USER MOD reduce.3.24.130724 H: found=0, std=0, add=1275, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1275 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 95 LYS NZ :NH3+ 156:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 147 TYR OH : rot -1:sc= 1.45 USER MOD Set 2.1: A 26 ASN : amide:sc= 0.199 K(o=0.2,f=-9.2!) USER MOD Set 2.2: A 49 GLN :FLIP amide:sc= 0 F(o=-2.8!,f=0.2) USER MOD Set 3.1: A 18 THR OG1 : rot -143:sc= 0.815 USER MOD Set 3.2: A 36 SER OG : rot 15:sc= -1.26 USER MOD Set 4.1: A 1 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Set 4.2: A 82 SER OG : rot -160:sc= 0 USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.756 (180deg=0.168!) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= -0.0019 (180deg=-0.0934) USER MOD Single : A 10 THR OG1 : rot 154:sc= 0.43 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0311 USER MOD Single : A 14 SER OG : rot 79:sc= 0.301 USER MOD Single : A 15 LYS NZ :NH3+ -133:sc= 1.19 (180deg=-1.41!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 20 MET CE :methyl 157:sc= -0.464 (180deg=-1.51!) USER MOD Single : A 24 TYR OH : rot 0:sc= -1.49! USER MOD Single : A 27 SER OG : rot -20:sc= 0.235 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc=-0.00597 (180deg=-0.0795) USER MOD Single : A 34 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.33) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc=-0.00887 K(o=-0.0089,f=-0.78) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0625) USER MOD Single : A 55 TYR OH : rot -141:sc= 0.321 USER MOD Single : A 58 MET CE :methyl 164:sc= -1.15 (180deg=-1.38) USER MOD Single : A 62 THR OG1 : rot 113:sc= 0.277 USER MOD Single : A 64 LYS NZ :NH3+ -117:sc= 0.439 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0.347 (180deg=0.336) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.415 USER MOD Single : A 73 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.13) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.342 X(o=0.34,f=-0.017) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.0463 (180deg=-0.328) USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0133) USER MOD Single : A 97 SER OG : rot 180:sc= -0.157 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0691 USER MOD Single : A 104 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.00049) USER MOD Single : A 114 GLN : amide:sc= -0.089 X(o=-0.089,f=-0.083) USER MOD Single : A 115 THR OG1 : rot 171:sc= 1.15 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -0.0306 K(o=-0.031,f=-0.82) USER MOD Single : A 119 TYR OH : rot -144:sc= 0.601 USER MOD Single : A 120 GLN : amide:sc= -0.415 X(o=-0.41,f=-0.15) USER MOD Single : A 122 TYR OH : rot 15:sc= -0.31 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.0437 X(o=-0.044,f=-0.19) USER MOD Single : A 136 LYS NZ :NH3+ -119:sc= 0.0543 (180deg=-0.751) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HE2:sc= 0.107 K(o=0.11,f=-0.51) USER MOD Single : A 140 GLN : amide:sc= 0.267 K(o=0.27,f=-3.7!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -3.12! C(o=-3.1!,f=-4.3!) USER MOD Single : A 155 HIS : no HD1:sc= -0.0502 X(o=-0.05,f=-0.15) USER MOD Single : A 156 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=-0.018) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.34) USER MOD Single : A 159 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 160 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.199 7.634 -2.780 1.00 54.23 N ATOM 2 CA MET A 1 -24.118 7.035 -1.790 1.00 64.30 C ATOM 3 C MET A 1 -25.203 6.186 -2.478 1.00 61.12 C ATOM 4 O MET A 1 -26.017 5.556 -1.799 1.00 34.52 O ATOM 5 CB MET A 1 -24.744 8.136 -0.888 1.00 30.22 C ATOM 6 CG MET A 1 -23.712 8.914 -0.054 1.00 23.53 C ATOM 7 SD MET A 1 -22.518 9.806 -1.082 1.00 62.33 S ATOM 8 CE MET A 1 -21.296 10.304 0.127 1.00 13.34 C ATOM 0 H1 MET A 1 -22.599 8.343 -2.312 1.00 54.23 H new ATOM 0 H2 MET A 1 -22.600 6.890 -3.192 1.00 54.23 H new ATOM 0 H3 MET A 1 -23.751 8.091 -3.534 1.00 54.23 H new ATOM 0 HA MET A 1 -23.541 6.366 -1.152 1.00 64.30 H new ATOM 0 HB2 MET A 1 -25.294 8.838 -1.515 1.00 30.22 H new ATOM 0 HB3 MET A 1 -25.467 7.674 -0.216 1.00 30.22 H new ATOM 0 HG2 MET A 1 -24.231 9.622 0.591 1.00 23.53 H new ATOM 0 HG3 MET A 1 -23.179 8.221 0.597 1.00 23.53 H new ATOM 0 HE1 MET A 1 -20.558 10.952 -0.347 1.00 13.34 H new ATOM 0 HE2 MET A 1 -21.785 10.844 0.938 1.00 13.34 H new ATOM 0 HE3 MET A 1 -20.799 9.420 0.527 1.00 13.34 H new ATOM 20 N VAL A 2 -25.221 6.167 -3.835 1.00 2.04 N ATOM 21 CA VAL A 2 -26.099 5.263 -4.624 1.00 11.20 C ATOM 22 C VAL A 2 -25.232 4.559 -5.699 1.00 75.22 C ATOM 23 O VAL A 2 -25.391 4.765 -6.910 1.00 23.25 O ATOM 24 CB VAL A 2 -27.334 6.008 -5.293 1.00 74.32 C ATOM 25 CG1 VAL A 2 -28.362 4.998 -5.872 1.00 61.52 C ATOM 26 CG2 VAL A 2 -28.025 6.988 -4.313 1.00 21.44 C ATOM 0 H VAL A 2 -24.634 6.772 -4.409 1.00 2.04 H new ATOM 0 HA VAL A 2 -26.536 4.534 -3.941 1.00 11.20 H new ATOM 0 HB VAL A 2 -26.933 6.597 -6.118 1.00 74.32 H new ATOM 0 HG11 VAL A 2 -29.193 5.542 -6.321 1.00 61.52 H new ATOM 0 HG12 VAL A 2 -27.879 4.382 -6.630 1.00 61.52 H new ATOM 0 HG13 VAL A 2 -28.737 4.361 -5.071 1.00 61.52 H new ATOM 0 HG21 VAL A 2 -28.862 7.474 -4.814 1.00 21.44 H new ATOM 0 HG22 VAL A 2 -28.390 6.438 -3.446 1.00 21.44 H new ATOM 0 HG23 VAL A 2 -27.309 7.743 -3.988 1.00 21.44 H new ATOM 36 N GLU A 3 -24.236 3.803 -5.213 1.00 53.43 N ATOM 37 CA GLU A 3 -23.341 2.968 -6.047 1.00 2.11 C ATOM 38 C GLU A 3 -23.652 1.475 -5.785 1.00 1.30 C ATOM 39 O GLU A 3 -24.351 1.166 -4.809 1.00 22.42 O ATOM 40 CB GLU A 3 -21.835 3.265 -5.734 1.00 12.23 C ATOM 41 CG GLU A 3 -21.325 4.675 -6.119 1.00 53.43 C ATOM 42 CD GLU A 3 -21.789 5.783 -5.159 1.00 62.53 C ATOM 43 OE1 GLU A 3 -21.285 5.831 -4.017 1.00 31.03 O ATOM 44 OE2 GLU A 3 -22.671 6.599 -5.518 1.00 53.42 O ATOM 0 H GLU A 3 -24.022 3.750 -4.217 1.00 53.43 H new ATOM 0 HA GLU A 3 -23.517 3.206 -7.096 1.00 2.11 H new ATOM 0 HB2 GLU A 3 -21.672 3.121 -4.666 1.00 12.23 H new ATOM 0 HB3 GLU A 3 -21.224 2.526 -6.253 1.00 12.23 H new ATOM 0 HG2 GLU A 3 -20.235 4.663 -6.146 1.00 53.43 H new ATOM 0 HG3 GLU A 3 -21.666 4.913 -7.126 1.00 53.43 H new ATOM 51 N PRO A 4 -23.175 0.514 -6.657 1.00 70.45 N ATOM 52 CA PRO A 4 -23.261 -0.933 -6.347 1.00 52.30 C ATOM 53 C PRO A 4 -22.203 -1.357 -5.297 1.00 41.31 C ATOM 54 O PRO A 4 -21.479 -0.512 -4.752 1.00 70.13 O ATOM 55 CB PRO A 4 -23.024 -1.602 -7.723 1.00 3.31 C ATOM 56 CG PRO A 4 -22.165 -0.635 -8.485 1.00 22.34 C ATOM 57 CD PRO A 4 -22.554 0.756 -7.999 1.00 70.01 C ATOM 0 HA PRO A 4 -24.212 -1.221 -5.900 1.00 52.30 H new ATOM 0 HB2 PRO A 4 -22.529 -2.567 -7.612 1.00 3.31 H new ATOM 0 HB3 PRO A 4 -23.966 -1.785 -8.240 1.00 3.31 H new ATOM 0 HG2 PRO A 4 -21.108 -0.828 -8.305 1.00 22.34 H new ATOM 0 HG3 PRO A 4 -22.328 -0.732 -9.558 1.00 22.34 H new ATOM 0 HD2 PRO A 4 -21.685 1.410 -7.924 1.00 70.01 H new ATOM 0 HD3 PRO A 4 -23.255 1.235 -8.682 1.00 70.01 H new ATOM 65 N GLY A 5 -22.121 -2.674 -5.020 1.00 61.55 N ATOM 66 CA GLY A 5 -21.189 -3.210 -4.020 1.00 73.14 C ATOM 67 C GLY A 5 -19.773 -3.378 -4.569 1.00 2.30 C ATOM 68 O GLY A 5 -19.244 -4.497 -4.633 1.00 14.40 O ATOM 0 H GLY A 5 -22.692 -3.384 -5.479 1.00 61.55 H new ATOM 0 HA2 GLY A 5 -21.164 -2.544 -3.158 1.00 73.14 H new ATOM 0 HA3 GLY A 5 -21.555 -4.174 -3.667 1.00 73.14 H new ATOM 72 N VAL A 6 -19.161 -2.252 -4.978 1.00 45.01 N ATOM 73 CA VAL A 6 -17.804 -2.217 -5.558 1.00 55.33 C ATOM 74 C VAL A 6 -16.929 -1.233 -4.763 1.00 2.43 C ATOM 75 O VAL A 6 -17.413 -0.184 -4.320 1.00 60.53 O ATOM 76 CB VAL A 6 -17.833 -1.820 -7.088 1.00 52.44 C ATOM 77 CG1 VAL A 6 -18.563 -2.897 -7.918 1.00 3.55 C ATOM 78 CG2 VAL A 6 -18.469 -0.423 -7.317 1.00 63.54 C ATOM 0 H VAL A 6 -19.597 -1.332 -4.915 1.00 45.01 H new ATOM 0 HA VAL A 6 -17.378 -3.218 -5.491 1.00 55.33 H new ATOM 0 HB VAL A 6 -16.798 -1.762 -7.426 1.00 52.44 H new ATOM 0 HG11 VAL A 6 -18.571 -2.604 -8.968 1.00 3.55 H new ATOM 0 HG12 VAL A 6 -18.046 -3.851 -7.812 1.00 3.55 H new ATOM 0 HG13 VAL A 6 -19.588 -2.998 -7.561 1.00 3.55 H new ATOM 0 HG21 VAL A 6 -18.467 -0.193 -8.382 1.00 63.54 H new ATOM 0 HG22 VAL A 6 -19.495 -0.425 -6.948 1.00 63.54 H new ATOM 0 HG23 VAL A 6 -17.892 0.331 -6.782 1.00 63.54 H new ATOM 88 N ALA A 7 -15.645 -1.593 -4.571 1.00 74.01 N ATOM 89 CA ALA A 7 -14.684 -0.776 -3.806 1.00 34.21 C ATOM 90 C ALA A 7 -13.242 -1.173 -4.184 1.00 40.12 C ATOM 91 O ALA A 7 -12.798 -2.286 -3.884 1.00 64.31 O ATOM 92 CB ALA A 7 -14.930 -0.936 -2.298 1.00 54.20 C ATOM 0 H ALA A 7 -15.246 -2.456 -4.941 1.00 74.01 H new ATOM 0 HA ALA A 7 -14.825 0.275 -4.056 1.00 34.21 H new ATOM 0 HB1 ALA A 7 -14.214 -0.328 -1.746 1.00 54.20 H new ATOM 0 HB2 ALA A 7 -15.943 -0.612 -2.058 1.00 54.20 H new ATOM 0 HB3 ALA A 7 -14.809 -1.983 -2.019 1.00 54.20 H new ATOM 98 N LYS A 8 -12.553 -0.261 -4.892 1.00 2.22 N ATOM 99 CA LYS A 8 -11.169 -0.454 -5.377 1.00 13.42 C ATOM 100 C LYS A 8 -10.580 0.909 -5.792 1.00 74.41 C ATOM 101 O LYS A 8 -11.260 1.940 -5.720 1.00 23.45 O ATOM 102 CB LYS A 8 -11.108 -1.466 -6.581 1.00 22.14 C ATOM 103 CG LYS A 8 -11.786 -1.007 -7.911 1.00 21.21 C ATOM 104 CD LYS A 8 -13.335 -0.972 -7.854 1.00 2.33 C ATOM 105 CE LYS A 8 -13.958 -2.372 -7.664 1.00 32.34 C ATOM 106 NZ LYS A 8 -13.644 -3.281 -8.795 1.00 43.44 N ATOM 0 H LYS A 8 -12.945 0.645 -5.149 1.00 2.22 H new ATOM 0 HA LYS A 8 -10.578 -0.881 -4.566 1.00 13.42 H new ATOM 0 HB2 LYS A 8 -10.061 -1.685 -6.790 1.00 22.14 H new ATOM 0 HB3 LYS A 8 -11.573 -2.400 -6.266 1.00 22.14 H new ATOM 0 HG2 LYS A 8 -11.420 -0.013 -8.168 1.00 21.21 H new ATOM 0 HG3 LYS A 8 -11.478 -1.677 -8.713 1.00 21.21 H new ATOM 0 HD2 LYS A 8 -13.649 -0.325 -7.035 1.00 2.33 H new ATOM 0 HD3 LYS A 8 -13.718 -0.531 -8.774 1.00 2.33 H new ATOM 0 HE2 LYS A 8 -13.590 -2.809 -6.735 1.00 32.34 H new ATOM 0 HE3 LYS A 8 -15.039 -2.277 -7.565 1.00 32.34 H new ATOM 0 HZ1 LYS A 8 -14.202 -4.154 -8.704 1.00 43.44 H new ATOM 0 HZ2 LYS A 8 -13.879 -2.812 -9.693 1.00 43.44 H new ATOM 0 HZ3 LYS A 8 -12.631 -3.515 -8.781 1.00 43.44 H new ATOM 120 N LEU A 9 -9.315 0.898 -6.232 1.00 31.43 N ATOM 121 CA LEU A 9 -8.632 2.091 -6.767 1.00 45.41 C ATOM 122 C LEU A 9 -8.391 1.897 -8.272 1.00 34.15 C ATOM 123 O LEU A 9 -8.264 0.756 -8.746 1.00 31.33 O ATOM 124 CB LEU A 9 -7.290 2.329 -6.022 1.00 22.15 C ATOM 125 CG LEU A 9 -6.498 3.629 -6.392 1.00 64.33 C ATOM 126 CD1 LEU A 9 -7.358 4.894 -6.196 1.00 70.11 C ATOM 127 CD2 LEU A 9 -5.193 3.725 -5.580 1.00 61.54 C ATOM 0 H LEU A 9 -8.732 0.061 -6.228 1.00 31.43 H new ATOM 0 HA LEU A 9 -9.259 2.969 -6.613 1.00 45.41 H new ATOM 0 HB2 LEU A 9 -7.495 2.349 -4.952 1.00 22.15 H new ATOM 0 HB3 LEU A 9 -6.642 1.472 -6.207 1.00 22.15 H new ATOM 0 HG LEU A 9 -6.242 3.566 -7.450 1.00 64.33 H new ATOM 0 HD11 LEU A 9 -6.775 5.775 -6.463 1.00 70.11 H new ATOM 0 HD12 LEU A 9 -8.240 4.836 -6.833 1.00 70.11 H new ATOM 0 HD13 LEU A 9 -7.668 4.966 -5.153 1.00 70.11 H new ATOM 0 HD21 LEU A 9 -4.660 4.636 -5.854 1.00 61.54 H new ATOM 0 HD22 LEU A 9 -5.428 3.748 -4.516 1.00 61.54 H new ATOM 0 HD23 LEU A 9 -4.566 2.859 -5.795 1.00 61.54 H new ATOM 139 N THR A 10 -8.360 3.017 -9.013 1.00 44.22 N ATOM 140 CA THR A 10 -8.011 3.033 -10.437 1.00 54.44 C ATOM 141 C THR A 10 -6.580 2.505 -10.640 1.00 74.33 C ATOM 142 O THR A 10 -5.653 2.932 -9.929 1.00 72.12 O ATOM 143 CB THR A 10 -8.119 4.473 -11.011 1.00 51.32 C ATOM 144 OG1 THR A 10 -7.273 5.360 -10.259 1.00 14.03 O ATOM 145 CG2 THR A 10 -9.563 4.998 -10.978 1.00 11.31 C ATOM 0 H THR A 10 -8.578 3.939 -8.636 1.00 44.22 H new ATOM 0 HA THR A 10 -8.712 2.388 -10.966 1.00 54.44 H new ATOM 0 HB THR A 10 -7.798 4.437 -12.052 1.00 51.32 H new ATOM 0 HG1 THR A 10 -7.008 6.116 -10.823 1.00 14.03 H new ATOM 0 HG21 THR A 10 -9.593 6.007 -11.388 1.00 11.31 H new ATOM 0 HG22 THR A 10 -10.201 4.345 -11.574 1.00 11.31 H new ATOM 0 HG23 THR A 10 -9.921 5.014 -9.949 1.00 11.31 H new ATOM 153 N THR A 11 -6.419 1.584 -11.605 1.00 50.12 N ATOM 154 CA THR A 11 -5.149 0.895 -11.854 1.00 4.43 C ATOM 155 C THR A 11 -4.017 1.880 -12.219 1.00 20.34 C ATOM 156 O THR A 11 -2.897 1.676 -11.773 1.00 44.15 O ATOM 157 CB THR A 11 -5.298 -0.207 -12.958 1.00 73.41 C ATOM 158 OG1 THR A 11 -5.841 0.367 -14.161 1.00 44.33 O ATOM 159 CG2 THR A 11 -6.198 -1.371 -12.484 1.00 60.11 C ATOM 0 H THR A 11 -7.170 1.298 -12.234 1.00 50.12 H new ATOM 0 HA THR A 11 -4.873 0.405 -10.920 1.00 4.43 H new ATOM 0 HB THR A 11 -4.305 -0.608 -13.159 1.00 73.41 H new ATOM 0 HG1 THR A 11 -5.929 -0.329 -14.845 1.00 44.33 H new ATOM 0 HG21 THR A 11 -6.278 -2.115 -13.276 1.00 60.11 H new ATOM 0 HG22 THR A 11 -5.762 -1.830 -11.597 1.00 60.11 H new ATOM 0 HG23 THR A 11 -7.190 -0.989 -12.244 1.00 60.11 H new ATOM 167 N TYR A 12 -4.340 2.980 -12.957 1.00 31.31 N ATOM 168 CA TYR A 12 -3.323 3.966 -13.409 1.00 14.12 C ATOM 169 C TYR A 12 -2.556 4.600 -12.225 1.00 24.43 C ATOM 170 O TYR A 12 -1.340 4.833 -12.307 1.00 41.23 O ATOM 171 CB TYR A 12 -3.947 5.064 -14.338 1.00 10.21 C ATOM 172 CG TYR A 12 -5.056 5.972 -13.737 1.00 55.14 C ATOM 173 CD1 TYR A 12 -4.767 6.971 -12.803 1.00 53.11 C ATOM 174 CD2 TYR A 12 -6.387 5.850 -14.140 1.00 61.14 C ATOM 175 CE1 TYR A 12 -5.752 7.793 -12.295 1.00 11.44 C ATOM 176 CE2 TYR A 12 -7.375 6.680 -13.640 1.00 54.14 C ATOM 177 CZ TYR A 12 -7.052 7.648 -12.715 1.00 63.31 C ATOM 178 OH TYR A 12 -8.028 8.489 -12.218 1.00 52.12 O ATOM 0 H TYR A 12 -5.292 3.203 -13.249 1.00 31.31 H new ATOM 0 HA TYR A 12 -2.595 3.411 -14.001 1.00 14.12 H new ATOM 0 HB2 TYR A 12 -3.139 5.707 -14.687 1.00 10.21 H new ATOM 0 HB3 TYR A 12 -4.360 4.566 -15.216 1.00 10.21 H new ATOM 0 HD1 TYR A 12 -3.748 7.103 -12.471 1.00 53.11 H new ATOM 0 HD2 TYR A 12 -6.652 5.089 -14.859 1.00 61.14 H new ATOM 0 HE1 TYR A 12 -5.501 8.550 -11.567 1.00 11.44 H new ATOM 0 HE2 TYR A 12 -8.396 6.569 -13.974 1.00 54.14 H new ATOM 0 HH TYR A 12 -8.893 8.257 -12.615 1.00 52.12 H new ATOM 188 N ALA A 13 -3.288 4.854 -11.130 1.00 11.30 N ATOM 189 CA ALA A 13 -2.735 5.439 -9.905 1.00 35.42 C ATOM 190 C ALA A 13 -1.968 4.378 -9.108 1.00 24.14 C ATOM 191 O ALA A 13 -0.943 4.674 -8.498 1.00 32.24 O ATOM 192 CB ALA A 13 -3.868 6.043 -9.071 1.00 61.23 C ATOM 0 H ALA A 13 -4.287 4.657 -11.072 1.00 11.30 H new ATOM 0 HA ALA A 13 -2.033 6.232 -10.165 1.00 35.42 H new ATOM 0 HB1 ALA A 13 -3.457 6.478 -8.160 1.00 61.23 H new ATOM 0 HB2 ALA A 13 -4.371 6.818 -9.648 1.00 61.23 H new ATOM 0 HB3 ALA A 13 -4.583 5.263 -8.810 1.00 61.23 H new ATOM 198 N SER A 14 -2.485 3.137 -9.155 1.00 10.41 N ATOM 199 CA SER A 14 -1.926 1.988 -8.434 1.00 2.14 C ATOM 200 C SER A 14 -0.573 1.525 -9.029 1.00 15.04 C ATOM 201 O SER A 14 0.284 1.032 -8.288 1.00 3.11 O ATOM 202 CB SER A 14 -2.950 0.837 -8.448 1.00 33.15 C ATOM 203 OG SER A 14 -4.171 1.233 -7.839 1.00 64.02 O ATOM 0 H SER A 14 -3.313 2.905 -9.703 1.00 10.41 H new ATOM 0 HA SER A 14 -1.726 2.293 -7.407 1.00 2.14 H new ATOM 0 HB2 SER A 14 -3.137 0.524 -9.475 1.00 33.15 H new ATOM 0 HB3 SER A 14 -2.540 -0.025 -7.922 1.00 33.15 H new ATOM 0 HG SER A 14 -4.693 1.769 -8.471 1.00 64.02 H new ATOM 209 N LYS A 15 -0.395 1.702 -10.363 1.00 72.31 N ATOM 210 CA LYS A 15 0.850 1.319 -11.071 1.00 34.01 C ATOM 211 C LYS A 15 2.008 2.215 -10.625 1.00 71.14 C ATOM 212 O LYS A 15 3.100 1.737 -10.303 1.00 24.30 O ATOM 213 CB LYS A 15 0.685 1.426 -12.618 1.00 11.22 C ATOM 214 CG LYS A 15 -0.432 0.552 -13.228 1.00 52.01 C ATOM 215 CD LYS A 15 -0.304 -0.948 -12.879 1.00 11.12 C ATOM 216 CE LYS A 15 -1.481 -1.786 -13.407 1.00 2.12 C ATOM 217 NZ LYS A 15 -1.327 -3.231 -13.080 1.00 62.23 N ATOM 0 H LYS A 15 -1.104 2.110 -10.972 1.00 72.31 H new ATOM 0 HA LYS A 15 1.065 0.281 -10.817 1.00 34.01 H new ATOM 0 HB2 LYS A 15 0.489 2.467 -12.874 1.00 11.22 H new ATOM 0 HB3 LYS A 15 1.631 1.155 -13.087 1.00 11.22 H new ATOM 0 HG2 LYS A 15 -1.398 0.916 -12.879 1.00 52.01 H new ATOM 0 HG3 LYS A 15 -0.420 0.667 -14.312 1.00 52.01 H new ATOM 0 HD2 LYS A 15 0.627 -1.335 -13.294 1.00 11.12 H new ATOM 0 HD3 LYS A 15 -0.241 -1.060 -11.797 1.00 11.12 H new ATOM 0 HE2 LYS A 15 -2.412 -1.414 -12.979 1.00 2.12 H new ATOM 0 HE3 LYS A 15 -1.557 -1.665 -14.488 1.00 2.12 H new ATOM 0 HZ1 LYS A 15 -1.521 -3.801 -13.928 1.00 62.23 H new ATOM 0 HZ2 LYS A 15 -0.356 -3.412 -12.755 1.00 62.23 H new ATOM 0 HZ3 LYS A 15 -1.997 -3.490 -12.328 1.00 62.23 H new ATOM 231 N GLN A 16 1.729 3.526 -10.611 1.00 11.02 N ATOM 232 CA GLN A 16 2.717 4.562 -10.278 1.00 54.43 C ATOM 233 C GLN A 16 2.968 4.616 -8.763 1.00 13.43 C ATOM 234 O GLN A 16 4.042 5.036 -8.323 1.00 74.52 O ATOM 235 CB GLN A 16 2.233 5.931 -10.806 1.00 0.24 C ATOM 236 CG GLN A 16 1.880 5.938 -12.312 1.00 43.41 C ATOM 237 CD GLN A 16 3.065 5.627 -13.236 1.00 4.21 C ATOM 238 OE1 GLN A 16 4.216 5.947 -12.933 1.00 22.42 O ATOM 239 NE2 GLN A 16 2.793 5.006 -14.377 1.00 61.41 N ATOM 0 H GLN A 16 0.806 3.900 -10.832 1.00 11.02 H new ATOM 0 HA GLN A 16 3.663 4.313 -10.759 1.00 54.43 H new ATOM 0 HB2 GLN A 16 1.356 6.238 -10.237 1.00 0.24 H new ATOM 0 HB3 GLN A 16 3.009 6.674 -10.622 1.00 0.24 H new ATOM 0 HG2 GLN A 16 1.091 5.208 -12.492 1.00 43.41 H new ATOM 0 HG3 GLN A 16 1.475 6.915 -12.575 1.00 43.41 H new ATOM 0 HE21 GLN A 16 1.831 4.752 -14.603 1.00 61.41 H new ATOM 0 HE22 GLN A 16 3.546 4.782 -15.028 1.00 61.41 H new ATOM 248 N ALA A 17 1.962 4.185 -7.979 1.00 3.14 N ATOM 249 CA ALA A 17 2.066 4.085 -6.517 1.00 41.55 C ATOM 250 C ALA A 17 3.098 3.021 -6.134 1.00 63.42 C ATOM 251 O ALA A 17 4.025 3.294 -5.366 1.00 2.22 O ATOM 252 CB ALA A 17 0.701 3.746 -5.894 1.00 33.44 C ATOM 0 H ALA A 17 1.055 3.897 -8.345 1.00 3.14 H new ATOM 0 HA ALA A 17 2.390 5.051 -6.129 1.00 41.55 H new ATOM 0 HB1 ALA A 17 0.802 3.677 -4.811 1.00 33.44 H new ATOM 0 HB2 ALA A 17 -0.017 4.528 -6.142 1.00 33.44 H new ATOM 0 HB3 ALA A 17 0.349 2.792 -6.287 1.00 33.44 H new ATOM 258 N THR A 18 2.932 1.814 -6.693 1.00 44.22 N ATOM 259 CA THR A 18 3.806 0.675 -6.401 1.00 51.31 C ATOM 260 C THR A 18 5.226 0.897 -6.948 1.00 42.31 C ATOM 261 O THR A 18 6.212 0.523 -6.303 1.00 52.13 O ATOM 262 CB THR A 18 3.199 -0.642 -6.965 1.00 10.11 C ATOM 263 OG1 THR A 18 2.825 -0.460 -8.336 1.00 35.13 O ATOM 264 CG2 THR A 18 1.981 -1.108 -6.160 1.00 14.51 C ATOM 0 H THR A 18 2.189 1.603 -7.359 1.00 44.22 H new ATOM 0 HA THR A 18 3.881 0.586 -5.317 1.00 51.31 H new ATOM 0 HB THR A 18 3.966 -1.413 -6.885 1.00 10.11 H new ATOM 0 HG1 THR A 18 2.000 -0.957 -8.519 1.00 35.13 H new ATOM 0 HG21 THR A 18 1.591 -2.030 -6.591 1.00 14.51 H new ATOM 0 HG22 THR A 18 2.275 -1.286 -5.126 1.00 14.51 H new ATOM 0 HG23 THR A 18 1.209 -0.339 -6.190 1.00 14.51 H new ATOM 272 N ASP A 19 5.303 1.538 -8.134 1.00 22.12 N ATOM 273 CA ASP A 19 6.578 1.944 -8.765 1.00 71.42 C ATOM 274 C ASP A 19 7.344 2.922 -7.854 1.00 51.50 C ATOM 275 O ASP A 19 8.576 2.895 -7.799 1.00 13.04 O ATOM 276 CB ASP A 19 6.304 2.596 -10.150 1.00 64.33 C ATOM 277 CG ASP A 19 7.592 3.036 -10.888 1.00 33.55 C ATOM 278 OD1 ASP A 19 8.196 2.209 -11.592 1.00 3.31 O ATOM 279 OD2 ASP A 19 7.998 4.209 -10.765 1.00 54.32 O ATOM 0 H ASP A 19 4.481 1.789 -8.683 1.00 22.12 H new ATOM 0 HA ASP A 19 7.194 1.056 -8.910 1.00 71.42 H new ATOM 0 HB2 ASP A 19 5.760 1.888 -10.775 1.00 64.33 H new ATOM 0 HB3 ASP A 19 5.658 3.463 -10.014 1.00 64.33 H new ATOM 284 N MET A 20 6.582 3.763 -7.133 1.00 21.53 N ATOM 285 CA MET A 20 7.130 4.767 -6.202 1.00 43.04 C ATOM 286 C MET A 20 7.741 4.081 -4.959 1.00 45.25 C ATOM 287 O MET A 20 8.760 4.533 -4.428 1.00 2.35 O ATOM 288 CB MET A 20 6.009 5.746 -5.763 1.00 63.45 C ATOM 289 CG MET A 20 6.495 7.100 -5.211 1.00 43.22 C ATOM 290 SD MET A 20 6.981 8.233 -6.531 1.00 34.35 S ATOM 291 CE MET A 20 5.439 8.379 -7.437 1.00 3.13 C ATOM 0 H MET A 20 5.563 3.766 -7.180 1.00 21.53 H new ATOM 0 HA MET A 20 7.916 5.322 -6.715 1.00 43.04 H new ATOM 0 HB2 MET A 20 5.358 5.933 -6.617 1.00 63.45 H new ATOM 0 HB3 MET A 20 5.402 5.258 -5.000 1.00 63.45 H new ATOM 0 HG2 MET A 20 5.703 7.555 -4.616 1.00 43.22 H new ATOM 0 HG3 MET A 20 7.341 6.937 -4.543 1.00 43.22 H new ATOM 0 HE1 MET A 20 5.437 9.310 -8.003 1.00 3.13 H new ATOM 0 HE2 MET A 20 5.338 7.537 -8.122 1.00 3.13 H new ATOM 0 HE3 MET A 20 4.604 8.378 -6.736 1.00 3.13 H new ATOM 301 N GLY A 21 7.093 2.984 -4.505 1.00 45.20 N ATOM 302 CA GLY A 21 7.539 2.247 -3.313 1.00 63.31 C ATOM 303 C GLY A 21 6.416 1.511 -2.592 1.00 33.53 C ATOM 304 O GLY A 21 6.691 0.734 -1.663 1.00 70.21 O ATOM 0 H GLY A 21 6.261 2.595 -4.949 1.00 45.20 H new ATOM 0 HA2 GLY A 21 8.303 1.527 -3.607 1.00 63.31 H new ATOM 0 HA3 GLY A 21 8.008 2.945 -2.619 1.00 63.31 H new ATOM 308 N ALA A 22 5.149 1.738 -3.014 1.00 52.54 N ATOM 309 CA ALA A 22 3.968 1.134 -2.361 1.00 72.33 C ATOM 310 C ALA A 22 3.907 -0.386 -2.581 1.00 30.45 C ATOM 311 O ALA A 22 4.486 -0.917 -3.536 1.00 52.52 O ATOM 312 CB ALA A 22 2.670 1.806 -2.839 1.00 3.34 C ATOM 0 H ALA A 22 4.921 2.338 -3.807 1.00 52.54 H new ATOM 0 HA ALA A 22 4.070 1.306 -1.289 1.00 72.33 H new ATOM 0 HB1 ALA A 22 1.817 1.343 -2.343 1.00 3.34 H new ATOM 0 HB2 ALA A 22 2.699 2.868 -2.595 1.00 3.34 H new ATOM 0 HB3 ALA A 22 2.573 1.684 -3.918 1.00 3.34 H new ATOM 318 N ILE A 23 3.199 -1.066 -1.680 1.00 54.51 N ATOM 319 CA ILE A 23 3.087 -2.535 -1.661 1.00 12.31 C ATOM 320 C ILE A 23 1.611 -2.947 -1.554 1.00 43.53 C ATOM 321 O ILE A 23 0.783 -2.184 -1.047 1.00 20.34 O ATOM 322 CB ILE A 23 3.884 -3.147 -0.440 1.00 44.12 C ATOM 323 CG1 ILE A 23 3.365 -2.534 0.909 1.00 71.01 C ATOM 324 CG2 ILE A 23 5.413 -2.941 -0.607 1.00 70.41 C ATOM 325 CD1 ILE A 23 4.019 -3.071 2.167 1.00 41.50 C ATOM 0 H ILE A 23 2.678 -0.612 -0.930 1.00 54.51 H new ATOM 0 HA ILE A 23 3.513 -2.917 -2.588 1.00 12.31 H new ATOM 0 HB ILE A 23 3.706 -4.222 -0.416 1.00 44.12 H new ATOM 0 HG12 ILE A 23 3.512 -1.454 0.877 1.00 71.01 H new ATOM 0 HG13 ILE A 23 2.291 -2.708 0.977 1.00 71.01 H new ATOM 0 HG21 ILE A 23 5.934 -3.372 0.248 1.00 70.41 H new ATOM 0 HG22 ILE A 23 5.748 -3.431 -1.521 1.00 70.41 H new ATOM 0 HG23 ILE A 23 5.632 -1.875 -0.665 1.00 70.41 H new ATOM 0 HD11 ILE A 23 3.587 -2.581 3.039 1.00 41.50 H new ATOM 0 HD12 ILE A 23 3.851 -4.146 2.234 1.00 41.50 H new ATOM 0 HD13 ILE A 23 5.090 -2.873 2.133 1.00 41.50 H new ATOM 337 N TYR A 24 1.296 -4.151 -2.040 1.00 53.24 N ATOM 338 CA TYR A 24 -0.006 -4.787 -1.812 1.00 31.05 C ATOM 339 C TYR A 24 0.141 -5.833 -0.708 1.00 13.44 C ATOM 340 O TYR A 24 0.943 -6.758 -0.838 1.00 44.54 O ATOM 341 CB TYR A 24 -0.537 -5.473 -3.091 1.00 22.33 C ATOM 342 CG TYR A 24 -1.065 -4.520 -4.160 1.00 23.21 C ATOM 343 CD1 TYR A 24 -2.319 -3.912 -4.017 1.00 43.34 C ATOM 344 CD2 TYR A 24 -0.339 -4.254 -5.321 1.00 62.43 C ATOM 345 CE1 TYR A 24 -2.824 -3.078 -4.996 1.00 1.01 C ATOM 346 CE2 TYR A 24 -0.839 -3.416 -6.292 1.00 15.35 C ATOM 347 CZ TYR A 24 -2.078 -2.834 -6.129 1.00 62.41 C ATOM 348 OH TYR A 24 -2.579 -2.020 -7.115 1.00 43.12 O ATOM 0 H TYR A 24 1.935 -4.712 -2.602 1.00 53.24 H new ATOM 0 HA TYR A 24 -0.718 -4.014 -1.522 1.00 31.05 H new ATOM 0 HB2 TYR A 24 0.264 -6.073 -3.523 1.00 22.33 H new ATOM 0 HB3 TYR A 24 -1.335 -6.161 -2.812 1.00 22.33 H new ATOM 0 HD1 TYR A 24 -2.901 -4.098 -3.126 1.00 43.34 H new ATOM 0 HD2 TYR A 24 0.629 -4.712 -5.460 1.00 62.43 H new ATOM 0 HE1 TYR A 24 -3.795 -2.621 -4.874 1.00 1.01 H new ATOM 0 HE2 TYR A 24 -0.261 -3.215 -7.182 1.00 15.35 H new ATOM 0 HH TYR A 24 -3.469 -1.701 -6.855 1.00 43.12 H new ATOM 358 N VAL A 25 -0.636 -5.669 0.365 1.00 15.31 N ATOM 359 CA VAL A 25 -0.755 -6.661 1.448 1.00 15.13 C ATOM 360 C VAL A 25 -2.179 -7.243 1.437 1.00 63.55 C ATOM 361 O VAL A 25 -3.009 -6.839 0.628 1.00 51.33 O ATOM 362 CB VAL A 25 -0.417 -6.029 2.855 1.00 52.42 C ATOM 363 CG1 VAL A 25 1.029 -5.477 2.888 1.00 73.21 C ATOM 364 CG2 VAL A 25 -1.438 -4.939 3.272 1.00 45.14 C ATOM 0 H VAL A 25 -1.208 -4.837 0.513 1.00 15.31 H new ATOM 0 HA VAL A 25 -0.032 -7.458 1.277 1.00 15.13 H new ATOM 0 HB VAL A 25 -0.492 -6.833 3.587 1.00 52.42 H new ATOM 0 HG11 VAL A 25 1.232 -5.048 3.869 1.00 73.21 H new ATOM 0 HG12 VAL A 25 1.732 -6.287 2.693 1.00 73.21 H new ATOM 0 HG13 VAL A 25 1.142 -4.707 2.125 1.00 73.21 H new ATOM 0 HG21 VAL A 25 -1.162 -4.535 4.246 1.00 45.14 H new ATOM 0 HG22 VAL A 25 -1.436 -4.137 2.533 1.00 45.14 H new ATOM 0 HG23 VAL A 25 -2.434 -5.377 3.330 1.00 45.14 H new ATOM 374 N ASN A 26 -2.439 -8.224 2.302 1.00 2.22 N ATOM 375 CA ASN A 26 -3.795 -8.801 2.485 1.00 43.35 C ATOM 376 C ASN A 26 -4.392 -8.308 3.813 1.00 20.41 C ATOM 377 O ASN A 26 -3.825 -7.418 4.462 1.00 24.25 O ATOM 378 CB ASN A 26 -3.723 -10.356 2.432 1.00 72.12 C ATOM 379 CG ASN A 26 -2.890 -10.988 3.550 1.00 0.33 C ATOM 380 OD1 ASN A 26 -1.995 -10.376 4.111 1.00 15.12 O ATOM 381 ND2 ASN A 26 -3.173 -12.233 3.868 1.00 12.31 N ATOM 0 H ASN A 26 -1.728 -8.647 2.898 1.00 2.22 H new ATOM 0 HA ASN A 26 -4.448 -8.470 1.677 1.00 43.35 H new ATOM 0 HB2 ASN A 26 -4.736 -10.756 2.479 1.00 72.12 H new ATOM 0 HB3 ASN A 26 -3.306 -10.656 1.471 1.00 72.12 H new ATOM 0 HD21 ASN A 26 -2.640 -12.707 4.597 1.00 12.31 H new ATOM 0 HD22 ASN A 26 -3.925 -12.724 3.385 1.00 12.31 H new ATOM 388 N SER A 27 -5.536 -8.902 4.217 1.00 64.41 N ATOM 389 CA SER A 27 -6.229 -8.575 5.482 1.00 64.32 C ATOM 390 C SER A 27 -5.431 -9.050 6.729 1.00 3.22 C ATOM 391 O SER A 27 -5.815 -8.760 7.871 1.00 62.31 O ATOM 392 CB SER A 27 -7.655 -9.176 5.458 1.00 71.30 C ATOM 393 OG SER A 27 -8.405 -8.839 6.610 1.00 4.21 O ATOM 0 H SER A 27 -6.007 -9.625 3.672 1.00 64.41 H new ATOM 0 HA SER A 27 -6.301 -7.490 5.564 1.00 64.32 H new ATOM 0 HB2 SER A 27 -8.180 -8.822 4.571 1.00 71.30 H new ATOM 0 HB3 SER A 27 -7.587 -10.261 5.377 1.00 71.30 H new ATOM 0 HG SER A 27 -7.796 -8.572 7.330 1.00 4.21 H new ATOM 399 N LYS A 28 -4.312 -9.770 6.500 1.00 14.22 N ATOM 400 CA LYS A 28 -3.348 -10.135 7.557 1.00 43.12 C ATOM 401 C LYS A 28 -2.208 -9.107 7.616 1.00 74.15 C ATOM 402 O LYS A 28 -1.719 -8.784 8.686 1.00 22.04 O ATOM 403 CB LYS A 28 -2.770 -11.552 7.307 1.00 63.24 C ATOM 404 CG LYS A 28 -3.841 -12.650 7.170 1.00 13.23 C ATOM 405 CD LYS A 28 -4.762 -12.750 8.411 1.00 52.22 C ATOM 406 CE LYS A 28 -5.873 -13.800 8.236 1.00 65.54 C ATOM 407 NZ LYS A 28 -5.319 -15.155 7.992 1.00 75.51 N ATOM 0 H LYS A 28 -4.052 -10.114 5.576 1.00 14.22 H new ATOM 0 HA LYS A 28 -3.874 -10.138 8.512 1.00 43.12 H new ATOM 0 HB2 LYS A 28 -2.167 -11.532 6.400 1.00 63.24 H new ATOM 0 HB3 LYS A 28 -2.102 -11.811 8.128 1.00 63.24 H new ATOM 0 HG2 LYS A 28 -4.449 -12.450 6.288 1.00 13.23 H new ATOM 0 HG3 LYS A 28 -3.351 -13.610 7.009 1.00 13.23 H new ATOM 0 HD2 LYS A 28 -4.162 -13.002 9.285 1.00 52.22 H new ATOM 0 HD3 LYS A 28 -5.213 -11.777 8.604 1.00 52.22 H new ATOM 0 HE2 LYS A 28 -6.499 -13.819 9.128 1.00 65.54 H new ATOM 0 HE3 LYS A 28 -6.515 -13.514 7.402 1.00 65.54 H new ATOM 0 HZ1 LYS A 28 -6.089 -15.854 8.014 1.00 75.51 H new ATOM 0 HZ2 LYS A 28 -4.857 -15.179 7.061 1.00 75.51 H new ATOM 0 HZ3 LYS A 28 -4.623 -15.383 8.730 1.00 75.51 H new ATOM 421 N GLY A 29 -1.810 -8.579 6.455 1.00 2.33 N ATOM 422 CA GLY A 29 -0.687 -7.634 6.368 1.00 73.35 C ATOM 423 C GLY A 29 0.531 -8.227 5.686 1.00 14.23 C ATOM 424 O GLY A 29 1.544 -7.545 5.531 1.00 1.52 O ATOM 0 H GLY A 29 -2.249 -8.789 5.558 1.00 2.33 H new ATOM 0 HA2 GLY A 29 -1.007 -6.746 5.822 1.00 73.35 H new ATOM 0 HA3 GLY A 29 -0.413 -7.309 7.372 1.00 73.35 H new ATOM 428 N ASP A 30 0.420 -9.502 5.287 1.00 12.43 N ATOM 429 CA ASP A 30 1.418 -10.196 4.461 1.00 45.33 C ATOM 430 C ASP A 30 1.372 -9.629 3.034 1.00 52.43 C ATOM 431 O ASP A 30 0.309 -9.660 2.395 1.00 41.23 O ATOM 432 CB ASP A 30 1.119 -11.733 4.455 1.00 21.14 C ATOM 433 CG ASP A 30 1.878 -12.555 3.380 1.00 51.33 C ATOM 434 OD1 ASP A 30 3.089 -12.327 3.168 1.00 41.32 O ATOM 435 OD2 ASP A 30 1.263 -13.440 2.747 1.00 70.11 O ATOM 0 H ASP A 30 -0.377 -10.089 5.533 1.00 12.43 H new ATOM 0 HA ASP A 30 2.416 -10.041 4.872 1.00 45.33 H new ATOM 0 HB2 ASP A 30 1.364 -12.137 5.437 1.00 21.14 H new ATOM 0 HB3 ASP A 30 0.048 -11.877 4.309 1.00 21.14 H new ATOM 440 N ARG A 31 2.514 -9.067 2.576 1.00 34.34 N ATOM 441 CA ARG A 31 2.679 -8.593 1.194 1.00 75.40 C ATOM 442 C ARG A 31 2.408 -9.745 0.197 1.00 25.04 C ATOM 443 O ARG A 31 3.139 -10.738 0.157 1.00 31.10 O ATOM 444 CB ARG A 31 4.073 -7.924 0.939 1.00 34.42 C ATOM 445 CG ARG A 31 5.351 -8.814 1.064 1.00 71.20 C ATOM 446 CD ARG A 31 5.875 -8.999 2.506 1.00 14.45 C ATOM 447 NE ARG A 31 5.127 -9.975 3.318 1.00 73.23 N ATOM 448 CZ ARG A 31 5.405 -10.254 4.611 1.00 53.22 C ATOM 449 NH1 ARG A 31 6.412 -9.651 5.245 1.00 63.41 N ATOM 450 NH2 ARG A 31 4.674 -11.145 5.266 1.00 63.41 N ATOM 0 H ARG A 31 3.342 -8.932 3.157 1.00 34.34 H new ATOM 0 HA ARG A 31 1.940 -7.808 1.031 1.00 75.40 H new ATOM 0 HB2 ARG A 31 4.060 -7.499 -0.064 1.00 34.42 H new ATOM 0 HB3 ARG A 31 4.176 -7.093 1.636 1.00 34.42 H new ATOM 0 HG2 ARG A 31 5.135 -9.796 0.642 1.00 71.20 H new ATOM 0 HG3 ARG A 31 6.143 -8.374 0.458 1.00 71.20 H new ATOM 0 HD2 ARG A 31 6.919 -9.310 2.461 1.00 14.45 H new ATOM 0 HD3 ARG A 31 5.852 -8.034 3.012 1.00 14.45 H new ATOM 0 HE ARG A 31 4.352 -10.470 2.877 1.00 73.23 H new ATOM 0 HH11 ARG A 31 6.987 -8.967 4.754 1.00 63.41 H new ATOM 0 HH12 ARG A 31 6.607 -9.874 6.221 1.00 63.41 H new ATOM 0 HH21 ARG A 31 3.904 -11.618 4.794 1.00 63.41 H new ATOM 0 HH22 ARG A 31 4.882 -11.357 6.242 1.00 63.41 H new ATOM 464 N ILE A 32 1.302 -9.614 -0.558 1.00 42.13 N ATOM 465 CA ILE A 32 0.825 -10.644 -1.501 1.00 23.31 C ATOM 466 C ILE A 32 1.632 -10.610 -2.812 1.00 74.11 C ATOM 467 O ILE A 32 1.853 -11.644 -3.452 1.00 41.54 O ATOM 468 CB ILE A 32 -0.715 -10.466 -1.793 1.00 11.41 C ATOM 469 CG1 ILE A 32 -1.015 -9.160 -2.603 1.00 34.33 C ATOM 470 CG2 ILE A 32 -1.513 -10.470 -0.470 1.00 25.20 C ATOM 471 CD1 ILE A 32 -2.467 -8.961 -2.995 1.00 42.13 C ATOM 0 H ILE A 32 0.709 -8.784 -0.531 1.00 42.13 H new ATOM 0 HA ILE A 32 0.976 -11.618 -1.036 1.00 23.31 H new ATOM 0 HB ILE A 32 -1.030 -11.309 -2.408 1.00 11.41 H new ATOM 0 HG12 ILE A 32 -0.695 -8.303 -2.011 1.00 34.33 H new ATOM 0 HG13 ILE A 32 -0.409 -9.166 -3.509 1.00 34.33 H new ATOM 0 HG21 ILE A 32 -2.574 -10.346 -0.685 1.00 25.20 H new ATOM 0 HG22 ILE A 32 -1.355 -11.416 0.047 1.00 25.20 H new ATOM 0 HG23 ILE A 32 -1.173 -9.650 0.162 1.00 25.20 H new ATOM 0 HD11 ILE A 32 -2.569 -8.029 -3.551 1.00 42.13 H new ATOM 0 HD12 ILE A 32 -2.793 -9.794 -3.618 1.00 42.13 H new ATOM 0 HD13 ILE A 32 -3.083 -8.917 -2.097 1.00 42.13 H new ATOM 483 N VAL A 33 2.059 -9.399 -3.186 1.00 24.41 N ATOM 484 CA VAL A 33 2.857 -9.144 -4.385 1.00 60.52 C ATOM 485 C VAL A 33 3.659 -7.852 -4.154 1.00 65.45 C ATOM 486 O VAL A 33 3.208 -6.962 -3.413 1.00 63.32 O ATOM 487 CB VAL A 33 1.959 -9.053 -5.688 1.00 2.43 C ATOM 488 CG1 VAL A 33 0.988 -7.844 -5.664 1.00 40.34 C ATOM 489 CG2 VAL A 33 2.819 -9.055 -6.971 1.00 14.35 C ATOM 0 H VAL A 33 1.854 -8.554 -2.652 1.00 24.41 H new ATOM 0 HA VAL A 33 3.538 -9.978 -4.556 1.00 60.52 H new ATOM 0 HB VAL A 33 1.340 -9.950 -5.697 1.00 2.43 H new ATOM 0 HG11 VAL A 33 0.399 -7.832 -6.581 1.00 40.34 H new ATOM 0 HG12 VAL A 33 0.322 -7.929 -4.806 1.00 40.34 H new ATOM 0 HG13 VAL A 33 1.560 -6.919 -5.589 1.00 40.34 H new ATOM 0 HG21 VAL A 33 2.170 -8.992 -7.844 1.00 14.35 H new ATOM 0 HG22 VAL A 33 3.494 -8.199 -6.958 1.00 14.35 H new ATOM 0 HG23 VAL A 33 3.401 -9.976 -7.018 1.00 14.35 H new ATOM 499 N ASN A 34 4.859 -7.785 -4.755 1.00 75.03 N ATOM 500 CA ASN A 34 5.743 -6.612 -4.675 1.00 33.20 C ATOM 501 C ASN A 34 5.025 -5.367 -5.204 1.00 51.24 C ATOM 502 O ASN A 34 4.832 -4.383 -4.476 1.00 65.14 O ATOM 503 CB ASN A 34 7.040 -6.871 -5.501 1.00 3.40 C ATOM 504 CG ASN A 34 8.039 -5.693 -5.527 1.00 4.22 C ATOM 505 OD1 ASN A 34 8.689 -5.442 -6.543 1.00 61.24 O ATOM 506 ND2 ASN A 34 8.207 -4.988 -4.417 1.00 32.32 N ATOM 0 H ASN A 34 5.244 -8.547 -5.313 1.00 75.03 H new ATOM 0 HA ASN A 34 6.010 -6.443 -3.632 1.00 33.20 H new ATOM 0 HB2 ASN A 34 7.544 -7.747 -5.094 1.00 3.40 H new ATOM 0 HB3 ASN A 34 6.759 -7.113 -6.526 1.00 3.40 H new ATOM 0 HD21 ASN A 34 8.883 -4.224 -4.395 1.00 32.32 H new ATOM 0 HD22 ASN A 34 7.660 -5.209 -3.585 1.00 32.32 H new ATOM 513 N GLU A 35 4.610 -5.448 -6.479 1.00 63.53 N ATOM 514 CA GLU A 35 4.036 -4.324 -7.225 1.00 43.42 C ATOM 515 C GLU A 35 2.908 -4.797 -8.142 1.00 73.33 C ATOM 516 O GLU A 35 2.636 -5.998 -8.258 1.00 15.43 O ATOM 517 CB GLU A 35 5.157 -3.601 -8.044 1.00 70.23 C ATOM 518 CG GLU A 35 6.191 -2.871 -7.155 1.00 41.11 C ATOM 519 CD GLU A 35 7.306 -2.127 -7.894 1.00 23.04 C ATOM 520 OE1 GLU A 35 7.058 -1.575 -8.987 1.00 63.21 O ATOM 521 OE2 GLU A 35 8.428 -2.038 -7.341 1.00 42.41 O ATOM 0 H GLU A 35 4.666 -6.308 -7.024 1.00 63.53 H new ATOM 0 HA GLU A 35 3.609 -3.615 -6.516 1.00 43.42 H new ATOM 0 HB2 GLU A 35 5.674 -4.334 -8.664 1.00 70.23 H new ATOM 0 HB3 GLU A 35 4.696 -2.880 -8.720 1.00 70.23 H new ATOM 0 HG2 GLU A 35 5.660 -2.157 -6.526 1.00 41.11 H new ATOM 0 HG3 GLU A 35 6.649 -3.603 -6.489 1.00 41.11 H new ATOM 528 N SER A 36 2.268 -3.826 -8.808 1.00 62.25 N ATOM 529 CA SER A 36 1.211 -4.068 -9.795 1.00 33.11 C ATOM 530 C SER A 36 1.824 -4.243 -11.210 1.00 35.53 C ATOM 531 O SER A 36 1.326 -3.682 -12.199 1.00 74.44 O ATOM 532 CB SER A 36 0.208 -2.892 -9.730 1.00 13.41 C ATOM 533 OG SER A 36 0.865 -1.650 -9.861 1.00 44.01 O ATOM 0 H SER A 36 2.474 -2.836 -8.673 1.00 62.25 H new ATOM 0 HA SER A 36 0.679 -4.993 -9.571 1.00 33.11 H new ATOM 0 HB2 SER A 36 -0.533 -2.999 -10.522 1.00 13.41 H new ATOM 0 HB3 SER A 36 -0.331 -2.923 -8.783 1.00 13.41 H new ATOM 0 HG SER A 36 1.773 -1.794 -10.200 1.00 44.01 H new ATOM 539 N ASN A 37 2.887 -5.082 -11.279 1.00 3.51 N ATOM 540 CA ASN A 37 3.641 -5.375 -12.519 1.00 31.03 C ATOM 541 C ASN A 37 2.713 -5.829 -13.659 1.00 12.24 C ATOM 542 O ASN A 37 2.805 -5.326 -14.785 1.00 64.42 O ATOM 543 CB ASN A 37 4.703 -6.473 -12.231 1.00 30.12 C ATOM 544 CG ASN A 37 5.524 -6.884 -13.464 1.00 42.32 C ATOM 545 OD1 ASN A 37 5.839 -6.063 -14.325 1.00 51.33 O ATOM 546 ND2 ASN A 37 5.873 -8.156 -13.559 1.00 12.10 N ATOM 0 H ASN A 37 3.247 -5.579 -10.464 1.00 3.51 H new ATOM 0 HA ASN A 37 4.132 -4.457 -12.841 1.00 31.03 H new ATOM 0 HB2 ASN A 37 5.382 -6.114 -11.458 1.00 30.12 H new ATOM 0 HB3 ASN A 37 4.201 -7.354 -11.831 1.00 30.12 H new ATOM 0 HD21 ASN A 37 6.416 -8.477 -14.360 1.00 12.10 H new ATOM 0 HD22 ASN A 37 5.599 -8.816 -12.831 1.00 12.10 H new ATOM 553 N VAL A 38 1.825 -6.783 -13.340 1.00 53.05 N ATOM 554 CA VAL A 38 0.838 -7.324 -14.282 1.00 74.44 C ATOM 555 C VAL A 38 -0.349 -7.908 -13.492 1.00 11.31 C ATOM 556 O VAL A 38 -0.165 -8.435 -12.383 1.00 23.13 O ATOM 557 CB VAL A 38 1.491 -8.391 -15.250 1.00 62.33 C ATOM 558 CG1 VAL A 38 2.201 -9.528 -14.477 1.00 21.13 C ATOM 559 CG2 VAL A 38 0.462 -8.948 -16.267 1.00 31.52 C ATOM 0 H VAL A 38 1.773 -7.203 -12.412 1.00 53.05 H new ATOM 0 HA VAL A 38 0.468 -6.520 -14.919 1.00 74.44 H new ATOM 0 HB VAL A 38 2.261 -7.868 -15.818 1.00 62.33 H new ATOM 0 HG11 VAL A 38 2.633 -10.235 -15.185 1.00 21.13 H new ATOM 0 HG12 VAL A 38 2.992 -9.107 -13.856 1.00 21.13 H new ATOM 0 HG13 VAL A 38 1.479 -10.044 -13.844 1.00 21.13 H new ATOM 0 HG21 VAL A 38 0.949 -9.678 -16.914 1.00 31.52 H new ATOM 0 HG22 VAL A 38 -0.357 -9.428 -15.731 1.00 31.52 H new ATOM 0 HG23 VAL A 38 0.070 -8.131 -16.872 1.00 31.52 H new ATOM 569 N TYR A 39 -1.565 -7.798 -14.067 1.00 31.03 N ATOM 570 CA TYR A 39 -2.820 -8.231 -13.422 1.00 23.34 C ATOM 571 C TYR A 39 -2.844 -9.746 -13.137 1.00 43.20 C ATOM 572 O TYR A 39 -3.596 -10.190 -12.272 1.00 3.24 O ATOM 573 CB TYR A 39 -4.049 -7.828 -14.289 1.00 72.11 C ATOM 574 CG TYR A 39 -4.136 -8.513 -15.677 1.00 52.21 C ATOM 575 CD1 TYR A 39 -4.800 -9.735 -15.844 1.00 62.25 C ATOM 576 CD2 TYR A 39 -3.556 -7.931 -16.810 1.00 55.44 C ATOM 577 CE1 TYR A 39 -4.880 -10.346 -17.078 1.00 25.23 C ATOM 578 CE2 TYR A 39 -3.637 -8.540 -18.046 1.00 64.32 C ATOM 579 CZ TYR A 39 -4.299 -9.745 -18.173 1.00 23.31 C ATOM 580 OH TYR A 39 -4.387 -10.346 -19.409 1.00 55.31 O ATOM 0 H TYR A 39 -1.703 -7.404 -14.998 1.00 31.03 H new ATOM 0 HA TYR A 39 -2.874 -7.720 -12.461 1.00 23.34 H new ATOM 0 HB2 TYR A 39 -4.957 -8.058 -13.731 1.00 72.11 H new ATOM 0 HB3 TYR A 39 -4.030 -6.748 -14.436 1.00 72.11 H new ATOM 0 HD1 TYR A 39 -5.259 -10.209 -14.989 1.00 62.25 H new ATOM 0 HD2 TYR A 39 -3.036 -6.989 -16.716 1.00 55.44 H new ATOM 0 HE1 TYR A 39 -5.395 -11.289 -17.185 1.00 25.23 H new ATOM 0 HE2 TYR A 39 -3.185 -8.076 -18.910 1.00 64.32 H new ATOM 0 HH TYR A 39 -3.926 -9.794 -20.075 1.00 55.31 H new ATOM 590 N THR A 40 -2.039 -10.520 -13.893 1.00 51.42 N ATOM 591 CA THR A 40 -1.965 -11.976 -13.746 1.00 65.03 C ATOM 592 C THR A 40 -1.446 -12.346 -12.345 1.00 73.33 C ATOM 593 O THR A 40 -2.171 -12.958 -11.563 1.00 60.22 O ATOM 594 CB THR A 40 -1.056 -12.608 -14.855 1.00 73.41 C ATOM 595 OG1 THR A 40 0.256 -12.028 -14.795 1.00 32.30 O ATOM 596 CG2 THR A 40 -1.644 -12.393 -16.263 1.00 52.14 C ATOM 0 H THR A 40 -1.426 -10.148 -14.619 1.00 51.42 H new ATOM 0 HA THR A 40 -2.970 -12.382 -13.864 1.00 65.03 H new ATOM 0 HB THR A 40 -1.002 -13.681 -14.669 1.00 73.41 H new ATOM 0 HG1 THR A 40 0.822 -12.427 -15.489 1.00 32.30 H new ATOM 0 HG21 THR A 40 -0.986 -12.845 -17.005 1.00 52.14 H new ATOM 0 HG22 THR A 40 -2.629 -12.857 -16.321 1.00 52.14 H new ATOM 0 HG23 THR A 40 -1.734 -11.325 -16.461 1.00 52.14 H new ATOM 604 N THR A 41 -0.220 -11.891 -12.012 1.00 65.14 N ATOM 605 CA THR A 41 0.411 -12.182 -10.716 1.00 14.03 C ATOM 606 C THR A 41 -0.328 -11.482 -9.555 1.00 43.50 C ATOM 607 O THR A 41 -0.319 -11.991 -8.436 1.00 25.02 O ATOM 608 CB THR A 41 1.931 -11.791 -10.710 1.00 14.11 C ATOM 609 OG1 THR A 41 2.558 -12.240 -9.493 1.00 20.50 O ATOM 610 CG2 THR A 41 2.159 -10.275 -10.872 1.00 72.42 C ATOM 0 H THR A 41 0.353 -11.317 -12.631 1.00 65.14 H new ATOM 0 HA THR A 41 0.338 -13.259 -10.566 1.00 14.03 H new ATOM 0 HB THR A 41 2.382 -12.285 -11.571 1.00 14.11 H new ATOM 0 HG1 THR A 41 3.506 -11.991 -9.502 1.00 20.50 H new ATOM 0 HG21 THR A 41 3.228 -10.065 -10.861 1.00 72.42 H new ATOM 0 HG22 THR A 41 1.734 -9.942 -11.819 1.00 72.42 H new ATOM 0 HG23 THR A 41 1.676 -9.745 -10.051 1.00 72.42 H new ATOM 618 N PHE A 42 -0.970 -10.332 -9.846 1.00 74.42 N ATOM 619 CA PHE A 42 -1.710 -9.541 -8.847 1.00 13.43 C ATOM 620 C PHE A 42 -2.992 -10.271 -8.396 1.00 1.31 C ATOM 621 O PHE A 42 -3.203 -10.480 -7.194 1.00 71.12 O ATOM 622 CB PHE A 42 -2.046 -8.134 -9.423 1.00 72.42 C ATOM 623 CG PHE A 42 -3.044 -7.332 -8.584 1.00 62.41 C ATOM 624 CD1 PHE A 42 -2.714 -6.889 -7.302 1.00 42.51 C ATOM 625 CD2 PHE A 42 -4.323 -7.041 -9.073 1.00 13.11 C ATOM 626 CE1 PHE A 42 -3.629 -6.184 -6.541 1.00 13.42 C ATOM 627 CE2 PHE A 42 -5.229 -6.332 -8.311 1.00 11.40 C ATOM 628 CZ PHE A 42 -4.883 -5.904 -7.045 1.00 50.12 C ATOM 0 H PHE A 42 -0.989 -9.927 -10.782 1.00 74.42 H new ATOM 0 HA PHE A 42 -1.077 -9.417 -7.968 1.00 13.43 H new ATOM 0 HB2 PHE A 42 -1.123 -7.562 -9.514 1.00 72.42 H new ATOM 0 HB3 PHE A 42 -2.448 -8.253 -10.429 1.00 72.42 H new ATOM 0 HD1 PHE A 42 -1.734 -7.099 -6.900 1.00 42.51 H new ATOM 0 HD2 PHE A 42 -4.605 -7.376 -10.060 1.00 13.11 H new ATOM 0 HE1 PHE A 42 -3.361 -5.851 -5.549 1.00 13.42 H new ATOM 0 HE2 PHE A 42 -6.210 -6.112 -8.706 1.00 11.40 H new ATOM 0 HZ PHE A 42 -5.593 -5.350 -6.449 1.00 50.12 H new ATOM 638 N ARG A 43 -3.841 -10.637 -9.377 1.00 42.22 N ATOM 639 CA ARG A 43 -5.130 -11.302 -9.123 1.00 62.23 C ATOM 640 C ARG A 43 -4.882 -12.670 -8.479 1.00 23.22 C ATOM 641 O ARG A 43 -5.529 -13.021 -7.494 1.00 33.34 O ATOM 642 CB ARG A 43 -5.940 -11.455 -10.439 1.00 1.25 C ATOM 643 CG ARG A 43 -7.410 -11.903 -10.240 1.00 61.02 C ATOM 644 CD ARG A 43 -8.131 -12.164 -11.581 1.00 2.50 C ATOM 645 NE ARG A 43 -9.590 -12.348 -11.434 1.00 50.41 N ATOM 646 CZ ARG A 43 -10.291 -13.437 -11.807 1.00 42.45 C ATOM 647 NH1 ARG A 43 -9.687 -14.488 -12.359 1.00 11.04 N ATOM 648 NH2 ARG A 43 -11.603 -13.440 -11.663 1.00 4.32 N ATOM 0 H ARG A 43 -3.650 -10.479 -10.366 1.00 42.22 H new ATOM 0 HA ARG A 43 -5.717 -10.688 -8.440 1.00 62.23 H new ATOM 0 HB2 ARG A 43 -5.932 -10.502 -10.968 1.00 1.25 H new ATOM 0 HB3 ARG A 43 -5.436 -12.179 -11.079 1.00 1.25 H new ATOM 0 HG2 ARG A 43 -7.432 -12.810 -9.636 1.00 61.02 H new ATOM 0 HG3 ARG A 43 -7.949 -11.136 -9.684 1.00 61.02 H new ATOM 0 HD2 ARG A 43 -7.943 -11.328 -12.255 1.00 2.50 H new ATOM 0 HD3 ARG A 43 -7.705 -13.052 -12.048 1.00 2.50 H new ATOM 0 HE ARG A 43 -10.114 -11.581 -11.012 1.00 50.41 H new ATOM 0 HH11 ARG A 43 -8.678 -14.477 -12.506 1.00 11.04 H new ATOM 0 HH12 ARG A 43 -10.234 -15.304 -12.635 1.00 11.04 H new ATOM 0 HH21 ARG A 43 -12.075 -12.624 -11.273 1.00 4.32 H new ATOM 0 HH22 ARG A 43 -12.145 -14.258 -11.942 1.00 4.32 H new ATOM 662 N ASN A 44 -3.888 -13.402 -9.031 1.00 32.31 N ATOM 663 CA ASN A 44 -3.464 -14.715 -8.512 1.00 54.44 C ATOM 664 C ASN A 44 -2.908 -14.605 -7.086 1.00 64.32 C ATOM 665 O ASN A 44 -3.026 -15.555 -6.321 1.00 51.51 O ATOM 666 CB ASN A 44 -2.408 -15.392 -9.429 1.00 13.32 C ATOM 667 CG ASN A 44 -2.956 -15.827 -10.788 1.00 5.05 C ATOM 668 OD1 ASN A 44 -4.147 -16.106 -10.939 1.00 42.12 O ATOM 669 ND2 ASN A 44 -2.081 -15.921 -11.777 1.00 43.13 N ATOM 0 H ASN A 44 -3.360 -13.096 -9.848 1.00 32.31 H new ATOM 0 HA ASN A 44 -4.358 -15.339 -8.497 1.00 54.44 H new ATOM 0 HB2 ASN A 44 -1.581 -14.700 -9.586 1.00 13.32 H new ATOM 0 HB3 ASN A 44 -2.001 -16.264 -8.916 1.00 13.32 H new ATOM 0 HD21 ASN A 44 -2.385 -16.232 -12.699 1.00 43.13 H new ATOM 0 HD22 ASN A 44 -1.102 -15.682 -11.617 1.00 43.13 H new ATOM 676 N ALA A 45 -2.296 -13.450 -6.745 1.00 42.35 N ATOM 677 CA ALA A 45 -1.766 -13.194 -5.389 1.00 55.12 C ATOM 678 C ALA A 45 -2.903 -13.126 -4.352 1.00 2.03 C ATOM 679 O ALA A 45 -2.779 -13.689 -3.263 1.00 1.21 O ATOM 680 CB ALA A 45 -0.932 -11.904 -5.366 1.00 11.24 C ATOM 0 H ALA A 45 -2.157 -12.676 -7.395 1.00 42.35 H new ATOM 0 HA ALA A 45 -1.117 -14.027 -5.120 1.00 55.12 H new ATOM 0 HB1 ALA A 45 -0.552 -11.735 -4.359 1.00 11.24 H new ATOM 0 HB2 ALA A 45 -0.096 -11.999 -6.058 1.00 11.24 H new ATOM 0 HB3 ALA A 45 -1.556 -11.062 -5.665 1.00 11.24 H new ATOM 686 N ILE A 46 -4.013 -12.452 -4.717 1.00 53.22 N ATOM 687 CA ILE A 46 -5.216 -12.348 -3.859 1.00 11.22 C ATOM 688 C ILE A 46 -5.901 -13.729 -3.746 1.00 74.43 C ATOM 689 O ILE A 46 -6.338 -14.143 -2.666 1.00 74.00 O ATOM 690 CB ILE A 46 -6.246 -11.295 -4.427 1.00 41.32 C ATOM 691 CG1 ILE A 46 -5.544 -9.943 -4.771 1.00 61.25 C ATOM 692 CG2 ILE A 46 -7.408 -11.062 -3.424 1.00 75.10 C ATOM 693 CD1 ILE A 46 -6.446 -8.908 -5.426 1.00 62.40 C ATOM 0 H ILE A 46 -4.103 -11.966 -5.609 1.00 53.22 H new ATOM 0 HA ILE A 46 -4.894 -12.011 -2.874 1.00 11.22 H new ATOM 0 HB ILE A 46 -6.661 -11.704 -5.348 1.00 41.32 H new ATOM 0 HG12 ILE A 46 -5.133 -9.519 -3.855 1.00 61.25 H new ATOM 0 HG13 ILE A 46 -4.703 -10.144 -5.435 1.00 61.25 H new ATOM 0 HG21 ILE A 46 -8.105 -10.333 -3.837 1.00 75.10 H new ATOM 0 HG22 ILE A 46 -7.930 -12.002 -3.247 1.00 75.10 H new ATOM 0 HG23 ILE A 46 -7.006 -10.687 -2.483 1.00 75.10 H new ATOM 0 HD11 ILE A 46 -5.874 -8.003 -5.629 1.00 62.40 H new ATOM 0 HD12 ILE A 46 -6.838 -9.307 -6.362 1.00 62.40 H new ATOM 0 HD13 ILE A 46 -7.274 -8.672 -4.758 1.00 62.40 H new ATOM 705 N LEU A 47 -5.953 -14.443 -4.888 1.00 0.30 N ATOM 706 CA LEU A 47 -6.555 -15.787 -4.993 1.00 52.03 C ATOM 707 C LEU A 47 -5.669 -16.865 -4.320 1.00 62.00 C ATOM 708 O LEU A 47 -6.143 -17.965 -4.022 1.00 63.23 O ATOM 709 CB LEU A 47 -6.817 -16.133 -6.488 1.00 54.31 C ATOM 710 CG LEU A 47 -7.834 -15.203 -7.232 1.00 31.24 C ATOM 711 CD1 LEU A 47 -7.992 -15.605 -8.713 1.00 1.40 C ATOM 712 CD2 LEU A 47 -9.200 -15.170 -6.511 1.00 25.55 C ATOM 0 H LEU A 47 -5.575 -14.100 -5.771 1.00 0.30 H new ATOM 0 HA LEU A 47 -7.506 -15.778 -4.460 1.00 52.03 H new ATOM 0 HB2 LEU A 47 -5.867 -16.101 -7.021 1.00 54.31 H new ATOM 0 HB3 LEU A 47 -7.181 -17.159 -6.546 1.00 54.31 H new ATOM 0 HG LEU A 47 -7.425 -14.193 -7.210 1.00 31.24 H new ATOM 0 HD11 LEU A 47 -8.705 -14.938 -9.197 1.00 1.40 H new ATOM 0 HD12 LEU A 47 -7.027 -15.531 -9.215 1.00 1.40 H new ATOM 0 HD13 LEU A 47 -8.355 -16.631 -8.775 1.00 1.40 H new ATOM 0 HD21 LEU A 47 -9.882 -14.515 -7.054 1.00 25.55 H new ATOM 0 HD22 LEU A 47 -9.616 -16.177 -6.474 1.00 25.55 H new ATOM 0 HD23 LEU A 47 -9.067 -14.794 -5.496 1.00 25.55 H new ATOM 724 N LYS A 48 -4.389 -16.525 -4.099 1.00 25.24 N ATOM 725 CA LYS A 48 -3.414 -17.379 -3.386 1.00 65.13 C ATOM 726 C LYS A 48 -3.653 -17.295 -1.871 1.00 52.12 C ATOM 727 O LYS A 48 -3.439 -18.268 -1.138 1.00 42.00 O ATOM 728 CB LYS A 48 -1.983 -16.897 -3.726 1.00 70.03 C ATOM 729 CG LYS A 48 -0.828 -17.800 -3.248 1.00 72.20 C ATOM 730 CD LYS A 48 0.562 -17.172 -3.526 1.00 44.50 C ATOM 731 CE LYS A 48 0.773 -16.772 -5.002 1.00 72.31 C ATOM 732 NZ LYS A 48 2.109 -16.163 -5.220 1.00 0.42 N ATOM 0 H LYS A 48 -3.993 -15.639 -4.413 1.00 25.24 H new ATOM 0 HA LYS A 48 -3.535 -18.416 -3.699 1.00 65.13 H new ATOM 0 HB2 LYS A 48 -1.907 -16.787 -4.808 1.00 70.03 H new ATOM 0 HB3 LYS A 48 -1.844 -15.906 -3.294 1.00 70.03 H new ATOM 0 HG2 LYS A 48 -0.933 -17.986 -2.179 1.00 72.20 H new ATOM 0 HG3 LYS A 48 -0.894 -18.766 -3.748 1.00 72.20 H new ATOM 0 HD2 LYS A 48 0.686 -16.290 -2.898 1.00 44.50 H new ATOM 0 HD3 LYS A 48 1.337 -17.881 -3.236 1.00 44.50 H new ATOM 0 HE2 LYS A 48 0.666 -17.652 -5.636 1.00 72.31 H new ATOM 0 HE3 LYS A 48 -0.002 -16.067 -5.302 1.00 72.31 H new ATOM 0 HZ1 LYS A 48 2.215 -15.907 -6.223 1.00 0.42 H new ATOM 0 HZ2 LYS A 48 2.201 -15.309 -4.633 1.00 0.42 H new ATOM 0 HZ3 LYS A 48 2.849 -16.845 -4.957 1.00 0.42 H new ATOM 746 N GLN A 49 -4.097 -16.112 -1.420 1.00 13.53 N ATOM 747 CA GLN A 49 -4.440 -15.862 -0.017 1.00 60.04 C ATOM 748 C GLN A 49 -5.842 -16.405 0.280 1.00 64.12 C ATOM 749 O GLN A 49 -6.689 -16.507 -0.623 1.00 50.44 O ATOM 750 CB GLN A 49 -4.400 -14.339 0.299 1.00 55.22 C ATOM 751 CG GLN A 49 -3.084 -13.639 -0.066 1.00 74.15 C ATOM 752 CD GLN A 49 -1.860 -14.223 0.633 1.00 51.12 C ATOM 753 OE1 GLN A 49 -1.537 -13.693 1.799 1.00 0.14 O flip ATOM 754 NE2 GLN A 49 -1.207 -15.139 0.129 1.00 54.41 N flip ATOM 0 H GLN A 49 -4.228 -15.300 -2.023 1.00 13.53 H new ATOM 0 HA GLN A 49 -3.707 -16.370 0.610 1.00 60.04 H new ATOM 0 HB2 GLN A 49 -5.215 -13.850 -0.235 1.00 55.22 H new ATOM 0 HB3 GLN A 49 -4.587 -14.198 1.364 1.00 55.22 H new ATOM 0 HG2 GLN A 49 -2.938 -13.700 -1.144 1.00 74.15 H new ATOM 0 HG3 GLN A 49 -3.164 -12.581 0.186 1.00 74.15 H new ATOM 0 HE21 GLN A 49 -1.484 -15.526 -0.773 1.00 54.41 H new ATOM 0 HE22 GLN A 49 -0.390 -15.510 0.614 1.00 54.41 H new ATOM 763 N ALA A 50 -6.066 -16.750 1.552 1.00 22.51 N ATOM 764 CA ALA A 50 -7.404 -17.049 2.080 1.00 21.03 C ATOM 765 C ALA A 50 -8.240 -15.757 2.121 1.00 2.24 C ATOM 766 O ALA A 50 -9.470 -15.788 1.995 1.00 51.34 O ATOM 767 CB ALA A 50 -7.287 -17.689 3.473 1.00 61.24 C ATOM 0 H ALA A 50 -5.324 -16.830 2.247 1.00 22.51 H new ATOM 0 HA ALA A 50 -7.909 -17.762 1.428 1.00 21.03 H new ATOM 0 HB1 ALA A 50 -8.283 -17.908 3.858 1.00 61.24 H new ATOM 0 HB2 ALA A 50 -6.714 -18.614 3.402 1.00 61.24 H new ATOM 0 HB3 ALA A 50 -6.780 -17.000 4.149 1.00 61.24 H new ATOM 773 N ASP A 51 -7.528 -14.625 2.279 1.00 30.14 N ATOM 774 CA ASP A 51 -8.107 -13.275 2.278 1.00 1.34 C ATOM 775 C ASP A 51 -8.338 -12.832 0.829 1.00 12.30 C ATOM 776 O ASP A 51 -7.379 -12.674 0.065 1.00 24.30 O ATOM 777 CB ASP A 51 -7.149 -12.276 2.984 1.00 63.40 C ATOM 778 CG ASP A 51 -6.623 -12.814 4.321 1.00 23.31 C ATOM 779 OD1 ASP A 51 -5.646 -13.591 4.301 1.00 74.02 O ATOM 780 OD2 ASP A 51 -7.184 -12.484 5.380 1.00 54.31 O ATOM 0 H ASP A 51 -6.517 -14.627 2.413 1.00 30.14 H new ATOM 0 HA ASP A 51 -9.054 -13.289 2.818 1.00 1.34 H new ATOM 0 HB2 ASP A 51 -6.307 -12.058 2.327 1.00 63.40 H new ATOM 0 HB3 ASP A 51 -7.672 -11.335 3.155 1.00 63.40 H new ATOM 785 N LYS A 52 -9.609 -12.631 0.461 1.00 22.34 N ATOM 786 CA LYS A 52 -10.007 -12.193 -0.895 1.00 40.50 C ATOM 787 C LYS A 52 -10.229 -10.672 -0.920 1.00 61.01 C ATOM 788 O LYS A 52 -11.172 -10.158 -1.540 1.00 72.52 O ATOM 789 CB LYS A 52 -11.255 -12.991 -1.349 1.00 62.01 C ATOM 790 CG LYS A 52 -10.987 -14.507 -1.490 1.00 20.21 C ATOM 791 CD LYS A 52 -9.834 -14.811 -2.486 1.00 61.52 C ATOM 792 CE LYS A 52 -9.549 -16.311 -2.621 1.00 51.22 C ATOM 793 NZ LYS A 52 -10.724 -17.066 -3.121 1.00 64.43 N ATOM 0 H LYS A 52 -10.398 -12.766 1.093 1.00 22.34 H new ATOM 0 HA LYS A 52 -9.209 -12.402 -1.607 1.00 40.50 H new ATOM 0 HB2 LYS A 52 -12.060 -12.836 -0.630 1.00 62.01 H new ATOM 0 HB3 LYS A 52 -11.602 -12.599 -2.305 1.00 62.01 H new ATOM 0 HG2 LYS A 52 -10.740 -14.922 -0.513 1.00 20.21 H new ATOM 0 HG3 LYS A 52 -11.896 -15.005 -1.827 1.00 20.21 H new ATOM 0 HD2 LYS A 52 -10.088 -14.404 -3.465 1.00 61.52 H new ATOM 0 HD3 LYS A 52 -8.929 -14.302 -2.154 1.00 61.52 H new ATOM 0 HE2 LYS A 52 -8.709 -16.459 -3.300 1.00 51.22 H new ATOM 0 HE3 LYS A 52 -9.249 -16.710 -1.652 1.00 51.22 H new ATOM 0 HZ1 LYS A 52 -10.445 -18.047 -3.324 1.00 64.43 H new ATOM 0 HZ2 LYS A 52 -11.473 -17.061 -2.399 1.00 64.43 H new ATOM 0 HZ3 LYS A 52 -11.079 -16.620 -3.991 1.00 64.43 H new ATOM 807 N VAL A 53 -9.287 -9.971 -0.265 1.00 11.34 N ATOM 808 CA VAL A 53 -9.223 -8.516 -0.213 1.00 43.00 C ATOM 809 C VAL A 53 -7.743 -8.105 -0.028 1.00 30.42 C ATOM 810 O VAL A 53 -7.043 -8.607 0.864 1.00 24.34 O ATOM 811 CB VAL A 53 -10.144 -7.924 0.933 1.00 34.41 C ATOM 812 CG1 VAL A 53 -9.793 -8.507 2.325 1.00 13.13 C ATOM 813 CG2 VAL A 53 -10.118 -6.369 0.944 1.00 31.20 C ATOM 0 H VAL A 53 -8.533 -10.421 0.254 1.00 11.34 H new ATOM 0 HA VAL A 53 -9.606 -8.101 -1.145 1.00 43.00 H new ATOM 0 HB VAL A 53 -11.164 -8.234 0.707 1.00 34.41 H new ATOM 0 HG11 VAL A 53 -10.450 -8.072 3.078 1.00 13.13 H new ATOM 0 HG12 VAL A 53 -9.925 -9.589 2.310 1.00 13.13 H new ATOM 0 HG13 VAL A 53 -8.757 -8.271 2.568 1.00 13.13 H new ATOM 0 HG21 VAL A 53 -10.761 -6.000 1.743 1.00 31.20 H new ATOM 0 HG22 VAL A 53 -9.098 -6.023 1.111 1.00 31.20 H new ATOM 0 HG23 VAL A 53 -10.477 -5.992 -0.014 1.00 31.20 H new ATOM 823 N ALA A 54 -7.276 -7.221 -0.908 1.00 53.55 N ATOM 824 CA ALA A 54 -5.915 -6.673 -0.880 1.00 14.44 C ATOM 825 C ALA A 54 -5.964 -5.243 -0.342 1.00 4.11 C ATOM 826 O ALA A 54 -7.034 -4.644 -0.257 1.00 14.05 O ATOM 827 CB ALA A 54 -5.309 -6.699 -2.292 1.00 41.34 C ATOM 0 H ALA A 54 -7.841 -6.857 -1.676 1.00 53.55 H new ATOM 0 HA ALA A 54 -5.286 -7.279 -0.228 1.00 14.44 H new ATOM 0 HB1 ALA A 54 -4.299 -6.291 -2.262 1.00 41.34 H new ATOM 0 HB2 ALA A 54 -5.274 -7.726 -2.654 1.00 41.34 H new ATOM 0 HB3 ALA A 54 -5.923 -6.098 -2.963 1.00 41.34 H new ATOM 833 N TYR A 55 -4.806 -4.714 0.061 1.00 44.02 N ATOM 834 CA TYR A 55 -4.689 -3.370 0.647 1.00 41.22 C ATOM 835 C TYR A 55 -3.395 -2.717 0.140 1.00 32.03 C ATOM 836 O TYR A 55 -2.297 -3.159 0.484 1.00 13.13 O ATOM 837 CB TYR A 55 -4.684 -3.438 2.202 1.00 5.41 C ATOM 838 CG TYR A 55 -6.009 -3.911 2.841 1.00 74.24 C ATOM 839 CD1 TYR A 55 -6.257 -5.266 3.093 1.00 72.13 C ATOM 840 CD2 TYR A 55 -7.002 -2.997 3.202 1.00 32.54 C ATOM 841 CE1 TYR A 55 -7.438 -5.681 3.677 1.00 65.33 C ATOM 842 CE2 TYR A 55 -8.181 -3.413 3.790 1.00 24.14 C ATOM 843 CZ TYR A 55 -8.394 -4.754 4.022 1.00 32.34 C ATOM 844 OH TYR A 55 -9.574 -5.173 4.604 1.00 23.50 O ATOM 0 H TYR A 55 -3.916 -5.207 -0.009 1.00 44.02 H new ATOM 0 HA TYR A 55 -5.549 -2.773 0.344 1.00 41.22 H new ATOM 0 HB2 TYR A 55 -3.886 -4.110 2.518 1.00 5.41 H new ATOM 0 HB3 TYR A 55 -4.443 -2.450 2.593 1.00 5.41 H new ATOM 0 HD1 TYR A 55 -5.511 -6.000 2.826 1.00 72.13 H new ATOM 0 HD2 TYR A 55 -6.845 -1.944 3.018 1.00 32.54 H new ATOM 0 HE1 TYR A 55 -7.610 -6.731 3.862 1.00 65.33 H new ATOM 0 HE2 TYR A 55 -8.933 -2.689 4.067 1.00 24.14 H new ATOM 0 HH TYR A 55 -10.319 -4.644 4.250 1.00 23.50 H new ATOM 854 N LEU A 56 -3.540 -1.695 -0.713 1.00 45.01 N ATOM 855 CA LEU A 56 -2.404 -0.938 -1.250 1.00 31.42 C ATOM 856 C LEU A 56 -1.946 0.098 -0.205 1.00 34.11 C ATOM 857 O LEU A 56 -2.596 1.133 -0.009 1.00 63.41 O ATOM 858 CB LEU A 56 -2.801 -0.258 -2.589 1.00 0.23 C ATOM 859 CG LEU A 56 -1.673 0.539 -3.326 1.00 70.30 C ATOM 860 CD1 LEU A 56 -0.445 -0.343 -3.615 1.00 74.35 C ATOM 861 CD2 LEU A 56 -2.213 1.185 -4.618 1.00 32.25 C ATOM 0 H LEU A 56 -4.447 -1.371 -1.049 1.00 45.01 H new ATOM 0 HA LEU A 56 -1.573 -1.612 -1.457 1.00 31.42 H new ATOM 0 HB2 LEU A 56 -3.174 -1.027 -3.265 1.00 0.23 H new ATOM 0 HB3 LEU A 56 -3.629 0.423 -2.394 1.00 0.23 H new ATOM 0 HG LEU A 56 -1.345 1.336 -2.659 1.00 70.30 H new ATOM 0 HD11 LEU A 56 0.315 0.248 -4.127 1.00 74.35 H new ATOM 0 HD12 LEU A 56 -0.039 -0.721 -2.676 1.00 74.35 H new ATOM 0 HD13 LEU A 56 -0.740 -1.181 -4.246 1.00 74.35 H new ATOM 0 HD21 LEU A 56 -1.412 1.733 -5.113 1.00 32.25 H new ATOM 0 HD22 LEU A 56 -2.587 0.408 -5.285 1.00 32.25 H new ATOM 0 HD23 LEU A 56 -3.023 1.871 -4.371 1.00 32.25 H new ATOM 873 N VAL A 57 -0.853 -0.230 0.504 1.00 42.45 N ATOM 874 CA VAL A 57 -0.283 0.614 1.568 1.00 63.11 C ATOM 875 C VAL A 57 0.850 1.486 0.994 1.00 41.24 C ATOM 876 O VAL A 57 1.774 0.967 0.355 1.00 15.13 O ATOM 877 CB VAL A 57 0.265 -0.261 2.761 1.00 42.32 C ATOM 878 CG1 VAL A 57 0.807 0.622 3.921 1.00 54.51 C ATOM 879 CG2 VAL A 57 -0.824 -1.237 3.266 1.00 21.31 C ATOM 0 H VAL A 57 -0.336 -1.096 0.354 1.00 42.45 H new ATOM 0 HA VAL A 57 -1.076 1.254 1.954 1.00 63.11 H new ATOM 0 HB VAL A 57 1.103 -0.847 2.384 1.00 42.32 H new ATOM 0 HG11 VAL A 57 1.175 -0.017 4.723 1.00 54.51 H new ATOM 0 HG12 VAL A 57 1.620 1.247 3.553 1.00 54.51 H new ATOM 0 HG13 VAL A 57 0.006 1.256 4.301 1.00 54.51 H new ATOM 0 HG21 VAL A 57 -0.427 -1.831 4.089 1.00 21.31 H new ATOM 0 HG22 VAL A 57 -1.688 -0.670 3.612 1.00 21.31 H new ATOM 0 HG23 VAL A 57 -1.125 -1.898 2.453 1.00 21.31 H new ATOM 889 N MET A 58 0.755 2.807 1.219 1.00 35.44 N ATOM 890 CA MET A 58 1.794 3.777 0.851 1.00 33.51 C ATOM 891 C MET A 58 1.928 4.834 1.960 1.00 21.05 C ATOM 892 O MET A 58 1.187 4.818 2.943 1.00 1.33 O ATOM 893 CB MET A 58 1.467 4.459 -0.522 1.00 22.40 C ATOM 894 CG MET A 58 0.303 5.481 -0.514 1.00 70.31 C ATOM 895 SD MET A 58 -1.317 4.738 -0.240 1.00 11.24 S ATOM 896 CE MET A 58 -1.559 3.834 -1.764 1.00 55.31 C ATOM 0 H MET A 58 -0.056 3.234 1.667 1.00 35.44 H new ATOM 0 HA MET A 58 2.741 3.249 0.741 1.00 33.51 H new ATOM 0 HB2 MET A 58 2.365 4.964 -0.877 1.00 22.40 H new ATOM 0 HB3 MET A 58 1.234 3.678 -1.246 1.00 22.40 H new ATOM 0 HG2 MET A 58 0.488 6.222 0.263 1.00 70.31 H new ATOM 0 HG3 MET A 58 0.292 6.013 -1.466 1.00 70.31 H new ATOM 0 HE1 MET A 58 -2.363 3.110 -1.634 1.00 55.31 H new ATOM 0 HE2 MET A 58 -1.823 4.529 -2.561 1.00 55.31 H new ATOM 0 HE3 MET A 58 -0.639 3.312 -2.027 1.00 55.31 H new ATOM 906 N ASP A 59 2.903 5.725 1.797 1.00 1.32 N ATOM 907 CA ASP A 59 3.055 6.941 2.627 1.00 13.13 C ATOM 908 C ASP A 59 2.371 8.125 1.922 1.00 74.44 C ATOM 909 O ASP A 59 1.943 7.995 0.766 1.00 42.44 O ATOM 910 CB ASP A 59 4.553 7.228 2.853 1.00 13.41 C ATOM 911 CG ASP A 59 5.343 7.321 1.533 1.00 2.54 C ATOM 912 OD1 ASP A 59 5.769 6.270 1.008 1.00 14.55 O ATOM 913 OD2 ASP A 59 5.523 8.431 1.013 1.00 43.25 O ATOM 0 H ASP A 59 3.623 5.632 1.080 1.00 1.32 H new ATOM 0 HA ASP A 59 2.583 6.792 3.598 1.00 13.13 H new ATOM 0 HB2 ASP A 59 4.661 8.162 3.404 1.00 13.41 H new ATOM 0 HB3 ASP A 59 4.981 6.441 3.474 1.00 13.41 H new ATOM 918 N GLU A 60 2.297 9.291 2.595 1.00 0.35 N ATOM 919 CA GLU A 60 1.568 10.457 2.054 1.00 42.02 C ATOM 920 C GLU A 60 2.327 11.115 0.889 1.00 15.15 C ATOM 921 O GLU A 60 1.690 11.662 -0.005 1.00 23.12 O ATOM 922 CB GLU A 60 1.225 11.506 3.142 1.00 12.45 C ATOM 923 CG GLU A 60 0.315 12.659 2.638 1.00 21.33 C ATOM 924 CD GLU A 60 -0.198 13.591 3.744 1.00 71.41 C ATOM 925 OE1 GLU A 60 -1.135 13.193 4.477 1.00 74.02 O ATOM 926 OE2 GLU A 60 0.304 14.734 3.860 1.00 62.55 O ATOM 0 H GLU A 60 2.728 9.450 3.505 1.00 0.35 H new ATOM 0 HA GLU A 60 0.625 10.068 1.671 1.00 42.02 H new ATOM 0 HB2 GLU A 60 0.732 11.004 3.974 1.00 12.45 H new ATOM 0 HB3 GLU A 60 2.151 11.930 3.529 1.00 12.45 H new ATOM 0 HG2 GLU A 60 0.869 13.251 1.909 1.00 21.33 H new ATOM 0 HG3 GLU A 60 -0.540 12.229 2.116 1.00 21.33 H new ATOM 933 N ARG A 61 3.671 11.030 0.881 1.00 64.15 N ATOM 934 CA ARG A 61 4.506 11.606 -0.206 1.00 31.50 C ATOM 935 C ARG A 61 4.258 10.858 -1.537 1.00 73.44 C ATOM 936 O ARG A 61 4.200 11.470 -2.613 1.00 15.34 O ATOM 937 CB ARG A 61 6.000 11.552 0.185 1.00 72.40 C ATOM 938 CG ARG A 61 6.974 12.160 -0.851 1.00 41.13 C ATOM 939 CD ARG A 61 8.444 11.939 -0.472 1.00 43.43 C ATOM 940 NE ARG A 61 9.382 12.574 -1.404 1.00 64.12 N ATOM 941 CZ ARG A 61 10.685 12.783 -1.152 1.00 63.04 C ATOM 942 NH1 ARG A 61 11.229 12.419 0.009 1.00 53.01 N ATOM 943 NH2 ARG A 61 11.433 13.373 -2.064 1.00 41.22 N ATOM 0 H ARG A 61 4.209 10.568 1.614 1.00 64.15 H new ATOM 0 HA ARG A 61 4.224 12.649 -0.348 1.00 31.50 H new ATOM 0 HB2 ARG A 61 6.130 12.075 1.133 1.00 72.40 H new ATOM 0 HB3 ARG A 61 6.278 10.512 0.354 1.00 72.40 H new ATOM 0 HG2 ARG A 61 6.783 11.717 -1.829 1.00 41.13 H new ATOM 0 HG3 ARG A 61 6.782 13.229 -0.942 1.00 41.13 H new ATOM 0 HD2 ARG A 61 8.617 12.330 0.531 1.00 43.43 H new ATOM 0 HD3 ARG A 61 8.646 10.869 -0.436 1.00 43.43 H new ATOM 0 HE ARG A 61 9.019 12.878 -2.307 1.00 64.12 H new ATOM 0 HH11 ARG A 61 10.654 11.974 0.724 1.00 53.01 H new ATOM 0 HH12 ARG A 61 12.220 12.586 0.182 1.00 53.01 H new ATOM 0 HH21 ARG A 61 11.021 13.666 -2.950 1.00 41.22 H new ATOM 0 HH22 ARG A 61 12.423 13.537 -1.883 1.00 41.22 H new ATOM 957 N THR A 62 4.102 9.527 -1.435 1.00 51.21 N ATOM 958 CA THR A 62 3.677 8.674 -2.550 1.00 32.53 C ATOM 959 C THR A 62 2.216 8.984 -2.922 1.00 35.42 C ATOM 960 O THR A 62 1.874 9.087 -4.110 1.00 44.21 O ATOM 961 CB THR A 62 3.850 7.162 -2.182 1.00 44.01 C ATOM 962 OG1 THR A 62 5.245 6.886 -1.976 1.00 4.32 O ATOM 963 CG2 THR A 62 3.290 6.207 -3.261 1.00 1.44 C ATOM 0 H THR A 62 4.269 9.013 -0.570 1.00 51.21 H new ATOM 0 HA THR A 62 4.307 8.884 -3.415 1.00 32.53 H new ATOM 0 HB THR A 62 3.276 6.983 -1.273 1.00 44.01 H new ATOM 0 HG1 THR A 62 5.401 6.678 -1.031 1.00 4.32 H new ATOM 0 HG21 THR A 62 3.440 5.174 -2.946 1.00 1.44 H new ATOM 0 HG22 THR A 62 2.225 6.394 -3.395 1.00 1.44 H new ATOM 0 HG23 THR A 62 3.810 6.378 -4.204 1.00 1.44 H new ATOM 971 N TRP A 63 1.376 9.175 -1.881 1.00 33.22 N ATOM 972 CA TRP A 63 -0.045 9.497 -2.037 1.00 32.21 C ATOM 973 C TRP A 63 -0.251 10.831 -2.773 1.00 55.24 C ATOM 974 O TRP A 63 -1.244 10.966 -3.464 1.00 34.40 O ATOM 975 CB TRP A 63 -0.774 9.519 -0.664 1.00 24.31 C ATOM 976 CG TRP A 63 -2.189 10.059 -0.740 1.00 44.34 C ATOM 977 CD1 TRP A 63 -2.621 11.317 -0.396 1.00 1.42 C ATOM 978 CD2 TRP A 63 -3.339 9.373 -1.257 1.00 10.44 C ATOM 979 NE1 TRP A 63 -3.965 11.436 -0.641 1.00 34.21 N ATOM 980 CE2 TRP A 63 -4.427 10.258 -1.168 1.00 75.34 C ATOM 981 CE3 TRP A 63 -3.550 8.088 -1.771 1.00 24.15 C ATOM 982 CZ2 TRP A 63 -5.703 9.907 -1.580 1.00 22.03 C ATOM 983 CZ3 TRP A 63 -4.818 7.742 -2.183 1.00 34.53 C ATOM 984 CH2 TRP A 63 -5.881 8.648 -2.083 1.00 34.24 C ATOM 0 H TRP A 63 1.674 9.108 -0.908 1.00 33.22 H new ATOM 0 HA TRP A 63 -0.483 8.707 -2.647 1.00 32.21 H new ATOM 0 HB2 TRP A 63 -0.801 8.507 -0.259 1.00 24.31 H new ATOM 0 HB3 TRP A 63 -0.199 10.127 0.034 1.00 24.31 H new ATOM 0 HD1 TRP A 63 -1.994 12.098 0.008 1.00 1.42 H new ATOM 0 HE1 TRP A 63 -4.529 12.266 -0.460 1.00 34.21 H new ATOM 0 HE3 TRP A 63 -2.735 7.383 -1.843 1.00 24.15 H new ATOM 0 HZ2 TRP A 63 -6.526 10.602 -1.506 1.00 22.03 H new ATOM 0 HZ3 TRP A 63 -4.995 6.757 -2.589 1.00 34.53 H new ATOM 0 HH2 TRP A 63 -6.865 8.345 -2.411 1.00 34.24 H new ATOM 995 N LYS A 64 0.675 11.808 -2.603 1.00 73.34 N ATOM 996 CA LYS A 64 0.604 13.103 -3.308 1.00 21.52 C ATOM 997 C LYS A 64 0.436 12.870 -4.812 1.00 52.41 C ATOM 998 O LYS A 64 -0.440 13.453 -5.442 1.00 11.14 O ATOM 999 CB LYS A 64 1.885 13.949 -3.077 1.00 54.51 C ATOM 1000 CG LYS A 64 2.220 14.264 -1.614 1.00 64.22 C ATOM 1001 CD LYS A 64 1.095 15.013 -0.862 1.00 14.22 C ATOM 1002 CE LYS A 64 1.576 15.526 0.506 1.00 34.33 C ATOM 1003 NZ LYS A 64 0.535 16.295 1.233 1.00 73.31 N ATOM 0 H LYS A 64 1.479 11.718 -1.982 1.00 73.34 H new ATOM 0 HA LYS A 64 -0.252 13.646 -2.909 1.00 21.52 H new ATOM 0 HB2 LYS A 64 2.731 13.422 -3.519 1.00 54.51 H new ATOM 0 HB3 LYS A 64 1.779 14.890 -3.617 1.00 54.51 H new ATOM 0 HG2 LYS A 64 2.435 13.332 -1.092 1.00 64.22 H new ATOM 0 HG3 LYS A 64 3.129 14.865 -1.581 1.00 64.22 H new ATOM 0 HD2 LYS A 64 0.749 15.852 -1.465 1.00 14.22 H new ATOM 0 HD3 LYS A 64 0.243 14.347 -0.723 1.00 14.22 H new ATOM 0 HE2 LYS A 64 1.888 14.679 1.117 1.00 34.33 H new ATOM 0 HE3 LYS A 64 2.454 16.157 0.364 1.00 34.33 H new ATOM 0 HZ1 LYS A 64 0.856 17.275 1.365 1.00 73.31 H new ATOM 0 HZ2 LYS A 64 -0.347 16.291 0.682 1.00 73.31 H new ATOM 0 HZ3 LYS A 64 0.366 15.858 2.161 1.00 73.31 H new ATOM 1017 N LYS A 65 1.265 11.952 -5.338 1.00 1.43 N ATOM 1018 CA LYS A 65 1.332 11.647 -6.767 1.00 35.23 C ATOM 1019 C LYS A 65 0.135 10.796 -7.214 1.00 41.44 C ATOM 1020 O LYS A 65 -0.386 11.005 -8.306 1.00 71.32 O ATOM 1021 CB LYS A 65 2.678 10.963 -7.112 1.00 43.52 C ATOM 1022 CG LYS A 65 3.934 11.726 -6.610 1.00 62.05 C ATOM 1023 CD LYS A 65 3.937 13.236 -6.971 1.00 2.31 C ATOM 1024 CE LYS A 65 3.899 13.517 -8.488 1.00 22.22 C ATOM 1025 NZ LYS A 65 3.664 14.958 -8.762 1.00 61.10 N ATOM 0 H LYS A 65 1.910 11.399 -4.774 1.00 1.43 H new ATOM 0 HA LYS A 65 1.280 12.586 -7.319 1.00 35.23 H new ATOM 0 HB2 LYS A 65 2.682 9.961 -6.684 1.00 43.52 H new ATOM 0 HB3 LYS A 65 2.746 10.848 -8.194 1.00 43.52 H new ATOM 0 HG2 LYS A 65 4.003 11.621 -5.527 1.00 62.05 H new ATOM 0 HG3 LYS A 65 4.824 11.259 -7.033 1.00 62.05 H new ATOM 0 HD2 LYS A 65 3.077 13.713 -6.501 1.00 2.31 H new ATOM 0 HD3 LYS A 65 4.829 13.699 -6.548 1.00 2.31 H new ATOM 0 HE2 LYS A 65 4.840 13.207 -8.942 1.00 22.22 H new ATOM 0 HE3 LYS A 65 3.111 12.923 -8.951 1.00 22.22 H new ATOM 0 HZ1 LYS A 65 3.728 15.132 -9.785 1.00 61.10 H new ATOM 0 HZ2 LYS A 65 2.718 15.226 -8.423 1.00 61.10 H new ATOM 0 HZ3 LYS A 65 4.382 15.527 -8.269 1.00 61.10 H new ATOM 1039 N VAL A 66 -0.310 9.864 -6.345 1.00 43.33 N ATOM 1040 CA VAL A 66 -1.538 9.061 -6.572 1.00 45.33 C ATOM 1041 C VAL A 66 -2.750 10.001 -6.733 1.00 4.14 C ATOM 1042 O VAL A 66 -3.509 9.895 -7.688 1.00 32.30 O ATOM 1043 CB VAL A 66 -1.791 8.067 -5.368 1.00 5.25 C ATOM 1044 CG1 VAL A 66 -3.092 7.244 -5.550 1.00 10.33 C ATOM 1045 CG2 VAL A 66 -0.576 7.134 -5.158 1.00 53.13 C ATOM 0 H VAL A 66 0.166 9.645 -5.470 1.00 43.33 H new ATOM 0 HA VAL A 66 -1.405 8.475 -7.481 1.00 45.33 H new ATOM 0 HB VAL A 66 -1.919 8.676 -4.473 1.00 5.25 H new ATOM 0 HG11 VAL A 66 -3.222 6.576 -4.698 1.00 10.33 H new ATOM 0 HG12 VAL A 66 -3.944 7.920 -5.615 1.00 10.33 H new ATOM 0 HG13 VAL A 66 -3.025 6.656 -6.465 1.00 10.33 H new ATOM 0 HG21 VAL A 66 -0.774 6.460 -4.325 1.00 53.13 H new ATOM 0 HG22 VAL A 66 -0.404 6.551 -6.063 1.00 53.13 H new ATOM 0 HG23 VAL A 66 0.308 7.732 -4.938 1.00 53.13 H new ATOM 1055 N TYR A 67 -2.822 10.969 -5.812 1.00 10.22 N ATOM 1056 CA TYR A 67 -3.907 11.950 -5.682 1.00 51.01 C ATOM 1057 C TYR A 67 -3.876 12.955 -6.855 1.00 34.45 C ATOM 1058 O TYR A 67 -4.932 13.433 -7.285 1.00 12.42 O ATOM 1059 CB TYR A 67 -3.755 12.650 -4.301 1.00 30.52 C ATOM 1060 CG TYR A 67 -4.860 13.637 -3.902 1.00 62.24 C ATOM 1061 CD1 TYR A 67 -6.064 13.201 -3.349 1.00 2.05 C ATOM 1062 CD2 TYR A 67 -4.681 15.011 -4.042 1.00 41.43 C ATOM 1063 CE1 TYR A 67 -7.039 14.104 -2.956 1.00 25.41 C ATOM 1064 CE2 TYR A 67 -5.646 15.907 -3.660 1.00 43.31 C ATOM 1065 CZ TYR A 67 -6.823 15.454 -3.120 1.00 3.45 C ATOM 1066 OH TYR A 67 -7.779 16.358 -2.729 1.00 71.42 O ATOM 0 H TYR A 67 -2.096 11.096 -5.107 1.00 10.22 H new ATOM 0 HA TYR A 67 -4.879 11.459 -5.727 1.00 51.01 H new ATOM 0 HB2 TYR A 67 -3.695 11.878 -3.533 1.00 30.52 H new ATOM 0 HB3 TYR A 67 -2.804 13.183 -4.293 1.00 30.52 H new ATOM 0 HD1 TYR A 67 -6.239 12.143 -3.225 1.00 2.05 H new ATOM 0 HD2 TYR A 67 -3.758 15.381 -4.463 1.00 41.43 H new ATOM 0 HE1 TYR A 67 -7.963 13.751 -2.523 1.00 25.41 H new ATOM 0 HE2 TYR A 67 -5.480 16.967 -3.784 1.00 43.31 H new ATOM 0 HH TYR A 67 -7.465 17.267 -2.915 1.00 71.42 H new ATOM 1076 N ASP A 68 -2.649 13.251 -7.370 1.00 1.41 N ATOM 1077 CA ASP A 68 -2.462 14.047 -8.605 1.00 3.21 C ATOM 1078 C ASP A 68 -3.143 13.339 -9.781 1.00 42.12 C ATOM 1079 O ASP A 68 -4.004 13.916 -10.444 1.00 31.45 O ATOM 1080 CB ASP A 68 -0.951 14.252 -8.960 1.00 1.22 C ATOM 1081 CG ASP A 68 -0.224 15.318 -8.125 1.00 73.44 C ATOM 1082 OD1 ASP A 68 -0.708 16.472 -8.063 1.00 55.41 O ATOM 1083 OD2 ASP A 68 0.847 15.023 -7.544 1.00 62.21 O ATOM 0 H ASP A 68 -1.775 12.946 -6.942 1.00 1.41 H new ATOM 0 HA ASP A 68 -2.906 15.026 -8.424 1.00 3.21 H new ATOM 0 HB2 ASP A 68 -0.433 13.301 -8.837 1.00 1.22 H new ATOM 0 HB3 ASP A 68 -0.875 14.523 -10.013 1.00 1.22 H new ATOM 1088 N LEU A 69 -2.746 12.063 -9.982 1.00 33.22 N ATOM 1089 CA LEU A 69 -3.167 11.234 -11.126 1.00 30.22 C ATOM 1090 C LEU A 69 -4.678 11.028 -11.146 1.00 52.13 C ATOM 1091 O LEU A 69 -5.277 11.006 -12.221 1.00 33.50 O ATOM 1092 CB LEU A 69 -2.467 9.857 -11.075 1.00 12.55 C ATOM 1093 CG LEU A 69 -0.918 9.893 -11.151 1.00 13.31 C ATOM 1094 CD1 LEU A 69 -0.329 8.508 -10.864 1.00 74.14 C ATOM 1095 CD2 LEU A 69 -0.429 10.455 -12.504 1.00 73.42 C ATOM 0 H LEU A 69 -2.116 11.576 -9.344 1.00 33.22 H new ATOM 0 HA LEU A 69 -2.879 11.763 -12.034 1.00 30.22 H new ATOM 0 HB2 LEU A 69 -2.757 9.355 -10.152 1.00 12.55 H new ATOM 0 HB3 LEU A 69 -2.840 9.248 -11.899 1.00 12.55 H new ATOM 0 HG LEU A 69 -0.559 10.573 -10.379 1.00 13.31 H new ATOM 0 HD11 LEU A 69 0.758 8.556 -10.922 1.00 74.14 H new ATOM 0 HD12 LEU A 69 -0.625 8.187 -9.865 1.00 74.14 H new ATOM 0 HD13 LEU A 69 -0.701 7.795 -11.600 1.00 74.14 H new ATOM 0 HD21 LEU A 69 0.661 10.465 -12.521 1.00 73.42 H new ATOM 0 HD22 LEU A 69 -0.799 9.826 -13.314 1.00 73.42 H new ATOM 0 HD23 LEU A 69 -0.804 11.470 -12.633 1.00 73.42 H new ATOM 1107 N LEU A 70 -5.266 10.853 -9.948 1.00 3.24 N ATOM 1108 CA LEU A 70 -6.711 10.669 -9.786 1.00 21.20 C ATOM 1109 C LEU A 70 -7.463 11.854 -10.414 1.00 65.24 C ATOM 1110 O LEU A 70 -8.200 11.677 -11.385 1.00 5.24 O ATOM 1111 CB LEU A 70 -7.080 10.485 -8.282 1.00 65.10 C ATOM 1112 CG LEU A 70 -6.563 9.175 -7.603 1.00 54.23 C ATOM 1113 CD1 LEU A 70 -6.958 9.106 -6.112 1.00 11.22 C ATOM 1114 CD2 LEU A 70 -7.045 7.927 -8.367 1.00 54.24 C ATOM 0 H LEU A 70 -4.749 10.836 -9.069 1.00 3.24 H new ATOM 0 HA LEU A 70 -7.015 9.760 -10.306 1.00 21.20 H new ATOM 0 HB2 LEU A 70 -6.689 11.337 -7.726 1.00 65.10 H new ATOM 0 HB3 LEU A 70 -8.166 10.514 -8.189 1.00 65.10 H new ATOM 0 HG LEU A 70 -5.474 9.195 -7.646 1.00 54.23 H new ATOM 0 HD11 LEU A 70 -6.580 8.181 -5.678 1.00 11.22 H new ATOM 0 HD12 LEU A 70 -6.530 9.957 -5.582 1.00 11.22 H new ATOM 0 HD13 LEU A 70 -8.044 9.132 -6.022 1.00 11.22 H new ATOM 0 HD21 LEU A 70 -6.671 7.031 -7.873 1.00 54.24 H new ATOM 0 HD22 LEU A 70 -8.135 7.906 -8.379 1.00 54.24 H new ATOM 0 HD23 LEU A 70 -6.671 7.960 -9.390 1.00 54.24 H new ATOM 1126 N ILE A 71 -7.196 13.064 -9.898 1.00 64.42 N ATOM 1127 CA ILE A 71 -7.874 14.306 -10.332 1.00 51.24 C ATOM 1128 C ILE A 71 -7.519 14.656 -11.801 1.00 24.35 C ATOM 1129 O ILE A 71 -8.348 15.205 -12.544 1.00 35.22 O ATOM 1130 CB ILE A 71 -7.500 15.499 -9.371 1.00 14.51 C ATOM 1131 CG1 ILE A 71 -7.737 15.093 -7.879 1.00 5.14 C ATOM 1132 CG2 ILE A 71 -8.295 16.784 -9.722 1.00 2.03 C ATOM 1133 CD1 ILE A 71 -7.273 16.120 -6.864 1.00 1.11 C ATOM 0 H ILE A 71 -6.502 13.214 -9.165 1.00 64.42 H new ATOM 0 HA ILE A 71 -8.950 14.139 -10.280 1.00 51.24 H new ATOM 0 HB ILE A 71 -6.442 15.719 -9.510 1.00 14.51 H new ATOM 0 HG12 ILE A 71 -8.801 14.910 -7.731 1.00 5.14 H new ATOM 0 HG13 ILE A 71 -7.222 14.152 -7.686 1.00 5.14 H new ATOM 0 HG21 ILE A 71 -8.012 17.585 -9.039 1.00 2.03 H new ATOM 0 HG22 ILE A 71 -8.070 17.083 -10.746 1.00 2.03 H new ATOM 0 HG23 ILE A 71 -9.363 16.588 -9.628 1.00 2.03 H new ATOM 0 HD11 ILE A 71 -7.477 15.755 -5.857 1.00 1.11 H new ATOM 0 HD12 ILE A 71 -6.202 16.288 -6.979 1.00 1.11 H new ATOM 0 HD13 ILE A 71 -7.806 17.057 -7.025 1.00 1.11 H new ATOM 1145 N LEU A 72 -6.289 14.285 -12.203 1.00 12.24 N ATOM 1146 CA LEU A 72 -5.742 14.541 -13.548 1.00 74.33 C ATOM 1147 C LEU A 72 -6.535 13.751 -14.608 1.00 34.14 C ATOM 1148 O LEU A 72 -7.034 14.330 -15.583 1.00 62.23 O ATOM 1149 CB LEU A 72 -4.221 14.157 -13.556 1.00 12.43 C ATOM 1150 CG LEU A 72 -3.335 14.562 -14.793 1.00 12.40 C ATOM 1151 CD1 LEU A 72 -3.583 13.679 -16.032 1.00 34.24 C ATOM 1152 CD2 LEU A 72 -3.493 16.066 -15.126 1.00 4.34 C ATOM 0 H LEU A 72 -5.638 13.791 -11.593 1.00 12.24 H new ATOM 0 HA LEU A 72 -5.838 15.598 -13.797 1.00 74.33 H new ATOM 0 HB2 LEU A 72 -3.766 14.597 -12.668 1.00 12.43 H new ATOM 0 HB3 LEU A 72 -4.155 13.075 -13.445 1.00 12.43 H new ATOM 0 HG LEU A 72 -2.300 14.385 -14.501 1.00 12.40 H new ATOM 0 HD11 LEU A 72 -2.942 14.010 -16.849 1.00 34.24 H new ATOM 0 HD12 LEU A 72 -3.356 12.641 -15.790 1.00 34.24 H new ATOM 0 HD13 LEU A 72 -4.627 13.761 -16.334 1.00 34.24 H new ATOM 0 HD21 LEU A 72 -2.869 16.316 -15.984 1.00 4.34 H new ATOM 0 HD22 LEU A 72 -4.536 16.279 -15.361 1.00 4.34 H new ATOM 0 HD23 LEU A 72 -3.185 16.663 -14.268 1.00 4.34 H new ATOM 1164 N HIS A 73 -6.621 12.425 -14.416 1.00 13.53 N ATOM 1165 CA HIS A 73 -7.196 11.515 -15.418 1.00 62.12 C ATOM 1166 C HIS A 73 -8.728 11.484 -15.294 1.00 23.42 C ATOM 1167 O HIS A 73 -9.428 11.853 -16.254 1.00 5.22 O ATOM 1168 CB HIS A 73 -6.569 10.097 -15.303 1.00 70.31 C ATOM 1169 CG HIS A 73 -5.083 10.051 -15.620 1.00 74.25 C ATOM 1170 ND1 HIS A 73 -4.584 10.142 -16.903 1.00 43.41 N ATOM 1171 CD2 HIS A 73 -3.992 9.920 -14.821 1.00 52.51 C ATOM 1172 CE1 HIS A 73 -3.271 10.065 -16.875 1.00 34.44 C ATOM 1173 NE2 HIS A 73 -2.884 9.934 -15.624 1.00 14.34 N ATOM 0 H HIS A 73 -6.297 11.957 -13.569 1.00 13.53 H new ATOM 0 HA HIS A 73 -6.955 11.888 -16.413 1.00 62.12 H new ATOM 0 HB2 HIS A 73 -6.726 9.722 -14.292 1.00 70.31 H new ATOM 0 HB3 HIS A 73 -7.095 9.422 -15.978 1.00 70.31 H new ATOM 0 HD2 HIS A 73 -3.998 9.822 -13.745 1.00 52.51 H new ATOM 0 HE1 HIS A 73 -2.619 10.103 -17.735 1.00 34.44 H new ATOM 0 HE2 HIS A 73 -1.918 9.856 -15.306 1.00 14.34 H new ATOM 1182 N ASP A 74 -9.254 11.069 -14.112 1.00 15.03 N ATOM 1183 CA ASP A 74 -10.714 11.032 -13.869 1.00 72.41 C ATOM 1184 C ASP A 74 -11.042 10.854 -12.361 1.00 4.41 C ATOM 1185 O ASP A 74 -11.195 9.726 -11.876 1.00 60.03 O ATOM 1186 CB ASP A 74 -11.384 9.913 -14.729 1.00 70.42 C ATOM 1187 CG ASP A 74 -12.922 9.920 -14.647 1.00 61.53 C ATOM 1188 OD1 ASP A 74 -13.553 10.856 -15.187 1.00 53.22 O ATOM 1189 OD2 ASP A 74 -13.512 9.004 -14.034 1.00 51.24 O ATOM 0 H ASP A 74 -8.691 10.758 -13.320 1.00 15.03 H new ATOM 0 HA ASP A 74 -11.127 11.993 -14.175 1.00 72.41 H new ATOM 0 HB2 ASP A 74 -11.082 10.034 -15.769 1.00 70.42 H new ATOM 0 HB3 ASP A 74 -11.014 8.942 -14.401 1.00 70.42 H new ATOM 1194 N PHE A 75 -11.070 11.997 -11.641 1.00 63.52 N ATOM 1195 CA PHE A 75 -11.564 12.141 -10.241 1.00 40.24 C ATOM 1196 C PHE A 75 -11.601 13.649 -9.888 1.00 22.22 C ATOM 1197 O PHE A 75 -11.290 14.508 -10.722 1.00 4.30 O ATOM 1198 CB PHE A 75 -10.694 11.363 -9.180 1.00 4.34 C ATOM 1199 CG PHE A 75 -11.239 10.003 -8.725 1.00 73.44 C ATOM 1200 CD1 PHE A 75 -12.440 9.922 -8.018 1.00 50.02 C ATOM 1201 CD2 PHE A 75 -10.538 8.817 -8.971 1.00 52.24 C ATOM 1202 CE1 PHE A 75 -12.921 8.702 -7.577 1.00 74.50 C ATOM 1203 CE2 PHE A 75 -11.023 7.601 -8.532 1.00 53.22 C ATOM 1204 CZ PHE A 75 -12.213 7.542 -7.834 1.00 34.23 C ATOM 0 H PHE A 75 -10.738 12.881 -12.027 1.00 63.52 H new ATOM 0 HA PHE A 75 -12.558 11.697 -10.197 1.00 40.24 H new ATOM 0 HB2 PHE A 75 -9.699 11.211 -9.598 1.00 4.34 H new ATOM 0 HB3 PHE A 75 -10.577 11.997 -8.301 1.00 4.34 H new ATOM 0 HD1 PHE A 75 -13.000 10.822 -7.813 1.00 50.02 H new ATOM 0 HD2 PHE A 75 -9.604 8.853 -9.512 1.00 52.24 H new ATOM 0 HE1 PHE A 75 -13.852 8.655 -7.031 1.00 74.50 H new ATOM 0 HE2 PHE A 75 -10.471 6.695 -8.735 1.00 53.22 H new ATOM 0 HZ PHE A 75 -12.591 6.591 -7.489 1.00 34.23 H new ATOM 1214 N THR A 76 -11.981 13.951 -8.640 1.00 51.22 N ATOM 1215 CA THR A 76 -11.954 15.317 -8.085 1.00 12.32 C ATOM 1216 C THR A 76 -11.790 15.201 -6.541 1.00 23.45 C ATOM 1217 O THR A 76 -12.182 14.161 -5.983 1.00 53.31 O ATOM 1218 CB THR A 76 -13.257 16.118 -8.489 1.00 54.54 C ATOM 1219 OG1 THR A 76 -13.065 17.523 -8.298 1.00 64.52 O ATOM 1220 CG2 THR A 76 -14.498 15.673 -7.701 1.00 31.51 C ATOM 0 H THR A 76 -12.319 13.251 -7.979 1.00 51.22 H new ATOM 0 HA THR A 76 -11.115 15.880 -8.495 1.00 12.32 H new ATOM 0 HB THR A 76 -13.432 15.901 -9.543 1.00 54.54 H new ATOM 0 HG1 THR A 76 -13.880 18.002 -8.555 1.00 64.52 H new ATOM 0 HG21 THR A 76 -15.361 16.257 -8.021 1.00 31.51 H new ATOM 0 HG22 THR A 76 -14.687 14.616 -7.886 1.00 31.51 H new ATOM 0 HG23 THR A 76 -14.328 15.830 -6.636 1.00 31.51 H new ATOM 1228 N PRO A 77 -11.169 16.230 -5.836 1.00 71.12 N ATOM 1229 CA PRO A 77 -10.903 16.186 -4.369 1.00 2.53 C ATOM 1230 C PRO A 77 -12.109 15.731 -3.522 1.00 61.53 C ATOM 1231 O PRO A 77 -11.949 14.896 -2.620 1.00 35.15 O ATOM 1232 CB PRO A 77 -10.479 17.655 -4.017 1.00 25.22 C ATOM 1233 CG PRO A 77 -10.744 18.464 -5.256 1.00 42.44 C ATOM 1234 CD PRO A 77 -10.624 17.495 -6.408 1.00 71.51 C ATOM 0 HA PRO A 77 -10.139 15.444 -4.137 1.00 2.53 H new ATOM 0 HB2 PRO A 77 -11.052 18.036 -3.171 1.00 25.22 H new ATOM 0 HB3 PRO A 77 -9.427 17.702 -3.737 1.00 25.22 H new ATOM 0 HG2 PRO A 77 -11.736 18.915 -5.225 1.00 42.44 H new ATOM 0 HG3 PRO A 77 -10.026 19.279 -5.353 1.00 42.44 H new ATOM 0 HD2 PRO A 77 -11.195 17.826 -7.275 1.00 71.51 H new ATOM 0 HD3 PRO A 77 -9.590 17.379 -6.733 1.00 71.51 H new ATOM 1242 N GLU A 78 -13.308 16.249 -3.864 1.00 61.02 N ATOM 1243 CA GLU A 78 -14.554 15.985 -3.116 1.00 13.14 C ATOM 1244 C GLU A 78 -14.944 14.489 -3.125 1.00 71.34 C ATOM 1245 O GLU A 78 -15.527 14.001 -2.151 1.00 21.01 O ATOM 1246 CB GLU A 78 -15.713 16.875 -3.650 1.00 0.04 C ATOM 1247 CG GLU A 78 -15.499 18.383 -3.398 1.00 23.34 C ATOM 1248 CD GLU A 78 -16.659 19.262 -3.896 1.00 44.22 C ATOM 1249 OE1 GLU A 78 -17.645 19.450 -3.148 1.00 44.02 O ATOM 1250 OE2 GLU A 78 -16.598 19.767 -5.039 1.00 52.11 O ATOM 0 H GLU A 78 -13.438 16.863 -4.668 1.00 61.02 H new ATOM 0 HA GLU A 78 -14.367 16.249 -2.075 1.00 13.14 H new ATOM 0 HB2 GLU A 78 -15.826 16.706 -4.721 1.00 0.04 H new ATOM 0 HB3 GLU A 78 -16.645 16.565 -3.178 1.00 0.04 H new ATOM 0 HG2 GLU A 78 -15.362 18.548 -2.329 1.00 23.34 H new ATOM 0 HG3 GLU A 78 -14.579 18.698 -3.890 1.00 23.34 H new ATOM 1257 N GLU A 79 -14.598 13.764 -4.203 1.00 32.20 N ATOM 1258 CA GLU A 79 -14.891 12.316 -4.316 1.00 55.25 C ATOM 1259 C GLU A 79 -13.921 11.488 -3.477 1.00 2.12 C ATOM 1260 O GLU A 79 -14.330 10.589 -2.735 1.00 14.44 O ATOM 1261 CB GLU A 79 -14.815 11.855 -5.790 1.00 10.55 C ATOM 1262 CG GLU A 79 -15.833 12.536 -6.711 1.00 23.23 C ATOM 1263 CD GLU A 79 -17.284 12.305 -6.281 1.00 33.31 C ATOM 1264 OE1 GLU A 79 -17.846 11.245 -6.625 1.00 5.32 O ATOM 1265 OE2 GLU A 79 -17.867 13.176 -5.596 1.00 4.34 O ATOM 0 H GLU A 79 -14.114 14.154 -5.012 1.00 32.20 H new ATOM 0 HA GLU A 79 -15.902 12.159 -3.941 1.00 55.25 H new ATOM 0 HB2 GLU A 79 -13.812 12.049 -6.169 1.00 10.55 H new ATOM 0 HB3 GLU A 79 -14.968 10.777 -5.831 1.00 10.55 H new ATOM 0 HG2 GLU A 79 -15.634 13.607 -6.733 1.00 23.23 H new ATOM 0 HG3 GLU A 79 -15.699 12.166 -7.727 1.00 23.23 H new ATOM 1272 N ILE A 80 -12.637 11.822 -3.607 1.00 41.13 N ATOM 1273 CA ILE A 80 -11.536 11.079 -2.983 1.00 52.04 C ATOM 1274 C ILE A 80 -11.647 11.141 -1.445 1.00 24.04 C ATOM 1275 O ILE A 80 -11.539 10.112 -0.765 1.00 13.03 O ATOM 1276 CB ILE A 80 -10.160 11.655 -3.477 1.00 3.32 C ATOM 1277 CG1 ILE A 80 -10.090 11.628 -5.045 1.00 4.14 C ATOM 1278 CG2 ILE A 80 -8.974 10.881 -2.856 1.00 33.42 C ATOM 1279 CD1 ILE A 80 -8.904 12.367 -5.641 1.00 34.04 C ATOM 0 H ILE A 80 -12.326 12.625 -4.154 1.00 41.13 H new ATOM 0 HA ILE A 80 -11.597 10.031 -3.278 1.00 52.04 H new ATOM 0 HB ILE A 80 -10.085 12.691 -3.146 1.00 3.32 H new ATOM 0 HG12 ILE A 80 -10.057 10.590 -5.376 1.00 4.14 H new ATOM 0 HG13 ILE A 80 -11.008 12.061 -5.443 1.00 4.14 H new ATOM 0 HG21 ILE A 80 -8.036 11.303 -3.217 1.00 33.42 H new ATOM 0 HG22 ILE A 80 -9.015 10.963 -1.770 1.00 33.42 H new ATOM 0 HG23 ILE A 80 -9.034 9.831 -3.143 1.00 33.42 H new ATOM 0 HD11 ILE A 80 -8.939 12.294 -6.728 1.00 34.04 H new ATOM 0 HD12 ILE A 80 -8.943 13.416 -5.346 1.00 34.04 H new ATOM 0 HD13 ILE A 80 -7.978 11.922 -5.277 1.00 34.04 H new ATOM 1291 N LYS A 81 -11.959 12.348 -0.930 1.00 30.50 N ATOM 1292 CA LYS A 81 -12.108 12.594 0.516 1.00 53.44 C ATOM 1293 C LYS A 81 -13.408 11.967 1.069 1.00 44.20 C ATOM 1294 O LYS A 81 -13.489 11.657 2.259 1.00 34.31 O ATOM 1295 CB LYS A 81 -12.048 14.114 0.810 1.00 34.20 C ATOM 1296 CG LYS A 81 -13.275 14.937 0.346 1.00 1.43 C ATOM 1297 CD LYS A 81 -12.988 16.459 0.263 1.00 50.33 C ATOM 1298 CE LYS A 81 -12.441 17.055 1.569 1.00 35.22 C ATOM 1299 NZ LYS A 81 -12.162 18.509 1.435 1.00 54.44 N ATOM 0 H LYS A 81 -12.114 13.176 -1.505 1.00 30.50 H new ATOM 0 HA LYS A 81 -11.277 12.110 1.029 1.00 53.44 H new ATOM 0 HB2 LYS A 81 -11.926 14.253 1.884 1.00 34.20 H new ATOM 0 HB3 LYS A 81 -11.158 14.523 0.332 1.00 34.20 H new ATOM 0 HG2 LYS A 81 -13.596 14.580 -0.632 1.00 1.43 H new ATOM 0 HG3 LYS A 81 -14.102 14.766 1.035 1.00 1.43 H new ATOM 0 HD2 LYS A 81 -12.271 16.642 -0.538 1.00 50.33 H new ATOM 0 HD3 LYS A 81 -13.907 16.979 -0.007 1.00 50.33 H new ATOM 0 HE2 LYS A 81 -13.161 16.895 2.372 1.00 35.22 H new ATOM 0 HE3 LYS A 81 -11.527 16.534 1.852 1.00 35.22 H new ATOM 0 HZ1 LYS A 81 -11.794 18.876 2.336 1.00 54.44 H new ATOM 0 HZ2 LYS A 81 -11.456 18.660 0.686 1.00 54.44 H new ATOM 0 HZ3 LYS A 81 -13.040 19.010 1.189 1.00 54.44 H new ATOM 1313 N SER A 82 -14.406 11.764 0.181 1.00 44.32 N ATOM 1314 CA SER A 82 -15.707 11.167 0.540 1.00 53.42 C ATOM 1315 C SER A 82 -15.548 9.680 0.943 1.00 24.41 C ATOM 1316 O SER A 82 -16.353 9.156 1.723 1.00 21.52 O ATOM 1317 CB SER A 82 -16.687 11.316 -0.649 1.00 61.54 C ATOM 1318 OG SER A 82 -17.983 10.826 -0.350 1.00 3.20 O ATOM 0 H SER A 82 -14.330 12.011 -0.806 1.00 44.32 H new ATOM 0 HA SER A 82 -16.111 11.695 1.404 1.00 53.42 H new ATOM 0 HB2 SER A 82 -16.755 12.367 -0.929 1.00 61.54 H new ATOM 0 HB3 SER A 82 -16.290 10.781 -1.512 1.00 61.54 H new ATOM 0 HG SER A 82 -18.464 10.644 -1.184 1.00 3.20 H new ATOM 1324 N PHE A 83 -14.495 9.018 0.406 1.00 32.24 N ATOM 1325 CA PHE A 83 -14.174 7.613 0.734 1.00 63.02 C ATOM 1326 C PHE A 83 -13.558 7.487 2.145 1.00 43.13 C ATOM 1327 O PHE A 83 -13.650 6.424 2.766 1.00 52.34 O ATOM 1328 CB PHE A 83 -13.206 7.010 -0.309 1.00 33.21 C ATOM 1329 CG PHE A 83 -13.751 6.943 -1.735 1.00 63.22 C ATOM 1330 CD1 PHE A 83 -14.877 6.174 -2.032 1.00 61.11 C ATOM 1331 CD2 PHE A 83 -13.134 7.639 -2.779 1.00 74.31 C ATOM 1332 CE1 PHE A 83 -15.368 6.105 -3.324 1.00 54.31 C ATOM 1333 CE2 PHE A 83 -13.624 7.566 -4.069 1.00 32.44 C ATOM 1334 CZ PHE A 83 -14.741 6.800 -4.342 1.00 63.41 C ATOM 0 H PHE A 83 -13.850 9.441 -0.261 1.00 32.24 H new ATOM 0 HA PHE A 83 -15.112 7.057 0.715 1.00 63.02 H new ATOM 0 HB2 PHE A 83 -12.289 7.599 -0.314 1.00 33.21 H new ATOM 0 HB3 PHE A 83 -12.936 6.003 0.008 1.00 33.21 H new ATOM 0 HD1 PHE A 83 -15.371 5.626 -1.244 1.00 61.11 H new ATOM 0 HD2 PHE A 83 -12.262 8.242 -2.574 1.00 74.31 H new ATOM 0 HE1 PHE A 83 -16.242 5.508 -3.538 1.00 54.31 H new ATOM 0 HE2 PHE A 83 -13.134 8.108 -4.864 1.00 32.44 H new ATOM 0 HZ PHE A 83 -15.124 6.744 -5.350 1.00 63.41 H new ATOM 1344 N PHE A 84 -12.906 8.569 2.627 1.00 73.21 N ATOM 1345 CA PHE A 84 -12.359 8.637 4.004 1.00 65.54 C ATOM 1346 C PHE A 84 -13.490 8.880 5.017 1.00 1.52 C ATOM 1347 O PHE A 84 -13.379 8.494 6.190 1.00 11.42 O ATOM 1348 CB PHE A 84 -11.298 9.765 4.143 1.00 22.51 C ATOM 1349 CG PHE A 84 -10.043 9.583 3.286 1.00 70.43 C ATOM 1350 CD1 PHE A 84 -9.999 10.044 1.976 1.00 0.40 C ATOM 1351 CD2 PHE A 84 -8.902 8.969 3.800 1.00 2.53 C ATOM 1352 CE1 PHE A 84 -8.864 9.902 1.201 1.00 61.04 C ATOM 1353 CE2 PHE A 84 -7.769 8.821 3.024 1.00 34.13 C ATOM 1354 CZ PHE A 84 -7.751 9.291 1.725 1.00 71.00 C ATOM 0 H PHE A 84 -12.744 9.414 2.079 1.00 73.21 H new ATOM 0 HA PHE A 84 -11.877 7.681 4.210 1.00 65.54 H new ATOM 0 HB2 PHE A 84 -11.764 10.715 3.881 1.00 22.51 H new ATOM 0 HB3 PHE A 84 -10.998 9.834 5.189 1.00 22.51 H new ATOM 0 HD1 PHE A 84 -10.870 10.523 1.555 1.00 0.40 H new ATOM 0 HD2 PHE A 84 -8.904 8.605 4.817 1.00 2.53 H new ATOM 0 HE1 PHE A 84 -8.852 10.270 0.186 1.00 61.04 H new ATOM 0 HE2 PHE A 84 -6.895 8.337 3.434 1.00 34.13 H new ATOM 0 HZ PHE A 84 -6.862 9.178 1.122 1.00 71.00 H new ATOM 1364 N GLU A 85 -14.563 9.547 4.558 1.00 5.23 N ATOM 1365 CA GLU A 85 -15.722 9.866 5.396 1.00 74.21 C ATOM 1366 C GLU A 85 -16.579 8.613 5.630 1.00 24.22 C ATOM 1367 O GLU A 85 -17.324 8.179 4.744 1.00 34.25 O ATOM 1368 CB GLU A 85 -16.545 11.012 4.760 1.00 0.11 C ATOM 1369 CG GLU A 85 -15.780 12.347 4.625 1.00 70.45 C ATOM 1370 CD GLU A 85 -15.264 12.883 5.978 1.00 3.25 C ATOM 1371 OE1 GLU A 85 -16.050 13.496 6.723 1.00 21.01 O ATOM 1372 OE2 GLU A 85 -14.079 12.682 6.310 1.00 13.43 O ATOM 0 H GLU A 85 -14.647 9.878 3.597 1.00 5.23 H new ATOM 0 HA GLU A 85 -15.372 10.209 6.369 1.00 74.21 H new ATOM 0 HB2 GLU A 85 -16.880 10.697 3.772 1.00 0.11 H new ATOM 0 HB3 GLU A 85 -17.439 11.178 5.361 1.00 0.11 H new ATOM 0 HG2 GLU A 85 -14.936 12.210 3.949 1.00 70.45 H new ATOM 0 HG3 GLU A 85 -16.435 13.091 4.171 1.00 70.45 H new ATOM 1379 N ASN A 86 -16.426 8.022 6.824 1.00 20.51 N ATOM 1380 CA ASN A 86 -17.164 6.820 7.246 1.00 15.33 C ATOM 1381 C ASN A 86 -18.047 7.153 8.456 1.00 44.03 C ATOM 1382 O ASN A 86 -17.662 7.955 9.319 1.00 11.22 O ATOM 1383 CB ASN A 86 -16.175 5.669 7.575 1.00 23.32 C ATOM 1384 CG ASN A 86 -15.201 6.002 8.709 1.00 43.22 C ATOM 1385 OD1 ASN A 86 -15.437 5.677 9.872 1.00 23.22 O ATOM 1386 ND2 ASN A 86 -14.105 6.659 8.379 1.00 55.11 N ATOM 0 H ASN A 86 -15.779 8.368 7.533 1.00 20.51 H new ATOM 0 HA ASN A 86 -17.806 6.486 6.431 1.00 15.33 H new ATOM 0 HB2 ASN A 86 -16.743 4.779 7.845 1.00 23.32 H new ATOM 0 HB3 ASN A 86 -15.605 5.423 6.679 1.00 23.32 H new ATOM 0 HD21 ASN A 86 -13.426 6.911 9.097 1.00 55.11 H new ATOM 0 HD22 ASN A 86 -13.937 6.915 7.406 1.00 55.11 H new ATOM 1393 N LYS A 87 -19.237 6.545 8.500 1.00 61.20 N ATOM 1394 CA LYS A 87 -20.230 6.746 9.576 1.00 51.34 C ATOM 1395 C LYS A 87 -20.314 5.490 10.456 1.00 62.20 C ATOM 1396 O LYS A 87 -20.485 5.577 11.680 1.00 53.12 O ATOM 1397 CB LYS A 87 -21.612 7.067 8.953 1.00 21.34 C ATOM 1398 CG LYS A 87 -21.625 8.316 8.055 1.00 1.14 C ATOM 1399 CD LYS A 87 -23.030 8.631 7.494 1.00 34.32 C ATOM 1400 CE LYS A 87 -23.044 9.928 6.676 1.00 20.14 C ATOM 1401 NZ LYS A 87 -22.567 11.091 7.474 1.00 70.41 N ATOM 0 H LYS A 87 -19.548 5.890 7.783 1.00 61.20 H new ATOM 0 HA LYS A 87 -19.922 7.584 10.201 1.00 51.34 H new ATOM 0 HB2 LYS A 87 -21.942 6.209 8.367 1.00 21.34 H new ATOM 0 HB3 LYS A 87 -22.337 7.203 9.756 1.00 21.34 H new ATOM 0 HG2 LYS A 87 -21.265 9.172 8.625 1.00 1.14 H new ATOM 0 HG3 LYS A 87 -20.932 8.171 7.227 1.00 1.14 H new ATOM 0 HD2 LYS A 87 -23.364 7.804 6.868 1.00 34.32 H new ATOM 0 HD3 LYS A 87 -23.739 8.714 8.318 1.00 34.32 H new ATOM 0 HE2 LYS A 87 -22.413 9.809 5.795 1.00 20.14 H new ATOM 0 HE3 LYS A 87 -24.056 10.122 6.320 1.00 20.14 H new ATOM 0 HZ1 LYS A 87 -22.839 11.974 6.997 1.00 70.41 H new ATOM 0 HZ2 LYS A 87 -22.996 11.062 8.421 1.00 70.41 H new ATOM 0 HZ3 LYS A 87 -21.532 11.050 7.562 1.00 70.41 H new ATOM 1415 N GLY A 88 -20.180 4.321 9.806 1.00 21.32 N ATOM 1416 CA GLY A 88 -20.216 3.025 10.486 1.00 62.02 C ATOM 1417 C GLY A 88 -19.509 1.960 9.672 1.00 1.41 C ATOM 1418 O GLY A 88 -18.721 1.171 10.214 1.00 51.35 O ATOM 0 H GLY A 88 -20.044 4.253 8.797 1.00 21.32 H new ATOM 0 HA2 GLY A 88 -19.744 3.112 11.465 1.00 62.02 H new ATOM 0 HA3 GLY A 88 -21.251 2.729 10.656 1.00 62.02 H new ATOM 1422 N LYS A 89 -19.791 1.937 8.354 1.00 35.13 N ATOM 1423 CA LYS A 89 -19.111 1.036 7.409 1.00 34.24 C ATOM 1424 C LYS A 89 -17.669 1.514 7.184 1.00 52.03 C ATOM 1425 O LYS A 89 -17.417 2.722 7.097 1.00 33.51 O ATOM 1426 CB LYS A 89 -19.870 0.963 6.054 1.00 31.14 C ATOM 1427 CG LYS A 89 -21.316 0.413 6.139 1.00 1.20 C ATOM 1428 CD LYS A 89 -21.402 -1.025 6.712 1.00 63.35 C ATOM 1429 CE LYS A 89 -20.580 -2.054 5.904 1.00 12.54 C ATOM 1430 NZ LYS A 89 -20.969 -2.097 4.467 1.00 51.10 N ATOM 0 H LYS A 89 -20.491 2.538 7.920 1.00 35.13 H new ATOM 0 HA LYS A 89 -19.098 0.034 7.839 1.00 34.24 H new ATOM 0 HB2 LYS A 89 -19.903 1.962 5.620 1.00 31.14 H new ATOM 0 HB3 LYS A 89 -19.299 0.336 5.369 1.00 31.14 H new ATOM 0 HG2 LYS A 89 -21.913 1.079 6.762 1.00 1.20 H new ATOM 0 HG3 LYS A 89 -21.759 0.425 5.143 1.00 1.20 H new ATOM 0 HD2 LYS A 89 -21.051 -1.019 7.744 1.00 63.35 H new ATOM 0 HD3 LYS A 89 -22.446 -1.339 6.732 1.00 63.35 H new ATOM 0 HE2 LYS A 89 -19.521 -1.809 5.983 1.00 12.54 H new ATOM 0 HE3 LYS A 89 -20.712 -3.043 6.342 1.00 12.54 H new ATOM 0 HZ1 LYS A 89 -20.424 -2.838 3.982 1.00 51.10 H new ATOM 0 HZ2 LYS A 89 -21.985 -2.307 4.388 1.00 51.10 H new ATOM 0 HZ3 LYS A 89 -20.771 -1.176 4.026 1.00 51.10 H new ATOM 1444 N ARG A 90 -16.750 0.545 7.094 1.00 51.10 N ATOM 1445 CA ARG A 90 -15.301 0.781 6.990 1.00 2.41 C ATOM 1446 C ARG A 90 -14.947 1.623 5.734 1.00 51.41 C ATOM 1447 O ARG A 90 -15.498 1.364 4.654 1.00 41.23 O ATOM 1448 CB ARG A 90 -14.577 -0.589 6.971 1.00 23.10 C ATOM 1449 CG ARG A 90 -13.037 -0.510 6.923 1.00 14.21 C ATOM 1450 CD ARG A 90 -12.373 -1.855 7.222 1.00 60.15 C ATOM 1451 NE ARG A 90 -12.688 -2.884 6.216 1.00 13.54 N ATOM 1452 CZ ARG A 90 -13.002 -4.162 6.489 1.00 54.35 C ATOM 1453 NH1 ARG A 90 -13.063 -4.605 7.745 1.00 64.14 N ATOM 1454 NH2 ARG A 90 -13.229 -4.997 5.489 1.00 2.04 N ATOM 0 H ARG A 90 -16.995 -0.445 7.091 1.00 51.10 H new ATOM 0 HA ARG A 90 -14.968 1.358 7.853 1.00 2.41 H new ATOM 0 HB2 ARG A 90 -14.870 -1.150 7.858 1.00 23.10 H new ATOM 0 HB3 ARG A 90 -14.924 -1.155 6.107 1.00 23.10 H new ATOM 0 HG2 ARG A 90 -12.724 -0.165 5.937 1.00 14.21 H new ATOM 0 HG3 ARG A 90 -12.692 0.231 7.644 1.00 14.21 H new ATOM 0 HD2 ARG A 90 -11.293 -1.719 7.270 1.00 60.15 H new ATOM 0 HD3 ARG A 90 -12.694 -2.203 8.204 1.00 60.15 H new ATOM 0 HE ARG A 90 -12.666 -2.605 5.235 1.00 13.54 H new ATOM 0 HH11 ARG A 90 -12.870 -3.970 8.520 1.00 64.14 H new ATOM 0 HH12 ARG A 90 -13.303 -5.579 7.931 1.00 64.14 H new ATOM 0 HH21 ARG A 90 -13.165 -4.668 4.526 1.00 2.04 H new ATOM 0 HH22 ARG A 90 -13.468 -5.970 5.681 1.00 2.04 H new ATOM 1468 N PRO A 91 -14.048 2.663 5.864 1.00 41.32 N ATOM 1469 CA PRO A 91 -13.635 3.491 4.715 1.00 54.13 C ATOM 1470 C PRO A 91 -12.753 2.697 3.727 1.00 32.15 C ATOM 1471 O PRO A 91 -11.893 1.916 4.146 1.00 61.45 O ATOM 1472 CB PRO A 91 -12.860 4.668 5.374 1.00 12.15 C ATOM 1473 CG PRO A 91 -12.342 4.118 6.671 1.00 1.15 C ATOM 1474 CD PRO A 91 -13.377 3.105 7.131 1.00 44.10 C ATOM 0 HA PRO A 91 -14.478 3.832 4.114 1.00 54.13 H new ATOM 0 HB2 PRO A 91 -12.044 5.009 4.736 1.00 12.15 H new ATOM 0 HB3 PRO A 91 -13.513 5.525 5.542 1.00 12.15 H new ATOM 0 HG2 PRO A 91 -11.368 3.648 6.536 1.00 1.15 H new ATOM 0 HG3 PRO A 91 -12.214 4.910 7.409 1.00 1.15 H new ATOM 0 HD2 PRO A 91 -12.911 2.266 7.648 1.00 44.10 H new ATOM 0 HD3 PRO A 91 -14.090 3.551 7.825 1.00 44.10 H new ATOM 1482 N VAL A 92 -13.016 2.877 2.424 1.00 23.42 N ATOM 1483 CA VAL A 92 -12.215 2.264 1.346 1.00 63.04 C ATOM 1484 C VAL A 92 -10.833 2.931 1.302 1.00 72.01 C ATOM 1485 O VAL A 92 -9.806 2.278 1.158 1.00 15.43 O ATOM 1486 CB VAL A 92 -12.923 2.397 -0.055 1.00 14.40 C ATOM 1487 CG1 VAL A 92 -12.113 1.692 -1.182 1.00 73.02 C ATOM 1488 CG2 VAL A 92 -14.372 1.859 0.012 1.00 30.51 C ATOM 0 H VAL A 92 -13.788 3.450 2.085 1.00 23.42 H new ATOM 0 HA VAL A 92 -12.111 1.200 1.560 1.00 63.04 H new ATOM 0 HB VAL A 92 -12.963 3.457 -0.305 1.00 14.40 H new ATOM 0 HG11 VAL A 92 -12.635 1.807 -2.132 1.00 73.02 H new ATOM 0 HG12 VAL A 92 -11.123 2.143 -1.255 1.00 73.02 H new ATOM 0 HG13 VAL A 92 -12.013 0.632 -0.949 1.00 73.02 H new ATOM 0 HG21 VAL A 92 -14.843 1.960 -0.966 1.00 30.51 H new ATOM 0 HG22 VAL A 92 -14.357 0.808 0.301 1.00 30.51 H new ATOM 0 HG23 VAL A 92 -14.938 2.429 0.748 1.00 30.51 H new ATOM 1498 N PHE A 93 -10.840 4.261 1.416 1.00 52.34 N ATOM 1499 CA PHE A 93 -9.621 5.066 1.521 1.00 14.15 C ATOM 1500 C PHE A 93 -9.380 5.365 3.005 1.00 21.45 C ATOM 1501 O PHE A 93 -10.174 6.060 3.637 1.00 11.35 O ATOM 1502 CB PHE A 93 -9.764 6.377 0.699 1.00 51.23 C ATOM 1503 CG PHE A 93 -9.713 6.227 -0.831 1.00 3.43 C ATOM 1504 CD1 PHE A 93 -10.197 5.089 -1.483 1.00 3.44 C ATOM 1505 CD2 PHE A 93 -9.186 7.248 -1.619 1.00 32.31 C ATOM 1506 CE1 PHE A 93 -10.142 4.974 -2.858 1.00 2.11 C ATOM 1507 CE2 PHE A 93 -9.134 7.132 -2.995 1.00 51.33 C ATOM 1508 CZ PHE A 93 -9.612 5.997 -3.611 1.00 54.43 C ATOM 0 H PHE A 93 -11.697 4.813 1.438 1.00 52.34 H new ATOM 0 HA PHE A 93 -8.769 4.523 1.113 1.00 14.15 H new ATOM 0 HB2 PHE A 93 -10.710 6.847 0.966 1.00 51.23 H new ATOM 0 HB3 PHE A 93 -8.971 7.060 1.003 1.00 51.23 H new ATOM 0 HD1 PHE A 93 -10.622 4.285 -0.900 1.00 3.44 H new ATOM 0 HD2 PHE A 93 -8.812 8.144 -1.147 1.00 32.31 H new ATOM 0 HE1 PHE A 93 -10.514 4.083 -3.342 1.00 2.11 H new ATOM 0 HE2 PHE A 93 -8.718 7.933 -3.588 1.00 51.33 H new ATOM 0 HZ PHE A 93 -9.571 5.909 -4.687 1.00 54.43 H new ATOM 1518 N VAL A 94 -8.302 4.792 3.552 1.00 42.12 N ATOM 1519 CA VAL A 94 -7.927 4.934 4.975 1.00 50.13 C ATOM 1520 C VAL A 94 -6.614 5.740 5.079 1.00 31.24 C ATOM 1521 O VAL A 94 -5.823 5.750 4.131 1.00 25.10 O ATOM 1522 CB VAL A 94 -7.743 3.516 5.644 1.00 33.55 C ATOM 1523 CG1 VAL A 94 -7.503 3.632 7.159 1.00 51.40 C ATOM 1524 CG2 VAL A 94 -8.948 2.589 5.352 1.00 75.03 C ATOM 0 H VAL A 94 -7.655 4.210 3.020 1.00 42.12 H new ATOM 0 HA VAL A 94 -8.723 5.461 5.501 1.00 50.13 H new ATOM 0 HB VAL A 94 -6.856 3.066 5.197 1.00 33.55 H new ATOM 0 HG11 VAL A 94 -7.381 2.636 7.585 1.00 51.40 H new ATOM 0 HG12 VAL A 94 -6.602 4.218 7.341 1.00 51.40 H new ATOM 0 HG13 VAL A 94 -8.356 4.124 7.626 1.00 51.40 H new ATOM 0 HG21 VAL A 94 -8.787 1.622 5.828 1.00 75.03 H new ATOM 0 HG22 VAL A 94 -9.858 3.040 5.747 1.00 75.03 H new ATOM 0 HG23 VAL A 94 -9.049 2.451 4.275 1.00 75.03 H new ATOM 1534 N LYS A 95 -6.400 6.424 6.222 1.00 42.44 N ATOM 1535 CA LYS A 95 -5.146 7.149 6.499 1.00 35.12 C ATOM 1536 C LYS A 95 -4.898 7.278 8.010 1.00 75.00 C ATOM 1537 O LYS A 95 -5.727 6.878 8.824 1.00 21.54 O ATOM 1538 CB LYS A 95 -5.160 8.555 5.852 1.00 21.51 C ATOM 1539 CG LYS A 95 -6.213 9.531 6.435 1.00 64.24 C ATOM 1540 CD LYS A 95 -6.044 10.967 5.899 1.00 52.33 C ATOM 1541 CE LYS A 95 -4.680 11.576 6.281 1.00 23.24 C ATOM 1542 NZ LYS A 95 -4.490 12.926 5.704 1.00 41.32 N ATOM 0 H LYS A 95 -7.087 6.488 6.973 1.00 42.44 H new ATOM 0 HA LYS A 95 -4.335 6.567 6.060 1.00 35.12 H new ATOM 0 HB2 LYS A 95 -4.172 9.001 5.964 1.00 21.51 H new ATOM 0 HB3 LYS A 95 -5.341 8.445 4.783 1.00 21.51 H new ATOM 0 HG2 LYS A 95 -7.212 9.171 6.192 1.00 64.24 H new ATOM 0 HG3 LYS A 95 -6.133 9.540 7.522 1.00 64.24 H new ATOM 0 HD2 LYS A 95 -6.146 10.962 4.814 1.00 52.33 H new ATOM 0 HD3 LYS A 95 -6.843 11.596 6.292 1.00 52.33 H new ATOM 0 HE2 LYS A 95 -4.600 11.632 7.367 1.00 23.24 H new ATOM 0 HE3 LYS A 95 -3.881 10.919 5.936 1.00 23.24 H new ATOM 0 HZ1 LYS A 95 -3.800 13.454 6.276 1.00 41.32 H new ATOM 0 HZ2 LYS A 95 -4.138 12.840 4.729 1.00 41.32 H new ATOM 0 HZ3 LYS A 95 -5.398 13.433 5.701 1.00 41.32 H new ATOM 1556 N GLY A 96 -3.729 7.840 8.352 1.00 44.31 N ATOM 1557 CA GLY A 96 -3.333 8.104 9.737 1.00 75.05 C ATOM 1558 C GLY A 96 -1.866 7.777 9.925 1.00 5.10 C ATOM 1559 O GLY A 96 -1.053 8.127 9.073 1.00 53.05 O ATOM 0 H GLY A 96 -3.029 8.125 7.667 1.00 44.31 H new ATOM 0 HA2 GLY A 96 -3.516 9.150 9.984 1.00 75.05 H new ATOM 0 HA3 GLY A 96 -3.938 7.505 10.418 1.00 75.05 H new ATOM 1563 N SER A 97 -1.521 7.127 11.038 1.00 42.34 N ATOM 1564 CA SER A 97 -0.210 6.471 11.202 1.00 4.22 C ATOM 1565 C SER A 97 -0.275 5.053 10.590 1.00 22.53 C ATOM 1566 O SER A 97 -1.327 4.647 10.085 1.00 61.13 O ATOM 1567 CB SER A 97 0.166 6.418 12.702 1.00 33.35 C ATOM 1568 OG SER A 97 1.446 5.843 12.902 1.00 15.42 O ATOM 0 H SER A 97 -2.133 7.037 11.849 1.00 42.34 H new ATOM 0 HA SER A 97 0.562 7.040 10.683 1.00 4.22 H new ATOM 0 HB2 SER A 97 0.151 7.426 13.117 1.00 33.35 H new ATOM 0 HB3 SER A 97 -0.582 5.839 13.244 1.00 33.35 H new ATOM 0 HG SER A 97 1.651 5.827 13.860 1.00 15.42 H new ATOM 1574 N LEU A 98 0.848 4.307 10.633 1.00 2.11 N ATOM 1575 CA LEU A 98 0.901 2.916 10.137 1.00 40.24 C ATOM 1576 C LEU A 98 -0.083 2.030 10.926 1.00 21.02 C ATOM 1577 O LEU A 98 -0.917 1.331 10.339 1.00 42.22 O ATOM 1578 CB LEU A 98 2.341 2.347 10.252 1.00 52.34 C ATOM 1579 CG LEU A 98 2.535 0.877 9.745 1.00 11.35 C ATOM 1580 CD1 LEU A 98 2.199 0.737 8.243 1.00 55.01 C ATOM 1581 CD2 LEU A 98 3.957 0.362 10.047 1.00 71.50 C ATOM 0 H LEU A 98 1.734 4.646 11.008 1.00 2.11 H new ATOM 0 HA LEU A 98 0.612 2.916 9.086 1.00 40.24 H new ATOM 0 HB2 LEU A 98 3.014 2.996 9.692 1.00 52.34 H new ATOM 0 HB3 LEU A 98 2.648 2.395 11.297 1.00 52.34 H new ATOM 0 HG LEU A 98 1.830 0.253 10.294 1.00 11.35 H new ATOM 0 HD11 LEU A 98 2.347 -0.297 7.932 1.00 55.01 H new ATOM 0 HD12 LEU A 98 1.160 1.022 8.074 1.00 55.01 H new ATOM 0 HD13 LEU A 98 2.853 1.387 7.662 1.00 55.01 H new ATOM 0 HD21 LEU A 98 4.059 -0.660 9.683 1.00 71.50 H new ATOM 0 HD22 LEU A 98 4.688 0.999 9.549 1.00 71.50 H new ATOM 0 HD23 LEU A 98 4.131 0.383 11.123 1.00 71.50 H new ATOM 1593 N GLU A 99 0.019 2.110 12.263 1.00 33.13 N ATOM 1594 CA GLU A 99 -0.801 1.312 13.188 1.00 2.40 C ATOM 1595 C GLU A 99 -2.266 1.766 13.156 1.00 72.52 C ATOM 1596 O GLU A 99 -3.169 0.940 13.078 1.00 74.34 O ATOM 1597 CB GLU A 99 -0.245 1.425 14.623 1.00 71.34 C ATOM 1598 CG GLU A 99 1.201 0.914 14.770 1.00 13.12 C ATOM 1599 CD GLU A 99 1.712 1.015 16.213 1.00 5.03 C ATOM 1600 OE1 GLU A 99 1.421 0.110 17.020 1.00 3.41 O ATOM 1601 OE2 GLU A 99 2.373 2.017 16.554 1.00 22.43 O ATOM 0 H GLU A 99 0.675 2.733 12.734 1.00 33.13 H new ATOM 0 HA GLU A 99 -0.758 0.271 12.868 1.00 2.40 H new ATOM 0 HB2 GLU A 99 -0.286 2.468 14.938 1.00 71.34 H new ATOM 0 HB3 GLU A 99 -0.890 0.863 15.298 1.00 71.34 H new ATOM 0 HG2 GLU A 99 1.252 -0.124 14.441 1.00 13.12 H new ATOM 0 HG3 GLU A 99 1.855 1.489 14.114 1.00 13.12 H new ATOM 1608 N SER A 100 -2.465 3.096 13.191 1.00 32.43 N ATOM 1609 CA SER A 100 -3.796 3.727 13.226 1.00 54.13 C ATOM 1610 C SER A 100 -4.634 3.333 12.002 1.00 24.40 C ATOM 1611 O SER A 100 -5.770 2.856 12.136 1.00 74.42 O ATOM 1612 CB SER A 100 -3.622 5.257 13.285 1.00 1.42 C ATOM 1613 OG SER A 100 -2.786 5.620 14.366 1.00 5.42 O ATOM 0 H SER A 100 -1.699 3.769 13.196 1.00 32.43 H new ATOM 0 HA SER A 100 -4.328 3.379 14.111 1.00 54.13 H new ATOM 0 HB2 SER A 100 -3.193 5.616 12.350 1.00 1.42 H new ATOM 0 HB3 SER A 100 -4.595 5.735 13.394 1.00 1.42 H new ATOM 0 HG SER A 100 -2.684 6.594 14.388 1.00 5.42 H new ATOM 1619 N ALA A 101 -4.031 3.512 10.811 1.00 74.20 N ATOM 1620 CA ALA A 101 -4.660 3.192 9.520 1.00 62.43 C ATOM 1621 C ALA A 101 -4.943 1.685 9.391 1.00 31.15 C ATOM 1622 O ALA A 101 -5.883 1.287 8.708 1.00 24.33 O ATOM 1623 CB ALA A 101 -3.777 3.689 8.361 1.00 21.04 C ATOM 0 H ALA A 101 -3.086 3.886 10.720 1.00 74.20 H new ATOM 0 HA ALA A 101 -5.619 3.707 9.472 1.00 62.43 H new ATOM 0 HB1 ALA A 101 -4.253 3.446 7.411 1.00 21.04 H new ATOM 0 HB2 ALA A 101 -3.650 4.769 8.438 1.00 21.04 H new ATOM 0 HB3 ALA A 101 -2.802 3.204 8.413 1.00 21.04 H new ATOM 1629 N ALA A 102 -4.126 0.867 10.075 1.00 53.11 N ATOM 1630 CA ALA A 102 -4.276 -0.595 10.093 1.00 53.55 C ATOM 1631 C ALA A 102 -5.537 -1.009 10.871 1.00 55.24 C ATOM 1632 O ALA A 102 -6.281 -1.894 10.436 1.00 53.24 O ATOM 1633 CB ALA A 102 -3.031 -1.222 10.719 1.00 23.04 C ATOM 0 H ALA A 102 -3.341 1.204 10.632 1.00 53.11 H new ATOM 0 HA ALA A 102 -4.386 -0.952 9.069 1.00 53.55 H new ATOM 0 HB1 ALA A 102 -3.138 -2.307 10.734 1.00 23.04 H new ATOM 0 HB2 ALA A 102 -2.153 -0.952 10.132 1.00 23.04 H new ATOM 0 HB3 ALA A 102 -2.912 -0.855 11.738 1.00 23.04 H new ATOM 1639 N GLU A 103 -5.763 -0.336 12.015 1.00 31.03 N ATOM 1640 CA GLU A 103 -6.923 -0.585 12.896 1.00 52.10 C ATOM 1641 C GLU A 103 -8.232 -0.192 12.192 1.00 3.22 C ATOM 1642 O GLU A 103 -9.231 -0.913 12.263 1.00 13.44 O ATOM 1643 CB GLU A 103 -6.752 0.203 14.222 1.00 50.41 C ATOM 1644 CG GLU A 103 -5.445 -0.129 14.961 1.00 53.41 C ATOM 1645 CD GLU A 103 -5.217 0.729 16.209 1.00 32.21 C ATOM 1646 OE1 GLU A 103 -4.623 1.820 16.089 1.00 21.22 O ATOM 1647 OE2 GLU A 103 -5.635 0.324 17.314 1.00 13.43 O ATOM 0 H GLU A 103 -5.144 0.399 12.357 1.00 31.03 H new ATOM 0 HA GLU A 103 -6.973 -1.650 13.124 1.00 52.10 H new ATOM 0 HB2 GLU A 103 -6.779 1.271 14.008 1.00 50.41 H new ATOM 0 HB3 GLU A 103 -7.597 -0.013 14.877 1.00 50.41 H new ATOM 0 HG2 GLU A 103 -5.456 -1.180 15.249 1.00 53.41 H new ATOM 0 HG3 GLU A 103 -4.606 0.006 14.278 1.00 53.41 H new ATOM 1654 N GLN A 104 -8.187 0.951 11.489 1.00 64.44 N ATOM 1655 CA GLN A 104 -9.328 1.486 10.722 1.00 54.11 C ATOM 1656 C GLN A 104 -9.626 0.611 9.484 1.00 24.40 C ATOM 1657 O GLN A 104 -10.787 0.450 9.104 1.00 74.34 O ATOM 1658 CB GLN A 104 -9.032 2.941 10.293 1.00 14.31 C ATOM 1659 CG GLN A 104 -8.789 3.912 11.459 1.00 45.30 C ATOM 1660 CD GLN A 104 -8.311 5.284 10.990 1.00 43.53 C ATOM 1661 OE1 GLN A 104 -9.100 6.184 10.738 1.00 73.10 O ATOM 1662 NE2 GLN A 104 -7.013 5.446 10.855 1.00 42.41 N ATOM 0 H GLN A 104 -7.353 1.535 11.435 1.00 64.44 H new ATOM 0 HA GLN A 104 -10.211 1.472 11.361 1.00 54.11 H new ATOM 0 HB2 GLN A 104 -8.155 2.944 9.645 1.00 14.31 H new ATOM 0 HB3 GLN A 104 -9.869 3.309 9.699 1.00 14.31 H new ATOM 0 HG2 GLN A 104 -9.711 4.028 12.029 1.00 45.30 H new ATOM 0 HG3 GLN A 104 -8.048 3.485 12.135 1.00 45.30 H new ATOM 0 HE21 GLN A 104 -6.378 4.678 11.072 1.00 42.41 H new ATOM 0 HE22 GLN A 104 -6.641 6.340 10.533 1.00 42.41 H new ATOM 1671 N ALA A 105 -8.566 0.047 8.869 1.00 22.33 N ATOM 1672 CA ALA A 105 -8.692 -0.854 7.698 1.00 73.32 C ATOM 1673 C ALA A 105 -8.971 -2.312 8.128 1.00 21.34 C ATOM 1674 O ALA A 105 -9.299 -3.155 7.284 1.00 62.41 O ATOM 1675 CB ALA A 105 -7.433 -0.774 6.823 1.00 73.14 C ATOM 0 H ALA A 105 -7.602 0.200 9.166 1.00 22.33 H new ATOM 0 HA ALA A 105 -9.547 -0.519 7.110 1.00 73.32 H new ATOM 0 HB1 ALA A 105 -7.541 -1.441 5.968 1.00 73.14 H new ATOM 0 HB2 ALA A 105 -7.299 0.249 6.471 1.00 73.14 H new ATOM 0 HB3 ALA A 105 -6.563 -1.073 7.408 1.00 73.14 H new ATOM 1681 N GLY A 106 -8.828 -2.594 9.439 1.00 73.45 N ATOM 1682 CA GLY A 106 -9.182 -3.898 10.012 1.00 54.23 C ATOM 1683 C GLY A 106 -8.202 -5.007 9.649 1.00 74.43 C ATOM 1684 O GLY A 106 -8.578 -6.181 9.581 1.00 62.22 O ATOM 0 H GLY A 106 -8.467 -1.927 10.121 1.00 73.45 H new ATOM 0 HA2 GLY A 106 -9.231 -3.808 11.097 1.00 54.23 H new ATOM 0 HA3 GLY A 106 -10.178 -4.178 9.670 1.00 54.23 H new ATOM 1688 N ILE A 107 -6.945 -4.619 9.408 1.00 62.44 N ATOM 1689 CA ILE A 107 -5.847 -5.542 9.073 1.00 43.55 C ATOM 1690 C ILE A 107 -5.107 -5.921 10.375 1.00 10.22 C ATOM 1691 O ILE A 107 -5.161 -5.162 11.359 1.00 72.45 O ATOM 1692 CB ILE A 107 -4.827 -4.867 8.077 1.00 1.44 C ATOM 1693 CG1 ILE A 107 -5.548 -4.063 6.955 1.00 74.52 C ATOM 1694 CG2 ILE A 107 -3.882 -5.912 7.442 1.00 22.54 C ATOM 1695 CD1 ILE A 107 -4.602 -3.246 6.085 1.00 71.41 C ATOM 0 H ILE A 107 -6.654 -3.642 9.440 1.00 62.44 H new ATOM 0 HA ILE A 107 -6.263 -6.428 8.593 1.00 43.55 H new ATOM 0 HB ILE A 107 -4.236 -4.169 8.670 1.00 1.44 H new ATOM 0 HG12 ILE A 107 -6.103 -4.756 6.322 1.00 74.52 H new ATOM 0 HG13 ILE A 107 -6.278 -3.394 7.411 1.00 74.52 H new ATOM 0 HG21 ILE A 107 -3.192 -5.413 6.761 1.00 22.54 H new ATOM 0 HG22 ILE A 107 -3.317 -6.416 8.226 1.00 22.54 H new ATOM 0 HG23 ILE A 107 -4.469 -6.646 6.890 1.00 22.54 H new ATOM 0 HD11 ILE A 107 -5.175 -2.713 5.326 1.00 71.41 H new ATOM 0 HD12 ILE A 107 -4.066 -2.528 6.706 1.00 71.41 H new ATOM 0 HD13 ILE A 107 -3.888 -3.911 5.600 1.00 71.41 H new ATOM 1707 N VAL A 108 -4.417 -7.081 10.393 1.00 13.20 N ATOM 1708 CA VAL A 108 -3.557 -7.462 11.531 1.00 71.20 C ATOM 1709 C VAL A 108 -2.313 -6.543 11.551 1.00 32.24 C ATOM 1710 O VAL A 108 -1.386 -6.684 10.725 1.00 55.11 O ATOM 1711 CB VAL A 108 -3.128 -8.970 11.485 1.00 31.43 C ATOM 1712 CG1 VAL A 108 -2.247 -9.358 12.703 1.00 33.13 C ATOM 1713 CG2 VAL A 108 -4.363 -9.890 11.378 1.00 1.41 C ATOM 0 H VAL A 108 -4.439 -7.765 9.637 1.00 13.20 H new ATOM 0 HA VAL A 108 -4.134 -7.335 12.447 1.00 71.20 H new ATOM 0 HB VAL A 108 -2.520 -9.109 10.591 1.00 31.43 H new ATOM 0 HG11 VAL A 108 -1.972 -10.410 12.632 1.00 33.13 H new ATOM 0 HG12 VAL A 108 -1.345 -8.747 12.709 1.00 33.13 H new ATOM 0 HG13 VAL A 108 -2.805 -9.190 13.624 1.00 33.13 H new ATOM 0 HG21 VAL A 108 -4.040 -10.931 11.348 1.00 1.41 H new ATOM 0 HG22 VAL A 108 -5.008 -9.735 12.243 1.00 1.41 H new ATOM 0 HG23 VAL A 108 -4.914 -9.655 10.468 1.00 1.41 H new ATOM 1723 N VAL A 109 -2.347 -5.583 12.498 1.00 75.34 N ATOM 1724 CA VAL A 109 -1.331 -4.527 12.651 1.00 1.31 C ATOM 1725 C VAL A 109 0.070 -5.136 12.806 1.00 34.05 C ATOM 1726 O VAL A 109 1.011 -4.702 12.155 1.00 41.13 O ATOM 1727 CB VAL A 109 -1.633 -3.603 13.895 1.00 61.42 C ATOM 1728 CG1 VAL A 109 -0.625 -2.430 13.987 1.00 13.14 C ATOM 1729 CG2 VAL A 109 -3.093 -3.087 13.874 1.00 70.32 C ATOM 0 H VAL A 109 -3.095 -5.521 13.189 1.00 75.34 H new ATOM 0 HA VAL A 109 -1.367 -3.919 11.747 1.00 1.31 H new ATOM 0 HB VAL A 109 -1.511 -4.212 14.791 1.00 61.42 H new ATOM 0 HG11 VAL A 109 -0.862 -1.814 14.854 1.00 13.14 H new ATOM 0 HG12 VAL A 109 0.386 -2.826 14.088 1.00 13.14 H new ATOM 0 HG13 VAL A 109 -0.689 -1.824 13.083 1.00 13.14 H new ATOM 0 HG21 VAL A 109 -3.268 -2.454 14.744 1.00 70.32 H new ATOM 0 HG22 VAL A 109 -3.262 -2.509 12.965 1.00 70.32 H new ATOM 0 HG23 VAL A 109 -3.779 -3.934 13.898 1.00 70.32 H new ATOM 1739 N ASP A 110 0.156 -6.184 13.644 1.00 34.52 N ATOM 1740 CA ASP A 110 1.415 -6.855 14.003 1.00 72.00 C ATOM 1741 C ASP A 110 2.163 -7.374 12.755 1.00 3.22 C ATOM 1742 O ASP A 110 3.374 -7.158 12.618 1.00 65.41 O ATOM 1743 CB ASP A 110 1.123 -8.019 14.994 1.00 1.32 C ATOM 1744 CG ASP A 110 2.410 -8.694 15.511 1.00 21.12 C ATOM 1745 OD1 ASP A 110 3.040 -8.152 16.435 1.00 4.24 O ATOM 1746 OD2 ASP A 110 2.804 -9.756 14.979 1.00 63.42 O ATOM 0 H ASP A 110 -0.661 -6.594 14.097 1.00 34.52 H new ATOM 0 HA ASP A 110 2.065 -6.125 14.486 1.00 72.00 H new ATOM 0 HB2 ASP A 110 0.553 -7.636 15.840 1.00 1.32 H new ATOM 0 HB3 ASP A 110 0.499 -8.764 14.500 1.00 1.32 H new ATOM 1751 N GLU A 111 1.416 -8.026 11.839 1.00 34.33 N ATOM 1752 CA GLU A 111 1.996 -8.654 10.636 1.00 72.34 C ATOM 1753 C GLU A 111 2.423 -7.606 9.599 1.00 52.01 C ATOM 1754 O GLU A 111 3.479 -7.763 8.979 1.00 14.24 O ATOM 1755 CB GLU A 111 1.018 -9.674 9.998 1.00 1.21 C ATOM 1756 CG GLU A 111 0.616 -10.828 10.932 1.00 33.22 C ATOM 1757 CD GLU A 111 -0.211 -11.907 10.216 1.00 32.13 C ATOM 1758 OE1 GLU A 111 0.375 -12.670 9.411 1.00 20.15 O ATOM 1759 OE2 GLU A 111 -1.436 -12.003 10.449 1.00 61.42 O ATOM 0 H GLU A 111 0.404 -8.131 11.912 1.00 34.33 H new ATOM 0 HA GLU A 111 2.887 -9.192 10.961 1.00 72.34 H new ATOM 0 HB2 GLU A 111 0.118 -9.148 9.680 1.00 1.21 H new ATOM 0 HB3 GLU A 111 1.478 -10.090 9.101 1.00 1.21 H new ATOM 0 HG2 GLU A 111 1.514 -11.282 11.350 1.00 33.22 H new ATOM 0 HG3 GLU A 111 0.041 -10.430 11.768 1.00 33.22 H new ATOM 1766 N LEU A 112 1.617 -6.531 9.404 1.00 53.25 N ATOM 1767 CA LEU A 112 1.997 -5.454 8.454 1.00 23.24 C ATOM 1768 C LEU A 112 3.136 -4.583 9.006 1.00 23.30 C ATOM 1769 O LEU A 112 3.879 -3.982 8.236 1.00 14.03 O ATOM 1770 CB LEU A 112 0.777 -4.599 8.003 1.00 31.42 C ATOM 1771 CG LEU A 112 -0.046 -3.823 9.094 1.00 54.23 C ATOM 1772 CD1 LEU A 112 0.617 -2.493 9.533 1.00 41.20 C ATOM 1773 CD2 LEU A 112 -1.473 -3.571 8.604 1.00 43.54 C ATOM 0 H LEU A 112 0.725 -6.388 9.877 1.00 53.25 H new ATOM 0 HA LEU A 112 2.374 -5.948 7.558 1.00 23.24 H new ATOM 0 HB2 LEU A 112 1.136 -3.868 7.278 1.00 31.42 H new ATOM 0 HB3 LEU A 112 0.088 -5.259 7.476 1.00 31.42 H new ATOM 0 HG LEU A 112 -0.069 -4.462 9.977 1.00 54.23 H new ATOM 0 HD11 LEU A 112 -0.003 -2.009 10.287 1.00 41.20 H new ATOM 0 HD12 LEU A 112 1.603 -2.698 9.951 1.00 41.20 H new ATOM 0 HD13 LEU A 112 0.719 -1.835 8.670 1.00 41.20 H new ATOM 0 HD21 LEU A 112 -2.031 -3.033 9.370 1.00 43.54 H new ATOM 0 HD22 LEU A 112 -1.444 -2.977 7.691 1.00 43.54 H new ATOM 0 HD23 LEU A 112 -1.962 -4.524 8.401 1.00 43.54 H new ATOM 1785 N VAL A 113 3.262 -4.522 10.340 1.00 63.53 N ATOM 1786 CA VAL A 113 4.377 -3.821 11.005 1.00 74.24 C ATOM 1787 C VAL A 113 5.676 -4.591 10.746 1.00 42.51 C ATOM 1788 O VAL A 113 6.700 -3.969 10.530 1.00 72.34 O ATOM 1789 CB VAL A 113 4.131 -3.583 12.557 1.00 53.33 C ATOM 1790 CG1 VAL A 113 5.431 -3.191 13.312 1.00 14.31 C ATOM 1791 CG2 VAL A 113 3.055 -2.485 12.773 1.00 72.02 C ATOM 0 H VAL A 113 2.601 -4.953 10.986 1.00 63.53 H new ATOM 0 HA VAL A 113 4.453 -2.822 10.575 1.00 74.24 H new ATOM 0 HB VAL A 113 3.782 -4.530 12.968 1.00 53.33 H new ATOM 0 HG11 VAL A 113 5.207 -3.040 14.368 1.00 14.31 H new ATOM 0 HG12 VAL A 113 6.167 -3.988 13.207 1.00 14.31 H new ATOM 0 HG13 VAL A 113 5.832 -2.269 12.891 1.00 14.31 H new ATOM 0 HG21 VAL A 113 2.898 -2.334 13.841 1.00 72.02 H new ATOM 0 HG22 VAL A 113 3.391 -1.552 12.320 1.00 72.02 H new ATOM 0 HG23 VAL A 113 2.119 -2.797 12.310 1.00 72.02 H new ATOM 1801 N GLN A 114 5.602 -5.943 10.710 1.00 54.43 N ATOM 1802 CA GLN A 114 6.750 -6.798 10.327 1.00 23.45 C ATOM 1803 C GLN A 114 7.118 -6.516 8.867 1.00 50.12 C ATOM 1804 O GLN A 114 8.259 -6.222 8.546 1.00 72.40 O ATOM 1805 CB GLN A 114 6.423 -8.309 10.495 1.00 51.31 C ATOM 1806 CG GLN A 114 6.149 -8.771 11.937 1.00 71.44 C ATOM 1807 CD GLN A 114 7.313 -8.470 12.884 1.00 12.10 C ATOM 1808 OE1 GLN A 114 8.246 -9.261 13.013 1.00 43.51 O ATOM 1809 NE2 GLN A 114 7.257 -7.339 13.568 1.00 1.00 N ATOM 0 H GLN A 114 4.757 -6.465 10.942 1.00 54.43 H new ATOM 0 HA GLN A 114 7.586 -6.562 10.985 1.00 23.45 H new ATOM 0 HB2 GLN A 114 5.551 -8.544 9.885 1.00 51.31 H new ATOM 0 HB3 GLN A 114 7.256 -8.889 10.098 1.00 51.31 H new ATOM 0 HG2 GLN A 114 5.249 -8.280 12.307 1.00 71.44 H new ATOM 0 HG3 GLN A 114 5.952 -9.843 11.940 1.00 71.44 H new ATOM 0 HE21 GLN A 114 6.470 -6.703 13.439 1.00 1.00 H new ATOM 0 HE22 GLN A 114 8.001 -7.103 14.224 1.00 1.00 H new ATOM 1818 N THR A 115 6.088 -6.563 8.029 1.00 63.55 N ATOM 1819 CA THR A 115 6.160 -6.332 6.590 1.00 33.11 C ATOM 1820 C THR A 115 6.839 -4.985 6.230 1.00 50.42 C ATOM 1821 O THR A 115 7.688 -4.941 5.334 1.00 75.21 O ATOM 1822 CB THR A 115 4.708 -6.419 6.036 1.00 4.45 C ATOM 1823 OG1 THR A 115 4.234 -7.766 6.182 1.00 64.10 O ATOM 1824 CG2 THR A 115 4.572 -5.987 4.582 1.00 61.35 C ATOM 0 H THR A 115 5.141 -6.772 8.346 1.00 63.55 H new ATOM 0 HA THR A 115 6.791 -7.091 6.128 1.00 33.11 H new ATOM 0 HB THR A 115 4.108 -5.719 6.617 1.00 4.45 H new ATOM 0 HG1 THR A 115 3.277 -7.800 5.974 1.00 64.10 H new ATOM 0 HG21 THR A 115 3.531 -6.077 4.272 1.00 61.35 H new ATOM 0 HG22 THR A 115 4.893 -4.951 4.479 1.00 61.35 H new ATOM 0 HG23 THR A 115 5.194 -6.624 3.953 1.00 61.35 H new ATOM 1832 N VAL A 116 6.478 -3.913 6.959 1.00 32.32 N ATOM 1833 CA VAL A 116 6.996 -2.551 6.719 1.00 24.10 C ATOM 1834 C VAL A 116 8.364 -2.332 7.412 1.00 44.21 C ATOM 1835 O VAL A 116 9.241 -1.728 6.810 1.00 63.14 O ATOM 1836 CB VAL A 116 5.948 -1.455 7.163 1.00 61.11 C ATOM 1837 CG1 VAL A 116 6.512 -0.012 7.048 1.00 20.43 C ATOM 1838 CG2 VAL A 116 4.642 -1.587 6.332 1.00 42.25 C ATOM 0 H VAL A 116 5.817 -3.966 7.734 1.00 32.32 H new ATOM 0 HA VAL A 116 7.154 -2.446 5.646 1.00 24.10 H new ATOM 0 HB VAL A 116 5.728 -1.633 8.216 1.00 61.11 H new ATOM 0 HG11 VAL A 116 5.752 0.702 7.365 1.00 20.43 H new ATOM 0 HG12 VAL A 116 7.391 0.087 7.685 1.00 20.43 H new ATOM 0 HG13 VAL A 116 6.789 0.189 6.013 1.00 20.43 H new ATOM 0 HG21 VAL A 116 3.930 -0.825 6.650 1.00 42.25 H new ATOM 0 HG22 VAL A 116 4.869 -1.453 5.274 1.00 42.25 H new ATOM 0 HG23 VAL A 116 4.210 -2.575 6.488 1.00 42.25 H new ATOM 1848 N LYS A 117 8.555 -2.838 8.649 1.00 2.21 N ATOM 1849 CA LYS A 117 9.810 -2.597 9.421 1.00 5.32 C ATOM 1850 C LYS A 117 10.987 -3.369 8.807 1.00 31.33 C ATOM 1851 O LYS A 117 12.129 -2.904 8.849 1.00 43.45 O ATOM 1852 CB LYS A 117 9.666 -2.976 10.925 1.00 2.44 C ATOM 1853 CG LYS A 117 9.668 -4.499 11.236 1.00 73.14 C ATOM 1854 CD LYS A 117 9.495 -4.820 12.737 1.00 33.42 C ATOM 1855 CE LYS A 117 10.648 -4.283 13.605 1.00 34.20 C ATOM 1856 NZ LYS A 117 10.444 -4.580 15.046 1.00 73.50 N ATOM 0 H LYS A 117 7.868 -3.412 9.138 1.00 2.21 H new ATOM 0 HA LYS A 117 10.007 -1.526 9.364 1.00 5.32 H new ATOM 0 HB2 LYS A 117 10.481 -2.509 11.479 1.00 2.44 H new ATOM 0 HB3 LYS A 117 8.737 -2.547 11.302 1.00 2.44 H new ATOM 0 HG2 LYS A 117 8.865 -4.978 10.675 1.00 73.14 H new ATOM 0 HG3 LYS A 117 10.605 -4.932 10.885 1.00 73.14 H new ATOM 0 HD2 LYS A 117 8.555 -4.394 13.088 1.00 33.42 H new ATOM 0 HD3 LYS A 117 9.423 -5.900 12.866 1.00 33.42 H new ATOM 0 HE2 LYS A 117 11.588 -4.725 13.273 1.00 34.20 H new ATOM 0 HE3 LYS A 117 10.735 -3.205 13.466 1.00 34.20 H new ATOM 0 HZ1 LYS A 117 11.242 -4.202 15.595 1.00 73.50 H new ATOM 0 HZ2 LYS A 117 9.560 -4.137 15.370 1.00 73.50 H new ATOM 0 HZ3 LYS A 117 10.386 -5.609 15.184 1.00 73.50 H new ATOM 1870 N ASN A 118 10.683 -4.564 8.272 1.00 10.02 N ATOM 1871 CA ASN A 118 11.671 -5.432 7.627 1.00 43.45 C ATOM 1872 C ASN A 118 11.968 -4.905 6.229 1.00 43.14 C ATOM 1873 O ASN A 118 13.120 -4.941 5.807 1.00 74.22 O ATOM 1874 CB ASN A 118 11.191 -6.908 7.594 1.00 10.13 C ATOM 1875 CG ASN A 118 10.997 -7.496 9.001 1.00 1.41 C ATOM 1876 OD1 ASN A 118 11.659 -7.098 9.964 1.00 3.22 O ATOM 1877 ND2 ASN A 118 10.091 -8.442 9.130 1.00 75.11 N ATOM 0 H ASN A 118 9.740 -4.952 8.277 1.00 10.02 H new ATOM 0 HA ASN A 118 12.592 -5.418 8.209 1.00 43.45 H new ATOM 0 HB2 ASN A 118 10.251 -6.969 7.046 1.00 10.13 H new ATOM 0 HB3 ASN A 118 11.917 -7.511 7.049 1.00 10.13 H new ATOM 0 HD21 ASN A 118 9.922 -8.865 10.043 1.00 75.11 H new ATOM 0 HD22 ASN A 118 9.558 -8.752 8.317 1.00 75.11 H new ATOM 1884 N TYR A 119 10.915 -4.383 5.537 1.00 53.50 N ATOM 1885 CA TYR A 119 11.073 -3.675 4.253 1.00 41.31 C ATOM 1886 C TYR A 119 12.068 -2.520 4.427 1.00 73.22 C ATOM 1887 O TYR A 119 13.154 -2.558 3.861 1.00 44.41 O ATOM 1888 CB TYR A 119 9.706 -3.156 3.709 1.00 4.01 C ATOM 1889 CG TYR A 119 9.810 -2.279 2.445 1.00 35.43 C ATOM 1890 CD1 TYR A 119 10.248 -2.814 1.231 1.00 12.14 C ATOM 1891 CD2 TYR A 119 9.478 -0.916 2.468 1.00 22.20 C ATOM 1892 CE1 TYR A 119 10.357 -2.037 0.099 1.00 23.43 C ATOM 1893 CE2 TYR A 119 9.583 -0.136 1.330 1.00 40.23 C ATOM 1894 CZ TYR A 119 10.026 -0.702 0.151 1.00 44.24 C ATOM 1895 OH TYR A 119 10.137 0.065 -0.990 1.00 64.03 O ATOM 0 H TYR A 119 9.948 -4.445 5.857 1.00 53.50 H new ATOM 0 HA TYR A 119 11.462 -4.377 3.516 1.00 41.31 H new ATOM 0 HB2 TYR A 119 9.068 -4.012 3.490 1.00 4.01 H new ATOM 0 HB3 TYR A 119 9.212 -2.583 4.493 1.00 4.01 H new ATOM 0 HD1 TYR A 119 10.507 -3.861 1.179 1.00 12.14 H new ATOM 0 HD2 TYR A 119 9.135 -0.468 3.389 1.00 22.20 H new ATOM 0 HE1 TYR A 119 10.701 -2.474 -0.827 1.00 23.43 H new ATOM 0 HE2 TYR A 119 9.320 0.911 1.364 1.00 40.23 H new ATOM 0 HH TYR A 119 10.439 0.966 -0.750 1.00 64.03 H new ATOM 1905 N GLN A 120 11.697 -1.551 5.280 1.00 65.43 N ATOM 1906 CA GLN A 120 12.513 -0.368 5.593 1.00 3.30 C ATOM 1907 C GLN A 120 13.899 -0.769 6.137 1.00 3.21 C ATOM 1908 O GLN A 120 14.905 -0.095 5.862 1.00 13.44 O ATOM 1909 CB GLN A 120 11.773 0.542 6.618 1.00 24.22 C ATOM 1910 CG GLN A 120 10.445 1.140 6.099 1.00 1.02 C ATOM 1911 CD GLN A 120 9.804 2.149 7.061 1.00 4.33 C ATOM 1912 OE1 GLN A 120 9.919 2.032 8.282 1.00 31.44 O ATOM 1913 NE2 GLN A 120 9.147 3.160 6.512 1.00 35.34 N ATOM 0 H GLN A 120 10.808 -1.569 5.779 1.00 65.43 H new ATOM 0 HA GLN A 120 12.665 0.188 4.668 1.00 3.30 H new ATOM 0 HB2 GLN A 120 11.569 -0.037 7.519 1.00 24.22 H new ATOM 0 HB3 GLN A 120 12.436 1.357 6.907 1.00 24.22 H new ATOM 0 HG2 GLN A 120 10.627 1.629 5.142 1.00 1.02 H new ATOM 0 HG3 GLN A 120 9.740 0.330 5.914 1.00 1.02 H new ATOM 0 HE21 GLN A 120 9.070 3.227 5.497 1.00 35.34 H new ATOM 0 HE22 GLN A 120 8.718 3.871 7.104 1.00 35.34 H new ATOM 1922 N GLY A 121 13.922 -1.888 6.877 1.00 41.14 N ATOM 1923 CA GLY A 121 15.129 -2.398 7.508 1.00 42.55 C ATOM 1924 C GLY A 121 16.158 -2.877 6.496 1.00 51.30 C ATOM 1925 O GLY A 121 17.353 -2.642 6.674 1.00 4.22 O ATOM 0 H GLY A 121 13.096 -2.460 7.050 1.00 41.14 H new ATOM 0 HA2 GLY A 121 15.570 -1.616 8.127 1.00 42.55 H new ATOM 0 HA3 GLY A 121 14.867 -3.221 8.173 1.00 42.55 H new ATOM 1929 N TYR A 122 15.695 -3.561 5.431 1.00 32.30 N ATOM 1930 CA TYR A 122 16.591 -4.087 4.385 1.00 35.34 C ATOM 1931 C TYR A 122 16.889 -3.048 3.285 1.00 50.52 C ATOM 1932 O TYR A 122 17.857 -3.203 2.530 1.00 14.01 O ATOM 1933 CB TYR A 122 16.068 -5.443 3.819 1.00 64.43 C ATOM 1934 CG TYR A 122 14.731 -5.504 3.017 1.00 42.42 C ATOM 1935 CD1 TYR A 122 14.473 -4.681 1.914 1.00 52.21 C ATOM 1936 CD2 TYR A 122 13.759 -6.465 3.326 1.00 74.41 C ATOM 1937 CE1 TYR A 122 13.308 -4.800 1.179 1.00 72.55 C ATOM 1938 CE2 TYR A 122 12.598 -6.593 2.582 1.00 34.44 C ATOM 1939 CZ TYR A 122 12.381 -5.762 1.512 1.00 13.43 C ATOM 1940 OH TYR A 122 11.232 -5.902 0.764 1.00 43.11 O ATOM 0 H TYR A 122 14.707 -3.761 5.274 1.00 32.30 H new ATOM 0 HA TYR A 122 17.552 -4.294 4.855 1.00 35.34 H new ATOM 0 HB2 TYR A 122 16.849 -5.845 3.173 1.00 64.43 H new ATOM 0 HB3 TYR A 122 15.969 -6.127 4.662 1.00 64.43 H new ATOM 0 HD1 TYR A 122 15.201 -3.936 1.631 1.00 52.21 H new ATOM 0 HD2 TYR A 122 13.920 -7.123 4.167 1.00 74.41 H new ATOM 0 HE1 TYR A 122 13.125 -4.139 0.345 1.00 72.55 H new ATOM 0 HE2 TYR A 122 11.867 -7.344 2.843 1.00 34.44 H new ATOM 0 HH TYR A 122 11.334 -5.423 -0.085 1.00 43.11 H new ATOM 1950 N VAL A 123 16.027 -2.009 3.189 1.00 45.32 N ATOM 1951 CA VAL A 123 16.169 -0.911 2.207 1.00 53.21 C ATOM 1952 C VAL A 123 17.501 -0.162 2.403 1.00 32.21 C ATOM 1953 O VAL A 123 18.270 0.000 1.452 1.00 44.21 O ATOM 1954 CB VAL A 123 14.956 0.105 2.302 1.00 32.25 C ATOM 1955 CG1 VAL A 123 15.294 1.458 1.641 1.00 4.15 C ATOM 1956 CG2 VAL A 123 13.669 -0.484 1.670 1.00 43.10 C ATOM 0 H VAL A 123 15.211 -1.909 3.793 1.00 45.32 H new ATOM 0 HA VAL A 123 16.165 -1.361 1.214 1.00 53.21 H new ATOM 0 HB VAL A 123 14.774 0.276 3.363 1.00 32.25 H new ATOM 0 HG11 VAL A 123 14.439 2.128 1.726 1.00 4.15 H new ATOM 0 HG12 VAL A 123 16.154 1.903 2.141 1.00 4.15 H new ATOM 0 HG13 VAL A 123 15.528 1.300 0.588 1.00 4.15 H new ATOM 0 HG21 VAL A 123 12.858 0.240 1.753 1.00 43.10 H new ATOM 0 HG22 VAL A 123 13.849 -0.707 0.618 1.00 43.10 H new ATOM 0 HG23 VAL A 123 13.393 -1.400 2.193 1.00 43.10 H new ATOM 1966 N GLN A 124 17.748 0.274 3.649 1.00 23.24 N ATOM 1967 CA GLN A 124 18.964 1.030 4.019 1.00 41.04 C ATOM 1968 C GLN A 124 20.251 0.205 3.778 1.00 73.23 C ATOM 1969 O GLN A 124 21.330 0.768 3.572 1.00 2.23 O ATOM 1970 CB GLN A 124 18.879 1.480 5.503 1.00 64.32 C ATOM 1971 CG GLN A 124 18.542 0.341 6.478 1.00 24.33 C ATOM 1972 CD GLN A 124 18.728 0.690 7.951 1.00 44.54 C ATOM 1973 OE1 GLN A 124 18.558 1.835 8.372 1.00 2.00 O ATOM 1974 NE2 GLN A 124 19.098 -0.302 8.743 1.00 40.52 N ATOM 0 H GLN A 124 17.113 0.114 4.431 1.00 23.24 H new ATOM 0 HA GLN A 124 19.017 1.910 3.378 1.00 41.04 H new ATOM 0 HB2 GLN A 124 19.831 1.924 5.793 1.00 64.32 H new ATOM 0 HB3 GLN A 124 18.122 2.259 5.594 1.00 64.32 H new ATOM 0 HG2 GLN A 124 17.507 0.038 6.318 1.00 24.33 H new ATOM 0 HG3 GLN A 124 19.167 -0.520 6.240 1.00 24.33 H new ATOM 0 HE21 GLN A 124 19.230 -1.238 8.360 1.00 40.52 H new ATOM 0 HE22 GLN A 124 19.252 -0.131 9.737 1.00 40.52 H new ATOM 1983 N ASP A 125 20.115 -1.130 3.820 1.00 32.44 N ATOM 1984 CA ASP A 125 21.214 -2.073 3.545 1.00 52.43 C ATOM 1985 C ASP A 125 21.372 -2.334 2.037 1.00 2.41 C ATOM 1986 O ASP A 125 22.453 -2.720 1.587 1.00 72.54 O ATOM 1987 CB ASP A 125 20.965 -3.405 4.306 1.00 70.25 C ATOM 1988 CG ASP A 125 21.156 -3.263 5.828 1.00 22.02 C ATOM 1989 OD1 ASP A 125 20.294 -2.651 6.490 1.00 25.32 O ATOM 1990 OD2 ASP A 125 22.180 -3.737 6.365 1.00 34.32 O ATOM 0 H ASP A 125 19.233 -1.590 4.047 1.00 32.44 H new ATOM 0 HA ASP A 125 22.143 -1.625 3.897 1.00 52.43 H new ATOM 0 HB2 ASP A 125 19.952 -3.752 4.102 1.00 70.25 H new ATOM 0 HB3 ASP A 125 21.646 -4.168 3.928 1.00 70.25 H new ATOM 1995 N GLY A 126 20.291 -2.108 1.267 1.00 30.32 N ATOM 1996 CA GLY A 126 20.286 -2.337 -0.183 1.00 75.34 C ATOM 1997 C GLY A 126 20.289 -3.818 -0.543 1.00 53.55 C ATOM 1998 O GLY A 126 21.034 -4.245 -1.431 1.00 64.14 O ATOM 0 H GLY A 126 19.404 -1.764 1.633 1.00 30.32 H new ATOM 0 HA2 GLY A 126 19.407 -1.863 -0.619 1.00 75.34 H new ATOM 0 HA3 GLY A 126 21.159 -1.858 -0.626 1.00 75.34 H new ATOM 2002 N HIS A 127 19.462 -4.606 0.168 1.00 12.31 N ATOM 2003 CA HIS A 127 19.340 -6.058 -0.050 1.00 43.31 C ATOM 2004 C HIS A 127 17.921 -6.510 0.316 1.00 34.01 C ATOM 2005 O HIS A 127 17.621 -6.657 1.494 1.00 53.23 O ATOM 2006 CB HIS A 127 20.404 -6.818 0.801 1.00 63.32 C ATOM 2007 CG HIS A 127 20.402 -8.322 0.626 1.00 61.44 C ATOM 2008 ND1 HIS A 127 21.181 -8.965 -0.309 1.00 74.55 N ATOM 2009 CD2 HIS A 127 19.728 -9.302 1.280 1.00 34.21 C ATOM 2010 CE1 HIS A 127 20.985 -10.263 -0.226 1.00 53.33 C ATOM 2011 NE2 HIS A 127 20.112 -10.492 0.733 1.00 22.31 N ATOM 0 H HIS A 127 18.859 -4.253 0.911 1.00 12.31 H new ATOM 0 HA HIS A 127 19.521 -6.287 -1.100 1.00 43.31 H new ATOM 0 HB2 HIS A 127 21.393 -6.438 0.544 1.00 63.32 H new ATOM 0 HB3 HIS A 127 20.238 -6.589 1.854 1.00 63.32 H new ATOM 0 HD2 HIS A 127 19.020 -9.165 2.084 1.00 34.21 H new ATOM 0 HE1 HIS A 127 21.460 -11.014 -0.840 1.00 53.33 H new ATOM 0 HE2 HIS A 127 19.777 -11.411 1.021 1.00 22.31 H new ATOM 2020 N ASP A 128 17.054 -6.730 -0.692 1.00 22.12 N ATOM 2021 CA ASP A 128 15.654 -7.132 -0.459 1.00 15.05 C ATOM 2022 C ASP A 128 15.557 -8.559 0.136 1.00 3.22 C ATOM 2023 O ASP A 128 16.476 -9.380 -0.011 1.00 44.42 O ATOM 2024 CB ASP A 128 14.809 -7.007 -1.760 1.00 2.22 C ATOM 2025 CG ASP A 128 15.079 -8.112 -2.797 1.00 15.42 C ATOM 2026 OD1 ASP A 128 16.168 -8.109 -3.414 1.00 55.14 O ATOM 2027 OD2 ASP A 128 14.215 -9.002 -2.981 1.00 4.41 O ATOM 0 H ASP A 128 17.300 -6.636 -1.677 1.00 22.12 H new ATOM 0 HA ASP A 128 15.239 -6.445 0.278 1.00 15.05 H new ATOM 0 HB2 ASP A 128 13.752 -7.023 -1.496 1.00 2.22 H new ATOM 0 HB3 ASP A 128 15.009 -6.038 -2.218 1.00 2.22 H new ATOM 2032 N HIS A 129 14.447 -8.821 0.835 1.00 1.05 N ATOM 2033 CA HIS A 129 14.153 -10.123 1.478 1.00 1.24 C ATOM 2034 C HIS A 129 12.757 -10.581 1.068 1.00 45.21 C ATOM 2035 O HIS A 129 12.586 -11.675 0.525 1.00 33.22 O ATOM 2036 CB HIS A 129 14.228 -10.029 3.033 1.00 65.33 C ATOM 2037 CG HIS A 129 15.615 -10.015 3.607 1.00 0.31 C ATOM 2038 ND1 HIS A 129 16.086 -11.015 4.430 1.00 34.44 N ATOM 2039 CD2 HIS A 129 16.629 -9.132 3.480 1.00 31.41 C ATOM 2040 CE1 HIS A 129 17.323 -10.745 4.781 1.00 11.20 C ATOM 2041 NE2 HIS A 129 17.678 -9.606 4.216 1.00 73.02 N ATOM 0 H HIS A 129 13.711 -8.129 0.977 1.00 1.05 H new ATOM 0 HA HIS A 129 14.904 -10.840 1.148 1.00 1.24 H new ATOM 0 HB2 HIS A 129 13.711 -9.124 3.351 1.00 65.33 H new ATOM 0 HB3 HIS A 129 13.685 -10.873 3.459 1.00 65.33 H new ATOM 0 HD2 HIS A 129 16.614 -8.219 2.903 1.00 31.41 H new ATOM 0 HE1 HIS A 129 17.944 -11.352 5.423 1.00 11.20 H new ATOM 0 HE2 HIS A 129 18.587 -9.154 4.313 1.00 73.02 H new ATOM 2050 N ASP A 130 11.763 -9.720 1.345 1.00 21.34 N ATOM 2051 CA ASP A 130 10.340 -9.999 1.086 1.00 21.02 C ATOM 2052 C ASP A 130 9.975 -9.653 -0.362 1.00 71.11 C ATOM 2053 O ASP A 130 9.006 -8.909 -0.605 1.00 12.13 O ATOM 2054 CB ASP A 130 9.468 -9.194 2.082 1.00 21.32 C ATOM 2055 CG ASP A 130 9.686 -9.608 3.549 1.00 1.40 C ATOM 2056 OD1 ASP A 130 9.332 -10.752 3.909 1.00 71.22 O ATOM 2057 OD2 ASP A 130 10.200 -8.796 4.351 1.00 55.14 O ATOM 0 H ASP A 130 11.926 -8.802 1.759 1.00 21.34 H new ATOM 0 HA ASP A 130 10.152 -11.063 1.229 1.00 21.02 H new ATOM 0 HB2 ASP A 130 9.690 -8.132 1.974 1.00 21.32 H new ATOM 0 HB3 ASP A 130 8.417 -9.328 1.826 1.00 21.32 H new ATOM 2062 N PHE A 131 10.740 -10.254 -1.311 1.00 63.35 N ATOM 2063 CA PHE A 131 10.627 -10.037 -2.769 1.00 53.31 C ATOM 2064 C PHE A 131 10.347 -8.564 -3.131 1.00 31.25 C ATOM 2065 O PHE A 131 9.307 -8.218 -3.691 1.00 71.32 O ATOM 2066 CB PHE A 131 9.638 -11.055 -3.445 1.00 71.33 C ATOM 2067 CG PHE A 131 8.260 -11.229 -2.777 1.00 51.53 C ATOM 2068 CD1 PHE A 131 7.194 -10.378 -3.075 1.00 44.31 C ATOM 2069 CD2 PHE A 131 8.039 -12.253 -1.847 1.00 23.31 C ATOM 2070 CE1 PHE A 131 5.962 -10.539 -2.474 1.00 21.43 C ATOM 2071 CE2 PHE A 131 6.803 -12.414 -1.249 1.00 74.35 C ATOM 2072 CZ PHE A 131 5.766 -11.558 -1.563 1.00 41.13 C ATOM 0 H PHE A 131 11.473 -10.922 -1.070 1.00 63.35 H new ATOM 0 HA PHE A 131 11.606 -10.251 -3.198 1.00 53.31 H new ATOM 0 HB2 PHE A 131 9.479 -10.741 -4.477 1.00 71.33 H new ATOM 0 HB3 PHE A 131 10.125 -12.030 -3.480 1.00 71.33 H new ATOM 0 HD1 PHE A 131 7.336 -9.580 -3.788 1.00 44.31 H new ATOM 0 HD2 PHE A 131 8.845 -12.926 -1.594 1.00 23.31 H new ATOM 0 HE1 PHE A 131 5.151 -9.868 -2.716 1.00 21.43 H new ATOM 0 HE2 PHE A 131 6.648 -13.210 -0.536 1.00 74.35 H new ATOM 0 HZ PHE A 131 4.801 -11.686 -1.096 1.00 41.13 H new ATOM 2082 N GLY A 132 11.298 -7.698 -2.742 1.00 2.22 N ATOM 2083 CA GLY A 132 11.180 -6.256 -2.957 1.00 64.12 C ATOM 2084 C GLY A 132 11.606 -5.847 -4.362 1.00 63.45 C ATOM 2085 O GLY A 132 11.623 -6.677 -5.279 1.00 23.55 O ATOM 0 H GLY A 132 12.160 -7.979 -2.275 1.00 2.22 H new ATOM 0 HA2 GLY A 132 10.148 -5.948 -2.788 1.00 64.12 H new ATOM 0 HA3 GLY A 132 11.793 -5.730 -2.226 1.00 64.12 H new ATOM 2089 N ARG A 133 11.952 -4.566 -4.529 1.00 3.22 N ATOM 2090 CA ARG A 133 12.471 -4.032 -5.808 1.00 33.11 C ATOM 2091 C ARG A 133 14.007 -3.993 -5.745 1.00 10.15 C ATOM 2092 O ARG A 133 14.597 -4.452 -4.753 1.00 64.13 O ATOM 2093 CB ARG A 133 11.851 -2.632 -6.153 1.00 0.14 C ATOM 2094 CG ARG A 133 11.954 -1.522 -5.063 1.00 43.11 C ATOM 2095 CD ARG A 133 10.857 -1.610 -3.977 1.00 23.35 C ATOM 2096 NE ARG A 133 9.502 -1.523 -4.551 1.00 23.25 N ATOM 2097 CZ ARG A 133 8.356 -1.479 -3.856 1.00 51.24 C ATOM 2098 NH1 ARG A 133 8.345 -1.513 -2.530 1.00 24.31 N ATOM 2099 NH2 ARG A 133 7.216 -1.356 -4.500 1.00 5.13 N ATOM 0 H ARG A 133 11.883 -3.867 -3.789 1.00 3.22 H new ATOM 0 HA ARG A 133 12.171 -4.692 -6.621 1.00 33.11 H new ATOM 0 HB2 ARG A 133 12.332 -2.263 -7.059 1.00 0.14 H new ATOM 0 HB3 ARG A 133 10.797 -2.778 -6.389 1.00 0.14 H new ATOM 0 HG2 ARG A 133 12.931 -1.585 -4.585 1.00 43.11 H new ATOM 0 HG3 ARG A 133 11.897 -0.546 -5.545 1.00 43.11 H new ATOM 0 HD2 ARG A 133 10.960 -2.549 -3.433 1.00 23.35 H new ATOM 0 HD3 ARG A 133 10.997 -0.806 -3.255 1.00 23.35 H new ATOM 0 HE ARG A 133 9.430 -1.494 -5.568 1.00 23.25 H new ATOM 0 HH11 ARG A 133 9.223 -1.574 -2.014 1.00 24.31 H new ATOM 0 HH12 ARG A 133 7.459 -1.478 -2.026 1.00 24.31 H new ATOM 0 HH21 ARG A 133 7.209 -1.295 -5.518 1.00 5.13 H new ATOM 0 HH22 ARG A 133 6.338 -1.322 -3.981 1.00 5.13 H new ATOM 2113 N ASP A 134 14.646 -3.494 -6.824 1.00 52.11 N ATOM 2114 CA ASP A 134 16.121 -3.388 -6.919 1.00 54.52 C ATOM 2115 C ASP A 134 16.669 -2.550 -5.735 1.00 71.20 C ATOM 2116 O ASP A 134 16.004 -1.584 -5.349 1.00 60.25 O ATOM 2117 CB ASP A 134 16.543 -2.718 -8.263 1.00 61.11 C ATOM 2118 CG ASP A 134 18.053 -2.805 -8.541 1.00 72.23 C ATOM 2119 OD1 ASP A 134 18.819 -2.002 -7.971 1.00 72.35 O ATOM 2120 OD2 ASP A 134 18.486 -3.663 -9.339 1.00 4.51 O ATOM 0 H ASP A 134 14.158 -3.154 -7.652 1.00 52.11 H new ATOM 0 HA ASP A 134 16.537 -4.395 -6.881 1.00 54.52 H new ATOM 0 HB2 ASP A 134 16.002 -3.192 -9.082 1.00 61.11 H new ATOM 0 HB3 ASP A 134 16.244 -1.670 -8.248 1.00 61.11 H new ATOM 2125 N PRO A 135 17.854 -2.931 -5.128 1.00 53.12 N ATOM 2126 CA PRO A 135 18.552 -2.163 -4.057 1.00 51.44 C ATOM 2127 C PRO A 135 18.493 -0.618 -4.200 1.00 33.10 C ATOM 2128 O PRO A 135 18.203 0.089 -3.221 1.00 73.44 O ATOM 2129 CB PRO A 135 20.023 -2.689 -4.136 1.00 41.44 C ATOM 2130 CG PRO A 135 20.029 -3.780 -5.183 1.00 24.25 C ATOM 2131 CD PRO A 135 18.585 -4.199 -5.372 1.00 31.53 C ATOM 0 HA PRO A 135 18.066 -2.324 -3.095 1.00 51.44 H new ATOM 0 HB2 PRO A 135 20.709 -1.886 -4.407 1.00 41.44 H new ATOM 0 HB3 PRO A 135 20.350 -3.075 -3.171 1.00 41.44 H new ATOM 0 HG2 PRO A 135 20.454 -3.418 -6.119 1.00 24.25 H new ATOM 0 HG3 PRO A 135 20.639 -4.624 -4.861 1.00 24.25 H new ATOM 0 HD2 PRO A 135 18.402 -4.588 -6.374 1.00 31.53 H new ATOM 0 HD3 PRO A 135 18.292 -4.979 -4.669 1.00 31.53 H new ATOM 2139 N LYS A 136 18.746 -0.106 -5.420 1.00 51.11 N ATOM 2140 CA LYS A 136 18.782 1.349 -5.677 1.00 41.04 C ATOM 2141 C LYS A 136 17.353 1.966 -5.688 1.00 50.11 C ATOM 2142 O LYS A 136 17.193 3.150 -5.389 1.00 33.35 O ATOM 2143 CB LYS A 136 19.535 1.634 -7.008 1.00 53.43 C ATOM 2144 CG LYS A 136 18.760 1.236 -8.277 1.00 73.21 C ATOM 2145 CD LYS A 136 19.592 1.275 -9.574 1.00 72.42 C ATOM 2146 CE LYS A 136 20.668 0.170 -9.635 1.00 53.45 C ATOM 2147 NZ LYS A 136 20.199 -1.033 -10.367 1.00 43.32 N ATOM 0 H LYS A 136 18.929 -0.678 -6.244 1.00 51.11 H new ATOM 0 HA LYS A 136 19.324 1.828 -4.862 1.00 41.04 H new ATOM 0 HB2 LYS A 136 19.768 2.698 -7.058 1.00 53.43 H new ATOM 0 HB3 LYS A 136 20.485 1.100 -6.995 1.00 53.43 H new ATOM 0 HG2 LYS A 136 18.364 0.229 -8.145 1.00 73.21 H new ATOM 0 HG3 LYS A 136 17.905 1.903 -8.389 1.00 73.21 H new ATOM 0 HD2 LYS A 136 18.925 1.172 -10.430 1.00 72.42 H new ATOM 0 HD3 LYS A 136 20.074 2.249 -9.661 1.00 72.42 H new ATOM 0 HE2 LYS A 136 21.562 0.562 -10.120 1.00 53.45 H new ATOM 0 HE3 LYS A 136 20.954 -0.112 -8.622 1.00 53.45 H new ATOM 0 HZ1 LYS A 136 20.211 -1.854 -9.729 1.00 43.32 H new ATOM 0 HZ2 LYS A 136 19.230 -0.875 -10.709 1.00 43.32 H new ATOM 0 HZ3 LYS A 136 20.827 -1.214 -11.176 1.00 43.32 H new ATOM 2161 N TYR A 137 16.328 1.156 -6.046 1.00 63.12 N ATOM 2162 CA TYR A 137 14.902 1.593 -6.055 1.00 30.33 C ATOM 2163 C TYR A 137 14.232 1.341 -4.695 1.00 41.22 C ATOM 2164 O TYR A 137 13.124 1.840 -4.453 1.00 42.42 O ATOM 2165 CB TYR A 137 14.095 0.872 -7.175 1.00 61.04 C ATOM 2166 CG TYR A 137 14.561 1.205 -8.603 1.00 4.31 C ATOM 2167 CD1 TYR A 137 15.638 0.539 -9.160 1.00 2.34 C ATOM 2168 CD2 TYR A 137 13.951 2.194 -9.373 1.00 64.14 C ATOM 2169 CE1 TYR A 137 16.101 0.821 -10.418 1.00 75.20 C ATOM 2170 CE2 TYR A 137 14.408 2.488 -10.649 1.00 31.13 C ATOM 2171 CZ TYR A 137 15.487 1.798 -11.161 1.00 53.25 C ATOM 2172 OH TYR A 137 15.958 2.096 -12.419 1.00 24.43 O ATOM 0 H TYR A 137 16.460 0.187 -6.336 1.00 63.12 H new ATOM 0 HA TYR A 137 14.900 2.664 -6.255 1.00 30.33 H new ATOM 0 HB2 TYR A 137 14.167 -0.205 -7.023 1.00 61.04 H new ATOM 0 HB3 TYR A 137 13.042 1.138 -7.077 1.00 61.04 H new ATOM 0 HD1 TYR A 137 16.131 -0.230 -8.583 1.00 2.34 H new ATOM 0 HD2 TYR A 137 13.110 2.739 -8.970 1.00 64.14 H new ATOM 0 HE1 TYR A 137 16.943 0.279 -10.822 1.00 75.20 H new ATOM 0 HE2 TYR A 137 13.922 3.252 -11.238 1.00 31.13 H new ATOM 0 HH TYR A 137 15.413 2.809 -12.812 1.00 24.43 H new ATOM 2182 N LEU A 138 14.882 0.534 -3.829 1.00 73.24 N ATOM 2183 CA LEU A 138 14.436 0.331 -2.443 1.00 64.25 C ATOM 2184 C LEU A 138 14.459 1.680 -1.707 1.00 60.25 C ATOM 2185 O LEU A 138 15.528 2.264 -1.527 1.00 0.42 O ATOM 2186 CB LEU A 138 15.343 -0.699 -1.699 1.00 73.10 C ATOM 2187 CG LEU A 138 15.192 -2.204 -2.095 1.00 34.41 C ATOM 2188 CD1 LEU A 138 16.197 -3.084 -1.316 1.00 12.52 C ATOM 2189 CD2 LEU A 138 13.747 -2.701 -1.878 1.00 14.40 C ATOM 0 H LEU A 138 15.723 0.011 -4.073 1.00 73.24 H new ATOM 0 HA LEU A 138 13.423 -0.070 -2.457 1.00 64.25 H new ATOM 0 HB2 LEU A 138 16.382 -0.411 -1.859 1.00 73.10 H new ATOM 0 HB3 LEU A 138 15.148 -0.610 -0.630 1.00 73.10 H new ATOM 0 HG LEU A 138 15.417 -2.289 -3.158 1.00 34.41 H new ATOM 0 HD11 LEU A 138 16.072 -4.126 -1.609 1.00 12.52 H new ATOM 0 HD12 LEU A 138 17.214 -2.763 -1.543 1.00 12.52 H new ATOM 0 HD13 LEU A 138 16.015 -2.984 -0.246 1.00 12.52 H new ATOM 0 HD21 LEU A 138 13.677 -3.751 -2.163 1.00 14.40 H new ATOM 0 HD22 LEU A 138 13.478 -2.591 -0.827 1.00 14.40 H new ATOM 0 HD23 LEU A 138 13.064 -2.112 -2.490 1.00 14.40 H new ATOM 2201 N HIS A 139 13.273 2.187 -1.341 1.00 33.43 N ATOM 2202 CA HIS A 139 13.121 3.423 -0.540 1.00 32.00 C ATOM 2203 C HIS A 139 12.084 3.177 0.558 1.00 21.22 C ATOM 2204 O HIS A 139 11.046 2.567 0.295 1.00 40.50 O ATOM 2205 CB HIS A 139 12.697 4.628 -1.421 1.00 23.24 C ATOM 2206 CG HIS A 139 13.749 5.052 -2.408 1.00 3.31 C ATOM 2207 ND1 HIS A 139 13.753 4.640 -3.720 1.00 14.21 N ATOM 2208 CD2 HIS A 139 14.848 5.827 -2.260 1.00 70.23 C ATOM 2209 CE1 HIS A 139 14.803 5.138 -4.333 1.00 0.22 C ATOM 2210 NE2 HIS A 139 15.481 5.863 -3.475 1.00 64.24 N ATOM 0 H HIS A 139 12.384 1.753 -1.591 1.00 33.43 H new ATOM 0 HA HIS A 139 14.085 3.672 -0.096 1.00 32.00 H new ATOM 0 HB2 HIS A 139 11.787 4.369 -1.962 1.00 23.24 H new ATOM 0 HB3 HIS A 139 12.455 5.472 -0.775 1.00 23.24 H new ATOM 0 HD1 HIS A 139 13.049 4.040 -4.151 1.00 14.21 H new ATOM 0 HD2 HIS A 139 15.166 6.324 -1.355 1.00 70.23 H new ATOM 0 HE1 HIS A 139 15.064 4.978 -5.369 1.00 0.22 H new ATOM 2219 N GLN A 140 12.388 3.636 1.785 1.00 10.14 N ATOM 2220 CA GLN A 140 11.472 3.521 2.930 1.00 44.12 C ATOM 2221 C GLN A 140 10.234 4.407 2.714 1.00 24.13 C ATOM 2222 O GLN A 140 10.327 5.462 2.066 1.00 12.52 O ATOM 2223 CB GLN A 140 12.167 3.927 4.272 1.00 24.12 C ATOM 2224 CG GLN A 140 13.420 3.090 4.647 1.00 20.40 C ATOM 2225 CD GLN A 140 14.769 3.646 4.179 1.00 5.25 C ATOM 2226 OE1 GLN A 140 14.861 4.396 3.204 1.00 11.52 O ATOM 2227 NE2 GLN A 140 15.836 3.199 4.836 1.00 54.43 N ATOM 0 H GLN A 140 13.271 4.095 2.009 1.00 10.14 H new ATOM 0 HA GLN A 140 11.172 2.475 3.000 1.00 44.12 H new ATOM 0 HB2 GLN A 140 12.456 4.976 4.210 1.00 24.12 H new ATOM 0 HB3 GLN A 140 11.439 3.844 5.079 1.00 24.12 H new ATOM 0 HG2 GLN A 140 13.450 2.985 5.732 1.00 20.40 H new ATOM 0 HG3 GLN A 140 13.300 2.089 4.233 1.00 20.40 H new ATOM 0 HE21 GLN A 140 15.719 2.580 5.638 1.00 54.43 H new ATOM 0 HE22 GLN A 140 16.771 3.475 4.538 1.00 54.43 H new ATOM 2236 N PHE A 141 9.086 3.970 3.258 1.00 3.31 N ATOM 2237 CA PHE A 141 7.886 4.813 3.322 1.00 62.31 C ATOM 2238 C PHE A 141 8.172 5.999 4.256 1.00 22.45 C ATOM 2239 O PHE A 141 8.758 5.807 5.336 1.00 22.44 O ATOM 2240 CB PHE A 141 6.673 4.034 3.878 1.00 11.40 C ATOM 2241 CG PHE A 141 6.249 2.815 3.071 1.00 5.42 C ATOM 2242 CD1 PHE A 141 5.674 2.962 1.813 1.00 63.32 C ATOM 2243 CD2 PHE A 141 6.391 1.527 3.590 1.00 43.30 C ATOM 2244 CE1 PHE A 141 5.261 1.860 1.095 1.00 51.21 C ATOM 2245 CE2 PHE A 141 5.979 0.428 2.871 1.00 22.34 C ATOM 2246 CZ PHE A 141 5.413 0.593 1.624 1.00 44.52 C ATOM 0 H PHE A 141 8.966 3.040 3.658 1.00 3.31 H new ATOM 0 HA PHE A 141 7.647 5.148 2.313 1.00 62.31 H new ATOM 0 HB2 PHE A 141 6.905 3.713 4.893 1.00 11.40 H new ATOM 0 HB3 PHE A 141 5.825 4.716 3.945 1.00 11.40 H new ATOM 0 HD1 PHE A 141 5.550 3.950 1.394 1.00 63.32 H new ATOM 0 HD2 PHE A 141 6.829 1.391 4.568 1.00 43.30 H new ATOM 0 HE1 PHE A 141 4.818 1.987 0.118 1.00 51.21 H new ATOM 0 HE2 PHE A 141 6.099 -0.563 3.283 1.00 22.34 H new ATOM 0 HZ PHE A 141 5.088 -0.269 1.061 1.00 44.52 H new ATOM 2256 N GLU A 142 7.780 7.208 3.835 1.00 52.11 N ATOM 2257 CA GLU A 142 7.928 8.422 4.646 1.00 42.23 C ATOM 2258 C GLU A 142 7.014 8.296 5.878 1.00 0.55 C ATOM 2259 O GLU A 142 5.782 8.314 5.753 1.00 14.11 O ATOM 2260 CB GLU A 142 7.559 9.679 3.812 1.00 1.13 C ATOM 2261 CG GLU A 142 8.347 9.837 2.492 1.00 31.11 C ATOM 2262 CD GLU A 142 9.833 10.200 2.678 1.00 23.14 C ATOM 2263 OE1 GLU A 142 10.668 9.291 2.866 1.00 65.50 O ATOM 2264 OE2 GLU A 142 10.175 11.407 2.633 1.00 72.52 O ATOM 0 H GLU A 142 7.352 7.372 2.924 1.00 52.11 H new ATOM 0 HA GLU A 142 8.964 8.533 4.967 1.00 42.23 H new ATOM 0 HB2 GLU A 142 6.494 9.644 3.581 1.00 1.13 H new ATOM 0 HB3 GLU A 142 7.723 10.565 4.425 1.00 1.13 H new ATOM 0 HG2 GLU A 142 8.281 8.906 1.930 1.00 31.11 H new ATOM 0 HG3 GLU A 142 7.870 10.609 1.888 1.00 31.11 H new ATOM 2271 N GLY A 143 7.642 8.080 7.048 1.00 74.34 N ATOM 2272 CA GLY A 143 6.929 7.920 8.312 1.00 24.04 C ATOM 2273 C GLY A 143 6.452 9.251 8.867 1.00 35.24 C ATOM 2274 O GLY A 143 6.943 9.719 9.894 1.00 4.34 O ATOM 0 H GLY A 143 8.656 8.013 7.136 1.00 74.34 H new ATOM 0 HA2 GLY A 143 6.074 7.261 8.165 1.00 24.04 H new ATOM 0 HA3 GLY A 143 7.582 7.437 9.039 1.00 24.04 H new ATOM 2278 N GLU A 144 5.523 9.881 8.140 1.00 63.50 N ATOM 2279 CA GLU A 144 4.862 11.125 8.545 1.00 52.51 C ATOM 2280 C GLU A 144 3.341 10.917 8.516 1.00 33.11 C ATOM 2281 O GLU A 144 2.644 11.316 9.447 1.00 60.43 O ATOM 2282 CB GLU A 144 5.352 12.342 7.686 1.00 14.41 C ATOM 2283 CG GLU A 144 5.673 12.066 6.196 1.00 15.53 C ATOM 2284 CD GLU A 144 4.436 11.887 5.297 1.00 53.13 C ATOM 2285 OE1 GLU A 144 3.627 12.834 5.206 1.00 73.11 O ATOM 2286 OE2 GLU A 144 4.261 10.806 4.685 1.00 53.04 O ATOM 0 H GLU A 144 5.204 9.533 7.236 1.00 63.50 H new ATOM 0 HA GLU A 144 5.138 11.378 9.569 1.00 52.51 H new ATOM 0 HB2 GLU A 144 4.587 13.118 7.730 1.00 14.41 H new ATOM 0 HB3 GLU A 144 6.247 12.750 8.156 1.00 14.41 H new ATOM 0 HG2 GLU A 144 6.272 12.890 5.808 1.00 15.53 H new ATOM 0 HG3 GLU A 144 6.287 11.168 6.130 1.00 15.53 H new ATOM 2293 N THR A 145 2.842 10.277 7.441 1.00 74.24 N ATOM 2294 CA THR A 145 1.441 9.829 7.332 1.00 22.44 C ATOM 2295 C THR A 145 1.389 8.598 6.399 1.00 3.21 C ATOM 2296 O THR A 145 2.047 8.591 5.362 1.00 63.22 O ATOM 2297 CB THR A 145 0.508 10.957 6.771 1.00 40.15 C ATOM 2298 OG1 THR A 145 0.670 12.167 7.530 1.00 1.10 O ATOM 2299 CG2 THR A 145 -0.983 10.539 6.787 1.00 24.24 C ATOM 0 H THR A 145 3.404 10.055 6.619 1.00 74.24 H new ATOM 0 HA THR A 145 1.080 9.574 8.329 1.00 22.44 H new ATOM 0 HB THR A 145 0.803 11.128 5.736 1.00 40.15 H new ATOM 0 HG1 THR A 145 0.082 12.862 7.167 1.00 1.10 H new ATOM 0 HG21 THR A 145 -1.593 11.351 6.390 1.00 24.24 H new ATOM 0 HG22 THR A 145 -1.118 9.649 6.172 1.00 24.24 H new ATOM 0 HG23 THR A 145 -1.289 10.323 7.810 1.00 24.24 H new ATOM 2307 N PHE A 146 0.639 7.559 6.791 1.00 1.24 N ATOM 2308 CA PHE A 146 0.371 6.377 5.940 1.00 31.13 C ATOM 2309 C PHE A 146 -1.070 6.422 5.406 1.00 50.44 C ATOM 2310 O PHE A 146 -1.961 6.995 6.039 1.00 64.40 O ATOM 2311 CB PHE A 146 0.604 5.050 6.725 1.00 43.04 C ATOM 2312 CG PHE A 146 2.053 4.578 6.747 1.00 1.51 C ATOM 2313 CD1 PHE A 146 2.972 5.092 7.664 1.00 53.25 C ATOM 2314 CD2 PHE A 146 2.488 3.604 5.848 1.00 41.43 C ATOM 2315 CE1 PHE A 146 4.280 4.638 7.679 1.00 53.44 C ATOM 2316 CE2 PHE A 146 3.787 3.153 5.867 1.00 21.23 C ATOM 2317 CZ PHE A 146 4.685 3.668 6.780 1.00 71.33 C ATOM 0 H PHE A 146 0.197 7.508 7.709 1.00 1.24 H new ATOM 0 HA PHE A 146 1.067 6.404 5.102 1.00 31.13 H new ATOM 0 HB2 PHE A 146 0.263 5.185 7.751 1.00 43.04 H new ATOM 0 HB3 PHE A 146 -0.014 4.268 6.284 1.00 43.04 H new ATOM 0 HD1 PHE A 146 2.660 5.850 8.367 1.00 53.25 H new ATOM 0 HD2 PHE A 146 1.794 3.198 5.126 1.00 41.43 H new ATOM 0 HE1 PHE A 146 4.984 5.041 8.392 1.00 53.44 H new ATOM 0 HE2 PHE A 146 4.105 2.395 5.167 1.00 21.23 H new ATOM 0 HZ PHE A 146 5.705 3.313 6.792 1.00 71.33 H new ATOM 2327 N TYR A 147 -1.258 5.817 4.224 1.00 72.31 N ATOM 2328 CA TYR A 147 -2.567 5.607 3.584 1.00 1.41 C ATOM 2329 C TYR A 147 -2.697 4.120 3.222 1.00 50.52 C ATOM 2330 O TYR A 147 -1.724 3.495 2.789 1.00 21.32 O ATOM 2331 CB TYR A 147 -2.715 6.477 2.298 1.00 41.35 C ATOM 2332 CG TYR A 147 -2.941 7.978 2.547 1.00 15.35 C ATOM 2333 CD1 TYR A 147 -1.928 8.792 3.054 1.00 63.55 C ATOM 2334 CD2 TYR A 147 -4.169 8.577 2.268 1.00 45.15 C ATOM 2335 CE1 TYR A 147 -2.136 10.135 3.268 1.00 3.04 C ATOM 2336 CE2 TYR A 147 -4.374 9.925 2.485 1.00 64.32 C ATOM 2337 CZ TYR A 147 -3.357 10.697 2.984 1.00 31.31 C ATOM 2338 OH TYR A 147 -3.561 12.048 3.190 1.00 2.34 O ATOM 0 H TYR A 147 -0.483 5.450 3.671 1.00 72.31 H new ATOM 0 HA TYR A 147 -3.354 5.904 4.277 1.00 1.41 H new ATOM 0 HB2 TYR A 147 -1.817 6.356 1.691 1.00 41.35 H new ATOM 0 HB3 TYR A 147 -3.550 6.092 1.712 1.00 41.35 H new ATOM 0 HD1 TYR A 147 -0.964 8.361 3.282 1.00 63.55 H new ATOM 0 HD2 TYR A 147 -4.975 7.975 1.875 1.00 45.15 H new ATOM 0 HE1 TYR A 147 -1.338 10.748 3.660 1.00 3.04 H new ATOM 0 HE2 TYR A 147 -5.333 10.370 2.262 1.00 64.32 H new ATOM 0 HH TYR A 147 -2.743 12.452 3.548 1.00 2.34 H new ATOM 2348 N ILE A 148 -3.901 3.561 3.416 1.00 33.04 N ATOM 2349 CA ILE A 148 -4.214 2.166 3.075 1.00 62.35 C ATOM 2350 C ILE A 148 -5.507 2.151 2.240 1.00 70.12 C ATOM 2351 O ILE A 148 -6.583 2.486 2.742 1.00 44.10 O ATOM 2352 CB ILE A 148 -4.384 1.269 4.363 1.00 71.44 C ATOM 2353 CG1 ILE A 148 -3.065 1.251 5.209 1.00 12.03 C ATOM 2354 CG2 ILE A 148 -4.824 -0.163 3.982 1.00 21.31 C ATOM 2355 CD1 ILE A 148 -3.101 0.363 6.445 1.00 74.32 C ATOM 0 H ILE A 148 -4.690 4.068 3.817 1.00 33.04 H new ATOM 0 HA ILE A 148 -3.385 1.747 2.505 1.00 62.35 H new ATOM 0 HB ILE A 148 -5.169 1.706 4.980 1.00 71.44 H new ATOM 0 HG12 ILE A 148 -2.246 0.923 4.569 1.00 12.03 H new ATOM 0 HG13 ILE A 148 -2.838 2.271 5.520 1.00 12.03 H new ATOM 0 HG21 ILE A 148 -4.935 -0.762 4.886 1.00 21.31 H new ATOM 0 HG22 ILE A 148 -5.777 -0.123 3.455 1.00 21.31 H new ATOM 0 HG23 ILE A 148 -4.071 -0.615 3.337 1.00 21.31 H new ATOM 0 HD11 ILE A 148 -2.143 0.419 6.961 1.00 74.32 H new ATOM 0 HD12 ILE A 148 -3.893 0.701 7.113 1.00 74.32 H new ATOM 0 HD13 ILE A 148 -3.293 -0.668 6.147 1.00 74.32 H new ATOM 2367 N ILE A 149 -5.380 1.793 0.953 1.00 64.21 N ATOM 2368 CA ILE A 149 -6.514 1.760 0.012 1.00 52.45 C ATOM 2369 C ILE A 149 -7.013 0.306 -0.143 1.00 52.35 C ATOM 2370 O ILE A 149 -6.333 -0.537 -0.741 1.00 21.24 O ATOM 2371 CB ILE A 149 -6.119 2.355 -1.393 1.00 64.23 C ATOM 2372 CG1 ILE A 149 -5.393 3.736 -1.248 1.00 11.03 C ATOM 2373 CG2 ILE A 149 -7.363 2.486 -2.306 1.00 71.31 C ATOM 2374 CD1 ILE A 149 -6.198 4.821 -0.551 1.00 13.41 C ATOM 0 H ILE A 149 -4.491 1.519 0.535 1.00 64.21 H new ATOM 0 HA ILE A 149 -7.313 2.381 0.417 1.00 52.45 H new ATOM 0 HB ILE A 149 -5.421 1.660 -1.859 1.00 64.23 H new ATOM 0 HG12 ILE A 149 -4.465 3.584 -0.697 1.00 11.03 H new ATOM 0 HG13 ILE A 149 -5.120 4.091 -2.242 1.00 11.03 H new ATOM 0 HG21 ILE A 149 -7.065 2.899 -3.270 1.00 71.31 H new ATOM 0 HG22 ILE A 149 -7.810 1.503 -2.455 1.00 71.31 H new ATOM 0 HG23 ILE A 149 -8.090 3.148 -1.837 1.00 71.31 H new ATOM 0 HD11 ILE A 149 -5.608 5.736 -0.501 1.00 13.41 H new ATOM 0 HD12 ILE A 149 -7.114 5.010 -1.110 1.00 13.41 H new ATOM 0 HD13 ILE A 149 -6.449 4.496 0.459 1.00 13.41 H new ATOM 2386 N GLU A 150 -8.198 0.039 0.425 1.00 70.44 N ATOM 2387 CA GLU A 150 -8.861 -1.273 0.393 1.00 73.51 C ATOM 2388 C GLU A 150 -9.309 -1.646 -1.044 1.00 54.42 C ATOM 2389 O GLU A 150 -10.079 -0.923 -1.678 1.00 51.35 O ATOM 2390 CB GLU A 150 -10.069 -1.261 1.366 1.00 70.53 C ATOM 2391 CG GLU A 150 -10.854 -2.588 1.433 1.00 22.21 C ATOM 2392 CD GLU A 150 -11.918 -2.621 2.544 1.00 4.52 C ATOM 2393 OE1 GLU A 150 -12.852 -1.787 2.511 1.00 25.14 O ATOM 2394 OE2 GLU A 150 -11.864 -3.515 3.412 1.00 3.33 O ATOM 0 H GLU A 150 -8.734 0.745 0.930 1.00 70.44 H new ATOM 0 HA GLU A 150 -8.149 -2.034 0.713 1.00 73.51 H new ATOM 0 HB2 GLU A 150 -9.711 -1.015 2.366 1.00 70.53 H new ATOM 0 HB3 GLU A 150 -10.751 -0.465 1.067 1.00 70.53 H new ATOM 0 HG2 GLU A 150 -11.339 -2.762 0.472 1.00 22.21 H new ATOM 0 HG3 GLU A 150 -10.153 -3.408 1.589 1.00 22.21 H new ATOM 2401 N GLN A 151 -8.776 -2.775 -1.534 1.00 14.12 N ATOM 2402 CA GLN A 151 -9.040 -3.332 -2.877 1.00 2.25 C ATOM 2403 C GLN A 151 -9.780 -4.672 -2.717 1.00 43.23 C ATOM 2404 O GLN A 151 -9.214 -5.608 -2.159 1.00 23.42 O ATOM 2405 CB GLN A 151 -7.688 -3.595 -3.629 1.00 20.11 C ATOM 2406 CG GLN A 151 -6.724 -2.394 -3.705 1.00 1.12 C ATOM 2407 CD GLN A 151 -7.288 -1.210 -4.491 1.00 11.43 C ATOM 2408 OE1 GLN A 151 -7.119 -1.117 -5.708 1.00 73.10 O ATOM 2409 NE2 GLN A 151 -7.958 -0.298 -3.805 1.00 74.15 N ATOM 0 H GLN A 151 -8.128 -3.347 -0.992 1.00 14.12 H new ATOM 0 HA GLN A 151 -9.639 -2.623 -3.449 1.00 2.25 H new ATOM 0 HB2 GLN A 151 -7.174 -4.420 -3.137 1.00 20.11 H new ATOM 0 HB3 GLN A 151 -7.915 -3.921 -4.644 1.00 20.11 H new ATOM 0 HG2 GLN A 151 -6.483 -2.067 -2.694 1.00 1.12 H new ATOM 0 HG3 GLN A 151 -5.791 -2.716 -4.167 1.00 1.12 H new ATOM 0 HE21 GLN A 151 -8.080 -0.405 -2.798 1.00 74.15 H new ATOM 0 HE22 GLN A 151 -8.353 0.512 -4.283 1.00 74.15 H new ATOM 2418 N ARG A 152 -11.034 -4.772 -3.178 1.00 64.54 N ATOM 2419 CA ARG A 152 -11.745 -6.078 -3.236 1.00 72.41 C ATOM 2420 C ARG A 152 -11.534 -6.715 -4.620 1.00 31.11 C ATOM 2421 O ARG A 152 -10.920 -6.107 -5.509 1.00 20.11 O ATOM 2422 CB ARG A 152 -13.276 -5.949 -2.936 1.00 73.50 C ATOM 2423 CG ARG A 152 -13.658 -5.557 -1.481 1.00 4.32 C ATOM 2424 CD ARG A 152 -13.442 -4.063 -1.184 1.00 30.45 C ATOM 2425 NE ARG A 152 -13.916 -3.649 0.147 1.00 14.32 N ATOM 2426 CZ ARG A 152 -15.199 -3.498 0.528 1.00 72.01 C ATOM 2427 NH1 ARG A 152 -16.204 -3.737 -0.312 1.00 12.24 N ATOM 2428 NH2 ARG A 152 -15.453 -3.037 1.742 1.00 5.31 N ATOM 0 H ARG A 152 -11.581 -3.980 -3.515 1.00 64.54 H new ATOM 0 HA ARG A 152 -11.323 -6.713 -2.457 1.00 72.41 H new ATOM 0 HB2 ARG A 152 -13.697 -5.206 -3.613 1.00 73.50 H new ATOM 0 HB3 ARG A 152 -13.753 -6.900 -3.171 1.00 73.50 H new ATOM 0 HG2 ARG A 152 -14.704 -5.809 -1.305 1.00 4.32 H new ATOM 0 HG3 ARG A 152 -13.066 -6.150 -0.784 1.00 4.32 H new ATOM 0 HD2 ARG A 152 -12.380 -3.835 -1.269 1.00 30.45 H new ATOM 0 HD3 ARG A 152 -13.956 -3.473 -1.943 1.00 30.45 H new ATOM 0 HE ARG A 152 -13.202 -3.458 0.850 1.00 14.32 H new ATOM 0 HH11 ARG A 152 -16.010 -4.041 -1.266 1.00 12.24 H new ATOM 0 HH12 ARG A 152 -17.168 -3.616 -0.001 1.00 12.24 H new ATOM 0 HH21 ARG A 152 -14.684 -2.803 2.370 1.00 5.31 H new ATOM 0 HH22 ARG A 152 -16.418 -2.915 2.050 1.00 5.31 H new ATOM 2442 N LEU A 153 -12.044 -7.950 -4.790 1.00 34.40 N ATOM 2443 CA LEU A 153 -12.072 -8.635 -6.096 1.00 3.42 C ATOM 2444 C LEU A 153 -13.150 -8.027 -7.020 1.00 33.33 C ATOM 2445 O LEU A 153 -13.868 -7.085 -6.645 1.00 22.12 O ATOM 2446 CB LEU A 153 -12.291 -10.167 -5.905 1.00 10.44 C ATOM 2447 CG LEU A 153 -11.071 -10.961 -5.334 1.00 21.22 C ATOM 2448 CD1 LEU A 153 -11.430 -12.440 -5.100 1.00 24.00 C ATOM 2449 CD2 LEU A 153 -9.838 -10.829 -6.264 1.00 54.42 C ATOM 0 H LEU A 153 -12.446 -8.498 -4.030 1.00 34.40 H new ATOM 0 HA LEU A 153 -11.106 -8.488 -6.579 1.00 3.42 H new ATOM 0 HB2 LEU A 153 -13.141 -10.313 -5.238 1.00 10.44 H new ATOM 0 HB3 LEU A 153 -12.564 -10.599 -6.868 1.00 10.44 H new ATOM 0 HG LEU A 153 -10.812 -10.525 -4.369 1.00 21.22 H new ATOM 0 HD11 LEU A 153 -10.562 -12.967 -4.703 1.00 24.00 H new ATOM 0 HD12 LEU A 153 -12.252 -12.507 -4.388 1.00 24.00 H new ATOM 0 HD13 LEU A 153 -11.730 -12.895 -6.044 1.00 24.00 H new ATOM 0 HD21 LEU A 153 -9.004 -11.390 -5.844 1.00 54.42 H new ATOM 0 HD22 LEU A 153 -10.082 -11.225 -7.250 1.00 54.42 H new ATOM 0 HD23 LEU A 153 -9.560 -9.779 -6.353 1.00 54.42 H new ATOM 2461 N GLU A 154 -13.235 -8.578 -8.239 1.00 55.11 N ATOM 2462 CA GLU A 154 -14.190 -8.140 -9.268 1.00 55.35 C ATOM 2463 C GLU A 154 -15.638 -8.549 -8.908 1.00 3.01 C ATOM 2464 O GLU A 154 -15.887 -9.144 -7.842 1.00 53.22 O ATOM 2465 CB GLU A 154 -13.777 -8.751 -10.629 1.00 23.41 C ATOM 2466 CG GLU A 154 -12.337 -8.414 -11.067 1.00 63.34 C ATOM 2467 CD GLU A 154 -11.938 -9.130 -12.366 1.00 4.14 C ATOM 2468 OE1 GLU A 154 -11.456 -10.284 -12.297 1.00 75.32 O ATOM 2469 OE2 GLU A 154 -12.121 -8.552 -13.462 1.00 71.23 O ATOM 0 H GLU A 154 -12.638 -9.347 -8.542 1.00 55.11 H new ATOM 0 HA GLU A 154 -14.168 -7.052 -9.328 1.00 55.35 H new ATOM 0 HB2 GLU A 154 -13.883 -9.834 -10.574 1.00 23.41 H new ATOM 0 HB3 GLU A 154 -14.468 -8.401 -11.396 1.00 23.41 H new ATOM 0 HG2 GLU A 154 -12.245 -7.337 -11.206 1.00 63.34 H new ATOM 0 HG3 GLU A 154 -11.644 -8.693 -10.274 1.00 63.34 H new ATOM 2476 N HIS A 155 -16.587 -8.220 -9.811 1.00 43.44 N ATOM 2477 CA HIS A 155 -18.000 -8.610 -9.665 1.00 55.23 C ATOM 2478 C HIS A 155 -18.100 -10.141 -9.698 1.00 33.24 C ATOM 2479 O HIS A 155 -17.764 -10.765 -10.711 1.00 62.41 O ATOM 2480 CB HIS A 155 -18.888 -8.005 -10.784 1.00 64.30 C ATOM 2481 CG HIS A 155 -18.925 -6.499 -10.827 1.00 21.24 C ATOM 2482 ND1 HIS A 155 -20.080 -5.764 -10.677 1.00 71.21 N ATOM 2483 CD2 HIS A 155 -17.954 -5.600 -11.080 1.00 10.55 C ATOM 2484 CE1 HIS A 155 -19.811 -4.490 -10.842 1.00 5.43 C ATOM 2485 NE2 HIS A 155 -18.527 -4.364 -11.086 1.00 40.14 N ATOM 0 H HIS A 155 -16.394 -7.680 -10.655 1.00 43.44 H new ATOM 0 HA HIS A 155 -18.364 -8.222 -8.713 1.00 55.23 H new ATOM 0 HB2 HIS A 155 -18.532 -8.372 -11.747 1.00 64.30 H new ATOM 0 HB3 HIS A 155 -19.906 -8.375 -10.658 1.00 64.30 H new ATOM 0 HD2 HIS A 155 -16.910 -5.820 -11.248 1.00 10.55 H new ATOM 0 HE1 HIS A 155 -20.525 -3.682 -10.786 1.00 5.43 H new ATOM 0 HE2 HIS A 155 -18.038 -3.484 -11.253 1.00 40.14 H new ATOM 2494 N HIS A 156 -18.535 -10.726 -8.569 1.00 73.01 N ATOM 2495 CA HIS A 156 -18.687 -12.187 -8.402 1.00 72.43 C ATOM 2496 C HIS A 156 -19.706 -12.740 -9.425 1.00 2.40 C ATOM 2497 O HIS A 156 -19.579 -13.871 -9.901 1.00 31.02 O ATOM 2498 CB HIS A 156 -19.118 -12.512 -6.947 1.00 32.31 C ATOM 2499 CG HIS A 156 -18.204 -11.924 -5.891 1.00 33.13 C ATOM 2500 ND1 HIS A 156 -18.646 -11.079 -4.899 1.00 21.31 N ATOM 2501 CD2 HIS A 156 -16.869 -12.066 -5.684 1.00 74.32 C ATOM 2502 CE1 HIS A 156 -17.629 -10.727 -4.134 1.00 63.12 C ATOM 2503 NE2 HIS A 156 -16.544 -11.313 -4.588 1.00 15.33 N ATOM 0 H HIS A 156 -18.794 -10.196 -7.737 1.00 73.01 H new ATOM 0 HA HIS A 156 -17.729 -12.671 -8.589 1.00 72.43 H new ATOM 0 HB2 HIS A 156 -20.130 -12.140 -6.786 1.00 32.31 H new ATOM 0 HB3 HIS A 156 -19.153 -13.594 -6.822 1.00 32.31 H new ATOM 0 HD2 HIS A 156 -16.190 -12.663 -6.275 1.00 74.32 H new ATOM 0 HE1 HIS A 156 -17.680 -10.069 -3.279 1.00 63.12 H new ATOM 0 HE2 HIS A 156 -15.610 -11.222 -4.188 1.00 15.33 H new ATOM 2512 N HIS A 157 -20.711 -11.900 -9.737 1.00 24.34 N ATOM 2513 CA HIS A 157 -21.647 -12.094 -10.859 1.00 11.40 C ATOM 2514 C HIS A 157 -21.731 -10.780 -11.650 1.00 22.04 C ATOM 2515 O HIS A 157 -21.863 -9.709 -11.041 1.00 41.32 O ATOM 2516 CB HIS A 157 -23.056 -12.487 -10.345 1.00 12.05 C ATOM 2517 CG HIS A 157 -23.149 -13.854 -9.709 1.00 62.23 C ATOM 2518 ND1 HIS A 157 -23.906 -14.120 -8.585 1.00 15.21 N ATOM 2519 CD2 HIS A 157 -22.608 -15.043 -10.074 1.00 60.03 C ATOM 2520 CE1 HIS A 157 -23.819 -15.403 -8.292 1.00 12.34 C ATOM 2521 NE2 HIS A 157 -23.041 -15.984 -9.180 1.00 71.11 N ATOM 0 H HIS A 157 -20.898 -11.050 -9.205 1.00 24.34 H new ATOM 0 HA HIS A 157 -21.285 -12.902 -11.495 1.00 11.40 H new ATOM 0 HB2 HIS A 157 -23.381 -11.743 -9.618 1.00 12.05 H new ATOM 0 HB3 HIS A 157 -23.755 -12.444 -11.180 1.00 12.05 H new ATOM 0 HD2 HIS A 157 -21.955 -15.216 -10.917 1.00 60.03 H new ATOM 0 HE1 HIS A 157 -24.305 -15.894 -7.462 1.00 12.34 H new ATOM 0 HE2 HIS A 157 -22.800 -16.975 -9.199 1.00 71.11 H new ATOM 2530 N HIS A 158 -21.656 -10.857 -12.999 1.00 3.34 N ATOM 2531 CA HIS A 158 -21.746 -9.657 -13.865 1.00 70.04 C ATOM 2532 C HIS A 158 -23.222 -9.210 -14.013 1.00 71.31 C ATOM 2533 O HIS A 158 -23.921 -9.584 -14.958 1.00 12.31 O ATOM 2534 CB HIS A 158 -21.030 -9.872 -15.241 1.00 4.50 C ATOM 2535 CG HIS A 158 -21.546 -10.994 -16.108 1.00 50.00 C ATOM 2536 ND1 HIS A 158 -22.397 -10.786 -17.171 1.00 50.23 N ATOM 2537 CD2 HIS A 158 -21.289 -12.322 -16.099 1.00 30.44 C ATOM 2538 CE1 HIS A 158 -22.640 -11.930 -17.770 1.00 64.53 C ATOM 2539 NE2 HIS A 158 -21.980 -12.874 -17.141 1.00 62.41 N ATOM 0 H HIS A 158 -21.534 -11.732 -13.509 1.00 3.34 H new ATOM 0 HA HIS A 158 -21.207 -8.842 -13.382 1.00 70.04 H new ATOM 0 HB2 HIS A 158 -21.100 -8.944 -15.809 1.00 4.50 H new ATOM 0 HB3 HIS A 158 -19.972 -10.050 -15.049 1.00 4.50 H new ATOM 0 HD2 HIS A 158 -20.656 -12.848 -15.399 1.00 30.44 H new ATOM 0 HE1 HIS A 158 -23.275 -12.070 -18.633 1.00 64.53 H new ATOM 0 HE2 HIS A 158 -21.982 -13.863 -17.390 1.00 62.41 H new ATOM 2548 N HIS A 159 -23.688 -8.465 -12.992 1.00 72.24 N ATOM 2549 CA HIS A 159 -25.064 -7.942 -12.890 1.00 23.52 C ATOM 2550 C HIS A 159 -25.080 -6.756 -11.902 1.00 34.23 C ATOM 2551 O HIS A 159 -25.029 -6.975 -10.689 1.00 64.42 O ATOM 2552 CB HIS A 159 -26.069 -9.058 -12.427 1.00 45.24 C ATOM 2553 CG HIS A 159 -26.675 -9.875 -13.547 1.00 10.51 C ATOM 2554 ND1 HIS A 159 -26.326 -11.182 -13.808 1.00 21.11 N ATOM 2555 CD2 HIS A 159 -27.631 -9.563 -14.457 1.00 10.22 C ATOM 2556 CE1 HIS A 159 -27.035 -11.633 -14.823 1.00 14.21 C ATOM 2557 NE2 HIS A 159 -27.831 -10.673 -15.237 1.00 34.43 N ATOM 0 H HIS A 159 -23.105 -8.204 -12.197 1.00 72.24 H new ATOM 0 HA HIS A 159 -25.386 -7.605 -13.875 1.00 23.52 H new ATOM 0 HB2 HIS A 159 -25.551 -9.732 -11.744 1.00 45.24 H new ATOM 0 HB3 HIS A 159 -26.875 -8.589 -11.862 1.00 45.24 H new ATOM 0 HD2 HIS A 159 -28.141 -8.615 -14.550 1.00 10.22 H new ATOM 0 HE1 HIS A 159 -26.972 -12.626 -15.244 1.00 14.21 H new ATOM 0 HE2 HIS A 159 -28.490 -10.742 -16.012 1.00 34.43 H new ATOM 2566 N HIS A 160 -25.126 -5.515 -12.454 1.00 72.33 N ATOM 2567 CA HIS A 160 -25.156 -4.245 -11.686 1.00 41.22 C ATOM 2568 C HIS A 160 -23.861 -4.087 -10.827 1.00 21.41 C ATOM 2569 O HIS A 160 -22.858 -3.576 -11.359 1.00 22.01 O ATOM 2570 CB HIS A 160 -26.471 -4.119 -10.840 1.00 52.13 C ATOM 2571 CG HIS A 160 -26.577 -2.832 -10.054 1.00 22.15 C ATOM 2572 ND1 HIS A 160 -26.692 -1.599 -10.652 1.00 54.10 N ATOM 2573 CD2 HIS A 160 -26.543 -2.590 -8.718 1.00 65.44 C ATOM 2574 CE1 HIS A 160 -26.722 -0.662 -9.728 1.00 55.50 C ATOM 2575 NE2 HIS A 160 -26.634 -1.235 -8.549 1.00 51.42 N ATOM 2576 OXT HIS A 160 -23.843 -4.497 -9.644 1.00 37.50 O ATOM 0 H HIS A 160 -25.144 -5.368 -13.463 1.00 72.33 H new ATOM 0 HA HIS A 160 -25.170 -3.414 -12.391 1.00 41.22 H new ATOM 0 HB2 HIS A 160 -27.329 -4.196 -11.508 1.00 52.13 H new ATOM 0 HB3 HIS A 160 -26.528 -4.960 -10.149 1.00 52.13 H new ATOM 0 HD2 HIS A 160 -26.460 -3.329 -7.935 1.00 65.44 H new ATOM 0 HE1 HIS A 160 -26.805 0.400 -9.909 1.00 55.50 H new ATOM 0 HE2 HIS A 160 -26.634 -0.749 -7.652 1.00 51.42 H new TER 2585 HIS A 160