USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 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 1 THR N :NH3+ 135:sc= 0.00278 (180deg=-1.46!) USER MOD Set 1.2: A 17 THR OG1 : rot 62:sc= 0.735 USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 178:sc= 0.203 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00777) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.41) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -90:sc= 0.519 USER MOD Single : A 35 SER OG : rot -66:sc= 0.496 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -177:sc= 0 (180deg=-0.00744) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 174:sc= 0.325 USER MOD Single : A 47 GLN : amide:sc= 0.0155 X(o=0.015,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -19.818 3.254 -16.075 1.00 0.00 N ATOM 2 CA THR A 1 -21.272 2.978 -16.179 1.00 0.00 C ATOM 3 C THR A 1 -21.586 1.436 -16.231 1.00 0.00 C ATOM 4 O THR A 1 -22.006 0.955 -17.290 1.00 0.00 O ATOM 5 CB THR A 1 -21.877 3.857 -17.316 1.00 0.00 C ATOM 6 OG1 THR A 1 -23.290 3.686 -17.352 1.00 0.00 O ATOM 7 CG2 THR A 1 -21.319 3.615 -18.733 1.00 0.00 C ATOM 0 H1 THR A 1 -19.561 4.013 -16.737 1.00 0.00 H new ATOM 0 H2 THR A 1 -19.589 3.549 -15.104 1.00 0.00 H new ATOM 0 H3 THR A 1 -19.284 2.393 -16.310 1.00 0.00 H new ATOM 0 HA THR A 1 -21.789 3.280 -15.268 1.00 0.00 H new ATOM 0 HB THR A 1 -21.584 4.874 -17.056 1.00 0.00 H new ATOM 0 HG1 THR A 1 -23.669 4.240 -18.066 1.00 0.00 H new ATOM 0 HG21 THR A 1 -21.814 4.283 -19.438 1.00 0.00 H new ATOM 0 HG22 THR A 1 -20.247 3.811 -18.740 1.00 0.00 H new ATOM 0 HG23 THR A 1 -21.501 2.580 -19.024 1.00 0.00 H new ATOM 17 N PRO A 2 -21.459 0.626 -15.132 1.00 0.00 N ATOM 18 CA PRO A 2 -21.781 -0.826 -15.153 1.00 0.00 C ATOM 19 C PRO A 2 -23.285 -1.072 -14.812 1.00 0.00 C ATOM 20 O PRO A 2 -23.671 -1.194 -13.644 1.00 0.00 O ATOM 21 CB PRO A 2 -20.777 -1.379 -14.105 1.00 0.00 C ATOM 22 CG PRO A 2 -20.610 -0.251 -13.082 1.00 0.00 C ATOM 23 CD PRO A 2 -20.753 1.035 -13.901 1.00 0.00 C ATOM 0 HA PRO A 2 -21.674 -1.319 -16.119 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -21.157 -2.286 -13.634 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -19.824 -1.636 -14.568 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -21.367 -0.309 -12.300 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.639 -0.302 -12.590 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -21.317 1.791 -13.355 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -19.779 1.468 -14.130 1.00 0.00 H new ATOM 31 N ASP A 3 -24.126 -1.125 -15.861 1.00 0.00 N ATOM 32 CA ASP A 3 -25.603 -1.269 -15.728 1.00 0.00 C ATOM 33 C ASP A 3 -26.051 -2.741 -15.490 1.00 0.00 C ATOM 34 O ASP A 3 -25.426 -3.695 -15.967 1.00 0.00 O ATOM 35 CB ASP A 3 -26.316 -0.605 -16.950 1.00 0.00 C ATOM 36 CG ASP A 3 -26.090 -1.237 -18.338 1.00 0.00 C ATOM 37 OD1 ASP A 3 -25.062 -0.932 -18.983 1.00 0.00 O ATOM 38 OD2 ASP A 3 -26.944 -2.033 -18.783 1.00 0.00 O ATOM 0 H ASP A 3 -23.809 -1.070 -16.829 1.00 0.00 H new ATOM 0 HA ASP A 3 -25.913 -0.738 -14.828 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -27.388 -0.602 -16.753 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -25.998 0.436 -16.999 1.00 0.00 H new ATOM 43 N VAL A 4 -27.157 -2.883 -14.740 1.00 0.00 N ATOM 44 CA VAL A 4 -27.686 -4.205 -14.284 1.00 0.00 C ATOM 45 C VAL A 4 -28.559 -4.926 -15.370 1.00 0.00 C ATOM 46 O VAL A 4 -28.461 -6.152 -15.466 1.00 0.00 O ATOM 47 CB VAL A 4 -28.418 -4.080 -12.900 1.00 0.00 C ATOM 48 CG1 VAL A 4 -28.831 -5.446 -12.306 1.00 0.00 C ATOM 49 CG2 VAL A 4 -27.611 -3.338 -11.800 1.00 0.00 C ATOM 0 H VAL A 4 -27.719 -2.091 -14.426 1.00 0.00 H new ATOM 0 HA VAL A 4 -26.824 -4.855 -14.134 1.00 0.00 H new ATOM 0 HB VAL A 4 -29.295 -3.487 -13.158 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -29.332 -5.291 -11.350 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -29.510 -5.951 -12.993 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -27.943 -6.060 -12.155 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -28.197 -3.301 -10.881 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -26.677 -3.868 -11.614 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -27.392 -2.323 -12.132 1.00 0.00 H new ATOM 59 N SER A 5 -29.384 -4.220 -16.182 1.00 0.00 N ATOM 60 CA SER A 5 -30.109 -4.841 -17.341 1.00 0.00 C ATOM 61 C SER A 5 -29.280 -5.497 -18.495 1.00 0.00 C ATOM 62 O SER A 5 -29.790 -6.342 -19.237 1.00 0.00 O ATOM 63 CB SER A 5 -31.143 -3.842 -17.910 1.00 0.00 C ATOM 64 OG SER A 5 -32.106 -3.473 -16.929 1.00 0.00 O ATOM 0 H SER A 5 -29.570 -3.224 -16.064 1.00 0.00 H new ATOM 0 HA SER A 5 -30.578 -5.714 -16.887 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.629 -2.951 -18.270 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.648 -4.288 -18.767 1.00 0.00 H new ATOM 0 HG SER A 5 -32.744 -2.840 -17.319 1.00 0.00 H new ATOM 70 N SER A 6 -27.996 -5.147 -18.563 1.00 0.00 N ATOM 71 CA SER A 6 -26.940 -5.976 -19.198 1.00 0.00 C ATOM 72 C SER A 6 -26.389 -7.010 -18.164 1.00 0.00 C ATOM 73 O SER A 6 -26.631 -8.207 -18.330 1.00 0.00 O ATOM 74 CB SER A 6 -25.881 -5.018 -19.792 1.00 0.00 C ATOM 75 OG SER A 6 -24.786 -5.734 -20.344 1.00 0.00 O ATOM 0 H SER A 6 -27.643 -4.271 -18.178 1.00 0.00 H new ATOM 0 HA SER A 6 -27.321 -6.579 -20.022 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.340 -4.400 -20.564 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.522 -4.343 -19.015 1.00 0.00 H new ATOM 0 HG SER A 6 -24.146 -5.103 -20.735 1.00 0.00 H new ATOM 81 N ALA A 7 -25.664 -6.541 -17.118 1.00 0.00 N ATOM 82 CA ALA A 7 -24.977 -7.376 -16.088 1.00 0.00 C ATOM 83 C ALA A 7 -23.570 -7.888 -16.509 1.00 0.00 C ATOM 84 O ALA A 7 -22.626 -7.804 -15.719 1.00 0.00 O ATOM 85 CB ALA A 7 -25.840 -8.450 -15.391 1.00 0.00 C ATOM 0 H ALA A 7 -25.534 -5.542 -16.959 1.00 0.00 H new ATOM 0 HA ALA A 7 -24.799 -6.650 -15.295 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -25.232 -8.991 -14.666 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -26.675 -7.971 -14.880 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -26.223 -9.148 -16.135 1.00 0.00 H new ATOM 91 N LEU A 8 -23.437 -8.396 -17.748 1.00 0.00 N ATOM 92 CA LEU A 8 -22.137 -8.707 -18.393 1.00 0.00 C ATOM 93 C LEU A 8 -22.293 -8.539 -19.931 1.00 0.00 C ATOM 94 O LEU A 8 -21.719 -7.606 -20.499 1.00 0.00 O ATOM 95 CB LEU A 8 -21.562 -10.064 -17.874 1.00 0.00 C ATOM 96 CG LEU A 8 -20.055 -10.389 -18.080 1.00 0.00 C ATOM 97 CD1 LEU A 8 -19.706 -10.775 -19.529 1.00 0.00 C ATOM 98 CD2 LEU A 8 -19.098 -9.301 -17.550 1.00 0.00 C ATOM 0 H LEU A 8 -24.239 -8.607 -18.342 1.00 0.00 H new ATOM 0 HA LEU A 8 -21.357 -8.001 -18.108 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -21.763 -10.116 -16.804 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -22.135 -10.863 -18.345 1.00 0.00 H new ATOM 0 HG LEU A 8 -19.893 -11.272 -17.461 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.640 -10.989 -19.602 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -20.274 -11.660 -19.817 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -19.957 -9.950 -20.196 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -18.067 -9.604 -17.732 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -19.296 -8.360 -18.064 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.254 -9.169 -16.479 1.00 0.00 H new ATOM 110 N ASP A 9 -23.077 -9.422 -20.590 1.00 0.00 N ATOM 111 CA ASP A 9 -23.436 -9.338 -22.051 1.00 0.00 C ATOM 112 C ASP A 9 -22.270 -9.223 -23.083 1.00 0.00 C ATOM 113 O ASP A 9 -22.265 -8.435 -24.032 1.00 0.00 O ATOM 114 CB ASP A 9 -24.551 -8.299 -22.217 1.00 0.00 C ATOM 115 CG ASP A 9 -25.531 -8.492 -23.386 1.00 0.00 C ATOM 116 OD1 ASP A 9 -25.105 -8.453 -24.561 1.00 0.00 O ATOM 117 OD2 ASP A 9 -26.741 -8.677 -23.128 1.00 0.00 O ATOM 0 H ASP A 9 -23.492 -10.231 -20.127 1.00 0.00 H new ATOM 0 HA ASP A 9 -23.802 -10.325 -22.335 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -25.129 -8.275 -21.293 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -24.085 -7.320 -22.327 1.00 0.00 H new ATOM 122 N LYS A 10 -21.280 -10.066 -22.805 1.00 0.00 N ATOM 123 CA LYS A 10 -19.937 -10.075 -23.464 1.00 0.00 C ATOM 124 C LYS A 10 -19.206 -8.690 -23.407 1.00 0.00 C ATOM 125 O LYS A 10 -18.890 -8.095 -24.442 1.00 0.00 O ATOM 126 CB LYS A 10 -20.028 -10.739 -24.877 1.00 0.00 C ATOM 127 CG LYS A 10 -18.806 -11.538 -25.395 1.00 0.00 C ATOM 128 CD LYS A 10 -17.555 -10.743 -25.829 1.00 0.00 C ATOM 129 CE LYS A 10 -16.489 -10.590 -24.728 1.00 0.00 C ATOM 130 NZ LYS A 10 -15.363 -9.750 -25.172 1.00 0.00 N ATOM 0 H LYS A 10 -21.373 -10.793 -22.095 1.00 0.00 H new ATOM 0 HA LYS A 10 -19.269 -10.710 -22.882 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -20.887 -11.410 -24.874 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -20.241 -9.952 -25.601 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -18.505 -12.234 -24.612 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -19.134 -12.137 -26.245 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.104 -11.238 -26.689 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.865 -9.751 -26.159 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.943 -10.150 -23.840 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.118 -11.574 -24.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.666 -9.670 -24.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.914 -10.183 -26.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.713 -8.803 -25.421 1.00 0.00 H new ATOM 144 N LEU A 11 -18.976 -8.172 -22.178 1.00 0.00 N ATOM 145 CA LEU A 11 -18.414 -6.811 -21.920 1.00 0.00 C ATOM 146 C LEU A 11 -19.135 -5.645 -22.684 1.00 0.00 C ATOM 147 O LEU A 11 -18.490 -4.871 -23.401 1.00 0.00 O ATOM 148 CB LEU A 11 -16.853 -6.797 -22.045 1.00 0.00 C ATOM 149 CG LEU A 11 -15.972 -7.489 -20.960 1.00 0.00 C ATOM 150 CD1 LEU A 11 -16.164 -6.895 -19.552 1.00 0.00 C ATOM 151 CD2 LEU A 11 -16.069 -9.026 -20.921 1.00 0.00 C ATOM 0 H LEU A 11 -19.176 -8.689 -21.322 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.642 -6.587 -20.878 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.602 -7.252 -23.003 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.542 -5.753 -22.096 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.958 -7.262 -21.289 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.523 -7.421 -18.845 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -15.900 -5.837 -19.564 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.205 -7.006 -19.249 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.420 -9.412 -20.134 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -17.099 -9.321 -20.719 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.756 -9.435 -21.882 1.00 0.00 H new ATOM 163 N LYS A 12 -20.471 -5.511 -22.511 1.00 0.00 N ATOM 164 CA LYS A 12 -21.238 -4.303 -22.944 1.00 0.00 C ATOM 165 C LYS A 12 -21.916 -3.634 -21.696 1.00 0.00 C ATOM 166 O LYS A 12 -23.130 -3.432 -21.634 1.00 0.00 O ATOM 167 CB LYS A 12 -22.086 -4.675 -24.221 1.00 0.00 C ATOM 168 CG LYS A 12 -23.492 -4.073 -24.511 1.00 0.00 C ATOM 169 CD LYS A 12 -24.649 -4.902 -23.914 1.00 0.00 C ATOM 170 CE LYS A 12 -26.018 -4.213 -24.035 1.00 0.00 C ATOM 171 NZ LYS A 12 -27.093 -5.047 -23.469 1.00 0.00 N ATOM 0 H LYS A 12 -21.050 -6.227 -22.072 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.628 -3.478 -23.311 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -21.464 -4.439 -25.085 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -22.211 -5.758 -24.205 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -23.535 -3.061 -24.109 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.630 -3.994 -25.589 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -24.691 -5.868 -24.416 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -24.441 -5.098 -22.862 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -25.991 -3.253 -23.519 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -26.231 -4.005 -25.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -27.992 -4.526 -23.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -27.179 -5.924 -24.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -26.867 -5.281 -22.481 1.00 0.00 H new ATOM 185 N GLU A 13 -21.076 -3.246 -20.713 1.00 0.00 N ATOM 186 CA GLU A 13 -21.474 -2.568 -19.446 1.00 0.00 C ATOM 187 C GLU A 13 -20.192 -2.241 -18.628 1.00 0.00 C ATOM 188 O GLU A 13 -19.964 -1.067 -18.332 1.00 0.00 O ATOM 189 CB GLU A 13 -22.602 -3.235 -18.600 1.00 0.00 C ATOM 190 CG GLU A 13 -22.425 -4.688 -18.100 1.00 0.00 C ATOM 191 CD GLU A 13 -21.771 -4.838 -16.721 1.00 0.00 C ATOM 192 OE1 GLU A 13 -22.297 -4.281 -15.732 1.00 0.00 O ATOM 193 OE2 GLU A 13 -20.742 -5.542 -16.617 1.00 0.00 O ATOM 0 H GLU A 13 -20.069 -3.398 -20.774 1.00 0.00 H new ATOM 0 HA GLU A 13 -21.977 -1.649 -19.745 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -22.768 -2.607 -17.725 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -23.516 -3.203 -19.193 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -23.404 -5.166 -18.072 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -21.825 -5.234 -18.828 1.00 0.00 H new ATOM 200 N PHE A 14 -19.346 -3.246 -18.304 1.00 0.00 N ATOM 201 CA PHE A 14 -17.948 -3.021 -17.845 1.00 0.00 C ATOM 202 C PHE A 14 -16.938 -2.672 -18.991 1.00 0.00 C ATOM 203 O PHE A 14 -15.998 -1.917 -18.731 1.00 0.00 O ATOM 204 CB PHE A 14 -17.488 -4.219 -16.968 1.00 0.00 C ATOM 205 CG PHE A 14 -16.186 -3.964 -16.188 1.00 0.00 C ATOM 206 CD1 PHE A 14 -16.203 -3.144 -15.054 1.00 0.00 C ATOM 207 CD2 PHE A 14 -14.967 -4.479 -16.646 1.00 0.00 C ATOM 208 CE1 PHE A 14 -15.016 -2.835 -14.394 1.00 0.00 C ATOM 209 CE2 PHE A 14 -13.782 -4.170 -15.982 1.00 0.00 C ATOM 210 CZ PHE A 14 -13.807 -3.347 -14.859 1.00 0.00 C ATOM 0 H PHE A 14 -19.607 -4.231 -18.352 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.950 -2.120 -17.232 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -18.281 -4.463 -16.261 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.351 -5.092 -17.607 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -17.140 -2.749 -14.689 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.945 -5.118 -17.517 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.033 -2.198 -13.522 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.844 -4.569 -16.338 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.887 -3.105 -14.348 1.00 0.00 H new ATOM 220 N GLY A 15 -17.133 -3.151 -20.241 1.00 0.00 N ATOM 221 CA GLY A 15 -16.518 -2.509 -21.440 1.00 0.00 C ATOM 222 C GLY A 15 -16.873 -1.014 -21.679 1.00 0.00 C ATOM 223 O GLY A 15 -15.982 -0.230 -22.010 1.00 0.00 O ATOM 0 H GLY A 15 -17.703 -3.970 -20.451 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.435 -2.594 -21.356 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.815 -3.076 -22.322 1.00 0.00 H new ATOM 227 N ASN A 16 -18.147 -0.627 -21.462 1.00 0.00 N ATOM 228 CA ASN A 16 -18.571 0.801 -21.355 1.00 0.00 C ATOM 229 C ASN A 16 -17.991 1.595 -20.134 1.00 0.00 C ATOM 230 O ASN A 16 -17.741 2.794 -20.284 1.00 0.00 O ATOM 231 CB ASN A 16 -20.126 0.889 -21.364 1.00 0.00 C ATOM 232 CG ASN A 16 -20.819 0.482 -22.680 1.00 0.00 C ATOM 233 OD1 ASN A 16 -21.240 -0.660 -22.857 1.00 0.00 O ATOM 234 ND2 ASN A 16 -20.953 1.401 -23.626 1.00 0.00 N ATOM 0 H ASN A 16 -18.916 -1.288 -21.355 1.00 0.00 H new ATOM 0 HA ASN A 16 -18.142 1.291 -22.229 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -20.510 0.257 -20.564 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -20.413 1.913 -21.127 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -21.408 1.163 -24.508 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -20.601 2.346 -23.472 1.00 0.00 H new ATOM 241 N THR A 17 -17.747 0.960 -18.963 1.00 0.00 N ATOM 242 CA THR A 17 -17.005 1.566 -17.822 1.00 0.00 C ATOM 243 C THR A 17 -15.532 1.937 -18.188 1.00 0.00 C ATOM 244 O THR A 17 -15.154 3.099 -18.019 1.00 0.00 O ATOM 245 CB THR A 17 -17.108 0.632 -16.573 1.00 0.00 C ATOM 246 OG1 THR A 17 -18.463 0.294 -16.298 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.545 1.238 -15.283 1.00 0.00 C ATOM 0 H THR A 17 -18.060 0.007 -18.778 1.00 0.00 H new ATOM 0 HA THR A 17 -17.475 2.517 -17.573 1.00 0.00 H new ATOM 0 HB THR A 17 -16.511 -0.238 -16.845 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.836 -0.203 -17.055 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.656 0.524 -14.467 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.489 1.470 -15.421 1.00 0.00 H new ATOM 0 HG23 THR A 17 -17.089 2.152 -15.043 1.00 0.00 H new ATOM 255 N LEU A 18 -14.733 0.982 -18.717 1.00 0.00 N ATOM 256 CA LEU A 18 -13.374 1.278 -19.270 1.00 0.00 C ATOM 257 C LEU A 18 -13.256 2.022 -20.642 1.00 0.00 C ATOM 258 O LEU A 18 -12.142 2.317 -21.082 1.00 0.00 O ATOM 259 CB LEU A 18 -12.430 0.051 -19.099 1.00 0.00 C ATOM 260 CG LEU A 18 -12.635 -1.224 -19.974 1.00 0.00 C ATOM 261 CD1 LEU A 18 -12.151 -1.056 -21.429 1.00 0.00 C ATOM 262 CD2 LEU A 18 -11.908 -2.422 -19.330 1.00 0.00 C ATOM 0 H LEU A 18 -14.998 -0.001 -18.776 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.014 2.090 -18.638 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.412 0.400 -19.270 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.489 -0.260 -18.056 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.710 -1.399 -20.015 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.324 -1.981 -21.979 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.700 -0.243 -21.904 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.086 -0.825 -21.434 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.054 -3.310 -19.945 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.843 -2.204 -19.255 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.312 -2.600 -18.334 1.00 0.00 H new ATOM 274 N GLU A 19 -14.391 2.384 -21.263 1.00 0.00 N ATOM 275 CA GLU A 19 -14.455 3.367 -22.377 1.00 0.00 C ATOM 276 C GLU A 19 -14.336 4.829 -21.848 1.00 0.00 C ATOM 277 O GLU A 19 -13.427 5.541 -22.280 1.00 0.00 O ATOM 278 CB GLU A 19 -15.715 3.094 -23.243 1.00 0.00 C ATOM 279 CG GLU A 19 -15.804 3.804 -24.614 1.00 0.00 C ATOM 280 CD GLU A 19 -16.133 5.303 -24.564 1.00 0.00 C ATOM 281 OE1 GLU A 19 -17.288 5.659 -24.243 1.00 0.00 O ATOM 282 OE2 GLU A 19 -15.236 6.130 -24.842 1.00 0.00 O ATOM 0 H GLU A 19 -15.303 2.004 -21.009 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.596 3.242 -23.036 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.779 2.020 -23.415 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.592 3.376 -22.660 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.853 3.676 -25.132 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.564 3.303 -25.214 1.00 0.00 H new ATOM 289 N ASP A 20 -15.217 5.260 -20.918 1.00 0.00 N ATOM 290 CA ASP A 20 -15.105 6.580 -20.225 1.00 0.00 C ATOM 291 C ASP A 20 -13.811 6.829 -19.388 1.00 0.00 C ATOM 292 O ASP A 20 -13.264 7.933 -19.434 1.00 0.00 O ATOM 293 CB ASP A 20 -16.400 6.872 -19.418 1.00 0.00 C ATOM 294 CG ASP A 20 -16.739 5.970 -18.215 1.00 0.00 C ATOM 295 OD1 ASP A 20 -16.166 6.172 -17.122 1.00 0.00 O ATOM 296 OD2 ASP A 20 -17.585 5.059 -18.362 1.00 0.00 O ATOM 0 H ASP A 20 -16.025 4.712 -20.622 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.997 7.308 -21.029 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -16.340 7.898 -19.056 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.239 6.828 -20.112 1.00 0.00 H new ATOM 301 N LYS A 21 -13.323 5.805 -18.665 1.00 0.00 N ATOM 302 CA LYS A 21 -12.002 5.827 -17.966 1.00 0.00 C ATOM 303 C LYS A 21 -10.777 6.047 -18.911 1.00 0.00 C ATOM 304 O LYS A 21 -9.967 6.934 -18.636 1.00 0.00 O ATOM 305 CB LYS A 21 -11.819 4.531 -17.129 1.00 0.00 C ATOM 306 CG LYS A 21 -12.758 4.379 -15.907 1.00 0.00 C ATOM 307 CD LYS A 21 -12.778 2.971 -15.277 1.00 0.00 C ATOM 308 CE LYS A 21 -11.463 2.541 -14.600 1.00 0.00 C ATOM 309 NZ LYS A 21 -11.583 1.199 -14.001 1.00 0.00 N ATOM 0 H LYS A 21 -13.829 4.928 -18.542 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.024 6.697 -17.310 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.966 3.673 -17.785 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.788 4.490 -16.778 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.458 5.098 -15.145 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.772 4.640 -16.211 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.579 2.931 -14.539 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.023 2.246 -16.053 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.656 2.544 -15.333 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.195 3.263 -13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.682 0.937 -13.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.337 1.205 -13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.815 0.507 -14.742 1.00 0.00 H new ATOM 323 N ALA A 22 -10.657 5.281 -20.019 1.00 0.00 N ATOM 324 CA ALA A 22 -9.616 5.508 -21.060 1.00 0.00 C ATOM 325 C ALA A 22 -9.709 6.855 -21.839 1.00 0.00 C ATOM 326 O ALA A 22 -8.681 7.506 -22.030 1.00 0.00 O ATOM 327 CB ALA A 22 -9.634 4.320 -22.035 1.00 0.00 C ATOM 0 H ALA A 22 -11.272 4.492 -20.221 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.669 5.583 -20.525 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.877 4.470 -22.805 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.421 3.400 -21.491 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.616 4.247 -22.501 1.00 0.00 H new ATOM 333 N ARG A 23 -10.917 7.287 -22.258 1.00 0.00 N ATOM 334 CA ARG A 23 -11.156 8.635 -22.851 1.00 0.00 C ATOM 335 C ARG A 23 -10.755 9.841 -21.937 1.00 0.00 C ATOM 336 O ARG A 23 -10.107 10.772 -22.424 1.00 0.00 O ATOM 337 CB ARG A 23 -12.637 8.685 -23.316 1.00 0.00 C ATOM 338 CG ARG A 23 -12.980 9.863 -24.249 1.00 0.00 C ATOM 339 CD ARG A 23 -14.441 9.823 -24.729 1.00 0.00 C ATOM 340 NE ARG A 23 -14.731 10.932 -25.669 1.00 0.00 N ATOM 341 CZ ARG A 23 -15.941 11.173 -26.211 1.00 0.00 C ATOM 342 NH1 ARG A 23 -17.030 10.449 -25.955 1.00 0.00 N ATOM 343 NH2 ARG A 23 -16.055 12.190 -27.046 1.00 0.00 N ATOM 0 H ARG A 23 -11.760 6.716 -22.198 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.486 8.761 -23.701 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.874 7.753 -23.828 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.278 8.738 -22.436 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.797 10.802 -23.727 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.316 9.844 -25.113 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.639 8.869 -25.217 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.110 9.887 -23.871 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.963 11.554 -25.922 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.977 9.657 -25.314 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.917 10.686 -26.400 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.241 12.765 -27.263 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.957 12.400 -27.474 1.00 0.00 H new ATOM 357 N GLU A 24 -11.088 9.799 -20.631 1.00 0.00 N ATOM 358 CA GLU A 24 -10.559 10.742 -19.606 1.00 0.00 C ATOM 359 C GLU A 24 -9.003 10.730 -19.434 1.00 0.00 C ATOM 360 O GLU A 24 -8.415 11.810 -19.353 1.00 0.00 O ATOM 361 CB GLU A 24 -11.300 10.440 -18.270 1.00 0.00 C ATOM 362 CG GLU A 24 -11.067 11.461 -17.135 1.00 0.00 C ATOM 363 CD GLU A 24 -11.781 11.065 -15.840 1.00 0.00 C ATOM 364 OE1 GLU A 24 -11.202 10.296 -15.042 1.00 0.00 O ATOM 365 OE2 GLU A 24 -12.924 11.520 -15.616 1.00 0.00 O ATOM 0 H GLU A 24 -11.734 9.109 -20.249 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.758 11.758 -19.947 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.370 10.386 -18.472 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.992 9.455 -17.918 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.998 11.551 -16.944 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.417 12.442 -17.455 1.00 0.00 H new ATOM 372 N LEU A 25 -8.355 9.548 -19.358 1.00 0.00 N ATOM 373 CA LEU A 25 -6.887 9.432 -19.113 1.00 0.00 C ATOM 374 C LEU A 25 -5.979 9.797 -20.326 1.00 0.00 C ATOM 375 O LEU A 25 -4.969 10.468 -20.109 1.00 0.00 O ATOM 376 CB LEU A 25 -6.561 8.029 -18.512 1.00 0.00 C ATOM 377 CG LEU A 25 -6.536 7.935 -16.958 1.00 0.00 C ATOM 378 CD1 LEU A 25 -7.835 8.382 -16.252 1.00 0.00 C ATOM 379 CD2 LEU A 25 -6.163 6.508 -16.511 1.00 0.00 C ATOM 0 H LEU A 25 -8.824 8.648 -19.463 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.636 10.201 -18.383 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.296 7.317 -18.886 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.589 7.712 -18.890 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.774 8.649 -16.647 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.717 8.279 -15.173 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.042 9.424 -16.497 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.664 7.759 -16.587 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.150 6.460 -15.422 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.898 5.802 -16.897 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.176 6.252 -16.897 1.00 0.00 H new ATOM 391 N ILE A 26 -6.311 9.406 -21.575 1.00 0.00 N ATOM 392 CA ILE A 26 -5.579 9.849 -22.801 1.00 0.00 C ATOM 393 C ILE A 26 -5.758 11.390 -23.059 1.00 0.00 C ATOM 394 O ILE A 26 -4.746 12.067 -23.254 1.00 0.00 O ATOM 395 CB ILE A 26 -5.932 8.876 -23.992 1.00 0.00 C ATOM 396 CG1 ILE A 26 -5.202 7.494 -23.936 1.00 0.00 C ATOM 397 CG2 ILE A 26 -5.646 9.465 -25.399 1.00 0.00 C ATOM 398 CD1 ILE A 26 -5.456 6.562 -22.742 1.00 0.00 C ATOM 0 H ILE A 26 -7.090 8.777 -21.771 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.500 9.762 -22.672 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.004 8.738 -23.850 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.465 6.947 -24.841 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.130 7.687 -23.980 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.916 8.734 -26.161 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.235 10.371 -25.541 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.586 9.704 -25.485 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.872 5.649 -22.862 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.160 7.063 -21.820 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.516 6.311 -22.695 1.00 0.00 H new ATOM 410 N SER A 27 -6.994 11.942 -23.016 1.00 0.00 N ATOM 411 CA SER A 27 -7.237 13.419 -23.024 1.00 0.00 C ATOM 412 C SER A 27 -6.512 14.260 -21.920 1.00 0.00 C ATOM 413 O SER A 27 -6.054 15.369 -22.214 1.00 0.00 O ATOM 414 CB SER A 27 -8.763 13.664 -23.005 1.00 0.00 C ATOM 415 OG SER A 27 -9.069 15.033 -23.237 1.00 0.00 O ATOM 0 H SER A 27 -7.849 11.388 -22.975 1.00 0.00 H new ATOM 0 HA SER A 27 -6.778 13.788 -23.941 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.242 13.048 -23.766 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.171 13.356 -22.042 1.00 0.00 H new ATOM 0 HG SER A 27 -10.041 15.158 -23.221 1.00 0.00 H new ATOM 421 N ARG A 28 -6.370 13.724 -20.690 1.00 0.00 N ATOM 422 CA ARG A 28 -5.475 14.284 -19.641 1.00 0.00 C ATOM 423 C ARG A 28 -3.972 14.269 -20.064 1.00 0.00 C ATOM 424 O ARG A 28 -3.375 15.341 -20.145 1.00 0.00 O ATOM 425 CB ARG A 28 -5.773 13.535 -18.303 1.00 0.00 C ATOM 426 CG ARG A 28 -4.921 13.893 -17.063 1.00 0.00 C ATOM 427 CD ARG A 28 -5.114 15.327 -16.542 1.00 0.00 C ATOM 428 NE ARG A 28 -4.210 15.592 -15.397 1.00 0.00 N ATOM 429 CZ ARG A 28 -3.972 16.813 -14.878 1.00 0.00 C ATOM 430 NH1 ARG A 28 -4.525 17.937 -15.331 1.00 0.00 N ATOM 431 NH2 ARG A 28 -3.136 16.901 -13.859 1.00 0.00 N ATOM 0 H ARG A 28 -6.872 12.888 -20.390 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.684 15.344 -19.495 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.819 13.708 -18.050 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.662 12.466 -18.487 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.160 13.195 -16.261 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.869 13.749 -17.308 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.915 16.040 -17.342 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.150 15.472 -16.236 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.735 14.795 -14.973 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.173 17.905 -16.118 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.301 18.829 -14.891 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.693 16.060 -13.489 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.934 17.810 -13.442 1.00 0.00 H new ATOM 445 N ILE A 29 -3.395 13.082 -20.344 1.00 0.00 N ATOM 446 CA ILE A 29 -1.936 12.861 -20.581 1.00 0.00 C ATOM 447 C ILE A 29 -1.249 13.837 -21.577 1.00 0.00 C ATOM 448 O ILE A 29 -0.404 14.631 -21.150 1.00 0.00 O ATOM 449 CB ILE A 29 -1.712 11.318 -20.842 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.737 10.484 -19.529 1.00 0.00 C ATOM 451 CG2 ILE A 29 -0.487 10.911 -21.707 1.00 0.00 C ATOM 452 CD1 ILE A 29 -0.556 10.704 -18.576 1.00 0.00 C ATOM 0 H ILE A 29 -3.938 12.221 -20.416 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.390 13.140 -19.680 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.575 11.074 -21.461 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.659 10.712 -18.994 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.775 9.427 -19.793 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.455 9.826 -21.805 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.574 11.362 -22.696 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.428 11.259 -21.228 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.677 10.073 -17.695 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.374 10.445 -19.083 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.524 11.750 -18.271 1.00 0.00 H new ATOM 464 N LYS A 30 -1.608 13.779 -22.870 1.00 0.00 N ATOM 465 CA LYS A 30 -0.964 14.644 -23.912 1.00 0.00 C ATOM 466 C LYS A 30 -1.256 16.184 -23.887 1.00 0.00 C ATOM 467 O LYS A 30 -0.714 16.928 -24.711 1.00 0.00 O ATOM 468 CB LYS A 30 -1.027 13.991 -25.324 1.00 0.00 C ATOM 469 CG LYS A 30 -2.243 14.261 -26.242 1.00 0.00 C ATOM 470 CD LYS A 30 -3.570 13.608 -25.819 1.00 0.00 C ATOM 471 CE LYS A 30 -4.676 13.834 -26.868 1.00 0.00 C ATOM 472 NZ LYS A 30 -5.924 13.139 -26.515 1.00 0.00 N ATOM 0 H LYS A 30 -2.330 13.155 -23.231 1.00 0.00 H new ATOM 0 HA LYS A 30 0.080 14.666 -23.600 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.134 14.303 -25.867 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.956 12.912 -25.187 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.395 15.339 -26.302 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.997 13.918 -27.247 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.419 12.538 -25.674 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.888 14.018 -24.861 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.871 14.902 -26.964 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.330 13.484 -27.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.285 12.629 -27.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.739 12.462 -25.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.632 13.834 -26.201 1.00 0.00 H new ATOM 486 N GLN A 31 -2.045 16.648 -22.906 1.00 0.00 N ATOM 487 CA GLN A 31 -2.102 18.059 -22.487 1.00 0.00 C ATOM 488 C GLN A 31 -2.123 18.175 -20.922 1.00 0.00 C ATOM 489 O GLN A 31 -3.050 18.762 -20.351 1.00 0.00 O ATOM 490 CB GLN A 31 -3.309 18.699 -23.221 1.00 0.00 C ATOM 491 CG GLN A 31 -3.246 20.228 -23.195 1.00 0.00 C ATOM 492 CD GLN A 31 -4.391 20.915 -23.954 1.00 0.00 C ATOM 493 OE1 GLN A 31 -5.497 21.071 -23.435 1.00 0.00 O ATOM 494 NE2 GLN A 31 -4.157 21.340 -25.186 1.00 0.00 N ATOM 0 H GLN A 31 -2.671 16.045 -22.373 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.210 18.617 -22.771 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.330 18.354 -24.255 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.236 18.366 -22.755 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.258 20.564 -22.158 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.296 20.549 -23.623 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.237 21.205 -25.606 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.897 21.802 -25.715 1.00 0.00 H new ATOM 503 N SER A 32 -1.089 17.650 -20.220 1.00 0.00 N ATOM 504 CA SER A 32 -0.923 17.842 -18.754 1.00 0.00 C ATOM 505 C SER A 32 0.563 17.707 -18.321 1.00 0.00 C ATOM 506 O SER A 32 1.342 16.936 -18.892 1.00 0.00 O ATOM 507 CB SER A 32 -1.805 16.864 -17.938 1.00 0.00 C ATOM 508 OG SER A 32 -1.413 15.503 -18.103 1.00 0.00 O ATOM 0 H SER A 32 -0.353 17.087 -20.646 1.00 0.00 H new ATOM 0 HA SER A 32 -1.253 18.858 -18.538 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.752 17.128 -16.882 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.845 16.978 -18.243 1.00 0.00 H new ATOM 0 HG SER A 32 -1.905 15.110 -18.854 1.00 0.00 H new ATOM 514 N GLU A 33 0.904 18.393 -17.212 1.00 0.00 N ATOM 515 CA GLU A 33 2.128 18.091 -16.408 1.00 0.00 C ATOM 516 C GLU A 33 2.120 16.792 -15.522 1.00 0.00 C ATOM 517 O GLU A 33 3.101 16.542 -14.816 1.00 0.00 O ATOM 518 CB GLU A 33 2.520 19.363 -15.594 1.00 0.00 C ATOM 519 CG GLU A 33 1.716 19.720 -14.315 1.00 0.00 C ATOM 520 CD GLU A 33 0.250 20.112 -14.537 1.00 0.00 C ATOM 521 OE1 GLU A 33 -0.019 21.287 -14.872 1.00 0.00 O ATOM 522 OE2 GLU A 33 -0.638 19.244 -14.382 1.00 0.00 O ATOM 0 H GLU A 33 0.352 19.167 -16.842 1.00 0.00 H new ATOM 0 HA GLU A 33 2.894 17.835 -17.140 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.566 19.259 -15.306 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.459 20.217 -16.269 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.746 18.865 -13.639 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.220 20.544 -13.809 1.00 0.00 H new ATOM 529 N LEU A 34 1.063 15.954 -15.588 1.00 0.00 N ATOM 530 CA LEU A 34 1.061 14.575 -15.028 1.00 0.00 C ATOM 531 C LEU A 34 1.842 13.558 -15.923 1.00 0.00 C ATOM 532 O LEU A 34 2.448 12.630 -15.386 1.00 0.00 O ATOM 533 CB LEU A 34 -0.430 14.192 -14.763 1.00 0.00 C ATOM 534 CG LEU A 34 -0.797 12.887 -13.997 1.00 0.00 C ATOM 535 CD1 LEU A 34 -0.797 11.626 -14.882 1.00 0.00 C ATOM 536 CD2 LEU A 34 0.009 12.670 -12.700 1.00 0.00 C ATOM 0 H LEU A 34 0.181 16.211 -16.032 1.00 0.00 H new ATOM 0 HA LEU A 34 1.609 14.538 -14.087 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.881 15.021 -14.217 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.925 14.143 -15.733 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.830 13.052 -13.690 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.062 10.758 -14.278 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.524 11.745 -15.685 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.195 11.482 -15.310 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.306 11.740 -12.227 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.071 12.614 -12.937 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.168 13.502 -12.018 1.00 0.00 H new ATOM 548 N SER A 35 1.845 13.735 -17.258 1.00 0.00 N ATOM 549 CA SER A 35 2.628 12.894 -18.199 1.00 0.00 C ATOM 550 C SER A 35 4.183 12.892 -18.125 1.00 0.00 C ATOM 551 O SER A 35 4.750 11.801 -18.201 1.00 0.00 O ATOM 552 CB SER A 35 2.147 13.189 -19.615 1.00 0.00 C ATOM 553 OG SER A 35 2.512 14.486 -20.079 1.00 0.00 O ATOM 0 H SER A 35 1.305 14.466 -17.721 1.00 0.00 H new ATOM 0 HA SER A 35 2.419 11.877 -17.867 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.557 12.440 -20.293 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.062 13.091 -19.650 1.00 0.00 H new ATOM 0 HG SER A 35 2.047 15.166 -19.548 1.00 0.00 H new ATOM 559 N ALA A 36 4.885 14.032 -17.930 1.00 0.00 N ATOM 560 CA ALA A 36 6.289 14.027 -17.426 1.00 0.00 C ATOM 561 C ALA A 36 6.559 13.320 -16.053 1.00 0.00 C ATOM 562 O ALA A 36 7.710 12.968 -15.779 1.00 0.00 O ATOM 563 CB ALA A 36 6.765 15.490 -17.374 1.00 0.00 C ATOM 0 H ALA A 36 4.511 14.963 -18.111 1.00 0.00 H new ATOM 0 HA ALA A 36 6.852 13.411 -18.127 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.791 15.526 -17.009 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.720 15.923 -18.373 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.121 16.059 -16.703 1.00 0.00 H new ATOM 569 N LYS A 37 5.513 13.080 -15.230 1.00 0.00 N ATOM 570 CA LYS A 37 5.612 12.208 -14.015 1.00 0.00 C ATOM 571 C LYS A 37 5.588 10.685 -14.364 1.00 0.00 C ATOM 572 O LYS A 37 6.471 9.957 -13.905 1.00 0.00 O ATOM 573 CB LYS A 37 4.561 12.544 -12.916 1.00 0.00 C ATOM 574 CG LYS A 37 4.385 14.025 -12.502 1.00 0.00 C ATOM 575 CD LYS A 37 5.629 14.688 -11.874 1.00 0.00 C ATOM 576 CE LYS A 37 5.458 16.183 -11.539 1.00 0.00 C ATOM 577 NZ LYS A 37 4.539 16.431 -10.411 1.00 0.00 N ATOM 0 H LYS A 37 4.584 13.475 -15.377 1.00 0.00 H new ATOM 0 HA LYS A 37 6.590 12.437 -13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.593 12.176 -13.257 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.821 11.977 -12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.093 14.599 -13.382 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.561 14.091 -11.791 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.889 14.152 -10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.469 14.576 -12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.433 16.608 -11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.087 16.705 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.469 17.454 -10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.598 16.054 -10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.902 15.960 -9.558 1.00 0.00 H new ATOM 591 N MET A 38 4.632 10.220 -15.204 1.00 0.00 N ATOM 592 CA MET A 38 4.684 8.890 -15.887 1.00 0.00 C ATOM 593 C MET A 38 6.012 8.568 -16.648 1.00 0.00 C ATOM 594 O MET A 38 6.514 7.452 -16.529 1.00 0.00 O ATOM 595 CB MET A 38 3.507 8.758 -16.902 1.00 0.00 C ATOM 596 CG MET A 38 2.070 8.760 -16.347 1.00 0.00 C ATOM 597 SD MET A 38 1.839 7.515 -15.054 1.00 0.00 S ATOM 598 CE MET A 38 1.923 5.963 -15.973 1.00 0.00 C ATOM 0 H MET A 38 3.795 10.756 -15.433 1.00 0.00 H new ATOM 0 HA MET A 38 4.612 8.172 -15.070 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.590 9.576 -17.618 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.649 7.832 -17.459 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.838 9.746 -15.946 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.368 8.573 -17.159 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.741 5.129 -15.295 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.167 5.964 -16.758 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.911 5.858 -16.421 1.00 0.00 H new ATOM 608 N ARG A 39 6.551 9.531 -17.420 1.00 0.00 N ATOM 609 CA ARG A 39 7.748 9.344 -18.289 1.00 0.00 C ATOM 610 C ARG A 39 9.095 9.220 -17.514 1.00 0.00 C ATOM 611 O ARG A 39 9.876 8.311 -17.811 1.00 0.00 O ATOM 612 CB ARG A 39 7.732 10.485 -19.341 1.00 0.00 C ATOM 613 CG ARG A 39 8.606 10.259 -20.595 1.00 0.00 C ATOM 614 CD ARG A 39 8.456 11.359 -21.671 1.00 0.00 C ATOM 615 NE ARG A 39 7.083 11.425 -22.253 1.00 0.00 N ATOM 616 CZ ARG A 39 6.193 12.416 -22.037 1.00 0.00 C ATOM 617 NH1 ARG A 39 6.456 13.520 -21.340 1.00 0.00 N ATOM 618 NH2 ARG A 39 4.982 12.282 -22.544 1.00 0.00 N ATOM 0 H ARG A 39 6.169 10.476 -17.464 1.00 0.00 H new ATOM 0 HA ARG A 39 7.685 8.377 -18.787 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.702 10.642 -19.663 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.058 11.405 -18.856 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.651 10.202 -20.292 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.349 9.296 -21.036 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.705 12.325 -21.232 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.175 11.178 -22.470 1.00 0.00 H new ATOM 0 HE ARG A 39 6.795 10.660 -22.863 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.380 13.656 -20.930 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.734 14.229 -21.216 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.743 11.448 -23.080 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.285 13.012 -22.399 1.00 0.00 H new ATOM 632 N GLU A 40 9.338 10.079 -16.498 1.00 0.00 N ATOM 633 CA GLU A 40 10.404 9.860 -15.476 1.00 0.00 C ATOM 634 C GLU A 40 10.271 8.523 -14.669 1.00 0.00 C ATOM 635 O GLU A 40 11.280 7.837 -14.487 1.00 0.00 O ATOM 636 CB GLU A 40 10.467 11.106 -14.557 1.00 0.00 C ATOM 637 CG GLU A 40 11.719 11.195 -13.657 1.00 0.00 C ATOM 638 CD GLU A 40 11.677 12.393 -12.707 1.00 0.00 C ATOM 639 OE1 GLU A 40 12.140 13.489 -13.092 1.00 0.00 O ATOM 640 OE2 GLU A 40 11.177 12.245 -11.569 1.00 0.00 O ATOM 0 H GLU A 40 8.809 10.940 -16.358 1.00 0.00 H new ATOM 0 HA GLU A 40 11.350 9.738 -16.004 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.422 12.000 -15.179 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.581 11.115 -13.922 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.810 10.278 -13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.608 11.264 -14.284 1.00 0.00 H new ATOM 647 N TRP A 41 9.050 8.143 -14.230 1.00 0.00 N ATOM 648 CA TRP A 41 8.764 6.814 -13.625 1.00 0.00 C ATOM 649 C TRP A 41 9.063 5.576 -14.539 1.00 0.00 C ATOM 650 O TRP A 41 9.567 4.587 -14.009 1.00 0.00 O ATOM 651 CB TRP A 41 7.300 6.837 -13.094 1.00 0.00 C ATOM 652 CG TRP A 41 6.846 5.603 -12.302 1.00 0.00 C ATOM 653 CD1 TRP A 41 6.863 5.460 -10.900 1.00 0.00 C ATOM 654 CD2 TRP A 41 6.354 4.404 -12.793 1.00 0.00 C ATOM 655 NE1 TRP A 41 6.391 4.197 -10.498 1.00 0.00 N ATOM 656 CE2 TRP A 41 6.083 3.557 -11.689 1.00 0.00 C ATOM 657 CE3 TRP A 41 6.165 3.937 -14.121 1.00 0.00 C ATOM 658 CZ2 TRP A 41 5.616 2.239 -11.904 1.00 0.00 C ATOM 659 CZ3 TRP A 41 5.704 2.633 -14.306 1.00 0.00 C ATOM 660 CH2 TRP A 41 5.431 1.799 -13.215 1.00 0.00 C ATOM 0 H TRP A 41 8.230 8.748 -14.284 1.00 0.00 H new ATOM 0 HA TRP A 41 9.467 6.665 -12.806 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.180 7.715 -12.459 1.00 0.00 H new ATOM 0 HB3 TRP A 41 6.629 6.964 -13.944 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.198 6.227 -10.217 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.297 3.835 -9.549 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.373 4.575 -14.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 5.407 1.586 -11.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.555 2.260 -15.309 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.070 0.796 -13.392 1.00 0.00 H new ATOM 671 N PHE A 42 8.751 5.595 -15.856 1.00 0.00 N ATOM 672 CA PHE A 42 9.118 4.482 -16.792 1.00 0.00 C ATOM 673 C PHE A 42 10.657 4.269 -16.979 1.00 0.00 C ATOM 674 O PHE A 42 11.088 3.129 -17.163 1.00 0.00 O ATOM 675 CB PHE A 42 8.446 4.650 -18.190 1.00 0.00 C ATOM 676 CG PHE A 42 6.926 4.408 -18.287 1.00 0.00 C ATOM 677 CD1 PHE A 42 6.378 3.158 -17.969 1.00 0.00 C ATOM 678 CD2 PHE A 42 6.081 5.415 -18.770 1.00 0.00 C ATOM 679 CE1 PHE A 42 5.007 2.940 -18.082 1.00 0.00 C ATOM 680 CE2 PHE A 42 4.710 5.197 -18.878 1.00 0.00 C ATOM 681 CZ PHE A 42 4.174 3.961 -18.530 1.00 0.00 C ATOM 0 H PHE A 42 8.248 6.362 -16.303 1.00 0.00 H new ATOM 0 HA PHE A 42 8.732 3.588 -16.302 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.648 5.662 -18.540 1.00 0.00 H new ATOM 0 HB3 PHE A 42 8.939 3.969 -18.884 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.023 2.359 -17.634 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.496 6.369 -19.061 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.590 1.978 -17.822 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.063 5.986 -19.232 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.110 3.794 -18.608 1.00 0.00 H new ATOM 691 N SER A 43 11.466 5.346 -16.902 1.00 0.00 N ATOM 692 CA SER A 43 12.949 5.251 -16.798 1.00 0.00 C ATOM 693 C SER A 43 13.448 4.665 -15.438 1.00 0.00 C ATOM 694 O SER A 43 14.230 3.712 -15.447 1.00 0.00 O ATOM 695 CB SER A 43 13.588 6.628 -17.095 1.00 0.00 C ATOM 696 OG SER A 43 13.287 7.069 -18.415 1.00 0.00 O ATOM 0 H SER A 43 11.118 6.305 -16.910 1.00 0.00 H new ATOM 0 HA SER A 43 13.275 4.534 -17.552 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.226 7.361 -16.374 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.669 6.563 -16.969 1.00 0.00 H new ATOM 0 HG SER A 43 13.703 7.942 -18.571 1.00 0.00 H new ATOM 702 N GLU A 44 12.971 5.204 -14.294 1.00 0.00 N ATOM 703 CA GLU A 44 13.242 4.666 -12.924 1.00 0.00 C ATOM 704 C GLU A 44 12.836 3.177 -12.659 1.00 0.00 C ATOM 705 O GLU A 44 13.552 2.477 -11.937 1.00 0.00 O ATOM 706 CB GLU A 44 12.541 5.584 -11.881 1.00 0.00 C ATOM 707 CG GLU A 44 13.114 7.013 -11.743 1.00 0.00 C ATOM 708 CD GLU A 44 12.273 7.894 -10.816 1.00 0.00 C ATOM 709 OE1 GLU A 44 11.215 8.398 -11.254 1.00 0.00 O ATOM 710 OE2 GLU A 44 12.665 8.086 -9.643 1.00 0.00 O ATOM 0 H GLU A 44 12.379 6.035 -14.286 1.00 0.00 H new ATOM 0 HA GLU A 44 14.328 4.668 -12.831 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.486 5.661 -12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.591 5.098 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.133 6.957 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.169 7.476 -12.728 1.00 0.00 H new ATOM 717 N THR A 45 11.702 2.711 -13.218 1.00 0.00 N ATOM 718 CA THR A 45 11.212 1.313 -13.074 1.00 0.00 C ATOM 719 C THR A 45 11.888 0.340 -14.090 1.00 0.00 C ATOM 720 O THR A 45 12.369 -0.709 -13.653 1.00 0.00 O ATOM 721 CB THR A 45 9.656 1.295 -13.119 1.00 0.00 C ATOM 722 OG1 THR A 45 9.116 2.183 -12.141 1.00 0.00 O ATOM 723 CG2 THR A 45 9.014 -0.081 -12.868 1.00 0.00 C ATOM 0 H THR A 45 11.090 3.294 -13.789 1.00 0.00 H new ATOM 0 HA THR A 45 11.510 0.931 -12.098 1.00 0.00 H new ATOM 0 HB THR A 45 9.419 1.598 -14.139 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.144 2.238 -12.251 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.929 0.009 -12.920 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.356 -0.786 -13.626 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.302 -0.442 -11.881 1.00 0.00 H new ATOM 731 N PHE A 46 11.922 0.657 -15.408 1.00 0.00 N ATOM 732 CA PHE A 46 12.533 -0.229 -16.435 1.00 0.00 C ATOM 733 C PHE A 46 14.073 -0.017 -16.451 1.00 0.00 C ATOM 734 O PHE A 46 14.634 0.991 -16.890 1.00 0.00 O ATOM 735 CB PHE A 46 11.882 -0.032 -17.818 1.00 0.00 C ATOM 736 CG PHE A 46 12.071 -1.192 -18.815 1.00 0.00 C ATOM 737 CD1 PHE A 46 11.185 -2.275 -18.803 1.00 0.00 C ATOM 738 CD2 PHE A 46 13.134 -1.190 -19.722 1.00 0.00 C ATOM 739 CE1 PHE A 46 11.389 -3.362 -19.650 1.00 0.00 C ATOM 740 CE2 PHE A 46 13.333 -2.275 -20.574 1.00 0.00 C ATOM 741 CZ PHE A 46 12.466 -3.363 -20.529 1.00 0.00 C ATOM 0 H PHE A 46 11.533 1.521 -15.787 1.00 0.00 H new ATOM 0 HA PHE A 46 12.342 -1.269 -16.172 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.814 0.131 -17.677 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.287 0.876 -18.264 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.338 -2.268 -18.133 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.804 -0.344 -19.763 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.711 -4.203 -19.624 1.00 0.00 H new ATOM 0 HE2 PHE A 46 14.160 -2.272 -21.269 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.630 -4.210 -21.179 1.00 0.00 H new ATOM 751 N GLN A 47 14.663 -1.039 -15.855 1.00 0.00 N ATOM 752 CA GLN A 47 16.019 -1.072 -15.236 1.00 0.00 C ATOM 753 C GLN A 47 16.040 -2.251 -14.214 1.00 0.00 C ATOM 754 O GLN A 47 16.806 -3.200 -14.399 1.00 0.00 O ATOM 755 CB GLN A 47 16.664 0.238 -14.693 1.00 0.00 C ATOM 756 CG GLN A 47 15.884 1.082 -13.656 1.00 0.00 C ATOM 757 CD GLN A 47 16.717 2.214 -13.035 1.00 0.00 C ATOM 758 OE1 GLN A 47 17.251 2.079 -11.934 1.00 0.00 O ATOM 759 NE2 GLN A 47 16.844 3.349 -13.708 1.00 0.00 N ATOM 0 H GLN A 47 14.192 -1.940 -15.774 1.00 0.00 H new ATOM 0 HA GLN A 47 16.703 -1.224 -16.071 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.623 -0.027 -14.248 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.876 0.880 -15.548 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.004 1.510 -14.136 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.526 0.427 -12.862 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.399 3.454 -14.620 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.387 4.117 -13.314 1.00 0.00 H new ATOM 768 N LYS A 48 15.158 -2.232 -13.186 1.00 0.00 N ATOM 769 CA LYS A 48 14.776 -3.442 -12.400 1.00 0.00 C ATOM 770 C LYS A 48 14.062 -4.535 -13.267 1.00 0.00 C ATOM 771 O LYS A 48 14.466 -5.700 -13.228 1.00 0.00 O ATOM 772 CB LYS A 48 13.879 -3.027 -11.201 1.00 0.00 C ATOM 773 CG LYS A 48 14.524 -2.070 -10.171 1.00 0.00 C ATOM 774 CD LYS A 48 13.520 -1.614 -9.102 1.00 0.00 C ATOM 775 CE LYS A 48 14.113 -0.581 -8.128 1.00 0.00 C ATOM 776 NZ LYS A 48 13.128 -0.167 -7.114 1.00 0.00 N ATOM 0 H LYS A 48 14.689 -1.381 -12.874 1.00 0.00 H new ATOM 0 HA LYS A 48 15.698 -3.893 -12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.979 -2.554 -11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.563 -3.930 -10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.365 -2.569 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.925 -1.198 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.645 -1.185 -9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.177 -2.482 -8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.988 -1.005 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.453 0.292 -8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.560 0.529 -6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.304 0.259 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.823 -0.997 -6.567 1.00 0.00 H new ATOM 790 N VAL A 49 13.048 -4.141 -14.072 1.00 0.00 N ATOM 791 CA VAL A 49 12.417 -5.009 -15.113 1.00 0.00 C ATOM 792 C VAL A 49 13.404 -5.428 -16.250 1.00 0.00 C ATOM 793 O VAL A 49 13.350 -6.588 -16.658 1.00 0.00 O ATOM 794 CB VAL A 49 11.140 -4.360 -15.753 1.00 0.00 C ATOM 795 CG1 VAL A 49 10.291 -5.363 -16.575 1.00 0.00 C ATOM 796 CG2 VAL A 49 10.178 -3.634 -14.778 1.00 0.00 C ATOM 0 H VAL A 49 12.637 -3.209 -14.023 1.00 0.00 H new ATOM 0 HA VAL A 49 12.121 -5.907 -14.570 1.00 0.00 H new ATOM 0 HB VAL A 49 11.591 -3.606 -16.398 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.423 -4.850 -16.990 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.894 -5.771 -17.386 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.958 -6.174 -15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.334 -3.227 -15.335 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.814 -4.341 -14.033 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.709 -2.823 -14.280 1.00 0.00 H new ATOM 806 N LYS A 50 14.259 -4.521 -16.779 1.00 0.00 N ATOM 807 CA LYS A 50 15.206 -4.823 -17.875 1.00 0.00 C ATOM 808 C LYS A 50 16.212 -5.993 -17.613 1.00 0.00 C ATOM 809 O LYS A 50 16.451 -6.793 -18.519 1.00 0.00 O ATOM 810 CB LYS A 50 15.922 -3.479 -18.148 1.00 0.00 C ATOM 811 CG LYS A 50 16.881 -3.427 -19.347 1.00 0.00 C ATOM 812 CD LYS A 50 17.707 -2.125 -19.363 1.00 0.00 C ATOM 813 CE LYS A 50 17.025 -0.867 -19.936 1.00 0.00 C ATOM 814 NZ LYS A 50 16.798 -0.939 -21.392 1.00 0.00 N ATOM 0 H LYS A 50 14.310 -3.555 -16.455 1.00 0.00 H new ATOM 0 HA LYS A 50 14.658 -5.206 -18.736 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.160 -2.713 -18.291 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.483 -3.207 -17.254 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.554 -4.284 -19.312 1.00 0.00 H new ATOM 0 HG3 LYS A 50 16.311 -3.507 -20.272 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.014 -1.907 -18.340 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.616 -2.308 -19.937 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.069 -0.719 -19.433 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.640 0.005 -19.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.337 -0.064 -21.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.709 -1.051 -21.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.187 -1.752 -21.608 1.00 0.00 H new ATOM 828 N GLU A 51 16.754 -6.110 -16.383 1.00 0.00 N ATOM 829 CA GLU A 51 17.511 -7.313 -15.916 1.00 0.00 C ATOM 830 C GLU A 51 16.819 -8.705 -16.121 1.00 0.00 C ATOM 831 O GLU A 51 17.522 -9.683 -16.392 1.00 0.00 O ATOM 832 CB GLU A 51 17.879 -7.125 -14.416 1.00 0.00 C ATOM 833 CG GLU A 51 18.932 -6.031 -14.120 1.00 0.00 C ATOM 834 CD GLU A 51 19.076 -5.744 -12.624 1.00 0.00 C ATOM 835 OE1 GLU A 51 18.329 -4.887 -12.099 1.00 0.00 O ATOM 836 OE2 GLU A 51 19.934 -6.372 -11.965 1.00 0.00 O ATOM 0 H GLU A 51 16.685 -5.377 -15.677 1.00 0.00 H new ATOM 0 HA GLU A 51 18.389 -7.359 -16.560 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.970 -6.888 -13.864 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.249 -8.075 -14.029 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.897 -6.342 -14.521 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.653 -5.113 -14.637 1.00 0.00 H new ATOM 843 N LYS A 52 15.476 -8.790 -16.008 1.00 0.00 N ATOM 844 CA LYS A 52 14.698 -10.024 -16.296 1.00 0.00 C ATOM 845 C LYS A 52 14.232 -10.033 -17.787 1.00 0.00 C ATOM 846 O LYS A 52 14.719 -10.856 -18.566 1.00 0.00 O ATOM 847 CB LYS A 52 13.533 -10.178 -15.270 1.00 0.00 C ATOM 848 CG LYS A 52 13.907 -10.297 -13.772 1.00 0.00 C ATOM 849 CD LYS A 52 14.722 -11.554 -13.397 1.00 0.00 C ATOM 850 CE LYS A 52 15.052 -11.680 -11.896 1.00 0.00 C ATOM 851 NZ LYS A 52 16.047 -10.693 -11.433 1.00 0.00 N ATOM 0 H LYS A 52 14.895 -8.005 -15.714 1.00 0.00 H new ATOM 0 HA LYS A 52 15.330 -10.903 -16.171 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.870 -9.320 -15.383 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.959 -11.063 -15.544 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.478 -9.414 -13.485 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.990 -10.289 -13.183 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.166 -12.438 -13.709 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.654 -11.548 -13.961 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.136 -11.560 -11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.426 -12.684 -11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.225 -10.830 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.934 -10.821 -11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.684 -9.732 -11.594 1.00 0.00 H new ATOM 865 N LEU A 53 13.316 -9.121 -18.177 1.00 0.00 N ATOM 866 CA LEU A 53 12.775 -9.012 -19.552 1.00 0.00 C ATOM 867 C LEU A 53 13.533 -7.843 -20.260 1.00 0.00 C ATOM 868 O LEU A 53 13.143 -6.680 -20.091 1.00 0.00 O ATOM 869 CB LEU A 53 11.244 -8.740 -19.489 1.00 0.00 C ATOM 870 CG LEU A 53 10.288 -9.900 -19.079 1.00 0.00 C ATOM 871 CD1 LEU A 53 10.366 -10.297 -17.589 1.00 0.00 C ATOM 872 CD2 LEU A 53 8.832 -9.526 -19.424 1.00 0.00 C ATOM 0 H LEU A 53 12.925 -8.429 -17.538 1.00 0.00 H new ATOM 0 HA LEU A 53 12.920 -9.935 -20.113 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.084 -7.919 -18.790 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.931 -8.388 -20.472 1.00 0.00 H new ATOM 0 HG LEU A 53 10.621 -10.768 -19.648 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.668 -11.111 -17.392 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.379 -10.622 -17.352 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.106 -9.439 -16.970 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.169 -10.341 -19.135 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.551 -8.621 -18.885 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.746 -9.351 -20.496 1.00 0.00 H new ATOM 884 N LYS A 54 14.618 -8.118 -21.024 1.00 0.00 N ATOM 885 CA LYS A 54 15.473 -7.045 -21.606 1.00 0.00 C ATOM 886 C LYS A 54 14.918 -6.581 -22.982 1.00 0.00 C ATOM 887 O LYS A 54 14.944 -7.333 -23.961 1.00 0.00 O ATOM 888 CB LYS A 54 16.950 -7.526 -21.693 1.00 0.00 C ATOM 889 CG LYS A 54 17.963 -6.396 -21.989 1.00 0.00 C ATOM 890 CD LYS A 54 19.429 -6.865 -21.943 1.00 0.00 C ATOM 891 CE LYS A 54 20.418 -5.715 -22.203 1.00 0.00 C ATOM 892 NZ LYS A 54 21.815 -6.179 -22.134 1.00 0.00 N ATOM 0 H LYS A 54 14.923 -9.064 -21.252 1.00 0.00 H new ATOM 0 HA LYS A 54 15.451 -6.175 -20.950 1.00 0.00 H new ATOM 0 HB2 LYS A 54 17.221 -8.006 -20.753 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.029 -8.284 -22.472 1.00 0.00 H new ATOM 0 HG2 LYS A 54 17.753 -5.978 -22.974 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.823 -5.593 -21.265 1.00 0.00 H new ATOM 0 HD2 LYS A 54 19.637 -7.306 -20.968 1.00 0.00 H new ATOM 0 HD3 LYS A 54 19.581 -7.648 -22.686 1.00 0.00 H new ATOM 0 HE2 LYS A 54 20.225 -5.283 -23.185 1.00 0.00 H new ATOM 0 HE3 LYS A 54 20.259 -4.924 -21.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.456 -5.380 -22.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 22.005 -6.569 -21.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 21.972 -6.916 -22.851 1.00 0.00 H new ATOM 906 N ILE A 55 14.456 -5.319 -23.028 1.00 0.00 N ATOM 907 CA ILE A 55 14.081 -4.627 -24.295 1.00 0.00 C ATOM 908 C ILE A 55 15.080 -3.434 -24.383 1.00 0.00 C ATOM 909 O ILE A 55 14.855 -2.377 -23.784 1.00 0.00 O ATOM 910 CB ILE A 55 12.565 -4.208 -24.327 1.00 0.00 C ATOM 911 CG1 ILE A 55 11.541 -5.353 -24.047 1.00 0.00 C ATOM 912 CG2 ILE A 55 12.182 -3.458 -25.628 1.00 0.00 C ATOM 913 CD1 ILE A 55 11.521 -6.537 -25.031 1.00 0.00 C ATOM 0 H ILE A 55 14.329 -4.743 -22.196 1.00 0.00 H new ATOM 0 HA ILE A 55 14.162 -5.271 -25.171 1.00 0.00 H new ATOM 0 HB ILE A 55 12.485 -3.526 -23.481 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.739 -5.746 -23.050 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.543 -4.915 -24.025 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.125 -3.192 -25.597 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.782 -2.552 -25.716 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.369 -4.102 -26.488 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.765 -7.257 -24.718 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.285 -6.175 -26.031 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.499 -7.018 -25.041 1.00 0.00 H new ATOM 925 N ASP A 56 16.193 -3.631 -25.117 1.00 0.00 N ATOM 926 CA ASP A 56 17.323 -2.662 -25.145 1.00 0.00 C ATOM 927 C ASP A 56 17.024 -1.446 -26.076 1.00 0.00 C ATOM 928 O ASP A 56 16.737 -0.364 -25.556 1.00 0.00 O ATOM 929 CB ASP A 56 18.641 -3.436 -25.431 1.00 0.00 C ATOM 930 CG ASP A 56 19.918 -2.614 -25.213 1.00 0.00 C ATOM 931 OD1 ASP A 56 20.413 -2.555 -24.065 1.00 0.00 O ATOM 932 OD2 ASP A 56 20.429 -2.019 -26.189 1.00 0.00 O ATOM 0 H ASP A 56 16.340 -4.453 -25.702 1.00 0.00 H new ATOM 0 HA ASP A 56 17.455 -2.190 -24.171 1.00 0.00 H new ATOM 0 HB2 ASP A 56 18.677 -4.317 -24.791 1.00 0.00 H new ATOM 0 HB3 ASP A 56 18.623 -3.791 -26.461 1.00 0.00 H new ATOM 937 N SER A 57 17.089 -1.617 -27.419 1.00 0.00 N ATOM 938 CA SER A 57 16.838 -0.544 -28.422 1.00 0.00 C ATOM 939 C SER A 57 17.952 0.532 -28.420 1.00 0.00 C ATOM 940 O SER A 57 17.898 1.478 -27.601 1.00 0.00 O ATOM 941 CB SER A 57 15.395 0.021 -28.387 1.00 0.00 C ATOM 942 OG SER A 57 15.143 0.839 -29.524 1.00 0.00 O ATOM 943 OXT SER A 57 18.890 0.426 -29.241 1.00 0.00 O ATOM 0 H SER A 57 17.320 -2.514 -27.845 1.00 0.00 H new ATOM 0 HA SER A 57 16.899 -1.020 -29.401 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.679 -0.800 -28.359 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.249 0.602 -27.476 1.00 0.00 H new ATOM 0 HG SER A 57 14.226 1.184 -29.482 1.00 0.00 H new TER 949 SER A 57