USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 529 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 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 66 MET CE :methyl -108:sc= -1.43 (180deg=-1.82) USER MOD Set 2.1: A 23 ASN :FLIP amide:sc= -0.54 F(o=-2.7,f=-1.7) USER MOD Set 2.2: A 47 HIS :FLIP no HE2:sc= -1.12 F(o=-3.8,f=-1.7) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -126:sc= 0.0102 (180deg=0) USER MOD Set 3.2: A 61 TYR OH : rot -30:sc= -0.323 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0.188 (180deg=0.188) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0.286 (180deg=0.286) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0.0236 (180deg=0.0163) USER MOD Single : A 33 THR OG1 : rot -82:sc= 0.77 USER MOD Single : A 35 SER OG : rot -148:sc= 1.97 USER MOD Single : A 38 SER OG : rot 100:sc= -3.11! USER MOD Single : A 39 THR OG1 : rot 65:sc= 0.836 USER MOD Single : A 44 MET CE :methyl -176:sc= -10.3! (180deg=-10.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 52 TYR OH : rot -120:sc= 0.253 USER MOD Single : A 53 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.786 F(o=-1.8,f=-0.79) USER MOD Single : A 57 HIS : no HE2:sc= -3.39 X(o=-3.4,f=-3.5!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -3.5! C(o=-5.8!,f=-3.5!) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00125) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.256 4.309 -9.454 1.00 0.00 N ATOM 25 CA PHE A 10 10.521 3.844 -8.808 1.00 0.00 C ATOM 26 C PHE A 10 10.198 3.047 -7.538 1.00 0.00 C ATOM 27 O PHE A 10 9.223 3.308 -6.862 1.00 0.00 O ATOM 28 CB PHE A 10 11.305 5.140 -8.503 1.00 0.00 C ATOM 29 CG PHE A 10 11.565 5.298 -7.016 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.564 5.810 -6.180 1.00 0.00 C ATOM 31 CD2 PHE A 10 12.810 4.940 -6.478 1.00 0.00 C ATOM 32 CE1 PHE A 10 10.803 5.962 -4.811 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.049 5.095 -5.109 1.00 0.00 C ATOM 34 CZ PHE A 10 12.047 5.605 -4.274 1.00 0.00 C ATOM 0 HA PHE A 10 11.105 3.174 -9.439 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.254 5.127 -9.040 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.744 6.000 -8.868 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.606 6.088 -6.594 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.583 4.545 -7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.029 6.354 -4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.008 4.821 -4.695 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.233 5.723 -3.217 1.00 0.00 H new ATOM 44 N VAL A 11 11.019 2.088 -7.205 1.00 0.00 N ATOM 45 CA VAL A 11 10.770 1.287 -5.972 1.00 0.00 C ATOM 46 C VAL A 11 11.707 1.779 -4.868 1.00 0.00 C ATOM 47 O VAL A 11 12.909 1.604 -4.938 1.00 0.00 O ATOM 48 CB VAL A 11 11.049 -0.179 -6.354 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.519 -0.370 -6.750 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.724 -1.081 -5.161 1.00 0.00 C ATOM 0 H VAL A 11 11.851 1.825 -7.733 1.00 0.00 H new ATOM 0 HA VAL A 11 9.751 1.385 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 11 10.423 -0.443 -7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.692 -1.413 -7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.751 0.265 -7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.160 -0.098 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.920 -2.120 -5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.347 -0.800 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.673 -0.967 -4.894 1.00 0.00 H new ATOM 60 N ASP A 12 11.165 2.434 -3.871 1.00 0.00 N ATOM 61 CA ASP A 12 12.015 2.979 -2.774 1.00 0.00 C ATOM 62 C ASP A 12 13.036 1.951 -2.282 1.00 0.00 C ATOM 63 O ASP A 12 12.692 0.966 -1.657 1.00 0.00 O ATOM 64 CB ASP A 12 11.047 3.356 -1.651 1.00 0.00 C ATOM 65 CG ASP A 12 11.818 4.058 -0.529 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.384 5.108 -0.787 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.825 3.535 0.570 1.00 0.00 O ATOM 0 H ASP A 12 10.166 2.614 -3.772 1.00 0.00 H new ATOM 0 HA ASP A 12 12.595 3.835 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.265 4.011 -2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.554 2.463 -1.265 1.00 0.00 H new ATOM 72 N ASP A 13 14.295 2.204 -2.543 1.00 0.00 N ATOM 73 CA ASP A 13 15.366 1.287 -2.084 1.00 0.00 C ATOM 74 C ASP A 13 15.458 1.351 -0.560 1.00 0.00 C ATOM 75 O ASP A 13 15.902 0.424 0.090 1.00 0.00 O ATOM 76 CB ASP A 13 16.648 1.821 -2.727 1.00 0.00 C ATOM 77 CG ASP A 13 17.712 0.719 -2.742 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.733 -0.043 -3.695 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.485 0.655 -1.800 1.00 0.00 O ATOM 0 H ASP A 13 14.623 3.019 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 13 15.185 0.248 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.444 2.158 -3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.013 2.685 -2.172 1.00 0.00 H new ATOM 84 N HIS A 14 15.018 2.449 0.010 1.00 0.00 N ATOM 85 CA HIS A 14 15.047 2.601 1.489 1.00 0.00 C ATOM 86 C HIS A 14 14.105 1.576 2.135 1.00 0.00 C ATOM 87 O HIS A 14 14.329 1.128 3.244 1.00 0.00 O ATOM 88 CB HIS A 14 14.564 4.034 1.740 1.00 0.00 C ATOM 89 CG HIS A 14 15.421 4.680 2.793 1.00 0.00 C ATOM 90 ND1 HIS A 14 15.072 4.675 4.134 1.00 0.00 N ATOM 91 CD2 HIS A 14 16.615 5.354 2.720 1.00 0.00 C ATOM 92 CE1 HIS A 14 16.037 5.326 4.808 1.00 0.00 C ATOM 93 NE2 HIS A 14 17.002 5.761 3.993 1.00 0.00 N ATOM 0 H HIS A 14 14.638 3.249 -0.496 1.00 0.00 H new ATOM 0 HA HIS A 14 16.035 2.429 1.916 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.610 4.611 0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.522 4.026 2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 14 17.170 5.540 1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.032 5.478 5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.842 6.280 4.249 1.00 0.00 H new ATOM 101 N LEU A 15 13.072 1.181 1.430 1.00 0.00 N ATOM 102 CA LEU A 15 12.132 0.160 1.967 1.00 0.00 C ATOM 103 C LEU A 15 12.792 -1.213 1.819 1.00 0.00 C ATOM 104 O LEU A 15 12.642 -2.083 2.655 1.00 0.00 O ATOM 105 CB LEU A 15 10.854 0.305 1.112 1.00 0.00 C ATOM 106 CG LEU A 15 10.682 -0.870 0.135 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.085 -2.076 0.867 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.740 -0.448 -0.996 1.00 0.00 C ATOM 0 H LEU A 15 12.842 1.528 0.499 1.00 0.00 H new ATOM 0 HA LEU A 15 11.886 0.282 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.984 0.364 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.896 1.239 0.552 1.00 0.00 H new ATOM 0 HG LEU A 15 11.655 -1.145 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.966 -2.904 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.751 -2.377 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.112 -1.807 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.614 -1.277 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.771 -0.173 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.164 0.407 -1.523 1.00 0.00 H new ATOM 120 N LEU A 16 13.541 -1.391 0.758 1.00 0.00 N ATOM 121 CA LEU A 16 14.248 -2.683 0.532 1.00 0.00 C ATOM 122 C LEU A 16 15.248 -2.933 1.660 1.00 0.00 C ATOM 123 O LEU A 16 15.301 -4.007 2.223 1.00 0.00 O ATOM 124 CB LEU A 16 14.990 -2.525 -0.792 1.00 0.00 C ATOM 125 CG LEU A 16 14.078 -2.996 -1.911 1.00 0.00 C ATOM 126 CD1 LEU A 16 13.175 -1.843 -2.323 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.916 -3.458 -3.103 1.00 0.00 C ATOM 0 H LEU A 16 13.692 -0.688 0.035 1.00 0.00 H new ATOM 0 HA LEU A 16 13.554 -3.523 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.273 -1.484 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.911 -3.108 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 16 13.471 -3.834 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.514 -2.168 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.578 -1.525 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.785 -1.009 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.256 -3.795 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.527 -2.629 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.563 -4.280 -2.796 1.00 0.00 H new ATOM 139 N GLU A 17 16.036 -1.937 1.996 1.00 0.00 N ATOM 140 CA GLU A 17 17.035 -2.103 3.099 1.00 0.00 C ATOM 141 C GLU A 17 16.348 -2.633 4.372 1.00 0.00 C ATOM 142 O GLU A 17 16.983 -3.226 5.225 1.00 0.00 O ATOM 143 CB GLU A 17 17.633 -0.700 3.317 1.00 0.00 C ATOM 144 CG GLU A 17 17.037 -0.049 4.569 1.00 0.00 C ATOM 145 CD GLU A 17 17.583 1.373 4.720 1.00 0.00 C ATOM 146 OE1 GLU A 17 17.054 2.261 4.075 1.00 0.00 O ATOM 147 OE2 GLU A 17 18.521 1.548 5.481 1.00 0.00 O ATOM 0 H GLU A 17 16.030 -1.018 1.554 1.00 0.00 H new ATOM 0 HA GLU A 17 17.811 -2.828 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.716 -0.772 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.435 -0.075 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.950 -0.026 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.285 -0.640 5.451 1.00 0.00 H new ATOM 154 N LYS A 18 15.056 -2.427 4.502 1.00 0.00 N ATOM 155 CA LYS A 18 14.332 -2.920 5.711 1.00 0.00 C ATOM 156 C LYS A 18 13.538 -4.199 5.396 1.00 0.00 C ATOM 157 O LYS A 18 13.353 -5.037 6.255 1.00 0.00 O ATOM 158 CB LYS A 18 13.383 -1.782 6.099 1.00 0.00 C ATOM 159 CG LYS A 18 14.132 -0.756 6.955 1.00 0.00 C ATOM 160 CD LYS A 18 14.398 -1.340 8.347 1.00 0.00 C ATOM 161 CE LYS A 18 15.801 -0.940 8.815 1.00 0.00 C ATOM 162 NZ LYS A 18 16.721 -1.945 8.206 1.00 0.00 N ATOM 0 H LYS A 18 14.475 -1.938 3.821 1.00 0.00 H new ATOM 0 HA LYS A 18 15.021 -3.176 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.988 -1.303 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.531 -2.178 6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.074 -0.487 6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.545 0.159 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.651 -0.977 9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.309 -2.426 8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.051 0.070 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.871 -0.951 9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.702 -1.723 8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.476 -2.895 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.627 -1.919 7.171 1.00 0.00 H new ATOM 176 N VAL A 19 13.063 -4.355 4.177 1.00 0.00 N ATOM 177 CA VAL A 19 12.275 -5.583 3.832 1.00 0.00 C ATOM 178 C VAL A 19 13.194 -6.787 3.603 1.00 0.00 C ATOM 179 O VAL A 19 12.900 -7.884 4.036 1.00 0.00 O ATOM 180 CB VAL A 19 11.504 -5.230 2.559 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.371 -5.470 1.321 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.255 -6.106 2.493 1.00 0.00 C ATOM 0 H VAL A 19 13.187 -3.690 3.414 1.00 0.00 H new ATOM 0 HA VAL A 19 11.605 -5.868 4.643 1.00 0.00 H new ATOM 0 HB VAL A 19 11.227 -4.176 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.805 -5.213 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.265 -4.848 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.662 -6.520 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.691 -5.869 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.548 -7.156 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.633 -5.920 3.369 1.00 0.00 H new ATOM 192 N LEU A 20 14.317 -6.583 2.958 1.00 0.00 N ATOM 193 CA LEU A 20 15.272 -7.720 2.745 1.00 0.00 C ATOM 194 C LEU A 20 15.723 -8.153 4.123 1.00 0.00 C ATOM 195 O LEU A 20 15.891 -9.322 4.412 1.00 0.00 O ATOM 196 CB LEU A 20 16.464 -7.169 1.951 1.00 0.00 C ATOM 197 CG LEU A 20 15.977 -6.363 0.751 1.00 0.00 C ATOM 198 CD1 LEU A 20 17.108 -5.467 0.250 1.00 0.00 C ATOM 199 CD2 LEU A 20 15.539 -7.314 -0.365 1.00 0.00 C ATOM 0 H LEU A 20 14.614 -5.687 2.572 1.00 0.00 H new ATOM 0 HA LEU A 20 14.830 -8.558 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.078 -6.539 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.095 -7.991 1.613 1.00 0.00 H new ATOM 0 HG LEU A 20 15.129 -5.746 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.762 -4.890 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.413 -4.787 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.957 -6.084 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.192 -6.735 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.383 -7.935 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.730 -7.950 -0.005 1.00 0.00 H new ATOM 211 N GLU A 21 15.880 -7.180 4.979 1.00 0.00 N ATOM 212 CA GLU A 21 16.277 -7.457 6.380 1.00 0.00 C ATOM 213 C GLU A 21 15.220 -8.354 7.038 1.00 0.00 C ATOM 214 O GLU A 21 15.550 -9.258 7.784 1.00 0.00 O ATOM 215 CB GLU A 21 16.326 -6.083 7.052 1.00 0.00 C ATOM 216 CG GLU A 21 16.612 -6.238 8.550 1.00 0.00 C ATOM 217 CD GLU A 21 15.553 -5.477 9.351 1.00 0.00 C ATOM 218 OE1 GLU A 21 14.420 -5.929 9.380 1.00 0.00 O ATOM 219 OE2 GLU A 21 15.891 -4.453 9.921 1.00 0.00 O ATOM 0 H GLU A 21 15.747 -6.193 4.759 1.00 0.00 H new ATOM 0 HA GLU A 21 17.233 -7.974 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.099 -5.470 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.378 -5.565 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.604 -7.293 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.605 -5.855 8.783 1.00 0.00 H new ATOM 226 N LEU A 22 13.949 -8.132 6.755 1.00 0.00 N ATOM 227 CA LEU A 22 12.898 -9.003 7.359 1.00 0.00 C ATOM 228 C LEU A 22 12.906 -10.379 6.693 1.00 0.00 C ATOM 229 O LEU A 22 12.507 -11.363 7.284 1.00 0.00 O ATOM 230 CB LEU A 22 11.589 -8.281 7.096 1.00 0.00 C ATOM 231 CG LEU A 22 11.455 -7.140 8.094 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.836 -5.938 7.393 1.00 0.00 C ATOM 233 CD2 LEU A 22 10.576 -7.594 9.257 1.00 0.00 C ATOM 0 H LEU A 22 13.606 -7.394 6.140 1.00 0.00 H new ATOM 0 HA LEU A 22 13.059 -9.170 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.567 -7.896 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.750 -8.970 7.194 1.00 0.00 H new ATOM 0 HG LEU A 22 12.434 -6.858 8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.736 -5.115 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.476 -5.630 6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.852 -6.208 7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.476 -6.781 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.591 -7.870 8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.033 -8.455 9.744 1.00 0.00 H new ATOM 245 N ASN A 23 13.384 -10.458 5.476 1.00 0.00 N ATOM 246 CA ASN A 23 13.452 -11.776 4.778 1.00 0.00 C ATOM 247 C ASN A 23 14.693 -12.547 5.253 1.00 0.00 C ATOM 248 O ASN A 23 14.849 -13.720 4.971 1.00 0.00 O ATOM 249 CB ASN A 23 13.565 -11.441 3.290 1.00 0.00 C ATOM 250 CG ASN A 23 12.166 -11.244 2.701 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.641 -10.050 2.676 1.00 0.00 O flip ATOM 252 ND2 ASN A 23 11.543 -12.189 2.257 1.00 0.00 N flip ATOM 0 H ASN A 23 13.730 -9.665 4.936 1.00 0.00 H new ATOM 0 HA ASN A 23 12.582 -12.400 4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.158 -10.537 3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.082 -12.244 2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.952 -13.123 2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.612 -12.047 1.866 1.00 0.00 H new ATOM 259 N ALA A 24 15.572 -11.892 5.983 1.00 0.00 N ATOM 260 CA ALA A 24 16.790 -12.562 6.490 1.00 0.00 C ATOM 261 C ALA A 24 16.470 -13.298 7.788 1.00 0.00 C ATOM 262 O ALA A 24 16.996 -14.363 8.053 1.00 0.00 O ATOM 263 CB ALA A 24 17.776 -11.428 6.758 1.00 0.00 C ATOM 0 H ALA A 24 15.484 -10.910 6.245 1.00 0.00 H new ATOM 0 HA ALA A 24 17.187 -13.295 5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.710 -11.841 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 24 17.969 -10.887 5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.354 -10.746 7.496 1.00 0.00 H new ATOM 269 N LYS A 25 15.602 -12.737 8.595 1.00 0.00 N ATOM 270 CA LYS A 25 15.234 -13.397 9.873 1.00 0.00 C ATOM 271 C LYS A 25 13.868 -14.074 9.725 1.00 0.00 C ATOM 272 O LYS A 25 13.592 -15.076 10.357 1.00 0.00 O ATOM 273 CB LYS A 25 15.220 -12.269 10.914 1.00 0.00 C ATOM 274 CG LYS A 25 13.999 -11.362 10.720 1.00 0.00 C ATOM 275 CD LYS A 25 14.175 -10.095 11.562 1.00 0.00 C ATOM 276 CE LYS A 25 13.836 -8.861 10.720 1.00 0.00 C ATOM 277 NZ LYS A 25 13.704 -7.744 11.698 1.00 0.00 N ATOM 0 H LYS A 25 15.135 -11.848 8.417 1.00 0.00 H new ATOM 0 HA LYS A 25 15.929 -14.182 10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.206 -12.695 11.917 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.133 -11.680 10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.888 -11.101 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.090 -11.887 11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.529 -10.137 12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.201 -10.028 11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.619 -8.655 9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.911 -9.007 10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.389 -6.885 11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.006 -8.000 12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.624 -7.567 12.149 1.00 0.00 H new ATOM 291 N GLY A 26 13.021 -13.536 8.881 1.00 0.00 N ATOM 292 CA GLY A 26 11.677 -14.148 8.668 1.00 0.00 C ATOM 293 C GLY A 26 10.625 -13.391 9.476 1.00 0.00 C ATOM 294 O GLY A 26 9.622 -13.951 9.873 1.00 0.00 O ATOM 0 H GLY A 26 13.205 -12.697 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.421 -14.124 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.694 -15.196 8.968 1.00 0.00 H new ATOM 298 N GLU A 27 10.843 -12.123 9.722 1.00 0.00 N ATOM 299 CA GLU A 27 9.843 -11.339 10.509 1.00 0.00 C ATOM 300 C GLU A 27 8.819 -10.688 9.573 1.00 0.00 C ATOM 301 O GLU A 27 9.167 -10.108 8.562 1.00 0.00 O ATOM 302 CB GLU A 27 10.652 -10.273 11.249 1.00 0.00 C ATOM 303 CG GLU A 27 11.000 -10.778 12.652 1.00 0.00 C ATOM 304 CD GLU A 27 10.908 -9.621 13.650 1.00 0.00 C ATOM 305 OE1 GLU A 27 9.811 -9.347 14.111 1.00 0.00 O ATOM 306 OE2 GLU A 27 11.936 -9.030 13.939 1.00 0.00 O ATOM 0 H GLU A 27 11.663 -11.601 9.415 1.00 0.00 H new ATOM 0 HA GLU A 27 9.283 -11.970 11.199 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.564 -10.045 10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.079 -9.348 11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.318 -11.577 12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.005 -11.199 12.659 1.00 0.00 H new ATOM 313 N LYS A 28 7.556 -10.777 9.910 1.00 0.00 N ATOM 314 CA LYS A 28 6.498 -10.161 9.053 1.00 0.00 C ATOM 315 C LYS A 28 6.072 -8.818 9.658 1.00 0.00 C ATOM 316 O LYS A 28 5.028 -8.703 10.276 1.00 0.00 O ATOM 317 CB LYS A 28 5.338 -11.162 9.061 1.00 0.00 C ATOM 318 CG LYS A 28 5.583 -12.241 8.002 1.00 0.00 C ATOM 319 CD LYS A 28 4.919 -13.550 8.438 1.00 0.00 C ATOM 320 CE LYS A 28 3.693 -13.827 7.560 1.00 0.00 C ATOM 321 NZ LYS A 28 2.570 -13.087 8.208 1.00 0.00 N ATOM 0 H LYS A 28 7.212 -11.252 10.745 1.00 0.00 H new ATOM 0 HA LYS A 28 6.839 -9.963 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.246 -11.619 10.046 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.399 -10.647 8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.180 -11.920 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.654 -12.393 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.629 -14.373 8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.622 -13.487 9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.854 -13.482 6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.481 -14.895 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.781 -13.740 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.895 -12.683 9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.251 -12.321 7.581 1.00 0.00 H new ATOM 335 N ARG A 29 6.883 -7.804 9.490 1.00 0.00 N ATOM 336 CA ARG A 29 6.549 -6.463 10.055 1.00 0.00 C ATOM 337 C ARG A 29 6.232 -5.476 8.925 1.00 0.00 C ATOM 338 O ARG A 29 5.818 -5.865 7.848 1.00 0.00 O ATOM 339 CB ARG A 29 7.808 -6.034 10.817 1.00 0.00 C ATOM 340 CG ARG A 29 7.410 -5.377 12.142 1.00 0.00 C ATOM 341 CD ARG A 29 8.286 -4.142 12.385 1.00 0.00 C ATOM 342 NE ARG A 29 7.457 -3.234 13.230 1.00 0.00 N ATOM 343 CZ ARG A 29 8.028 -2.286 13.923 1.00 0.00 C ATOM 344 NH1 ARG A 29 8.331 -2.487 15.179 1.00 0.00 N ATOM 345 NH2 ARG A 29 8.296 -1.137 13.359 1.00 0.00 N ATOM 0 H ARG A 29 7.767 -7.849 8.983 1.00 0.00 H new ATOM 0 HA ARG A 29 5.672 -6.489 10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.443 -6.899 11.005 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.390 -5.337 10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.359 -5.091 12.117 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.528 -6.086 12.961 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.214 -4.411 12.889 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.561 -3.663 11.445 1.00 0.00 H new ATOM 0 HE ARG A 29 6.445 -3.354 13.266 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.121 -3.384 15.617 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.777 -1.747 15.721 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.059 -0.982 12.379 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.742 -0.395 13.899 1.00 0.00 H new ATOM 359 N LEU A 30 6.419 -4.201 9.166 1.00 0.00 N ATOM 360 CA LEU A 30 6.126 -3.186 8.113 1.00 0.00 C ATOM 361 C LEU A 30 7.396 -2.401 7.744 1.00 0.00 C ATOM 362 O LEU A 30 8.360 -2.367 8.487 1.00 0.00 O ATOM 363 CB LEU A 30 5.058 -2.267 8.737 1.00 0.00 C ATOM 364 CG LEU A 30 5.707 -1.235 9.666 1.00 0.00 C ATOM 365 CD1 LEU A 30 5.179 0.161 9.328 1.00 0.00 C ATOM 366 CD2 LEU A 30 5.366 -1.568 11.121 1.00 0.00 C ATOM 0 H LEU A 30 6.762 -3.822 10.048 1.00 0.00 H new ATOM 0 HA LEU A 30 5.776 -3.640 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.505 -1.757 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.338 -2.865 9.296 1.00 0.00 H new ATOM 0 HG LEU A 30 6.788 -1.258 9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.641 0.895 9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.422 0.401 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.097 0.183 9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.828 -0.833 11.780 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.285 -1.547 11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.742 -2.562 11.365 1.00 0.00 H new ATOM 378 N ILE A 31 7.386 -1.764 6.601 1.00 0.00 N ATOM 379 CA ILE A 31 8.564 -0.960 6.154 1.00 0.00 C ATOM 380 C ILE A 31 8.074 0.406 5.661 1.00 0.00 C ATOM 381 O ILE A 31 7.392 0.506 4.660 1.00 0.00 O ATOM 382 CB ILE A 31 9.204 -1.763 5.012 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.699 -3.108 5.555 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.388 -0.980 4.433 1.00 0.00 C ATOM 385 CD1 ILE A 31 8.984 -4.248 4.829 1.00 0.00 C ATOM 0 H ILE A 31 6.601 -1.767 5.950 1.00 0.00 H new ATOM 0 HA ILE A 31 9.284 -0.783 6.953 1.00 0.00 H new ATOM 0 HB ILE A 31 8.466 -1.933 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.777 -3.194 5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.510 -3.171 6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.841 -1.551 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.038 -0.022 4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.128 -0.809 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.337 -5.204 5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.909 -4.165 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.195 -4.189 3.761 1.00 0.00 H new ATOM 397 N LYS A 32 8.406 1.452 6.369 1.00 0.00 N ATOM 398 CA LYS A 32 7.940 2.821 5.959 1.00 0.00 C ATOM 399 C LYS A 32 8.892 3.446 4.932 1.00 0.00 C ATOM 400 O LYS A 32 10.067 3.132 4.878 1.00 0.00 O ATOM 401 CB LYS A 32 7.860 3.682 7.240 1.00 0.00 C ATOM 402 CG LYS A 32 8.980 3.333 8.232 1.00 0.00 C ATOM 403 CD LYS A 32 8.443 2.357 9.285 1.00 0.00 C ATOM 404 CE LYS A 32 9.609 1.593 9.923 1.00 0.00 C ATOM 405 NZ LYS A 32 9.123 0.190 10.068 1.00 0.00 N ATOM 0 H LYS A 32 8.978 1.424 7.213 1.00 0.00 H new ATOM 0 HA LYS A 32 6.963 2.761 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.926 4.737 6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.892 3.534 7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.823 2.887 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.349 4.238 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.890 2.901 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.746 1.657 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.500 1.639 9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.877 2.019 10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.812 -0.361 10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.207 0.189 10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.011 -0.238 9.127 1.00 0.00 H new ATOM 419 N THR A 33 8.369 4.321 4.106 1.00 0.00 N ATOM 420 CA THR A 33 9.200 4.979 3.050 1.00 0.00 C ATOM 421 C THR A 33 8.913 6.489 3.010 1.00 0.00 C ATOM 422 O THR A 33 7.916 6.947 3.535 1.00 0.00 O ATOM 423 CB THR A 33 8.746 4.302 1.752 1.00 0.00 C ATOM 424 OG1 THR A 33 9.270 2.982 1.699 1.00 0.00 O ATOM 425 CG2 THR A 33 9.241 5.096 0.544 1.00 0.00 C ATOM 0 H THR A 33 7.391 4.610 4.120 1.00 0.00 H new ATOM 0 HA THR A 33 10.271 4.875 3.222 1.00 0.00 H new ATOM 0 HB THR A 33 7.657 4.266 1.731 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.196 3.010 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.913 4.606 -0.373 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.834 6.106 0.581 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.330 5.143 0.561 1.00 0.00 H new ATOM 433 N TRP A 34 9.779 7.266 2.391 1.00 0.00 N ATOM 434 CA TRP A 34 9.553 8.751 2.314 1.00 0.00 C ATOM 435 C TRP A 34 10.097 9.320 0.992 1.00 0.00 C ATOM 436 O TRP A 34 10.634 10.412 0.956 1.00 0.00 O ATOM 437 CB TRP A 34 10.330 9.349 3.491 1.00 0.00 C ATOM 438 CG TRP A 34 9.907 8.710 4.771 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.878 9.118 5.543 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.484 7.553 5.434 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.793 8.290 6.648 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.765 7.308 6.625 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.557 6.704 5.117 1.00 0.00 C ATOM 444 CZ2 TRP A 34 10.101 6.256 7.476 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.898 5.643 5.969 1.00 0.00 C ATOM 446 CH2 TRP A 34 11.173 5.421 7.147 1.00 0.00 C ATOM 0 H TRP A 34 10.631 6.936 1.937 1.00 0.00 H new ATOM 0 HA TRP A 34 8.490 8.990 2.356 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.400 9.203 3.340 1.00 0.00 H new ATOM 0 HB3 TRP A 34 10.158 10.424 3.540 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.227 9.954 5.333 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.099 8.392 7.388 1.00 0.00 H new ATOM 0 HE3 TRP A 34 12.123 6.869 4.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.538 6.087 8.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.723 4.994 5.716 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.442 4.605 7.801 1.00 0.00 H new ATOM 457 N SER A 35 9.969 8.593 -0.091 1.00 0.00 N ATOM 458 CA SER A 35 10.490 9.102 -1.399 1.00 0.00 C ATOM 459 C SER A 35 9.373 9.807 -2.196 1.00 0.00 C ATOM 460 O SER A 35 8.736 10.712 -1.693 1.00 0.00 O ATOM 461 CB SER A 35 11.007 7.860 -2.125 1.00 0.00 C ATOM 462 OG SER A 35 11.885 8.263 -3.168 1.00 0.00 O ATOM 0 H SER A 35 9.529 7.674 -0.127 1.00 0.00 H new ATOM 0 HA SER A 35 11.276 9.847 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.528 7.206 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.173 7.289 -2.535 1.00 0.00 H new ATOM 0 HG SER A 35 11.826 7.626 -3.910 1.00 0.00 H new ATOM 468 N ARG A 36 9.138 9.423 -3.433 1.00 0.00 N ATOM 469 CA ARG A 36 8.071 10.098 -4.238 1.00 0.00 C ATOM 470 C ARG A 36 7.213 9.065 -4.982 1.00 0.00 C ATOM 471 O ARG A 36 6.013 8.994 -4.786 1.00 0.00 O ATOM 472 CB ARG A 36 8.826 10.986 -5.235 1.00 0.00 C ATOM 473 CG ARG A 36 9.338 12.243 -4.524 1.00 0.00 C ATOM 474 CD ARG A 36 10.839 12.102 -4.251 1.00 0.00 C ATOM 475 NE ARG A 36 11.138 13.109 -3.194 1.00 0.00 N ATOM 476 CZ ARG A 36 11.286 12.732 -1.950 1.00 0.00 C ATOM 477 NH1 ARG A 36 10.361 13.008 -1.070 1.00 0.00 N ATOM 478 NH2 ARG A 36 12.361 12.080 -1.590 1.00 0.00 N ATOM 0 H ARG A 36 9.637 8.675 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 36 7.390 10.672 -3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.662 10.435 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.169 11.265 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.151 13.123 -5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.800 12.388 -3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.086 11.094 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.423 12.291 -5.152 1.00 0.00 H new ATOM 0 HE ARG A 36 11.227 14.095 -3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.524 13.517 -1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.476 12.714 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.082 11.866 -2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.478 11.785 -0.621 1.00 0.00 H new ATOM 492 N ARG A 37 7.814 8.267 -5.835 1.00 0.00 N ATOM 493 CA ARG A 37 7.026 7.242 -6.596 1.00 0.00 C ATOM 494 C ARG A 37 7.140 5.865 -5.925 1.00 0.00 C ATOM 495 O ARG A 37 7.174 4.850 -6.592 1.00 0.00 O ATOM 496 CB ARG A 37 7.652 7.212 -7.994 1.00 0.00 C ATOM 497 CG ARG A 37 7.445 8.564 -8.686 1.00 0.00 C ATOM 498 CD ARG A 37 8.798 9.116 -9.147 1.00 0.00 C ATOM 499 NE ARG A 37 9.196 8.258 -10.301 1.00 0.00 N ATOM 500 CZ ARG A 37 9.218 8.755 -11.509 1.00 0.00 C ATOM 501 NH1 ARG A 37 10.337 9.215 -12.006 1.00 0.00 N ATOM 502 NH2 ARG A 37 8.121 8.791 -12.221 1.00 0.00 N ATOM 0 H ARG A 37 8.814 8.281 -6.037 1.00 0.00 H new ATOM 0 HA ARG A 37 5.964 7.487 -6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.717 6.990 -7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.201 6.417 -8.587 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.777 8.449 -9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.968 9.266 -8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.717 10.162 -9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.537 9.068 -8.347 1.00 0.00 H new ATOM 0 HE ARG A 37 9.451 7.283 -10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.192 9.186 -11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.355 9.603 -12.949 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.249 8.431 -11.833 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.138 9.179 -13.164 1.00 0.00 H new ATOM 516 N SER A 38 7.197 5.835 -4.611 1.00 0.00 N ATOM 517 CA SER A 38 7.311 4.549 -3.847 1.00 0.00 C ATOM 518 C SER A 38 6.513 3.413 -4.511 1.00 0.00 C ATOM 519 O SER A 38 5.322 3.526 -4.740 1.00 0.00 O ATOM 520 CB SER A 38 6.730 4.884 -2.472 1.00 0.00 C ATOM 521 OG SER A 38 7.725 5.532 -1.695 1.00 0.00 O ATOM 0 H SER A 38 7.168 6.669 -4.024 1.00 0.00 H new ATOM 0 HA SER A 38 8.340 4.192 -3.803 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.857 5.528 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.396 3.974 -1.973 1.00 0.00 H new ATOM 0 HG SER A 38 7.573 6.500 -1.710 1.00 0.00 H new ATOM 527 N THR A 39 7.172 2.320 -4.822 1.00 0.00 N ATOM 528 CA THR A 39 6.476 1.165 -5.475 1.00 0.00 C ATOM 529 C THR A 39 6.756 -0.137 -4.709 1.00 0.00 C ATOM 530 O THR A 39 7.686 -0.223 -3.926 1.00 0.00 O ATOM 531 CB THR A 39 7.067 1.096 -6.892 1.00 0.00 C ATOM 532 OG1 THR A 39 6.649 2.237 -7.635 1.00 0.00 O ATOM 533 CG2 THR A 39 6.588 -0.177 -7.601 1.00 0.00 C ATOM 0 H THR A 39 8.167 2.179 -4.650 1.00 0.00 H new ATOM 0 HA THR A 39 5.394 1.292 -5.488 1.00 0.00 H new ATOM 0 HB THR A 39 8.155 1.078 -6.824 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.033 3.046 -7.236 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.012 -0.216 -8.604 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.911 -1.051 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.500 -0.169 -7.667 1.00 0.00 H new ATOM 541 N ILE A 40 5.951 -1.147 -4.934 1.00 0.00 N ATOM 542 CA ILE A 40 6.148 -2.462 -4.229 1.00 0.00 C ATOM 543 C ILE A 40 7.459 -3.134 -4.678 1.00 0.00 C ATOM 544 O ILE A 40 8.047 -2.767 -5.679 1.00 0.00 O ATOM 545 CB ILE A 40 4.951 -3.328 -4.645 1.00 0.00 C ATOM 546 CG1 ILE A 40 3.649 -2.534 -4.532 1.00 0.00 C ATOM 547 CG2 ILE A 40 4.856 -4.553 -3.740 1.00 0.00 C ATOM 548 CD1 ILE A 40 2.931 -2.582 -5.876 1.00 0.00 C ATOM 0 H ILE A 40 5.161 -1.121 -5.578 1.00 0.00 H new ATOM 0 HA ILE A 40 6.210 -2.329 -3.149 1.00 0.00 H new ATOM 0 HB ILE A 40 5.099 -3.638 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.016 -2.954 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.859 -1.502 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.004 -5.163 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.771 -5.140 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.725 -4.233 -2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.000 -2.020 -5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.567 -2.143 -6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.712 -3.618 -6.135 1.00 0.00 H new ATOM 560 N VAL A 41 7.914 -4.124 -3.941 1.00 0.00 N ATOM 561 CA VAL A 41 9.185 -4.840 -4.312 1.00 0.00 C ATOM 562 C VAL A 41 8.920 -6.336 -4.466 1.00 0.00 C ATOM 563 O VAL A 41 7.792 -6.757 -4.453 1.00 0.00 O ATOM 564 CB VAL A 41 10.186 -4.600 -3.158 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.388 -3.824 -3.690 1.00 0.00 C ATOM 566 CG2 VAL A 41 9.546 -3.804 -2.010 1.00 0.00 C ATOM 0 H VAL A 41 7.459 -4.469 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 41 9.578 -4.470 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 41 10.494 -5.571 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.097 -3.652 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.871 -4.399 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.055 -2.866 -4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.279 -3.655 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.211 -2.836 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.693 -4.356 -1.616 1.00 0.00 H new ATOM 576 N PRO A 42 9.976 -7.095 -4.616 1.00 0.00 N ATOM 577 CA PRO A 42 9.837 -8.557 -4.752 1.00 0.00 C ATOM 578 C PRO A 42 9.829 -9.243 -3.375 1.00 0.00 C ATOM 579 O PRO A 42 9.206 -10.271 -3.189 1.00 0.00 O ATOM 580 CB PRO A 42 11.085 -8.935 -5.528 1.00 0.00 C ATOM 581 CG PRO A 42 12.104 -7.885 -5.218 1.00 0.00 C ATOM 582 CD PRO A 42 11.378 -6.672 -4.714 1.00 0.00 C ATOM 0 HA PRO A 42 8.909 -8.859 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.442 -9.922 -5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.881 -8.975 -6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.809 -8.247 -4.469 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.683 -7.640 -6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.764 -6.352 -3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 42 11.491 -5.830 -5.397 1.00 0.00 H new ATOM 590 N GLU A 43 10.523 -8.681 -2.419 1.00 0.00 N ATOM 591 CA GLU A 43 10.577 -9.280 -1.051 1.00 0.00 C ATOM 592 C GLU A 43 9.450 -8.732 -0.164 1.00 0.00 C ATOM 593 O GLU A 43 9.490 -8.872 1.041 1.00 0.00 O ATOM 594 CB GLU A 43 11.938 -8.857 -0.488 1.00 0.00 C ATOM 595 CG GLU A 43 13.059 -9.604 -1.213 1.00 0.00 C ATOM 596 CD GLU A 43 13.632 -10.687 -0.295 1.00 0.00 C ATOM 597 OE1 GLU A 43 14.553 -10.382 0.445 1.00 0.00 O ATOM 598 OE2 GLU A 43 13.141 -11.803 -0.349 1.00 0.00 O ATOM 0 H GLU A 43 11.061 -7.822 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 43 10.453 -10.363 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.071 -7.782 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.981 -9.069 0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.676 -10.054 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.845 -8.907 -1.505 1.00 0.00 H new ATOM 605 N MET A 44 8.452 -8.108 -0.742 1.00 0.00 N ATOM 606 CA MET A 44 7.330 -7.550 0.098 1.00 0.00 C ATOM 607 C MET A 44 6.154 -8.534 0.206 1.00 0.00 C ATOM 608 O MET A 44 5.116 -8.201 0.744 1.00 0.00 O ATOM 609 CB MET A 44 6.867 -6.279 -0.617 1.00 0.00 C ATOM 610 CG MET A 44 6.636 -6.554 -2.103 1.00 0.00 C ATOM 611 SD MET A 44 5.445 -7.902 -2.332 1.00 0.00 S ATOM 612 CE MET A 44 6.280 -8.775 -3.677 1.00 0.00 C ATOM 0 H MET A 44 8.360 -7.959 -1.747 1.00 0.00 H new ATOM 0 HA MET A 44 7.675 -7.359 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 44 5.947 -5.913 -0.162 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.615 -5.495 -0.498 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.269 -5.651 -2.591 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.581 -6.813 -2.581 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.660 -9.607 -4.011 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.446 -8.089 -4.508 1.00 0.00 H new ATOM 0 HE3 MET A 44 7.238 -9.156 -3.324 1.00 0.00 H new ATOM 622 N VAL A 45 6.294 -9.722 -0.330 1.00 0.00 N ATOM 623 CA VAL A 45 5.177 -10.725 -0.309 1.00 0.00 C ATOM 624 C VAL A 45 4.680 -11.059 1.118 1.00 0.00 C ATOM 625 O VAL A 45 3.736 -11.811 1.281 1.00 0.00 O ATOM 626 CB VAL A 45 5.783 -11.978 -0.969 1.00 0.00 C ATOM 627 CG1 VAL A 45 4.709 -13.054 -1.132 1.00 0.00 C ATOM 628 CG2 VAL A 45 6.360 -11.622 -2.350 1.00 0.00 C ATOM 0 H VAL A 45 7.146 -10.046 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 45 4.299 -10.336 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 45 6.582 -12.356 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.146 -13.936 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.310 -13.322 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.904 -12.672 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.786 -12.515 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.566 -11.232 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.138 -10.867 -2.236 1.00 0.00 H new ATOM 638 N GLY A 46 5.279 -10.515 2.143 1.00 0.00 N ATOM 639 CA GLY A 46 4.812 -10.808 3.525 1.00 0.00 C ATOM 640 C GLY A 46 5.108 -9.610 4.430 1.00 0.00 C ATOM 641 O GLY A 46 5.420 -9.775 5.594 1.00 0.00 O ATOM 0 H GLY A 46 6.074 -9.879 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.743 -11.019 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.311 -11.698 3.908 1.00 0.00 H new ATOM 645 N HIS A 47 5.032 -8.403 3.908 1.00 0.00 N ATOM 646 CA HIS A 47 5.334 -7.211 4.763 1.00 0.00 C ATOM 647 C HIS A 47 4.342 -6.082 4.495 1.00 0.00 C ATOM 648 O HIS A 47 3.810 -5.953 3.410 1.00 0.00 O ATOM 649 CB HIS A 47 6.750 -6.767 4.373 1.00 0.00 C ATOM 650 CG HIS A 47 7.690 -7.943 4.409 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.006 -8.881 3.463 1.00 0.00 N flip ATOM 652 CD2 HIS A 47 8.430 -8.271 5.533 1.00 0.00 C flip ATOM 653 CE1 HIS A 47 8.928 -9.783 3.986 1.00 0.00 C flip ATOM 654 NE2 HIS A 47 9.149 -9.370 5.236 1.00 0.00 N flip ATOM 0 H HIS A 47 4.778 -8.197 2.942 1.00 0.00 H new ATOM 0 HA HIS A 47 5.258 -7.458 5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.740 -6.330 3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.098 -5.993 5.057 1.00 0.00 H new ATOM 0 HD1 HIS A 47 7.624 -8.914 2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.430 -7.742 6.475 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.369 -10.634 3.488 1.00 0.00 H new ATOM 662 N THR A 48 4.119 -5.249 5.478 1.00 0.00 N ATOM 663 CA THR A 48 3.188 -4.101 5.313 1.00 0.00 C ATOM 664 C THR A 48 4.035 -2.855 5.035 1.00 0.00 C ATOM 665 O THR A 48 4.329 -2.079 5.921 1.00 0.00 O ATOM 666 CB THR A 48 2.437 -3.965 6.656 1.00 0.00 C ATOM 667 OG1 THR A 48 2.744 -5.061 7.512 1.00 0.00 O ATOM 668 CG2 THR A 48 0.931 -3.934 6.401 1.00 0.00 C ATOM 0 H THR A 48 4.550 -5.319 6.400 1.00 0.00 H new ATOM 0 HA THR A 48 2.479 -4.233 4.496 1.00 0.00 H new ATOM 0 HB THR A 48 2.751 -3.039 7.137 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.262 -4.959 8.359 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.403 -3.838 7.350 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.687 -3.085 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.626 -4.857 5.908 1.00 0.00 H new ATOM 676 N ILE A 49 4.461 -2.679 3.813 1.00 0.00 N ATOM 677 CA ILE A 49 5.329 -1.508 3.489 1.00 0.00 C ATOM 678 C ILE A 49 4.500 -0.233 3.366 1.00 0.00 C ATOM 679 O ILE A 49 3.655 -0.116 2.497 1.00 0.00 O ATOM 680 CB ILE A 49 6.005 -1.862 2.157 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.075 -2.929 2.405 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.666 -0.615 1.558 1.00 0.00 C ATOM 683 CD1 ILE A 49 7.140 -3.881 1.212 1.00 0.00 C ATOM 0 H ILE A 49 4.247 -3.293 3.027 1.00 0.00 H new ATOM 0 HA ILE A 49 6.062 -1.316 4.272 1.00 0.00 H new ATOM 0 HB ILE A 49 5.255 -2.240 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.045 -2.456 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.844 -3.485 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.143 -0.875 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.909 0.150 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.416 -0.233 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.903 -4.639 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.172 -4.365 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.392 -3.320 0.312 1.00 0.00 H new ATOM 695 N ALA A 50 4.749 0.731 4.221 1.00 0.00 N ATOM 696 CA ALA A 50 3.989 2.005 4.137 1.00 0.00 C ATOM 697 C ALA A 50 4.563 2.851 3.008 1.00 0.00 C ATOM 698 O ALA A 50 5.350 3.756 3.221 1.00 0.00 O ATOM 699 CB ALA A 50 4.142 2.693 5.493 1.00 0.00 C ATOM 0 H ALA A 50 5.443 0.685 4.967 1.00 0.00 H new ATOM 0 HA ALA A 50 2.933 1.847 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.600 3.638 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.738 2.050 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.198 2.882 5.688 1.00 0.00 H new ATOM 705 N VAL A 51 4.176 2.535 1.801 1.00 0.00 N ATOM 706 CA VAL A 51 4.689 3.286 0.617 1.00 0.00 C ATOM 707 C VAL A 51 4.361 4.773 0.753 1.00 0.00 C ATOM 708 O VAL A 51 3.223 5.150 0.970 1.00 0.00 O ATOM 709 CB VAL A 51 3.979 2.682 -0.609 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.295 1.187 -0.712 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.461 2.878 -0.491 1.00 0.00 C ATOM 0 H VAL A 51 3.522 1.784 1.582 1.00 0.00 H new ATOM 0 HA VAL A 51 5.772 3.204 0.526 1.00 0.00 H new ATOM 0 HB VAL A 51 4.337 3.189 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.789 0.767 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.371 1.049 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.950 0.679 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.970 2.447 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.099 2.383 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.235 3.943 -0.436 1.00 0.00 H new ATOM 721 N TYR A 52 5.346 5.620 0.628 1.00 0.00 N ATOM 722 CA TYR A 52 5.078 7.079 0.745 1.00 0.00 C ATOM 723 C TYR A 52 4.410 7.572 -0.539 1.00 0.00 C ATOM 724 O TYR A 52 5.047 7.711 -1.568 1.00 0.00 O ATOM 725 CB TYR A 52 6.447 7.741 0.948 1.00 0.00 C ATOM 726 CG TYR A 52 6.262 9.179 1.378 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.425 9.491 2.457 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.936 10.200 0.703 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.264 10.822 2.857 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.778 11.531 1.102 1.00 0.00 C ATOM 731 CZ TYR A 52 5.941 11.842 2.180 1.00 0.00 C ATOM 732 OH TYR A 52 5.784 13.155 2.578 1.00 0.00 O ATOM 0 H TYR A 52 6.318 5.366 0.451 1.00 0.00 H new ATOM 0 HA TYR A 52 4.409 7.317 1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.016 7.197 1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.022 7.700 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.903 8.703 2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.581 9.961 -0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.617 11.062 3.688 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.301 12.318 0.579 1.00 0.00 H new ATOM 0 HH TYR A 52 5.410 13.679 1.839 1.00 0.00 H new ATOM 742 N ASN A 53 3.127 7.843 -0.483 1.00 0.00 N ATOM 743 CA ASN A 53 2.402 8.339 -1.696 1.00 0.00 C ATOM 744 C ASN A 53 2.854 9.771 -2.045 1.00 0.00 C ATOM 745 O ASN A 53 2.384 10.366 -2.997 1.00 0.00 O ATOM 746 CB ASN A 53 0.922 8.312 -1.291 1.00 0.00 C ATOM 747 CG ASN A 53 0.058 8.949 -2.384 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.272 8.311 -3.364 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.323 10.192 -2.255 1.00 0.00 N ATOM 0 H ASN A 53 2.550 7.742 0.352 1.00 0.00 H new ATOM 0 HA ASN A 53 2.597 7.733 -2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.604 7.284 -1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.785 8.848 -0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.898 10.627 -2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.046 10.728 -1.432 1.00 0.00 H new ATOM 756 N GLY A 54 3.747 10.332 -1.267 1.00 0.00 N ATOM 757 CA GLY A 54 4.214 11.724 -1.515 1.00 0.00 C ATOM 758 C GLY A 54 3.859 12.564 -0.285 1.00 0.00 C ATOM 759 O GLY A 54 4.434 13.609 -0.045 1.00 0.00 O ATOM 0 H GLY A 54 4.175 9.876 -0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.290 11.740 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.739 12.133 -2.407 1.00 0.00 H new ATOM 763 N LYS A 55 2.912 12.097 0.495 1.00 0.00 N ATOM 764 CA LYS A 55 2.494 12.834 1.724 1.00 0.00 C ATOM 765 C LYS A 55 2.228 11.861 2.886 1.00 0.00 C ATOM 766 O LYS A 55 2.367 12.220 4.039 1.00 0.00 O ATOM 767 CB LYS A 55 1.198 13.570 1.352 1.00 0.00 C ATOM 768 CG LYS A 55 0.325 12.705 0.435 1.00 0.00 C ATOM 769 CD LYS A 55 -1.103 13.254 0.423 1.00 0.00 C ATOM 770 CE LYS A 55 -1.994 12.350 -0.435 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.371 12.900 -0.282 1.00 0.00 N ATOM 0 H LYS A 55 2.407 11.227 0.328 1.00 0.00 H new ATOM 0 HA LYS A 55 3.275 13.520 2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.645 13.822 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.438 14.509 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.733 12.701 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.326 11.672 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.492 13.306 1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.110 14.270 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.679 12.362 -1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.944 11.314 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.037 12.330 -0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.648 12.869 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.391 13.885 -0.617 1.00 0.00 H new ATOM 785 N GLN A 56 1.816 10.648 2.595 1.00 0.00 N ATOM 786 CA GLN A 56 1.507 9.675 3.685 1.00 0.00 C ATOM 787 C GLN A 56 2.169 8.311 3.444 1.00 0.00 C ATOM 788 O GLN A 56 2.429 7.916 2.323 1.00 0.00 O ATOM 789 CB GLN A 56 -0.027 9.586 3.653 1.00 0.00 C ATOM 790 CG GLN A 56 -0.512 8.204 3.199 1.00 0.00 C ATOM 791 CD GLN A 56 -1.252 7.515 4.348 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.584 7.120 5.400 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -2.452 7.331 4.290 1.00 0.00 N flip ATOM 0 H GLN A 56 1.681 10.293 1.648 1.00 0.00 H new ATOM 0 HA GLN A 56 1.892 9.990 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.424 9.802 4.645 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.421 10.348 2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.171 8.304 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.336 7.596 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.976 7.638 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.935 6.870 5.061 1.00 0.00 H new ATOM 802 N HIS A 57 2.401 7.583 4.508 1.00 0.00 N ATOM 803 CA HIS A 57 3.001 6.225 4.396 1.00 0.00 C ATOM 804 C HIS A 57 1.873 5.195 4.522 1.00 0.00 C ATOM 805 O HIS A 57 1.346 4.982 5.596 1.00 0.00 O ATOM 806 CB HIS A 57 3.968 6.089 5.586 1.00 0.00 C ATOM 807 CG HIS A 57 4.646 7.403 5.884 1.00 0.00 C ATOM 808 ND1 HIS A 57 4.326 8.161 7.001 1.00 0.00 N ATOM 809 CD2 HIS A 57 5.617 8.108 5.221 1.00 0.00 C ATOM 810 CE1 HIS A 57 5.092 9.265 6.974 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.897 9.284 5.910 1.00 0.00 N ATOM 0 H HIS A 57 2.196 7.880 5.462 1.00 0.00 H new ATOM 0 HA HIS A 57 3.520 6.071 3.450 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.422 5.750 6.466 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.719 5.330 5.364 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.635 7.924 7.713 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.093 7.797 4.303 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.060 10.043 7.723 1.00 0.00 H new ATOM 819 N VAL A 58 1.484 4.570 3.440 1.00 0.00 N ATOM 820 CA VAL A 58 0.374 3.566 3.513 1.00 0.00 C ATOM 821 C VAL A 58 0.958 2.156 3.672 1.00 0.00 C ATOM 822 O VAL A 58 1.398 1.568 2.702 1.00 0.00 O ATOM 823 CB VAL A 58 -0.378 3.698 2.179 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.614 2.794 2.195 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.819 5.152 1.972 1.00 0.00 C ATOM 0 H VAL A 58 1.884 4.709 2.512 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.287 3.736 4.363 1.00 0.00 H new ATOM 0 HB VAL A 58 0.284 3.400 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.146 2.889 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.305 1.758 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.271 3.091 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.351 5.239 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.477 5.452 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.058 5.799 1.956 1.00 0.00 H new ATOM 835 N PRO A 59 0.960 1.661 4.898 1.00 0.00 N ATOM 836 CA PRO A 59 1.519 0.310 5.186 1.00 0.00 C ATOM 837 C PRO A 59 0.658 -0.751 4.519 1.00 0.00 C ATOM 838 O PRO A 59 -0.326 -1.217 5.061 1.00 0.00 O ATOM 839 CB PRO A 59 1.467 0.211 6.710 1.00 0.00 C ATOM 840 CG PRO A 59 0.394 1.166 7.110 1.00 0.00 C ATOM 841 CD PRO A 59 0.438 2.293 6.113 1.00 0.00 C ATOM 0 HA PRO A 59 2.530 0.161 4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.236 -0.804 7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.424 0.479 7.158 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.581 0.680 7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.560 1.535 8.122 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.551 2.721 5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.084 3.103 6.452 1.00 0.00 H new ATOM 849 N VAL A 60 1.028 -1.110 3.330 1.00 0.00 N ATOM 850 CA VAL A 60 0.248 -2.126 2.572 1.00 0.00 C ATOM 851 C VAL A 60 0.891 -3.501 2.694 1.00 0.00 C ATOM 852 O VAL A 60 1.993 -3.719 2.220 1.00 0.00 O ATOM 853 CB VAL A 60 0.292 -1.667 1.110 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.423 -2.699 0.236 1.00 0.00 C ATOM 855 CG2 VAL A 60 -0.400 -0.308 0.972 1.00 0.00 C ATOM 0 H VAL A 60 1.845 -0.742 2.842 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.770 -2.209 2.952 1.00 0.00 H new ATOM 0 HB VAL A 60 1.330 -1.572 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.394 -2.377 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.075 -3.664 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.460 -2.793 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.366 0.014 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.439 -0.394 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.111 0.426 1.595 1.00 0.00 H new ATOM 865 N TYR A 61 0.206 -4.445 3.288 1.00 0.00 N ATOM 866 CA TYR A 61 0.788 -5.808 3.375 1.00 0.00 C ATOM 867 C TYR A 61 0.722 -6.430 1.991 1.00 0.00 C ATOM 868 O TYR A 61 -0.342 -6.757 1.495 1.00 0.00 O ATOM 869 CB TYR A 61 -0.064 -6.609 4.352 1.00 0.00 C ATOM 870 CG TYR A 61 0.673 -7.887 4.678 1.00 0.00 C ATOM 871 CD1 TYR A 61 0.872 -8.868 3.688 1.00 0.00 C ATOM 872 CD2 TYR A 61 1.169 -8.090 5.966 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.558 -10.040 3.992 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.859 -9.263 6.272 1.00 0.00 C ATOM 875 CZ TYR A 61 2.055 -10.242 5.288 1.00 0.00 C ATOM 876 OH TYR A 61 2.735 -11.403 5.595 1.00 0.00 O ATOM 0 H TYR A 61 -0.716 -4.330 3.709 1.00 0.00 H new ATOM 0 HA TYR A 61 1.823 -5.790 3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.247 -6.033 5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.037 -6.832 3.915 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.491 -8.711 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.019 -7.338 6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.707 -10.792 3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.243 -9.417 7.269 1.00 0.00 H new ATOM 0 HH TYR A 61 2.398 -12.136 5.039 1.00 0.00 H new ATOM 886 N ILE A 62 1.841 -6.576 1.350 1.00 0.00 N ATOM 887 CA ILE A 62 1.832 -7.153 -0.011 1.00 0.00 C ATOM 888 C ILE A 62 2.041 -8.657 0.037 1.00 0.00 C ATOM 889 O ILE A 62 2.572 -9.201 0.985 1.00 0.00 O ATOM 890 CB ILE A 62 3.004 -6.505 -0.744 1.00 0.00 C ATOM 891 CG1 ILE A 62 2.939 -4.977 -0.610 1.00 0.00 C ATOM 892 CG2 ILE A 62 2.929 -6.892 -2.223 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.093 -4.486 0.267 1.00 0.00 C ATOM 0 H ILE A 62 2.760 -6.320 1.711 1.00 0.00 H new ATOM 0 HA ILE A 62 0.878 -6.970 -0.505 1.00 0.00 H new ATOM 0 HB ILE A 62 3.941 -6.852 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.995 -4.513 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.986 -4.681 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.760 -6.436 -2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.986 -7.976 -2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.988 -6.539 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.043 -3.401 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.017 -4.939 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.042 -4.768 -0.189 1.00 0.00 H new ATOM 905 N THR A 63 1.657 -9.313 -1.013 1.00 0.00 N ATOM 906 CA THR A 63 1.850 -10.777 -1.116 1.00 0.00 C ATOM 907 C THR A 63 2.518 -11.037 -2.473 1.00 0.00 C ATOM 908 O THR A 63 3.110 -10.138 -3.044 1.00 0.00 O ATOM 909 CB THR A 63 0.443 -11.383 -1.018 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.312 -10.683 -0.036 1.00 0.00 O ATOM 911 CG2 THR A 63 0.542 -12.854 -0.618 1.00 0.00 C ATOM 0 H THR A 63 1.207 -8.886 -1.823 1.00 0.00 H new ATOM 0 HA THR A 63 2.480 -11.215 -0.342 1.00 0.00 H new ATOM 0 HB THR A 63 -0.049 -11.300 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.210 -11.070 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.459 -13.281 -0.549 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.117 -13.397 -1.368 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.038 -12.935 0.349 1.00 0.00 H new ATOM 919 N GLU A 64 2.454 -12.223 -3.007 1.00 0.00 N ATOM 920 CA GLU A 64 3.116 -12.454 -4.326 1.00 0.00 C ATOM 921 C GLU A 64 2.131 -12.172 -5.479 1.00 0.00 C ATOM 922 O GLU A 64 1.997 -12.967 -6.394 1.00 0.00 O ATOM 923 CB GLU A 64 3.537 -13.928 -4.310 1.00 0.00 C ATOM 924 CG GLU A 64 4.930 -14.070 -4.930 1.00 0.00 C ATOM 925 CD GLU A 64 5.667 -15.242 -4.275 1.00 0.00 C ATOM 926 OE1 GLU A 64 5.501 -16.357 -4.742 1.00 0.00 O ATOM 927 OE2 GLU A 64 6.386 -15.004 -3.318 1.00 0.00 O ATOM 0 H GLU A 64 1.982 -13.031 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 64 3.970 -11.794 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.543 -14.304 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.817 -14.529 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.846 -14.235 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.496 -13.149 -4.792 1.00 0.00 H new ATOM 934 N ASN A 65 1.432 -11.055 -5.443 1.00 0.00 N ATOM 935 CA ASN A 65 0.453 -10.751 -6.543 1.00 0.00 C ATOM 936 C ASN A 65 0.162 -9.242 -6.680 1.00 0.00 C ATOM 937 O ASN A 65 -0.067 -8.755 -7.770 1.00 0.00 O ATOM 938 CB ASN A 65 -0.824 -11.500 -6.146 1.00 0.00 C ATOM 939 CG ASN A 65 -1.754 -11.609 -7.356 1.00 0.00 C ATOM 940 OD1 ASN A 65 -1.639 -12.527 -8.144 1.00 0.00 O ATOM 941 ND2 ASN A 65 -2.679 -10.705 -7.539 1.00 0.00 N ATOM 0 H ASN A 65 1.496 -10.350 -4.709 1.00 0.00 H new ATOM 0 HA ASN A 65 0.850 -11.059 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.574 -12.494 -5.776 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.328 -10.975 -5.334 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.304 -10.770 -8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.776 -9.934 -6.878 1.00 0.00 H new ATOM 948 N MET A 66 0.151 -8.505 -5.595 1.00 0.00 N ATOM 949 CA MET A 66 -0.147 -7.036 -5.675 1.00 0.00 C ATOM 950 C MET A 66 1.122 -6.217 -5.979 1.00 0.00 C ATOM 951 O MET A 66 1.085 -5.005 -5.994 1.00 0.00 O ATOM 952 CB MET A 66 -0.711 -6.688 -4.298 1.00 0.00 C ATOM 953 CG MET A 66 -2.058 -7.395 -4.108 1.00 0.00 C ATOM 954 SD MET A 66 -2.669 -7.115 -2.427 1.00 0.00 S ATOM 955 CE MET A 66 -1.497 -8.194 -1.571 1.00 0.00 C ATOM 0 H MET A 66 0.336 -8.856 -4.655 1.00 0.00 H new ATOM 0 HA MET A 66 -0.842 -6.802 -6.481 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.013 -6.995 -3.519 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.837 -5.609 -4.206 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.780 -7.021 -4.834 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.947 -8.464 -4.290 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.014 -9.087 -1.221 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.700 -8.481 -2.256 1.00 0.00 H new ATOM 0 HE3 MET A 66 -1.070 -7.664 -0.719 1.00 0.00 H new ATOM 965 N VAL A 67 2.239 -6.860 -6.225 1.00 0.00 N ATOM 966 CA VAL A 67 3.500 -6.103 -6.522 1.00 0.00 C ATOM 967 C VAL A 67 3.590 -5.704 -8.005 1.00 0.00 C ATOM 968 O VAL A 67 2.869 -6.215 -8.842 1.00 0.00 O ATOM 969 CB VAL A 67 4.643 -7.068 -6.172 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.501 -8.364 -6.978 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.982 -6.412 -6.514 1.00 0.00 C ATOM 0 H VAL A 67 2.333 -7.876 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 67 3.540 -5.176 -5.950 1.00 0.00 H new ATOM 0 HB VAL A 67 4.601 -7.298 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.316 -9.042 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.548 -8.837 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.538 -8.136 -8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.795 -7.094 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.013 -6.182 -7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.093 -5.492 -5.940 1.00 0.00 H new ATOM 981 N GLY A 68 4.499 -4.807 -8.328 1.00 0.00 N ATOM 982 CA GLY A 68 4.676 -4.383 -9.749 1.00 0.00 C ATOM 983 C GLY A 68 4.118 -2.977 -9.975 1.00 0.00 C ATOM 984 O GLY A 68 4.489 -2.311 -10.925 1.00 0.00 O ATOM 0 H GLY A 68 5.125 -4.353 -7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.734 -4.404 -10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.171 -5.089 -10.408 1.00 0.00 H new ATOM 988 N HIS A 69 3.225 -2.518 -9.134 1.00 0.00 N ATOM 989 CA HIS A 69 2.649 -1.157 -9.338 1.00 0.00 C ATOM 990 C HIS A 69 3.097 -0.198 -8.227 1.00 0.00 C ATOM 991 O HIS A 69 4.075 0.507 -8.370 1.00 0.00 O ATOM 992 CB HIS A 69 1.128 -1.361 -9.311 1.00 0.00 C ATOM 993 CG HIS A 69 0.707 -2.187 -10.502 1.00 0.00 C ATOM 994 ND1 HIS A 69 1.107 -3.426 -10.950 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.252 -1.752 -11.401 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.408 -3.751 -12.107 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.397 -2.710 -12.335 1.00 0.00 N flip ATOM 0 H HIS A 69 2.873 -3.024 -8.321 1.00 0.00 H new ATOM 0 HA HIS A 69 2.983 -0.709 -10.274 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.834 -1.860 -8.387 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.621 -0.396 -9.327 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.786 -0.814 -11.360 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.497 -4.652 -12.695 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.043 -2.648 -13.122 1.00 0.00 H new ATOM 1005 N LYS A 70 2.379 -0.165 -7.131 1.00 0.00 N ATOM 1006 CA LYS A 70 2.731 0.742 -5.986 1.00 0.00 C ATOM 1007 C LYS A 70 1.679 0.597 -4.885 1.00 0.00 C ATOM 1008 O LYS A 70 1.964 0.649 -3.703 1.00 0.00 O ATOM 1009 CB LYS A 70 2.735 2.181 -6.536 1.00 0.00 C ATOM 1010 CG LYS A 70 1.597 2.372 -7.543 1.00 0.00 C ATOM 1011 CD LYS A 70 0.379 2.984 -6.844 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.364 3.907 -7.817 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.581 3.148 -8.224 1.00 0.00 N ATOM 0 H LYS A 70 1.549 -0.737 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 70 3.704 0.493 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.626 2.891 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.691 2.391 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.924 3.020 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.329 1.414 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.287 2.195 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.696 3.545 -5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.630 4.850 -7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.256 4.150 -8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.130 3.712 -8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.298 2.250 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.164 2.952 -7.386 1.00 0.00 H new ATOM 1027 N LEU A 71 0.460 0.417 -5.311 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.710 0.263 -4.383 1.00 0.00 C ATOM 1029 C LEU A 71 -2.025 0.038 -5.178 1.00 0.00 C ATOM 1030 O LEU A 71 -3.018 -0.387 -4.617 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.776 1.571 -3.567 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.609 2.633 -4.299 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -3.039 2.636 -3.749 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.980 4.012 -4.079 1.00 0.00 C ATOM 0 H LEU A 71 0.212 0.368 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.591 -0.605 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.213 1.372 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.232 1.948 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.631 2.404 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.628 3.391 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.489 1.655 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.018 2.864 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.570 4.768 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.960 4.237 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.038 4.014 -4.470 1.00 0.00 H new ATOM 1046 N GLY A 72 -2.040 0.310 -6.475 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.281 0.106 -7.287 1.00 0.00 C ATOM 1048 C GLY A 72 -3.561 -1.393 -7.461 1.00 0.00 C ATOM 1049 O GLY A 72 -4.655 -1.785 -7.814 1.00 0.00 O ATOM 0 H GLY A 72 -1.240 0.665 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.128 0.587 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.167 0.578 -8.263 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.591 -2.230 -7.186 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.805 -3.707 -7.299 1.00 0.00 C ATOM 1055 C GLU A 73 -3.485 -4.204 -6.025 1.00 0.00 C ATOM 1056 O GLU A 73 -4.054 -5.278 -5.983 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.407 -4.312 -7.416 1.00 0.00 C ATOM 1058 CG GLU A 73 -0.938 -4.251 -8.866 1.00 0.00 C ATOM 1059 CD GLU A 73 -1.013 -5.646 -9.490 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -2.071 -5.998 -9.985 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -0.010 -6.340 -9.464 1.00 0.00 O ATOM 0 H GLU A 73 -1.656 -1.953 -6.887 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.431 -3.978 -8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.711 -3.770 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.418 -5.346 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.559 -3.555 -9.430 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.084 -3.875 -8.912 1.00 0.00 H new