USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 871 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 37 TYR OH : rot 33:sc= -1.04! USER MOD Set 1.2: A 58 ASN : amide:sc= -0.54! X(o=-1.6!,f=-1.8) USER MOD Single : A 1 MET CE :methyl -121:sc= -0.0584 (180deg=-3!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.0235 F(o=-0.98,f=-0.023) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -35:sc= 1.22 USER MOD Single : A 14 GLN : amide:sc= -0.336 K(o=-0.34,f=-1.7) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0237 USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= -0.322 (180deg=-0.948) USER MOD Single : A 23 HIS : no HD1:sc= 0.146 K(o=0.15,f=-2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -1.82 (180deg=-3.44!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0928) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.554 USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0257) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= -0.0342 (180deg=-0.211) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.0521 (180deg=-0.266) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 1.6 (180deg=1.44) USER MOD Single : A 54 THR OG1 : rot 38:sc= 0.358 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc=-0.00481 (180deg=-0.121) USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= -0.0122 (180deg=-0.158) USER MOD Single : A 68 TYR OH : rot 30:sc= -0.0795 USER MOD Single : A 69 HIS : +bothHN:sc= 1.16 K(o=1.2,f=-4.5!) USER MOD Single : A 70 SER OG : rot 42:sc= 0.244 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= -0.0317 (180deg=-0.207) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -139:sc= 1.1 (180deg=0.892) USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= 0.99 (180deg=0.816) USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 1.06 (180deg=1.04) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.09) USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= 0.943 (180deg=0.91) USER MOD Single : A 100 HIS : no HD1:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.468 K(o=-0.47,f=-2.8!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 103 HIS : no HE2:sc= -0.133 K(o=-0.13,f=-1.7) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.850 -13.083 2.890 1.00 54.24 N ATOM 2 CA MET A 1 14.644 -12.013 1.874 1.00 13.20 C ATOM 3 C MET A 1 14.911 -12.552 0.460 1.00 1.23 C ATOM 4 O MET A 1 16.042 -12.517 -0.028 1.00 50.12 O ATOM 5 CB MET A 1 15.556 -10.812 2.173 1.00 15.55 C ATOM 6 CG MET A 1 15.352 -9.626 1.239 1.00 14.35 C ATOM 7 SD MET A 1 16.479 -8.266 1.606 1.00 64.33 S ATOM 8 CE MET A 1 15.940 -7.042 0.413 1.00 3.13 C ATOM 0 H1 MET A 1 14.665 -12.701 3.839 1.00 54.24 H new ATOM 0 H2 MET A 1 14.198 -13.871 2.701 1.00 54.24 H new ATOM 0 H3 MET A 1 15.831 -13.425 2.840 1.00 54.24 H new ATOM 0 HA MET A 1 13.606 -11.683 1.924 1.00 13.20 H new ATOM 0 HB2 MET A 1 15.384 -10.486 3.199 1.00 15.55 H new ATOM 0 HB3 MET A 1 16.595 -11.135 2.111 1.00 15.55 H new ATOM 0 HG2 MET A 1 15.498 -9.948 0.208 1.00 14.35 H new ATOM 0 HG3 MET A 1 14.323 -9.275 1.320 1.00 14.35 H new ATOM 0 HE1 MET A 1 16.773 -6.776 -0.237 1.00 3.13 H new ATOM 0 HE2 MET A 1 15.128 -7.452 -0.187 1.00 3.13 H new ATOM 0 HE3 MET A 1 15.590 -6.153 0.937 1.00 3.13 H new ATOM 20 N ASP A 2 13.872 -13.071 -0.185 1.00 44.43 N ATOM 21 CA ASP A 2 14.019 -13.701 -1.499 1.00 12.24 C ATOM 22 C ASP A 2 13.846 -12.679 -2.632 1.00 71.33 C ATOM 23 O ASP A 2 12.733 -12.239 -2.923 1.00 40.11 O ATOM 24 CB ASP A 2 13.000 -14.833 -1.652 1.00 42.33 C ATOM 25 CG ASP A 2 13.002 -15.773 -0.461 1.00 3.45 C ATOM 26 OD1 ASP A 2 14.009 -16.484 -0.261 1.00 4.30 O ATOM 27 OD2 ASP A 2 12.006 -15.789 0.294 1.00 30.13 O ATOM 0 H ASP A 2 12.918 -13.070 0.177 1.00 44.43 H new ATOM 0 HA ASP A 2 15.027 -14.110 -1.567 1.00 12.24 H new ATOM 0 HB2 ASP A 2 12.004 -14.408 -1.775 1.00 42.33 H new ATOM 0 HB3 ASP A 2 13.220 -15.397 -2.558 1.00 42.33 H new ATOM 32 N LEU A 3 14.951 -12.305 -3.270 1.00 10.41 N ATOM 33 CA LEU A 3 14.925 -11.319 -4.359 1.00 20.12 C ATOM 34 C LEU A 3 14.468 -11.944 -5.688 1.00 60.54 C ATOM 35 O LEU A 3 14.141 -11.227 -6.637 1.00 72.11 O ATOM 36 CB LEU A 3 16.312 -10.680 -4.527 1.00 61.22 C ATOM 37 CG LEU A 3 16.817 -9.886 -3.309 1.00 2.32 C ATOM 38 CD1 LEU A 3 18.230 -9.363 -3.550 1.00 72.31 C ATOM 39 CD2 LEU A 3 15.866 -8.737 -2.978 1.00 1.23 C ATOM 0 H LEU A 3 15.880 -12.667 -3.055 1.00 10.41 H new ATOM 0 HA LEU A 3 14.201 -10.550 -4.089 1.00 20.12 H new ATOM 0 HB2 LEU A 3 17.032 -11.466 -4.753 1.00 61.22 H new ATOM 0 HB3 LEU A 3 16.286 -10.014 -5.390 1.00 61.22 H new ATOM 0 HG LEU A 3 16.846 -10.562 -2.454 1.00 2.32 H new ATOM 0 HD11 LEU A 3 18.566 -8.805 -2.676 1.00 72.31 H new ATOM 0 HD12 LEU A 3 18.903 -10.202 -3.726 1.00 72.31 H new ATOM 0 HD13 LEU A 3 18.232 -8.708 -4.421 1.00 72.31 H new ATOM 0 HD21 LEU A 3 16.243 -8.190 -2.114 1.00 1.23 H new ATOM 0 HD22 LEU A 3 15.798 -8.064 -3.832 1.00 1.23 H new ATOM 0 HD23 LEU A 3 14.878 -9.137 -2.751 1.00 1.23 H new ATOM 51 N ASN A 4 14.437 -13.277 -5.740 1.00 13.43 N ATOM 52 CA ASN A 4 14.026 -14.020 -6.944 1.00 13.02 C ATOM 53 C ASN A 4 12.698 -13.507 -7.535 1.00 4.42 C ATOM 54 O ASN A 4 12.592 -13.280 -8.738 1.00 34.22 O ATOM 55 CB ASN A 4 13.903 -15.511 -6.619 1.00 3.52 C ATOM 56 CG ASN A 4 15.228 -16.142 -6.219 1.00 22.24 C ATOM 57 OD1 ASN A 4 16.311 -15.684 -6.811 1.00 13.01 O flip ATOM 58 ND2 ASN A 4 15.274 -17.048 -5.392 1.00 45.54 N flip ATOM 0 H ASN A 4 14.694 -13.875 -4.954 1.00 13.43 H new ATOM 0 HA ASN A 4 14.798 -13.861 -7.697 1.00 13.02 H new ATOM 0 HB2 ASN A 4 13.185 -15.643 -5.810 1.00 3.52 H new ATOM 0 HB3 ASN A 4 13.504 -16.035 -7.488 1.00 3.52 H new ATOM 0 HD21 ASN A 4 14.416 -17.380 -4.951 1.00 45.54 H new ATOM 0 HD22 ASN A 4 16.170 -17.469 -5.146 1.00 45.54 H new ATOM 65 N ARG A 5 11.685 -13.331 -6.685 1.00 61.44 N ATOM 66 CA ARG A 5 10.371 -12.847 -7.145 1.00 53.41 C ATOM 67 C ARG A 5 10.123 -11.377 -6.758 1.00 41.02 C ATOM 68 O ARG A 5 9.005 -10.878 -6.869 1.00 74.24 O ATOM 69 CB ARG A 5 9.229 -13.742 -6.617 1.00 54.44 C ATOM 70 CG ARG A 5 9.268 -14.029 -5.113 1.00 23.32 C ATOM 71 CD ARG A 5 10.162 -15.224 -4.783 1.00 11.51 C ATOM 72 NE ARG A 5 10.202 -15.506 -3.348 1.00 22.42 N ATOM 73 CZ ARG A 5 10.136 -16.705 -2.832 1.00 71.22 C ATOM 74 NH1 ARG A 5 9.919 -17.739 -3.580 1.00 54.41 N ATOM 75 NH2 ARG A 5 10.250 -16.868 -1.555 1.00 54.21 N ATOM 0 H ARG A 5 11.742 -13.513 -5.683 1.00 61.44 H new ATOM 0 HA ARG A 5 10.382 -12.903 -8.234 1.00 53.41 H new ATOM 0 HB2 ARG A 5 8.277 -13.268 -6.856 1.00 54.44 H new ATOM 0 HB3 ARG A 5 9.255 -14.691 -7.153 1.00 54.44 H new ATOM 0 HG2 ARG A 5 9.631 -13.147 -4.585 1.00 23.32 H new ATOM 0 HG3 ARG A 5 8.257 -14.222 -4.754 1.00 23.32 H new ATOM 0 HD2 ARG A 5 9.800 -16.104 -5.314 1.00 11.51 H new ATOM 0 HD3 ARG A 5 11.173 -15.029 -5.141 1.00 11.51 H new ATOM 0 HE ARG A 5 10.287 -14.716 -2.709 1.00 22.42 H new ATOM 0 HH11 ARG A 5 9.797 -17.624 -4.586 1.00 54.41 H new ATOM 0 HH12 ARG A 5 9.870 -18.669 -3.163 1.00 54.41 H new ATOM 0 HH21 ARG A 5 10.392 -16.060 -0.948 1.00 54.21 H new ATOM 0 HH22 ARG A 5 10.198 -17.804 -1.154 1.00 54.21 H new ATOM 89 N MET A 6 11.175 -10.682 -6.325 1.00 42.12 N ATOM 90 CA MET A 6 11.082 -9.253 -5.983 1.00 51.43 C ATOM 91 C MET A 6 11.515 -8.369 -7.163 1.00 33.30 C ATOM 92 O MET A 6 12.258 -8.811 -8.042 1.00 63.04 O ATOM 93 CB MET A 6 11.945 -8.941 -4.754 1.00 40.34 C ATOM 94 CG MET A 6 11.377 -9.493 -3.456 1.00 72.13 C ATOM 95 SD MET A 6 9.785 -8.754 -3.034 1.00 34.42 S ATOM 96 CE MET A 6 9.388 -9.629 -1.522 1.00 72.12 C ATOM 0 H MET A 6 12.105 -11.082 -6.201 1.00 42.12 H new ATOM 0 HA MET A 6 10.039 -9.033 -5.754 1.00 51.43 H new ATOM 0 HB2 MET A 6 12.943 -9.351 -4.908 1.00 40.34 H new ATOM 0 HB3 MET A 6 12.055 -7.860 -4.662 1.00 40.34 H new ATOM 0 HG2 MET A 6 11.262 -10.573 -3.543 1.00 72.13 H new ATOM 0 HG3 MET A 6 12.085 -9.312 -2.647 1.00 72.13 H new ATOM 0 HE1 MET A 6 8.429 -9.279 -1.141 1.00 72.12 H new ATOM 0 HE2 MET A 6 9.330 -10.698 -1.725 1.00 72.12 H new ATOM 0 HE3 MET A 6 10.164 -9.442 -0.779 1.00 72.12 H new ATOM 106 N GLY A 7 11.054 -7.119 -7.175 1.00 3.34 N ATOM 107 CA GLY A 7 11.390 -6.205 -8.261 1.00 40.10 C ATOM 108 C GLY A 7 10.748 -4.829 -8.106 1.00 11.23 C ATOM 109 O GLY A 7 11.183 -4.022 -7.288 1.00 63.04 O ATOM 0 H GLY A 7 10.454 -6.721 -6.453 1.00 3.34 H new ATOM 0 HA2 GLY A 7 12.473 -6.091 -8.310 1.00 40.10 H new ATOM 0 HA3 GLY A 7 11.073 -6.643 -9.208 1.00 40.10 H new ATOM 113 N LYS A 8 9.716 -4.561 -8.901 1.00 0.22 N ATOM 114 CA LYS A 8 9.008 -3.274 -8.861 1.00 13.35 C ATOM 115 C LYS A 8 7.505 -3.461 -9.115 1.00 73.41 C ATOM 116 O LYS A 8 7.103 -4.043 -10.122 1.00 44.24 O ATOM 117 CB LYS A 8 9.615 -2.284 -9.882 1.00 23.25 C ATOM 118 CG LYS A 8 10.489 -2.933 -10.969 1.00 12.41 C ATOM 119 CD LYS A 8 9.982 -2.652 -12.384 1.00 64.52 C ATOM 120 CE LYS A 8 8.686 -3.395 -12.687 1.00 21.35 C ATOM 121 NZ LYS A 8 8.251 -3.208 -14.095 1.00 34.44 N ATOM 0 H LYS A 8 9.346 -5.219 -9.587 1.00 0.22 H new ATOM 0 HA LYS A 8 9.130 -2.855 -7.862 1.00 13.35 H new ATOM 0 HB2 LYS A 8 8.804 -1.739 -10.365 1.00 23.25 H new ATOM 0 HB3 LYS A 8 10.215 -1.551 -9.343 1.00 23.25 H new ATOM 0 HG2 LYS A 8 11.511 -2.565 -10.875 1.00 12.41 H new ATOM 0 HG3 LYS A 8 10.522 -4.010 -10.807 1.00 12.41 H new ATOM 0 HD2 LYS A 8 9.822 -1.581 -12.505 1.00 64.52 H new ATOM 0 HD3 LYS A 8 10.744 -2.944 -13.106 1.00 64.52 H new ATOM 0 HE2 LYS A 8 8.823 -4.458 -12.488 1.00 21.35 H new ATOM 0 HE3 LYS A 8 7.902 -3.044 -12.016 1.00 21.35 H new ATOM 0 HZ1 LYS A 8 7.366 -3.730 -14.257 1.00 34.44 H new ATOM 0 HZ2 LYS A 8 8.095 -2.196 -14.279 1.00 34.44 H new ATOM 0 HZ3 LYS A 8 8.987 -3.566 -14.736 1.00 34.44 H new ATOM 135 N ASP A 9 6.683 -2.954 -8.199 1.00 21.21 N ATOM 136 CA ASP A 9 5.223 -3.118 -8.281 1.00 31.03 C ATOM 137 C ASP A 9 4.497 -1.769 -8.378 1.00 24.11 C ATOM 138 O ASP A 9 5.022 -0.732 -7.959 1.00 65.10 O ATOM 139 CB ASP A 9 4.713 -3.872 -7.049 1.00 24.43 C ATOM 140 CG ASP A 9 5.394 -5.211 -6.878 1.00 22.11 C ATOM 141 OD1 ASP A 9 4.914 -6.206 -7.465 1.00 35.24 O ATOM 142 OD2 ASP A 9 6.416 -5.270 -6.161 1.00 20.34 O ATOM 0 H ASP A 9 6.999 -2.424 -7.387 1.00 21.21 H new ATOM 0 HA ASP A 9 5.011 -3.685 -9.188 1.00 31.03 H new ATOM 0 HB2 ASP A 9 4.879 -3.265 -6.159 1.00 24.43 H new ATOM 0 HB3 ASP A 9 3.637 -4.022 -7.136 1.00 24.43 H new ATOM 147 N GLU A 10 3.282 -1.795 -8.924 1.00 72.31 N ATOM 148 CA GLU A 10 2.411 -0.618 -8.944 1.00 62.31 C ATOM 149 C GLU A 10 1.265 -0.785 -7.927 1.00 74.03 C ATOM 150 O GLU A 10 0.301 -1.511 -8.167 1.00 12.33 O ATOM 151 CB GLU A 10 1.843 -0.376 -10.357 1.00 21.32 C ATOM 152 CG GLU A 10 1.131 -1.586 -10.964 1.00 34.31 C ATOM 153 CD GLU A 10 0.318 -1.235 -12.198 1.00 31.21 C ATOM 154 OE1 GLU A 10 0.886 -1.200 -13.310 1.00 51.11 O ATOM 155 OE2 GLU A 10 -0.899 -0.990 -12.060 1.00 30.12 O ATOM 0 H GLU A 10 2.876 -2.622 -9.361 1.00 72.31 H new ATOM 0 HA GLU A 10 3.006 0.251 -8.664 1.00 62.31 H new ATOM 0 HB2 GLU A 10 1.144 0.460 -10.317 1.00 21.32 H new ATOM 0 HB3 GLU A 10 2.658 -0.079 -11.018 1.00 21.32 H new ATOM 0 HG2 GLU A 10 1.870 -2.343 -11.225 1.00 34.31 H new ATOM 0 HG3 GLU A 10 0.473 -2.028 -10.215 1.00 34.31 H new ATOM 162 N TYR A 11 1.383 -0.128 -6.776 1.00 20.40 N ATOM 163 CA TYR A 11 0.364 -0.241 -5.726 1.00 73.54 C ATOM 164 C TYR A 11 -0.685 0.872 -5.826 1.00 54.11 C ATOM 165 O TYR A 11 -0.352 2.059 -5.805 1.00 3.31 O ATOM 166 CB TYR A 11 1.012 -0.227 -4.331 1.00 24.14 C ATOM 167 CG TYR A 11 1.764 -1.502 -3.993 1.00 51.44 C ATOM 168 CD1 TYR A 11 1.092 -2.714 -3.877 1.00 24.21 C ATOM 169 CD2 TYR A 11 3.138 -1.493 -3.784 1.00 63.32 C ATOM 170 CE1 TYR A 11 1.767 -3.879 -3.565 1.00 63.01 C ATOM 171 CE2 TYR A 11 3.817 -2.655 -3.472 1.00 25.43 C ATOM 172 CZ TYR A 11 3.129 -3.844 -3.365 1.00 41.51 C ATOM 173 OH TYR A 11 3.807 -5.000 -3.056 1.00 13.30 O ATOM 0 H TYR A 11 2.165 0.484 -6.544 1.00 20.40 H new ATOM 0 HA TYR A 11 -0.142 -1.195 -5.874 1.00 73.54 H new ATOM 0 HB2 TYR A 11 1.699 0.617 -4.268 1.00 24.14 H new ATOM 0 HB3 TYR A 11 0.237 -0.064 -3.582 1.00 24.14 H new ATOM 0 HD1 TYR A 11 0.024 -2.745 -4.033 1.00 24.21 H new ATOM 0 HD2 TYR A 11 3.683 -0.564 -3.867 1.00 63.32 H new ATOM 0 HE1 TYR A 11 1.229 -4.812 -3.479 1.00 63.01 H new ATOM 0 HE2 TYR A 11 4.885 -2.631 -3.312 1.00 25.43 H new ATOM 0 HH TYR A 11 4.761 -4.801 -2.948 1.00 13.30 H new ATOM 183 N TYR A 12 -1.952 0.474 -5.945 1.00 71.52 N ATOM 184 CA TYR A 12 -3.072 1.421 -5.941 1.00 30.45 C ATOM 185 C TYR A 12 -3.362 1.903 -4.511 1.00 21.15 C ATOM 186 O TYR A 12 -3.938 1.177 -3.699 1.00 45.02 O ATOM 187 CB TYR A 12 -4.325 0.775 -6.551 1.00 63.20 C ATOM 188 CG TYR A 12 -4.189 0.444 -8.030 1.00 3.34 C ATOM 189 CD1 TYR A 12 -3.550 -0.721 -8.450 1.00 54.32 C ATOM 190 CD2 TYR A 12 -4.698 1.299 -9.005 1.00 42.02 C ATOM 191 CE1 TYR A 12 -3.425 -1.023 -9.795 1.00 63.52 C ATOM 192 CE2 TYR A 12 -4.578 1.001 -10.351 1.00 4.53 C ATOM 193 CZ TYR A 12 -3.940 -0.158 -10.740 1.00 5.12 C ATOM 194 OH TYR A 12 -3.818 -0.453 -12.083 1.00 55.01 O ATOM 0 H TYR A 12 -2.231 -0.502 -6.046 1.00 71.52 H new ATOM 0 HA TYR A 12 -2.796 2.283 -6.549 1.00 30.45 H new ATOM 0 HB2 TYR A 12 -4.554 -0.139 -6.003 1.00 63.20 H new ATOM 0 HB3 TYR A 12 -5.172 1.448 -6.416 1.00 63.20 H new ATOM 0 HD1 TYR A 12 -3.145 -1.400 -7.714 1.00 54.32 H new ATOM 0 HD2 TYR A 12 -5.195 2.210 -8.705 1.00 42.02 H new ATOM 0 HE1 TYR A 12 -2.927 -1.930 -10.104 1.00 63.52 H new ATOM 0 HE2 TYR A 12 -4.982 1.673 -11.094 1.00 4.53 H new ATOM 0 HH TYR A 12 -2.962 -0.903 -12.243 1.00 55.01 H new ATOM 204 N VAL A 13 -2.940 3.126 -4.207 1.00 13.33 N ATOM 205 CA VAL A 13 -3.079 3.685 -2.859 1.00 4.12 C ATOM 206 C VAL A 13 -4.246 4.680 -2.756 1.00 15.02 C ATOM 207 O VAL A 13 -4.775 5.151 -3.764 1.00 5.51 O ATOM 208 CB VAL A 13 -1.779 4.400 -2.427 1.00 34.52 C ATOM 209 CG1 VAL A 13 -0.588 3.446 -2.477 1.00 44.42 C ATOM 210 CG2 VAL A 13 -1.527 5.627 -3.302 1.00 3.43 C ATOM 0 H VAL A 13 -2.496 3.755 -4.877 1.00 13.33 H new ATOM 0 HA VAL A 13 -3.283 2.843 -2.197 1.00 4.12 H new ATOM 0 HB VAL A 13 -1.900 4.732 -1.396 1.00 34.52 H new ATOM 0 HG11 VAL A 13 0.314 3.974 -2.168 1.00 44.42 H new ATOM 0 HG12 VAL A 13 -0.765 2.607 -1.804 1.00 44.42 H new ATOM 0 HG13 VAL A 13 -0.461 3.075 -3.494 1.00 44.42 H new ATOM 0 HG21 VAL A 13 -0.608 6.118 -2.984 1.00 3.43 H new ATOM 0 HG22 VAL A 13 -1.432 5.318 -4.343 1.00 3.43 H new ATOM 0 HG23 VAL A 13 -2.362 6.321 -3.204 1.00 3.43 H new ATOM 220 N GLN A 14 -4.624 5.003 -1.520 1.00 41.51 N ATOM 221 CA GLN A 14 -5.674 5.993 -1.248 1.00 64.03 C ATOM 222 C GLN A 14 -5.132 7.077 -0.299 1.00 1.42 C ATOM 223 O GLN A 14 -4.388 6.777 0.637 1.00 43.40 O ATOM 224 CB GLN A 14 -6.910 5.301 -0.631 1.00 33.21 C ATOM 225 CG GLN A 14 -8.248 5.716 -1.251 1.00 40.31 C ATOM 226 CD GLN A 14 -8.579 7.189 -1.068 1.00 12.31 C ATOM 227 OE1 GLN A 14 -8.181 7.816 -0.096 1.00 52.11 O ATOM 228 NE2 GLN A 14 -9.321 7.752 -1.999 1.00 33.33 N ATOM 0 H GLN A 14 -4.216 4.591 -0.681 1.00 41.51 H new ATOM 0 HA GLN A 14 -5.975 6.464 -2.184 1.00 64.03 H new ATOM 0 HB2 GLN A 14 -6.796 4.222 -0.734 1.00 33.21 H new ATOM 0 HB3 GLN A 14 -6.936 5.518 0.437 1.00 33.21 H new ATOM 0 HG2 GLN A 14 -8.231 5.487 -2.316 1.00 40.31 H new ATOM 0 HG3 GLN A 14 -9.044 5.117 -0.809 1.00 40.31 H new ATOM 0 HE21 GLN A 14 -9.638 7.204 -2.799 1.00 33.33 H new ATOM 0 HE22 GLN A 14 -9.578 8.736 -1.920 1.00 33.33 H new ATOM 237 N ILE A 15 -5.495 8.333 -0.541 1.00 44.44 N ATOM 238 CA ILE A 15 -4.994 9.445 0.277 1.00 50.34 C ATOM 239 C ILE A 15 -5.527 9.388 1.721 1.00 2.33 C ATOM 240 O ILE A 15 -6.669 9.761 1.993 1.00 65.43 O ATOM 241 CB ILE A 15 -5.344 10.818 -0.355 1.00 53.42 C ATOM 242 CG1 ILE A 15 -4.690 10.946 -1.741 1.00 24.35 C ATOM 243 CG2 ILE A 15 -4.909 11.970 0.556 1.00 22.21 C ATOM 244 CD1 ILE A 15 -3.180 10.808 -1.716 1.00 50.33 C ATOM 0 H ILE A 15 -6.129 8.610 -1.290 1.00 44.44 H new ATOM 0 HA ILE A 15 -3.910 9.337 0.309 1.00 50.34 H new ATOM 0 HB ILE A 15 -6.426 10.875 -0.472 1.00 53.42 H new ATOM 0 HG12 ILE A 15 -5.105 10.184 -2.401 1.00 24.35 H new ATOM 0 HG13 ILE A 15 -4.951 11.914 -2.168 1.00 24.35 H new ATOM 0 HG21 ILE A 15 -5.166 12.921 0.089 1.00 22.21 H new ATOM 0 HG22 ILE A 15 -5.419 11.888 1.516 1.00 22.21 H new ATOM 0 HG23 ILE A 15 -3.831 11.923 0.713 1.00 22.21 H new ATOM 0 HD11 ILE A 15 -2.789 10.909 -2.728 1.00 50.33 H new ATOM 0 HD12 ILE A 15 -2.754 11.586 -1.083 1.00 50.33 H new ATOM 0 HD13 ILE A 15 -2.911 9.829 -1.319 1.00 50.33 H new ATOM 256 N THR A 16 -4.696 8.897 2.638 1.00 60.30 N ATOM 257 CA THR A 16 -5.035 8.885 4.068 1.00 35.34 C ATOM 258 C THR A 16 -4.683 10.226 4.725 1.00 54.51 C ATOM 259 O THR A 16 -5.565 10.987 5.134 1.00 21.32 O ATOM 260 CB THR A 16 -4.293 7.748 4.815 1.00 33.43 C ATOM 261 OG1 THR A 16 -2.874 7.924 4.686 1.00 32.15 O ATOM 262 CG2 THR A 16 -4.695 6.381 4.270 1.00 11.34 C ATOM 0 H THR A 16 -3.781 8.501 2.421 1.00 60.30 H new ATOM 0 HA THR A 16 -6.109 8.715 4.140 1.00 35.34 H new ATOM 0 HB THR A 16 -4.572 7.793 5.868 1.00 33.43 H new ATOM 0 HG1 THR A 16 -2.410 7.203 5.161 1.00 32.15 H new ATOM 0 HG21 THR A 16 -4.160 5.601 4.812 1.00 11.34 H new ATOM 0 HG22 THR A 16 -5.768 6.240 4.397 1.00 11.34 H new ATOM 0 HG23 THR A 16 -4.445 6.324 3.211 1.00 11.34 H new ATOM 270 N VAL A 17 -3.385 10.514 4.815 1.00 14.12 N ATOM 271 CA VAL A 17 -2.892 11.780 5.371 1.00 74.34 C ATOM 272 C VAL A 17 -2.185 12.627 4.297 1.00 52.52 C ATOM 273 O VAL A 17 -1.328 12.133 3.562 1.00 72.22 O ATOM 274 CB VAL A 17 -1.929 11.533 6.563 1.00 52.21 C ATOM 275 CG1 VAL A 17 -2.678 10.916 7.741 1.00 35.33 C ATOM 276 CG2 VAL A 17 -0.758 10.644 6.145 1.00 62.14 C ATOM 0 H VAL A 17 -2.646 9.882 4.507 1.00 14.12 H new ATOM 0 HA VAL A 17 -3.761 12.331 5.731 1.00 74.34 H new ATOM 0 HB VAL A 17 -1.527 12.496 6.877 1.00 52.21 H new ATOM 0 HG11 VAL A 17 -1.985 10.751 8.566 1.00 35.33 H new ATOM 0 HG12 VAL A 17 -3.471 11.592 8.062 1.00 35.33 H new ATOM 0 HG13 VAL A 17 -3.114 9.964 7.437 1.00 35.33 H new ATOM 0 HG21 VAL A 17 -0.098 10.486 6.998 1.00 62.14 H new ATOM 0 HG22 VAL A 17 -1.137 9.683 5.797 1.00 62.14 H new ATOM 0 HG23 VAL A 17 -0.203 11.128 5.341 1.00 62.14 H new ATOM 286 N ASP A 18 -2.548 13.906 4.208 1.00 61.30 N ATOM 287 CA ASP A 18 -2.031 14.788 3.152 1.00 61.12 C ATOM 288 C ASP A 18 -1.503 16.132 3.698 1.00 22.00 C ATOM 289 O ASP A 18 -1.850 16.552 4.801 1.00 22.00 O ATOM 290 CB ASP A 18 -3.140 15.042 2.126 1.00 64.30 C ATOM 291 CG ASP A 18 -4.357 15.715 2.743 1.00 12.23 C ATOM 292 OD1 ASP A 18 -5.134 15.029 3.447 1.00 61.25 O ATOM 293 OD2 ASP A 18 -4.534 16.934 2.544 1.00 72.34 O ATOM 0 H ASP A 18 -3.197 14.358 4.852 1.00 61.30 H new ATOM 0 HA ASP A 18 -1.184 14.284 2.687 1.00 61.12 H new ATOM 0 HB2 ASP A 18 -2.751 15.667 1.322 1.00 64.30 H new ATOM 0 HB3 ASP A 18 -3.440 14.095 1.677 1.00 64.30 H new ATOM 298 N GLY A 19 -0.658 16.796 2.907 1.00 52.55 N ATOM 299 CA GLY A 19 -0.222 18.160 3.214 1.00 74.33 C ATOM 300 C GLY A 19 0.751 18.300 4.390 1.00 11.41 C ATOM 301 O GLY A 19 1.041 19.421 4.814 1.00 0.41 O ATOM 0 H GLY A 19 -0.262 16.412 2.049 1.00 52.55 H new ATOM 0 HA2 GLY A 19 0.249 18.579 2.325 1.00 74.33 H new ATOM 0 HA3 GLY A 19 -1.104 18.765 3.423 1.00 74.33 H new ATOM 305 N LYS A 20 1.268 17.190 4.921 1.00 34.12 N ATOM 306 CA LYS A 20 2.214 17.259 6.049 1.00 4.10 C ATOM 307 C LYS A 20 3.573 17.811 5.600 1.00 50.04 C ATOM 308 O LYS A 20 4.384 17.097 5.011 1.00 41.14 O ATOM 309 CB LYS A 20 2.397 15.887 6.726 1.00 42.41 C ATOM 310 CG LYS A 20 1.255 15.492 7.660 1.00 0.41 C ATOM 311 CD LYS A 20 -0.010 15.124 6.899 1.00 14.14 C ATOM 312 CE LYS A 20 -1.176 14.864 7.843 1.00 42.43 C ATOM 313 NZ LYS A 20 -0.833 13.866 8.897 1.00 35.13 N ATOM 0 H LYS A 20 1.056 16.246 4.599 1.00 34.12 H new ATOM 0 HA LYS A 20 1.785 17.943 6.781 1.00 4.10 H new ATOM 0 HB2 LYS A 20 2.500 15.124 5.954 1.00 42.41 H new ATOM 0 HB3 LYS A 20 3.328 15.895 7.292 1.00 42.41 H new ATOM 0 HG2 LYS A 20 1.566 14.647 8.274 1.00 0.41 H new ATOM 0 HG3 LYS A 20 1.041 16.318 8.339 1.00 0.41 H new ATOM 0 HD2 LYS A 20 -0.270 15.930 6.212 1.00 14.14 H new ATOM 0 HD3 LYS A 20 0.174 14.236 6.294 1.00 14.14 H new ATOM 0 HE2 LYS A 20 -1.476 15.800 8.314 1.00 42.43 H new ATOM 0 HE3 LYS A 20 -2.032 14.507 7.271 1.00 42.43 H new ATOM 0 HZ1 LYS A 20 -1.705 13.430 9.259 1.00 35.13 H new ATOM 0 HZ2 LYS A 20 -0.220 13.130 8.492 1.00 35.13 H new ATOM 0 HZ3 LYS A 20 -0.334 14.341 9.676 1.00 35.13 H new ATOM 327 N GLU A 21 3.802 19.094 5.867 1.00 31.53 N ATOM 328 CA GLU A 21 5.063 19.755 5.510 1.00 12.12 C ATOM 329 C GLU A 21 6.148 19.500 6.563 1.00 65.22 C ATOM 330 O GLU A 21 5.961 19.805 7.743 1.00 3.54 O ATOM 331 CB GLU A 21 4.854 21.269 5.382 1.00 34.12 C ATOM 332 CG GLU A 21 3.717 21.676 4.458 1.00 40.40 C ATOM 333 CD GLU A 21 3.513 23.182 4.429 1.00 22.35 C ATOM 334 OE1 GLU A 21 3.251 23.764 5.502 1.00 53.55 O ATOM 335 OE2 GLU A 21 3.612 23.786 3.342 1.00 2.10 O ATOM 0 H GLU A 21 3.129 19.703 6.332 1.00 31.53 H new ATOM 0 HA GLU A 21 5.387 19.338 4.557 1.00 12.12 H new ATOM 0 HB2 GLU A 21 4.664 21.681 6.373 1.00 34.12 H new ATOM 0 HB3 GLU A 21 5.778 21.721 5.020 1.00 34.12 H new ATOM 0 HG2 GLU A 21 3.925 21.320 3.449 1.00 40.40 H new ATOM 0 HG3 GLU A 21 2.796 21.192 4.783 1.00 40.40 H new ATOM 342 N VAL A 22 7.284 18.962 6.140 1.00 14.32 N ATOM 343 CA VAL A 22 8.410 18.754 7.048 1.00 42.31 C ATOM 344 C VAL A 22 9.172 20.069 7.304 1.00 75.14 C ATOM 345 O VAL A 22 10.186 20.369 6.672 1.00 43.23 O ATOM 346 CB VAL A 22 9.374 17.651 6.530 1.00 14.23 C ATOM 347 CG1 VAL A 22 8.677 16.290 6.530 1.00 54.51 C ATOM 348 CG2 VAL A 22 9.899 17.978 5.132 1.00 30.10 C ATOM 0 H VAL A 22 7.452 18.662 5.180 1.00 14.32 H new ATOM 0 HA VAL A 22 7.996 18.411 7.996 1.00 42.31 H new ATOM 0 HB VAL A 22 10.228 17.612 7.207 1.00 14.23 H new ATOM 0 HG11 VAL A 22 9.366 15.528 6.164 1.00 54.51 H new ATOM 0 HG12 VAL A 22 8.366 16.041 7.544 1.00 54.51 H new ATOM 0 HG13 VAL A 22 7.802 16.329 5.881 1.00 54.51 H new ATOM 0 HG21 VAL A 22 10.570 17.186 4.801 1.00 30.10 H new ATOM 0 HG22 VAL A 22 9.062 18.058 4.438 1.00 30.10 H new ATOM 0 HG23 VAL A 22 10.440 18.924 5.159 1.00 30.10 H new ATOM 358 N HIS A 23 8.641 20.878 8.218 1.00 33.02 N ATOM 359 CA HIS A 23 9.295 22.133 8.631 1.00 14.31 C ATOM 360 C HIS A 23 10.520 21.862 9.530 1.00 52.51 C ATOM 361 O HIS A 23 10.656 22.446 10.604 1.00 14.21 O ATOM 362 CB HIS A 23 8.299 23.042 9.375 1.00 51.21 C ATOM 363 CG HIS A 23 7.296 23.722 8.489 1.00 14.30 C ATOM 364 ND1 HIS A 23 7.388 25.053 8.142 1.00 21.12 N ATOM 365 CD2 HIS A 23 6.163 23.266 7.904 1.00 1.31 C ATOM 366 CE1 HIS A 23 6.360 25.385 7.388 1.00 40.13 C ATOM 367 NE2 HIS A 23 5.599 24.322 7.225 1.00 52.35 N ATOM 0 H HIS A 23 7.757 20.692 8.692 1.00 33.02 H new ATOM 0 HA HIS A 23 9.637 22.636 7.726 1.00 14.31 H new ATOM 0 HB2 HIS A 23 7.766 22.446 10.116 1.00 51.21 H new ATOM 0 HB3 HIS A 23 8.858 23.802 9.920 1.00 51.21 H new ATOM 0 HD2 HIS A 23 5.774 22.260 7.960 1.00 1.31 H new ATOM 0 HE1 HIS A 23 6.173 26.364 6.973 1.00 40.13 H new ATOM 0 HE2 HIS A 23 4.735 24.287 6.685 1.00 52.35 H new ATOM 376 N SER A 24 11.419 20.989 9.069 1.00 50.14 N ATOM 377 CA SER A 24 12.614 20.606 9.841 1.00 53.33 C ATOM 378 C SER A 24 13.501 21.818 10.162 1.00 15.52 C ATOM 379 O SER A 24 14.206 21.833 11.171 1.00 12.34 O ATOM 380 CB SER A 24 13.432 19.556 9.072 1.00 25.25 C ATOM 381 OG SER A 24 14.520 19.076 9.849 1.00 12.33 O ATOM 0 H SER A 24 11.345 20.530 8.161 1.00 50.14 H new ATOM 0 HA SER A 24 12.269 20.183 10.784 1.00 53.33 H new ATOM 0 HB2 SER A 24 12.787 18.723 8.793 1.00 25.25 H new ATOM 0 HB3 SER A 24 13.808 19.992 8.147 1.00 25.25 H new ATOM 0 HG SER A 24 15.020 18.409 9.334 1.00 12.33 H new ATOM 387 N LYS A 25 13.467 22.821 9.281 1.00 74.25 N ATOM 388 CA LYS A 25 14.200 24.079 9.470 1.00 33.43 C ATOM 389 C LYS A 25 15.719 23.871 9.394 1.00 50.23 C ATOM 390 O LYS A 25 16.371 23.538 10.386 1.00 64.00 O ATOM 391 CB LYS A 25 13.809 24.757 10.798 1.00 32.34 C ATOM 392 CG LYS A 25 14.443 26.135 10.995 1.00 73.01 C ATOM 393 CD LYS A 25 13.941 26.842 12.260 1.00 33.43 C ATOM 394 CE LYS A 25 14.597 26.313 13.540 1.00 5.12 C ATOM 395 NZ LYS A 25 14.313 24.874 13.779 1.00 73.45 N ATOM 0 H LYS A 25 12.930 22.785 8.415 1.00 74.25 H new ATOM 0 HA LYS A 25 13.917 24.741 8.652 1.00 33.43 H new ATOM 0 HB2 LYS A 25 12.724 24.857 10.839 1.00 32.34 H new ATOM 0 HB3 LYS A 25 14.101 24.111 11.626 1.00 32.34 H new ATOM 0 HG2 LYS A 25 15.526 26.028 11.049 1.00 73.01 H new ATOM 0 HG3 LYS A 25 14.228 26.757 10.126 1.00 73.01 H new ATOM 0 HD2 LYS A 25 14.135 27.911 12.174 1.00 33.43 H new ATOM 0 HD3 LYS A 25 12.860 26.719 12.334 1.00 33.43 H new ATOM 0 HE2 LYS A 25 15.675 26.461 13.478 1.00 5.12 H new ATOM 0 HE3 LYS A 25 14.244 26.895 14.391 1.00 5.12 H new ATOM 0 HZ1 LYS A 25 14.358 24.676 14.799 1.00 73.45 H new ATOM 0 HZ2 LYS A 25 13.363 24.644 13.424 1.00 73.45 H new ATOM 0 HZ3 LYS A 25 15.018 24.294 13.282 1.00 73.45 H new ATOM 409 N ALA A 26 16.268 24.030 8.197 1.00 44.22 N ATOM 410 CA ALA A 26 17.714 23.963 7.993 1.00 34.32 C ATOM 411 C ALA A 26 18.362 25.329 8.254 1.00 5.11 C ATOM 412 O ALA A 26 18.595 26.112 7.325 1.00 14.02 O ATOM 413 CB ALA A 26 18.039 23.473 6.586 1.00 40.21 C ATOM 0 H ALA A 26 15.733 24.207 7.347 1.00 44.22 H new ATOM 0 HA ALA A 26 18.125 23.248 8.706 1.00 34.32 H new ATOM 0 HB1 ALA A 26 19.120 23.431 6.456 1.00 40.21 H new ATOM 0 HB2 ALA A 26 17.617 22.479 6.440 1.00 40.21 H new ATOM 0 HB3 ALA A 26 17.612 24.159 5.854 1.00 40.21 H new ATOM 419 N ASP A 27 18.607 25.631 9.528 1.00 74.50 N ATOM 420 CA ASP A 27 19.256 26.886 9.919 1.00 13.42 C ATOM 421 C ASP A 27 20.615 27.041 9.227 1.00 1.12 C ATOM 422 O ASP A 27 21.627 26.486 9.663 1.00 15.23 O ATOM 423 CB ASP A 27 19.412 26.961 11.438 1.00 62.12 C ATOM 424 CG ASP A 27 18.071 26.976 12.143 1.00 61.01 C ATOM 425 OD1 ASP A 27 17.390 28.021 12.101 1.00 71.13 O ATOM 426 OD2 ASP A 27 17.694 25.944 12.734 1.00 13.21 O ATOM 0 H ASP A 27 18.366 25.023 10.311 1.00 74.50 H new ATOM 0 HA ASP A 27 18.619 27.710 9.598 1.00 13.42 H new ATOM 0 HB2 ASP A 27 19.996 26.109 11.786 1.00 62.12 H new ATOM 0 HB3 ASP A 27 19.971 27.859 11.702 1.00 62.12 H new ATOM 431 N ASN A 28 20.613 27.805 8.142 1.00 74.42 N ATOM 432 CA ASN A 28 21.784 27.954 7.272 1.00 10.10 C ATOM 433 C ASN A 28 21.420 28.806 6.047 1.00 34.05 C ATOM 434 O ASN A 28 22.272 29.465 5.445 1.00 33.51 O ATOM 435 CB ASN A 28 22.288 26.572 6.815 1.00 34.14 C ATOM 436 CG ASN A 28 23.798 26.509 6.718 1.00 30.53 C ATOM 437 OD1 ASN A 28 24.384 26.781 5.677 1.00 50.43 O ATOM 438 ND2 ASN A 28 24.440 26.153 7.813 1.00 64.55 N ATOM 0 H ASN A 28 19.801 28.341 7.836 1.00 74.42 H new ATOM 0 HA ASN A 28 22.576 28.451 7.832 1.00 10.10 H new ATOM 0 HB2 ASN A 28 21.940 25.812 7.515 1.00 34.14 H new ATOM 0 HB3 ASN A 28 21.854 26.333 5.844 1.00 34.14 H new ATOM 0 HD21 ASN A 28 25.458 26.097 7.812 1.00 64.55 H new ATOM 0 HD22 ASN A 28 23.918 25.934 8.662 1.00 64.55 H new ATOM 445 N GLY A 29 20.137 28.771 5.684 1.00 41.23 N ATOM 446 CA GLY A 29 19.638 29.525 4.541 1.00 1.14 C ATOM 447 C GLY A 29 18.496 28.808 3.837 1.00 62.55 C ATOM 448 O GLY A 29 17.565 29.438 3.332 1.00 52.51 O ATOM 0 H GLY A 29 19.425 28.225 6.169 1.00 41.23 H new ATOM 0 HA2 GLY A 29 19.299 30.506 4.874 1.00 1.14 H new ATOM 0 HA3 GLY A 29 20.451 29.692 3.834 1.00 1.14 H new ATOM 452 N GLN A 30 18.564 27.478 3.825 1.00 11.14 N ATOM 453 CA GLN A 30 17.575 26.647 3.132 1.00 64.44 C ATOM 454 C GLN A 30 16.298 26.447 3.964 1.00 60.04 C ATOM 455 O GLN A 30 16.221 25.575 4.833 1.00 31.44 O ATOM 456 CB GLN A 30 18.194 25.290 2.780 1.00 24.21 C ATOM 457 CG GLN A 30 17.326 24.418 1.876 1.00 53.54 C ATOM 458 CD GLN A 30 18.006 23.113 1.495 1.00 42.33 C ATOM 459 OE1 GLN A 30 19.229 23.030 1.415 1.00 15.21 O ATOM 460 NE2 GLN A 30 17.221 22.084 1.249 1.00 3.01 N ATOM 0 H GLN A 30 19.300 26.947 4.291 1.00 11.14 H new ATOM 0 HA GLN A 30 17.287 27.169 2.220 1.00 64.44 H new ATOM 0 HB2 GLN A 30 19.153 25.458 2.291 1.00 24.21 H new ATOM 0 HB3 GLN A 30 18.397 24.746 3.703 1.00 24.21 H new ATOM 0 HG2 GLN A 30 16.386 24.199 2.382 1.00 53.54 H new ATOM 0 HG3 GLN A 30 17.079 24.973 0.971 1.00 53.54 H new ATOM 0 HE21 GLN A 30 16.209 22.185 1.324 1.00 3.01 H new ATOM 0 HE22 GLN A 30 17.625 21.186 0.983 1.00 3.01 H new ATOM 469 N LYS A 31 15.306 27.283 3.703 1.00 45.05 N ATOM 470 CA LYS A 31 13.986 27.156 4.329 1.00 1.41 C ATOM 471 C LYS A 31 13.031 26.390 3.401 1.00 32.21 C ATOM 472 O LYS A 31 12.261 26.982 2.641 1.00 53.20 O ATOM 473 CB LYS A 31 13.425 28.545 4.678 1.00 41.40 C ATOM 474 CG LYS A 31 14.250 29.283 5.729 1.00 3.42 C ATOM 475 CD LYS A 31 13.723 30.688 5.994 1.00 2.14 C ATOM 476 CE LYS A 31 14.480 31.371 7.129 1.00 35.40 C ATOM 477 NZ LYS A 31 15.944 31.457 6.866 1.00 45.22 N ATOM 0 H LYS A 31 15.385 28.067 3.056 1.00 45.05 H new ATOM 0 HA LYS A 31 14.085 26.590 5.255 1.00 1.41 H new ATOM 0 HB2 LYS A 31 13.380 29.149 3.772 1.00 41.40 H new ATOM 0 HB3 LYS A 31 12.403 28.436 5.040 1.00 41.40 H new ATOM 0 HG2 LYS A 31 14.244 28.714 6.658 1.00 3.42 H new ATOM 0 HG3 LYS A 31 15.287 29.342 5.398 1.00 3.42 H new ATOM 0 HD2 LYS A 31 13.810 31.286 5.087 1.00 2.14 H new ATOM 0 HD3 LYS A 31 12.663 30.638 6.242 1.00 2.14 H new ATOM 0 HE2 LYS A 31 14.081 32.375 7.276 1.00 35.40 H new ATOM 0 HE3 LYS A 31 14.312 30.822 8.056 1.00 35.40 H new ATOM 0 HZ1 LYS A 31 16.394 32.045 7.596 1.00 45.22 H new ATOM 0 HZ2 LYS A 31 16.357 30.503 6.887 1.00 45.22 H new ATOM 0 HZ3 LYS A 31 16.104 31.883 5.931 1.00 45.22 H new ATOM 491 N TYR A 32 13.112 25.063 3.462 1.00 32.04 N ATOM 492 CA TYR A 32 12.388 24.183 2.532 1.00 31.15 C ATOM 493 C TYR A 32 11.138 23.553 3.178 1.00 0.51 C ATOM 494 O TYR A 32 11.113 23.286 4.382 1.00 41.22 O ATOM 495 CB TYR A 32 13.329 23.068 2.043 1.00 43.23 C ATOM 496 CG TYR A 32 13.793 22.136 3.154 1.00 15.04 C ATOM 497 CD1 TYR A 32 14.877 22.461 3.968 1.00 23.51 C ATOM 498 CD2 TYR A 32 13.136 20.932 3.398 1.00 70.12 C ATOM 499 CE1 TYR A 32 15.285 21.616 4.981 1.00 23.42 C ATOM 500 CE2 TYR A 32 13.541 20.087 4.410 1.00 21.04 C ATOM 501 CZ TYR A 32 14.614 20.433 5.198 1.00 50.13 C ATOM 502 OH TYR A 32 15.019 19.589 6.208 1.00 21.24 O ATOM 0 H TYR A 32 13.676 24.565 4.151 1.00 32.04 H new ATOM 0 HA TYR A 32 12.053 24.794 1.694 1.00 31.15 H new ATOM 0 HB2 TYR A 32 12.819 22.483 1.277 1.00 43.23 H new ATOM 0 HB3 TYR A 32 14.201 23.520 1.571 1.00 43.23 H new ATOM 0 HD1 TYR A 32 15.406 23.388 3.804 1.00 23.51 H new ATOM 0 HD2 TYR A 32 12.293 20.655 2.783 1.00 70.12 H new ATOM 0 HE1 TYR A 32 16.128 21.882 5.601 1.00 23.42 H new ATOM 0 HE2 TYR A 32 13.018 19.158 4.583 1.00 21.04 H new ATOM 0 HH TYR A 32 14.439 18.799 6.227 1.00 21.24 H new ATOM 512 N LYS A 33 10.106 23.328 2.368 1.00 44.04 N ATOM 513 CA LYS A 33 8.898 22.614 2.809 1.00 21.22 C ATOM 514 C LYS A 33 8.578 21.442 1.866 1.00 3.42 C ATOM 515 O LYS A 33 8.124 21.646 0.739 1.00 23.43 O ATOM 516 CB LYS A 33 7.680 23.562 2.878 1.00 72.12 C ATOM 517 CG LYS A 33 7.546 24.347 4.186 1.00 25.04 C ATOM 518 CD LYS A 33 8.647 25.395 4.377 1.00 4.13 C ATOM 519 CE LYS A 33 8.697 26.404 3.234 1.00 64.22 C ATOM 520 NZ LYS A 33 7.442 27.193 3.125 1.00 12.33 N ATOM 0 H LYS A 33 10.078 23.630 1.394 1.00 44.04 H new ATOM 0 HA LYS A 33 9.099 22.226 3.808 1.00 21.22 H new ATOM 0 HB2 LYS A 33 7.742 24.270 2.051 1.00 72.12 H new ATOM 0 HB3 LYS A 33 6.773 22.976 2.729 1.00 72.12 H new ATOM 0 HG2 LYS A 33 6.575 24.842 4.207 1.00 25.04 H new ATOM 0 HG3 LYS A 33 7.567 23.650 5.024 1.00 25.04 H new ATOM 0 HD2 LYS A 33 8.483 25.923 5.316 1.00 4.13 H new ATOM 0 HD3 LYS A 33 9.612 24.894 4.457 1.00 4.13 H new ATOM 0 HE2 LYS A 33 9.538 27.081 3.386 1.00 64.22 H new ATOM 0 HE3 LYS A 33 8.876 25.879 2.296 1.00 64.22 H new ATOM 0 HZ1 LYS A 33 7.541 27.900 2.368 1.00 12.33 H new ATOM 0 HZ2 LYS A 33 6.650 26.557 2.903 1.00 12.33 H new ATOM 0 HZ3 LYS A 33 7.256 27.676 4.027 1.00 12.33 H new ATOM 534 N ASP A 34 8.832 20.218 2.320 1.00 64.13 N ATOM 535 CA ASP A 34 8.467 19.023 1.552 1.00 24.13 C ATOM 536 C ASP A 34 7.150 18.429 2.065 1.00 71.42 C ATOM 537 O ASP A 34 6.964 18.254 3.271 1.00 75.41 O ATOM 538 CB ASP A 34 9.576 17.970 1.622 1.00 73.53 C ATOM 539 CG ASP A 34 10.876 18.458 1.012 1.00 25.54 C ATOM 540 OD1 ASP A 34 10.912 18.680 -0.218 1.00 23.51 O ATOM 541 OD2 ASP A 34 11.866 18.621 1.754 1.00 35.54 O ATOM 0 H ASP A 34 9.287 20.024 3.212 1.00 64.13 H new ATOM 0 HA ASP A 34 8.336 19.323 0.512 1.00 24.13 H new ATOM 0 HB2 ASP A 34 9.747 17.695 2.663 1.00 73.53 H new ATOM 0 HB3 ASP A 34 9.250 17.068 1.103 1.00 73.53 H new ATOM 546 N TYR A 35 6.240 18.126 1.143 1.00 43.21 N ATOM 547 CA TYR A 35 4.935 17.561 1.496 1.00 14.31 C ATOM 548 C TYR A 35 5.006 16.028 1.568 1.00 50.44 C ATOM 549 O TYR A 35 5.110 15.354 0.545 1.00 24.33 O ATOM 550 CB TYR A 35 3.884 17.991 0.466 1.00 61.31 C ATOM 551 CG TYR A 35 3.792 19.496 0.282 1.00 5.44 C ATOM 552 CD1 TYR A 35 3.055 20.282 1.162 1.00 2.23 C ATOM 553 CD2 TYR A 35 4.449 20.133 -0.769 1.00 73.52 C ATOM 554 CE1 TYR A 35 2.975 21.650 1.002 1.00 32.05 C ATOM 555 CE2 TYR A 35 4.372 21.503 -0.933 1.00 24.43 C ATOM 556 CZ TYR A 35 3.634 22.256 -0.044 1.00 12.22 C ATOM 557 OH TYR A 35 3.558 23.622 -0.196 1.00 33.41 O ATOM 0 H TYR A 35 6.380 18.262 0.142 1.00 43.21 H new ATOM 0 HA TYR A 35 4.650 17.937 2.478 1.00 14.31 H new ATOM 0 HB2 TYR A 35 4.118 17.530 -0.494 1.00 61.31 H new ATOM 0 HB3 TYR A 35 2.910 17.611 0.773 1.00 61.31 H new ATOM 0 HD1 TYR A 35 2.536 19.813 1.985 1.00 2.23 H new ATOM 0 HD2 TYR A 35 5.028 19.546 -1.467 1.00 73.52 H new ATOM 0 HE1 TYR A 35 2.397 22.244 1.695 1.00 32.05 H new ATOM 0 HE2 TYR A 35 4.887 21.981 -1.753 1.00 24.43 H new ATOM 0 HH TYR A 35 4.079 23.893 -0.981 1.00 33.41 H new ATOM 567 N GLU A 36 4.941 15.478 2.775 1.00 34.12 N ATOM 568 CA GLU A 36 5.088 14.033 2.970 1.00 3.43 C ATOM 569 C GLU A 36 3.727 13.328 3.063 1.00 21.24 C ATOM 570 O GLU A 36 2.883 13.682 3.894 1.00 14.20 O ATOM 571 CB GLU A 36 5.903 13.751 4.237 1.00 11.20 C ATOM 572 CG GLU A 36 6.189 12.269 4.467 1.00 53.01 C ATOM 573 CD GLU A 36 6.968 12.017 5.746 1.00 54.32 C ATOM 574 OE1 GLU A 36 6.340 11.934 6.822 1.00 55.15 O ATOM 575 OE2 GLU A 36 8.210 11.911 5.684 1.00 23.12 O ATOM 0 H GLU A 36 4.788 16.006 3.634 1.00 34.12 H new ATOM 0 HA GLU A 36 5.613 13.638 2.100 1.00 3.43 H new ATOM 0 HB2 GLU A 36 6.849 14.289 4.177 1.00 11.20 H new ATOM 0 HB3 GLU A 36 5.366 14.146 5.099 1.00 11.20 H new ATOM 0 HG2 GLU A 36 5.247 11.723 4.506 1.00 53.01 H new ATOM 0 HG3 GLU A 36 6.751 11.875 3.620 1.00 53.01 H new ATOM 582 N TYR A 37 3.527 12.323 2.211 1.00 70.22 N ATOM 583 CA TYR A 37 2.291 11.528 2.199 1.00 14.42 C ATOM 584 C TYR A 37 2.595 10.046 2.480 1.00 40.14 C ATOM 585 O TYR A 37 3.306 9.395 1.710 1.00 12.04 O ATOM 586 CB TYR A 37 1.593 11.646 0.832 1.00 42.15 C ATOM 587 CG TYR A 37 1.387 13.074 0.354 1.00 24.42 C ATOM 588 CD1 TYR A 37 2.423 13.778 -0.252 1.00 52.52 C ATOM 589 CD2 TYR A 37 0.165 13.719 0.508 1.00 33.12 C ATOM 590 CE1 TYR A 37 2.249 15.075 -0.686 1.00 61.52 C ATOM 591 CE2 TYR A 37 -0.016 15.020 0.074 1.00 31.12 C ATOM 592 CZ TYR A 37 1.030 15.691 -0.523 1.00 70.33 C ATOM 593 OH TYR A 37 0.862 16.987 -0.954 1.00 24.22 O ATOM 0 H TYR A 37 4.211 12.035 1.511 1.00 70.22 H new ATOM 0 HA TYR A 37 1.636 11.915 2.980 1.00 14.42 H new ATOM 0 HB2 TYR A 37 2.182 11.108 0.089 1.00 42.15 H new ATOM 0 HB3 TYR A 37 0.623 11.151 0.889 1.00 42.15 H new ATOM 0 HD1 TYR A 37 3.382 13.299 -0.385 1.00 52.52 H new ATOM 0 HD2 TYR A 37 -0.657 13.196 0.974 1.00 33.12 H new ATOM 0 HE1 TYR A 37 3.066 15.605 -1.152 1.00 61.52 H new ATOM 0 HE2 TYR A 37 -0.971 15.507 0.202 1.00 31.12 H new ATOM 0 HH TYR A 37 1.409 17.140 -1.753 1.00 24.22 H new ATOM 603 N LYS A 38 2.071 9.514 3.585 1.00 72.51 N ATOM 604 CA LYS A 38 2.224 8.086 3.895 1.00 75.12 C ATOM 605 C LYS A 38 0.872 7.361 3.828 1.00 22.54 C ATOM 606 O LYS A 38 -0.052 7.669 4.581 1.00 25.12 O ATOM 607 CB LYS A 38 2.869 7.889 5.275 1.00 41.42 C ATOM 608 CG LYS A 38 3.196 6.428 5.584 1.00 21.13 C ATOM 609 CD LYS A 38 4.013 6.274 6.864 1.00 60.11 C ATOM 610 CE LYS A 38 3.227 6.692 8.099 1.00 52.12 C ATOM 611 NZ LYS A 38 2.041 5.825 8.314 1.00 52.24 N ATOM 0 H LYS A 38 1.540 10.043 4.277 1.00 72.51 H new ATOM 0 HA LYS A 38 2.883 7.652 3.143 1.00 75.12 H new ATOM 0 HB2 LYS A 38 3.784 8.479 5.329 1.00 41.42 H new ATOM 0 HB3 LYS A 38 2.196 8.274 6.042 1.00 41.42 H new ATOM 0 HG2 LYS A 38 2.269 5.863 5.678 1.00 21.13 H new ATOM 0 HG3 LYS A 38 3.749 5.998 4.749 1.00 21.13 H new ATOM 0 HD2 LYS A 38 4.328 5.236 6.970 1.00 60.11 H new ATOM 0 HD3 LYS A 38 4.919 6.876 6.790 1.00 60.11 H new ATOM 0 HE2 LYS A 38 3.874 6.647 8.975 1.00 52.12 H new ATOM 0 HE3 LYS A 38 2.906 7.728 7.993 1.00 52.12 H new ATOM 0 HZ1 LYS A 38 1.658 5.990 9.267 1.00 52.24 H new ATOM 0 HZ2 LYS A 38 1.314 6.049 7.605 1.00 52.24 H new ATOM 0 HZ3 LYS A 38 2.319 4.827 8.221 1.00 52.24 H new ATOM 625 N LEU A 39 0.780 6.388 2.929 1.00 70.31 N ATOM 626 CA LEU A 39 -0.480 5.696 2.650 1.00 2.11 C ATOM 627 C LEU A 39 -0.257 4.202 2.353 1.00 34.34 C ATOM 628 O LEU A 39 0.878 3.743 2.206 1.00 53.34 O ATOM 629 CB LEU A 39 -1.205 6.399 1.484 1.00 40.21 C ATOM 630 CG LEU A 39 -0.291 7.111 0.460 1.00 73.53 C ATOM 631 CD1 LEU A 39 0.644 6.128 -0.243 1.00 12.03 C ATOM 632 CD2 LEU A 39 -1.124 7.889 -0.557 1.00 35.15 C ATOM 0 H LEU A 39 1.569 6.056 2.374 1.00 70.31 H new ATOM 0 HA LEU A 39 -1.108 5.745 3.540 1.00 2.11 H new ATOM 0 HB2 LEU A 39 -1.806 5.659 0.955 1.00 40.21 H new ATOM 0 HB3 LEU A 39 -1.896 7.133 1.899 1.00 40.21 H new ATOM 0 HG LEU A 39 0.332 7.817 1.010 1.00 73.53 H new ATOM 0 HD11 LEU A 39 1.270 6.667 -0.955 1.00 12.03 H new ATOM 0 HD12 LEU A 39 1.276 5.635 0.496 1.00 12.03 H new ATOM 0 HD13 LEU A 39 0.054 5.380 -0.773 1.00 12.03 H new ATOM 0 HD21 LEU A 39 -0.462 8.383 -1.268 1.00 35.15 H new ATOM 0 HD22 LEU A 39 -1.782 7.202 -1.090 1.00 35.15 H new ATOM 0 HD23 LEU A 39 -1.723 8.638 -0.040 1.00 35.15 H new ATOM 644 N THR A 40 -1.350 3.450 2.263 1.00 72.13 N ATOM 645 CA THR A 40 -1.279 1.991 2.090 1.00 51.32 C ATOM 646 C THR A 40 -1.677 1.553 0.675 1.00 15.50 C ATOM 647 O THR A 40 -2.727 1.940 0.163 1.00 11.24 O ATOM 648 CB THR A 40 -2.196 1.271 3.108 1.00 31.40 C ATOM 649 OG1 THR A 40 -1.805 1.608 4.448 1.00 5.21 O ATOM 650 CG2 THR A 40 -2.150 -0.245 2.927 1.00 31.10 C ATOM 0 H THR A 40 -2.299 3.821 2.306 1.00 72.13 H new ATOM 0 HA THR A 40 -0.239 1.712 2.260 1.00 51.32 H new ATOM 0 HB THR A 40 -3.218 1.605 2.929 1.00 31.40 H new ATOM 0 HG1 THR A 40 -2.392 1.149 5.085 1.00 5.21 H new ATOM 0 HG21 THR A 40 -2.805 -0.719 3.658 1.00 31.10 H new ATOM 0 HG22 THR A 40 -2.483 -0.502 1.921 1.00 31.10 H new ATOM 0 HG23 THR A 40 -1.129 -0.598 3.073 1.00 31.10 H new ATOM 658 N GLY A 41 -0.834 0.729 0.057 1.00 75.35 N ATOM 659 CA GLY A 41 -1.126 0.196 -1.271 1.00 73.13 C ATOM 660 C GLY A 41 -1.282 -1.321 -1.278 1.00 33.31 C ATOM 661 O GLY A 41 -0.545 -2.031 -0.592 1.00 22.43 O ATOM 0 H GLY A 41 0.053 0.417 0.453 1.00 75.35 H new ATOM 0 HA2 GLY A 41 -2.041 0.652 -1.647 1.00 73.13 H new ATOM 0 HA3 GLY A 41 -0.325 0.477 -1.955 1.00 73.13 H new ATOM 665 N PHE A 42 -2.240 -1.821 -2.055 1.00 21.31 N ATOM 666 CA PHE A 42 -2.503 -3.263 -2.141 1.00 74.32 C ATOM 667 C PHE A 42 -2.559 -3.742 -3.600 1.00 61.33 C ATOM 668 O PHE A 42 -3.090 -3.051 -4.472 1.00 62.44 O ATOM 669 CB PHE A 42 -3.805 -3.614 -1.392 1.00 54.24 C ATOM 670 CG PHE A 42 -4.829 -2.504 -1.394 1.00 41.14 C ATOM 671 CD1 PHE A 42 -5.723 -2.355 -2.443 1.00 34.44 C ATOM 672 CD2 PHE A 42 -4.888 -1.601 -0.336 1.00 62.05 C ATOM 673 CE1 PHE A 42 -6.652 -1.330 -2.441 1.00 35.42 C ATOM 674 CE2 PHE A 42 -5.814 -0.579 -0.330 1.00 53.25 C ATOM 675 CZ PHE A 42 -6.698 -0.443 -1.383 1.00 71.22 C ATOM 0 H PHE A 42 -2.852 -1.249 -2.638 1.00 21.31 H new ATOM 0 HA PHE A 42 -1.675 -3.786 -1.662 1.00 74.32 H new ATOM 0 HB2 PHE A 42 -4.245 -4.502 -1.845 1.00 54.24 H new ATOM 0 HB3 PHE A 42 -3.562 -3.869 -0.361 1.00 54.24 H new ATOM 0 HD1 PHE A 42 -5.694 -3.047 -3.271 1.00 34.44 H new ATOM 0 HD2 PHE A 42 -4.200 -1.702 0.490 1.00 62.05 H new ATOM 0 HE1 PHE A 42 -7.341 -1.223 -3.266 1.00 35.42 H new ATOM 0 HE2 PHE A 42 -5.848 0.114 0.497 1.00 53.25 H new ATOM 0 HZ PHE A 42 -7.424 0.356 -1.379 1.00 71.22 H new ATOM 685 N ASP A 43 -1.996 -4.924 -3.854 1.00 54.03 N ATOM 686 CA ASP A 43 -1.926 -5.476 -5.210 1.00 31.52 C ATOM 687 C ASP A 43 -1.900 -7.019 -5.195 1.00 50.43 C ATOM 688 O ASP A 43 -1.672 -7.641 -4.152 1.00 5.43 O ATOM 689 CB ASP A 43 -0.683 -4.919 -5.925 1.00 64.05 C ATOM 690 CG ASP A 43 -0.503 -5.476 -7.327 1.00 75.24 C ATOM 691 OD1 ASP A 43 -1.434 -5.339 -8.148 1.00 2.53 O ATOM 692 OD2 ASP A 43 0.568 -6.053 -7.611 1.00 15.41 O ATOM 0 H ASP A 43 -1.581 -5.520 -3.138 1.00 54.03 H new ATOM 0 HA ASP A 43 -2.822 -5.175 -5.752 1.00 31.52 H new ATOM 0 HB2 ASP A 43 -0.758 -3.833 -5.979 1.00 64.05 H new ATOM 0 HB3 ASP A 43 0.203 -5.148 -5.333 1.00 64.05 H new ATOM 697 N LYS A 44 -2.143 -7.613 -6.368 1.00 1.21 N ATOM 698 CA LYS A 44 -2.140 -9.072 -6.563 1.00 41.25 C ATOM 699 C LYS A 44 -3.051 -9.814 -5.561 1.00 13.34 C ATOM 700 O LYS A 44 -4.216 -10.087 -5.852 1.00 33.14 O ATOM 701 CB LYS A 44 -0.707 -9.629 -6.492 1.00 31.30 C ATOM 702 CG LYS A 44 -0.631 -11.135 -6.737 1.00 24.13 C ATOM 703 CD LYS A 44 0.776 -11.682 -6.522 1.00 62.32 C ATOM 704 CE LYS A 44 0.806 -13.200 -6.639 1.00 45.24 C ATOM 705 NZ LYS A 44 2.145 -13.754 -6.312 1.00 34.55 N ATOM 0 H LYS A 44 -2.350 -7.091 -7.220 1.00 1.21 H new ATOM 0 HA LYS A 44 -2.548 -9.251 -7.558 1.00 41.25 H new ATOM 0 HB2 LYS A 44 -0.089 -9.116 -7.229 1.00 31.30 H new ATOM 0 HB3 LYS A 44 -0.286 -9.406 -5.512 1.00 31.30 H new ATOM 0 HG2 LYS A 44 -1.324 -11.646 -6.068 1.00 24.13 H new ATOM 0 HG3 LYS A 44 -0.952 -11.353 -7.756 1.00 24.13 H new ATOM 0 HD2 LYS A 44 1.454 -11.246 -7.256 1.00 62.32 H new ATOM 0 HD3 LYS A 44 1.137 -11.384 -5.538 1.00 62.32 H new ATOM 0 HE2 LYS A 44 0.061 -13.631 -5.969 1.00 45.24 H new ATOM 0 HE3 LYS A 44 0.530 -13.492 -7.652 1.00 45.24 H new ATOM 0 HZ1 LYS A 44 2.124 -14.790 -6.403 1.00 34.55 H new ATOM 0 HZ2 LYS A 44 2.852 -13.363 -6.967 1.00 34.55 H new ATOM 0 HZ3 LYS A 44 2.398 -13.498 -5.336 1.00 34.55 H new ATOM 719 N ASP A 45 -2.513 -10.135 -4.382 1.00 32.41 N ATOM 720 CA ASP A 45 -3.257 -10.890 -3.368 1.00 21.30 C ATOM 721 C ASP A 45 -4.126 -9.968 -2.494 1.00 23.00 C ATOM 722 O ASP A 45 -4.886 -10.433 -1.644 1.00 61.44 O ATOM 723 CB ASP A 45 -2.287 -11.671 -2.476 1.00 14.11 C ATOM 724 CG ASP A 45 -1.343 -12.560 -3.269 1.00 10.10 C ATOM 725 OD1 ASP A 45 -1.795 -13.599 -3.798 1.00 2.12 O ATOM 726 OD2 ASP A 45 -0.144 -12.232 -3.355 1.00 35.22 O ATOM 0 H ASP A 45 -1.564 -9.884 -4.105 1.00 32.41 H new ATOM 0 HA ASP A 45 -3.916 -11.581 -3.893 1.00 21.30 H new ATOM 0 HB2 ASP A 45 -1.703 -10.969 -1.880 1.00 14.11 H new ATOM 0 HB3 ASP A 45 -2.856 -12.285 -1.778 1.00 14.11 H new ATOM 731 N GLY A 46 -3.998 -8.660 -2.705 1.00 24.14 N ATOM 732 CA GLY A 46 -4.718 -7.689 -1.888 1.00 50.45 C ATOM 733 C GLY A 46 -4.032 -7.419 -0.552 1.00 53.11 C ATOM 734 O GLY A 46 -4.652 -6.913 0.388 1.00 52.14 O ATOM 0 H GLY A 46 -3.407 -8.251 -3.429 1.00 24.14 H new ATOM 0 HA2 GLY A 46 -4.810 -6.754 -2.440 1.00 50.45 H new ATOM 0 HA3 GLY A 46 -5.729 -8.053 -1.706 1.00 50.45 H new ATOM 738 N LYS A 47 -2.747 -7.758 -0.473 1.00 23.54 N ATOM 739 CA LYS A 47 -1.956 -7.544 0.743 1.00 45.23 C ATOM 740 C LYS A 47 -1.661 -6.051 0.954 1.00 21.33 C ATOM 741 O LYS A 47 -1.462 -5.310 -0.006 1.00 14.44 O ATOM 742 CB LYS A 47 -0.645 -8.338 0.664 1.00 71.12 C ATOM 743 CG LYS A 47 -0.850 -9.843 0.529 1.00 54.13 C ATOM 744 CD LYS A 47 0.475 -10.600 0.458 1.00 63.31 C ATOM 745 CE LYS A 47 0.259 -12.106 0.364 1.00 53.32 C ATOM 746 NZ LYS A 47 -0.492 -12.635 1.533 1.00 75.51 N ATOM 0 H LYS A 47 -2.227 -8.184 -1.240 1.00 23.54 H new ATOM 0 HA LYS A 47 -2.537 -7.897 1.595 1.00 45.23 H new ATOM 0 HB2 LYS A 47 -0.065 -7.981 -0.187 1.00 71.12 H new ATOM 0 HB3 LYS A 47 -0.055 -8.139 1.559 1.00 71.12 H new ATOM 0 HG2 LYS A 47 -1.430 -10.207 1.377 1.00 54.13 H new ATOM 0 HG3 LYS A 47 -1.434 -10.050 -0.368 1.00 54.13 H new ATOM 0 HD2 LYS A 47 1.043 -10.259 -0.408 1.00 63.31 H new ATOM 0 HD3 LYS A 47 1.072 -10.372 1.341 1.00 63.31 H new ATOM 0 HE2 LYS A 47 -0.285 -12.338 -0.552 1.00 53.32 H new ATOM 0 HE3 LYS A 47 1.225 -12.607 0.296 1.00 53.32 H new ATOM 0 HZ1 LYS A 47 -0.400 -13.670 1.565 1.00 75.51 H new ATOM 0 HZ2 LYS A 47 -0.106 -12.226 2.408 1.00 75.51 H new ATOM 0 HZ3 LYS A 47 -1.496 -12.379 1.445 1.00 75.51 H new ATOM 760 N GLU A 48 -1.608 -5.624 2.214 1.00 12.12 N ATOM 761 CA GLU A 48 -1.470 -4.203 2.544 1.00 25.15 C ATOM 762 C GLU A 48 -0.008 -3.807 2.806 1.00 25.12 C ATOM 763 O GLU A 48 0.570 -4.143 3.842 1.00 11.24 O ATOM 764 CB GLU A 48 -2.322 -3.860 3.775 1.00 74.44 C ATOM 765 CG GLU A 48 -3.808 -4.162 3.603 1.00 34.43 C ATOM 766 CD GLU A 48 -4.617 -3.802 4.838 1.00 10.12 C ATOM 767 OE1 GLU A 48 -5.055 -2.638 4.951 1.00 54.23 O ATOM 768 OE2 GLU A 48 -4.813 -4.678 5.708 1.00 72.03 O ATOM 0 H GLU A 48 -1.658 -6.240 3.025 1.00 12.12 H new ATOM 0 HA GLU A 48 -1.820 -3.638 1.680 1.00 25.15 H new ATOM 0 HB2 GLU A 48 -1.945 -4.418 4.632 1.00 74.44 H new ATOM 0 HB3 GLU A 48 -2.201 -2.801 4.005 1.00 74.44 H new ATOM 0 HG2 GLU A 48 -4.192 -3.609 2.746 1.00 34.43 H new ATOM 0 HG3 GLU A 48 -3.938 -5.222 3.383 1.00 34.43 H new ATOM 775 N LYS A 49 0.581 -3.094 1.852 1.00 34.44 N ATOM 776 CA LYS A 49 1.929 -2.541 2.001 1.00 13.41 C ATOM 777 C LYS A 49 1.853 -1.055 2.379 1.00 24.32 C ATOM 778 O LYS A 49 1.054 -0.308 1.817 1.00 23.21 O ATOM 779 CB LYS A 49 2.714 -2.704 0.688 1.00 42.31 C ATOM 780 CG LYS A 49 4.133 -2.130 0.722 1.00 11.13 C ATOM 781 CD LYS A 49 5.052 -2.924 1.649 1.00 4.02 C ATOM 782 CE LYS A 49 6.469 -2.354 1.669 1.00 44.32 C ATOM 783 NZ LYS A 49 6.545 -1.039 2.365 1.00 34.12 N ATOM 0 H LYS A 49 0.142 -2.882 0.956 1.00 34.44 H new ATOM 0 HA LYS A 49 2.443 -3.083 2.794 1.00 13.41 H new ATOM 0 HB2 LYS A 49 2.770 -3.764 0.442 1.00 42.31 H new ATOM 0 HB3 LYS A 49 2.159 -2.220 -0.115 1.00 42.31 H new ATOM 0 HG2 LYS A 49 4.548 -2.130 -0.286 1.00 11.13 H new ATOM 0 HG3 LYS A 49 4.096 -1.092 1.051 1.00 11.13 H new ATOM 0 HD2 LYS A 49 4.643 -2.917 2.659 1.00 4.02 H new ATOM 0 HD3 LYS A 49 5.083 -3.964 1.325 1.00 4.02 H new ATOM 0 HE2 LYS A 49 7.135 -3.062 2.163 1.00 44.32 H new ATOM 0 HE3 LYS A 49 6.826 -2.241 0.645 1.00 44.32 H new ATOM 0 HZ1 LYS A 49 7.493 -0.632 2.235 1.00 34.12 H new ATOM 0 HZ2 LYS A 49 5.833 -0.394 1.967 1.00 34.12 H new ATOM 0 HZ3 LYS A 49 6.362 -1.172 3.380 1.00 34.12 H new ATOM 797 N GLU A 50 2.673 -0.629 3.332 1.00 75.15 N ATOM 798 CA GLU A 50 2.746 0.791 3.705 1.00 73.03 C ATOM 799 C GLU A 50 3.856 1.513 2.921 1.00 34.23 C ATOM 800 O GLU A 50 4.980 1.020 2.813 1.00 60.34 O ATOM 801 CB GLU A 50 2.944 0.961 5.230 1.00 33.54 C ATOM 802 CG GLU A 50 3.600 -0.226 5.944 1.00 12.52 C ATOM 803 CD GLU A 50 5.011 -0.533 5.462 1.00 35.02 C ATOM 804 OE1 GLU A 50 5.945 0.199 5.841 1.00 63.01 O ATOM 805 OE2 GLU A 50 5.190 -1.522 4.717 1.00 72.31 O ATOM 0 H GLU A 50 3.297 -1.238 3.862 1.00 75.15 H new ATOM 0 HA GLU A 50 1.794 1.252 3.440 1.00 73.03 H new ATOM 0 HB2 GLU A 50 3.552 1.849 5.404 1.00 33.54 H new ATOM 0 HB3 GLU A 50 1.972 1.146 5.687 1.00 33.54 H new ATOM 0 HG2 GLU A 50 3.629 -0.023 7.015 1.00 12.52 H new ATOM 0 HG3 GLU A 50 2.978 -1.110 5.804 1.00 12.52 H new ATOM 812 N LEU A 51 3.522 2.669 2.344 1.00 4.12 N ATOM 813 CA LEU A 51 4.481 3.450 1.548 1.00 62.50 C ATOM 814 C LEU A 51 4.416 4.944 1.912 1.00 13.32 C ATOM 815 O LEU A 51 3.367 5.456 2.305 1.00 24.43 O ATOM 816 CB LEU A 51 4.214 3.278 0.036 1.00 43.22 C ATOM 817 CG LEU A 51 4.094 1.822 -0.472 1.00 32.14 C ATOM 818 CD1 LEU A 51 2.675 1.285 -0.282 1.00 71.12 C ATOM 819 CD2 LEU A 51 4.511 1.712 -1.934 1.00 44.21 C ATOM 0 H LEU A 51 2.595 3.088 2.411 1.00 4.12 H new ATOM 0 HA LEU A 51 5.477 3.073 1.779 1.00 62.50 H new ATOM 0 HB2 LEU A 51 3.293 3.805 -0.212 1.00 43.22 H new ATOM 0 HB3 LEU A 51 5.019 3.768 -0.512 1.00 43.22 H new ATOM 0 HG LEU A 51 4.773 1.212 0.124 1.00 32.14 H new ATOM 0 HD11 LEU A 51 2.622 0.260 -0.648 1.00 71.12 H new ATOM 0 HD12 LEU A 51 2.417 1.306 0.777 1.00 71.12 H new ATOM 0 HD13 LEU A 51 1.973 1.906 -0.839 1.00 71.12 H new ATOM 0 HD21 LEU A 51 4.416 0.677 -2.263 1.00 44.21 H new ATOM 0 HD22 LEU A 51 3.869 2.347 -2.544 1.00 44.21 H new ATOM 0 HD23 LEU A 51 5.547 2.033 -2.042 1.00 44.21 H new ATOM 831 N GLU A 52 5.541 5.644 1.771 1.00 60.05 N ATOM 832 CA GLU A 52 5.600 7.087 2.043 1.00 43.45 C ATOM 833 C GLU A 52 6.434 7.818 0.980 1.00 22.24 C ATOM 834 O GLU A 52 7.517 7.364 0.605 1.00 60.42 O ATOM 835 CB GLU A 52 6.184 7.347 3.445 1.00 53.41 C ATOM 836 CG GLU A 52 7.608 6.833 3.634 1.00 22.24 C ATOM 837 CD GLU A 52 8.129 7.030 5.051 1.00 4.21 C ATOM 838 OE1 GLU A 52 8.712 8.098 5.334 1.00 62.42 O ATOM 839 OE2 GLU A 52 7.958 6.118 5.884 1.00 32.40 O ATOM 0 H GLU A 52 6.427 5.238 1.470 1.00 60.05 H new ATOM 0 HA GLU A 52 4.583 7.476 2.005 1.00 43.45 H new ATOM 0 HB2 GLU A 52 6.168 8.419 3.640 1.00 53.41 H new ATOM 0 HB3 GLU A 52 5.539 6.878 4.188 1.00 53.41 H new ATOM 0 HG2 GLU A 52 7.642 5.772 3.385 1.00 22.24 H new ATOM 0 HG3 GLU A 52 8.269 7.346 2.935 1.00 22.24 H new ATOM 846 N PHE A 53 5.924 8.945 0.488 1.00 12.24 N ATOM 847 CA PHE A 53 6.638 9.741 -0.518 1.00 41.10 C ATOM 848 C PHE A 53 6.524 11.247 -0.232 1.00 2.34 C ATOM 849 O PHE A 53 5.487 11.729 0.226 1.00 32.30 O ATOM 850 CB PHE A 53 6.117 9.420 -1.933 1.00 5.44 C ATOM 851 CG PHE A 53 4.650 9.726 -2.154 1.00 72.15 C ATOM 852 CD1 PHE A 53 3.675 8.768 -1.897 1.00 2.44 C ATOM 853 CD2 PHE A 53 4.248 10.967 -2.629 1.00 61.52 C ATOM 854 CE1 PHE A 53 2.338 9.044 -2.107 1.00 75.44 C ATOM 855 CE2 PHE A 53 2.913 11.246 -2.843 1.00 12.44 C ATOM 856 CZ PHE A 53 1.955 10.283 -2.581 1.00 1.51 C ATOM 0 H PHE A 53 5.021 9.330 0.766 1.00 12.24 H new ATOM 0 HA PHE A 53 7.693 9.472 -0.463 1.00 41.10 H new ATOM 0 HB2 PHE A 53 6.705 9.984 -2.658 1.00 5.44 H new ATOM 0 HB3 PHE A 53 6.288 8.363 -2.137 1.00 5.44 H new ATOM 0 HD1 PHE A 53 3.967 7.796 -1.528 1.00 2.44 H new ATOM 0 HD2 PHE A 53 4.990 11.725 -2.834 1.00 61.52 H new ATOM 0 HE1 PHE A 53 1.592 8.291 -1.900 1.00 75.44 H new ATOM 0 HE2 PHE A 53 2.617 12.216 -3.215 1.00 12.44 H new ATOM 0 HZ PHE A 53 0.910 10.500 -2.747 1.00 1.51 H new ATOM 866 N THR A 54 7.602 11.984 -0.492 1.00 44.53 N ATOM 867 CA THR A 54 7.601 13.447 -0.339 1.00 74.40 C ATOM 868 C THR A 54 7.408 14.140 -1.696 1.00 63.12 C ATOM 869 O THR A 54 8.297 14.123 -2.552 1.00 54.42 O ATOM 870 CB THR A 54 8.908 13.962 0.322 1.00 32.11 C ATOM 871 OG1 THR A 54 10.057 13.486 -0.398 1.00 43.05 O ATOM 872 CG2 THR A 54 8.999 13.510 1.777 1.00 42.24 C ATOM 0 H THR A 54 8.490 11.597 -0.810 1.00 44.53 H new ATOM 0 HA THR A 54 6.765 13.694 0.316 1.00 74.40 H new ATOM 0 HB THR A 54 8.888 15.051 0.292 1.00 32.11 H new ATOM 0 HG1 THR A 54 9.868 13.497 -1.360 1.00 43.05 H new ATOM 0 HG21 THR A 54 9.924 13.884 2.217 1.00 42.24 H new ATOM 0 HG22 THR A 54 8.148 13.902 2.334 1.00 42.24 H new ATOM 0 HG23 THR A 54 8.991 12.421 1.821 1.00 42.24 H new ATOM 880 N ALA A 55 6.239 14.743 -1.889 1.00 14.20 N ATOM 881 CA ALA A 55 5.895 15.381 -3.163 1.00 4.34 C ATOM 882 C ALA A 55 6.142 16.894 -3.135 1.00 2.10 C ATOM 883 O ALA A 55 6.044 17.539 -2.092 1.00 33.41 O ATOM 884 CB ALA A 55 4.442 15.093 -3.517 1.00 3.51 C ATOM 0 H ALA A 55 5.509 14.805 -1.179 1.00 14.20 H new ATOM 0 HA ALA A 55 6.547 14.958 -3.928 1.00 4.34 H new ATOM 0 HB1 ALA A 55 4.197 15.572 -4.465 1.00 3.51 H new ATOM 0 HB2 ALA A 55 4.296 14.017 -3.605 1.00 3.51 H new ATOM 0 HB3 ALA A 55 3.792 15.485 -2.734 1.00 3.51 H new ATOM 890 N GLN A 56 6.457 17.446 -4.304 1.00 20.11 N ATOM 891 CA GLN A 56 6.708 18.885 -4.464 1.00 50.41 C ATOM 892 C GLN A 56 5.400 19.704 -4.414 1.00 3.42 C ATOM 893 O GLN A 56 5.414 20.916 -4.179 1.00 72.52 O ATOM 894 CB GLN A 56 7.419 19.120 -5.806 1.00 33.31 C ATOM 895 CG GLN A 56 7.823 20.568 -6.069 1.00 15.41 C ATOM 896 CD GLN A 56 8.341 20.771 -7.482 1.00 63.51 C ATOM 897 OE1 GLN A 56 7.580 21.078 -8.396 1.00 31.52 O ATOM 898 NE2 GLN A 56 9.630 20.598 -7.677 1.00 42.25 N ATOM 0 H GLN A 56 6.547 16.913 -5.169 1.00 20.11 H new ATOM 0 HA GLN A 56 7.335 19.219 -3.637 1.00 50.41 H new ATOM 0 HB2 GLN A 56 8.312 18.496 -5.843 1.00 33.31 H new ATOM 0 HB3 GLN A 56 6.764 18.788 -6.612 1.00 33.31 H new ATOM 0 HG2 GLN A 56 6.965 21.219 -5.901 1.00 15.41 H new ATOM 0 HG3 GLN A 56 8.592 20.864 -5.356 1.00 15.41 H new ATOM 0 HE21 GLN A 56 10.234 20.343 -6.896 1.00 42.25 H new ATOM 0 HE22 GLN A 56 10.025 20.719 -8.609 1.00 42.25 H new ATOM 907 N LYS A 57 4.268 19.034 -4.629 1.00 45.11 N ATOM 908 CA LYS A 57 2.965 19.710 -4.722 1.00 11.53 C ATOM 909 C LYS A 57 1.919 19.055 -3.808 1.00 4.31 C ATOM 910 O LYS A 57 2.073 17.905 -3.391 1.00 21.41 O ATOM 911 CB LYS A 57 2.455 19.668 -6.171 1.00 75.13 C ATOM 912 CG LYS A 57 3.407 20.294 -7.183 1.00 21.31 C ATOM 913 CD LYS A 57 2.917 20.098 -8.617 1.00 4.51 C ATOM 914 CE LYS A 57 1.567 20.771 -8.863 1.00 33.13 C ATOM 915 NZ LYS A 57 1.623 22.242 -8.646 1.00 30.54 N ATOM 0 H LYS A 57 4.223 18.021 -4.743 1.00 45.11 H new ATOM 0 HA LYS A 57 3.109 20.742 -4.401 1.00 11.53 H new ATOM 0 HB2 LYS A 57 2.274 18.630 -6.452 1.00 75.13 H new ATOM 0 HB3 LYS A 57 1.496 20.184 -6.223 1.00 75.13 H new ATOM 0 HG2 LYS A 57 3.509 21.359 -6.976 1.00 21.31 H new ATOM 0 HG3 LYS A 57 4.397 19.852 -7.073 1.00 21.31 H new ATOM 0 HD2 LYS A 57 3.655 20.503 -9.310 1.00 4.51 H new ATOM 0 HD3 LYS A 57 2.833 19.032 -8.828 1.00 4.51 H new ATOM 0 HE2 LYS A 57 1.243 20.568 -9.884 1.00 33.13 H new ATOM 0 HE3 LYS A 57 0.820 20.336 -8.199 1.00 33.13 H new ATOM 0 HZ1 LYS A 57 0.741 22.677 -8.985 1.00 30.54 H new ATOM 0 HZ2 LYS A 57 1.739 22.439 -7.631 1.00 30.54 H new ATOM 0 HZ3 LYS A 57 2.428 22.640 -9.170 1.00 30.54 H new ATOM 929 N ASN A 58 0.854 19.794 -3.503 1.00 24.22 N ATOM 930 CA ASN A 58 -0.301 19.226 -2.803 1.00 23.34 C ATOM 931 C ASN A 58 -1.250 18.533 -3.789 1.00 21.34 C ATOM 932 O ASN A 58 -2.017 19.187 -4.495 1.00 15.45 O ATOM 933 CB ASN A 58 -1.051 20.309 -2.020 1.00 35.15 C ATOM 934 CG ASN A 58 -0.343 20.711 -0.739 1.00 35.03 C ATOM 935 OD1 ASN A 58 -0.404 21.859 -0.320 1.00 13.20 O ATOM 936 ND2 ASN A 58 0.308 19.767 -0.087 1.00 73.22 N ATOM 0 H ASN A 58 0.765 20.785 -3.728 1.00 24.22 H new ATOM 0 HA ASN A 58 0.069 18.482 -2.097 1.00 23.34 H new ATOM 0 HB2 ASN A 58 -1.173 21.188 -2.653 1.00 35.15 H new ATOM 0 HB3 ASN A 58 -2.051 19.949 -1.778 1.00 35.15 H new ATOM 0 HD21 ASN A 58 0.778 19.985 0.792 1.00 73.22 H new ATOM 0 HD22 ASN A 58 0.341 18.819 -0.461 1.00 73.22 H new ATOM 943 N LEU A 59 -1.178 17.205 -3.838 1.00 64.13 N ATOM 944 CA LEU A 59 -2.028 16.407 -4.734 1.00 1.25 C ATOM 945 C LEU A 59 -3.500 16.396 -4.274 1.00 34.42 C ATOM 946 O LEU A 59 -3.866 17.089 -3.319 1.00 54.41 O ATOM 947 CB LEU A 59 -1.462 14.977 -4.853 1.00 12.14 C ATOM 948 CG LEU A 59 -1.032 14.307 -3.530 1.00 12.41 C ATOM 949 CD1 LEU A 59 -2.234 13.966 -2.655 1.00 30.33 C ATOM 950 CD2 LEU A 59 -0.195 13.062 -3.806 1.00 53.15 C ATOM 0 H LEU A 59 -0.539 16.652 -3.267 1.00 64.13 H new ATOM 0 HA LEU A 59 -2.017 16.872 -5.720 1.00 1.25 H new ATOM 0 HB2 LEU A 59 -2.215 14.348 -5.328 1.00 12.14 H new ATOM 0 HB3 LEU A 59 -0.601 15.003 -5.521 1.00 12.14 H new ATOM 0 HG LEU A 59 -0.420 15.023 -2.981 1.00 12.41 H new ATOM 0 HD11 LEU A 59 -1.891 13.496 -1.733 1.00 30.33 H new ATOM 0 HD12 LEU A 59 -2.781 14.878 -2.416 1.00 30.33 H new ATOM 0 HD13 LEU A 59 -2.890 13.280 -3.190 1.00 30.33 H new ATOM 0 HD21 LEU A 59 0.098 12.604 -2.861 1.00 53.15 H new ATOM 0 HD22 LEU A 59 -0.782 12.351 -4.387 1.00 53.15 H new ATOM 0 HD23 LEU A 59 0.697 13.340 -4.367 1.00 53.15 H new ATOM 962 N ARG A 60 -4.340 15.620 -4.955 1.00 52.20 N ATOM 963 CA ARG A 60 -5.775 15.580 -4.649 1.00 24.33 C ATOM 964 C ARG A 60 -6.177 14.347 -3.827 1.00 12.11 C ATOM 965 O ARG A 60 -5.641 13.254 -4.011 1.00 63.22 O ATOM 966 CB ARG A 60 -6.600 15.589 -5.943 1.00 52.51 C ATOM 967 CG ARG A 60 -6.511 16.883 -6.738 1.00 55.41 C ATOM 968 CD ARG A 60 -7.448 16.852 -7.939 1.00 63.21 C ATOM 969 NE ARG A 60 -7.453 18.114 -8.672 1.00 35.14 N ATOM 970 CZ ARG A 60 -8.448 18.527 -9.408 1.00 4.04 C ATOM 971 NH1 ARG A 60 -9.514 17.804 -9.542 1.00 22.23 N ATOM 972 NH2 ARG A 60 -8.370 19.661 -10.021 1.00 61.24 N ATOM 0 H ARG A 60 -4.056 15.010 -5.722 1.00 52.20 H new ATOM 0 HA ARG A 60 -5.981 16.469 -4.053 1.00 24.33 H new ATOM 0 HB2 ARG A 60 -6.270 14.765 -6.576 1.00 52.51 H new ATOM 0 HB3 ARG A 60 -7.645 15.401 -5.695 1.00 52.51 H new ATOM 0 HG2 ARG A 60 -6.765 17.727 -6.096 1.00 55.41 H new ATOM 0 HG3 ARG A 60 -5.486 17.037 -7.076 1.00 55.41 H new ATOM 0 HD2 ARG A 60 -7.149 16.046 -8.610 1.00 63.21 H new ATOM 0 HD3 ARG A 60 -8.460 16.627 -7.602 1.00 63.21 H new ATOM 0 HE ARG A 60 -6.628 18.710 -8.605 1.00 35.14 H new ATOM 0 HH11 ARG A 60 -9.581 16.902 -9.070 1.00 22.23 H new ATOM 0 HH12 ARG A 60 -10.286 18.136 -10.120 1.00 22.23 H new ATOM 0 HH21 ARG A 60 -7.531 20.233 -9.930 1.00 61.24 H new ATOM 0 HH22 ARG A 60 -9.148 19.984 -10.596 1.00 61.24 H new ATOM 986 N LYS A 61 -7.135 14.538 -2.921 1.00 15.45 N ATOM 987 CA LYS A 61 -7.831 13.416 -2.290 1.00 71.33 C ATOM 988 C LYS A 61 -9.080 13.060 -3.117 1.00 20.45 C ATOM 989 O LYS A 61 -9.350 13.706 -4.133 1.00 75.25 O ATOM 990 CB LYS A 61 -8.190 13.732 -0.828 1.00 13.02 C ATOM 991 CG LYS A 61 -8.977 15.023 -0.616 1.00 22.22 C ATOM 992 CD LYS A 61 -9.309 15.230 0.865 1.00 51.22 C ATOM 993 CE LYS A 61 -9.994 16.567 1.125 1.00 73.21 C ATOM 994 NZ LYS A 61 -9.104 17.715 0.817 1.00 10.20 N ATOM 0 H LYS A 61 -7.447 15.457 -2.607 1.00 15.45 H new ATOM 0 HA LYS A 61 -7.167 12.552 -2.269 1.00 71.33 H new ATOM 0 HB2 LYS A 61 -8.770 12.902 -0.426 1.00 13.02 H new ATOM 0 HB3 LYS A 61 -7.269 13.788 -0.248 1.00 13.02 H new ATOM 0 HG2 LYS A 61 -8.398 15.870 -0.984 1.00 22.22 H new ATOM 0 HG3 LYS A 61 -9.898 14.990 -1.197 1.00 22.22 H new ATOM 0 HD2 LYS A 61 -9.955 14.421 1.206 1.00 51.22 H new ATOM 0 HD3 LYS A 61 -8.392 15.174 1.451 1.00 51.22 H new ATOM 0 HE2 LYS A 61 -10.898 16.636 0.519 1.00 73.21 H new ATOM 0 HE3 LYS A 61 -10.305 16.619 2.168 1.00 73.21 H new ATOM 0 HZ1 LYS A 61 -9.514 18.587 1.208 1.00 10.20 H new ATOM 0 HZ2 LYS A 61 -8.168 17.552 1.241 1.00 10.20 H new ATOM 0 HZ3 LYS A 61 -9.005 17.811 -0.214 1.00 10.20 H new ATOM 1008 N GLU A 62 -9.835 12.041 -2.690 1.00 75.03 N ATOM 1009 CA GLU A 62 -10.931 11.479 -3.511 1.00 22.00 C ATOM 1010 C GLU A 62 -10.366 10.810 -4.777 1.00 21.22 C ATOM 1011 O GLU A 62 -11.084 10.567 -5.753 1.00 24.22 O ATOM 1012 CB GLU A 62 -11.955 12.560 -3.910 1.00 53.02 C ATOM 1013 CG GLU A 62 -12.707 13.187 -2.741 1.00 14.14 C ATOM 1014 CD GLU A 62 -13.575 12.190 -1.990 1.00 73.13 C ATOM 1015 OE1 GLU A 62 -14.457 11.569 -2.620 1.00 13.44 O ATOM 1016 OE2 GLU A 62 -13.399 12.040 -0.761 1.00 1.32 O ATOM 0 H GLU A 62 -9.713 11.586 -1.785 1.00 75.03 H new ATOM 0 HA GLU A 62 -11.443 10.733 -2.903 1.00 22.00 H new ATOM 0 HB2 GLU A 62 -11.437 13.348 -4.456 1.00 53.02 H new ATOM 0 HB3 GLU A 62 -12.679 12.120 -4.596 1.00 53.02 H new ATOM 0 HG2 GLU A 62 -11.989 13.629 -2.050 1.00 14.14 H new ATOM 0 HG3 GLU A 62 -13.333 13.998 -3.112 1.00 14.14 H new ATOM 1023 N ALA A 63 -9.071 10.509 -4.744 1.00 44.40 N ATOM 1024 CA ALA A 63 -8.369 9.926 -5.888 1.00 75.51 C ATOM 1025 C ALA A 63 -7.461 8.765 -5.462 1.00 75.41 C ATOM 1026 O ALA A 63 -7.278 8.504 -4.272 1.00 53.33 O ATOM 1027 CB ALA A 63 -7.553 11.001 -6.599 1.00 23.43 C ATOM 0 H ALA A 63 -8.479 10.661 -3.928 1.00 44.40 H new ATOM 0 HA ALA A 63 -9.116 9.526 -6.573 1.00 75.51 H new ATOM 0 HB1 ALA A 63 -7.033 10.560 -7.450 1.00 23.43 H new ATOM 0 HB2 ALA A 63 -8.218 11.790 -6.950 1.00 23.43 H new ATOM 0 HB3 ALA A 63 -6.824 11.422 -5.907 1.00 23.43 H new ATOM 1033 N PHE A 64 -6.898 8.075 -6.449 1.00 12.31 N ATOM 1034 CA PHE A 64 -5.988 6.950 -6.204 1.00 2.12 C ATOM 1035 C PHE A 64 -4.662 7.174 -6.941 1.00 64.41 C ATOM 1036 O PHE A 64 -4.624 7.847 -7.970 1.00 31.21 O ATOM 1037 CB PHE A 64 -6.629 5.632 -6.673 1.00 62.11 C ATOM 1038 CG PHE A 64 -7.910 5.276 -5.953 1.00 64.03 C ATOM 1039 CD1 PHE A 64 -9.118 5.855 -6.322 1.00 12.11 C ATOM 1040 CD2 PHE A 64 -7.906 4.354 -4.914 1.00 64.43 C ATOM 1041 CE1 PHE A 64 -10.291 5.526 -5.668 1.00 63.55 C ATOM 1042 CE2 PHE A 64 -9.078 4.023 -4.258 1.00 62.05 C ATOM 1043 CZ PHE A 64 -10.271 4.608 -4.636 1.00 52.24 C ATOM 0 H PHE A 64 -7.055 8.274 -7.437 1.00 12.31 H new ATOM 0 HA PHE A 64 -5.795 6.887 -5.133 1.00 2.12 H new ATOM 0 HB2 PHE A 64 -6.833 5.700 -7.742 1.00 62.11 H new ATOM 0 HB3 PHE A 64 -5.911 4.823 -6.536 1.00 62.11 H new ATOM 0 HD1 PHE A 64 -9.141 6.571 -7.130 1.00 12.11 H new ATOM 0 HD2 PHE A 64 -6.977 3.890 -4.615 1.00 64.43 H new ATOM 0 HE1 PHE A 64 -11.222 5.986 -5.964 1.00 63.55 H new ATOM 0 HE2 PHE A 64 -9.060 3.307 -3.450 1.00 62.05 H new ATOM 0 HZ PHE A 64 -11.187 4.348 -4.126 1.00 52.24 H new ATOM 1053 N LEU A 65 -3.568 6.623 -6.421 1.00 44.41 N ATOM 1054 CA LEU A 65 -2.264 6.765 -7.083 1.00 63.21 C ATOM 1055 C LEU A 65 -1.573 5.417 -7.296 1.00 41.44 C ATOM 1056 O LEU A 65 -1.671 4.514 -6.466 1.00 61.43 O ATOM 1057 CB LEU A 65 -1.312 7.681 -6.288 1.00 60.45 C ATOM 1058 CG LEU A 65 -1.842 9.083 -5.943 1.00 61.34 C ATOM 1059 CD1 LEU A 65 -2.612 9.059 -4.627 1.00 3.11 C ATOM 1060 CD2 LEU A 65 -0.699 10.097 -5.885 1.00 52.40 C ATOM 0 H LEU A 65 -3.552 6.081 -5.557 1.00 44.41 H new ATOM 0 HA LEU A 65 -2.477 7.215 -8.053 1.00 63.21 H new ATOM 0 HB2 LEU A 65 -1.050 7.176 -5.358 1.00 60.45 H new ATOM 0 HB3 LEU A 65 -0.391 7.795 -6.860 1.00 60.45 H new ATOM 0 HG LEU A 65 -2.527 9.391 -6.733 1.00 61.34 H new ATOM 0 HD11 LEU A 65 -2.978 10.061 -4.401 1.00 3.11 H new ATOM 0 HD12 LEU A 65 -3.456 8.374 -4.712 1.00 3.11 H new ATOM 0 HD13 LEU A 65 -1.953 8.725 -3.826 1.00 3.11 H new ATOM 0 HD21 LEU A 65 -1.098 11.081 -5.639 1.00 52.40 H new ATOM 0 HD22 LEU A 65 0.017 9.795 -5.121 1.00 52.40 H new ATOM 0 HD23 LEU A 65 -0.200 10.139 -6.853 1.00 52.40 H new ATOM 1072 N ARG A 66 -0.871 5.294 -8.420 1.00 32.02 N ATOM 1073 CA ARG A 66 0.039 4.169 -8.643 1.00 55.32 C ATOM 1074 C ARG A 66 1.411 4.488 -8.050 1.00 1.13 C ATOM 1075 O ARG A 66 2.213 5.194 -8.665 1.00 71.34 O ATOM 1076 CB ARG A 66 0.190 3.852 -10.140 1.00 0.40 C ATOM 1077 CG ARG A 66 -0.911 2.967 -10.711 1.00 64.35 C ATOM 1078 CD ARG A 66 -0.634 2.619 -12.171 1.00 22.43 C ATOM 1079 NE ARG A 66 -1.586 1.647 -12.700 1.00 32.50 N ATOM 1080 CZ ARG A 66 -2.102 1.702 -13.895 1.00 64.12 C ATOM 1081 NH1 ARG A 66 -1.768 2.648 -14.715 1.00 23.00 N ATOM 1082 NH2 ARG A 66 -2.946 0.799 -14.267 1.00 71.54 N ATOM 0 H ARG A 66 -0.914 5.959 -9.192 1.00 32.02 H new ATOM 0 HA ARG A 66 -0.386 3.294 -8.151 1.00 55.32 H new ATOM 0 HB2 ARG A 66 0.211 4.789 -10.697 1.00 0.40 H new ATOM 0 HB3 ARG A 66 1.151 3.364 -10.300 1.00 0.40 H new ATOM 0 HG2 ARG A 66 -0.987 2.052 -10.124 1.00 64.35 H new ATOM 0 HG3 ARG A 66 -1.871 3.478 -10.631 1.00 64.35 H new ATOM 0 HD2 ARG A 66 -0.674 3.527 -12.772 1.00 22.43 H new ATOM 0 HD3 ARG A 66 0.377 2.221 -12.262 1.00 22.43 H new ATOM 0 HE ARG A 66 -1.865 0.875 -12.095 1.00 32.50 H new ATOM 0 HH11 ARG A 66 -1.095 3.359 -14.427 1.00 23.00 H new ATOM 0 HH12 ARG A 66 -2.178 2.682 -15.648 1.00 23.00 H new ATOM 0 HH21 ARG A 66 -3.205 0.048 -13.627 1.00 71.54 H new ATOM 0 HH22 ARG A 66 -3.354 0.836 -15.201 1.00 71.54 H new ATOM 1096 N VAL A 67 1.666 4.002 -6.843 1.00 61.44 N ATOM 1097 CA VAL A 67 2.948 4.231 -6.184 1.00 41.42 C ATOM 1098 C VAL A 67 3.965 3.152 -6.560 1.00 1.34 C ATOM 1099 O VAL A 67 3.683 1.951 -6.503 1.00 33.52 O ATOM 1100 CB VAL A 67 2.797 4.312 -4.645 1.00 2.34 C ATOM 1101 CG1 VAL A 67 4.151 4.518 -3.972 1.00 2.42 C ATOM 1102 CG2 VAL A 67 1.833 5.433 -4.262 1.00 43.44 C ATOM 0 H VAL A 67 1.005 3.447 -6.300 1.00 61.44 H new ATOM 0 HA VAL A 67 3.318 5.194 -6.537 1.00 41.42 H new ATOM 0 HB VAL A 67 2.387 3.365 -4.295 1.00 2.34 H new ATOM 0 HG11 VAL A 67 4.016 4.571 -2.892 1.00 2.42 H new ATOM 0 HG12 VAL A 67 4.809 3.683 -4.215 1.00 2.42 H new ATOM 0 HG13 VAL A 67 4.597 5.447 -4.328 1.00 2.42 H new ATOM 0 HG21 VAL A 67 1.738 5.476 -3.177 1.00 43.44 H new ATOM 0 HG22 VAL A 67 2.216 6.384 -4.631 1.00 43.44 H new ATOM 0 HG23 VAL A 67 0.856 5.239 -4.704 1.00 43.44 H new ATOM 1112 N TYR A 68 5.147 3.610 -6.947 1.00 15.44 N ATOM 1113 CA TYR A 68 6.197 2.744 -7.467 1.00 64.05 C ATOM 1114 C TYR A 68 6.978 2.052 -6.337 1.00 61.34 C ATOM 1115 O TYR A 68 7.779 2.684 -5.642 1.00 31.34 O ATOM 1116 CB TYR A 68 7.140 3.584 -8.332 1.00 74.41 C ATOM 1117 CG TYR A 68 8.066 2.775 -9.211 1.00 14.13 C ATOM 1118 CD1 TYR A 68 9.288 2.317 -8.738 1.00 71.44 C ATOM 1119 CD2 TYR A 68 7.720 2.490 -10.524 1.00 51.40 C ATOM 1120 CE1 TYR A 68 10.139 1.590 -9.546 1.00 52.42 C ATOM 1121 CE2 TYR A 68 8.566 1.768 -11.343 1.00 30.14 C ATOM 1122 CZ TYR A 68 9.776 1.321 -10.851 1.00 63.45 C ATOM 1123 OH TYR A 68 10.630 0.608 -11.666 1.00 72.34 O ATOM 0 H TYR A 68 5.406 4.596 -6.909 1.00 15.44 H new ATOM 0 HA TYR A 68 5.739 1.956 -8.065 1.00 64.05 H new ATOM 0 HB2 TYR A 68 6.544 4.244 -8.963 1.00 74.41 H new ATOM 0 HB3 TYR A 68 7.740 4.221 -7.682 1.00 74.41 H new ATOM 0 HD1 TYR A 68 9.578 2.533 -7.720 1.00 71.44 H new ATOM 0 HD2 TYR A 68 6.774 2.838 -10.912 1.00 51.40 H new ATOM 0 HE1 TYR A 68 11.083 1.234 -9.160 1.00 52.42 H new ATOM 0 HE2 TYR A 68 8.282 1.554 -12.363 1.00 30.14 H new ATOM 0 HH TYR A 68 11.160 -0.011 -11.122 1.00 72.34 H new ATOM 1133 N HIS A 69 6.741 0.756 -6.162 1.00 3.24 N ATOM 1134 CA HIS A 69 7.441 -0.028 -5.142 1.00 63.51 C ATOM 1135 C HIS A 69 8.891 -0.312 -5.557 1.00 12.01 C ATOM 1136 O HIS A 69 9.147 -1.149 -6.423 1.00 54.31 O ATOM 1137 CB HIS A 69 6.701 -1.346 -4.883 1.00 51.24 C ATOM 1138 CG HIS A 69 7.377 -2.249 -3.886 1.00 41.14 C ATOM 1139 ND1 HIS A 69 7.433 -3.620 -4.021 1.00 23.33 N ATOM 1140 CD2 HIS A 69 8.011 -1.969 -2.720 1.00 35.32 C ATOM 1141 CE1 HIS A 69 8.067 -4.139 -2.989 1.00 52.14 C ATOM 1142 NE2 HIS A 69 8.431 -3.162 -2.186 1.00 75.53 N ATOM 0 H HIS A 69 6.069 0.222 -6.713 1.00 3.24 H new ATOM 0 HA HIS A 69 7.459 0.558 -4.223 1.00 63.51 H new ATOM 0 HB2 HIS A 69 5.695 -1.121 -4.529 1.00 51.24 H new ATOM 0 HB3 HIS A 69 6.594 -1.881 -5.827 1.00 51.24 H new ATOM 0 HD1 HIS A 69 7.044 -4.151 -4.800 1.00 23.33 H new ATOM 0 HD2 HIS A 69 8.158 -0.989 -2.291 1.00 35.32 H new ATOM 0 HE1 HIS A 69 8.256 -5.190 -2.829 1.00 52.14 H new ATOM 0 HE2 HIS A 69 8.942 -3.273 -1.310 1.00 75.53 H new ATOM 1151 N SER A 70 9.828 0.395 -4.937 1.00 63.10 N ATOM 1152 CA SER A 70 11.259 0.202 -5.198 1.00 52.40 C ATOM 1153 C SER A 70 12.043 0.102 -3.885 1.00 14.45 C ATOM 1154 O SER A 70 12.355 1.115 -3.264 1.00 60.03 O ATOM 1155 CB SER A 70 11.814 1.357 -6.049 1.00 61.30 C ATOM 1156 OG SER A 70 11.590 2.617 -5.426 1.00 45.51 O ATOM 0 H SER A 70 9.625 1.115 -4.243 1.00 63.10 H new ATOM 0 HA SER A 70 11.377 -0.732 -5.748 1.00 52.40 H new ATOM 0 HB2 SER A 70 12.883 1.213 -6.207 1.00 61.30 H new ATOM 0 HB3 SER A 70 11.342 1.346 -7.031 1.00 61.30 H new ATOM 0 HG SER A 70 11.772 2.544 -4.466 1.00 45.51 H new ATOM 1162 N ASP A 71 12.382 -1.123 -3.484 1.00 23.41 N ATOM 1163 CA ASP A 71 13.030 -1.383 -2.185 1.00 23.40 C ATOM 1164 C ASP A 71 14.442 -0.767 -2.084 1.00 32.53 C ATOM 1165 O ASP A 71 15.123 -0.911 -1.068 1.00 61.20 O ATOM 1166 CB ASP A 71 13.085 -2.892 -1.926 1.00 33.01 C ATOM 1167 CG ASP A 71 11.701 -3.519 -1.975 1.00 0.15 C ATOM 1168 OD1 ASP A 71 10.958 -3.413 -0.975 1.00 23.21 O ATOM 1169 OD2 ASP A 71 11.342 -4.096 -3.024 1.00 74.11 O ATOM 0 H ASP A 71 12.220 -1.962 -4.041 1.00 23.41 H new ATOM 0 HA ASP A 71 12.425 -0.898 -1.419 1.00 23.40 H new ATOM 0 HB2 ASP A 71 13.726 -3.366 -2.669 1.00 33.01 H new ATOM 0 HB3 ASP A 71 13.535 -3.078 -0.951 1.00 33.01 H new ATOM 1174 N LYS A 72 14.884 -0.094 -3.143 1.00 72.35 N ATOM 1175 CA LYS A 72 16.126 0.682 -3.099 1.00 33.24 C ATOM 1176 C LYS A 72 15.895 2.034 -2.398 1.00 4.13 C ATOM 1177 O LYS A 72 16.805 2.589 -1.779 1.00 51.25 O ATOM 1178 CB LYS A 72 16.657 0.917 -4.521 1.00 61.31 C ATOM 1179 CG LYS A 72 16.957 -0.366 -5.295 1.00 3.40 C ATOM 1180 CD LYS A 72 18.069 -1.183 -4.638 1.00 44.21 C ATOM 1181 CE LYS A 72 18.377 -2.456 -5.420 1.00 1.32 C ATOM 1182 NZ LYS A 72 18.834 -2.169 -6.806 1.00 63.23 N ATOM 0 H LYS A 72 14.403 -0.069 -4.042 1.00 72.35 H new ATOM 0 HA LYS A 72 16.864 0.115 -2.532 1.00 33.24 H new ATOM 0 HB2 LYS A 72 15.926 1.502 -5.078 1.00 61.31 H new ATOM 0 HB3 LYS A 72 17.567 1.515 -4.463 1.00 61.31 H new ATOM 0 HG2 LYS A 72 16.052 -0.971 -5.360 1.00 3.40 H new ATOM 0 HG3 LYS A 72 17.246 -0.115 -6.316 1.00 3.40 H new ATOM 0 HD2 LYS A 72 18.971 -0.575 -4.564 1.00 44.21 H new ATOM 0 HD3 LYS A 72 17.776 -1.444 -3.621 1.00 44.21 H new ATOM 0 HE2 LYS A 72 19.146 -3.025 -4.897 1.00 1.32 H new ATOM 0 HE3 LYS A 72 17.486 -3.083 -5.456 1.00 1.32 H new ATOM 0 HZ1 LYS A 72 19.222 -3.036 -7.230 1.00 63.23 H new ATOM 0 HZ2 LYS A 72 18.030 -1.836 -7.375 1.00 63.23 H new ATOM 0 HZ3 LYS A 72 19.570 -1.435 -6.784 1.00 63.23 H new ATOM 1196 N LYS A 73 14.667 2.552 -2.501 1.00 73.02 N ATOM 1197 CA LYS A 73 14.294 3.850 -1.904 1.00 70.33 C ATOM 1198 C LYS A 73 12.894 3.804 -1.268 1.00 13.55 C ATOM 1199 O LYS A 73 12.339 4.840 -0.892 1.00 62.21 O ATOM 1200 CB LYS A 73 14.299 4.945 -2.979 1.00 1.00 C ATOM 1201 CG LYS A 73 15.657 5.200 -3.621 1.00 11.23 C ATOM 1202 CD LYS A 73 15.547 6.229 -4.739 1.00 12.52 C ATOM 1203 CE LYS A 73 16.905 6.605 -5.308 1.00 30.14 C ATOM 1204 NZ LYS A 73 16.784 7.582 -6.420 1.00 35.43 N ATOM 0 H LYS A 73 13.904 2.091 -2.996 1.00 73.02 H new ATOM 0 HA LYS A 73 15.028 4.069 -1.128 1.00 70.33 H new ATOM 0 HB2 LYS A 73 13.589 4.672 -3.760 1.00 1.00 H new ATOM 0 HB3 LYS A 73 13.942 5.874 -2.534 1.00 1.00 H new ATOM 0 HG2 LYS A 73 16.360 5.552 -2.866 1.00 11.23 H new ATOM 0 HG3 LYS A 73 16.056 4.267 -4.018 1.00 11.23 H new ATOM 0 HD2 LYS A 73 14.918 5.832 -5.536 1.00 12.52 H new ATOM 0 HD3 LYS A 73 15.053 7.124 -4.360 1.00 12.52 H new ATOM 0 HE2 LYS A 73 17.526 7.028 -4.518 1.00 30.14 H new ATOM 0 HE3 LYS A 73 17.411 5.708 -5.665 1.00 30.14 H new ATOM 0 HZ1 LYS A 73 17.731 7.814 -6.782 1.00 35.43 H new ATOM 0 HZ2 LYS A 73 16.212 7.169 -7.184 1.00 35.43 H new ATOM 0 HZ3 LYS A 73 16.324 8.448 -6.073 1.00 35.43 H new ATOM 1218 N GLY A 74 12.324 2.609 -1.147 1.00 41.11 N ATOM 1219 CA GLY A 74 10.936 2.481 -0.719 1.00 70.03 C ATOM 1220 C GLY A 74 9.955 2.876 -1.824 1.00 2.40 C ATOM 1221 O GLY A 74 9.209 2.038 -2.344 1.00 52.44 O ATOM 0 H GLY A 74 12.796 1.725 -1.337 1.00 41.11 H new ATOM 0 HA2 GLY A 74 10.744 1.452 -0.415 1.00 70.03 H new ATOM 0 HA3 GLY A 74 10.768 3.108 0.156 1.00 70.03 H new ATOM 1225 N VAL A 75 9.970 4.160 -2.185 1.00 74.03 N ATOM 1226 CA VAL A 75 9.144 4.694 -3.275 1.00 43.44 C ATOM 1227 C VAL A 75 9.995 5.519 -4.253 1.00 12.14 C ATOM 1228 O VAL A 75 10.738 6.413 -3.843 1.00 31.42 O ATOM 1229 CB VAL A 75 7.994 5.583 -2.730 1.00 12.42 C ATOM 1230 CG1 VAL A 75 7.215 6.237 -3.873 1.00 42.40 C ATOM 1231 CG2 VAL A 75 7.061 4.767 -1.837 1.00 42.25 C ATOM 0 H VAL A 75 10.555 4.862 -1.731 1.00 74.03 H new ATOM 0 HA VAL A 75 8.714 3.840 -3.798 1.00 43.44 H new ATOM 0 HB VAL A 75 8.437 6.377 -2.129 1.00 12.42 H new ATOM 0 HG11 VAL A 75 6.416 6.854 -3.462 1.00 42.40 H new ATOM 0 HG12 VAL A 75 7.888 6.860 -4.462 1.00 42.40 H new ATOM 0 HG13 VAL A 75 6.786 5.464 -4.510 1.00 42.40 H new ATOM 0 HG21 VAL A 75 6.261 5.407 -1.465 1.00 42.25 H new ATOM 0 HG22 VAL A 75 6.631 3.947 -2.413 1.00 42.25 H new ATOM 0 HG23 VAL A 75 7.624 4.363 -0.996 1.00 42.25 H new ATOM 1241 N SER A 76 9.893 5.212 -5.543 1.00 22.01 N ATOM 1242 CA SER A 76 10.640 5.954 -6.572 1.00 74.30 C ATOM 1243 C SER A 76 9.767 7.010 -7.269 1.00 14.24 C ATOM 1244 O SER A 76 10.257 8.074 -7.650 1.00 4.21 O ATOM 1245 CB SER A 76 11.220 4.993 -7.618 1.00 13.25 C ATOM 1246 OG SER A 76 11.983 5.689 -8.592 1.00 4.34 O ATOM 0 H SER A 76 9.306 4.461 -5.906 1.00 22.01 H new ATOM 0 HA SER A 76 11.453 6.471 -6.063 1.00 74.30 H new ATOM 0 HB2 SER A 76 11.847 4.251 -7.124 1.00 13.25 H new ATOM 0 HB3 SER A 76 10.410 4.452 -8.107 1.00 13.25 H new ATOM 0 HG SER A 76 12.341 5.051 -9.244 1.00 4.34 H new ATOM 1252 N ALA A 77 8.474 6.716 -7.435 1.00 55.25 N ATOM 1253 CA ALA A 77 7.556 7.632 -8.132 1.00 53.34 C ATOM 1254 C ALA A 77 6.082 7.351 -7.797 1.00 42.20 C ATOM 1255 O ALA A 77 5.762 6.393 -7.091 1.00 65.31 O ATOM 1256 CB ALA A 77 7.774 7.544 -9.639 1.00 73.34 C ATOM 0 H ALA A 77 8.038 5.857 -7.100 1.00 55.25 H new ATOM 0 HA ALA A 77 7.781 8.641 -7.785 1.00 53.34 H new ATOM 0 HB1 ALA A 77 7.090 8.225 -10.146 1.00 73.34 H new ATOM 0 HB2 ALA A 77 8.802 7.820 -9.875 1.00 73.34 H new ATOM 0 HB3 ALA A 77 7.586 6.524 -9.975 1.00 73.34 H new ATOM 1262 N TRP A 78 5.198 8.202 -8.317 1.00 32.14 N ATOM 1263 CA TRP A 78 3.750 8.075 -8.095 1.00 50.54 C ATOM 1264 C TRP A 78 2.944 8.740 -9.232 1.00 72.42 C ATOM 1265 O TRP A 78 3.315 9.804 -9.733 1.00 31.53 O ATOM 1266 CB TRP A 78 3.364 8.702 -6.743 1.00 33.31 C ATOM 1267 CG TRP A 78 3.939 10.078 -6.533 1.00 44.05 C ATOM 1268 CD1 TRP A 78 5.169 10.377 -6.018 1.00 72.32 C ATOM 1269 CD2 TRP A 78 3.314 11.335 -6.831 1.00 41.21 C ATOM 1270 NE1 TRP A 78 5.348 11.738 -5.987 1.00 42.44 N ATOM 1271 CE2 TRP A 78 4.224 12.346 -6.478 1.00 22.45 C ATOM 1272 CE3 TRP A 78 2.075 11.701 -7.368 1.00 64.22 C ATOM 1273 CZ2 TRP A 78 3.934 13.698 -6.641 1.00 22.44 C ATOM 1274 CZ3 TRP A 78 1.789 13.043 -7.530 1.00 52.13 C ATOM 1275 CH2 TRP A 78 2.716 14.028 -7.169 1.00 3.32 C ATOM 0 H TRP A 78 5.459 8.996 -8.901 1.00 32.14 H new ATOM 0 HA TRP A 78 3.506 7.013 -8.085 1.00 50.54 H new ATOM 0 HB2 TRP A 78 2.278 8.756 -6.674 1.00 33.31 H new ATOM 0 HB3 TRP A 78 3.702 8.049 -5.939 1.00 33.31 H new ATOM 0 HD1 TRP A 78 5.894 9.649 -5.684 1.00 72.32 H new ATOM 0 HE1 TRP A 78 6.183 12.218 -5.652 1.00 42.44 H new ATOM 0 HE3 TRP A 78 1.355 10.948 -7.651 1.00 64.22 H new ATOM 0 HZ2 TRP A 78 4.646 14.460 -6.360 1.00 22.44 H new ATOM 0 HZ3 TRP A 78 0.835 13.337 -7.942 1.00 52.13 H new ATOM 0 HH2 TRP A 78 2.465 15.069 -7.310 1.00 3.32 H new ATOM 1286 N GLU A 79 1.846 8.102 -9.643 1.00 35.31 N ATOM 1287 CA GLU A 79 0.937 8.683 -10.651 1.00 70.33 C ATOM 1288 C GLU A 79 -0.475 8.877 -10.083 1.00 32.40 C ATOM 1289 O GLU A 79 -1.033 7.969 -9.470 1.00 42.10 O ATOM 1290 CB GLU A 79 0.840 7.787 -11.889 1.00 2.44 C ATOM 1291 CG GLU A 79 2.174 7.480 -12.560 1.00 20.50 C ATOM 1292 CD GLU A 79 2.018 6.542 -13.748 1.00 54.32 C ATOM 1293 OE1 GLU A 79 1.266 6.886 -14.687 1.00 74.23 O ATOM 1294 OE2 GLU A 79 2.634 5.456 -13.747 1.00 4.35 O ATOM 0 H GLU A 79 1.560 7.186 -9.299 1.00 35.31 H new ATOM 0 HA GLU A 79 1.355 9.651 -10.929 1.00 70.33 H new ATOM 0 HB2 GLU A 79 0.367 6.847 -11.604 1.00 2.44 H new ATOM 0 HB3 GLU A 79 0.185 8.266 -12.617 1.00 2.44 H new ATOM 0 HG2 GLU A 79 2.634 8.411 -12.892 1.00 20.50 H new ATOM 0 HG3 GLU A 79 2.850 7.032 -11.832 1.00 20.50 H new ATOM 1301 N GLU A 80 -1.059 10.043 -10.327 1.00 33.20 N ATOM 1302 CA GLU A 80 -2.408 10.363 -9.830 1.00 60.51 C ATOM 1303 C GLU A 80 -3.491 9.950 -10.850 1.00 24.51 C ATOM 1304 O GLU A 80 -3.619 10.557 -11.917 1.00 60.13 O ATOM 1305 CB GLU A 80 -2.520 11.870 -9.527 1.00 53.35 C ATOM 1306 CG GLU A 80 -3.857 12.285 -8.913 1.00 41.44 C ATOM 1307 CD GLU A 80 -3.967 13.791 -8.689 1.00 21.40 C ATOM 1308 OE1 GLU A 80 -3.534 14.280 -7.625 1.00 13.41 O ATOM 1309 OE2 GLU A 80 -4.482 14.497 -9.590 1.00 45.34 O ATOM 0 H GLU A 80 -0.625 10.791 -10.867 1.00 33.20 H new ATOM 0 HA GLU A 80 -2.570 9.798 -8.912 1.00 60.51 H new ATOM 0 HB2 GLU A 80 -1.716 12.154 -8.847 1.00 53.35 H new ATOM 0 HB3 GLU A 80 -2.368 12.428 -10.451 1.00 53.35 H new ATOM 0 HG2 GLU A 80 -4.667 11.960 -9.566 1.00 41.44 H new ATOM 0 HG3 GLU A 80 -3.989 11.771 -7.961 1.00 41.44 H new ATOM 1316 N VAL A 81 -4.260 8.912 -10.521 1.00 3.31 N ATOM 1317 CA VAL A 81 -5.351 8.440 -11.389 1.00 15.15 C ATOM 1318 C VAL A 81 -6.726 8.753 -10.771 1.00 63.13 C ATOM 1319 O VAL A 81 -6.818 9.208 -9.628 1.00 40.24 O ATOM 1320 CB VAL A 81 -5.244 6.918 -11.672 1.00 12.10 C ATOM 1321 CG1 VAL A 81 -3.919 6.586 -12.353 1.00 41.45 C ATOM 1322 CG2 VAL A 81 -5.421 6.104 -10.391 1.00 4.44 C ATOM 0 H VAL A 81 -4.151 8.378 -9.659 1.00 3.31 H new ATOM 0 HA VAL A 81 -5.254 8.974 -12.334 1.00 15.15 H new ATOM 0 HB VAL A 81 -6.052 6.645 -12.351 1.00 12.10 H new ATOM 0 HG11 VAL A 81 -3.866 5.514 -12.542 1.00 41.45 H new ATOM 0 HG12 VAL A 81 -3.851 7.125 -13.298 1.00 41.45 H new ATOM 0 HG13 VAL A 81 -3.093 6.882 -11.706 1.00 41.45 H new ATOM 0 HG21 VAL A 81 -5.341 5.042 -10.621 1.00 4.44 H new ATOM 0 HG22 VAL A 81 -4.647 6.380 -9.675 1.00 4.44 H new ATOM 0 HG23 VAL A 81 -6.402 6.309 -9.962 1.00 4.44 H new ATOM 1332 N LYS A 82 -7.798 8.514 -11.527 1.00 1.54 N ATOM 1333 CA LYS A 82 -9.157 8.834 -11.063 1.00 73.41 C ATOM 1334 C LYS A 82 -10.046 7.586 -10.964 1.00 41.33 C ATOM 1335 O LYS A 82 -9.949 6.665 -11.771 1.00 53.12 O ATOM 1336 CB LYS A 82 -9.823 9.895 -11.961 1.00 75.24 C ATOM 1337 CG LYS A 82 -9.739 9.625 -13.467 1.00 34.25 C ATOM 1338 CD LYS A 82 -8.375 10.006 -14.049 1.00 21.51 C ATOM 1339 CE LYS A 82 -8.346 9.876 -15.570 1.00 23.33 C ATOM 1340 NZ LYS A 82 -8.634 8.490 -16.017 1.00 52.14 N ATOM 0 H LYS A 82 -7.757 8.102 -12.459 1.00 1.54 H new ATOM 0 HA LYS A 82 -9.052 9.246 -10.059 1.00 73.41 H new ATOM 0 HB2 LYS A 82 -10.873 9.976 -11.681 1.00 75.24 H new ATOM 0 HB3 LYS A 82 -9.363 10.862 -11.756 1.00 75.24 H new ATOM 0 HG2 LYS A 82 -9.930 8.569 -13.656 1.00 34.25 H new ATOM 0 HG3 LYS A 82 -10.520 10.187 -13.979 1.00 34.25 H new ATOM 0 HD2 LYS A 82 -8.135 11.031 -13.768 1.00 21.51 H new ATOM 0 HD3 LYS A 82 -7.605 9.368 -13.616 1.00 21.51 H new ATOM 0 HE2 LYS A 82 -9.078 10.556 -16.006 1.00 23.33 H new ATOM 0 HE3 LYS A 82 -7.367 10.180 -15.941 1.00 23.33 H new ATOM 0 HZ1 LYS A 82 -8.000 8.240 -16.803 1.00 52.14 H new ATOM 0 HZ2 LYS A 82 -8.482 7.832 -15.226 1.00 52.14 H new ATOM 0 HZ3 LYS A 82 -9.622 8.426 -16.335 1.00 52.14 H new ATOM 1354 N LYS A 83 -10.940 7.584 -9.974 1.00 1.41 N ATOM 1355 CA LYS A 83 -11.837 6.442 -9.711 1.00 35.42 C ATOM 1356 C LYS A 83 -12.800 6.136 -10.878 1.00 44.02 C ATOM 1357 O LYS A 83 -13.547 5.155 -10.832 1.00 53.14 O ATOM 1358 CB LYS A 83 -12.626 6.683 -8.405 1.00 14.23 C ATOM 1359 CG LYS A 83 -13.218 8.093 -8.255 1.00 64.40 C ATOM 1360 CD LYS A 83 -14.357 8.372 -9.233 1.00 34.31 C ATOM 1361 CE LYS A 83 -14.792 9.833 -9.189 1.00 43.10 C ATOM 1362 NZ LYS A 83 -13.699 10.756 -9.609 1.00 60.34 N ATOM 0 H LYS A 83 -11.068 8.366 -9.332 1.00 1.41 H new ATOM 0 HA LYS A 83 -11.203 5.562 -9.604 1.00 35.42 H new ATOM 0 HB2 LYS A 83 -13.437 5.957 -8.349 1.00 14.23 H new ATOM 0 HB3 LYS A 83 -11.966 6.490 -7.559 1.00 14.23 H new ATOM 0 HG2 LYS A 83 -13.583 8.221 -7.236 1.00 64.40 H new ATOM 0 HG3 LYS A 83 -12.429 8.830 -8.406 1.00 64.40 H new ATOM 0 HD2 LYS A 83 -14.039 8.117 -10.244 1.00 34.31 H new ATOM 0 HD3 LYS A 83 -15.206 7.732 -8.995 1.00 34.31 H new ATOM 0 HE2 LYS A 83 -15.655 9.974 -9.840 1.00 43.10 H new ATOM 0 HE3 LYS A 83 -15.111 10.086 -8.178 1.00 43.10 H new ATOM 0 HZ1 LYS A 83 -14.082 11.716 -9.728 1.00 60.34 H new ATOM 0 HZ2 LYS A 83 -12.956 10.767 -8.882 1.00 60.34 H new ATOM 0 HZ3 LYS A 83 -13.296 10.430 -10.511 1.00 60.34 H new ATOM 1376 N ASP A 84 -12.782 6.975 -11.912 1.00 54.45 N ATOM 1377 CA ASP A 84 -13.650 6.803 -13.082 1.00 62.43 C ATOM 1378 C ASP A 84 -13.166 5.662 -13.998 1.00 23.03 C ATOM 1379 O ASP A 84 -13.940 5.107 -14.779 1.00 60.24 O ATOM 1380 CB ASP A 84 -13.697 8.112 -13.876 1.00 32.54 C ATOM 1381 CG ASP A 84 -14.088 9.297 -13.012 1.00 72.34 C ATOM 1382 OD1 ASP A 84 -13.260 9.732 -12.184 1.00 73.30 O ATOM 1383 OD2 ASP A 84 -15.220 9.807 -13.158 1.00 63.44 O ATOM 0 H ASP A 84 -12.170 7.789 -11.966 1.00 54.45 H new ATOM 0 HA ASP A 84 -14.645 6.540 -12.724 1.00 62.43 H new ATOM 0 HB2 ASP A 84 -12.721 8.298 -14.323 1.00 32.54 H new ATOM 0 HB3 ASP A 84 -14.409 8.012 -14.695 1.00 32.54 H new ATOM 1388 N GLU A 85 -11.880 5.324 -13.909 1.00 40.55 N ATOM 1389 CA GLU A 85 -11.289 4.270 -14.751 1.00 21.42 C ATOM 1390 C GLU A 85 -11.191 2.927 -14.005 1.00 71.35 C ATOM 1391 O GLU A 85 -10.704 1.932 -14.549 1.00 34.03 O ATOM 1392 CB GLU A 85 -9.899 4.711 -15.228 1.00 0.24 C ATOM 1393 CG GLU A 85 -8.880 4.869 -14.103 1.00 14.15 C ATOM 1394 CD GLU A 85 -7.626 5.604 -14.545 1.00 40.10 C ATOM 1395 OE1 GLU A 85 -6.800 5.005 -15.262 1.00 25.13 O ATOM 1396 OE2 GLU A 85 -7.470 6.795 -14.192 1.00 74.30 O ATOM 0 H GLU A 85 -11.223 5.762 -13.264 1.00 40.55 H new ATOM 0 HA GLU A 85 -11.944 4.120 -15.609 1.00 21.42 H new ATOM 0 HB2 GLU A 85 -9.523 3.981 -15.945 1.00 0.24 H new ATOM 0 HB3 GLU A 85 -9.991 5.659 -15.757 1.00 0.24 H new ATOM 0 HG2 GLU A 85 -9.340 5.409 -13.275 1.00 14.15 H new ATOM 0 HG3 GLU A 85 -8.605 3.884 -13.727 1.00 14.15 H new ATOM 1403 N LEU A 86 -11.660 2.904 -12.759 1.00 63.32 N ATOM 1404 CA LEU A 86 -11.618 1.693 -11.932 1.00 75.12 C ATOM 1405 C LEU A 86 -12.885 0.845 -12.122 1.00 15.31 C ATOM 1406 O LEU A 86 -14.001 1.328 -11.915 1.00 63.32 O ATOM 1407 CB LEU A 86 -11.454 2.070 -10.453 1.00 70.20 C ATOM 1408 CG LEU A 86 -10.168 2.843 -10.108 1.00 54.02 C ATOM 1409 CD1 LEU A 86 -10.115 3.158 -8.614 1.00 51.31 C ATOM 1410 CD2 LEU A 86 -8.928 2.059 -10.543 1.00 51.20 C ATOM 0 H LEU A 86 -12.076 3.712 -12.296 1.00 63.32 H new ATOM 0 HA LEU A 86 -10.762 1.098 -12.249 1.00 75.12 H new ATOM 0 HB2 LEU A 86 -12.311 2.672 -10.152 1.00 70.20 H new ATOM 0 HB3 LEU A 86 -11.480 1.157 -9.858 1.00 70.20 H new ATOM 0 HG LEU A 86 -10.179 3.785 -10.655 1.00 54.02 H new ATOM 0 HD11 LEU A 86 -9.199 3.704 -8.390 1.00 51.31 H new ATOM 0 HD12 LEU A 86 -10.977 3.766 -8.340 1.00 51.31 H new ATOM 0 HD13 LEU A 86 -10.131 2.228 -8.045 1.00 51.31 H new ATOM 0 HD21 LEU A 86 -8.032 2.625 -10.289 1.00 51.20 H new ATOM 0 HD22 LEU A 86 -8.907 1.097 -10.030 1.00 51.20 H new ATOM 0 HD23 LEU A 86 -8.960 1.895 -11.620 1.00 51.20 H new ATOM 1422 N PRO A 87 -12.734 -0.431 -12.532 1.00 3.40 N ATOM 1423 CA PRO A 87 -13.873 -1.349 -12.721 1.00 24.11 C ATOM 1424 C PRO A 87 -14.617 -1.651 -11.411 1.00 60.15 C ATOM 1425 O PRO A 87 -13.995 -1.894 -10.371 1.00 44.40 O ATOM 1426 CB PRO A 87 -13.222 -2.630 -13.280 1.00 74.20 C ATOM 1427 CG PRO A 87 -11.873 -2.204 -13.761 1.00 4.42 C ATOM 1428 CD PRO A 87 -11.454 -1.080 -12.857 1.00 55.34 C ATOM 0 HA PRO A 87 -14.628 -0.918 -13.378 1.00 24.11 H new ATOM 0 HB2 PRO A 87 -13.142 -3.399 -12.512 1.00 74.20 H new ATOM 0 HB3 PRO A 87 -13.815 -3.051 -14.092 1.00 74.20 H new ATOM 0 HG2 PRO A 87 -11.162 -3.029 -13.714 1.00 4.42 H new ATOM 0 HG3 PRO A 87 -11.913 -1.876 -14.800 1.00 4.42 H new ATOM 0 HD2 PRO A 87 -10.948 -1.446 -11.964 1.00 55.34 H new ATOM 0 HD3 PRO A 87 -10.768 -0.395 -13.354 1.00 55.34 H new ATOM 1436 N ALA A 88 -15.949 -1.650 -11.471 1.00 73.31 N ATOM 1437 CA ALA A 88 -16.787 -1.913 -10.293 1.00 43.14 C ATOM 1438 C ALA A 88 -16.411 -3.233 -9.602 1.00 5.25 C ATOM 1439 O ALA A 88 -16.401 -3.314 -8.380 1.00 54.44 O ATOM 1440 CB ALA A 88 -18.262 -1.922 -10.676 1.00 51.01 C ATOM 0 H ALA A 88 -16.476 -1.469 -12.325 1.00 73.31 H new ATOM 0 HA ALA A 88 -16.607 -1.106 -9.583 1.00 43.14 H new ATOM 0 HB1 ALA A 88 -18.867 -2.118 -9.791 1.00 51.01 H new ATOM 0 HB2 ALA A 88 -18.535 -0.953 -11.094 1.00 51.01 H new ATOM 0 HB3 ALA A 88 -18.441 -2.701 -11.417 1.00 51.01 H new ATOM 1446 N LYS A 89 -16.097 -4.260 -10.393 1.00 72.21 N ATOM 1447 CA LYS A 89 -15.684 -5.563 -9.852 1.00 44.34 C ATOM 1448 C LYS A 89 -14.409 -5.464 -8.991 1.00 0.12 C ATOM 1449 O LYS A 89 -14.290 -6.142 -7.973 1.00 41.02 O ATOM 1450 CB LYS A 89 -15.499 -6.578 -10.993 1.00 14.12 C ATOM 1451 CG LYS A 89 -16.768 -7.365 -11.318 1.00 52.52 C ATOM 1452 CD LYS A 89 -17.117 -8.334 -10.190 1.00 61.24 C ATOM 1453 CE LYS A 89 -18.437 -9.057 -10.434 1.00 1.41 C ATOM 1454 NZ LYS A 89 -19.611 -8.160 -10.261 1.00 63.45 N ATOM 0 H LYS A 89 -16.120 -4.218 -11.412 1.00 72.21 H new ATOM 0 HA LYS A 89 -16.480 -5.910 -9.193 1.00 44.34 H new ATOM 0 HB2 LYS A 89 -15.168 -6.051 -11.888 1.00 14.12 H new ATOM 0 HB3 LYS A 89 -14.707 -7.276 -10.723 1.00 14.12 H new ATOM 0 HG2 LYS A 89 -17.597 -6.675 -11.479 1.00 52.52 H new ATOM 0 HG3 LYS A 89 -16.629 -7.918 -12.247 1.00 52.52 H new ATOM 0 HD2 LYS A 89 -16.318 -9.068 -10.084 1.00 61.24 H new ATOM 0 HD3 LYS A 89 -17.174 -7.787 -9.249 1.00 61.24 H new ATOM 0 HE2 LYS A 89 -18.442 -9.469 -11.443 1.00 1.41 H new ATOM 0 HE3 LYS A 89 -18.521 -9.898 -9.746 1.00 1.41 H new ATOM 0 HZ1 LYS A 89 -20.487 -8.706 -10.387 1.00 63.45 H new ATOM 0 HZ2 LYS A 89 -19.595 -7.747 -9.307 1.00 63.45 H new ATOM 0 HZ3 LYS A 89 -19.573 -7.399 -10.968 1.00 63.45 H new ATOM 1468 N VAL A 90 -13.466 -4.616 -9.390 1.00 70.21 N ATOM 1469 CA VAL A 90 -12.248 -4.398 -8.598 1.00 2.12 C ATOM 1470 C VAL A 90 -12.573 -3.616 -7.312 1.00 33.34 C ATOM 1471 O VAL A 90 -12.020 -3.874 -6.241 1.00 74.24 O ATOM 1472 CB VAL A 90 -11.168 -3.637 -9.411 1.00 2.33 C ATOM 1473 CG1 VAL A 90 -9.901 -3.430 -8.581 1.00 42.14 C ATOM 1474 CG2 VAL A 90 -10.848 -4.376 -10.711 1.00 13.23 C ATOM 0 H VAL A 90 -13.515 -4.069 -10.250 1.00 70.21 H new ATOM 0 HA VAL A 90 -11.851 -5.379 -8.335 1.00 2.12 H new ATOM 0 HB VAL A 90 -11.568 -2.655 -9.665 1.00 2.33 H new ATOM 0 HG11 VAL A 90 -9.160 -2.894 -9.175 1.00 42.14 H new ATOM 0 HG12 VAL A 90 -10.141 -2.850 -7.690 1.00 42.14 H new ATOM 0 HG13 VAL A 90 -9.497 -4.398 -8.285 1.00 42.14 H new ATOM 0 HG21 VAL A 90 -10.088 -3.825 -11.265 1.00 13.23 H new ATOM 0 HG22 VAL A 90 -10.476 -5.374 -10.480 1.00 13.23 H new ATOM 0 HG23 VAL A 90 -11.751 -4.457 -11.316 1.00 13.23 H new ATOM 1484 N LYS A 91 -13.494 -2.664 -7.435 1.00 51.45 N ATOM 1485 CA LYS A 91 -13.955 -1.867 -6.295 1.00 75.32 C ATOM 1486 C LYS A 91 -14.924 -2.681 -5.410 1.00 1.34 C ATOM 1487 O LYS A 91 -15.125 -2.377 -4.230 1.00 21.32 O ATOM 1488 CB LYS A 91 -14.641 -0.597 -6.822 1.00 3.33 C ATOM 1489 CG LYS A 91 -14.914 0.467 -5.764 1.00 63.52 C ATOM 1490 CD LYS A 91 -15.544 1.716 -6.382 1.00 31.31 C ATOM 1491 CE LYS A 91 -15.658 2.860 -5.381 1.00 20.54 C ATOM 1492 NZ LYS A 91 -16.269 4.067 -5.994 1.00 63.34 N ATOM 0 H LYS A 91 -13.941 -2.422 -8.319 1.00 51.45 H new ATOM 0 HA LYS A 91 -13.100 -1.592 -5.678 1.00 75.32 H new ATOM 0 HB2 LYS A 91 -14.018 -0.162 -7.603 1.00 3.33 H new ATOM 0 HB3 LYS A 91 -15.586 -0.878 -7.288 1.00 3.33 H new ATOM 0 HG2 LYS A 91 -15.578 0.062 -5.001 1.00 63.52 H new ATOM 0 HG3 LYS A 91 -13.982 0.735 -5.266 1.00 63.52 H new ATOM 0 HD2 LYS A 91 -14.945 2.039 -7.234 1.00 31.31 H new ATOM 0 HD3 LYS A 91 -16.535 1.470 -6.764 1.00 31.31 H new ATOM 0 HE2 LYS A 91 -16.259 2.540 -4.530 1.00 20.54 H new ATOM 0 HE3 LYS A 91 -14.668 3.108 -4.997 1.00 20.54 H new ATOM 0 HZ1 LYS A 91 -16.330 4.824 -5.284 1.00 63.34 H new ATOM 0 HZ2 LYS A 91 -15.682 4.387 -6.791 1.00 63.34 H new ATOM 0 HZ3 LYS A 91 -17.223 3.837 -6.338 1.00 63.34 H new ATOM 1506 N GLU A 92 -15.501 -3.729 -5.994 1.00 43.23 N ATOM 1507 CA GLU A 92 -16.469 -4.598 -5.312 1.00 60.34 C ATOM 1508 C GLU A 92 -15.829 -5.358 -4.137 1.00 53.34 C ATOM 1509 O GLU A 92 -16.334 -5.320 -3.010 1.00 23.43 O ATOM 1510 CB GLU A 92 -17.057 -5.586 -6.329 1.00 11.10 C ATOM 1511 CG GLU A 92 -18.150 -6.497 -5.783 1.00 1.11 C ATOM 1512 CD GLU A 92 -18.684 -7.447 -6.845 1.00 23.15 C ATOM 1513 OE1 GLU A 92 -19.581 -7.045 -7.618 1.00 35.12 O ATOM 1514 OE2 GLU A 92 -18.192 -8.591 -6.927 1.00 43.34 O ATOM 0 H GLU A 92 -15.312 -4.004 -6.958 1.00 43.23 H new ATOM 0 HA GLU A 92 -17.260 -3.974 -4.897 1.00 60.34 H new ATOM 0 HB2 GLU A 92 -17.461 -5.022 -7.169 1.00 11.10 H new ATOM 0 HB3 GLU A 92 -16.250 -6.206 -6.720 1.00 11.10 H new ATOM 0 HG2 GLU A 92 -17.757 -7.074 -4.946 1.00 1.11 H new ATOM 0 HG3 GLU A 92 -18.968 -5.890 -5.396 1.00 1.11 H new ATOM 1521 N LYS A 93 -14.712 -6.038 -4.400 1.00 71.12 N ATOM 1522 CA LYS A 93 -13.989 -6.777 -3.350 1.00 72.14 C ATOM 1523 C LYS A 93 -13.006 -5.852 -2.605 1.00 61.34 C ATOM 1524 O LYS A 93 -12.282 -6.291 -1.708 1.00 64.43 O ATOM 1525 CB LYS A 93 -13.211 -7.971 -3.941 1.00 40.42 C ATOM 1526 CG LYS A 93 -14.052 -8.992 -4.718 1.00 12.22 C ATOM 1527 CD LYS A 93 -14.445 -8.483 -6.105 1.00 51.31 C ATOM 1528 CE LYS A 93 -14.928 -9.604 -7.021 1.00 2.22 C ATOM 1529 NZ LYS A 93 -16.115 -10.310 -6.474 1.00 62.34 N ATOM 0 H LYS A 93 -14.286 -6.096 -5.325 1.00 71.12 H new ATOM 0 HA LYS A 93 -14.735 -7.152 -2.649 1.00 72.14 H new ATOM 0 HB2 LYS A 93 -12.437 -7.585 -4.604 1.00 40.42 H new ATOM 0 HB3 LYS A 93 -12.704 -8.489 -3.127 1.00 40.42 H new ATOM 0 HG2 LYS A 93 -13.490 -9.920 -4.820 1.00 12.22 H new ATOM 0 HG3 LYS A 93 -14.953 -9.225 -4.150 1.00 12.22 H new ATOM 0 HD2 LYS A 93 -15.231 -7.735 -6.005 1.00 51.31 H new ATOM 0 HD3 LYS A 93 -13.589 -7.987 -6.563 1.00 51.31 H new ATOM 0 HE2 LYS A 93 -15.174 -9.190 -7.999 1.00 2.22 H new ATOM 0 HE3 LYS A 93 -14.120 -10.320 -7.172 1.00 2.22 H new ATOM 0 HZ1 LYS A 93 -16.426 -11.039 -7.147 1.00 62.34 H new ATOM 0 HZ2 LYS A 93 -15.866 -10.758 -5.569 1.00 62.34 H new ATOM 0 HZ3 LYS A 93 -16.885 -9.628 -6.323 1.00 62.34 H new ATOM 1543 N LEU A 94 -12.998 -4.575 -2.999 1.00 35.14 N ATOM 1544 CA LEU A 94 -12.105 -3.554 -2.431 1.00 73.45 C ATOM 1545 C LEU A 94 -10.628 -3.876 -2.735 1.00 41.45 C ATOM 1546 O LEU A 94 -9.911 -4.431 -1.898 1.00 20.24 O ATOM 1547 CB LEU A 94 -12.341 -3.394 -0.909 1.00 22.11 C ATOM 1548 CG LEU A 94 -11.937 -2.034 -0.288 1.00 71.10 C ATOM 1549 CD1 LEU A 94 -12.431 -1.935 1.153 1.00 10.41 C ATOM 1550 CD2 LEU A 94 -10.423 -1.810 -0.339 1.00 53.22 C ATOM 0 H LEU A 94 -13.615 -4.215 -3.727 1.00 35.14 H new ATOM 0 HA LEU A 94 -12.341 -2.602 -2.907 1.00 73.45 H new ATOM 0 HB2 LEU A 94 -13.399 -3.560 -0.708 1.00 22.11 H new ATOM 0 HB3 LEU A 94 -11.791 -4.182 -0.394 1.00 22.11 H new ATOM 0 HG LEU A 94 -12.410 -1.254 -0.884 1.00 71.10 H new ATOM 0 HD11 LEU A 94 -12.138 -0.973 1.573 1.00 10.41 H new ATOM 0 HD12 LEU A 94 -13.517 -2.023 1.172 1.00 10.41 H new ATOM 0 HD13 LEU A 94 -11.991 -2.738 1.744 1.00 10.41 H new ATOM 0 HD21 LEU A 94 -10.183 -0.845 0.107 1.00 53.22 H new ATOM 0 HD22 LEU A 94 -9.919 -2.601 0.216 1.00 53.22 H new ATOM 0 HD23 LEU A 94 -10.088 -1.824 -1.376 1.00 53.22 H new ATOM 1562 N GLY A 95 -10.197 -3.565 -3.958 1.00 71.24 N ATOM 1563 CA GLY A 95 -8.788 -3.701 -4.330 1.00 13.01 C ATOM 1564 C GLY A 95 -8.373 -5.129 -4.692 1.00 15.21 C ATOM 1565 O GLY A 95 -7.592 -5.337 -5.621 1.00 52.01 O ATOM 0 H GLY A 95 -10.800 -3.219 -4.705 1.00 71.24 H new ATOM 0 HA2 GLY A 95 -8.583 -3.048 -5.178 1.00 13.01 H new ATOM 0 HA3 GLY A 95 -8.170 -3.353 -3.503 1.00 13.01 H new ATOM 1569 N VAL A 96 -8.884 -6.111 -3.951 1.00 10.33 N ATOM 1570 CA VAL A 96 -8.517 -7.514 -4.169 1.00 34.14 C ATOM 1571 C VAL A 96 -9.289 -8.127 -5.344 1.00 12.42 C ATOM 1572 O VAL A 96 -10.511 -8.235 -5.306 1.00 12.05 O ATOM 1573 CB VAL A 96 -8.795 -8.379 -2.920 1.00 24.14 C ATOM 1574 CG1 VAL A 96 -8.046 -9.710 -2.996 1.00 1.35 C ATOM 1575 CG2 VAL A 96 -8.460 -7.620 -1.637 1.00 42.23 C ATOM 0 H VAL A 96 -9.553 -5.964 -3.195 1.00 10.33 H new ATOM 0 HA VAL A 96 -7.449 -7.511 -4.388 1.00 34.14 H new ATOM 0 HB VAL A 96 -9.862 -8.603 -2.898 1.00 24.14 H new ATOM 0 HG11 VAL A 96 -8.260 -10.299 -2.104 1.00 1.35 H new ATOM 0 HG12 VAL A 96 -8.369 -10.260 -3.880 1.00 1.35 H new ATOM 0 HG13 VAL A 96 -6.974 -9.521 -3.058 1.00 1.35 H new ATOM 0 HG21 VAL A 96 -8.666 -8.254 -0.775 1.00 42.23 H new ATOM 0 HG22 VAL A 96 -7.405 -7.345 -1.642 1.00 42.23 H new ATOM 0 HG23 VAL A 96 -9.070 -6.718 -1.578 1.00 42.23 H new ATOM 1585 N LYS A 97 -8.552 -8.540 -6.364 1.00 54.13 N ATOM 1586 CA LYS A 97 -9.121 -9.219 -7.540 1.00 10.32 C ATOM 1587 C LYS A 97 -8.069 -9.434 -8.635 1.00 12.54 C ATOM 1588 O LYS A 97 -7.132 -8.650 -8.782 1.00 24.11 O ATOM 1589 CB LYS A 97 -10.304 -8.437 -8.144 1.00 44.32 C ATOM 1590 CG LYS A 97 -10.923 -9.136 -9.354 1.00 61.53 C ATOM 1591 CD LYS A 97 -12.103 -8.371 -9.939 1.00 54.30 C ATOM 1592 CE LYS A 97 -12.692 -9.102 -11.142 1.00 1.11 C ATOM 1593 NZ LYS A 97 -11.750 -9.147 -12.295 1.00 1.30 N ATOM 0 H LYS A 97 -7.540 -8.418 -6.409 1.00 54.13 H new ATOM 0 HA LYS A 97 -9.477 -10.185 -7.182 1.00 10.32 H new ATOM 0 HB2 LYS A 97 -11.069 -8.298 -7.380 1.00 44.32 H new ATOM 0 HB3 LYS A 97 -9.964 -7.444 -8.439 1.00 44.32 H new ATOM 0 HG2 LYS A 97 -10.161 -9.263 -10.123 1.00 61.53 H new ATOM 0 HG3 LYS A 97 -11.251 -10.134 -9.063 1.00 61.53 H new ATOM 0 HD2 LYS A 97 -12.871 -8.243 -9.176 1.00 54.30 H new ATOM 0 HD3 LYS A 97 -11.781 -7.373 -10.238 1.00 54.30 H new ATOM 0 HE2 LYS A 97 -12.956 -10.119 -10.852 1.00 1.11 H new ATOM 0 HE3 LYS A 97 -13.614 -8.608 -11.448 1.00 1.11 H new ATOM 0 HZ1 LYS A 97 -12.219 -9.593 -13.109 1.00 1.30 H new ATOM 0 HZ2 LYS A 97 -11.464 -8.180 -12.547 1.00 1.30 H new ATOM 0 HZ3 LYS A 97 -10.909 -9.700 -12.035 1.00 1.30 H new ATOM 1607 N LEU A 98 -8.240 -10.502 -9.406 1.00 0.11 N ATOM 1608 CA LEU A 98 -7.409 -10.750 -10.584 1.00 43.02 C ATOM 1609 C LEU A 98 -7.975 -9.999 -11.802 1.00 4.02 C ATOM 1610 O LEU A 98 -9.132 -10.203 -12.187 1.00 1.20 O ATOM 1611 CB LEU A 98 -7.352 -12.255 -10.878 1.00 70.10 C ATOM 1612 CG LEU A 98 -6.857 -13.135 -9.718 1.00 21.00 C ATOM 1613 CD1 LEU A 98 -6.935 -14.615 -10.088 1.00 43.12 C ATOM 1614 CD2 LEU A 98 -5.433 -12.749 -9.319 1.00 53.12 C ATOM 0 H LEU A 98 -8.950 -11.215 -9.237 1.00 0.11 H new ATOM 0 HA LEU A 98 -6.401 -10.387 -10.385 1.00 43.02 H new ATOM 0 HB2 LEU A 98 -8.349 -12.590 -11.166 1.00 70.10 H new ATOM 0 HB3 LEU A 98 -6.701 -12.416 -11.737 1.00 70.10 H new ATOM 0 HG LEU A 98 -7.509 -12.967 -8.860 1.00 21.00 H new ATOM 0 HD11 LEU A 98 -6.580 -15.218 -9.252 1.00 43.12 H new ATOM 0 HD12 LEU A 98 -7.968 -14.880 -10.313 1.00 43.12 H new ATOM 0 HD13 LEU A 98 -6.313 -14.805 -10.963 1.00 43.12 H new ATOM 0 HD21 LEU A 98 -5.101 -13.383 -8.497 1.00 53.12 H new ATOM 0 HD22 LEU A 98 -4.767 -12.882 -10.172 1.00 53.12 H new ATOM 0 HD23 LEU A 98 -5.414 -11.706 -9.003 1.00 53.12 H new ATOM 1626 N GLU A 99 -7.177 -9.112 -12.395 1.00 14.55 N ATOM 1627 CA GLU A 99 -7.614 -8.356 -13.576 1.00 64.23 C ATOM 1628 C GLU A 99 -7.103 -8.996 -14.876 1.00 30.24 C ATOM 1629 O GLU A 99 -7.790 -8.974 -15.901 1.00 52.31 O ATOM 1630 CB GLU A 99 -7.125 -6.896 -13.496 1.00 21.04 C ATOM 1631 CG GLU A 99 -7.617 -6.024 -14.652 1.00 70.34 C ATOM 1632 CD GLU A 99 -7.030 -4.615 -14.649 1.00 31.43 C ATOM 1633 OE1 GLU A 99 -7.634 -3.715 -14.032 1.00 33.32 O ATOM 1634 OE2 GLU A 99 -5.978 -4.401 -15.293 1.00 32.45 O ATOM 0 H GLU A 99 -6.230 -8.898 -12.082 1.00 14.55 H new ATOM 0 HA GLU A 99 -8.704 -8.374 -13.587 1.00 64.23 H new ATOM 0 HB2 GLU A 99 -7.460 -6.460 -12.555 1.00 21.04 H new ATOM 0 HB3 GLU A 99 -6.035 -6.886 -13.482 1.00 21.04 H new ATOM 0 HG2 GLU A 99 -7.367 -6.511 -15.595 1.00 70.34 H new ATOM 0 HG3 GLU A 99 -8.704 -5.956 -14.607 1.00 70.34 H new ATOM 1641 N HIS A 100 -5.896 -9.575 -14.819 1.00 32.54 N ATOM 1642 CA HIS A 100 -5.208 -10.097 -16.013 1.00 45.32 C ATOM 1643 C HIS A 100 -4.940 -8.969 -17.024 1.00 43.34 C ATOM 1644 O HIS A 100 -4.664 -9.221 -18.197 1.00 33.02 O ATOM 1645 CB HIS A 100 -6.026 -11.222 -16.670 1.00 12.40 C ATOM 1646 CG HIS A 100 -6.118 -12.469 -15.841 1.00 44.43 C ATOM 1647 ND1 HIS A 100 -5.945 -13.732 -16.361 1.00 63.11 N ATOM 1648 CD2 HIS A 100 -6.368 -12.646 -14.521 1.00 33.24 C ATOM 1649 CE1 HIS A 100 -6.083 -14.626 -15.406 1.00 43.01 C ATOM 1650 NE2 HIS A 100 -6.340 -13.997 -14.277 1.00 24.33 N ATOM 0 H HIS A 100 -5.371 -9.695 -13.953 1.00 32.54 H new ATOM 0 HA HIS A 100 -4.251 -10.510 -15.695 1.00 45.32 H new ATOM 0 HB2 HIS A 100 -7.033 -10.856 -16.871 1.00 12.40 H new ATOM 0 HB3 HIS A 100 -5.578 -11.469 -17.633 1.00 12.40 H new ATOM 0 HD2 HIS A 100 -6.555 -11.868 -13.795 1.00 33.24 H new ATOM 0 HE1 HIS A 100 -6.000 -15.696 -15.527 1.00 43.01 H new ATOM 0 HE2 HIS A 100 -6.493 -14.440 -13.371 1.00 24.33 H new ATOM 1659 N HIS A 101 -4.992 -7.731 -16.532 1.00 5.40 N ATOM 1660 CA HIS A 101 -4.938 -6.533 -17.370 1.00 32.22 C ATOM 1661 C HIS A 101 -6.035 -6.583 -18.447 1.00 52.32 C ATOM 1662 O HIS A 101 -5.804 -6.997 -19.588 1.00 52.34 O ATOM 1663 CB HIS A 101 -3.542 -6.336 -17.983 1.00 33.02 C ATOM 1664 CG HIS A 101 -3.099 -4.902 -17.971 1.00 32.34 C ATOM 1665 ND1 HIS A 101 -3.661 -3.954 -17.139 1.00 40.10 N ATOM 1666 CD2 HIS A 101 -2.146 -4.253 -18.680 1.00 35.50 C ATOM 1667 CE1 HIS A 101 -3.076 -2.794 -17.338 1.00 71.00 C ATOM 1668 NE2 HIS A 101 -2.152 -2.946 -18.265 1.00 11.30 N ATOM 0 H HIS A 101 -5.073 -7.530 -15.535 1.00 5.40 H new ATOM 0 HA HIS A 101 -5.128 -5.665 -16.739 1.00 32.22 H new ATOM 0 HB2 HIS A 101 -2.820 -6.939 -17.433 1.00 33.02 H new ATOM 0 HB3 HIS A 101 -3.546 -6.702 -19.010 1.00 33.02 H new ATOM 0 HD2 HIS A 101 -1.501 -4.684 -19.432 1.00 35.50 H new ATOM 0 HE1 HIS A 101 -3.313 -1.872 -16.828 1.00 71.00 H new ATOM 0 HE2 HIS A 101 -1.540 -2.210 -18.617 1.00 11.30 H new ATOM 1677 N HIS A 102 -7.231 -6.158 -18.052 1.00 73.53 N ATOM 1678 CA HIS A 102 -8.443 -6.338 -18.851 1.00 63.40 C ATOM 1679 C HIS A 102 -8.438 -5.499 -20.142 1.00 51.34 C ATOM 1680 O HIS A 102 -8.486 -4.269 -20.101 1.00 71.23 O ATOM 1681 CB HIS A 102 -9.665 -5.986 -17.990 1.00 71.40 C ATOM 1682 CG HIS A 102 -10.976 -6.212 -18.672 1.00 3.22 C ATOM 1683 ND1 HIS A 102 -11.844 -5.191 -18.977 1.00 2.12 N ATOM 1684 CD2 HIS A 102 -11.575 -7.350 -19.096 1.00 44.30 C ATOM 1685 CE1 HIS A 102 -12.914 -5.682 -19.557 1.00 54.42 C ATOM 1686 NE2 HIS A 102 -12.780 -6.988 -19.643 1.00 24.11 N ATOM 0 H HIS A 102 -7.390 -5.677 -17.166 1.00 73.53 H new ATOM 0 HA HIS A 102 -8.485 -7.382 -19.163 1.00 63.40 H new ATOM 0 HB2 HIS A 102 -9.636 -6.579 -17.076 1.00 71.40 H new ATOM 0 HB3 HIS A 102 -9.598 -4.939 -17.693 1.00 71.40 H new ATOM 0 HD2 HIS A 102 -11.179 -8.352 -19.018 1.00 44.30 H new ATOM 0 HE1 HIS A 102 -13.762 -5.110 -19.905 1.00 54.42 H new ATOM 0 HE2 HIS A 102 -13.462 -7.628 -20.050 1.00 24.11 H new ATOM 1695 N HIS A 103 -8.389 -6.183 -21.286 1.00 23.44 N ATOM 1696 CA HIS A 103 -8.461 -5.533 -22.597 1.00 21.23 C ATOM 1697 C HIS A 103 -9.669 -6.036 -23.399 1.00 62.44 C ATOM 1698 O HIS A 103 -9.662 -7.154 -23.916 1.00 3.42 O ATOM 1699 CB HIS A 103 -7.177 -5.792 -23.397 1.00 43.43 C ATOM 1700 CG HIS A 103 -5.960 -5.147 -22.815 1.00 1.24 C ATOM 1701 ND1 HIS A 103 -5.102 -5.790 -21.949 1.00 21.13 N ATOM 1702 CD2 HIS A 103 -5.451 -3.906 -22.989 1.00 34.12 C ATOM 1703 CE1 HIS A 103 -4.123 -4.976 -21.619 1.00 52.15 C ATOM 1704 NE2 HIS A 103 -4.311 -3.829 -22.235 1.00 25.22 N ATOM 0 H HIS A 103 -8.299 -7.198 -21.331 1.00 23.44 H new ATOM 0 HA HIS A 103 -8.573 -4.462 -22.427 1.00 21.23 H new ATOM 0 HB2 HIS A 103 -7.011 -6.867 -23.461 1.00 43.43 H new ATOM 0 HB3 HIS A 103 -7.316 -5.430 -24.416 1.00 43.43 H new ATOM 0 HD1 HIS A 103 -5.210 -6.748 -21.616 1.00 21.13 H new ATOM 0 HD2 HIS A 103 -5.866 -3.123 -23.607 1.00 34.12 H new ATOM 0 HE1 HIS A 103 -3.304 -5.210 -20.955 1.00 52.15 H new ATOM 1713 N HIS A 104 -10.712 -5.216 -23.479 1.00 65.23 N ATOM 1714 CA HIS A 104 -11.869 -5.513 -24.330 1.00 30.00 C ATOM 1715 C HIS A 104 -11.686 -4.844 -25.700 1.00 33.23 C ATOM 1716 O HIS A 104 -12.049 -5.397 -26.742 1.00 4.03 O ATOM 1717 CB HIS A 104 -13.165 -5.031 -23.662 1.00 62.21 C ATOM 1718 CG HIS A 104 -14.407 -5.355 -24.439 1.00 65.51 C ATOM 1719 ND1 HIS A 104 -15.096 -4.425 -25.190 1.00 13.54 N ATOM 1720 CD2 HIS A 104 -15.089 -6.518 -24.576 1.00 10.14 C ATOM 1721 CE1 HIS A 104 -16.142 -4.998 -25.749 1.00 12.44 C ATOM 1722 NE2 HIS A 104 -16.158 -6.265 -25.394 1.00 74.41 N ATOM 0 H HIS A 104 -10.784 -4.338 -22.965 1.00 65.23 H new ATOM 0 HA HIS A 104 -11.942 -6.592 -24.469 1.00 30.00 H new ATOM 0 HB2 HIS A 104 -13.240 -5.480 -22.672 1.00 62.21 H new ATOM 0 HB3 HIS A 104 -13.109 -3.952 -23.519 1.00 62.21 H new ATOM 0 HD2 HIS A 104 -14.837 -7.466 -24.125 1.00 10.14 H new ATOM 0 HE1 HIS A 104 -16.863 -4.511 -26.389 1.00 12.44 H new ATOM 0 HE2 HIS A 104 -16.856 -6.950 -25.682 1.00 74.41 H new ATOM 1731 N HIS A 105 -11.116 -3.644 -25.674 1.00 70.43 N ATOM 1732 CA HIS A 105 -10.741 -2.911 -26.889 1.00 61.42 C ATOM 1733 C HIS A 105 -9.357 -2.251 -26.724 1.00 32.22 C ATOM 1734 O HIS A 105 -9.265 -1.226 -26.011 1.00 37.49 O ATOM 1735 CB HIS A 105 -11.798 -1.849 -27.233 1.00 30.23 C ATOM 1736 CG HIS A 105 -11.397 -0.964 -28.375 1.00 63.42 C ATOM 1737 ND1 HIS A 105 -10.736 0.232 -28.199 1.00 42.41 N ATOM 1738 CD2 HIS A 105 -11.537 -1.116 -29.715 1.00 23.04 C ATOM 1739 CE1 HIS A 105 -10.488 0.777 -29.371 1.00 63.31 C ATOM 1740 NE2 HIS A 105 -10.963 -0.017 -30.309 1.00 12.43 N ATOM 1741 OXT HIS A 105 -8.379 -2.756 -27.309 1.00 37.49 O ATOM 0 H HIS A 105 -10.898 -3.147 -24.810 1.00 70.43 H new ATOM 0 HA HIS A 105 -10.688 -3.626 -27.710 1.00 61.42 H new ATOM 0 HB2 HIS A 105 -12.736 -2.346 -27.479 1.00 30.23 H new ATOM 0 HB3 HIS A 105 -11.985 -1.233 -26.353 1.00 30.23 H new ATOM 0 HD2 HIS A 105 -12.010 -1.945 -30.221 1.00 23.04 H new ATOM 0 HE1 HIS A 105 -9.981 1.716 -29.536 1.00 63.31 H new ATOM 0 HE2 HIS A 105 -10.913 0.156 -31.313 1.00 12.43 H new TER 1750 HIS A 105