USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1037 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 115 GLN : amide:sc= -1.75! K(o=-3.3!,f=-2.5) USER MOD Set 1.2: A 117 TYR OH : rot 165:sc= -1.51 USER MOD Set 2.1: A 98 ASN : amide:sc= -4.31! C(o=-5!,f=-4!) USER MOD Set 2.2: A 100 ASN : amide:sc= -0.723 X(o=-5,f=-5!) USER MOD Set 3.1: A 14 TYR OH : rot 113:sc= 0.403 USER MOD Set 3.2: A 18 MET CE :methyl 180:sc= -1.82 (180deg=-1.82) USER MOD Single : A 4 SER OG : rot -26:sc= -2.53! USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.606 USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -0.0496 (180deg=-0.382) USER MOD Single : A 11 SER OG : rot 70:sc= 0.129! USER MOD Single : A 13 ASN : amide:sc= 0.174 K(o=0.17,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.00374) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0.552 (180deg=0.516) USER MOD Single : A 21 MET CE :methyl 155:sc= -0.555 (180deg=-1.09) USER MOD Single : A 24 ASN : amide:sc= -4.66! K(o=-4.7!,f=-0.5) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.61 (180deg=-1.5!) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -1.5 (180deg=-2.17) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 35 ASN : amide:sc= -1.88 K(o=-1.9,f=-2.7!) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -0.0665 (180deg=-0.305) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00293 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -2.4! C(o=-2.4!,f=-2.3!) USER MOD Single : A 45 ASN : amide:sc= -4.74! C(o=-4.7!,f=-1.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -18:sc= 0.139 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -36:sc= -0.294! USER MOD Single : A 53 SER OG : rot -170:sc= -1.01 USER MOD Single : A 57 ASN : amide:sc= -1.77 K(o=-1.8,f=-5.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0963 USER MOD Single : A 69 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.061) USER MOD Single : A 71 ASN : amide:sc= -3.72! C(o=-3.7!,f=-1.9!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.906 USER MOD Single : A 81 THR OG1 : rot -86:sc= -1.7! USER MOD Single : A 83 SER OG : rot 180:sc= -1.04 USER MOD Single : A 87 ASN : amide:sc= -0.825 K(o=-0.83,f=-2.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= -2.35 (180deg=-2.52) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 30:sc= -1.57! USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 67:sc= -0.156! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 130:sc= -3.82 USER MOD Single : A 125 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.183) USER MOD Single : A 129 LYS NZ :NH3+ 156:sc= -0.346 (180deg=-1.42!) USER MOD Single : A 130 LYS NZ :NH3+ 158:sc= -0.026 (180deg=-0.477) USER MOD ----------------------------------------------------------------- ATOM 33 N ASP A 3 114.311 7.371 -9.557 1.00 0.00 N ATOM 34 CA ASP A 3 113.842 8.698 -10.047 1.00 0.00 C ATOM 35 C ASP A 3 113.008 8.490 -11.319 1.00 0.00 C ATOM 36 O ASP A 3 113.310 9.031 -12.364 1.00 0.00 O ATOM 37 CB ASP A 3 115.051 9.586 -10.362 1.00 0.00 C ATOM 38 CG ASP A 3 115.410 10.421 -9.130 1.00 0.00 C ATOM 39 OD1 ASP A 3 116.591 10.600 -8.884 1.00 0.00 O ATOM 40 OD2 ASP A 3 114.498 10.869 -8.457 1.00 0.00 O ATOM 0 HA ASP A 3 113.235 9.182 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.901 8.970 -10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 3 114.825 10.240 -11.204 1.00 0.00 H new ATOM 45 N SER A 4 111.967 7.697 -11.244 1.00 0.00 N ATOM 46 CA SER A 4 111.134 7.450 -12.460 1.00 0.00 C ATOM 47 C SER A 4 109.911 6.592 -12.109 1.00 0.00 C ATOM 48 O SER A 4 109.413 6.623 -10.999 1.00 0.00 O ATOM 49 CB SER A 4 111.976 6.725 -13.510 1.00 0.00 C ATOM 50 OG SER A 4 111.679 5.336 -13.474 1.00 0.00 O ATOM 0 H SER A 4 111.660 7.214 -10.400 1.00 0.00 H new ATOM 0 HA SER A 4 110.791 8.407 -12.852 1.00 0.00 H new ATOM 0 HB2 SER A 4 111.767 7.127 -14.501 1.00 0.00 H new ATOM 0 HB3 SER A 4 113.037 6.887 -13.317 1.00 0.00 H new ATOM 0 HG SER A 4 111.352 5.094 -12.582 1.00 0.00 H new ATOM 56 N THR A 5 109.420 5.832 -13.057 1.00 0.00 N ATOM 57 CA THR A 5 108.222 4.978 -12.798 1.00 0.00 C ATOM 58 C THR A 5 108.634 3.506 -12.696 1.00 0.00 C ATOM 59 O THR A 5 109.351 2.990 -13.530 1.00 0.00 O ATOM 60 CB THR A 5 107.222 5.146 -13.945 1.00 0.00 C ATOM 61 OG1 THR A 5 106.673 6.455 -13.904 1.00 0.00 O ATOM 62 CG2 THR A 5 106.101 4.115 -13.803 1.00 0.00 C ATOM 0 H THR A 5 109.799 5.767 -14.002 1.00 0.00 H new ATOM 0 HA THR A 5 107.763 5.285 -11.858 1.00 0.00 H new ATOM 0 HB THR A 5 107.732 4.995 -14.897 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.034 6.565 -14.639 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.390 4.236 -14.620 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.524 3.111 -13.835 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.589 4.263 -12.852 1.00 0.00 H new ATOM 70 N TRP A 6 108.186 2.831 -11.671 1.00 0.00 N ATOM 71 CA TRP A 6 108.543 1.393 -11.492 1.00 0.00 C ATOM 72 C TRP A 6 107.343 0.673 -10.872 1.00 0.00 C ATOM 73 O TRP A 6 106.495 1.294 -10.271 1.00 0.00 O ATOM 74 CB TRP A 6 109.758 1.295 -10.568 1.00 0.00 C ATOM 75 CG TRP A 6 110.920 1.941 -11.243 1.00 0.00 C ATOM 76 CD1 TRP A 6 111.060 3.270 -11.446 1.00 0.00 C ATOM 77 CD2 TRP A 6 112.101 1.314 -11.817 1.00 0.00 C ATOM 78 NE1 TRP A 6 112.238 3.496 -12.124 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.920 2.321 -12.371 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.533 -0.017 -11.909 1.00 0.00 C ATOM 81 CZ2 TRP A 6 114.128 2.018 -13.001 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.749 -0.329 -12.539 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.545 0.687 -13.086 1.00 0.00 C ATOM 0 H TRP A 6 107.583 3.217 -10.944 1.00 0.00 H new ATOM 0 HA TRP A 6 108.789 0.932 -12.448 1.00 0.00 H new ATOM 0 HB2 TRP A 6 109.551 1.786 -9.617 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.981 0.252 -10.346 1.00 0.00 H new ATOM 0 HD1 TRP A 6 110.362 4.031 -11.129 1.00 0.00 H new ATOM 0 HE1 TRP A 6 112.566 4.419 -12.409 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.926 -0.808 -11.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.736 2.806 -13.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.073 -1.357 -12.602 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.478 0.442 -13.572 1.00 0.00 H new ATOM 94 N LYS A 7 107.244 -0.622 -11.018 1.00 0.00 N ATOM 95 CA LYS A 7 106.069 -1.329 -10.432 1.00 0.00 C ATOM 96 C LYS A 7 106.454 -2.740 -9.990 1.00 0.00 C ATOM 97 O LYS A 7 107.373 -3.342 -10.511 1.00 0.00 O ATOM 98 CB LYS A 7 104.956 -1.411 -11.478 1.00 0.00 C ATOM 99 CG LYS A 7 105.308 -2.476 -12.520 1.00 0.00 C ATOM 100 CD LYS A 7 104.509 -2.224 -13.800 1.00 0.00 C ATOM 101 CE LYS A 7 104.435 -3.514 -14.619 1.00 0.00 C ATOM 102 NZ LYS A 7 103.505 -4.471 -13.956 1.00 0.00 N ATOM 0 H LYS A 7 107.915 -1.213 -11.510 1.00 0.00 H new ATOM 0 HA LYS A 7 105.724 -0.773 -9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 7 104.009 -1.657 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.826 -0.443 -11.962 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.376 -2.450 -12.735 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.085 -3.469 -12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.505 -1.880 -13.552 1.00 0.00 H new ATOM 0 HD3 LYS A 7 104.981 -1.435 -14.386 1.00 0.00 H new ATOM 0 HE2 LYS A 7 104.090 -3.296 -15.630 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.427 -3.957 -14.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 103.123 -5.130 -14.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 104.019 -5.005 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 102.723 -3.946 -13.514 1.00 0.00 H new ATOM 116 N VAL A 8 105.750 -3.269 -9.026 1.00 0.00 N ATOM 117 CA VAL A 8 106.056 -4.638 -8.531 1.00 0.00 C ATOM 118 C VAL A 8 106.345 -5.584 -9.694 1.00 0.00 C ATOM 119 O VAL A 8 105.454 -6.015 -10.399 1.00 0.00 O ATOM 120 CB VAL A 8 104.860 -5.172 -7.754 1.00 0.00 C ATOM 121 CG1 VAL A 8 105.309 -6.321 -6.849 1.00 0.00 C ATOM 122 CG2 VAL A 8 104.264 -4.052 -6.901 1.00 0.00 C ATOM 0 H VAL A 8 104.971 -2.806 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 8 106.936 -4.583 -7.890 1.00 0.00 H new ATOM 0 HB VAL A 8 104.107 -5.535 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 8 104.452 -6.703 -6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 8 105.732 -7.120 -7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 8 106.063 -5.960 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 8 103.408 -4.434 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 8 105.017 -3.687 -6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 8 103.942 -3.235 -7.547 1.00 0.00 H new ATOM 132 N ASP A 9 107.583 -5.941 -9.870 1.00 0.00 N ATOM 133 CA ASP A 9 107.940 -6.897 -10.948 1.00 0.00 C ATOM 134 C ASP A 9 108.036 -8.281 -10.313 1.00 0.00 C ATOM 135 O ASP A 9 107.744 -9.289 -10.926 1.00 0.00 O ATOM 136 CB ASP A 9 109.288 -6.508 -11.558 1.00 0.00 C ATOM 137 CG ASP A 9 109.450 -7.193 -12.916 1.00 0.00 C ATOM 138 OD1 ASP A 9 109.111 -6.577 -13.912 1.00 0.00 O ATOM 139 OD2 ASP A 9 109.912 -8.322 -12.937 1.00 0.00 O ATOM 0 H ASP A 9 108.368 -5.609 -9.309 1.00 0.00 H new ATOM 0 HA ASP A 9 107.191 -6.888 -11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.347 -5.426 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 9 110.099 -6.802 -10.892 1.00 0.00 H new ATOM 144 N ARG A 10 108.426 -8.323 -9.066 1.00 0.00 N ATOM 145 CA ARG A 10 108.531 -9.625 -8.344 1.00 0.00 C ATOM 146 C ARG A 10 108.331 -9.377 -6.843 1.00 0.00 C ATOM 147 O ARG A 10 108.267 -8.249 -6.399 1.00 0.00 O ATOM 148 CB ARG A 10 109.907 -10.252 -8.585 1.00 0.00 C ATOM 149 CG ARG A 10 110.163 -10.376 -10.088 1.00 0.00 C ATOM 150 CD ARG A 10 111.436 -11.190 -10.324 1.00 0.00 C ATOM 151 NE ARG A 10 111.928 -10.954 -11.711 1.00 0.00 N ATOM 152 CZ ARG A 10 112.613 -9.878 -11.986 1.00 0.00 C ATOM 153 NH1 ARG A 10 113.043 -9.671 -13.201 1.00 0.00 N ATOM 154 NH2 ARG A 10 112.870 -9.010 -11.046 1.00 0.00 N ATOM 0 H ARG A 10 108.678 -7.504 -8.513 1.00 0.00 H new ATOM 0 HA ARG A 10 107.767 -10.309 -8.713 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.682 -9.639 -8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 10 109.956 -11.235 -8.116 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.315 -10.859 -10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.264 -9.386 -10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 10 112.201 -10.905 -9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 10 111.235 -12.251 -10.174 1.00 0.00 H new ATOM 0 HE ARG A 10 111.729 -11.634 -12.445 1.00 0.00 H new ATOM 0 HH11 ARG A 10 112.843 -10.350 -13.935 1.00 0.00 H new ATOM 0 HH12 ARG A 10 113.578 -8.830 -13.416 1.00 0.00 H new ATOM 0 HH21 ARG A 10 112.535 -9.173 -10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 10 113.405 -8.169 -11.261 1.00 0.00 H new ATOM 168 N SER A 11 108.230 -10.416 -6.056 1.00 0.00 N ATOM 169 CA SER A 11 108.031 -10.222 -4.588 1.00 0.00 C ATOM 170 C SER A 11 108.113 -11.574 -3.872 1.00 0.00 C ATOM 171 O SER A 11 108.266 -12.605 -4.496 1.00 0.00 O ATOM 172 CB SER A 11 106.655 -9.601 -4.340 1.00 0.00 C ATOM 173 OG SER A 11 106.345 -9.681 -2.957 1.00 0.00 O ATOM 0 H SER A 11 108.276 -11.387 -6.364 1.00 0.00 H new ATOM 0 HA SER A 11 108.808 -9.561 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.649 -8.561 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.897 -10.123 -4.925 1.00 0.00 H new ATOM 0 HG SER A 11 106.924 -9.070 -2.456 1.00 0.00 H new ATOM 179 N GLU A 12 108.012 -11.582 -2.566 1.00 0.00 N ATOM 180 CA GLU A 12 108.085 -12.874 -1.829 1.00 0.00 C ATOM 181 C GLU A 12 107.375 -12.743 -0.477 1.00 0.00 C ATOM 182 O GLU A 12 107.140 -11.655 0.012 1.00 0.00 O ATOM 183 CB GLU A 12 109.557 -13.259 -1.615 1.00 0.00 C ATOM 184 CG GLU A 12 110.010 -12.854 -0.209 1.00 0.00 C ATOM 185 CD GLU A 12 111.536 -12.923 -0.125 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.072 -12.523 0.895 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.143 -13.374 -1.083 1.00 0.00 O ATOM 0 H GLU A 12 107.883 -10.754 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 12 107.591 -13.652 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 12 109.683 -14.333 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.181 -12.768 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.668 -11.844 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.564 -13.516 0.533 1.00 0.00 H new ATOM 194 N ASN A 13 107.037 -13.853 0.127 1.00 0.00 N ATOM 195 CA ASN A 13 106.344 -13.818 1.448 1.00 0.00 C ATOM 196 C ASN A 13 105.023 -13.057 1.322 1.00 0.00 C ATOM 197 O ASN A 13 104.080 -13.527 0.716 1.00 0.00 O ATOM 198 CB ASN A 13 107.241 -13.129 2.482 1.00 0.00 C ATOM 199 CG ASN A 13 108.212 -14.150 3.077 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.627 -15.074 2.406 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.594 -14.023 4.319 1.00 0.00 N ATOM 0 H ASN A 13 107.213 -14.788 -0.241 1.00 0.00 H new ATOM 0 HA ASN A 13 106.138 -14.838 1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.794 -12.315 2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.632 -12.688 3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.240 -14.699 4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.246 -13.248 4.883 1.00 0.00 H new ATOM 208 N TYR A 14 104.943 -11.887 1.892 1.00 0.00 N ATOM 209 CA TYR A 14 103.684 -11.097 1.809 1.00 0.00 C ATOM 210 C TYR A 14 102.616 -11.737 2.691 1.00 0.00 C ATOM 211 O TYR A 14 102.025 -11.087 3.530 1.00 0.00 O ATOM 212 CB TYR A 14 103.203 -11.050 0.354 1.00 0.00 C ATOM 213 CG TYR A 14 102.631 -9.687 0.044 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.317 -8.530 0.440 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.415 -9.578 -0.641 1.00 0.00 C ATOM 216 CE1 TYR A 14 102.785 -7.268 0.148 1.00 0.00 C ATOM 217 CE2 TYR A 14 100.883 -8.316 -0.931 1.00 0.00 C ATOM 218 CZ TYR A 14 101.568 -7.161 -0.536 1.00 0.00 C ATOM 219 OH TYR A 14 101.045 -5.917 -0.821 1.00 0.00 O ATOM 0 H TYR A 14 105.699 -11.443 2.414 1.00 0.00 H new ATOM 0 HA TYR A 14 103.870 -10.081 2.157 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.032 -11.267 -0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.447 -11.817 0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.255 -8.612 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 14 100.886 -10.469 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.314 -6.376 0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 14 99.945 -8.234 -1.459 1.00 0.00 H new ATOM 0 HH TYR A 14 101.060 -5.770 -1.790 1.00 0.00 H new ATOM 229 N ASP A 15 102.361 -13.001 2.521 1.00 0.00 N ATOM 230 CA ASP A 15 101.331 -13.655 3.369 1.00 0.00 C ATOM 231 C ASP A 15 101.766 -13.553 4.826 1.00 0.00 C ATOM 232 O ASP A 15 100.987 -13.221 5.697 1.00 0.00 O ATOM 233 CB ASP A 15 101.183 -15.124 2.972 1.00 0.00 C ATOM 234 CG ASP A 15 102.539 -15.824 3.085 1.00 0.00 C ATOM 235 OD1 ASP A 15 103.479 -15.352 2.469 1.00 0.00 O ATOM 236 OD2 ASP A 15 102.612 -16.819 3.787 1.00 0.00 O ATOM 0 H ASP A 15 102.817 -13.606 1.838 1.00 0.00 H new ATOM 0 HA ASP A 15 100.369 -13.160 3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 15 100.454 -15.614 3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.807 -15.200 1.952 1.00 0.00 H new ATOM 241 N LYS A 16 103.011 -13.816 5.096 1.00 0.00 N ATOM 242 CA LYS A 16 103.498 -13.712 6.495 1.00 0.00 C ATOM 243 C LYS A 16 103.369 -12.254 6.931 1.00 0.00 C ATOM 244 O LYS A 16 103.115 -11.955 8.080 1.00 0.00 O ATOM 245 CB LYS A 16 104.963 -14.153 6.573 1.00 0.00 C ATOM 246 CG LYS A 16 105.136 -15.499 5.862 1.00 0.00 C ATOM 247 CD LYS A 16 104.762 -16.636 6.817 1.00 0.00 C ATOM 248 CE LYS A 16 105.982 -17.026 7.654 1.00 0.00 C ATOM 249 NZ LYS A 16 106.850 -17.947 6.867 1.00 0.00 N ATOM 0 H LYS A 16 103.711 -14.098 4.410 1.00 0.00 H new ATOM 0 HA LYS A 16 102.911 -14.356 7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.604 -13.402 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.272 -14.239 7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.507 -15.536 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 16 106.167 -15.615 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 16 103.946 -16.323 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 16 104.406 -17.497 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 16 106.542 -16.135 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 16 105.663 -17.510 8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 107.801 -17.972 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 106.441 -18.903 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 106.915 -17.609 5.886 1.00 0.00 H new ATOM 263 N PHE A 17 103.523 -11.343 6.008 1.00 0.00 N ATOM 264 CA PHE A 17 103.390 -9.904 6.346 1.00 0.00 C ATOM 265 C PHE A 17 101.924 -9.600 6.605 1.00 0.00 C ATOM 266 O PHE A 17 101.522 -9.241 7.695 1.00 0.00 O ATOM 267 CB PHE A 17 103.860 -9.083 5.154 1.00 0.00 C ATOM 268 CG PHE A 17 104.188 -7.681 5.595 1.00 0.00 C ATOM 269 CD1 PHE A 17 105.236 -7.468 6.489 1.00 0.00 C ATOM 270 CD2 PHE A 17 103.453 -6.596 5.105 1.00 0.00 C ATOM 271 CE1 PHE A 17 105.556 -6.169 6.900 1.00 0.00 C ATOM 272 CE2 PHE A 17 103.768 -5.296 5.516 1.00 0.00 C ATOM 273 CZ PHE A 17 104.820 -5.083 6.413 1.00 0.00 C ATOM 0 H PHE A 17 103.736 -11.539 5.030 1.00 0.00 H new ATOM 0 HA PHE A 17 103.984 -9.663 7.228 1.00 0.00 H new ATOM 0 HB2 PHE A 17 104.738 -9.547 4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.085 -9.061 4.388 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.802 -8.307 6.865 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.643 -6.762 4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 17 106.369 -6.005 7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 17 103.199 -4.458 5.141 1.00 0.00 H new ATOM 0 HZ PHE A 17 105.064 -4.080 6.730 1.00 0.00 H new ATOM 283 N MET A 18 101.124 -9.748 5.594 1.00 0.00 N ATOM 284 CA MET A 18 99.669 -9.477 5.747 1.00 0.00 C ATOM 285 C MET A 18 99.096 -10.375 6.846 1.00 0.00 C ATOM 286 O MET A 18 98.087 -10.063 7.448 1.00 0.00 O ATOM 287 CB MET A 18 98.953 -9.764 4.425 1.00 0.00 C ATOM 288 CG MET A 18 99.008 -8.521 3.534 1.00 0.00 C ATOM 289 SD MET A 18 100.734 -8.098 3.194 1.00 0.00 S ATOM 290 CE MET A 18 100.421 -6.526 2.354 1.00 0.00 C ATOM 0 H MET A 18 101.414 -10.046 4.663 1.00 0.00 H new ATOM 0 HA MET A 18 99.521 -8.432 6.019 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.424 -10.608 3.920 1.00 0.00 H new ATOM 0 HB3 MET A 18 97.917 -10.044 4.614 1.00 0.00 H new ATOM 0 HG2 MET A 18 98.477 -8.706 2.600 1.00 0.00 H new ATOM 0 HG3 MET A 18 98.508 -7.686 4.025 1.00 0.00 H new ATOM 0 HE1 MET A 18 101.368 -6.081 2.051 1.00 0.00 H new ATOM 0 HE2 MET A 18 99.804 -6.701 1.473 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.902 -5.848 3.032 1.00 0.00 H new ATOM 300 N GLU A 19 99.727 -11.485 7.116 1.00 0.00 N ATOM 301 CA GLU A 19 99.209 -12.388 8.180 1.00 0.00 C ATOM 302 C GLU A 19 99.630 -11.851 9.547 1.00 0.00 C ATOM 303 O GLU A 19 98.954 -12.047 10.538 1.00 0.00 O ATOM 304 CB GLU A 19 99.780 -13.795 7.984 1.00 0.00 C ATOM 305 CG GLU A 19 99.335 -14.696 9.139 1.00 0.00 C ATOM 306 CD GLU A 19 97.808 -14.681 9.240 1.00 0.00 C ATOM 307 OE1 GLU A 19 97.309 -14.608 10.351 1.00 0.00 O ATOM 308 OE2 GLU A 19 97.165 -14.743 8.205 1.00 0.00 O ATOM 0 H GLU A 19 100.575 -11.804 6.648 1.00 0.00 H new ATOM 0 HA GLU A 19 98.121 -12.431 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.438 -14.208 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.868 -13.754 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.689 -15.714 8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 19 99.775 -14.350 10.074 1.00 0.00 H new ATOM 315 N LYS A 20 100.740 -11.168 9.610 1.00 0.00 N ATOM 316 CA LYS A 20 101.196 -10.614 10.914 1.00 0.00 C ATOM 317 C LYS A 20 100.283 -9.456 11.311 1.00 0.00 C ATOM 318 O LYS A 20 99.881 -9.330 12.450 1.00 0.00 O ATOM 319 CB LYS A 20 102.640 -10.119 10.786 1.00 0.00 C ATOM 320 CG LYS A 20 103.399 -10.408 12.085 1.00 0.00 C ATOM 321 CD LYS A 20 103.910 -11.850 12.068 1.00 0.00 C ATOM 322 CE LYS A 20 104.784 -12.097 13.298 1.00 0.00 C ATOM 323 NZ LYS A 20 106.185 -11.679 13.004 1.00 0.00 N ATOM 0 H LYS A 20 101.349 -10.970 8.816 1.00 0.00 H new ATOM 0 HA LYS A 20 101.154 -11.389 11.679 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.132 -10.613 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.651 -9.049 10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.235 -9.716 12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.745 -10.253 12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.070 -12.544 12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 20 104.483 -12.033 11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.398 -11.538 14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 20 104.757 -13.152 13.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 106.777 -11.831 13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 106.557 -12.243 12.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 106.200 -10.671 12.748 1.00 0.00 H new ATOM 337 N MET A 21 99.945 -8.614 10.376 1.00 0.00 N ATOM 338 CA MET A 21 99.050 -7.469 10.698 1.00 0.00 C ATOM 339 C MET A 21 97.658 -8.005 11.044 1.00 0.00 C ATOM 340 O MET A 21 96.782 -7.269 11.451 1.00 0.00 O ATOM 341 CB MET A 21 98.954 -6.535 9.487 1.00 0.00 C ATOM 342 CG MET A 21 99.997 -5.421 9.609 1.00 0.00 C ATOM 343 SD MET A 21 99.714 -4.186 8.317 1.00 0.00 S ATOM 344 CE MET A 21 101.107 -4.643 7.256 1.00 0.00 C ATOM 0 H MET A 21 100.249 -8.669 9.404 1.00 0.00 H new ATOM 0 HA MET A 21 99.452 -6.915 11.546 1.00 0.00 H new ATOM 0 HB2 MET A 21 99.115 -7.098 8.568 1.00 0.00 H new ATOM 0 HB3 MET A 21 97.954 -6.105 9.426 1.00 0.00 H new ATOM 0 HG2 MET A 21 99.934 -4.955 10.592 1.00 0.00 H new ATOM 0 HG3 MET A 21 101.001 -5.836 9.517 1.00 0.00 H new ATOM 0 HE1 MET A 21 100.895 -4.345 6.229 1.00 0.00 H new ATOM 0 HE2 MET A 21 102.009 -4.138 7.602 1.00 0.00 H new ATOM 0 HE3 MET A 21 101.257 -5.722 7.297 1.00 0.00 H new ATOM 354 N GLY A 22 97.449 -9.285 10.882 1.00 0.00 N ATOM 355 CA GLY A 22 96.114 -9.866 11.202 1.00 0.00 C ATOM 356 C GLY A 22 95.098 -9.422 10.149 1.00 0.00 C ATOM 357 O GLY A 22 93.931 -9.242 10.434 1.00 0.00 O ATOM 0 H GLY A 22 98.143 -9.951 10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.176 -10.954 11.227 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.793 -9.542 12.192 1.00 0.00 H new ATOM 361 N VAL A 23 95.532 -9.244 8.932 1.00 0.00 N ATOM 362 CA VAL A 23 94.592 -8.811 7.860 1.00 0.00 C ATOM 363 C VAL A 23 93.692 -9.982 7.464 1.00 0.00 C ATOM 364 O VAL A 23 94.156 -11.076 7.208 1.00 0.00 O ATOM 365 CB VAL A 23 95.391 -8.346 6.641 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.458 -7.638 5.657 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.488 -7.378 7.090 1.00 0.00 C ATOM 0 H VAL A 23 96.498 -9.380 8.633 1.00 0.00 H new ATOM 0 HA VAL A 23 93.976 -7.990 8.227 1.00 0.00 H new ATOM 0 HB VAL A 23 95.844 -9.209 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.028 -7.307 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 23 93.676 -8.327 5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.004 -6.775 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.058 -7.046 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.035 -6.515 7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.154 -7.882 7.790 1.00 0.00 H new ATOM 377 N ASN A 24 92.406 -9.763 7.408 1.00 0.00 N ATOM 378 CA ASN A 24 91.479 -10.865 7.027 1.00 0.00 C ATOM 379 C ASN A 24 91.979 -11.527 5.742 1.00 0.00 C ATOM 380 O ASN A 24 92.927 -11.078 5.130 1.00 0.00 O ATOM 381 CB ASN A 24 90.077 -10.295 6.795 1.00 0.00 C ATOM 382 CG ASN A 24 89.575 -9.633 8.080 1.00 0.00 C ATOM 383 OD1 ASN A 24 88.412 -9.303 8.193 1.00 0.00 O ATOM 384 ND2 ASN A 24 90.410 -9.425 9.061 1.00 0.00 N ATOM 0 H ASN A 24 91.958 -8.869 7.610 1.00 0.00 H new ATOM 0 HA ASN A 24 91.443 -11.604 7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.098 -9.568 5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.395 -11.090 6.493 1.00 0.00 H new ATOM 0 HD21 ASN A 24 90.086 -8.985 9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 24 91.387 -9.702 8.966 1.00 0.00 H new ATOM 391 N ILE A 25 91.350 -12.593 5.327 1.00 0.00 N ATOM 392 CA ILE A 25 91.796 -13.279 4.082 1.00 0.00 C ATOM 393 C ILE A 25 91.162 -12.594 2.879 1.00 0.00 C ATOM 394 O ILE A 25 91.394 -12.944 1.739 1.00 0.00 O ATOM 395 CB ILE A 25 91.376 -14.751 4.138 1.00 0.00 C ATOM 396 CG1 ILE A 25 92.457 -15.565 4.859 1.00 0.00 C ATOM 397 CG2 ILE A 25 91.181 -15.294 2.720 1.00 0.00 C ATOM 398 CD1 ILE A 25 93.596 -15.896 3.891 1.00 0.00 C ATOM 0 H ILE A 25 90.549 -13.017 5.795 1.00 0.00 H new ATOM 0 HA ILE A 25 92.881 -13.224 3.992 1.00 0.00 H new ATOM 0 HB ILE A 25 90.435 -14.834 4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 25 92.843 -15.001 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.027 -16.485 5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 25 90.883 -16.341 2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 25 90.406 -14.719 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 25 92.116 -15.209 2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 25 94.359 -16.474 4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 25 93.206 -16.478 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.034 -14.971 3.515 1.00 0.00 H new ATOM 410 N VAL A 26 90.372 -11.614 3.143 1.00 0.00 N ATOM 411 CA VAL A 26 89.701 -10.867 2.044 1.00 0.00 C ATOM 412 C VAL A 26 90.666 -9.827 1.481 1.00 0.00 C ATOM 413 O VAL A 26 91.012 -9.849 0.315 1.00 0.00 O ATOM 414 CB VAL A 26 88.454 -10.166 2.587 1.00 0.00 C ATOM 415 CG1 VAL A 26 87.928 -9.178 1.544 1.00 0.00 C ATOM 416 CG2 VAL A 26 87.376 -11.210 2.889 1.00 0.00 C ATOM 0 H VAL A 26 90.152 -11.285 4.083 1.00 0.00 H new ATOM 0 HA VAL A 26 89.409 -11.561 1.256 1.00 0.00 H new ATOM 0 HB VAL A 26 88.708 -9.628 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 26 87.040 -8.679 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 26 88.696 -8.435 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 26 87.673 -9.715 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 26 86.486 -10.713 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.123 -11.747 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 26 87.750 -11.915 3.632 1.00 0.00 H new ATOM 426 N LYS A 27 91.111 -8.921 2.302 1.00 0.00 N ATOM 427 CA LYS A 27 92.062 -7.885 1.816 1.00 0.00 C ATOM 428 C LYS A 27 93.283 -8.582 1.220 1.00 0.00 C ATOM 429 O LYS A 27 93.830 -8.154 0.222 1.00 0.00 O ATOM 430 CB LYS A 27 92.492 -6.993 2.988 1.00 0.00 C ATOM 431 CG LYS A 27 91.888 -5.596 2.826 1.00 0.00 C ATOM 432 CD LYS A 27 90.370 -5.671 3.001 1.00 0.00 C ATOM 433 CE LYS A 27 89.721 -4.444 2.357 1.00 0.00 C ATOM 434 NZ LYS A 27 90.702 -3.323 2.322 1.00 0.00 N ATOM 0 H LYS A 27 90.858 -8.852 3.288 1.00 0.00 H new ATOM 0 HA LYS A 27 91.584 -7.266 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.166 -7.433 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.579 -6.927 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.316 -4.916 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 27 92.132 -5.195 1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 27 89.985 -6.582 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.117 -5.716 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.390 -4.683 1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.836 -4.149 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 90.196 -2.423 2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 91.233 -3.298 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 91.362 -3.464 1.531 1.00 0.00 H new ATOM 448 N ARG A 28 93.709 -9.659 1.818 1.00 0.00 N ATOM 449 CA ARG A 28 94.888 -10.391 1.282 1.00 0.00 C ATOM 450 C ARG A 28 94.546 -10.943 -0.102 1.00 0.00 C ATOM 451 O ARG A 28 95.277 -10.754 -1.054 1.00 0.00 O ATOM 452 CB ARG A 28 95.249 -11.548 2.218 1.00 0.00 C ATOM 453 CG ARG A 28 96.257 -12.473 1.523 1.00 0.00 C ATOM 454 CD ARG A 28 97.335 -12.912 2.519 1.00 0.00 C ATOM 455 NE ARG A 28 98.438 -13.591 1.783 1.00 0.00 N ATOM 456 CZ ARG A 28 99.221 -12.900 0.998 1.00 0.00 C ATOM 457 NH1 ARG A 28 100.181 -13.496 0.345 1.00 0.00 N ATOM 458 NH2 ARG A 28 99.042 -11.615 0.868 1.00 0.00 N ATOM 0 H ARG A 28 93.291 -10.064 2.656 1.00 0.00 H new ATOM 0 HA ARG A 28 95.737 -9.711 1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.673 -11.161 3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 28 94.352 -12.106 2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 28 95.744 -13.347 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 28 96.717 -11.957 0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 28 97.721 -12.048 3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 28 96.908 -13.587 3.261 1.00 0.00 H new ATOM 0 HE ARG A 28 98.582 -14.595 1.892 1.00 0.00 H new ATOM 0 HH11 ARG A 28 100.320 -14.501 0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 28 100.792 -12.957 -0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.291 -11.150 1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 28 99.653 -11.074 0.255 1.00 0.00 H new ATOM 472 N LYS A 29 93.436 -11.621 -0.226 1.00 0.00 N ATOM 473 CA LYS A 29 93.054 -12.175 -1.553 1.00 0.00 C ATOM 474 C LYS A 29 93.152 -11.068 -2.601 1.00 0.00 C ATOM 475 O LYS A 29 93.537 -11.298 -3.731 1.00 0.00 O ATOM 476 CB LYS A 29 91.618 -12.701 -1.495 1.00 0.00 C ATOM 477 CG LYS A 29 91.237 -13.302 -2.851 1.00 0.00 C ATOM 478 CD LYS A 29 89.768 -13.728 -2.829 1.00 0.00 C ATOM 479 CE LYS A 29 89.550 -14.766 -1.726 1.00 0.00 C ATOM 480 NZ LYS A 29 90.742 -15.658 -1.641 1.00 0.00 N ATOM 0 H LYS A 29 92.781 -11.813 0.532 1.00 0.00 H new ATOM 0 HA LYS A 29 93.724 -12.993 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 29 91.527 -13.455 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 29 90.934 -11.892 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 29 91.403 -12.572 -3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 29 91.872 -14.160 -3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 29 89.130 -12.861 -2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 29 89.486 -14.145 -3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 29 89.386 -14.268 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 29 88.657 -15.354 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 90.469 -16.562 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 91.113 -15.833 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 91.476 -15.202 -1.063 1.00 0.00 H new ATOM 494 N LEU A 30 92.808 -9.865 -2.233 1.00 0.00 N ATOM 495 CA LEU A 30 92.881 -8.739 -3.203 1.00 0.00 C ATOM 496 C LEU A 30 94.283 -8.151 -3.189 1.00 0.00 C ATOM 497 O LEU A 30 94.669 -7.382 -4.047 1.00 0.00 O ATOM 498 CB LEU A 30 91.859 -7.661 -2.833 1.00 0.00 C ATOM 499 CG LEU A 30 90.451 -8.262 -2.861 1.00 0.00 C ATOM 500 CD1 LEU A 30 89.541 -7.476 -1.914 1.00 0.00 C ATOM 501 CD2 LEU A 30 89.892 -8.185 -4.284 1.00 0.00 C ATOM 0 H LEU A 30 92.479 -9.614 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 30 92.653 -9.109 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.077 -7.263 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 30 91.924 -6.827 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 30 90.495 -9.303 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 30 88.539 -7.904 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 30 89.938 -7.529 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 30 89.497 -6.434 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 30 88.890 -8.613 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 30 89.849 -7.143 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 30 90.539 -8.744 -4.960 1.00 0.00 H new ATOM 513 N ALA A 31 95.037 -8.517 -2.212 1.00 0.00 N ATOM 514 CA ALA A 31 96.430 -8.006 -2.094 1.00 0.00 C ATOM 515 C ALA A 31 97.366 -8.861 -2.950 1.00 0.00 C ATOM 516 O ALA A 31 98.297 -8.365 -3.551 1.00 0.00 O ATOM 517 CB ALA A 31 96.878 -8.068 -0.633 1.00 0.00 C ATOM 0 H ALA A 31 94.752 -9.159 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 31 96.464 -6.973 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 31 97.898 -7.693 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.215 -7.455 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 31 96.841 -9.100 -0.284 1.00 0.00 H new ATOM 523 N ALA A 32 97.127 -10.143 -3.007 1.00 0.00 N ATOM 524 CA ALA A 32 98.007 -11.027 -3.824 1.00 0.00 C ATOM 525 C ALA A 32 98.331 -10.335 -5.148 1.00 0.00 C ATOM 526 O ALA A 32 99.432 -10.422 -5.655 1.00 0.00 O ATOM 527 CB ALA A 32 97.290 -12.350 -4.101 1.00 0.00 C ATOM 0 H ALA A 32 96.363 -10.616 -2.525 1.00 0.00 H new ATOM 0 HA ALA A 32 98.930 -11.224 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 32 97.934 -12.995 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 32 97.058 -12.843 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 32 96.366 -12.156 -4.646 1.00 0.00 H new ATOM 533 N HIS A 33 97.381 -9.640 -5.708 1.00 0.00 N ATOM 534 CA HIS A 33 97.630 -8.935 -6.995 1.00 0.00 C ATOM 535 C HIS A 33 97.938 -7.465 -6.709 1.00 0.00 C ATOM 536 O HIS A 33 97.593 -6.585 -7.472 1.00 0.00 O ATOM 537 CB HIS A 33 96.387 -9.033 -7.882 1.00 0.00 C ATOM 538 CG HIS A 33 96.233 -10.446 -8.376 1.00 0.00 C ATOM 539 ND1 HIS A 33 95.566 -11.417 -7.643 1.00 0.00 N ATOM 540 CD2 HIS A 33 96.656 -11.067 -9.526 1.00 0.00 C ATOM 541 CE1 HIS A 33 95.605 -12.560 -8.355 1.00 0.00 C ATOM 542 NE2 HIS A 33 96.257 -12.398 -9.507 1.00 0.00 N ATOM 0 H HIS A 33 96.441 -9.530 -5.329 1.00 0.00 H new ATOM 0 HA HIS A 33 98.475 -9.395 -7.508 1.00 0.00 H new ATOM 0 HB2 HIS A 33 95.502 -8.734 -7.320 1.00 0.00 H new ATOM 0 HB3 HIS A 33 96.475 -8.349 -8.726 1.00 0.00 H new ATOM 0 HD2 HIS A 33 97.212 -10.594 -10.322 1.00 0.00 H new ATOM 0 HE1 HIS A 33 95.163 -13.491 -8.033 1.00 0.00 H new ATOM 0 HE2 HIS A 33 96.427 -13.103 -10.224 1.00 0.00 H new ATOM 550 N ASP A 34 98.586 -7.194 -5.610 1.00 0.00 N ATOM 551 CA ASP A 34 98.918 -5.783 -5.266 1.00 0.00 C ATOM 552 C ASP A 34 100.140 -5.337 -6.069 1.00 0.00 C ATOM 553 O ASP A 34 100.994 -4.631 -5.573 1.00 0.00 O ATOM 554 CB ASP A 34 99.226 -5.682 -3.770 1.00 0.00 C ATOM 555 CG ASP A 34 99.616 -4.244 -3.425 1.00 0.00 C ATOM 556 OD1 ASP A 34 100.628 -4.068 -2.768 1.00 0.00 O ATOM 557 OD2 ASP A 34 98.895 -3.344 -3.824 1.00 0.00 O ATOM 0 H ASP A 34 98.900 -7.890 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 34 98.071 -5.141 -5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 34 98.355 -5.984 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 34 100.036 -6.363 -3.508 1.00 0.00 H new ATOM 562 N ASN A 35 100.230 -5.741 -7.306 1.00 0.00 N ATOM 563 CA ASN A 35 101.397 -5.336 -8.138 1.00 0.00 C ATOM 564 C ASN A 35 101.253 -3.862 -8.525 1.00 0.00 C ATOM 565 O ASN A 35 101.464 -3.480 -9.659 1.00 0.00 O ATOM 566 CB ASN A 35 101.451 -6.197 -9.402 1.00 0.00 C ATOM 567 CG ASN A 35 100.121 -6.089 -10.151 1.00 0.00 C ATOM 568 OD1 ASN A 35 99.630 -5.004 -10.387 1.00 0.00 O ATOM 569 ND2 ASN A 35 99.514 -7.178 -10.536 1.00 0.00 N ATOM 0 H ASN A 35 99.546 -6.334 -7.776 1.00 0.00 H new ATOM 0 HA ASN A 35 102.317 -5.476 -7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 35 102.269 -5.869 -10.043 1.00 0.00 H new ATOM 0 HB3 ASN A 35 101.649 -7.236 -9.139 1.00 0.00 H new ATOM 0 HD21 ASN A 35 98.627 -7.118 -11.035 1.00 0.00 H new ATOM 0 HD22 ASN A 35 99.927 -8.089 -10.338 1.00 0.00 H new ATOM 576 N LEU A 36 100.872 -3.039 -7.590 1.00 0.00 N ATOM 577 CA LEU A 36 100.683 -1.591 -7.887 1.00 0.00 C ATOM 578 C LEU A 36 101.926 -0.984 -8.545 1.00 0.00 C ATOM 579 O LEU A 36 102.990 -1.583 -8.601 1.00 0.00 O ATOM 580 CB LEU A 36 100.389 -0.837 -6.584 1.00 0.00 C ATOM 581 CG LEU A 36 101.655 -0.750 -5.720 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.465 0.322 -4.646 1.00 0.00 C ATOM 583 CD2 LEU A 36 101.912 -2.099 -5.047 1.00 0.00 C ATOM 0 H LEU A 36 100.682 -3.309 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 36 99.847 -1.497 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.026 0.165 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.598 -1.346 -6.032 1.00 0.00 H new ATOM 0 HG LEU A 36 102.505 -0.491 -6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.363 0.385 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.283 1.286 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.613 0.061 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.811 -2.035 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.061 -2.359 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.047 -2.866 -5.809 1.00 0.00 H new ATOM 595 N LYS A 37 101.782 0.225 -9.022 1.00 0.00 N ATOM 596 CA LYS A 37 102.915 0.944 -9.663 1.00 0.00 C ATOM 597 C LYS A 37 103.325 2.090 -8.741 1.00 0.00 C ATOM 598 O LYS A 37 102.508 2.646 -8.036 1.00 0.00 O ATOM 599 CB LYS A 37 102.458 1.509 -11.010 1.00 0.00 C ATOM 600 CG LYS A 37 103.651 2.128 -11.748 1.00 0.00 C ATOM 601 CD LYS A 37 103.544 1.828 -13.247 1.00 0.00 C ATOM 602 CE LYS A 37 102.346 2.574 -13.838 1.00 0.00 C ATOM 603 NZ LYS A 37 102.789 3.903 -14.347 1.00 0.00 N ATOM 0 H LYS A 37 100.909 0.751 -8.992 1.00 0.00 H new ATOM 0 HA LYS A 37 103.755 0.269 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 37 102.016 0.717 -11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.685 2.261 -10.855 1.00 0.00 H new ATOM 0 HG2 LYS A 37 103.673 3.205 -11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 37 104.584 1.726 -11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 37 104.460 2.131 -13.755 1.00 0.00 H new ATOM 0 HD3 LYS A 37 103.431 0.756 -13.406 1.00 0.00 H new ATOM 0 HE2 LYS A 37 101.905 1.992 -14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 37 101.574 2.702 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 101.956 4.488 -14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 103.369 4.376 -13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 103.352 3.773 -15.212 1.00 0.00 H new ATOM 617 N LEU A 38 104.579 2.445 -8.721 1.00 0.00 N ATOM 618 CA LEU A 38 105.011 3.548 -7.818 1.00 0.00 C ATOM 619 C LEU A 38 105.982 4.482 -8.539 1.00 0.00 C ATOM 620 O LEU A 38 107.019 4.072 -9.024 1.00 0.00 O ATOM 621 CB LEU A 38 105.704 2.958 -6.586 1.00 0.00 C ATOM 622 CG LEU A 38 104.966 1.694 -6.131 1.00 0.00 C ATOM 623 CD1 LEU A 38 105.458 0.477 -6.927 1.00 0.00 C ATOM 624 CD2 LEU A 38 105.228 1.465 -4.640 1.00 0.00 C ATOM 0 H LEU A 38 105.317 2.024 -9.285 1.00 0.00 H new ATOM 0 HA LEU A 38 104.131 4.116 -7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.742 2.720 -6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.719 3.691 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 38 103.898 1.823 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.926 -0.414 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 38 105.270 0.637 -7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.527 0.344 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.705 0.567 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 38 106.298 1.343 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.868 2.322 -4.071 1.00 0.00 H new ATOM 636 N THR A 39 105.662 5.747 -8.584 1.00 0.00 N ATOM 637 CA THR A 39 106.569 6.727 -9.238 1.00 0.00 C ATOM 638 C THR A 39 107.452 7.338 -8.151 1.00 0.00 C ATOM 639 O THR A 39 106.987 8.086 -7.314 1.00 0.00 O ATOM 640 CB THR A 39 105.744 7.825 -9.918 1.00 0.00 C ATOM 641 OG1 THR A 39 104.483 7.296 -10.303 1.00 0.00 O ATOM 642 CG2 THR A 39 106.486 8.334 -11.156 1.00 0.00 C ATOM 0 H THR A 39 104.807 6.143 -8.194 1.00 0.00 H new ATOM 0 HA THR A 39 107.180 6.237 -9.996 1.00 0.00 H new ATOM 0 HB THR A 39 105.596 8.651 -9.223 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.953 7.997 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.897 9.115 -11.638 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.453 8.740 -10.859 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.637 7.510 -11.854 1.00 0.00 H new ATOM 650 N ILE A 40 108.711 7.006 -8.136 1.00 0.00 N ATOM 651 CA ILE A 40 109.603 7.549 -7.073 1.00 0.00 C ATOM 652 C ILE A 40 110.479 8.673 -7.622 1.00 0.00 C ATOM 653 O ILE A 40 111.168 8.515 -8.613 1.00 0.00 O ATOM 654 CB ILE A 40 110.496 6.427 -6.539 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.707 5.111 -6.506 1.00 0.00 C ATOM 656 CG2 ILE A 40 110.961 6.780 -5.125 1.00 0.00 C ATOM 657 CD1 ILE A 40 110.035 4.281 -7.750 1.00 0.00 C ATOM 0 H ILE A 40 109.161 6.386 -8.809 1.00 0.00 H new ATOM 0 HA ILE A 40 108.984 7.950 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 40 111.362 6.311 -7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.956 4.549 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.638 5.318 -6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.597 5.983 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.524 7.713 -5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.094 6.896 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.473 3.347 -7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 40 109.763 4.842 -8.644 1.00 0.00 H new ATOM 0 HD13 ILE A 40 111.102 4.061 -7.770 1.00 0.00 H new ATOM 669 N THR A 41 110.470 9.801 -6.964 1.00 0.00 N ATOM 670 CA THR A 41 111.309 10.942 -7.404 1.00 0.00 C ATOM 671 C THR A 41 112.117 11.425 -6.202 1.00 0.00 C ATOM 672 O THR A 41 111.697 11.283 -5.070 1.00 0.00 O ATOM 673 CB THR A 41 110.414 12.073 -7.910 1.00 0.00 C ATOM 674 OG1 THR A 41 109.257 11.521 -8.525 1.00 0.00 O ATOM 675 CG2 THR A 41 111.181 12.921 -8.925 1.00 0.00 C ATOM 0 H THR A 41 109.909 9.978 -6.131 1.00 0.00 H new ATOM 0 HA THR A 41 111.975 10.635 -8.210 1.00 0.00 H new ATOM 0 HB THR A 41 110.114 12.701 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 41 108.681 12.245 -8.848 1.00 0.00 H new ATOM 0 HG21 THR A 41 110.540 13.727 -9.284 1.00 0.00 H new ATOM 0 HG22 THR A 41 112.066 13.345 -8.450 1.00 0.00 H new ATOM 0 HG23 THR A 41 111.484 12.297 -9.765 1.00 0.00 H new ATOM 683 N GLN A 42 113.269 11.989 -6.423 1.00 0.00 N ATOM 684 CA GLN A 42 114.083 12.464 -5.270 1.00 0.00 C ATOM 685 C GLN A 42 114.759 13.789 -5.623 1.00 0.00 C ATOM 686 O GLN A 42 115.232 13.984 -6.724 1.00 0.00 O ATOM 687 CB GLN A 42 115.147 11.417 -4.928 1.00 0.00 C ATOM 688 CG GLN A 42 116.314 11.521 -5.912 1.00 0.00 C ATOM 689 CD GLN A 42 117.101 10.209 -5.911 1.00 0.00 C ATOM 690 OE1 GLN A 42 117.250 9.575 -6.936 1.00 0.00 O ATOM 691 NE2 GLN A 42 117.613 9.772 -4.794 1.00 0.00 N ATOM 0 H GLN A 42 113.681 12.141 -7.344 1.00 0.00 H new ATOM 0 HA GLN A 42 113.432 12.614 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 42 115.504 11.568 -3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 42 114.713 10.418 -4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 42 115.941 11.733 -6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 42 116.966 12.349 -5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.488 10.304 -3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.138 8.898 -4.781 1.00 0.00 H new ATOM 700 N GLU A 43 114.812 14.703 -4.691 1.00 0.00 N ATOM 701 CA GLU A 43 115.461 16.014 -4.972 1.00 0.00 C ATOM 702 C GLU A 43 116.282 16.448 -3.757 1.00 0.00 C ATOM 703 O GLU A 43 115.869 17.285 -2.980 1.00 0.00 O ATOM 704 CB GLU A 43 114.387 17.062 -5.267 1.00 0.00 C ATOM 705 CG GLU A 43 113.644 16.687 -6.552 1.00 0.00 C ATOM 706 CD GLU A 43 114.621 16.701 -7.729 1.00 0.00 C ATOM 707 OE1 GLU A 43 115.414 17.626 -7.806 1.00 0.00 O ATOM 708 OE2 GLU A 43 114.559 15.788 -8.535 1.00 0.00 O ATOM 0 H GLU A 43 114.434 14.598 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 43 116.118 15.917 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 43 113.686 17.124 -4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 43 114.844 18.046 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 43 113.195 15.699 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 43 112.830 17.390 -6.733 1.00 0.00 H new ATOM 715 N GLY A 44 117.452 15.892 -3.597 1.00 0.00 N ATOM 716 CA GLY A 44 118.316 16.275 -2.444 1.00 0.00 C ATOM 717 C GLY A 44 117.602 15.993 -1.117 1.00 0.00 C ATOM 718 O GLY A 44 117.751 14.939 -0.533 1.00 0.00 O ATOM 0 H GLY A 44 117.848 15.186 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 44 119.253 15.719 -2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 44 118.570 17.333 -2.509 1.00 0.00 H new ATOM 722 N ASN A 45 116.846 16.940 -0.628 1.00 0.00 N ATOM 723 CA ASN A 45 116.141 16.749 0.675 1.00 0.00 C ATOM 724 C ASN A 45 114.626 16.784 0.470 1.00 0.00 C ATOM 725 O ASN A 45 113.881 17.158 1.353 1.00 0.00 O ATOM 726 CB ASN A 45 116.555 17.859 1.646 1.00 0.00 C ATOM 727 CG ASN A 45 117.909 18.431 1.222 1.00 0.00 C ATOM 728 OD1 ASN A 45 118.856 18.409 1.982 1.00 0.00 O ATOM 729 ND2 ASN A 45 118.041 18.945 0.030 1.00 0.00 N ATOM 0 H ASN A 45 116.685 17.842 -1.077 1.00 0.00 H new ATOM 0 HA ASN A 45 116.416 15.779 1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.802 18.647 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 45 116.617 17.465 2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 45 118.940 19.328 -0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 45 117.246 18.963 -0.608 1.00 0.00 H new ATOM 736 N LYS A 46 114.163 16.392 -0.679 1.00 0.00 N ATOM 737 CA LYS A 46 112.715 16.393 -0.938 1.00 0.00 C ATOM 738 C LYS A 46 112.404 15.207 -1.842 1.00 0.00 C ATOM 739 O LYS A 46 112.764 15.174 -3.001 1.00 0.00 O ATOM 740 CB LYS A 46 112.327 17.699 -1.633 1.00 0.00 C ATOM 741 CG LYS A 46 110.911 17.584 -2.202 1.00 0.00 C ATOM 742 CD LYS A 46 110.962 17.585 -3.733 1.00 0.00 C ATOM 743 CE LYS A 46 109.541 17.668 -4.292 1.00 0.00 C ATOM 744 NZ LYS A 46 109.598 17.982 -5.748 1.00 0.00 N ATOM 0 H LYS A 46 114.740 16.068 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 46 112.153 16.313 -0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 46 112.378 18.527 -0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 46 113.033 17.919 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 46 110.440 16.668 -1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 46 110.300 18.415 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 46 111.553 18.430 -4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 46 111.453 16.680 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 46 109.020 16.724 -4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 46 108.976 18.437 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 108.632 18.039 -6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 110.079 18.893 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 110.123 17.234 -6.244 1.00 0.00 H new ATOM 758 N PHE A 47 111.742 14.236 -1.305 1.00 0.00 N ATOM 759 CA PHE A 47 111.391 13.027 -2.101 1.00 0.00 C ATOM 760 C PHE A 47 109.910 13.074 -2.461 1.00 0.00 C ATOM 761 O PHE A 47 109.163 13.875 -1.937 1.00 0.00 O ATOM 762 CB PHE A 47 111.676 11.772 -1.275 1.00 0.00 C ATOM 763 CG PHE A 47 113.147 11.438 -1.356 1.00 0.00 C ATOM 764 CD1 PHE A 47 114.094 12.314 -0.814 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.562 10.251 -1.973 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.458 12.004 -0.890 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.925 9.942 -2.049 1.00 0.00 C ATOM 768 CZ PHE A 47 115.873 10.818 -1.507 1.00 0.00 C ATOM 0 H PHE A 47 111.422 14.221 -0.337 1.00 0.00 H new ATOM 0 HA PHE A 47 111.988 13.003 -3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.386 11.933 -0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 47 111.082 10.937 -1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.774 13.229 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.831 9.574 -2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 47 116.189 12.680 -0.473 1.00 0.00 H new ATOM 0 HE2 PHE A 47 115.245 9.028 -2.526 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.925 10.579 -1.565 1.00 0.00 H new ATOM 778 N THR A 48 109.472 12.222 -3.344 1.00 0.00 N ATOM 779 CA THR A 48 108.041 12.229 -3.717 1.00 0.00 C ATOM 780 C THR A 48 107.659 10.852 -4.253 1.00 0.00 C ATOM 781 O THR A 48 107.966 10.498 -5.374 1.00 0.00 O ATOM 782 CB THR A 48 107.804 13.278 -4.802 1.00 0.00 C ATOM 783 OG1 THR A 48 108.148 14.562 -4.300 1.00 0.00 O ATOM 784 CG2 THR A 48 106.332 13.265 -5.217 1.00 0.00 C ATOM 0 H THR A 48 110.045 11.525 -3.820 1.00 0.00 H new ATOM 0 HA THR A 48 107.434 12.467 -2.843 1.00 0.00 H new ATOM 0 HB THR A 48 108.423 13.050 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 48 108.176 14.534 -3.321 1.00 0.00 H new ATOM 0 HG21 THR A 48 106.166 14.014 -5.991 1.00 0.00 H new ATOM 0 HG22 THR A 48 106.072 12.280 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.708 13.492 -4.352 1.00 0.00 H new ATOM 792 N VAL A 49 106.985 10.078 -3.458 1.00 0.00 N ATOM 793 CA VAL A 49 106.566 8.721 -3.906 1.00 0.00 C ATOM 794 C VAL A 49 105.111 8.772 -4.376 1.00 0.00 C ATOM 795 O VAL A 49 104.225 9.146 -3.635 1.00 0.00 O ATOM 796 CB VAL A 49 106.691 7.737 -2.742 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.327 6.330 -3.222 1.00 0.00 C ATOM 798 CG2 VAL A 49 108.131 7.741 -2.218 1.00 0.00 C ATOM 0 H VAL A 49 106.703 10.326 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 49 107.205 8.394 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 49 106.014 8.035 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.416 5.628 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.302 6.326 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 49 107.004 6.032 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.218 7.039 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.810 7.444 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.391 8.742 -1.875 1.00 0.00 H new ATOM 808 N LYS A 50 104.857 8.403 -5.604 1.00 0.00 N ATOM 809 CA LYS A 50 103.457 8.434 -6.118 1.00 0.00 C ATOM 810 C LYS A 50 102.971 7.004 -6.371 1.00 0.00 C ATOM 811 O LYS A 50 103.287 6.403 -7.377 1.00 0.00 O ATOM 812 CB LYS A 50 103.416 9.226 -7.428 1.00 0.00 C ATOM 813 CG LYS A 50 102.064 9.931 -7.561 1.00 0.00 C ATOM 814 CD LYS A 50 102.076 10.828 -8.800 1.00 0.00 C ATOM 815 CE LYS A 50 100.883 11.785 -8.752 1.00 0.00 C ATOM 816 NZ LYS A 50 101.027 12.815 -9.818 1.00 0.00 N ATOM 0 H LYS A 50 105.558 8.082 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 50 102.810 8.910 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 50 104.223 9.959 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 50 103.573 8.557 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.264 9.195 -7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.863 10.526 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 50 103.007 11.393 -8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.031 10.219 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.954 11.232 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 50 100.827 12.264 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 100.216 13.465 -9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 101.906 13.350 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 101.060 12.350 -10.748 1.00 0.00 H new ATOM 830 N GLU A 51 102.202 6.454 -5.470 1.00 0.00 N ATOM 831 CA GLU A 51 101.702 5.066 -5.675 1.00 0.00 C ATOM 832 C GLU A 51 100.548 5.087 -6.678 1.00 0.00 C ATOM 833 O GLU A 51 99.894 6.094 -6.862 1.00 0.00 O ATOM 834 CB GLU A 51 101.208 4.498 -4.342 1.00 0.00 C ATOM 835 CG GLU A 51 102.359 4.488 -3.335 1.00 0.00 C ATOM 836 CD GLU A 51 101.833 4.066 -1.962 1.00 0.00 C ATOM 837 OE1 GLU A 51 100.660 3.743 -1.873 1.00 0.00 O ATOM 838 OE2 GLU A 51 102.612 4.074 -1.024 1.00 0.00 O ATOM 0 H GLU A 51 101.900 6.904 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 51 102.509 4.441 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.383 5.100 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.826 3.487 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 51 103.138 3.801 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 51 102.812 5.478 -3.274 1.00 0.00 H new ATOM 845 N SER A 52 100.282 3.981 -7.318 1.00 0.00 N ATOM 846 CA SER A 52 99.169 3.939 -8.293 1.00 0.00 C ATOM 847 C SER A 52 98.748 2.493 -8.501 1.00 0.00 C ATOM 848 O SER A 52 99.423 1.712 -9.141 1.00 0.00 O ATOM 849 CB SER A 52 99.628 4.538 -9.623 1.00 0.00 C ATOM 850 OG SER A 52 100.471 5.654 -9.369 1.00 0.00 O ATOM 0 H SER A 52 100.792 3.105 -7.203 1.00 0.00 H new ATOM 0 HA SER A 52 98.326 4.517 -7.915 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.163 3.789 -10.207 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.765 4.846 -10.213 1.00 0.00 H new ATOM 0 HG SER A 52 100.147 6.136 -8.580 1.00 0.00 H new ATOM 856 N SER A 53 97.623 2.150 -7.964 1.00 0.00 N ATOM 857 CA SER A 53 97.100 0.771 -8.109 1.00 0.00 C ATOM 858 C SER A 53 95.640 0.852 -8.552 1.00 0.00 C ATOM 859 O SER A 53 94.910 1.733 -8.146 1.00 0.00 O ATOM 860 CB SER A 53 97.190 0.043 -6.766 1.00 0.00 C ATOM 861 OG SER A 53 97.546 -1.314 -6.991 1.00 0.00 O ATOM 0 H SER A 53 97.030 2.777 -7.420 1.00 0.00 H new ATOM 0 HA SER A 53 97.686 0.224 -8.848 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.931 0.524 -6.127 1.00 0.00 H new ATOM 0 HB3 SER A 53 96.235 0.099 -6.244 1.00 0.00 H new ATOM 0 HG SER A 53 97.451 -1.820 -6.157 1.00 0.00 H new ATOM 867 N ALA A 54 95.204 -0.057 -9.374 1.00 0.00 N ATOM 868 CA ALA A 54 93.787 -0.019 -9.828 1.00 0.00 C ATOM 869 C ALA A 54 92.866 -0.109 -8.609 1.00 0.00 C ATOM 870 O ALA A 54 91.666 -0.256 -8.737 1.00 0.00 O ATOM 871 CB ALA A 54 93.517 -1.200 -10.761 1.00 0.00 C ATOM 0 H ALA A 54 95.764 -0.822 -9.751 1.00 0.00 H new ATOM 0 HA ALA A 54 93.598 0.912 -10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.479 -1.172 -11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.177 -1.138 -11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.702 -2.133 -10.229 1.00 0.00 H new ATOM 877 N PHE A 55 93.420 -0.041 -7.425 1.00 0.00 N ATOM 878 CA PHE A 55 92.579 -0.147 -6.202 1.00 0.00 C ATOM 879 C PHE A 55 92.588 1.167 -5.407 1.00 0.00 C ATOM 880 O PHE A 55 91.733 1.383 -4.573 1.00 0.00 O ATOM 881 CB PHE A 55 93.117 -1.271 -5.316 1.00 0.00 C ATOM 882 CG PHE A 55 92.250 -1.405 -4.087 1.00 0.00 C ATOM 883 CD1 PHE A 55 92.768 -1.078 -2.827 1.00 0.00 C ATOM 884 CD2 PHE A 55 90.930 -1.853 -4.207 1.00 0.00 C ATOM 885 CE1 PHE A 55 91.965 -1.201 -1.688 1.00 0.00 C ATOM 886 CE2 PHE A 55 90.126 -1.976 -3.067 1.00 0.00 C ATOM 887 CZ PHE A 55 90.644 -1.651 -1.807 1.00 0.00 C ATOM 0 H PHE A 55 94.418 0.083 -7.256 1.00 0.00 H new ATOM 0 HA PHE A 55 91.555 -0.360 -6.508 1.00 0.00 H new ATOM 0 HB2 PHE A 55 93.129 -2.210 -5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.146 -1.059 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 55 93.787 -0.731 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 55 90.531 -2.104 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 55 92.364 -0.949 -0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 55 89.107 -2.321 -3.159 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.025 -1.747 -0.927 1.00 0.00 H new ATOM 897 N ARG A 56 93.534 2.048 -5.642 1.00 0.00 N ATOM 898 CA ARG A 56 93.558 3.325 -4.873 1.00 0.00 C ATOM 899 C ARG A 56 94.946 3.950 -4.981 1.00 0.00 C ATOM 900 O ARG A 56 95.805 3.734 -4.150 1.00 0.00 O ATOM 901 CB ARG A 56 93.237 3.056 -3.395 1.00 0.00 C ATOM 902 CG ARG A 56 91.799 3.489 -3.084 1.00 0.00 C ATOM 903 CD ARG A 56 91.220 2.602 -1.980 1.00 0.00 C ATOM 904 NE ARG A 56 91.960 2.841 -0.710 1.00 0.00 N ATOM 905 CZ ARG A 56 91.657 3.868 0.037 1.00 0.00 C ATOM 906 NH1 ARG A 56 92.305 4.078 1.151 1.00 0.00 N ATOM 907 NH2 ARG A 56 90.707 4.684 -0.329 1.00 0.00 N ATOM 0 H ARG A 56 94.281 1.936 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 56 92.811 4.004 -5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.362 1.996 -3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 56 93.935 3.599 -2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 56 91.783 4.533 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.185 3.416 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 56 90.161 2.820 -1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 56 91.295 1.553 -2.265 1.00 0.00 H new ATOM 0 HE ARG A 56 92.703 2.203 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 56 93.047 3.440 1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 56 92.069 4.880 1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 56 90.201 4.520 -1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 56 90.471 5.486 0.255 1.00 0.00 H new ATOM 921 N ASN A 57 95.172 4.722 -6.002 1.00 0.00 N ATOM 922 CA ASN A 57 96.504 5.362 -6.171 1.00 0.00 C ATOM 923 C ASN A 57 96.770 6.311 -5.002 1.00 0.00 C ATOM 924 O ASN A 57 95.873 6.953 -4.492 1.00 0.00 O ATOM 925 CB ASN A 57 96.528 6.150 -7.483 1.00 0.00 C ATOM 926 CG ASN A 57 95.464 7.249 -7.437 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.632 7.269 -6.552 1.00 0.00 O ATOM 928 ND2 ASN A 57 95.454 8.169 -8.362 1.00 0.00 N ATOM 0 H ASN A 57 94.491 4.939 -6.730 1.00 0.00 H new ATOM 0 HA ASN A 57 97.275 4.592 -6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.513 6.589 -7.638 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.341 5.483 -8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 57 94.748 8.905 -8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.152 8.153 -9.105 1.00 0.00 H new ATOM 935 N ILE A 58 97.999 6.395 -4.567 1.00 0.00 N ATOM 936 CA ILE A 58 98.330 7.288 -3.424 1.00 0.00 C ATOM 937 C ILE A 58 99.611 8.058 -3.716 1.00 0.00 C ATOM 938 O ILE A 58 100.283 7.834 -4.703 1.00 0.00 O ATOM 939 CB ILE A 58 98.543 6.466 -2.163 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.633 5.244 -2.180 1.00 0.00 C ATOM 941 CG2 ILE A 58 98.227 7.319 -0.928 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.604 4.645 -0.780 1.00 0.00 C ATOM 0 H ILE A 58 98.789 5.881 -4.957 1.00 0.00 H new ATOM 0 HA ILE A 58 97.501 7.982 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 58 99.583 6.141 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.627 5.525 -2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.997 4.510 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.381 6.726 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.885 8.188 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 58 97.190 7.651 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.957 3.768 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.613 4.354 -0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.222 5.384 -0.076 1.00 0.00 H new ATOM 954 N GLU A 59 99.950 8.961 -2.846 1.00 0.00 N ATOM 955 CA GLU A 59 101.190 9.761 -3.034 1.00 0.00 C ATOM 956 C GLU A 59 101.661 10.290 -1.681 1.00 0.00 C ATOM 957 O GLU A 59 100.887 10.430 -0.755 1.00 0.00 O ATOM 958 CB GLU A 59 100.902 10.932 -3.978 1.00 0.00 C ATOM 959 CG GLU A 59 100.261 12.081 -3.197 1.00 0.00 C ATOM 960 CD GLU A 59 99.140 11.534 -2.310 1.00 0.00 C ATOM 961 OE1 GLU A 59 99.086 11.919 -1.154 1.00 0.00 O ATOM 962 OE2 GLU A 59 98.357 10.739 -2.803 1.00 0.00 O ATOM 0 H GLU A 59 99.418 9.183 -2.005 1.00 0.00 H new ATOM 0 HA GLU A 59 101.970 9.134 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.827 11.270 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 59 100.238 10.610 -4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 59 101.011 12.582 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 59 99.863 12.826 -3.886 1.00 0.00 H new ATOM 969 N CYS A 60 102.924 10.586 -1.556 1.00 0.00 N ATOM 970 CA CYS A 60 103.434 11.104 -0.256 1.00 0.00 C ATOM 971 C CYS A 60 104.798 11.768 -0.461 1.00 0.00 C ATOM 972 O CYS A 60 105.791 11.110 -0.702 1.00 0.00 O ATOM 973 CB CYS A 60 103.578 9.935 0.726 1.00 0.00 C ATOM 974 SG CYS A 60 102.451 10.164 2.124 1.00 0.00 S ATOM 0 H CYS A 60 103.622 10.492 -2.293 1.00 0.00 H new ATOM 0 HA CYS A 60 102.735 11.840 0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.358 8.995 0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.606 9.873 1.083 1.00 0.00 H new ATOM 980 N VAL A 61 104.855 13.069 -0.359 1.00 0.00 N ATOM 981 CA VAL A 61 106.141 13.779 -0.534 1.00 0.00 C ATOM 982 C VAL A 61 106.667 14.219 0.820 1.00 0.00 C ATOM 983 O VAL A 61 105.916 14.435 1.749 1.00 0.00 O ATOM 984 CB VAL A 61 105.915 14.998 -1.412 1.00 0.00 C ATOM 985 CG1 VAL A 61 104.556 15.619 -1.086 1.00 0.00 C ATOM 986 CG2 VAL A 61 107.020 16.033 -1.176 1.00 0.00 C ATOM 0 H VAL A 61 104.055 13.670 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 61 106.868 13.116 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 61 105.936 14.689 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 61 104.395 16.493 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 61 103.768 14.888 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 61 104.535 15.918 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 61 106.847 16.902 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 61 107.013 16.341 -0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 61 107.988 15.594 -1.418 1.00 0.00 H new ATOM 996 N PHE A 62 107.951 14.363 0.938 1.00 0.00 N ATOM 997 CA PHE A 62 108.514 14.802 2.251 1.00 0.00 C ATOM 998 C PHE A 62 110.043 14.825 2.207 1.00 0.00 C ATOM 999 O PHE A 62 110.656 14.530 1.201 1.00 0.00 O ATOM 1000 CB PHE A 62 108.051 13.836 3.349 1.00 0.00 C ATOM 1001 CG PHE A 62 106.879 14.433 4.096 1.00 0.00 C ATOM 1002 CD1 PHE A 62 105.657 13.751 4.143 1.00 0.00 C ATOM 1003 CD2 PHE A 62 107.015 15.669 4.741 1.00 0.00 C ATOM 1004 CE1 PHE A 62 104.572 14.305 4.832 1.00 0.00 C ATOM 1005 CE2 PHE A 62 105.930 16.222 5.430 1.00 0.00 C ATOM 1006 CZ PHE A 62 104.708 15.541 5.476 1.00 0.00 C ATOM 0 H PHE A 62 108.633 14.200 0.197 1.00 0.00 H new ATOM 0 HA PHE A 62 108.158 15.810 2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 62 107.765 12.881 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 62 108.870 13.636 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 62 105.552 12.797 3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 62 107.958 16.195 4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 62 103.629 13.779 4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 62 106.036 17.175 5.927 1.00 0.00 H new ATOM 0 HZ PHE A 62 103.871 15.968 6.008 1.00 0.00 H new ATOM 1016 N GLU A 63 110.656 15.179 3.306 1.00 0.00 N ATOM 1017 CA GLU A 63 112.144 15.232 3.367 1.00 0.00 C ATOM 1018 C GLU A 63 112.644 14.225 4.406 1.00 0.00 C ATOM 1019 O GLU A 63 111.877 13.687 5.180 1.00 0.00 O ATOM 1020 CB GLU A 63 112.580 16.642 3.775 1.00 0.00 C ATOM 1021 CG GLU A 63 114.090 16.664 4.018 1.00 0.00 C ATOM 1022 CD GLU A 63 114.590 18.110 3.990 1.00 0.00 C ATOM 1023 OE1 GLU A 63 114.010 18.901 3.265 1.00 0.00 O ATOM 1024 OE2 GLU A 63 115.542 18.400 4.694 1.00 0.00 O ATOM 0 H GLU A 63 110.183 15.436 4.172 1.00 0.00 H new ATOM 0 HA GLU A 63 112.562 14.986 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 63 112.317 17.355 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 63 112.052 16.950 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 63 114.321 16.207 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 63 114.601 16.077 3.255 1.00 0.00 H new ATOM 1031 N LEU A 64 113.923 13.965 4.432 1.00 0.00 N ATOM 1032 CA LEU A 64 114.466 12.993 5.423 1.00 0.00 C ATOM 1033 C LEU A 64 114.650 13.686 6.776 1.00 0.00 C ATOM 1034 O LEU A 64 115.097 14.814 6.850 1.00 0.00 O ATOM 1035 CB LEU A 64 115.821 12.469 4.939 1.00 0.00 C ATOM 1036 CG LEU A 64 115.714 12.034 3.477 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.117 11.790 2.914 1.00 0.00 C ATOM 1038 CD2 LEU A 64 114.899 10.742 3.387 1.00 0.00 C ATOM 0 H LEU A 64 114.615 14.383 3.810 1.00 0.00 H new ATOM 0 HA LEU A 64 113.768 12.162 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 64 116.580 13.245 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.138 11.628 5.556 1.00 0.00 H new ATOM 0 HG LEU A 64 115.220 12.817 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.042 11.480 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 64 117.700 12.709 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.609 11.007 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 64 114.823 10.432 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.393 9.960 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 64 113.900 10.913 3.789 1.00 0.00 H new ATOM 1050 N GLY A 65 114.318 13.019 7.849 1.00 0.00 N ATOM 1051 CA GLY A 65 114.486 13.641 9.195 1.00 0.00 C ATOM 1052 C GLY A 65 113.195 14.351 9.610 1.00 0.00 C ATOM 1053 O GLY A 65 113.208 15.248 10.429 1.00 0.00 O ATOM 0 H GLY A 65 113.938 12.072 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.742 12.876 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.312 14.352 9.175 1.00 0.00 H new ATOM 1057 N VAL A 66 112.081 13.958 9.057 1.00 0.00 N ATOM 1058 CA VAL A 66 110.796 14.612 9.428 1.00 0.00 C ATOM 1059 C VAL A 66 109.678 13.568 9.440 1.00 0.00 C ATOM 1060 O VAL A 66 109.197 13.152 8.407 1.00 0.00 O ATOM 1061 CB VAL A 66 110.465 15.705 8.409 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.175 16.414 8.822 1.00 0.00 C ATOM 1063 CG2 VAL A 66 111.611 16.718 8.361 1.00 0.00 C ATOM 0 H VAL A 66 112.005 13.213 8.365 1.00 0.00 H new ATOM 0 HA VAL A 66 110.888 15.057 10.419 1.00 0.00 H new ATOM 0 HB VAL A 66 110.333 15.257 7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 66 108.939 17.192 8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.359 15.692 8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.306 16.863 9.806 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.377 17.497 7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 66 111.742 17.166 9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.531 16.213 8.067 1.00 0.00 H new ATOM 1073 N THR A 67 109.261 13.140 10.600 1.00 0.00 N ATOM 1074 CA THR A 67 108.176 12.123 10.670 1.00 0.00 C ATOM 1075 C THR A 67 106.962 12.611 9.897 1.00 0.00 C ATOM 1076 O THR A 67 106.616 13.776 9.907 1.00 0.00 O ATOM 1077 CB THR A 67 107.776 11.896 12.127 1.00 0.00 C ATOM 1078 OG1 THR A 67 108.909 12.082 12.964 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.232 10.474 12.300 1.00 0.00 C ATOM 0 H THR A 67 109.625 13.451 11.501 1.00 0.00 H new ATOM 0 HA THR A 67 108.538 11.191 10.236 1.00 0.00 H new ATOM 0 HB THR A 67 107.001 12.610 12.404 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.652 11.938 13.899 1.00 0.00 H new ATOM 0 HG21 THR A 67 106.948 10.317 13.341 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.359 10.338 11.661 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.001 9.754 12.021 1.00 0.00 H new ATOM 1087 N PHE A 68 106.303 11.707 9.249 1.00 0.00 N ATOM 1088 CA PHE A 68 105.083 12.060 8.483 1.00 0.00 C ATOM 1089 C PHE A 68 104.186 10.833 8.448 1.00 0.00 C ATOM 1090 O PHE A 68 104.447 9.857 9.121 1.00 0.00 O ATOM 1091 CB PHE A 68 105.439 12.491 7.055 1.00 0.00 C ATOM 1092 CG PHE A 68 106.725 11.837 6.615 1.00 0.00 C ATOM 1093 CD1 PHE A 68 106.786 10.449 6.440 1.00 0.00 C ATOM 1094 CD2 PHE A 68 107.855 12.624 6.368 1.00 0.00 C ATOM 1095 CE1 PHE A 68 107.982 9.851 6.017 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.047 12.026 5.950 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.110 10.640 5.774 1.00 0.00 C ATOM 0 H PHE A 68 106.560 10.720 9.215 1.00 0.00 H new ATOM 0 HA PHE A 68 104.574 12.896 8.962 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.633 12.218 6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.541 13.575 7.010 1.00 0.00 H new ATOM 0 HD1 PHE A 68 105.914 9.841 6.630 1.00 0.00 H new ATOM 0 HD2 PHE A 68 107.806 13.695 6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.031 8.781 5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 68 109.920 12.634 5.763 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.031 10.179 5.450 1.00 0.00 H new ATOM 1107 N ASN A 69 103.131 10.860 7.687 1.00 0.00 N ATOM 1108 CA ASN A 69 102.238 9.676 7.647 1.00 0.00 C ATOM 1109 C ASN A 69 101.817 9.378 6.210 1.00 0.00 C ATOM 1110 O ASN A 69 101.728 10.256 5.376 1.00 0.00 O ATOM 1111 CB ASN A 69 100.995 9.945 8.498 1.00 0.00 C ATOM 1112 CG ASN A 69 100.103 10.966 7.791 1.00 0.00 C ATOM 1113 OD1 ASN A 69 99.137 10.604 7.147 1.00 0.00 O ATOM 1114 ND2 ASN A 69 100.385 12.237 7.883 1.00 0.00 N ATOM 0 H ASN A 69 102.851 11.643 7.097 1.00 0.00 H new ATOM 0 HA ASN A 69 102.776 8.815 8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.446 9.018 8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.287 10.319 9.479 1.00 0.00 H new ATOM 0 HD21 ASN A 69 99.795 12.925 7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 69 101.195 12.542 8.423 1.00 0.00 H new ATOM 1121 N CYS A 70 101.547 8.135 5.927 1.00 0.00 N ATOM 1122 CA CYS A 70 101.118 7.746 4.560 1.00 0.00 C ATOM 1123 C CYS A 70 100.345 6.434 4.667 1.00 0.00 C ATOM 1124 O CYS A 70 100.722 5.544 5.403 1.00 0.00 O ATOM 1125 CB CYS A 70 102.345 7.557 3.665 1.00 0.00 C ATOM 1126 SG CYS A 70 103.297 9.097 3.617 1.00 0.00 S ATOM 0 H CYS A 70 101.607 7.365 6.594 1.00 0.00 H new ATOM 0 HA CYS A 70 100.489 8.522 4.123 1.00 0.00 H new ATOM 0 HB2 CYS A 70 102.965 6.745 4.045 1.00 0.00 H new ATOM 0 HB3 CYS A 70 102.035 7.277 2.658 1.00 0.00 H new ATOM 1132 N ASN A 71 99.255 6.309 3.966 1.00 0.00 N ATOM 1133 CA ASN A 71 98.466 5.054 4.069 1.00 0.00 C ATOM 1134 C ASN A 71 98.897 4.064 2.990 1.00 0.00 C ATOM 1135 O ASN A 71 99.218 4.434 1.878 1.00 0.00 O ATOM 1136 CB ASN A 71 96.977 5.370 3.911 1.00 0.00 C ATOM 1137 CG ASN A 71 96.800 6.505 2.900 1.00 0.00 C ATOM 1138 OD1 ASN A 71 96.356 6.283 1.792 1.00 0.00 O ATOM 1139 ND2 ASN A 71 97.130 7.721 3.240 1.00 0.00 N ATOM 0 H ASN A 71 98.879 7.014 3.332 1.00 0.00 H new ATOM 0 HA ASN A 71 98.644 4.606 5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.440 4.483 3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.551 5.656 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 71 97.015 8.486 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 71 97.503 7.907 4.171 1.00 0.00 H new ATOM 1146 N LEU A 72 98.902 2.799 3.316 1.00 0.00 N ATOM 1147 CA LEU A 72 99.306 1.771 2.316 1.00 0.00 C ATOM 1148 C LEU A 72 98.062 1.245 1.597 1.00 0.00 C ATOM 1149 O LEU A 72 96.992 1.156 2.170 1.00 0.00 O ATOM 1150 CB LEU A 72 100.011 0.616 3.029 1.00 0.00 C ATOM 1151 CG LEU A 72 101.314 1.120 3.656 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.932 0.009 4.508 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.295 1.519 2.550 1.00 0.00 C ATOM 0 H LEU A 72 98.643 2.434 4.233 1.00 0.00 H new ATOM 0 HA LEU A 72 99.985 2.217 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.362 0.200 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.222 -0.187 2.322 1.00 0.00 H new ATOM 0 HG LEU A 72 101.103 1.986 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.860 0.367 4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.235 -0.275 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 72 102.142 -0.857 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.222 1.878 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.506 0.654 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 72 101.856 2.310 1.942 1.00 0.00 H new ATOM 1165 N ALA A 73 98.198 0.897 0.345 1.00 0.00 N ATOM 1166 CA ALA A 73 97.031 0.379 -0.426 1.00 0.00 C ATOM 1167 C ALA A 73 96.211 -0.573 0.447 1.00 0.00 C ATOM 1168 O ALA A 73 95.003 -0.641 0.338 1.00 0.00 O ATOM 1169 CB ALA A 73 97.531 -0.370 -1.663 1.00 0.00 C ATOM 0 H ALA A 73 99.072 0.950 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 73 96.403 1.216 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.679 -0.749 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 73 98.109 0.309 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 73 98.161 -1.204 -1.353 1.00 0.00 H new ATOM 1175 N ASP A 74 96.853 -1.310 1.310 1.00 0.00 N ATOM 1176 CA ASP A 74 96.101 -2.255 2.183 1.00 0.00 C ATOM 1177 C ASP A 74 95.136 -1.470 3.075 1.00 0.00 C ATOM 1178 O ASP A 74 94.577 -1.999 4.016 1.00 0.00 O ATOM 1179 CB ASP A 74 97.085 -3.038 3.055 1.00 0.00 C ATOM 1180 CG ASP A 74 96.397 -4.286 3.608 1.00 0.00 C ATOM 1181 OD1 ASP A 74 95.790 -5.000 2.826 1.00 0.00 O ATOM 1182 OD2 ASP A 74 96.487 -4.509 4.804 1.00 0.00 O ATOM 0 H ASP A 74 97.863 -1.299 1.449 1.00 0.00 H new ATOM 0 HA ASP A 74 95.535 -2.950 1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.960 -3.322 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 74 97.439 -2.412 3.874 1.00 0.00 H new ATOM 1187 N GLY A 75 94.933 -0.213 2.787 1.00 0.00 N ATOM 1188 CA GLY A 75 94.003 0.604 3.618 1.00 0.00 C ATOM 1189 C GLY A 75 94.609 0.817 5.005 1.00 0.00 C ATOM 1190 O GLY A 75 93.905 1.001 5.978 1.00 0.00 O ATOM 0 H GLY A 75 95.371 0.284 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.820 1.566 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.039 0.102 3.704 1.00 0.00 H new ATOM 1194 N THR A 76 95.909 0.794 5.105 1.00 0.00 N ATOM 1195 CA THR A 76 96.560 0.993 6.423 1.00 0.00 C ATOM 1196 C THR A 76 97.056 2.432 6.538 1.00 0.00 C ATOM 1197 O THR A 76 97.197 3.133 5.559 1.00 0.00 O ATOM 1198 CB THR A 76 97.748 0.045 6.563 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.627 -1.009 5.620 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.789 -0.531 7.979 1.00 0.00 C ATOM 0 H THR A 76 96.549 0.645 4.325 1.00 0.00 H new ATOM 0 HA THR A 76 95.835 0.788 7.211 1.00 0.00 H new ATOM 0 HB THR A 76 98.671 0.594 6.376 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.391 -1.617 5.709 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.639 -1.207 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.890 0.281 8.699 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.867 -1.078 8.176 1.00 0.00 H new ATOM 1208 N GLU A 77 97.324 2.867 7.734 1.00 0.00 N ATOM 1209 CA GLU A 77 97.824 4.251 7.945 1.00 0.00 C ATOM 1210 C GLU A 77 99.037 4.198 8.875 1.00 0.00 C ATOM 1211 O GLU A 77 98.939 3.750 10.000 1.00 0.00 O ATOM 1212 CB GLU A 77 96.723 5.101 8.582 1.00 0.00 C ATOM 1213 CG GLU A 77 97.130 6.573 8.539 1.00 0.00 C ATOM 1214 CD GLU A 77 95.966 7.441 9.019 1.00 0.00 C ATOM 1215 OE1 GLU A 77 96.074 7.994 10.102 1.00 0.00 O ATOM 1216 OE2 GLU A 77 94.987 7.537 8.298 1.00 0.00 O ATOM 0 H GLU A 77 97.217 2.316 8.585 1.00 0.00 H new ATOM 0 HA GLU A 77 98.108 4.694 6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 77 95.783 4.956 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.557 4.788 9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.004 6.738 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.412 6.853 7.524 1.00 0.00 H new ATOM 1223 N LEU A 78 100.186 4.629 8.420 1.00 0.00 N ATOM 1224 CA LEU A 78 101.392 4.567 9.302 1.00 0.00 C ATOM 1225 C LEU A 78 102.166 5.887 9.258 1.00 0.00 C ATOM 1226 O LEU A 78 101.997 6.692 8.365 1.00 0.00 O ATOM 1227 CB LEU A 78 102.313 3.437 8.837 1.00 0.00 C ATOM 1228 CG LEU A 78 101.478 2.247 8.349 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.241 2.367 6.841 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.231 0.949 8.639 1.00 0.00 C ATOM 0 H LEU A 78 100.341 5.016 7.489 1.00 0.00 H new ATOM 0 HA LEU A 78 101.059 4.384 10.324 1.00 0.00 H new ATOM 0 HB2 LEU A 78 102.960 3.791 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 78 102.962 3.125 9.656 1.00 0.00 H new ATOM 0 HG LEU A 78 100.519 2.241 8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.647 1.520 6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.708 3.294 6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.199 2.373 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.640 0.101 8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.189 0.960 8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.402 0.859 9.712 1.00 0.00 H new ATOM 1242 N ARG A 79 103.022 6.105 10.225 1.00 0.00 N ATOM 1243 CA ARG A 79 103.822 7.364 10.254 1.00 0.00 C ATOM 1244 C ARG A 79 105.231 7.072 10.776 1.00 0.00 C ATOM 1245 O ARG A 79 105.418 6.260 11.660 1.00 0.00 O ATOM 1246 CB ARG A 79 103.138 8.381 11.170 1.00 0.00 C ATOM 1247 CG ARG A 79 103.048 7.809 12.587 1.00 0.00 C ATOM 1248 CD ARG A 79 102.171 8.719 13.451 1.00 0.00 C ATOM 1249 NE ARG A 79 102.970 9.889 13.910 1.00 0.00 N ATOM 1250 CZ ARG A 79 102.626 10.530 14.994 1.00 0.00 C ATOM 1251 NH1 ARG A 79 103.327 11.555 15.396 1.00 0.00 N ATOM 1252 NH2 ARG A 79 101.582 10.146 15.675 1.00 0.00 N ATOM 0 H ARG A 79 103.200 5.462 10.997 1.00 0.00 H new ATOM 0 HA ARG A 79 103.891 7.770 9.245 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.700 9.315 11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.141 8.612 10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 79 102.629 6.803 12.558 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.044 7.727 13.021 1.00 0.00 H new ATOM 0 HD2 ARG A 79 101.306 9.057 12.880 1.00 0.00 H new ATOM 0 HD3 ARG A 79 101.790 8.166 14.310 1.00 0.00 H new ATOM 0 HE ARG A 79 103.786 10.190 13.377 1.00 0.00 H new ATOM 0 HH11 ARG A 79 104.143 11.855 14.863 1.00 0.00 H new ATOM 0 HH12 ARG A 79 103.058 12.056 16.243 1.00 0.00 H new ATOM 0 HH21 ARG A 79 101.034 9.345 15.361 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.313 10.647 16.522 1.00 0.00 H new ATOM 1266 N GLY A 80 106.226 7.728 10.234 1.00 0.00 N ATOM 1267 CA GLY A 80 107.610 7.492 10.690 1.00 0.00 C ATOM 1268 C GLY A 80 108.540 8.267 9.770 1.00 0.00 C ATOM 1269 O GLY A 80 108.464 9.473 9.679 1.00 0.00 O ATOM 0 H GLY A 80 106.128 8.420 9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.733 7.820 11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 80 107.845 6.428 10.663 1.00 0.00 H new ATOM 1273 N THR A 81 109.400 7.594 9.064 1.00 0.00 N ATOM 1274 CA THR A 81 110.315 8.328 8.139 1.00 0.00 C ATOM 1275 C THR A 81 111.357 7.382 7.548 1.00 0.00 C ATOM 1276 O THR A 81 111.663 6.343 8.100 1.00 0.00 O ATOM 1277 CB THR A 81 111.042 9.443 8.906 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.677 9.396 10.279 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.667 10.806 8.324 1.00 0.00 C ATOM 0 H THR A 81 109.512 6.580 9.083 1.00 0.00 H new ATOM 0 HA THR A 81 109.716 8.753 7.333 1.00 0.00 H new ATOM 0 HB THR A 81 112.118 9.297 8.811 1.00 0.00 H new ATOM 0 HG1 THR A 81 109.857 9.914 10.417 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.186 11.591 8.873 1.00 0.00 H new ATOM 0 HG22 THR A 81 110.956 10.845 7.274 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.591 10.954 8.410 1.00 0.00 H new ATOM 1287 N TRP A 82 111.919 7.755 6.431 1.00 0.00 N ATOM 1288 CA TRP A 82 112.967 6.903 5.801 1.00 0.00 C ATOM 1289 C TRP A 82 114.339 7.499 6.102 1.00 0.00 C ATOM 1290 O TRP A 82 114.513 8.702 6.124 1.00 0.00 O ATOM 1291 CB TRP A 82 112.772 6.853 4.283 1.00 0.00 C ATOM 1292 CG TRP A 82 111.326 6.672 3.965 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.412 7.664 3.948 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.617 5.452 3.613 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.181 7.133 3.617 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.255 5.769 3.398 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.021 4.113 3.463 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.326 4.790 3.045 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.089 3.126 3.108 1.00 0.00 C ATOM 1300 CH2 TRP A 82 108.744 3.462 2.900 1.00 0.00 C ATOM 0 H TRP A 82 111.698 8.614 5.927 1.00 0.00 H new ATOM 0 HA TRP A 82 112.892 5.893 6.204 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.141 7.773 3.829 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.352 6.033 3.859 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.611 8.704 4.159 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.323 7.679 3.543 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.055 3.843 3.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.291 5.055 2.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.410 2.101 2.994 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.031 2.697 2.628 1.00 0.00 H new ATOM 1311 N SER A 83 115.317 6.670 6.335 1.00 0.00 N ATOM 1312 CA SER A 83 116.676 7.191 6.634 1.00 0.00 C ATOM 1313 C SER A 83 117.695 6.329 5.901 1.00 0.00 C ATOM 1314 O SER A 83 117.421 5.204 5.557 1.00 0.00 O ATOM 1315 CB SER A 83 116.933 7.120 8.140 1.00 0.00 C ATOM 1316 OG SER A 83 118.303 6.815 8.369 1.00 0.00 O ATOM 0 H SER A 83 115.232 5.654 6.331 1.00 0.00 H new ATOM 0 HA SER A 83 116.759 8.228 6.309 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.677 8.070 8.609 1.00 0.00 H new ATOM 0 HB3 SER A 83 116.298 6.359 8.593 1.00 0.00 H new ATOM 0 HG SER A 83 118.471 6.770 9.333 1.00 0.00 H new ATOM 1322 N LEU A 84 118.862 6.828 5.639 1.00 0.00 N ATOM 1323 CA LEU A 84 119.850 5.991 4.934 1.00 0.00 C ATOM 1324 C LEU A 84 120.774 5.357 5.979 1.00 0.00 C ATOM 1325 O LEU A 84 121.362 6.034 6.800 1.00 0.00 O ATOM 1326 CB LEU A 84 120.643 6.861 3.949 1.00 0.00 C ATOM 1327 CG LEU A 84 122.124 6.501 4.008 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.334 5.089 3.458 1.00 0.00 C ATOM 1329 CD2 LEU A 84 122.927 7.500 3.172 1.00 0.00 C ATOM 0 H LEU A 84 119.170 7.770 5.881 1.00 0.00 H new ATOM 0 HA LEU A 84 119.358 5.202 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.265 6.715 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 84 120.507 7.915 4.191 1.00 0.00 H new ATOM 0 HG LEU A 84 122.463 6.538 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.393 4.835 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 84 121.765 4.377 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 84 121.993 5.047 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.985 7.242 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 84 122.586 7.465 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 84 122.782 8.505 3.568 1.00 0.00 H new ATOM 1341 N GLU A 85 120.899 4.062 5.956 1.00 0.00 N ATOM 1342 CA GLU A 85 121.778 3.370 6.935 1.00 0.00 C ATOM 1343 C GLU A 85 122.802 2.544 6.163 1.00 0.00 C ATOM 1344 O GLU A 85 122.466 1.574 5.514 1.00 0.00 O ATOM 1345 CB GLU A 85 120.936 2.452 7.825 1.00 0.00 C ATOM 1346 CG GLU A 85 120.477 3.222 9.065 1.00 0.00 C ATOM 1347 CD GLU A 85 121.654 3.391 10.026 1.00 0.00 C ATOM 1348 OE1 GLU A 85 122.203 4.480 10.074 1.00 0.00 O ATOM 1349 OE2 GLU A 85 121.988 2.429 10.699 1.00 0.00 O ATOM 0 H GLU A 85 120.425 3.447 5.294 1.00 0.00 H new ATOM 0 HA GLU A 85 122.286 4.100 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.072 2.085 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 85 121.519 1.580 8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 85 120.087 4.198 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 85 119.665 2.687 9.558 1.00 0.00 H new ATOM 1356 N GLY A 86 124.044 2.928 6.207 1.00 0.00 N ATOM 1357 CA GLY A 86 125.074 2.168 5.453 1.00 0.00 C ATOM 1358 C GLY A 86 124.771 2.292 3.960 1.00 0.00 C ATOM 1359 O GLY A 86 124.999 3.322 3.357 1.00 0.00 O ATOM 0 H GLY A 86 124.390 3.732 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.068 2.558 5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.069 1.121 5.755 1.00 0.00 H new ATOM 1363 N ASN A 87 124.256 1.254 3.358 1.00 0.00 N ATOM 1364 CA ASN A 87 123.933 1.322 1.904 1.00 0.00 C ATOM 1365 C ASN A 87 122.466 0.952 1.672 1.00 0.00 C ATOM 1366 O ASN A 87 122.125 0.356 0.670 1.00 0.00 O ATOM 1367 CB ASN A 87 124.831 0.348 1.138 1.00 0.00 C ATOM 1368 CG ASN A 87 124.858 0.734 -0.342 1.00 0.00 C ATOM 1369 OD1 ASN A 87 123.930 1.337 -0.842 1.00 0.00 O ATOM 1370 ND2 ASN A 87 125.893 0.410 -1.069 1.00 0.00 N ATOM 0 H ASN A 87 124.045 0.364 3.809 1.00 0.00 H new ATOM 0 HA ASN A 87 124.103 2.338 1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 87 125.841 0.368 1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.461 -0.671 1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 87 125.922 0.663 -2.057 1.00 0.00 H new ATOM 0 HD22 ASN A 87 126.673 -0.096 -0.649 1.00 0.00 H new ATOM 1377 N LYS A 88 121.590 1.283 2.585 1.00 0.00 N ATOM 1378 CA LYS A 88 120.159 0.924 2.391 1.00 0.00 C ATOM 1379 C LYS A 88 119.258 2.062 2.874 1.00 0.00 C ATOM 1380 O LYS A 88 119.587 2.780 3.797 1.00 0.00 O ATOM 1381 CB LYS A 88 119.854 -0.338 3.194 1.00 0.00 C ATOM 1382 CG LYS A 88 120.655 -0.311 4.498 1.00 0.00 C ATOM 1383 CD LYS A 88 120.363 -1.576 5.305 1.00 0.00 C ATOM 1384 CE LYS A 88 121.292 -2.700 4.843 1.00 0.00 C ATOM 1385 NZ LYS A 88 121.008 -3.933 5.630 1.00 0.00 N ATOM 0 H LYS A 88 121.804 1.782 3.449 1.00 0.00 H new ATOM 0 HA LYS A 88 119.971 0.751 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 88 118.787 -0.397 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.111 -1.224 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 88 121.721 -0.244 4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 88 120.392 0.573 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 88 120.508 -1.384 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 88 119.322 -1.872 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 88 121.147 -2.893 3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 88 122.333 -2.403 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 121.639 -4.698 5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 121.168 -3.744 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 120.019 -4.218 5.483 1.00 0.00 H new ATOM 1399 N LEU A 89 118.113 2.219 2.265 1.00 0.00 N ATOM 1400 CA LEU A 89 117.178 3.295 2.698 1.00 0.00 C ATOM 1401 C LEU A 89 116.159 2.684 3.659 1.00 0.00 C ATOM 1402 O LEU A 89 115.294 1.932 3.264 1.00 0.00 O ATOM 1403 CB LEU A 89 116.459 3.873 1.476 1.00 0.00 C ATOM 1404 CG LEU A 89 117.265 5.049 0.918 1.00 0.00 C ATOM 1405 CD1 LEU A 89 116.937 5.234 -0.565 1.00 0.00 C ATOM 1406 CD2 LEU A 89 116.902 6.324 1.682 1.00 0.00 C ATOM 0 H LEU A 89 117.786 1.648 1.486 1.00 0.00 H new ATOM 0 HA LEU A 89 117.726 4.097 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.342 3.104 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.458 4.203 1.752 1.00 0.00 H new ATOM 0 HG LEU A 89 118.330 4.846 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.511 6.071 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.194 4.326 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 89 115.872 5.437 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 89 117.476 7.162 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 89 115.837 6.526 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.134 6.193 2.739 1.00 0.00 H new ATOM 1418 N ILE A 90 116.267 2.983 4.921 1.00 0.00 N ATOM 1419 CA ILE A 90 115.318 2.395 5.903 1.00 0.00 C ATOM 1420 C ILE A 90 113.979 3.125 5.862 1.00 0.00 C ATOM 1421 O ILE A 90 113.855 4.207 5.328 1.00 0.00 O ATOM 1422 CB ILE A 90 115.896 2.469 7.309 1.00 0.00 C ATOM 1423 CG1 ILE A 90 116.765 3.706 7.445 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.746 1.226 7.578 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.107 3.894 8.912 1.00 0.00 C ATOM 0 H ILE A 90 116.970 3.608 5.315 1.00 0.00 H new ATOM 0 HA ILE A 90 115.159 1.350 5.635 1.00 0.00 H new ATOM 0 HB ILE A 90 115.078 2.520 8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 90 117.675 3.597 6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.240 4.582 7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.160 1.279 8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.126 0.334 7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.559 1.177 6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 90 117.732 4.779 9.029 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.189 4.019 9.486 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.646 3.019 9.275 1.00 0.00 H new ATOM 1437 N GLY A 91 112.981 2.515 6.431 1.00 0.00 N ATOM 1438 CA GLY A 91 111.621 3.118 6.462 1.00 0.00 C ATOM 1439 C GLY A 91 110.939 2.696 7.762 1.00 0.00 C ATOM 1440 O GLY A 91 110.353 1.636 7.853 1.00 0.00 O ATOM 0 H GLY A 91 113.051 1.605 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 91 111.686 4.204 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.039 2.786 5.603 1.00 0.00 H new ATOM 1444 N LYS A 92 111.018 3.509 8.768 1.00 0.00 N ATOM 1445 CA LYS A 92 110.383 3.147 10.063 1.00 0.00 C ATOM 1446 C LYS A 92 108.935 3.622 10.052 1.00 0.00 C ATOM 1447 O LYS A 92 108.664 4.793 10.191 1.00 0.00 O ATOM 1448 CB LYS A 92 111.138 3.821 11.212 1.00 0.00 C ATOM 1449 CG LYS A 92 112.261 2.900 11.693 1.00 0.00 C ATOM 1450 CD LYS A 92 112.991 3.548 12.874 1.00 0.00 C ATOM 1451 CE LYS A 92 112.399 3.038 14.189 1.00 0.00 C ATOM 1452 NZ LYS A 92 110.913 2.987 14.080 1.00 0.00 N ATOM 0 H LYS A 92 111.495 4.411 8.754 1.00 0.00 H new ATOM 0 HA LYS A 92 110.416 2.066 10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.551 4.774 10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.454 4.038 12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 92 111.850 1.936 11.992 1.00 0.00 H new ATOM 0 HG3 LYS A 92 112.962 2.710 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 92 114.055 3.315 12.828 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.900 4.633 12.819 1.00 0.00 H new ATOM 0 HE2 LYS A 92 112.792 2.047 14.416 1.00 0.00 H new ATOM 0 HE3 LYS A 92 112.692 3.693 15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 110.509 2.673 14.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 110.549 3.933 13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 110.643 2.319 13.330 1.00 0.00 H new ATOM 1466 N PHE A 93 108.007 2.721 9.878 1.00 0.00 N ATOM 1467 CA PHE A 93 106.571 3.119 9.845 1.00 0.00 C ATOM 1468 C PHE A 93 105.824 2.487 11.011 1.00 0.00 C ATOM 1469 O PHE A 93 106.025 1.339 11.355 1.00 0.00 O ATOM 1470 CB PHE A 93 105.940 2.657 8.524 1.00 0.00 C ATOM 1471 CG PHE A 93 106.144 3.696 7.437 1.00 0.00 C ATOM 1472 CD1 PHE A 93 106.801 4.905 7.711 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.667 3.444 6.144 1.00 0.00 C ATOM 1474 CE1 PHE A 93 106.980 5.853 6.698 1.00 0.00 C ATOM 1475 CE2 PHE A 93 105.846 4.393 5.131 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.503 5.597 5.408 1.00 0.00 C ATOM 0 H PHE A 93 108.182 1.723 9.757 1.00 0.00 H new ATOM 0 HA PHE A 93 106.503 4.204 9.925 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.383 1.710 8.216 1.00 0.00 H new ATOM 0 HB3 PHE A 93 104.874 2.479 8.668 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.169 5.104 8.706 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.160 2.515 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.486 6.783 6.912 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.477 4.196 4.135 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.642 6.329 4.626 1.00 0.00 H new ATOM 1486 N LYS A 94 104.954 3.243 11.615 1.00 0.00 N ATOM 1487 CA LYS A 94 104.166 2.718 12.760 1.00 0.00 C ATOM 1488 C LYS A 94 102.678 2.825 12.440 1.00 0.00 C ATOM 1489 O LYS A 94 102.161 3.897 12.198 1.00 0.00 O ATOM 1490 CB LYS A 94 104.472 3.534 14.016 1.00 0.00 C ATOM 1491 CG LYS A 94 105.652 2.910 14.763 1.00 0.00 C ATOM 1492 CD LYS A 94 106.357 3.987 15.584 1.00 0.00 C ATOM 1493 CE LYS A 94 107.606 3.394 16.240 1.00 0.00 C ATOM 1494 NZ LYS A 94 107.984 4.218 17.422 1.00 0.00 N ATOM 0 H LYS A 94 104.754 4.211 11.362 1.00 0.00 H new ATOM 0 HA LYS A 94 104.433 1.675 12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.705 4.564 13.744 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.595 3.566 14.663 1.00 0.00 H new ATOM 0 HG2 LYS A 94 105.302 2.110 15.416 1.00 0.00 H new ATOM 0 HG3 LYS A 94 106.349 2.462 14.055 1.00 0.00 H new ATOM 0 HD2 LYS A 94 106.633 4.825 14.944 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.683 4.377 16.347 1.00 0.00 H new ATOM 0 HE2 LYS A 94 107.416 2.365 16.546 1.00 0.00 H new ATOM 0 HE3 LYS A 94 108.428 3.367 15.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 108.833 3.816 17.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 108.182 5.192 17.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 107.201 4.222 18.107 1.00 0.00 H new ATOM 1508 N ARG A 95 101.983 1.723 12.444 1.00 0.00 N ATOM 1509 CA ARG A 95 100.526 1.765 12.146 1.00 0.00 C ATOM 1510 C ARG A 95 99.866 2.774 13.083 1.00 0.00 C ATOM 1511 O ARG A 95 99.842 2.598 14.283 1.00 0.00 O ATOM 1512 CB ARG A 95 99.913 0.376 12.364 1.00 0.00 C ATOM 1513 CG ARG A 95 99.767 -0.341 11.017 1.00 0.00 C ATOM 1514 CD ARG A 95 98.964 -1.630 11.207 1.00 0.00 C ATOM 1515 NE ARG A 95 97.724 -1.335 11.979 1.00 0.00 N ATOM 1516 CZ ARG A 95 96.927 -2.307 12.327 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.841 -2.049 13.005 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.214 -3.537 11.998 1.00 0.00 N ATOM 0 H ARG A 95 102.361 0.796 12.641 1.00 0.00 H new ATOM 0 HA ARG A 95 100.366 2.061 11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.544 -0.210 13.032 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.939 0.469 12.845 1.00 0.00 H new ATOM 0 HG2 ARG A 95 99.266 0.309 10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 95 100.751 -0.570 10.607 1.00 0.00 H new ATOM 0 HD2 ARG A 95 98.708 -2.058 10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.565 -2.371 11.734 1.00 0.00 H new ATOM 0 HE ARG A 95 97.499 -0.374 12.235 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.617 -1.088 13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.217 -2.809 13.277 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.062 -3.739 11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.590 -4.297 12.271 1.00 0.00 H new ATOM 1532 N THR A 96 99.337 3.837 12.549 1.00 0.00 N ATOM 1533 CA THR A 96 98.691 4.857 13.418 1.00 0.00 C ATOM 1534 C THR A 96 97.432 4.274 14.028 1.00 0.00 C ATOM 1535 O THR A 96 96.841 4.815 14.942 1.00 0.00 O ATOM 1536 CB THR A 96 98.339 6.079 12.579 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.297 5.708 11.207 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.394 7.163 12.782 1.00 0.00 C ATOM 0 H THR A 96 99.324 4.044 11.550 1.00 0.00 H new ATOM 0 HA THR A 96 99.374 5.149 14.215 1.00 0.00 H new ATOM 0 HB THR A 96 97.366 6.463 12.885 1.00 0.00 H new ATOM 0 HG1 THR A 96 98.029 4.768 11.130 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.139 8.036 12.181 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.428 7.445 13.834 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.369 6.784 12.476 1.00 0.00 H new ATOM 1546 N ASP A 97 97.039 3.173 13.514 1.00 0.00 N ATOM 1547 CA ASP A 97 95.817 2.487 14.018 1.00 0.00 C ATOM 1548 C ASP A 97 96.141 1.759 15.323 1.00 0.00 C ATOM 1549 O ASP A 97 95.467 1.924 16.321 1.00 0.00 O ATOM 1550 CB ASP A 97 95.332 1.477 12.976 1.00 0.00 C ATOM 1551 CG ASP A 97 95.011 2.206 11.669 1.00 0.00 C ATOM 1552 OD1 ASP A 97 94.712 1.532 10.697 1.00 0.00 O ATOM 1553 OD2 ASP A 97 95.072 3.424 11.663 1.00 0.00 O ATOM 0 H ASP A 97 97.512 2.695 12.747 1.00 0.00 H new ATOM 0 HA ASP A 97 95.036 3.225 14.199 1.00 0.00 H new ATOM 0 HB2 ASP A 97 96.097 0.720 12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 97 94.446 0.958 13.342 1.00 0.00 H new ATOM 1558 N ASN A 98 97.164 0.953 15.321 1.00 0.00 N ATOM 1559 CA ASN A 98 97.534 0.208 16.557 1.00 0.00 C ATOM 1560 C ASN A 98 99.039 0.331 16.812 1.00 0.00 C ATOM 1561 O ASN A 98 99.602 -0.400 17.602 1.00 0.00 O ATOM 1562 CB ASN A 98 97.165 -1.267 16.391 1.00 0.00 C ATOM 1563 CG ASN A 98 97.550 -2.036 17.657 1.00 0.00 C ATOM 1564 OD1 ASN A 98 97.647 -3.247 17.640 1.00 0.00 O ATOM 1565 ND2 ASN A 98 97.773 -1.378 18.761 1.00 0.00 N ATOM 0 H ASN A 98 97.763 0.777 14.514 1.00 0.00 H new ATOM 0 HA ASN A 98 96.993 0.630 17.404 1.00 0.00 H new ATOM 0 HB2 ASN A 98 96.096 -1.366 16.204 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.680 -1.687 15.527 1.00 0.00 H new ATOM 0 HD21 ASN A 98 98.029 -1.880 19.611 1.00 0.00 H new ATOM 0 HD22 ASN A 98 97.691 -0.361 18.774 1.00 0.00 H new ATOM 1572 N GLY A 99 99.698 1.246 16.153 1.00 0.00 N ATOM 1573 CA GLY A 99 101.165 1.400 16.368 1.00 0.00 C ATOM 1574 C GLY A 99 101.828 0.021 16.353 1.00 0.00 C ATOM 1575 O GLY A 99 102.664 -0.286 17.178 1.00 0.00 O ATOM 0 H GLY A 99 99.286 1.890 15.478 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.594 2.030 15.589 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.354 1.896 17.320 1.00 0.00 H new ATOM 1579 N ASN A 100 101.456 -0.813 15.421 1.00 0.00 N ATOM 1580 CA ASN A 100 102.061 -2.175 15.355 1.00 0.00 C ATOM 1581 C ASN A 100 103.467 -2.086 14.770 1.00 0.00 C ATOM 1582 O ASN A 100 104.026 -3.059 14.308 1.00 0.00 O ATOM 1583 CB ASN A 100 101.197 -3.072 14.472 1.00 0.00 C ATOM 1584 CG ASN A 100 100.069 -3.680 15.307 1.00 0.00 C ATOM 1585 OD1 ASN A 100 100.258 -4.004 16.462 1.00 0.00 O ATOM 1586 ND2 ASN A 100 98.893 -3.851 14.766 1.00 0.00 N ATOM 0 H ASN A 100 100.760 -0.611 14.703 1.00 0.00 H new ATOM 0 HA ASN A 100 102.115 -2.595 16.359 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.781 -2.495 13.646 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.806 -3.863 14.034 1.00 0.00 H new ATOM 0 HD21 ASN A 100 98.134 -4.256 15.313 1.00 0.00 H new ATOM 0 HD22 ASN A 100 98.733 -3.579 13.796 1.00 0.00 H new ATOM 1593 N GLU A 101 104.030 -0.918 14.802 1.00 0.00 N ATOM 1594 CA GLU A 101 105.411 -0.699 14.270 1.00 0.00 C ATOM 1595 C GLU A 101 105.616 -1.431 12.937 1.00 0.00 C ATOM 1596 O GLU A 101 104.928 -2.375 12.608 1.00 0.00 O ATOM 1597 CB GLU A 101 106.445 -1.184 15.296 1.00 0.00 C ATOM 1598 CG GLU A 101 106.521 -2.713 15.300 1.00 0.00 C ATOM 1599 CD GLU A 101 107.729 -3.159 16.126 1.00 0.00 C ATOM 1600 OE1 GLU A 101 108.152 -2.397 16.979 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.211 -4.255 15.890 1.00 0.00 O ATOM 0 H GLU A 101 103.587 -0.082 15.182 1.00 0.00 H new ATOM 0 HA GLU A 101 105.543 0.369 14.094 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.424 -0.766 15.060 1.00 0.00 H new ATOM 0 HB3 GLU A 101 106.176 -0.825 16.289 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.606 -3.133 15.718 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.606 -3.087 14.280 1.00 0.00 H new ATOM 1608 N LEU A 102 106.579 -0.994 12.174 1.00 0.00 N ATOM 1609 CA LEU A 102 106.876 -1.640 10.867 1.00 0.00 C ATOM 1610 C LEU A 102 108.300 -1.259 10.466 1.00 0.00 C ATOM 1611 O LEU A 102 108.632 -0.094 10.378 1.00 0.00 O ATOM 1612 CB LEU A 102 105.890 -1.146 9.802 1.00 0.00 C ATOM 1613 CG LEU A 102 106.063 -1.967 8.519 1.00 0.00 C ATOM 1614 CD1 LEU A 102 104.905 -1.674 7.562 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.388 -1.599 7.839 1.00 0.00 C ATOM 0 H LEU A 102 107.181 -0.204 12.406 1.00 0.00 H new ATOM 0 HA LEU A 102 106.780 -2.722 10.952 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.868 -1.237 10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 102 106.062 -0.090 9.595 1.00 0.00 H new ATOM 0 HG LEU A 102 106.069 -3.027 8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 102 105.030 -2.258 6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 102 103.962 -1.942 8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.897 -0.613 7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.505 -2.186 6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.386 -0.538 7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.216 -1.811 8.516 1.00 0.00 H new ATOM 1627 N ASN A 103 109.149 -2.222 10.228 1.00 0.00 N ATOM 1628 CA ASN A 103 110.549 -1.888 9.843 1.00 0.00 C ATOM 1629 C ASN A 103 110.788 -2.331 8.402 1.00 0.00 C ATOM 1630 O ASN A 103 110.761 -3.504 8.094 1.00 0.00 O ATOM 1631 CB ASN A 103 111.527 -2.608 10.779 1.00 0.00 C ATOM 1632 CG ASN A 103 111.994 -1.646 11.873 1.00 0.00 C ATOM 1633 OD1 ASN A 103 111.260 -1.355 12.798 1.00 0.00 O ATOM 1634 ND2 ASN A 103 113.193 -1.135 11.809 1.00 0.00 N ATOM 0 H ASN A 103 108.936 -3.218 10.283 1.00 0.00 H new ATOM 0 HA ASN A 103 110.708 -0.813 9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 103 111.045 -3.477 11.227 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.384 -2.975 10.214 1.00 0.00 H new ATOM 0 HD21 ASN A 103 113.513 -0.493 12.534 1.00 0.00 H new ATOM 0 HD22 ASN A 103 113.810 -1.378 11.034 1.00 0.00 H new ATOM 1641 N THR A 104 111.002 -1.402 7.511 1.00 0.00 N ATOM 1642 CA THR A 104 111.211 -1.780 6.088 1.00 0.00 C ATOM 1643 C THR A 104 112.515 -1.192 5.549 1.00 0.00 C ATOM 1644 O THR A 104 113.209 -0.453 6.218 1.00 0.00 O ATOM 1645 CB THR A 104 110.047 -1.238 5.261 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.348 -1.368 3.877 1.00 0.00 O ATOM 1647 CG2 THR A 104 109.834 0.238 5.605 1.00 0.00 C ATOM 0 H THR A 104 111.041 -0.402 7.707 1.00 0.00 H new ATOM 0 HA THR A 104 111.265 -2.866 6.019 1.00 0.00 H new ATOM 0 HB THR A 104 109.141 -1.801 5.486 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.388 -2.318 3.639 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.004 0.632 5.018 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.606 0.335 6.667 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.740 0.799 5.376 1.00 0.00 H new ATOM 1655 N VAL A 105 112.836 -1.518 4.326 1.00 0.00 N ATOM 1656 CA VAL A 105 114.078 -0.994 3.698 1.00 0.00 C ATOM 1657 C VAL A 105 113.847 -0.849 2.191 1.00 0.00 C ATOM 1658 O VAL A 105 113.064 -1.570 1.605 1.00 0.00 O ATOM 1659 CB VAL A 105 115.232 -1.967 3.951 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.405 -1.617 3.035 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.676 -1.860 5.411 1.00 0.00 C ATOM 0 H VAL A 105 112.282 -2.133 3.730 1.00 0.00 H new ATOM 0 HA VAL A 105 114.330 -0.025 4.128 1.00 0.00 H new ATOM 0 HB VAL A 105 114.901 -2.985 3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.227 -2.310 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.089 -1.692 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 105 116.737 -0.599 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.498 -2.552 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 105 116.007 -0.842 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.840 -2.109 6.065 1.00 0.00 H new ATOM 1671 N ARG A 106 114.515 0.079 1.559 1.00 0.00 N ATOM 1672 CA ARG A 106 114.324 0.270 0.092 1.00 0.00 C ATOM 1673 C ARG A 106 115.684 0.251 -0.608 1.00 0.00 C ATOM 1674 O ARG A 106 116.632 0.865 -0.157 1.00 0.00 O ATOM 1675 CB ARG A 106 113.640 1.618 -0.153 1.00 0.00 C ATOM 1676 CG ARG A 106 113.146 1.690 -1.599 1.00 0.00 C ATOM 1677 CD ARG A 106 112.525 3.065 -1.857 1.00 0.00 C ATOM 1678 NE ARG A 106 111.075 3.026 -1.513 1.00 0.00 N ATOM 1679 CZ ARG A 106 110.414 4.140 -1.343 1.00 0.00 C ATOM 1680 NH1 ARG A 106 109.145 4.105 -1.040 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.023 5.286 -1.476 1.00 0.00 N ATOM 0 H ARG A 106 115.185 0.713 1.995 1.00 0.00 H new ATOM 0 HA ARG A 106 113.704 -0.534 -0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 106 112.803 1.742 0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.338 2.432 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 106 113.974 1.518 -2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.411 0.907 -1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 106 113.032 3.823 -1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.655 3.344 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 106 110.599 2.130 -1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 106 108.670 3.208 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 106 108.628 4.974 -0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 106 112.015 5.312 -1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 106 110.507 6.156 -1.343 1.00 0.00 H new ATOM 1695 N GLU A 107 115.792 -0.450 -1.706 1.00 0.00 N ATOM 1696 CA GLU A 107 117.096 -0.504 -2.428 1.00 0.00 C ATOM 1697 C GLU A 107 116.845 -0.488 -3.937 1.00 0.00 C ATOM 1698 O GLU A 107 115.771 -0.821 -4.399 1.00 0.00 O ATOM 1699 CB GLU A 107 117.844 -1.781 -2.039 1.00 0.00 C ATOM 1700 CG GLU A 107 118.493 -1.594 -0.666 1.00 0.00 C ATOM 1701 CD GLU A 107 119.402 -2.787 -0.365 1.00 0.00 C ATOM 1702 OE1 GLU A 107 120.530 -2.779 -0.831 1.00 0.00 O ATOM 1703 OE2 GLU A 107 118.956 -3.687 0.327 1.00 0.00 O ATOM 0 H GLU A 107 115.036 -0.986 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 107 117.700 0.362 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.155 -2.626 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.605 -2.011 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.070 -0.670 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 107 117.725 -1.505 0.102 1.00 0.00 H new ATOM 1710 N ILE A 108 117.826 -0.105 -4.711 1.00 0.00 N ATOM 1711 CA ILE A 108 117.655 -0.066 -6.176 1.00 0.00 C ATOM 1712 C ILE A 108 118.672 -1.015 -6.789 1.00 0.00 C ATOM 1713 O ILE A 108 119.741 -0.620 -7.211 1.00 0.00 O ATOM 1714 CB ILE A 108 117.913 1.354 -6.662 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.004 2.329 -5.897 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.621 1.427 -8.153 1.00 0.00 C ATOM 1717 CD1 ILE A 108 115.766 2.662 -6.734 1.00 0.00 C ATOM 0 H ILE A 108 118.746 0.184 -4.378 1.00 0.00 H new ATOM 0 HA ILE A 108 116.646 -0.364 -6.462 1.00 0.00 H new ATOM 0 HB ILE A 108 118.953 1.627 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.702 1.888 -4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 108 117.552 3.242 -5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 108 117.803 2.441 -8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.271 0.732 -8.685 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.580 1.160 -8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 108 115.129 3.353 -6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 108 116.074 3.123 -7.672 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.212 1.747 -6.944 1.00 0.00 H new ATOM 1729 N ILE A 109 118.352 -2.270 -6.814 1.00 0.00 N ATOM 1730 CA ILE A 109 119.300 -3.265 -7.368 1.00 0.00 C ATOM 1731 C ILE A 109 119.500 -3.017 -8.857 1.00 0.00 C ATOM 1732 O ILE A 109 118.792 -3.542 -9.690 1.00 0.00 O ATOM 1733 CB ILE A 109 118.739 -4.670 -7.150 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.870 -5.036 -5.672 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.524 -5.674 -7.996 1.00 0.00 C ATOM 1736 CD1 ILE A 109 118.045 -4.063 -4.828 1.00 0.00 C ATOM 0 H ILE A 109 117.470 -2.653 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 109 120.261 -3.172 -6.862 1.00 0.00 H new ATOM 0 HB ILE A 109 117.690 -4.695 -7.445 1.00 0.00 H new ATOM 0 HG12 ILE A 109 118.526 -6.057 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 109 119.916 -4.999 -5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 109 119.122 -6.675 -7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 109 119.436 -5.409 -9.050 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.574 -5.654 -7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.139 -4.325 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 109 118.409 -3.047 -4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 109 116.998 -4.122 -5.124 1.00 0.00 H new ATOM 1748 N GLY A 110 120.485 -2.236 -9.189 1.00 0.00 N ATOM 1749 CA GLY A 110 120.778 -1.951 -10.624 1.00 0.00 C ATOM 1750 C GLY A 110 119.491 -1.632 -11.394 1.00 0.00 C ATOM 1751 O GLY A 110 119.226 -0.493 -11.720 1.00 0.00 O ATOM 0 H GLY A 110 121.107 -1.777 -8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.468 -1.111 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.273 -2.811 -11.076 1.00 0.00 H new ATOM 1755 N ASP A 111 118.702 -2.628 -11.713 1.00 0.00 N ATOM 1756 CA ASP A 111 117.452 -2.372 -12.485 1.00 0.00 C ATOM 1757 C ASP A 111 116.231 -2.923 -11.743 1.00 0.00 C ATOM 1758 O ASP A 111 115.247 -3.299 -12.350 1.00 0.00 O ATOM 1759 CB ASP A 111 117.558 -3.040 -13.857 1.00 0.00 C ATOM 1760 CG ASP A 111 116.497 -2.456 -14.793 1.00 0.00 C ATOM 1761 OD1 ASP A 111 115.364 -2.901 -14.722 1.00 0.00 O ATOM 1762 OD2 ASP A 111 116.838 -1.575 -15.564 1.00 0.00 O ATOM 0 H ASP A 111 118.871 -3.605 -11.472 1.00 0.00 H new ATOM 0 HA ASP A 111 117.330 -1.295 -12.602 1.00 0.00 H new ATOM 0 HB2 ASP A 111 118.553 -2.882 -14.274 1.00 0.00 H new ATOM 0 HB3 ASP A 111 117.420 -4.117 -13.761 1.00 0.00 H new ATOM 1767 N GLU A 112 116.274 -2.965 -10.443 1.00 0.00 N ATOM 1768 CA GLU A 112 115.104 -3.479 -9.679 1.00 0.00 C ATOM 1769 C GLU A 112 114.979 -2.706 -8.362 1.00 0.00 C ATOM 1770 O GLU A 112 115.957 -2.463 -7.684 1.00 0.00 O ATOM 1771 CB GLU A 112 115.294 -4.971 -9.391 1.00 0.00 C ATOM 1772 CG GLU A 112 116.277 -5.570 -10.400 1.00 0.00 C ATOM 1773 CD GLU A 112 116.428 -7.070 -10.137 1.00 0.00 C ATOM 1774 OE1 GLU A 112 115.626 -7.603 -9.389 1.00 0.00 O ATOM 1775 OE2 GLU A 112 117.342 -7.659 -10.690 1.00 0.00 O ATOM 0 H GLU A 112 117.067 -2.666 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 112 114.195 -3.342 -10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.668 -5.111 -8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.336 -5.488 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.919 -5.402 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 112 117.245 -5.076 -10.318 1.00 0.00 H new ATOM 1782 N LEU A 113 113.784 -2.326 -7.986 1.00 0.00 N ATOM 1783 CA LEU A 113 113.617 -1.578 -6.704 1.00 0.00 C ATOM 1784 C LEU A 113 113.208 -2.574 -5.624 1.00 0.00 C ATOM 1785 O LEU A 113 112.122 -3.114 -5.650 1.00 0.00 O ATOM 1786 CB LEU A 113 112.530 -0.508 -6.867 1.00 0.00 C ATOM 1787 CG LEU A 113 112.839 0.703 -5.974 1.00 0.00 C ATOM 1788 CD1 LEU A 113 112.409 1.987 -6.686 1.00 0.00 C ATOM 1789 CD2 LEU A 113 112.066 0.573 -4.659 1.00 0.00 C ATOM 0 H LEU A 113 112.924 -2.500 -8.506 1.00 0.00 H new ATOM 0 HA LEU A 113 114.550 -1.086 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.471 -0.195 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.558 -0.924 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 113 113.909 0.740 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 113 112.629 2.846 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 113 112.953 2.082 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 113 111.339 1.950 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 113 112.283 1.431 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 113 110.997 0.537 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 113 112.367 -0.342 -4.149 1.00 0.00 H new ATOM 1801 N VAL A 114 114.067 -2.842 -4.683 1.00 0.00 N ATOM 1802 CA VAL A 114 113.708 -3.827 -3.632 1.00 0.00 C ATOM 1803 C VAL A 114 113.168 -3.106 -2.401 1.00 0.00 C ATOM 1804 O VAL A 114 113.860 -2.339 -1.761 1.00 0.00 O ATOM 1805 CB VAL A 114 114.946 -4.637 -3.246 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.678 -5.395 -1.944 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.268 -5.637 -4.358 1.00 0.00 C ATOM 0 H VAL A 114 114.994 -2.425 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 114 112.939 -4.495 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 114 115.790 -3.962 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.561 -5.972 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 114 114.448 -4.684 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.833 -6.069 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.151 -6.215 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.422 -6.310 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.461 -5.099 -5.286 1.00 0.00 H new ATOM 1817 N GLN A 115 111.941 -3.367 -2.055 1.00 0.00 N ATOM 1818 CA GLN A 115 111.348 -2.727 -0.854 1.00 0.00 C ATOM 1819 C GLN A 115 110.923 -3.838 0.102 1.00 0.00 C ATOM 1820 O GLN A 115 109.925 -4.499 -0.107 1.00 0.00 O ATOM 1821 CB GLN A 115 110.126 -1.898 -1.260 1.00 0.00 C ATOM 1822 CG GLN A 115 109.804 -0.889 -0.157 1.00 0.00 C ATOM 1823 CD GLN A 115 108.721 0.075 -0.647 1.00 0.00 C ATOM 1824 OE1 GLN A 115 108.422 1.054 0.007 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.119 -0.162 -1.780 1.00 0.00 N ATOM 0 H GLN A 115 111.320 -4.001 -2.557 1.00 0.00 H new ATOM 0 HA GLN A 115 112.071 -2.067 -0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.322 -1.378 -2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.270 -2.551 -1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.464 -1.409 0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.702 -0.335 0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 115 108.370 -0.984 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.397 0.475 -2.117 1.00 0.00 H new ATOM 1834 N THR A 116 111.682 -4.071 1.136 1.00 0.00 N ATOM 1835 CA THR A 116 111.325 -5.162 2.082 1.00 0.00 C ATOM 1836 C THR A 116 110.761 -4.577 3.370 1.00 0.00 C ATOM 1837 O THR A 116 111.159 -3.521 3.816 1.00 0.00 O ATOM 1838 CB THR A 116 112.574 -5.983 2.409 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.466 -5.949 1.304 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.179 -7.431 2.704 1.00 0.00 C ATOM 0 H THR A 116 112.531 -3.555 1.366 1.00 0.00 H new ATOM 0 HA THR A 116 110.573 -5.799 1.617 1.00 0.00 H new ATOM 0 HB THR A 116 113.064 -5.559 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.267 -6.473 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.072 -8.012 2.936 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.498 -7.456 3.555 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.685 -7.858 1.831 1.00 0.00 H new ATOM 1848 N TYR A 117 109.846 -5.274 3.981 1.00 0.00 N ATOM 1849 CA TYR A 117 109.263 -4.780 5.260 1.00 0.00 C ATOM 1850 C TYR A 117 109.379 -5.864 6.314 1.00 0.00 C ATOM 1851 O TYR A 117 109.385 -7.039 6.024 1.00 0.00 O ATOM 1852 CB TYR A 117 107.784 -4.419 5.098 1.00 0.00 C ATOM 1853 CG TYR A 117 107.560 -3.780 3.762 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.780 -4.526 2.615 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.129 -2.453 3.672 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.571 -3.953 1.356 1.00 0.00 C ATOM 1857 CE2 TYR A 117 106.920 -1.872 2.419 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.141 -2.623 1.257 1.00 0.00 C ATOM 1859 OH TYR A 117 106.935 -2.053 0.017 1.00 0.00 O ATOM 0 H TYR A 117 109.476 -6.165 3.651 1.00 0.00 H new ATOM 0 HA TYR A 117 109.812 -3.886 5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.170 -5.315 5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.477 -3.739 5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.113 -5.550 2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 117 106.958 -1.878 4.570 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.741 -4.535 0.462 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.589 -0.847 2.346 1.00 0.00 H new ATOM 0 HH TYR A 117 106.419 -1.226 0.119 1.00 0.00 H new ATOM 1869 N VAL A 118 109.440 -5.458 7.537 1.00 0.00 N ATOM 1870 CA VAL A 118 109.525 -6.431 8.659 1.00 0.00 C ATOM 1871 C VAL A 118 108.345 -6.206 9.571 1.00 0.00 C ATOM 1872 O VAL A 118 107.860 -5.101 9.724 1.00 0.00 O ATOM 1873 CB VAL A 118 110.798 -6.228 9.472 1.00 0.00 C ATOM 1874 CG1 VAL A 118 111.022 -7.446 10.375 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.996 -6.044 8.536 1.00 0.00 C ATOM 0 H VAL A 118 109.435 -4.478 7.820 1.00 0.00 H new ATOM 0 HA VAL A 118 109.530 -7.440 8.246 1.00 0.00 H new ATOM 0 HB VAL A 118 110.695 -5.334 10.087 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.932 -7.304 10.958 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.173 -7.560 11.049 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.120 -8.341 9.761 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.901 -5.900 9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.109 -6.930 7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.833 -5.171 7.903 1.00 0.00 H new ATOM 1885 N TYR A 119 107.878 -7.243 10.179 1.00 0.00 N ATOM 1886 CA TYR A 119 106.718 -7.084 11.083 1.00 0.00 C ATOM 1887 C TYR A 119 106.837 -8.014 12.291 1.00 0.00 C ATOM 1888 O TYR A 119 106.710 -9.219 12.189 1.00 0.00 O ATOM 1889 CB TYR A 119 105.437 -7.392 10.310 1.00 0.00 C ATOM 1890 CG TYR A 119 104.371 -6.409 10.708 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.659 -6.614 11.886 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.087 -5.303 9.897 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.657 -5.716 12.266 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.089 -4.400 10.274 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.371 -4.606 11.459 1.00 0.00 C ATOM 1896 OH TYR A 119 101.382 -3.719 11.831 1.00 0.00 O ATOM 0 H TYR A 119 108.244 -8.191 10.093 1.00 0.00 H new ATOM 0 HA TYR A 119 106.692 -6.058 11.449 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.622 -7.332 9.237 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.107 -8.409 10.520 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.881 -7.469 12.508 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.638 -5.148 8.981 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.104 -5.877 13.180 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.872 -3.544 9.652 1.00 0.00 H new ATOM 0 HH TYR A 119 101.731 -2.804 11.790 1.00 0.00 H new ATOM 1906 N GLU A 120 107.060 -7.438 13.434 1.00 0.00 N ATOM 1907 CA GLU A 120 107.169 -8.229 14.695 1.00 0.00 C ATOM 1908 C GLU A 120 108.085 -9.434 14.511 1.00 0.00 C ATOM 1909 O GLU A 120 108.046 -10.376 15.276 1.00 0.00 O ATOM 1910 CB GLU A 120 105.779 -8.705 15.122 1.00 0.00 C ATOM 1911 CG GLU A 120 104.944 -7.504 15.573 1.00 0.00 C ATOM 1912 CD GLU A 120 103.558 -7.981 16.009 1.00 0.00 C ATOM 1913 OE1 GLU A 120 102.635 -7.855 15.222 1.00 0.00 O ATOM 1914 OE2 GLU A 120 103.443 -8.465 17.124 1.00 0.00 O ATOM 0 H GLU A 120 107.174 -6.432 13.554 1.00 0.00 H new ATOM 0 HA GLU A 120 107.596 -7.588 15.466 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.286 -9.213 14.293 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.864 -9.428 15.934 1.00 0.00 H new ATOM 0 HG2 GLU A 120 105.440 -6.992 16.398 1.00 0.00 H new ATOM 0 HG3 GLU A 120 104.853 -6.785 14.759 1.00 0.00 H new ATOM 1921 N GLY A 121 108.911 -9.410 13.514 1.00 0.00 N ATOM 1922 CA GLY A 121 109.836 -10.555 13.294 1.00 0.00 C ATOM 1923 C GLY A 121 109.443 -11.272 12.013 1.00 0.00 C ATOM 1924 O GLY A 121 109.671 -12.454 11.851 1.00 0.00 O ATOM 0 H GLY A 121 108.990 -8.649 12.839 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.864 -10.200 13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.791 -11.242 14.139 1.00 0.00 H new ATOM 1928 N VAL A 122 108.869 -10.556 11.090 1.00 0.00 N ATOM 1929 CA VAL A 122 108.476 -11.171 9.809 1.00 0.00 C ATOM 1930 C VAL A 122 109.145 -10.382 8.715 1.00 0.00 C ATOM 1931 O VAL A 122 109.818 -9.405 8.972 1.00 0.00 O ATOM 1932 CB VAL A 122 106.962 -11.129 9.631 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.556 -9.897 8.822 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.502 -12.389 8.902 1.00 0.00 C ATOM 0 H VAL A 122 108.656 -9.562 11.175 1.00 0.00 H new ATOM 0 HA VAL A 122 108.780 -12.217 9.781 1.00 0.00 H new ATOM 0 HB VAL A 122 106.492 -11.077 10.613 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.473 -9.881 8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.877 -8.996 9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.028 -9.935 7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.420 -12.361 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 122 106.982 -12.440 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.775 -13.268 9.486 1.00 0.00 H new ATOM 1944 N GLU A 123 108.982 -10.782 7.506 1.00 0.00 N ATOM 1945 CA GLU A 123 109.641 -10.019 6.423 1.00 0.00 C ATOM 1946 C GLU A 123 108.917 -10.207 5.087 1.00 0.00 C ATOM 1947 O GLU A 123 108.787 -11.305 4.584 1.00 0.00 O ATOM 1948 CB GLU A 123 111.088 -10.491 6.286 1.00 0.00 C ATOM 1949 CG GLU A 123 111.753 -9.756 5.125 1.00 0.00 C ATOM 1950 CD GLU A 123 113.245 -10.091 5.092 1.00 0.00 C ATOM 1951 OE1 GLU A 123 113.788 -10.385 6.144 1.00 0.00 O ATOM 1952 OE2 GLU A 123 113.818 -10.049 4.016 1.00 0.00 O ATOM 0 H GLU A 123 108.432 -11.590 7.215 1.00 0.00 H new ATOM 0 HA GLU A 123 109.609 -8.960 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.633 -10.302 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.116 -11.567 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.285 -10.043 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.614 -8.681 5.235 1.00 0.00 H new ATOM 1959 N ALA A 124 108.479 -9.128 4.494 1.00 0.00 N ATOM 1960 CA ALA A 124 107.799 -9.213 3.169 1.00 0.00 C ATOM 1961 C ALA A 124 108.694 -8.523 2.139 1.00 0.00 C ATOM 1962 O ALA A 124 109.312 -7.519 2.433 1.00 0.00 O ATOM 1963 CB ALA A 124 106.438 -8.511 3.236 1.00 0.00 C ATOM 0 H ALA A 124 108.564 -8.185 4.874 1.00 0.00 H new ATOM 0 HA ALA A 124 107.634 -10.254 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 124 105.947 -8.577 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.817 -8.993 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.582 -7.463 3.500 1.00 0.00 H new ATOM 1969 N LYS A 125 108.800 -9.049 0.946 1.00 0.00 N ATOM 1970 CA LYS A 125 109.691 -8.400 -0.056 1.00 0.00 C ATOM 1971 C LYS A 125 108.905 -7.964 -1.290 1.00 0.00 C ATOM 1972 O LYS A 125 108.033 -8.660 -1.771 1.00 0.00 O ATOM 1973 CB LYS A 125 110.783 -9.382 -0.481 1.00 0.00 C ATOM 1974 CG LYS A 125 111.945 -8.609 -1.114 1.00 0.00 C ATOM 1975 CD LYS A 125 112.722 -9.526 -2.063 1.00 0.00 C ATOM 1976 CE LYS A 125 113.595 -10.484 -1.251 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.781 -9.751 -0.726 1.00 0.00 N ATOM 0 H LYS A 125 108.315 -9.888 0.627 1.00 0.00 H new ATOM 0 HA LYS A 125 110.135 -7.518 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.135 -9.947 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.382 -10.104 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.565 -7.745 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.608 -8.229 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 125 112.030 -10.090 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.343 -8.931 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 125 113.021 -10.906 -0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 125 113.916 -11.318 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 115.521 -10.432 -0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 115.146 -9.111 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 114.505 -9.197 0.110 1.00 0.00 H new ATOM 1991 N ARG A 126 109.236 -6.817 -1.815 1.00 0.00 N ATOM 1992 CA ARG A 126 108.548 -6.315 -3.037 1.00 0.00 C ATOM 1993 C ARG A 126 109.616 -5.783 -3.995 1.00 0.00 C ATOM 1994 O ARG A 126 110.297 -4.821 -3.703 1.00 0.00 O ATOM 1995 CB ARG A 126 107.579 -5.195 -2.656 1.00 0.00 C ATOM 1996 CG ARG A 126 106.460 -5.766 -1.784 1.00 0.00 C ATOM 1997 CD ARG A 126 105.465 -4.656 -1.438 1.00 0.00 C ATOM 1998 NE ARG A 126 104.579 -4.399 -2.608 1.00 0.00 N ATOM 1999 CZ ARG A 126 103.632 -5.245 -2.909 1.00 0.00 C ATOM 2000 NH1 ARG A 126 102.855 -5.018 -3.933 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.460 -6.316 -2.185 1.00 0.00 N ATOM 0 H ARG A 126 109.960 -6.201 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 126 107.982 -7.115 -3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 126 108.108 -4.408 -2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.160 -4.741 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.951 -6.574 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.877 -6.192 -0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.868 -4.945 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 126 106.000 -3.746 -1.166 1.00 0.00 H new ATOM 0 HE ARG A 126 104.713 -3.561 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 126 102.988 -4.179 -4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 126 102.115 -5.679 -4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 126 104.066 -6.492 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.720 -6.977 -2.420 1.00 0.00 H new ATOM 2015 N ILE A 127 109.791 -6.417 -5.121 1.00 0.00 N ATOM 2016 CA ILE A 127 110.844 -5.964 -6.078 1.00 0.00 C ATOM 2017 C ILE A 127 110.212 -5.322 -7.313 1.00 0.00 C ATOM 2018 O ILE A 127 109.406 -5.925 -7.990 1.00 0.00 O ATOM 2019 CB ILE A 127 111.674 -7.170 -6.524 1.00 0.00 C ATOM 2020 CG1 ILE A 127 111.932 -8.103 -5.335 1.00 0.00 C ATOM 2021 CG2 ILE A 127 113.007 -6.685 -7.090 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.134 -9.531 -5.844 1.00 0.00 C ATOM 0 H ILE A 127 109.252 -7.229 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 127 111.474 -5.230 -5.577 1.00 0.00 H new ATOM 0 HB ILE A 127 111.125 -7.717 -7.290 1.00 0.00 H new ATOM 0 HG12 ILE A 127 112.813 -7.773 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.091 -8.068 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.600 -7.542 -7.409 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.824 -6.033 -7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.549 -6.134 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.318 -10.196 -5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.240 -9.858 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.988 -9.559 -6.520 1.00 0.00 H new ATOM 2034 N PHE A 128 110.585 -4.106 -7.621 1.00 0.00 N ATOM 2035 CA PHE A 128 110.019 -3.430 -8.827 1.00 0.00 C ATOM 2036 C PHE A 128 110.995 -3.553 -10.001 1.00 0.00 C ATOM 2037 O PHE A 128 112.080 -4.084 -9.879 1.00 0.00 O ATOM 2038 CB PHE A 128 109.783 -1.935 -8.565 1.00 0.00 C ATOM 2039 CG PHE A 128 108.967 -1.712 -7.312 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.231 -2.756 -6.758 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.932 -0.442 -6.721 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.457 -2.542 -5.612 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.162 -0.225 -5.572 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.422 -1.276 -5.017 1.00 0.00 C ATOM 0 H PHE A 128 111.257 -3.552 -7.090 1.00 0.00 H new ATOM 0 HA PHE A 128 109.071 -3.914 -9.059 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.742 -1.426 -8.471 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.269 -1.492 -9.418 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.258 -3.734 -7.214 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.499 0.370 -7.152 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.886 -3.354 -5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.139 0.753 -5.114 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.826 -1.110 -4.132 1.00 0.00 H new ATOM 2054 N LYS A 129 110.603 -3.038 -11.135 1.00 0.00 N ATOM 2055 CA LYS A 129 111.467 -3.081 -12.347 1.00 0.00 C ATOM 2056 C LYS A 129 111.010 -1.974 -13.304 1.00 0.00 C ATOM 2057 O LYS A 129 109.846 -1.632 -13.357 1.00 0.00 O ATOM 2058 CB LYS A 129 111.337 -4.441 -13.035 1.00 0.00 C ATOM 2059 CG LYS A 129 112.409 -4.566 -14.121 1.00 0.00 C ATOM 2060 CD LYS A 129 111.909 -5.492 -15.232 1.00 0.00 C ATOM 2061 CE LYS A 129 113.044 -5.762 -16.222 1.00 0.00 C ATOM 2062 NZ LYS A 129 114.269 -6.167 -15.476 1.00 0.00 N ATOM 0 H LYS A 129 109.702 -2.580 -11.274 1.00 0.00 H new ATOM 0 HA LYS A 129 112.509 -2.932 -12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.448 -5.242 -12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.345 -4.545 -13.474 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.642 -3.583 -14.531 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.331 -4.960 -13.693 1.00 0.00 H new ATOM 0 HD2 LYS A 129 111.554 -6.430 -14.805 1.00 0.00 H new ATOM 0 HD3 LYS A 129 111.064 -5.036 -15.747 1.00 0.00 H new ATOM 0 HE2 LYS A 129 112.753 -6.548 -16.919 1.00 0.00 H new ATOM 0 HE3 LYS A 129 113.245 -4.869 -16.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 114.887 -6.725 -16.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 114.777 -5.318 -15.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 114.000 -6.741 -14.652 1.00 0.00 H new ATOM 2076 N LYS A 130 111.916 -1.399 -14.044 1.00 0.00 N ATOM 2077 CA LYS A 130 111.532 -0.301 -14.976 1.00 0.00 C ATOM 2078 C LYS A 130 110.286 -0.704 -15.767 1.00 0.00 C ATOM 2079 O LYS A 130 110.225 -1.767 -16.351 1.00 0.00 O ATOM 2080 CB LYS A 130 112.684 -0.032 -15.946 1.00 0.00 C ATOM 2081 CG LYS A 130 112.769 -1.169 -16.967 1.00 0.00 C ATOM 2082 CD LYS A 130 114.163 -1.188 -17.596 1.00 0.00 C ATOM 2083 CE LYS A 130 114.203 -2.227 -18.719 1.00 0.00 C ATOM 2084 NZ LYS A 130 113.349 -1.768 -19.850 1.00 0.00 N ATOM 0 H LYS A 130 112.907 -1.642 -14.044 1.00 0.00 H new ATOM 0 HA LYS A 130 111.318 0.600 -14.401 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.529 0.918 -16.457 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.623 0.050 -15.398 1.00 0.00 H new ATOM 0 HG2 LYS A 130 112.564 -2.123 -16.482 1.00 0.00 H new ATOM 0 HG3 LYS A 130 112.012 -1.035 -17.740 1.00 0.00 H new ATOM 0 HD2 LYS A 130 114.409 -0.202 -17.990 1.00 0.00 H new ATOM 0 HD3 LYS A 130 114.911 -1.425 -16.840 1.00 0.00 H new ATOM 0 HE2 LYS A 130 115.228 -2.372 -19.059 1.00 0.00 H new ATOM 0 HE3 LYS A 130 113.850 -3.190 -18.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 113.648 -2.243 -20.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 112.355 -2.001 -19.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 113.447 -0.739 -19.963 1.00 0.00 H new ATOM 2098 N ASP A 131 109.290 0.140 -15.786 1.00 0.00 N ATOM 2099 CA ASP A 131 108.047 -0.190 -16.538 1.00 0.00 C ATOM 2100 C ASP A 131 108.416 -0.759 -17.909 1.00 0.00 C ATOM 2101 O ASP A 131 109.287 -0.193 -18.549 1.00 0.00 O ATOM 2102 CB ASP A 131 107.208 1.075 -16.720 1.00 0.00 C ATOM 2103 CG ASP A 131 108.114 2.232 -17.143 1.00 0.00 C ATOM 2104 OD1 ASP A 131 107.702 3.370 -16.987 1.00 0.00 O ATOM 2105 OD2 ASP A 131 109.205 1.962 -17.617 1.00 0.00 O ATOM 0 H ASP A 131 109.284 1.044 -15.313 1.00 0.00 H new ATOM 0 HA ASP A 131 107.472 -0.929 -15.980 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.438 0.908 -17.473 1.00 0.00 H new ATOM 0 HB3 ASP A 131 106.696 1.321 -15.790 1.00 0.00 H new