0.00 C ATOM 802 O THR X 53 28.004 -6.607 -22.148 1.00 0.00 O ATOM 803 CB THR X 53 28.904 -4.255 -20.429 1.00 0.00 C ATOM 804 OG1 THR X 53 29.968 -5.028 -20.954 1.00 0.00 O ATOM 805 CG2 THR X 53 29.323 -3.669 -19.077 1.00 0.00 C ATOM 0 H THR X 53 28.202 -7.088 -19.680 1.00 0.00 H new ATOM 0 HA THR X 53 26.827 -4.529 -19.918 1.00 0.00 H new ATOM 0 HB THR X 53 28.668 -3.435 -21.107 1.00 0.00 H new ATOM 0 HG1 THR X 53 30.764 -4.465 -21.052 1.00 0.00 H new ATOM 0 HG21 THR X 53 30.208 -3.047 -19.209 1.00 0.00 H new ATOM 0 HG22 THR X 53 28.511 -3.063 -18.675 1.00 0.00 H new ATOM 0 HG23 THR X 53 29.549 -4.479 -18.384 1.00 0.00 H new ATOM 813 N VAL X 54 26.210 -5.242 -22.262 1.00 0.00 N ATOM 814 CA VAL X 54 25.799 -5.727 -23.590 1.00 0.00 C ATOM 815 C VAL X 54 25.948 -4.597 -24.611 1.00 0.00 C ATOM 816 O VAL X 54 25.399 -3.511 -24.431 1.00 0.00 O ATOM 817 CB VAL X 54 24.344 -6.211 -23.552 1.00 0.00 C ATOM 818 CG1 VAL X 54 23.408 -5.023 -23.300 1.00 0.00 C ATOM 819 CG2 VAL X 54 23.987 -6.880 -24.890 1.00 0.00 C ATOM 0 H VAL X 54 25.607 -4.519 -21.869 1.00 0.00 H new ATOM 0 HA VAL X 54 26.435 -6.564 -23.879 1.00 0.00 H new ATOM 0 HB VAL X 54 24.227 -6.935 -22.745 1.00 0.00 H new ATOM 0 HG11 VAL X 54 22.376 -5.372 -23.274 1.00 0.00 H new ATOM 0 HG12 VAL X 54 23.658 -4.559 -22.346 1.00 0.00 H new ATOM 0 HG13 VAL X 54 23.524 -4.292 -24.101 1.00 0.00 H new ATOM 0 HG21 VAL X 54 22.953 -7.223 -24.861 1.00 0.00 H new ATOM 0 HG22 VAL X 54 24.108 -6.161 -25.700 1.00 0.00 H new ATOM 0 HG23 VAL X 54 24.647 -7.731 -25.059 1.00 0.00 H new ATOM 829 N THR X 55 26.722 -4.854 -25.671 1.00 0.00 N ATOM 830 CA THR X 55 26.980 -3.845 -26.713 1.00 0.00 C ATOM 831 C THR X 55 26.535 -4.344 -28.096 1.00 0.00 C ATOM 832 O THR X 55 26.963 -5.407 -28.546 1.00 0.00 O ATOM 833 CB THR X 55 28.487 -3.500 -26.734 1.00 0.00 C ATOM 834 OG1 THR X 55 28.675 -2.270 -27.417 1.00 0.00 O ATOM 835 CG2 THR X 55 29.287 -4.604 -27.446 1.00 0.00 C ATOM 0 H THR X 55 27.182 -5.750 -25.833 1.00 0.00 H new ATOM 0 HA THR X 55 26.401 -2.952 -26.478 1.00 0.00 H new ATOM 0 HB THR X 55 28.843 -3.418 -25.707 1.00 0.00 H new ATOM 0 HG1 THR X 55 29.629 -2.046 -27.431 1.00 0.00 H new ATOM 0 HG21 THR X 55 30.345 -4.342 -27.450 1.00 0.00 H new ATOM 0 HG22 THR X 55 29.149 -5.549 -26.921 1.00 0.00 H new ATOM 0 HG23 THR X 55 28.934 -4.704 -28.472 1.00 0.00 H new ATOM 843 N GLU X 56 25.675 -3.562 -28.768 1.00 0.00 N ATOM 844 CA GLU X 56 25.179 -3.923 -30.098 1.00 0.00 C ATOM 845 C GLU X 56 25.495 -2.816 -31.101 1.00 0.00 C ATOM 846 O GLU X 56 24.560 -2.208 -31.595 1.00 0.00 O ATOM 847 CB GLU X 56 23.668 -4.142 -30.029 1.00 0.00 C ATOM 848 CG GLU X 56 23.049 -3.069 -29.138 1.00 0.00 C ATOM 849 CD GLU X 56 21.526 -3.170 -29.164 1.00 0.00 C ATOM 850 OE1 GLU X 56 21.019 -3.970 -29.934 1.00 0.00 O ATOM 851 OE2 GLU X 56 20.891 -2.448 -28.414 1.00 0.00 O ATOM 852 OXT GLU X 56 26.666 -2.594 -31.360 1.00 0.00 O ATOM 0 H GLU X 56 25.312 -2.679 -28.410 1.00 0.00 H new ATOM 0 HA GLU X 56 25.669 -4.840 -30.426 1.00 0.00 H new ATOM 0 HB2 GLU X 56 23.235 -4.097 -31.028 1.00 0.00 H new ATOM 0 HB3 GLU X 56 23.449 -5.133 -29.632 1.00 0.00 H new ATOM 0 HG2 GLU X 56 23.410 -3.183 -28.116 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.360 -2.081 -29.478 1.00 0.00 H new TER 859 GLU X 56