USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1028 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 22 MET CE :methyl -120:sc= -6.49! (180deg=-7.89!) USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= -0.52 F(o=-9.1,f=-8) USER MOD Set 1.3: A 77 TYR OH : rot 8:sc= -1.03 USER MOD Set 2.1: A 58 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.208) USER MOD Set 2.2: A 119 LYS NZ :NH3+ -165:sc=-0.00482 (180deg=-0.0825) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0.00601 USER MOD Set 3.2: A 10 LYS NZ :NH3+ 159:sc= 0.00666 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= -0.202 (180deg=-2.04!) USER MOD Single : A 33 TYR OH : rot -127:sc= 0.478 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.0418 F(o=-0.6,f=-0.042) USER MOD Single : A 40 CYS SG : rot -88:sc= -0.768! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -2.07 F(o=-7.8!,f=-2.1) USER MOD Single : A 47 TYR OH : rot -167:sc= -0.789 USER MOD Single : A 48 THR OG1 : rot 71:sc= 0.141 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 93:sc= 0.431 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -2.59 K(o=-2.6,f=-9.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -151:sc= -2.02! (180deg=-4.51!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.497 K(o=0.5,f=-2.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -60:sc= 0.799 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0123 USER MOD Single : A 90 SER OG : rot 1:sc= 1.01 USER MOD Single : A 93 LYS NZ :NH3+ 161:sc= -1.82 (180deg=-2.13) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= -0.0845 (180deg=-0.476) USER MOD Single : A 95 ASN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-2.8!) USER MOD Single : A 110 SER OG : rot -84:sc= 1.28 USER MOD Single : A 111 LYS NZ :NH3+ -163:sc= 0.42 (180deg=0.282) USER MOD Single : A 116 HIS : no HE2:sc= -6.4! C(o=-6.4!,f=-6.8!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= -0.657 USER MOD Single : A 123 THR OG1 : rot -62:sc= 0.284 USER MOD Single : A 124 LYS NZ :NH3+ -138:sc=-0.00133 (180deg=-0.68) USER MOD Single : A 128 SER OG : rot 180:sc= 0.00142 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.545 -7.145 -16.187 1.00 0.00 N ATOM 2 CA GLY A 1 0.512 -7.036 -17.200 1.00 0.00 C ATOM 3 C GLY A 1 0.899 -6.098 -18.326 1.00 0.00 C ATOM 4 O GLY A 1 1.136 -6.533 -19.452 1.00 0.00 O ATOM 0 H1 GLY A 1 1.231 -7.797 -15.440 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.418 -7.508 -16.619 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.727 -6.208 -15.774 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.304 -8.024 -17.610 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.410 -6.683 -16.738 1.00 0.00 H new ATOM 8 N SER A 2 0.962 -4.805 -18.021 1.00 0.00 N ATOM 9 CA SER A 2 1.318 -3.802 -19.017 1.00 0.00 C ATOM 10 C SER A 2 2.767 -3.357 -18.847 1.00 0.00 C ATOM 11 O SER A 2 3.389 -3.612 -17.816 1.00 0.00 O ATOM 12 CB SER A 2 0.386 -2.593 -18.909 1.00 0.00 C ATOM 13 OG SER A 2 0.409 -2.046 -17.602 1.00 0.00 O ATOM 0 H SER A 2 0.771 -4.428 -17.092 1.00 0.00 H new ATOM 0 HA SER A 2 1.208 -4.251 -20.004 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.687 -1.833 -19.630 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.631 -2.890 -19.164 1.00 0.00 H new ATOM 0 HG SER A 2 -0.193 -1.274 -17.560 1.00 0.00 H new ATOM 19 N SER A 3 3.299 -2.691 -19.867 1.00 0.00 N ATOM 20 CA SER A 3 4.677 -2.214 -19.833 1.00 0.00 C ATOM 21 C SER A 3 4.761 -0.844 -19.167 1.00 0.00 C ATOM 22 O SER A 3 3.872 -0.009 -19.324 1.00 0.00 O ATOM 23 CB SER A 3 5.248 -2.140 -21.251 1.00 0.00 C ATOM 24 OG SER A 3 6.664 -2.175 -21.232 1.00 0.00 O ATOM 0 H SER A 3 2.797 -2.469 -20.727 1.00 0.00 H new ATOM 0 HA SER A 3 5.266 -2.920 -19.248 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.868 -2.972 -21.843 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.910 -1.224 -21.735 1.00 0.00 H new ATOM 0 HG SER A 3 7.005 -2.128 -22.150 1.00 0.00 H new ATOM 30 N GLY A 4 5.839 -0.622 -18.421 1.00 0.00 N ATOM 31 CA GLY A 4 6.021 0.647 -17.741 1.00 0.00 C ATOM 32 C GLY A 4 6.753 1.663 -18.595 1.00 0.00 C ATOM 33 O GLY A 4 7.972 1.590 -18.751 1.00 0.00 O ATOM 0 H GLY A 4 6.589 -1.298 -18.276 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.047 1.048 -17.460 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.578 0.484 -16.818 1.00 0.00 H new ATOM 37 N SER A 5 6.008 2.613 -19.152 1.00 0.00 N ATOM 38 CA SER A 5 6.593 3.645 -20.000 1.00 0.00 C ATOM 39 C SER A 5 6.803 4.937 -19.216 1.00 0.00 C ATOM 40 O SER A 5 7.795 5.639 -19.409 1.00 0.00 O ATOM 41 CB SER A 5 5.697 3.908 -21.211 1.00 0.00 C ATOM 42 OG SER A 5 4.443 4.434 -20.812 1.00 0.00 O ATOM 0 H SER A 5 4.998 2.689 -19.031 1.00 0.00 H new ATOM 0 HA SER A 5 7.563 3.290 -20.347 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.190 4.607 -21.887 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.547 2.981 -21.765 1.00 0.00 H new ATOM 0 HG SER A 5 3.889 4.595 -21.604 1.00 0.00 H new ATOM 48 N SER A 6 5.859 5.245 -18.332 1.00 0.00 N ATOM 49 CA SER A 6 5.937 6.455 -17.522 1.00 0.00 C ATOM 50 C SER A 6 6.015 6.110 -16.037 1.00 0.00 C ATOM 51 O SER A 6 5.015 5.750 -15.419 1.00 0.00 O ATOM 52 CB SER A 6 4.724 7.350 -17.786 1.00 0.00 C ATOM 53 OG SER A 6 4.888 8.621 -17.182 1.00 0.00 O ATOM 0 H SER A 6 5.032 4.674 -18.159 1.00 0.00 H new ATOM 0 HA SER A 6 6.844 6.992 -17.801 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.583 7.470 -18.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.824 6.873 -17.398 1.00 0.00 H new ATOM 0 HG SER A 6 4.101 9.175 -17.366 1.00 0.00 H new ATOM 59 N GLY A 7 7.213 6.224 -15.472 1.00 0.00 N ATOM 60 CA GLY A 7 7.402 5.922 -14.065 1.00 0.00 C ATOM 61 C GLY A 7 7.271 4.441 -13.768 1.00 0.00 C ATOM 62 O GLY A 7 6.489 3.727 -14.397 1.00 0.00 O ATOM 0 H GLY A 7 8.056 6.520 -15.964 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.387 6.267 -13.752 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.669 6.474 -13.476 1.00 0.00 H new ATOM 66 N PRO A 8 8.052 3.958 -12.790 1.00 0.00 N ATOM 67 CA PRO A 8 8.038 2.548 -12.390 1.00 0.00 C ATOM 68 C PRO A 8 6.745 2.158 -11.684 1.00 0.00 C ATOM 69 O PRO A 8 6.198 1.081 -11.919 1.00 0.00 O ATOM 70 CB PRO A 8 9.226 2.441 -11.430 1.00 0.00 C ATOM 71 CG PRO A 8 9.401 3.818 -10.889 1.00 0.00 C ATOM 72 CD PRO A 8 9.007 4.752 -11.999 1.00 0.00 C ATOM 0 HA PRO A 8 8.104 1.880 -13.249 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.027 1.725 -10.633 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.124 2.102 -11.947 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.778 3.973 -10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.433 3.989 -10.583 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.550 5.663 -11.614 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.868 5.054 -12.595 1.00 0.00 H new ATOM 80 N VAL A 9 6.259 3.042 -10.817 1.00 0.00 N ATOM 81 CA VAL A 9 5.029 2.790 -10.077 1.00 0.00 C ATOM 82 C VAL A 9 3.809 2.900 -10.985 1.00 0.00 C ATOM 83 O VAL A 9 3.569 3.941 -11.598 1.00 0.00 O ATOM 84 CB VAL A 9 4.870 3.773 -8.901 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.637 3.428 -8.080 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.118 3.769 -8.032 1.00 0.00 C ATOM 0 H VAL A 9 6.699 3.939 -10.611 1.00 0.00 H new ATOM 0 HA VAL A 9 5.097 1.775 -9.686 1.00 0.00 H new ATOM 0 HB VAL A 9 4.739 4.777 -9.304 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.541 4.133 -7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.751 3.487 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.734 2.417 -7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.989 4.469 -7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.282 2.767 -7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.979 4.069 -8.630 1.00 0.00 H new ATOM 96 N LYS A 10 3.040 1.820 -11.068 1.00 0.00 N ATOM 97 CA LYS A 10 1.843 1.794 -11.900 1.00 0.00 C ATOM 98 C LYS A 10 0.692 2.527 -11.220 1.00 0.00 C ATOM 99 O LYS A 10 0.515 2.436 -10.005 1.00 0.00 O ATOM 100 CB LYS A 10 1.436 0.349 -12.199 1.00 0.00 C ATOM 101 CG LYS A 10 0.112 0.230 -12.933 1.00 0.00 C ATOM 102 CD LYS A 10 0.072 -1.008 -13.814 1.00 0.00 C ATOM 103 CE LYS A 10 -1.240 -1.108 -14.575 1.00 0.00 C ATOM 104 NZ LYS A 10 -1.537 -2.508 -14.988 1.00 0.00 N ATOM 0 H LYS A 10 3.225 0.950 -10.569 1.00 0.00 H new ATOM 0 HA LYS A 10 2.071 2.302 -12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.216 -0.123 -12.796 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.373 -0.203 -11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.703 0.190 -12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.047 1.118 -13.544 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.902 -0.980 -14.520 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.206 -1.898 -13.199 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.051 -0.734 -13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.197 -0.470 -15.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.555 -2.606 -15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.004 -2.736 -15.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.259 -3.161 -14.227 1.00 0.00 H new ATOM 118 N VAL A 11 -0.091 3.254 -12.011 1.00 0.00 N ATOM 119 CA VAL A 11 -1.227 4.001 -11.486 1.00 0.00 C ATOM 120 C VAL A 11 -2.532 3.244 -11.707 1.00 0.00 C ATOM 121 O VAL A 11 -2.783 2.721 -12.793 1.00 0.00 O ATOM 122 CB VAL A 11 -1.336 5.391 -12.139 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.044 5.924 -12.493 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.226 5.333 -13.372 1.00 0.00 C ATOM 0 H VAL A 11 0.041 3.341 -13.019 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.058 4.123 -10.416 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.791 6.075 -11.423 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.053 6.907 -12.953 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.646 6.005 -11.588 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.529 5.242 -13.192 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.291 6.324 -13.820 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.802 4.635 -14.094 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.223 4.998 -13.086 1.00 0.00 H new ATOM 134 N VAL A 12 -3.362 3.191 -10.670 1.00 0.00 N ATOM 135 CA VAL A 12 -4.643 2.499 -10.751 1.00 0.00 C ATOM 136 C VAL A 12 -5.789 3.415 -10.336 1.00 0.00 C ATOM 137 O VAL A 12 -5.658 4.208 -9.403 1.00 0.00 O ATOM 138 CB VAL A 12 -4.659 1.241 -9.864 1.00 0.00 C ATOM 139 CG1 VAL A 12 -6.017 0.559 -9.927 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.553 0.283 -10.279 1.00 0.00 C ATOM 0 H VAL A 12 -3.170 3.619 -9.764 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.777 2.202 -11.791 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.479 1.543 -8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.008 -0.328 -9.294 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.786 1.247 -9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.231 0.268 -10.956 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.579 -0.601 -9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.700 -0.014 -11.317 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.587 0.776 -10.176 1.00 0.00 H new ATOM 150 N VAL A 13 -6.914 3.300 -11.035 1.00 0.00 N ATOM 151 CA VAL A 13 -8.085 4.117 -10.738 1.00 0.00 C ATOM 152 C VAL A 13 -9.222 3.266 -10.183 1.00 0.00 C ATOM 153 O VAL A 13 -9.064 2.065 -9.966 1.00 0.00 O ATOM 154 CB VAL A 13 -8.581 4.863 -11.990 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.568 5.912 -12.423 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.861 3.882 -13.119 1.00 0.00 C ATOM 0 H VAL A 13 -7.039 2.649 -11.810 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.780 4.846 -9.987 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.512 5.372 -11.743 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.936 6.429 -13.309 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.422 6.632 -11.617 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.619 5.428 -12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.211 4.427 -13.996 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.947 3.343 -13.367 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.626 3.173 -12.803 1.00 0.00 H new ATOM 166 N GLY A 14 -10.370 3.897 -9.956 1.00 0.00 N ATOM 167 CA GLY A 14 -11.518 3.182 -9.429 1.00 0.00 C ATOM 168 C GLY A 14 -12.152 2.266 -10.457 1.00 0.00 C ATOM 169 O GLY A 14 -13.007 1.445 -10.124 1.00 0.00 O ATOM 0 H GLY A 14 -10.526 4.890 -10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.211 2.595 -8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.260 3.900 -9.079 1.00 0.00 H new ATOM 173 N LYS A 15 -11.734 2.406 -11.710 1.00 0.00 N ATOM 174 CA LYS A 15 -12.267 1.585 -12.791 1.00 0.00 C ATOM 175 C LYS A 15 -11.409 0.341 -13.003 1.00 0.00 C ATOM 176 O LYS A 15 -11.847 -0.631 -13.619 1.00 0.00 O ATOM 177 CB LYS A 15 -12.338 2.395 -14.087 1.00 0.00 C ATOM 178 CG LYS A 15 -11.120 2.225 -14.978 1.00 0.00 C ATOM 179 CD LYS A 15 -11.150 3.188 -16.153 1.00 0.00 C ATOM 180 CE LYS A 15 -9.789 3.292 -16.824 1.00 0.00 C ATOM 181 NZ LYS A 15 -9.709 4.463 -17.740 1.00 0.00 N ATOM 0 H LYS A 15 -11.027 3.081 -12.002 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.272 1.269 -12.512 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.228 2.099 -14.642 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.453 3.450 -13.840 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.215 2.390 -14.394 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.078 1.200 -15.347 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.890 2.854 -16.880 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.463 4.174 -15.809 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.014 3.374 -16.062 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.590 2.379 -17.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.766 4.498 -18.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.432 4.373 -18.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.873 5.337 -17.201 1.00 0.00 H new ATOM 195 N THR A 16 -10.184 0.378 -12.487 1.00 0.00 N ATOM 196 CA THR A 16 -9.265 -0.745 -12.619 1.00 0.00 C ATOM 197 C THR A 16 -8.674 -1.134 -11.269 1.00 0.00 C ATOM 198 O THR A 16 -7.704 -1.890 -11.199 1.00 0.00 O ATOM 199 CB THR A 16 -8.118 -0.421 -13.595 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.305 0.630 -13.063 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.664 -0.009 -14.954 1.00 0.00 C ATOM 0 H THR A 16 -9.806 1.174 -11.974 1.00 0.00 H new ATOM 0 HA THR A 16 -9.843 -1.581 -13.014 1.00 0.00 H new ATOM 0 HB THR A 16 -7.513 -1.319 -13.722 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.577 0.829 -13.688 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.836 0.215 -15.626 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.259 -0.823 -15.369 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.290 0.877 -14.842 1.00 0.00 H new ATOM 209 N PHE A 17 -9.263 -0.613 -10.198 1.00 0.00 N ATOM 210 CA PHE A 17 -8.794 -0.906 -8.849 1.00 0.00 C ATOM 211 C PHE A 17 -9.097 -2.353 -8.469 1.00 0.00 C ATOM 212 O PHE A 17 -8.199 -3.110 -8.101 1.00 0.00 O ATOM 213 CB PHE A 17 -9.446 0.044 -7.842 1.00 0.00 C ATOM 214 CG PHE A 17 -9.142 -0.298 -6.411 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.745 -1.386 -5.801 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.253 0.470 -5.676 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.466 -1.703 -4.485 1.00 0.00 C ATOM 218 CE2 PHE A 17 -7.970 0.157 -4.360 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.578 -0.930 -3.763 1.00 0.00 C ATOM 0 H PHE A 17 -10.066 0.014 -10.238 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.714 -0.762 -8.828 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.109 1.061 -8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.526 0.031 -7.989 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.441 -1.993 -6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.776 1.322 -6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.942 -2.555 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.274 0.762 -3.799 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.360 -1.175 -2.734 1.00 0.00 H new ATOM 229 N ASP A 18 -10.368 -2.729 -8.562 1.00 0.00 N ATOM 230 CA ASP A 18 -10.790 -4.084 -8.230 1.00 0.00 C ATOM 231 C ASP A 18 -10.239 -5.088 -9.238 1.00 0.00 C ATOM 232 O ASP A 18 -10.380 -6.298 -9.064 1.00 0.00 O ATOM 233 CB ASP A 18 -12.317 -4.170 -8.189 1.00 0.00 C ATOM 234 CG ASP A 18 -12.884 -3.754 -6.846 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.617 -4.454 -5.847 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.597 -2.729 -6.794 1.00 0.00 O ATOM 0 H ASP A 18 -11.124 -2.114 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.393 -4.330 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.735 -3.534 -8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.627 -5.191 -8.410 1.00 0.00 H new ATOM 241 N ALA A 19 -9.611 -4.576 -10.292 1.00 0.00 N ATOM 242 CA ALA A 19 -9.038 -5.428 -11.327 1.00 0.00 C ATOM 243 C ALA A 19 -7.543 -5.633 -11.103 1.00 0.00 C ATOM 244 O ALA A 19 -7.042 -6.755 -11.189 1.00 0.00 O ATOM 245 CB ALA A 19 -9.290 -4.829 -12.702 1.00 0.00 C ATOM 0 H ALA A 19 -9.486 -3.576 -10.451 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.524 -6.402 -11.272 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.857 -5.475 -13.465 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.363 -4.740 -12.869 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.831 -3.842 -12.759 1.00 0.00 H new ATOM 251 N ILE A 20 -6.838 -4.545 -10.817 1.00 0.00 N ATOM 252 CA ILE A 20 -5.401 -4.607 -10.581 1.00 0.00 C ATOM 253 C ILE A 20 -5.093 -4.751 -9.094 1.00 0.00 C ATOM 254 O ILE A 20 -4.637 -5.802 -8.643 1.00 0.00 O ATOM 255 CB ILE A 20 -4.687 -3.354 -11.121 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.834 -3.273 -12.642 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.218 -3.369 -10.726 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.654 -1.875 -13.193 1.00 0.00 C ATOM 0 H ILE A 20 -7.238 -3.610 -10.743 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.032 -5.484 -11.113 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.152 -2.471 -10.682 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.102 -3.934 -13.105 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.820 -3.642 -12.924 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.727 -2.477 -11.115 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.134 -3.385 -9.639 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.739 -4.256 -11.140 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.772 -1.893 -14.276 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.403 -1.213 -12.758 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.658 -1.511 -12.942 1.00 0.00 H new ATOM 270 N VAL A 21 -5.348 -3.689 -8.336 1.00 0.00 N ATOM 271 CA VAL A 21 -5.102 -3.698 -6.899 1.00 0.00 C ATOM 272 C VAL A 21 -5.731 -4.921 -6.242 1.00 0.00 C ATOM 273 O VAL A 21 -5.318 -5.339 -5.160 1.00 0.00 O ATOM 274 CB VAL A 21 -5.654 -2.427 -6.228 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.551 -2.535 -4.714 1.00 0.00 C ATOM 276 CG2 VAL A 21 -4.917 -1.195 -6.733 1.00 0.00 C ATOM 0 H VAL A 21 -5.725 -2.811 -8.694 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.021 -3.732 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.707 -2.326 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.946 -1.628 -4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.127 -3.395 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.507 -2.660 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.320 -0.306 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.856 -1.285 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.047 -1.110 -7.812 1.00 0.00 H new ATOM 286 N MET A 22 -6.733 -5.492 -6.902 1.00 0.00 N ATOM 287 CA MET A 22 -7.419 -6.669 -6.382 1.00 0.00 C ATOM 288 C MET A 22 -7.229 -7.864 -7.312 1.00 0.00 C ATOM 289 O MET A 22 -8.137 -8.675 -7.488 1.00 0.00 O ATOM 290 CB MET A 22 -8.910 -6.380 -6.203 1.00 0.00 C ATOM 291 CG MET A 22 -9.201 -5.314 -5.158 1.00 0.00 C ATOM 292 SD MET A 22 -9.085 -5.944 -3.473 1.00 0.00 S ATOM 293 CE MET A 22 -8.343 -4.544 -2.639 1.00 0.00 C ATOM 0 H MET A 22 -7.088 -5.159 -7.798 1.00 0.00 H new ATOM 0 HA MET A 22 -6.985 -6.912 -5.412 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.328 -6.064 -7.159 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.419 -7.302 -5.922 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.500 -4.488 -5.282 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.200 -4.912 -5.323 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.390 -4.843 -2.203 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.178 -3.739 -3.355 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.009 -4.196 -1.850 1.00 0.00 H new ATOM 303 N ASP A 23 -6.044 -7.965 -7.903 1.00 0.00 N ATOM 304 CA ASP A 23 -5.735 -9.061 -8.814 1.00 0.00 C ATOM 305 C ASP A 23 -5.235 -10.281 -8.047 1.00 0.00 C ATOM 306 O ASP A 23 -4.133 -10.291 -7.498 1.00 0.00 O ATOM 307 CB ASP A 23 -4.686 -8.622 -9.837 1.00 0.00 C ATOM 308 CG ASP A 23 -4.803 -9.377 -11.147 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.031 -10.604 -11.106 1.00 0.00 O ATOM 310 OD2 ASP A 23 -4.668 -8.740 -12.212 1.00 0.00 O ATOM 0 H ASP A 23 -5.281 -7.301 -7.768 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.651 -9.334 -9.338 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.792 -7.554 -10.026 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.690 -8.775 -9.421 1.00 0.00 H new ATOM 315 N PRO A 24 -6.064 -11.335 -8.005 1.00 0.00 N ATOM 316 CA PRO A 24 -5.728 -12.579 -7.308 1.00 0.00 C ATOM 317 C PRO A 24 -4.618 -13.355 -8.008 1.00 0.00 C ATOM 318 O PRO A 24 -4.227 -14.436 -7.566 1.00 0.00 O ATOM 319 CB PRO A 24 -7.038 -13.370 -7.343 1.00 0.00 C ATOM 320 CG PRO A 24 -7.766 -12.845 -8.532 1.00 0.00 C ATOM 321 CD PRO A 24 -7.393 -11.393 -8.638 1.00 0.00 C ATOM 0 HA PRO A 24 -5.353 -12.393 -6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.852 -14.440 -7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.614 -13.223 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.483 -13.388 -9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.843 -12.964 -8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.359 -11.062 -9.676 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.111 -10.755 -8.123 1.00 0.00 H new ATOM 329 N LYS A 25 -4.113 -12.798 -9.104 1.00 0.00 N ATOM 330 CA LYS A 25 -3.047 -13.436 -9.865 1.00 0.00 C ATOM 331 C LYS A 25 -1.679 -13.065 -9.302 1.00 0.00 C ATOM 332 O LYS A 25 -0.678 -13.721 -9.592 1.00 0.00 O ATOM 333 CB LYS A 25 -3.131 -13.030 -11.339 1.00 0.00 C ATOM 334 CG LYS A 25 -4.367 -13.558 -12.045 1.00 0.00 C ATOM 335 CD LYS A 25 -4.104 -13.804 -13.521 1.00 0.00 C ATOM 336 CE LYS A 25 -5.399 -13.988 -14.296 1.00 0.00 C ATOM 337 NZ LYS A 25 -5.149 -14.295 -15.731 1.00 0.00 N ATOM 0 H LYS A 25 -4.426 -11.905 -9.485 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.173 -14.516 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.120 -11.942 -11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.244 -13.392 -11.858 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.689 -14.486 -11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.183 -12.844 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.546 -12.965 -13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.480 -14.690 -13.637 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.979 -14.795 -13.848 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.000 -13.082 -14.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.057 -14.413 -16.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.618 -13.514 -16.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.597 -15.173 -15.807 1.00 0.00 H new ATOM 351 N LYS A 26 -1.643 -12.010 -8.495 1.00 0.00 N ATOM 352 CA LYS A 26 -0.398 -11.553 -7.888 1.00 0.00 C ATOM 353 C LYS A 26 -0.660 -10.426 -6.894 1.00 0.00 C ATOM 354 O LYS A 26 -1.604 -9.652 -7.053 1.00 0.00 O ATOM 355 CB LYS A 26 0.576 -11.078 -8.969 1.00 0.00 C ATOM 356 CG LYS A 26 0.008 -9.990 -9.864 1.00 0.00 C ATOM 357 CD LYS A 26 1.101 -9.080 -10.398 1.00 0.00 C ATOM 358 CE LYS A 26 1.720 -9.640 -11.670 1.00 0.00 C ATOM 359 NZ LYS A 26 3.102 -9.128 -11.885 1.00 0.00 N ATOM 0 H LYS A 26 -2.462 -11.455 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 26 0.045 -12.392 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.483 -10.707 -8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.865 -11.929 -9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.527 -10.446 -10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.717 -9.399 -9.305 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.688 -8.091 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.874 -8.955 -9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.740 -10.728 -11.616 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.097 -9.375 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.675 -9.860 -12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.068 -8.280 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.529 -8.886 -10.968 1.00 0.00 H new ATOM 373 N ASP A 27 0.182 -10.339 -5.870 1.00 0.00 N ATOM 374 CA ASP A 27 0.043 -9.305 -4.851 1.00 0.00 C ATOM 375 C ASP A 27 0.272 -7.920 -5.448 1.00 0.00 C ATOM 376 O ASP A 27 1.064 -7.756 -6.377 1.00 0.00 O ATOM 377 CB ASP A 27 1.028 -9.551 -3.707 1.00 0.00 C ATOM 378 CG ASP A 27 1.284 -11.026 -3.470 1.00 0.00 C ATOM 379 OD1 ASP A 27 0.353 -11.724 -3.016 1.00 0.00 O ATOM 380 OD2 ASP A 27 2.415 -11.483 -3.737 1.00 0.00 O ATOM 0 H ASP A 27 0.968 -10.972 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.974 -9.349 -4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.971 -9.053 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.639 -9.101 -2.793 1.00 0.00 H new ATOM 385 N VAL A 28 -0.426 -6.926 -4.909 1.00 0.00 N ATOM 386 CA VAL A 28 -0.299 -5.555 -5.388 1.00 0.00 C ATOM 387 C VAL A 28 -0.358 -4.561 -4.233 1.00 0.00 C ATOM 388 O VAL A 28 -1.375 -4.448 -3.548 1.00 0.00 O ATOM 389 CB VAL A 28 -1.404 -5.210 -6.404 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.346 -3.736 -6.776 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.282 -6.087 -7.641 1.00 0.00 C ATOM 0 H VAL A 28 -1.086 -7.045 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 28 0.671 -5.481 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.372 -5.405 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.134 -3.511 -7.495 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.486 -3.129 -5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.376 -3.510 -7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.070 -5.830 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.310 -5.926 -8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.378 -7.134 -7.355 1.00 0.00 H new ATOM 401 N LEU A 29 0.740 -3.843 -4.021 1.00 0.00 N ATOM 402 CA LEU A 29 0.814 -2.858 -2.948 1.00 0.00 C ATOM 403 C LEU A 29 0.269 -1.509 -3.409 1.00 0.00 C ATOM 404 O LEU A 29 0.943 -0.770 -4.127 1.00 0.00 O ATOM 405 CB LEU A 29 2.259 -2.701 -2.471 1.00 0.00 C ATOM 406 CG LEU A 29 2.464 -1.845 -1.221 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.126 -2.639 0.031 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.895 -1.329 -1.157 1.00 0.00 C ATOM 0 H LEU A 29 1.591 -3.925 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 29 0.201 -3.213 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.667 -3.693 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.844 -2.268 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 29 1.792 -0.989 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.278 -2.013 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.085 -2.959 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.773 -3.514 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.023 -0.722 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.585 -2.172 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.103 -0.723 -2.039 1.00 0.00 H new ATOM 420 N ILE A 30 -0.952 -1.196 -2.989 1.00 0.00 N ATOM 421 CA ILE A 30 -1.585 0.065 -3.356 1.00 0.00 C ATOM 422 C ILE A 30 -1.290 1.149 -2.324 1.00 0.00 C ATOM 423 O ILE A 30 -1.427 0.928 -1.122 1.00 0.00 O ATOM 424 CB ILE A 30 -3.110 -0.091 -3.498 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.731 1.206 -4.020 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.729 -0.482 -2.165 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.381 1.507 -5.461 1.00 0.00 C ATOM 0 H ILE A 30 -1.522 -1.798 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.167 0.359 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.314 -0.884 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.815 1.145 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.401 2.035 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.807 -0.588 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.305 -1.429 -1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.519 0.291 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.856 2.441 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.300 1.601 -5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.735 0.697 -6.098 1.00 0.00 H new ATOM 439 N GLU A 31 -0.887 2.321 -2.804 1.00 0.00 N ATOM 440 CA GLU A 31 -0.574 3.440 -1.923 1.00 0.00 C ATOM 441 C GLU A 31 -1.442 4.651 -2.252 1.00 0.00 C ATOM 442 O GLU A 31 -1.271 5.286 -3.293 1.00 0.00 O ATOM 443 CB GLU A 31 0.906 3.812 -2.040 1.00 0.00 C ATOM 444 CG GLU A 31 1.274 5.084 -1.295 1.00 0.00 C ATOM 445 CD GLU A 31 2.477 5.785 -1.896 1.00 0.00 C ATOM 446 OE1 GLU A 31 3.598 5.249 -1.770 1.00 0.00 O ATOM 447 OE2 GLU A 31 2.297 6.867 -2.492 1.00 0.00 O ATOM 0 H GLU A 31 -0.770 2.520 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.784 3.132 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.510 2.989 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.160 3.931 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.422 5.764 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.482 4.843 -0.253 1.00 0.00 H new ATOM 454 N PHE A 32 -2.373 4.965 -1.358 1.00 0.00 N ATOM 455 CA PHE A 32 -3.269 6.099 -1.553 1.00 0.00 C ATOM 456 C PHE A 32 -2.547 7.416 -1.283 1.00 0.00 C ATOM 457 O PHE A 32 -2.235 7.741 -0.137 1.00 0.00 O ATOM 458 CB PHE A 32 -4.489 5.975 -0.638 1.00 0.00 C ATOM 459 CG PHE A 32 -5.223 4.674 -0.790 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.704 4.274 -2.026 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.433 3.850 0.304 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.380 3.077 -2.170 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.107 2.651 0.167 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.583 2.265 -1.071 1.00 0.00 C ATOM 0 H PHE A 32 -2.527 4.450 -0.491 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.601 6.094 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.168 6.083 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.175 6.796 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.549 4.906 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.066 4.148 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.749 2.777 -3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.261 2.016 1.027 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.113 1.330 -1.179 1.00 0.00 H new ATOM 474 N TYR A 33 -2.285 8.168 -2.345 1.00 0.00 N ATOM 475 CA TYR A 33 -1.597 9.448 -2.224 1.00 0.00 C ATOM 476 C TYR A 33 -2.556 10.608 -2.475 1.00 0.00 C ATOM 477 O TYR A 33 -3.540 10.468 -3.201 1.00 0.00 O ATOM 478 CB TYR A 33 -0.427 9.517 -3.206 1.00 0.00 C ATOM 479 CG TYR A 33 -0.855 9.584 -4.655 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.265 10.784 -5.223 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.851 8.448 -5.454 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.658 10.850 -6.546 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.241 8.504 -6.778 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.644 9.707 -7.319 1.00 0.00 C ATOM 485 OH TYR A 33 -2.035 9.768 -8.638 1.00 0.00 O ATOM 0 H TYR A 33 -2.538 7.914 -3.300 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.214 9.531 -1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.180 10.392 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.208 8.643 -3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.277 11.680 -4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.537 7.504 -5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.974 11.790 -6.973 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.230 7.611 -7.386 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.730 9.097 -8.805 1.00 0.00 H new ATOM 495 N ALA A 34 -2.261 11.753 -1.869 1.00 0.00 N ATOM 496 CA ALA A 34 -3.094 12.939 -2.029 1.00 0.00 C ATOM 497 C ALA A 34 -2.341 14.044 -2.762 1.00 0.00 C ATOM 498 O ALA A 34 -1.277 14.493 -2.335 1.00 0.00 O ATOM 499 CB ALA A 34 -3.572 13.434 -0.672 1.00 0.00 C ATOM 0 H ALA A 34 -1.451 11.885 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.961 12.666 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.193 14.320 -0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.155 12.653 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.711 13.685 -0.052 1.00 0.00 H new ATOM 505 N PRO A 35 -2.904 14.494 -3.894 1.00 0.00 N ATOM 506 CA PRO A 35 -2.303 15.552 -4.711 1.00 0.00 C ATOM 507 C PRO A 35 -2.357 16.914 -4.026 1.00 0.00 C ATOM 508 O PRO A 35 -1.847 17.903 -4.552 1.00 0.00 O ATOM 509 CB PRO A 35 -3.164 15.555 -5.976 1.00 0.00 C ATOM 510 CG PRO A 35 -4.478 15.004 -5.542 1.00 0.00 C ATOM 511 CD PRO A 35 -4.172 14.004 -4.462 1.00 0.00 C ATOM 0 HA PRO A 35 -1.245 15.371 -4.900 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.271 16.562 -6.380 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.718 14.943 -6.760 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.128 15.795 -5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.997 14.531 -6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.962 13.969 -3.711 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.069 12.996 -4.865 1.00 0.00 H new ATOM 519 N TRP A 36 -2.977 16.957 -2.853 1.00 0.00 N ATOM 520 CA TRP A 36 -3.097 18.198 -2.097 1.00 0.00 C ATOM 521 C TRP A 36 -2.448 18.064 -0.724 1.00 0.00 C ATOM 522 O TRP A 36 -2.667 18.893 0.160 1.00 0.00 O ATOM 523 CB TRP A 36 -4.568 18.586 -1.944 1.00 0.00 C ATOM 524 CG TRP A 36 -5.464 17.419 -1.659 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.232 16.736 -2.559 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.686 16.799 -0.388 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.918 15.729 -1.924 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.600 15.746 -0.592 1.00 0.00 C ATOM 529 CE3 TRP A 36 -5.201 17.029 0.902 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -7.036 14.928 0.447 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.635 16.217 1.932 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.545 15.176 1.700 1.00 0.00 C ATOM 0 H TRP A 36 -3.405 16.147 -2.404 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.578 18.982 -2.648 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.662 19.313 -1.137 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.903 19.078 -2.857 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.291 16.955 -3.615 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.560 15.075 -2.372 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.499 17.828 1.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.737 14.126 0.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.267 16.387 2.933 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.865 14.558 2.526 1.00 0.00 H new ATOM 543 N CYS A 37 -1.650 17.016 -0.551 1.00 0.00 N ATOM 544 CA CYS A 37 -0.970 16.774 0.716 1.00 0.00 C ATOM 545 C CYS A 37 0.544 16.769 0.528 1.00 0.00 C ATOM 546 O CYS A 37 1.077 16.012 -0.281 1.00 0.00 O ATOM 547 CB CYS A 37 -1.425 15.444 1.317 1.00 0.00 C ATOM 548 SG CYS A 37 -1.195 15.324 3.106 1.00 0.00 S ATOM 0 H CYS A 37 -1.458 16.321 -1.272 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.231 17.582 1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.480 15.296 1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.877 14.634 0.836 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.611 14.164 3.520 1.00 0.00 H new ATOM 554 N GLY A 38 1.231 17.623 1.282 1.00 0.00 N ATOM 555 CA GLY A 38 2.677 17.702 1.182 1.00 0.00 C ATOM 556 C GLY A 38 3.359 16.415 1.602 1.00 0.00 C ATOM 557 O GLY A 38 4.377 16.027 1.028 1.00 0.00 O ATOM 0 H GLY A 38 0.812 18.261 1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.955 17.938 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.037 18.520 1.805 1.00 0.00 H new ATOM 561 N HIS A 39 2.798 15.751 2.607 1.00 0.00 N ATOM 562 CA HIS A 39 3.359 14.500 3.105 1.00 0.00 C ATOM 563 C HIS A 39 3.510 13.485 1.975 1.00 0.00 C ATOM 564 O HIS A 39 4.193 12.471 2.126 1.00 0.00 O ATOM 565 CB HIS A 39 2.473 13.922 4.209 1.00 0.00 C ATOM 566 CG HIS A 39 2.420 14.773 5.441 1.00 0.00 C ATOM 567 ND1 HIS A 39 2.346 16.117 5.586 1.00 0.00 N flip ATOM 568 CD2 HIS A 39 2.443 14.252 6.717 1.00 0.00 C flip ATOM 569 CE1 HIS A 39 2.324 16.381 6.933 1.00 0.00 C flip ATOM 570 NE2 HIS A 39 2.384 15.239 7.594 1.00 0.00 N flip ATOM 0 H HIS A 39 1.955 16.058 3.093 1.00 0.00 H new ATOM 0 HA HIS A 39 4.346 14.712 3.515 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.462 13.793 3.822 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.840 12.931 4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.500 13.202 6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.267 17.363 7.380 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.385 15.136 8.609 1.00 0.00 H new ATOM 579 N CYS A 40 2.870 13.765 0.846 1.00 0.00 N ATOM 580 CA CYS A 40 2.932 12.876 -0.309 1.00 0.00 C ATOM 581 C CYS A 40 4.171 13.165 -1.151 1.00 0.00 C ATOM 582 O CYS A 40 4.870 12.247 -1.581 1.00 0.00 O ATOM 583 CB CYS A 40 1.673 13.027 -1.163 1.00 0.00 C ATOM 584 SG CYS A 40 1.777 14.334 -2.408 1.00 0.00 S ATOM 0 H CYS A 40 2.302 14.600 0.705 1.00 0.00 H new ATOM 0 HA CYS A 40 2.994 11.850 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.470 12.080 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.825 13.230 -0.509 1.00 0.00 H new ATOM 0 HG CYS A 40 1.398 15.462 -1.885 1.00 0.00 H new ATOM 590 N LYS A 41 4.436 14.445 -1.385 1.00 0.00 N ATOM 591 CA LYS A 41 5.589 14.857 -2.176 1.00 0.00 C ATOM 592 C LYS A 41 6.872 14.241 -1.628 1.00 0.00 C ATOM 593 O LYS A 41 7.832 14.024 -2.367 1.00 0.00 O ATOM 594 CB LYS A 41 5.707 16.383 -2.188 1.00 0.00 C ATOM 595 CG LYS A 41 6.365 16.951 -0.942 1.00 0.00 C ATOM 596 CD LYS A 41 5.770 18.297 -0.563 1.00 0.00 C ATOM 597 CE LYS A 41 6.545 19.446 -1.191 1.00 0.00 C ATOM 598 NZ LYS A 41 6.357 20.718 -0.440 1.00 0.00 N ATOM 0 H LYS A 41 3.867 15.217 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 41 5.444 14.503 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.281 16.688 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.712 16.815 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.244 16.252 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.436 17.060 -1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.730 18.340 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.773 18.405 0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.605 19.195 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.220 19.582 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.901 21.476 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.348 20.971 -0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.690 20.596 0.538 1.00 0.00 H new ATOM 612 N GLN A 42 6.881 13.961 -0.329 1.00 0.00 N ATOM 613 CA GLN A 42 8.047 13.370 0.317 1.00 0.00 C ATOM 614 C GLN A 42 8.177 11.893 -0.042 1.00 0.00 C ATOM 615 O GLN A 42 9.267 11.414 -0.357 1.00 0.00 O ATOM 616 CB GLN A 42 7.953 13.531 1.835 1.00 0.00 C ATOM 617 CG GLN A 42 7.390 14.875 2.270 1.00 0.00 C ATOM 618 CD GLN A 42 8.312 16.030 1.934 1.00 0.00 C ATOM 619 OE1 GLN A 42 8.539 16.251 0.644 1.00 0.00 O flip ATOM 620 NE2 GLN A 42 8.815 16.717 2.824 1.00 0.00 N flip ATOM 0 H GLN A 42 6.094 14.134 0.297 1.00 0.00 H new ATOM 0 HA GLN A 42 8.934 13.893 -0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.326 12.736 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.945 13.405 2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.425 15.033 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.211 14.859 3.345 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.613 16.512 3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.433 17.491 2.583 1.00 0.00 H new ATOM 629 N LEU A 43 7.060 11.176 0.009 1.00 0.00 N ATOM 630 CA LEU A 43 7.049 9.753 -0.311 1.00 0.00 C ATOM 631 C LEU A 43 7.078 9.534 -1.820 1.00 0.00 C ATOM 632 O LEU A 43 7.384 8.439 -2.291 1.00 0.00 O ATOM 633 CB LEU A 43 5.810 9.085 0.289 1.00 0.00 C ATOM 634 CG LEU A 43 5.745 7.562 0.171 1.00 0.00 C ATOM 635 CD1 LEU A 43 6.815 6.914 1.035 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.363 7.056 0.559 1.00 0.00 C ATOM 0 H LEU A 43 6.150 11.557 0.269 1.00 0.00 H new ATOM 0 HA LEU A 43 7.943 9.302 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.754 9.350 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.927 9.505 -0.192 1.00 0.00 H new ATOM 0 HG LEU A 43 5.931 7.288 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.754 5.830 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.799 7.252 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.661 7.195 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.335 5.970 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.147 7.341 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.616 7.494 -0.103 1.00 0.00 H new ATOM 648 N GLU A 44 6.760 10.583 -2.572 1.00 0.00 N ATOM 649 CA GLU A 44 6.752 10.504 -4.028 1.00 0.00 C ATOM 650 C GLU A 44 7.963 9.729 -4.538 1.00 0.00 C ATOM 651 O GLU A 44 7.839 8.688 -5.183 1.00 0.00 O ATOM 652 CB GLU A 44 6.737 11.908 -4.637 1.00 0.00 C ATOM 653 CG GLU A 44 5.340 12.446 -4.893 1.00 0.00 C ATOM 654 CD GLU A 44 4.427 11.417 -5.532 1.00 0.00 C ATOM 655 OE1 GLU A 44 4.642 11.086 -6.717 1.00 0.00 O ATOM 656 OE2 GLU A 44 3.496 10.944 -4.847 1.00 0.00 O ATOM 0 H GLU A 44 6.505 11.497 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 44 5.849 9.974 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.263 12.590 -3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.289 11.893 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.904 12.778 -3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.404 13.321 -5.540 1.00 0.00 H new ATOM 663 N PRO A 45 9.164 10.248 -4.243 1.00 0.00 N ATOM 664 CA PRO A 45 10.422 9.622 -4.661 1.00 0.00 C ATOM 665 C PRO A 45 10.695 8.318 -3.920 1.00 0.00 C ATOM 666 O PRO A 45 11.189 7.353 -4.504 1.00 0.00 O ATOM 667 CB PRO A 45 11.477 10.671 -4.303 1.00 0.00 C ATOM 668 CG PRO A 45 10.864 11.463 -3.199 1.00 0.00 C ATOM 669 CD PRO A 45 9.387 11.486 -3.477 1.00 0.00 C ATOM 0 HA PRO A 45 10.411 9.352 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.409 10.203 -3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.714 11.303 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.072 11.008 -2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.272 12.474 -3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.805 11.499 -2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.099 12.369 -4.048 1.00 0.00 H new ATOM 677 N ILE A 46 10.370 8.296 -2.631 1.00 0.00 N ATOM 678 CA ILE A 46 10.579 7.109 -1.812 1.00 0.00 C ATOM 679 C ILE A 46 9.823 5.911 -2.376 1.00 0.00 C ATOM 680 O ILE A 46 10.300 4.777 -2.314 1.00 0.00 O ATOM 681 CB ILE A 46 10.133 7.344 -0.356 1.00 0.00 C ATOM 682 CG1 ILE A 46 10.920 8.503 0.260 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.316 6.076 0.465 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.219 9.153 1.432 1.00 0.00 C ATOM 0 H ILE A 46 9.961 9.086 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 46 11.649 6.900 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 46 9.075 7.606 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.894 8.138 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.103 9.256 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.997 6.258 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.716 5.274 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.367 5.786 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.834 9.966 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.257 9.549 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.060 8.413 2.217 1.00 0.00 H new ATOM 696 N TYR A 47 8.642 6.170 -2.927 1.00 0.00 N ATOM 697 CA TYR A 47 7.819 5.113 -3.502 1.00 0.00 C ATOM 698 C TYR A 47 8.320 4.726 -4.890 1.00 0.00 C ATOM 699 O TYR A 47 8.276 3.558 -5.277 1.00 0.00 O ATOM 700 CB TYR A 47 6.358 5.561 -3.581 1.00 0.00 C ATOM 701 CG TYR A 47 5.370 4.420 -3.508 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.370 3.542 -2.431 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.433 4.220 -4.515 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.469 2.497 -2.360 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.528 3.179 -4.452 1.00 0.00 C ATOM 706 CZ TYR A 47 3.550 2.320 -3.373 1.00 0.00 C ATOM 707 OH TYR A 47 2.650 1.281 -3.306 1.00 0.00 O ATOM 0 H TYR A 47 8.234 7.103 -2.987 1.00 0.00 H new ATOM 0 HA TYR A 47 7.890 4.240 -2.854 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.156 6.258 -2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.204 6.105 -4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.087 3.679 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.412 4.890 -5.361 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.484 1.823 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.807 3.038 -5.243 1.00 0.00 H new ATOM 0 HH TYR A 47 2.216 1.168 -4.177 1.00 0.00 H new ATOM 717 N THR A 48 8.798 5.717 -5.637 1.00 0.00 N ATOM 718 CA THR A 48 9.307 5.483 -6.982 1.00 0.00 C ATOM 719 C THR A 48 10.305 4.330 -6.999 1.00 0.00 C ATOM 720 O THR A 48 10.078 3.311 -7.651 1.00 0.00 O ATOM 721 CB THR A 48 9.986 6.743 -7.552 1.00 0.00 C ATOM 722 OG1 THR A 48 8.994 7.693 -7.957 1.00 0.00 O ATOM 723 CG2 THR A 48 10.872 6.390 -8.738 1.00 0.00 C ATOM 0 H THR A 48 8.843 6.689 -5.332 1.00 0.00 H new ATOM 0 HA THR A 48 8.450 5.227 -7.605 1.00 0.00 H new ATOM 0 HB THR A 48 10.608 7.179 -6.771 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.561 8.072 -7.164 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.341 7.295 -9.124 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.644 5.689 -8.420 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.267 5.933 -9.521 1.00 0.00 H new ATOM 731 N SER A 49 11.409 4.498 -6.279 1.00 0.00 N ATOM 732 CA SER A 49 12.443 3.472 -6.214 1.00 0.00 C ATOM 733 C SER A 49 11.891 2.182 -5.616 1.00 0.00 C ATOM 734 O SER A 49 12.297 1.083 -5.996 1.00 0.00 O ATOM 735 CB SER A 49 13.630 3.965 -5.385 1.00 0.00 C ATOM 736 OG SER A 49 14.462 4.824 -6.146 1.00 0.00 O ATOM 0 H SER A 49 11.611 5.335 -5.732 1.00 0.00 H new ATOM 0 HA SER A 49 12.780 3.266 -7.230 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.267 4.493 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.209 3.112 -5.031 1.00 0.00 H new ATOM 0 HG SER A 49 15.212 5.127 -5.593 1.00 0.00 H new ATOM 742 N LEU A 50 10.962 2.323 -4.676 1.00 0.00 N ATOM 743 CA LEU A 50 10.353 1.169 -4.023 1.00 0.00 C ATOM 744 C LEU A 50 9.642 0.281 -5.039 1.00 0.00 C ATOM 745 O LEU A 50 9.463 -0.915 -4.816 1.00 0.00 O ATOM 746 CB LEU A 50 9.364 1.629 -2.950 1.00 0.00 C ATOM 747 CG LEU A 50 8.837 0.542 -2.013 1.00 0.00 C ATOM 748 CD1 LEU A 50 9.887 0.178 -0.975 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.552 0.997 -1.338 1.00 0.00 C ATOM 0 H LEU A 50 10.614 3.225 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 50 11.146 0.588 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.845 2.399 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.513 2.098 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 50 8.617 -0.347 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.495 -0.597 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.782 -0.191 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.138 1.061 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.191 0.211 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.745 1.900 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.797 1.207 -2.096 1.00 0.00 H new ATOM 761 N GLY A 51 9.240 0.876 -6.158 1.00 0.00 N ATOM 762 CA GLY A 51 8.555 0.123 -7.193 1.00 0.00 C ATOM 763 C GLY A 51 9.503 -0.399 -8.254 1.00 0.00 C ATOM 764 O GLY A 51 9.568 -1.604 -8.500 1.00 0.00 O ATOM 0 H GLY A 51 9.376 1.865 -6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.026 -0.715 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.803 0.758 -7.662 1.00 0.00 H new ATOM 768 N LYS A 52 10.240 0.508 -8.886 1.00 0.00 N ATOM 769 CA LYS A 52 11.189 0.133 -9.927 1.00 0.00 C ATOM 770 C LYS A 52 12.143 -0.949 -9.429 1.00 0.00 C ATOM 771 O LYS A 52 12.572 -1.812 -10.195 1.00 0.00 O ATOM 772 CB LYS A 52 11.985 1.358 -10.385 1.00 0.00 C ATOM 773 CG LYS A 52 13.224 1.626 -9.548 1.00 0.00 C ATOM 774 CD LYS A 52 13.928 2.898 -9.987 1.00 0.00 C ATOM 775 CE LYS A 52 14.623 2.717 -11.328 1.00 0.00 C ATOM 776 NZ LYS A 52 15.998 2.167 -11.170 1.00 0.00 N ATOM 0 H LYS A 52 10.198 1.509 -8.695 1.00 0.00 H new ATOM 0 HA LYS A 52 10.626 -0.264 -10.772 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.282 1.220 -11.425 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.338 2.235 -10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.944 1.708 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.909 0.783 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.204 3.710 -10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.660 3.189 -9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.034 2.048 -11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.672 3.676 -11.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.438 2.058 -12.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.568 2.818 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.949 1.240 -10.701 1.00 0.00 H new ATOM 790 N LYS A 53 12.469 -0.898 -8.142 1.00 0.00 N ATOM 791 CA LYS A 53 13.369 -1.875 -7.541 1.00 0.00 C ATOM 792 C LYS A 53 12.670 -3.218 -7.357 1.00 0.00 C ATOM 793 O LYS A 53 13.229 -4.268 -7.671 1.00 0.00 O ATOM 794 CB LYS A 53 13.881 -1.365 -6.192 1.00 0.00 C ATOM 795 CG LYS A 53 12.950 -1.672 -5.033 1.00 0.00 C ATOM 796 CD LYS A 53 13.432 -1.026 -3.744 1.00 0.00 C ATOM 797 CE LYS A 53 14.927 -1.221 -3.549 1.00 0.00 C ATOM 798 NZ LYS A 53 15.332 -1.020 -2.130 1.00 0.00 N ATOM 0 H LYS A 53 12.123 -0.190 -7.495 1.00 0.00 H new ATOM 0 HA LYS A 53 14.215 -2.015 -8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.856 -1.809 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.028 -0.287 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.947 -1.315 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.881 -2.751 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.202 0.039 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.895 -1.454 -2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.207 -2.225 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.470 -0.522 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.358 -1.162 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.088 -0.054 -1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.833 -1.704 -1.526 1.00 0.00 H new ATOM 812 N TYR A 54 11.444 -3.176 -6.847 1.00 0.00 N ATOM 813 CA TYR A 54 10.669 -4.390 -6.620 1.00 0.00 C ATOM 814 C TYR A 54 9.968 -4.836 -7.900 1.00 0.00 C ATOM 815 O TYR A 54 9.272 -5.851 -7.920 1.00 0.00 O ATOM 816 CB TYR A 54 9.637 -4.162 -5.513 1.00 0.00 C ATOM 817 CG TYR A 54 10.188 -4.368 -4.121 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.835 -3.339 -3.448 1.00 0.00 C ATOM 819 CD2 TYR A 54 10.062 -5.593 -3.477 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.340 -3.524 -2.176 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.563 -5.787 -2.204 1.00 0.00 C ATOM 822 CZ TYR A 54 11.202 -4.749 -1.558 1.00 0.00 C ATOM 823 OH TYR A 54 11.703 -4.936 -0.290 1.00 0.00 O ATOM 0 H TYR A 54 10.966 -2.315 -6.583 1.00 0.00 H new ATOM 0 HA TYR A 54 11.357 -5.177 -6.310 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.248 -3.147 -5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.797 -4.839 -5.666 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.945 -2.378 -3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.564 -6.408 -3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.841 -2.713 -1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.455 -6.745 -1.718 1.00 0.00 H new ATOM 0 HH TYR A 54 11.001 -4.754 0.369 1.00 0.00 H new ATOM 833 N LYS A 55 10.157 -4.069 -8.968 1.00 0.00 N ATOM 834 CA LYS A 55 9.546 -4.383 -10.254 1.00 0.00 C ATOM 835 C LYS A 55 10.100 -5.689 -10.815 1.00 0.00 C ATOM 836 O LYS A 55 9.475 -6.328 -11.660 1.00 0.00 O ATOM 837 CB LYS A 55 9.788 -3.246 -11.249 1.00 0.00 C ATOM 838 CG LYS A 55 11.164 -3.283 -11.892 1.00 0.00 C ATOM 839 CD LYS A 55 11.155 -4.088 -13.181 1.00 0.00 C ATOM 840 CE LYS A 55 10.800 -3.220 -14.378 1.00 0.00 C ATOM 841 NZ LYS A 55 12.009 -2.609 -14.998 1.00 0.00 N ATOM 0 H LYS A 55 10.729 -3.225 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 55 8.473 -4.500 -10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.030 -3.291 -12.031 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.661 -2.293 -10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.497 -2.266 -12.099 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.881 -3.718 -11.195 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.135 -4.540 -13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.437 -4.904 -13.096 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.276 -3.822 -15.120 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.115 -2.432 -14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.725 -2.025 -15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.496 -2.014 -14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.652 -3.361 -15.320 1.00 0.00 H new ATOM 855 N GLY A 56 11.277 -6.082 -10.336 1.00 0.00 N ATOM 856 CA GLY A 56 11.894 -7.311 -10.800 1.00 0.00 C ATOM 857 C GLY A 56 11.512 -8.508 -9.953 1.00 0.00 C ATOM 858 O GLY A 56 12.206 -9.523 -9.954 1.00 0.00 O ATOM 0 H GLY A 56 11.814 -5.571 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.601 -7.493 -11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.978 -7.195 -10.792 1.00 0.00 H new ATOM 862 N GLN A 57 10.405 -8.387 -9.227 1.00 0.00 N ATOM 863 CA GLN A 57 9.933 -9.468 -8.369 1.00 0.00 C ATOM 864 C GLN A 57 8.932 -10.351 -9.107 1.00 0.00 C ATOM 865 O GLN A 57 8.506 -10.032 -10.217 1.00 0.00 O ATOM 866 CB GLN A 57 9.292 -8.899 -7.102 1.00 0.00 C ATOM 867 CG GLN A 57 10.281 -8.665 -5.972 1.00 0.00 C ATOM 868 CD GLN A 57 10.511 -9.906 -5.132 1.00 0.00 C ATOM 869 OE1 GLN A 57 11.235 -10.817 -5.535 1.00 0.00 O ATOM 870 NE2 GLN A 57 9.895 -9.948 -3.956 1.00 0.00 N ATOM 0 H GLN A 57 9.819 -7.552 -9.216 1.00 0.00 H new ATOM 0 HA GLN A 57 10.792 -10.078 -8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.801 -7.957 -7.345 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.516 -9.583 -6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.231 -8.332 -6.389 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.914 -7.861 -5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.304 -9.170 -3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.013 -10.758 -3.347 1.00 0.00 H new ATOM 879 N LYS A 58 8.561 -11.464 -8.484 1.00 0.00 N ATOM 880 CA LYS A 58 7.610 -12.395 -9.080 1.00 0.00 C ATOM 881 C LYS A 58 6.206 -12.164 -8.530 1.00 0.00 C ATOM 882 O LYS A 58 5.985 -12.225 -7.320 1.00 0.00 O ATOM 883 CB LYS A 58 8.042 -13.839 -8.814 1.00 0.00 C ATOM 884 CG LYS A 58 7.547 -14.824 -9.858 1.00 0.00 C ATOM 885 CD LYS A 58 8.504 -14.917 -11.035 1.00 0.00 C ATOM 886 CE LYS A 58 9.485 -16.068 -10.865 1.00 0.00 C ATOM 887 NZ LYS A 58 10.741 -15.632 -10.195 1.00 0.00 N ATOM 0 H LYS A 58 8.905 -11.744 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 58 7.594 -12.220 -10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.130 -13.882 -8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.674 -14.145 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.430 -15.808 -9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.563 -14.517 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.938 -15.053 -11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.053 -13.981 -11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.018 -16.860 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.722 -16.490 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.463 -16.375 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.084 -14.755 -10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.555 -15.461 -9.186 1.00 0.00 H new ATOM 901 N ASP A 59 5.261 -11.900 -9.426 1.00 0.00 N ATOM 902 CA ASP A 59 3.877 -11.663 -9.030 1.00 0.00 C ATOM 903 C ASP A 59 3.788 -10.521 -8.023 1.00 0.00 C ATOM 904 O ASP A 59 3.076 -10.616 -7.022 1.00 0.00 O ATOM 905 CB ASP A 59 3.270 -12.934 -8.434 1.00 0.00 C ATOM 906 CG ASP A 59 4.000 -14.187 -8.875 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.187 -14.367 -10.097 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.387 -14.987 -7.998 1.00 0.00 O ATOM 0 H ASP A 59 5.428 -11.845 -10.431 1.00 0.00 H new ATOM 0 HA ASP A 59 3.313 -11.383 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.292 -12.868 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.223 -13.005 -8.728 1.00 0.00 H new ATOM 913 N LEU A 60 4.516 -9.443 -8.293 1.00 0.00 N ATOM 914 CA LEU A 60 4.521 -8.282 -7.409 1.00 0.00 C ATOM 915 C LEU A 60 4.602 -6.988 -8.212 1.00 0.00 C ATOM 916 O LEU A 60 5.573 -6.751 -8.932 1.00 0.00 O ATOM 917 CB LEU A 60 5.695 -8.365 -6.432 1.00 0.00 C ATOM 918 CG LEU A 60 5.632 -7.425 -5.227 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.777 -8.029 -4.124 1.00 0.00 C ATOM 920 CD2 LEU A 60 7.032 -7.123 -4.714 1.00 0.00 C ATOM 0 H LEU A 60 5.110 -9.348 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 60 3.588 -8.280 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.765 -9.389 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.614 -8.159 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 60 5.172 -6.489 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.743 -7.347 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.766 -8.195 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.208 -8.979 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.969 -6.453 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.518 -8.051 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.614 -6.648 -5.504 1.00 0.00 H new ATOM 932 N VAL A 61 3.578 -6.151 -8.081 1.00 0.00 N ATOM 933 CA VAL A 61 3.535 -4.878 -8.792 1.00 0.00 C ATOM 934 C VAL A 61 3.094 -3.748 -7.868 1.00 0.00 C ATOM 935 O VAL A 61 1.936 -3.687 -7.454 1.00 0.00 O ATOM 936 CB VAL A 61 2.581 -4.941 -9.999 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.705 -3.682 -10.844 1.00 0.00 C ATOM 938 CG2 VAL A 61 2.860 -6.183 -10.833 1.00 0.00 C ATOM 0 H VAL A 61 2.767 -6.331 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 61 4.546 -4.680 -9.148 1.00 0.00 H new ATOM 0 HB VAL A 61 1.557 -5.002 -9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.023 -3.745 -11.692 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.452 -2.811 -10.239 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.728 -3.587 -11.207 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.177 -6.212 -11.682 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.888 -6.155 -11.195 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.715 -7.073 -10.220 1.00 0.00 H new ATOM 948 N ILE A 62 4.025 -2.855 -7.549 1.00 0.00 N ATOM 949 CA ILE A 62 3.731 -1.725 -6.676 1.00 0.00 C ATOM 950 C ILE A 62 3.023 -0.611 -7.438 1.00 0.00 C ATOM 951 O ILE A 62 3.647 0.130 -8.198 1.00 0.00 O ATOM 952 CB ILE A 62 5.013 -1.160 -6.037 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.521 -2.100 -4.941 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.756 0.229 -5.472 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.774 -1.607 -4.253 1.00 0.00 C ATOM 0 H ILE A 62 4.989 -2.892 -7.882 1.00 0.00 H new ATOM 0 HA ILE A 62 3.075 -2.097 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 62 5.780 -1.082 -6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.736 -2.234 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.717 -3.080 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.672 0.615 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.436 0.895 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.976 0.174 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.075 -2.323 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.574 -1.500 -4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.577 -0.641 -3.787 1.00 0.00 H new ATOM 967 N ALA A 63 1.715 -0.496 -7.228 1.00 0.00 N ATOM 968 CA ALA A 63 0.922 0.531 -7.892 1.00 0.00 C ATOM 969 C ALA A 63 0.336 1.511 -6.881 1.00 0.00 C ATOM 970 O ALA A 63 0.307 1.238 -5.681 1.00 0.00 O ATOM 971 CB ALA A 63 -0.187 -0.108 -8.714 1.00 0.00 C ATOM 0 H ALA A 63 1.183 -1.102 -6.603 1.00 0.00 H new ATOM 0 HA ALA A 63 1.579 1.088 -8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.771 0.671 -9.204 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.250 -0.763 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.836 -0.690 -8.060 1.00 0.00 H new ATOM 977 N LYS A 64 -0.129 2.654 -7.374 1.00 0.00 N ATOM 978 CA LYS A 64 -0.714 3.676 -6.514 1.00 0.00 C ATOM 979 C LYS A 64 -2.046 4.162 -7.077 1.00 0.00 C ATOM 980 O LYS A 64 -2.351 3.945 -8.250 1.00 0.00 O ATOM 981 CB LYS A 64 0.248 4.856 -6.361 1.00 0.00 C ATOM 982 CG LYS A 64 0.580 5.545 -7.673 1.00 0.00 C ATOM 983 CD LYS A 64 1.502 6.734 -7.462 1.00 0.00 C ATOM 984 CE LYS A 64 2.055 7.252 -8.780 1.00 0.00 C ATOM 985 NZ LYS A 64 3.114 8.278 -8.573 1.00 0.00 N ATOM 0 H LYS A 64 -0.112 2.896 -8.365 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.893 3.232 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.190 5.584 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.172 4.504 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.053 4.833 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.340 5.878 -8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.958 7.532 -6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.326 6.445 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.463 6.420 -9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.245 7.680 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.465 8.606 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.719 9.083 -8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.899 7.862 -8.032 1.00 0.00 H new ATOM 999 N MET A 65 -2.834 4.822 -6.235 1.00 0.00 N ATOM 1000 CA MET A 65 -4.132 5.342 -6.650 1.00 0.00 C ATOM 1001 C MET A 65 -4.538 6.537 -5.795 1.00 0.00 C ATOM 1002 O MET A 65 -4.147 6.641 -4.632 1.00 0.00 O ATOM 1003 CB MET A 65 -5.197 4.247 -6.557 1.00 0.00 C ATOM 1004 CG MET A 65 -6.600 4.736 -6.878 1.00 0.00 C ATOM 1005 SD MET A 65 -7.490 5.300 -5.415 1.00 0.00 S ATOM 1006 CE MET A 65 -8.908 4.206 -5.439 1.00 0.00 C ATOM 0 H MET A 65 -2.597 5.010 -5.261 1.00 0.00 H new ATOM 0 HA MET A 65 -4.049 5.671 -7.686 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.937 3.439 -7.241 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.188 3.828 -5.551 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.540 5.551 -7.599 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.162 3.931 -7.352 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.760 4.705 -4.978 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.152 3.949 -6.470 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.676 3.297 -4.884 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.323 7.436 -6.377 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.783 8.624 -5.667 1.00 0.00 C ATOM 1018 C ASP A 66 -7.142 8.378 -5.019 1.00 0.00 C ATOM 1019 O ASP A 66 -8.159 8.279 -5.704 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.869 9.815 -6.624 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.678 9.893 -7.558 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.284 8.843 -8.106 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -4.140 11.005 -7.742 1.00 0.00 O ATOM 0 H ASP A 66 -5.655 7.365 -7.339 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.062 8.850 -4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.784 9.740 -7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.936 10.737 -6.047 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.150 8.279 -3.693 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.384 8.045 -2.953 1.00 0.00 C ATOM 1030 C ALA A 67 -9.233 9.310 -2.886 1.00 0.00 C ATOM 1031 O ALA A 67 -10.418 9.259 -2.555 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.070 7.543 -1.551 1.00 0.00 C ATOM 0 H ALA A 67 -6.317 8.357 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.957 7.283 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.000 7.372 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.511 6.610 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.474 8.287 -1.023 1.00 0.00 H new ATOM 1038 N THR A 68 -8.619 10.446 -3.203 1.00 0.00 N ATOM 1039 CA THR A 68 -9.318 11.725 -3.177 1.00 0.00 C ATOM 1040 C THR A 68 -10.198 11.895 -4.410 1.00 0.00 C ATOM 1041 O THR A 68 -10.986 12.837 -4.497 1.00 0.00 O ATOM 1042 CB THR A 68 -8.329 12.904 -3.100 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.896 13.267 -4.415 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.124 12.544 -2.244 1.00 0.00 C ATOM 0 H THR A 68 -7.639 10.506 -3.481 1.00 0.00 H new ATOM 0 HA THR A 68 -9.943 11.726 -2.284 1.00 0.00 H new ATOM 0 HB THR A 68 -8.841 13.750 -2.641 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.269 14.018 -4.357 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.440 13.392 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.455 12.297 -1.235 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.613 11.685 -2.678 1.00 0.00 H new ATOM 1052 N ALA A 69 -10.060 10.977 -5.361 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.845 11.025 -6.588 1.00 0.00 C ATOM 1054 C ALA A 69 -11.582 9.710 -6.820 1.00 0.00 C ATOM 1055 O ALA A 69 -12.749 9.702 -7.208 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.950 11.347 -7.776 1.00 0.00 C ATOM 0 H ALA A 69 -9.412 10.191 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.589 11.815 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.550 11.380 -8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.474 12.315 -7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.184 10.577 -7.874 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.892 8.600 -6.579 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.481 7.279 -6.763 1.00 0.00 C ATOM 1064 C ASN A 70 -12.058 6.753 -5.452 1.00 0.00 C ATOM 1065 O ASN A 70 -11.341 6.600 -4.464 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.434 6.301 -7.300 1.00 0.00 C ATOM 1067 CG ASN A 70 -9.845 6.753 -8.623 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.530 6.770 -9.646 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.570 7.121 -8.607 1.00 0.00 N ATOM 0 H ASN A 70 -9.925 8.589 -6.256 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.291 7.368 -7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.634 6.191 -6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.889 5.318 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.119 7.434 -9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.041 7.091 -7.735 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.358 6.479 -5.453 1.00 0.00 N ATOM 1077 CA ASP A 71 -14.033 5.970 -4.265 1.00 0.00 C ATOM 1078 C ASP A 71 -13.675 4.507 -4.022 1.00 0.00 C ATOM 1079 O ASP A 71 -13.761 3.678 -4.929 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.548 6.120 -4.408 1.00 0.00 C ATOM 1081 CG ASP A 71 -16.238 6.327 -3.074 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -16.081 7.419 -2.488 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.935 5.398 -2.617 1.00 0.00 O ATOM 0 H ASP A 71 -13.965 6.601 -6.263 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.698 6.555 -3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.766 6.965 -5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.954 5.231 -4.890 1.00 0.00 H new ATOM 1088 N ILE A 72 -13.273 4.197 -2.795 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.902 2.834 -2.434 1.00 0.00 C ATOM 1090 C ILE A 72 -14.087 2.081 -1.839 1.00 0.00 C ATOM 1091 O ILE A 72 -14.230 1.989 -0.619 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.738 2.815 -1.426 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.558 3.630 -1.961 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.311 1.384 -1.136 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.534 3.976 -0.903 1.00 0.00 C ATOM 0 H ILE A 72 -13.196 4.871 -2.033 1.00 0.00 H new ATOM 0 HA ILE A 72 -12.584 2.340 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.077 3.268 -0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.070 3.068 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.935 4.551 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.487 1.388 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.152 0.831 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.987 0.906 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.727 4.554 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.007 4.565 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.129 3.059 -0.475 1.00 0.00 H new ATOM 1107 N THR A 73 -14.935 1.541 -2.708 1.00 0.00 N ATOM 1108 CA THR A 73 -16.108 0.795 -2.269 1.00 0.00 C ATOM 1109 C THR A 73 -15.731 -0.270 -1.246 1.00 0.00 C ATOM 1110 O THR A 73 -16.529 -0.619 -0.377 1.00 0.00 O ATOM 1111 CB THR A 73 -16.821 0.121 -3.456 1.00 0.00 C ATOM 1112 OG1 THR A 73 -15.918 -0.759 -4.135 1.00 0.00 O ATOM 1113 CG2 THR A 73 -17.352 1.161 -4.431 1.00 0.00 C ATOM 0 H THR A 73 -14.832 1.606 -3.721 1.00 0.00 H new ATOM 0 HA THR A 73 -16.786 1.514 -1.808 1.00 0.00 H new ATOM 0 HB THR A 73 -17.663 -0.452 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.380 -1.185 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.851 0.660 -5.261 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.062 1.811 -3.919 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.524 1.758 -4.813 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.510 -0.783 -1.355 1.00 0.00 N ATOM 1122 CA ASN A 74 -14.027 -1.809 -0.438 1.00 0.00 C ATOM 1123 C ASN A 74 -14.055 -1.308 1.003 1.00 0.00 C ATOM 1124 O ASN A 74 -13.494 -0.258 1.316 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.605 -2.232 -0.815 1.00 0.00 C ATOM 1126 CG ASN A 74 -12.587 -3.368 -1.819 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -11.515 -4.151 -1.807 1.00 0.00 O flip ATOM 1128 ND2 ASN A 74 -13.527 -3.540 -2.596 1.00 0.00 N flip ATOM 0 H ASN A 74 -13.837 -0.505 -2.069 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.689 -2.672 -0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.072 -1.376 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.069 -2.537 0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.331 -2.913 -2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.501 -4.309 -3.265 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.711 -2.066 1.874 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.811 -1.701 3.282 1.00 0.00 C ATOM 1137 C ASP A 75 -13.604 -2.212 4.064 1.00 0.00 C ATOM 1138 O ASP A 75 -13.612 -2.228 5.294 1.00 0.00 O ATOM 1139 CB ASP A 75 -16.100 -2.261 3.886 1.00 0.00 C ATOM 1140 CG ASP A 75 -16.591 -1.442 5.063 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -17.197 -0.374 4.832 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -16.371 -1.868 6.216 1.00 0.00 O ATOM 0 H ASP A 75 -15.182 -2.937 1.630 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.830 -0.613 3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.874 -2.290 3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.931 -3.289 4.208 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.571 -2.629 3.340 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.358 -3.143 3.966 1.00 0.00 C ATOM 1149 C GLN A 76 -10.249 -2.097 3.943 1.00 0.00 C ATOM 1150 O GLN A 76 -9.449 -2.005 4.874 1.00 0.00 O ATOM 1151 CB GLN A 76 -10.891 -4.415 3.255 1.00 0.00 C ATOM 1152 CG GLN A 76 -12.023 -5.368 2.908 1.00 0.00 C ATOM 1153 CD GLN A 76 -12.652 -6.000 4.134 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -12.993 -5.310 5.096 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.808 -7.318 4.107 1.00 0.00 N ATOM 0 H GLN A 76 -12.549 -2.621 2.320 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.588 -3.380 5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.367 -4.138 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.172 -4.933 3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.788 -4.829 2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.644 -6.153 2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.511 -7.850 3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -13.225 -7.799 4.904 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.207 -1.310 2.873 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.193 -0.272 2.728 1.00 0.00 C ATOM 1166 C TYR A 77 -9.769 1.102 3.058 1.00 0.00 C ATOM 1167 O TYR A 77 -10.605 1.631 2.325 1.00 0.00 O ATOM 1168 CB TYR A 77 -8.632 -0.273 1.305 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.040 -1.601 0.889 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -8.828 -2.742 0.813 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -6.692 -1.713 0.570 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.291 -3.957 0.434 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.146 -2.923 0.189 1.00 0.00 C ATOM 1174 CZ TYR A 77 -6.950 -4.043 0.123 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.411 -5.251 -0.257 1.00 0.00 O ATOM 0 H TYR A 77 -10.863 -1.371 2.094 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.387 -0.487 3.430 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.427 -0.005 0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.866 0.498 1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.879 -2.678 1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.060 -0.838 0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.918 -4.835 0.381 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.096 -2.992 -0.056 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.130 -5.906 -0.378 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.315 1.675 4.168 1.00 0.00 N ATOM 1186 CA LYS A 78 -9.782 2.988 4.597 1.00 0.00 C ATOM 1187 C LYS A 78 -8.638 3.997 4.601 1.00 0.00 C ATOM 1188 O LYS A 78 -7.558 3.725 5.126 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.403 2.900 5.993 1.00 0.00 C ATOM 1190 CG LYS A 78 -11.894 2.611 5.978 1.00 0.00 C ATOM 1191 CD LYS A 78 -12.487 2.667 7.376 1.00 0.00 C ATOM 1192 CE LYS A 78 -13.942 3.109 7.347 1.00 0.00 C ATOM 1193 NZ LYS A 78 -14.717 2.542 8.484 1.00 0.00 N ATOM 0 H LYS A 78 -8.624 1.250 4.787 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.539 3.326 3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.896 2.119 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.229 3.839 6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.399 3.334 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.070 1.626 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.413 1.685 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.908 3.357 7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.992 4.197 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.397 2.798 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.703 2.867 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.691 1.503 8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.299 2.859 9.382 1.00 0.00 H new ATOM 1207 N VAL A 79 -8.883 5.164 4.013 1.00 0.00 N ATOM 1208 CA VAL A 79 -7.874 6.215 3.951 1.00 0.00 C ATOM 1209 C VAL A 79 -8.206 7.353 4.911 1.00 0.00 C ATOM 1210 O VAL A 79 -8.955 8.268 4.568 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.742 6.783 2.526 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.762 7.946 2.503 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.310 5.693 1.557 1.00 0.00 C ATOM 0 H VAL A 79 -9.771 5.405 3.573 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.927 5.762 4.243 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.717 7.154 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.682 8.334 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.118 8.735 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.783 7.604 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.222 6.112 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.346 5.290 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.052 4.895 1.553 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.644 7.289 6.114 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.882 8.314 7.123 1.00 0.00 C ATOM 1225 C GLU A 80 -6.803 9.392 7.067 1.00 0.00 C ATOM 1226 O GLU A 80 -7.005 10.512 7.535 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.921 7.688 8.519 1.00 0.00 C ATOM 1228 CG GLU A 80 -9.272 7.096 8.883 1.00 0.00 C ATOM 1229 CD GLU A 80 -10.187 8.102 9.554 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -10.928 8.804 8.834 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -10.162 8.186 10.800 1.00 0.00 O ATOM 0 H GLU A 80 -7.021 6.539 6.413 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.846 8.777 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.163 6.907 8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.656 8.446 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.753 6.717 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.125 6.245 9.547 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.656 9.045 6.491 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.563 9.993 6.384 1.00 0.00 C ATOM 1240 C GLY A 81 -3.501 9.545 5.400 1.00 0.00 C ATOM 1241 O GLY A 81 -3.106 8.379 5.389 1.00 0.00 O ATOM 0 H GLY A 81 -5.465 8.124 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.955 10.962 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.109 10.132 7.365 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.038 10.473 4.569 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.017 10.167 3.573 1.00 0.00 C ATOM 1247 C PHE A 82 -0.635 10.587 4.065 1.00 0.00 C ATOM 1248 O PHE A 82 -0.486 11.516 4.858 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.336 10.870 2.252 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.800 10.879 1.916 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -4.666 11.751 2.556 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.310 10.015 0.960 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.013 11.762 2.249 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.657 10.022 0.649 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.510 10.896 1.295 1.00 0.00 C ATOM 0 H PHE A 82 -3.353 11.443 4.565 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.014 9.089 3.411 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.976 11.898 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.790 10.379 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.284 12.430 3.304 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.648 9.329 0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.677 12.447 2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.042 9.345 -0.099 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.563 10.902 1.054 1.00 0.00 H new ATOM 1265 N PRO A 83 0.402 9.885 3.583 1.00 0.00 N ATOM 1266 CA PRO A 83 0.237 8.776 2.639 1.00 0.00 C ATOM 1267 C PRO A 83 -0.414 7.558 3.284 1.00 0.00 C ATOM 1268 O PRO A 83 -0.617 7.518 4.498 1.00 0.00 O ATOM 1269 CB PRO A 83 1.673 8.454 2.216 1.00 0.00 C ATOM 1270 CG PRO A 83 2.516 8.919 3.353 1.00 0.00 C ATOM 1271 CD PRO A 83 1.815 10.120 3.924 1.00 0.00 C ATOM 0 HA PRO A 83 -0.417 9.041 1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.803 7.387 2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.938 8.967 1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.624 8.137 4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.520 9.177 3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.961 10.196 5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.185 11.047 3.486 1.00 0.00 H new ATOM 1279 N THR A 84 -0.740 6.563 2.464 1.00 0.00 N ATOM 1280 CA THR A 84 -1.370 5.343 2.954 1.00 0.00 C ATOM 1281 C THR A 84 -1.033 4.154 2.061 1.00 0.00 C ATOM 1282 O THR A 84 -1.536 4.044 0.943 1.00 0.00 O ATOM 1283 CB THR A 84 -2.900 5.494 3.034 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.241 6.812 3.478 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.497 4.464 3.982 1.00 0.00 C ATOM 0 H THR A 84 -0.578 6.578 1.457 1.00 0.00 H new ATOM 0 HA THR A 84 -0.978 5.164 3.955 1.00 0.00 H new ATOM 0 HB THR A 84 -3.311 5.329 2.038 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.862 6.965 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.579 4.590 4.022 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.262 3.461 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.078 4.601 4.979 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.180 3.267 2.563 1.00 0.00 N ATOM 1294 CA ILE A 85 0.222 2.085 1.810 1.00 0.00 C ATOM 1295 C ILE A 85 -0.561 0.856 2.259 1.00 0.00 C ATOM 1296 O ILE A 85 -0.842 0.684 3.446 1.00 0.00 O ATOM 1297 CB ILE A 85 1.728 1.805 1.964 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.546 2.972 1.406 1.00 0.00 C ATOM 1299 CG2 ILE A 85 2.100 0.507 1.263 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.901 3.126 2.059 1.00 0.00 C ATOM 0 H ILE A 85 0.246 3.344 3.487 1.00 0.00 H new ATOM 0 HA ILE A 85 0.004 2.289 0.762 1.00 0.00 H new ATOM 0 HB ILE A 85 1.956 1.700 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.682 2.830 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.982 3.896 1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.168 0.323 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.539 -0.318 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.860 0.584 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.425 3.972 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.772 3.300 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.484 2.217 1.907 1.00 0.00 H new ATOM 1312 N TYR A 86 -0.910 0.002 1.303 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.661 -1.212 1.599 1.00 0.00 C ATOM 1314 C TYR A 86 -1.210 -2.363 0.705 1.00 0.00 C ATOM 1315 O TYR A 86 -1.100 -2.213 -0.512 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.160 -0.967 1.418 1.00 0.00 C ATOM 1317 CG TYR A 86 -3.858 -0.524 2.683 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.175 -1.437 3.682 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.202 0.808 2.881 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -4.814 -1.037 4.839 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -4.840 1.217 4.036 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.144 0.291 5.012 1.00 0.00 C ATOM 1323 OH TYR A 86 -5.780 0.695 6.163 1.00 0.00 O ATOM 0 H TYR A 86 -0.685 0.128 0.316 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.468 -1.485 2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.305 -0.209 0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.628 -1.882 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.917 -2.478 3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.966 1.536 2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.054 -1.760 5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.099 2.256 4.174 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.940 1.661 6.127 1.00 0.00 H new ATOM 1333 N PHE A 87 -0.952 -3.514 1.318 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.513 -4.692 0.579 1.00 0.00 C ATOM 1335 C PHE A 87 -1.662 -5.681 0.401 1.00 0.00 C ATOM 1336 O PHE A 87 -2.170 -6.240 1.372 1.00 0.00 O ATOM 1337 CB PHE A 87 0.651 -5.370 1.303 1.00 0.00 C ATOM 1338 CG PHE A 87 1.320 -6.442 0.491 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.642 -7.604 0.161 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.627 -6.287 0.058 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.254 -8.592 -0.587 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.245 -7.272 -0.690 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.558 -8.426 -1.012 1.00 0.00 C ATOM 0 H PHE A 87 -1.039 -3.656 2.324 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.179 -4.368 -0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.390 -4.615 1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.286 -5.805 2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.377 -7.740 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.169 -5.387 0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.714 -9.493 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.264 -7.139 -1.022 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.039 -9.197 -1.595 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.066 -5.891 -0.848 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.152 -6.812 -1.155 1.00 0.00 C ATOM 1355 C ALA A 88 -2.615 -8.136 -1.688 1.00 0.00 C ATOM 1356 O ALA A 88 -2.312 -8.279 -2.872 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.109 -6.186 -2.159 1.00 0.00 C ATOM 0 H ALA A 88 -1.657 -5.435 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.694 -7.015 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.915 -6.886 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.527 -5.270 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.571 -5.953 -3.078 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.494 -9.129 -0.794 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.993 -10.459 -1.152 1.00 0.00 C ATOM 1365 C PRO A 89 -2.974 -11.233 -2.025 1.00 0.00 C ATOM 1366 O PRO A 89 -4.131 -11.429 -1.652 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.822 -11.151 0.203 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.782 -10.457 1.105 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.837 -9.030 0.634 1.00 0.00 C ATOM 0 HA PRO A 89 -1.075 -10.404 -1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.042 -12.216 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.799 -11.060 0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.767 -10.921 1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.453 -10.513 2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.826 -8.596 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.130 -8.401 1.175 1.00 0.00 H new ATOM 1377 N SER A 90 -2.506 -11.672 -3.189 1.00 0.00 N ATOM 1378 CA SER A 90 -3.344 -12.422 -4.117 1.00 0.00 C ATOM 1379 C SER A 90 -3.994 -13.614 -3.421 1.00 0.00 C ATOM 1380 O SER A 90 -3.350 -14.634 -3.182 1.00 0.00 O ATOM 1381 CB SER A 90 -2.517 -12.903 -5.311 1.00 0.00 C ATOM 1382 OG SER A 90 -1.774 -14.064 -4.981 1.00 0.00 O ATOM 0 H SER A 90 -1.550 -11.521 -3.512 1.00 0.00 H new ATOM 0 HA SER A 90 -4.131 -11.758 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.177 -13.116 -6.152 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.839 -12.112 -5.630 1.00 0.00 H new ATOM 0 HG SER A 90 -1.960 -14.319 -4.053 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.276 -13.475 -3.096 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.992 -14.547 -2.430 1.00 0.00 C ATOM 1390 C GLY A 91 -6.562 -14.120 -1.092 1.00 0.00 C ATOM 1391 O GLY A 91 -7.731 -14.369 -0.799 1.00 0.00 O ATOM 0 H GLY A 91 -5.831 -12.640 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.802 -14.893 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.319 -15.392 -2.282 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.734 -13.476 -0.277 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.161 -13.013 1.038 1.00 0.00 C ATOM 1397 C ASP A 92 -6.376 -11.503 1.040 1.00 0.00 C ATOM 1398 O ASP A 92 -6.206 -10.842 2.065 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.126 -13.395 2.098 1.00 0.00 C ATOM 1400 CG ASP A 92 -5.684 -13.318 3.506 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -6.773 -13.879 3.745 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -5.030 -12.696 4.369 1.00 0.00 O ATOM 0 H ASP A 92 -4.763 -13.263 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.109 -13.497 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.770 -14.407 1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.264 -12.733 2.015 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.748 -10.962 -0.115 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.986 -9.530 -0.248 1.00 0.00 C ATOM 1409 C LYS A 93 -8.032 -9.056 0.756 1.00 0.00 C ATOM 1410 O LYS A 93 -7.996 -7.913 1.213 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.444 -9.198 -1.671 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.607 -9.864 -2.749 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.604 -9.051 -4.033 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.587 -9.587 -5.030 1.00 0.00 C ATOM 1415 NZ LYS A 93 -4.189 -9.342 -4.582 1.00 0.00 N ATOM 0 H LYS A 93 -6.891 -11.494 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.049 -9.012 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.484 -9.503 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.410 -8.118 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.584 -9.987 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.997 -10.862 -2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.598 -9.071 -4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.377 -8.009 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.742 -10.657 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.746 -9.115 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.544 -9.979 -5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.929 -8.355 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.115 -9.521 -3.560 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.961 -9.942 1.098 1.00 0.00 N ATOM 1430 CA LYS A 94 -10.015 -9.616 2.051 1.00 0.00 C ATOM 1431 C LYS A 94 -9.432 -8.994 3.316 1.00 0.00 C ATOM 1432 O LYS A 94 -10.143 -8.351 4.087 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.814 -10.872 2.409 1.00 0.00 C ATOM 1434 CG LYS A 94 -12.264 -10.591 2.763 1.00 0.00 C ATOM 1435 CD LYS A 94 -13.087 -10.270 1.527 1.00 0.00 C ATOM 1436 CE LYS A 94 -13.566 -11.535 0.832 1.00 0.00 C ATOM 1437 NZ LYS A 94 -14.544 -12.289 1.665 1.00 0.00 N ATOM 0 H LYS A 94 -9.005 -10.892 0.729 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.681 -8.890 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.782 -11.565 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.333 -11.370 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.690 -11.457 3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.314 -9.756 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.946 -9.661 1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.489 -9.677 0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.026 -11.274 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.711 -12.173 0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.128 -12.894 1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.033 -12.881 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.155 -11.619 2.174 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.134 -9.189 3.522 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.455 -8.646 4.693 1.00 0.00 C ATOM 1453 C ASN A 95 -6.285 -7.759 4.281 1.00 0.00 C ATOM 1454 O ASN A 95 -5.167 -8.226 4.059 1.00 0.00 O ATOM 1455 CB ASN A 95 -6.959 -9.780 5.592 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.037 -10.290 6.528 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -7.933 -10.152 7.747 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -9.080 -10.884 5.961 1.00 0.00 N ATOM 0 H ASN A 95 -7.531 -9.719 2.893 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.170 -8.038 5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.602 -10.602 4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.109 -9.430 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.837 -11.248 6.540 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.125 -10.977 4.946 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.545 -6.447 4.175 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.525 -5.467 3.791 1.00 0.00 C ATOM 1467 C PRO A 96 -4.471 -5.271 4.875 1.00 0.00 C ATOM 1468 O PRO A 96 -4.784 -5.273 6.065 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.329 -4.180 3.588 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.538 -4.350 4.442 1.00 0.00 C ATOM 1471 CD PRO A 96 -7.854 -5.821 4.425 1.00 0.00 C ATOM 0 HA PRO A 96 -4.969 -5.783 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.754 -3.303 3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.600 -4.043 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.350 -4.003 5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.374 -3.767 4.056 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.283 -6.151 5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.574 -6.069 3.645 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.222 -5.101 4.455 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.122 -4.902 5.391 1.00 0.00 C ATOM 1481 C ILE A 97 -1.556 -3.490 5.282 1.00 0.00 C ATOM 1482 O ILE A 97 -0.809 -3.178 4.355 1.00 0.00 O ATOM 1483 CB ILE A 97 -0.989 -5.917 5.152 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.530 -7.346 5.228 1.00 0.00 C ATOM 1485 CG2 ILE A 97 0.127 -5.713 6.166 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.722 -8.342 4.426 1.00 0.00 C ATOM 0 H ILE A 97 -2.946 -5.097 3.473 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.528 -5.052 6.391 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.581 -5.756 4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.551 -7.663 6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.560 -7.355 4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.921 -6.438 5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.528 -4.704 6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.267 -5.851 7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.163 -9.334 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.722 -8.049 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.303 -8.362 4.797 1.00 0.00 H new ATOM 1498 N LYS A 98 -1.917 -2.639 6.236 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.443 -1.260 6.251 1.00 0.00 C ATOM 1500 C LYS A 98 -0.040 -1.173 6.842 1.00 0.00 C ATOM 1501 O LYS A 98 0.277 -1.852 7.819 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.402 -0.378 7.055 1.00 0.00 C ATOM 1503 CG LYS A 98 -1.925 1.055 7.211 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.091 2.022 7.329 1.00 0.00 C ATOM 1505 CE LYS A 98 -2.618 3.428 7.663 1.00 0.00 C ATOM 1506 NZ LYS A 98 -3.662 4.208 8.384 1.00 0.00 N ATOM 0 H LYS A 98 -2.537 -2.880 7.009 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.407 -0.904 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.376 -0.376 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.542 -0.815 8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.294 1.135 8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.309 1.329 6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.648 2.037 6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.776 1.674 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.718 3.372 8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.346 3.948 6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.301 5.161 8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.512 4.283 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.903 3.726 9.273 1.00 0.00 H new ATOM 1520 N PHE A 99 0.798 -0.331 6.245 1.00 0.00 N ATOM 1521 CA PHE A 99 2.167 -0.155 6.713 1.00 0.00 C ATOM 1522 C PHE A 99 2.227 0.855 7.854 1.00 0.00 C ATOM 1523 O PHE A 99 2.127 2.062 7.634 1.00 0.00 O ATOM 1524 CB PHE A 99 3.066 0.304 5.563 1.00 0.00 C ATOM 1525 CG PHE A 99 4.335 0.965 6.021 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.459 0.210 6.314 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.403 2.343 6.159 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.628 0.815 6.736 1.00 0.00 C ATOM 1529 CE2 PHE A 99 5.569 2.953 6.579 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.682 2.189 6.869 1.00 0.00 C ATOM 0 H PHE A 99 0.552 0.240 5.436 1.00 0.00 H new ATOM 0 HA PHE A 99 2.524 -1.116 7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.317 -0.557 4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.511 0.999 4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.421 -0.864 6.211 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.535 2.946 5.936 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.497 0.215 6.961 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.610 4.027 6.681 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.593 2.665 7.199 1.00 0.00 H new ATOM 1540 N GLU A 100 2.388 0.353 9.074 1.00 0.00 N ATOM 1541 CA GLU A 100 2.459 1.211 10.251 1.00 0.00 C ATOM 1542 C GLU A 100 3.898 1.343 10.742 1.00 0.00 C ATOM 1543 O GLU A 100 4.315 0.647 11.666 1.00 0.00 O ATOM 1544 CB GLU A 100 1.575 0.656 11.369 1.00 0.00 C ATOM 1545 CG GLU A 100 0.137 1.144 11.308 1.00 0.00 C ATOM 1546 CD GLU A 100 -0.543 1.126 12.663 1.00 0.00 C ATOM 1547 OE1 GLU A 100 0.079 1.580 13.646 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -1.698 0.657 12.740 1.00 0.00 O ATOM 0 H GLU A 100 2.472 -0.644 9.273 1.00 0.00 H new ATOM 0 HA GLU A 100 2.097 2.200 9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.583 -0.433 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.004 0.935 12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.118 2.158 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.426 0.519 10.615 1.00 0.00 H new ATOM 1555 N GLY A 101 4.651 2.242 10.116 1.00 0.00 N ATOM 1556 CA GLY A 101 6.035 2.449 10.503 1.00 0.00 C ATOM 1557 C GLY A 101 6.375 3.915 10.676 1.00 0.00 C ATOM 1558 O GLY A 101 6.347 4.684 9.716 1.00 0.00 O ATOM 0 H GLY A 101 4.328 2.831 9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.231 1.921 11.436 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.689 2.014 9.747 1.00 0.00 H new ATOM 1562 N GLY A 102 6.696 4.306 11.906 1.00 0.00 N ATOM 1563 CA GLY A 102 7.037 5.690 12.180 1.00 0.00 C ATOM 1564 C GLY A 102 7.921 6.292 11.107 1.00 0.00 C ATOM 1565 O GLY A 102 7.730 7.440 10.708 1.00 0.00 O ATOM 0 H GLY A 102 6.726 3.689 12.718 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.122 6.277 12.264 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.545 5.752 13.142 1.00 0.00 H new ATOM 1569 N ASN A 103 8.893 5.516 10.638 1.00 0.00 N ATOM 1570 CA ASN A 103 9.812 5.982 9.606 1.00 0.00 C ATOM 1571 C ASN A 103 9.421 5.427 8.240 1.00 0.00 C ATOM 1572 O ASN A 103 9.831 4.329 7.863 1.00 0.00 O ATOM 1573 CB ASN A 103 11.246 5.568 9.946 1.00 0.00 C ATOM 1574 CG ASN A 103 11.797 6.320 11.141 1.00 0.00 C ATOM 1575 OD1 ASN A 103 12.264 7.453 11.015 1.00 0.00 O ATOM 1576 ND2 ASN A 103 11.746 5.693 12.310 1.00 0.00 N ATOM 0 H ASN A 103 9.064 4.562 10.956 1.00 0.00 H new ATOM 0 HA ASN A 103 9.755 7.070 9.567 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.274 4.498 10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.887 5.745 9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.102 6.150 13.150 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.351 4.755 12.369 1.00 0.00 H new ATOM 1583 N ARG A 104 8.626 6.195 7.501 1.00 0.00 N ATOM 1584 CA ARG A 104 8.179 5.781 6.177 1.00 0.00 C ATOM 1585 C ARG A 104 9.210 6.150 5.115 1.00 0.00 C ATOM 1586 O ARG A 104 9.127 7.211 4.496 1.00 0.00 O ATOM 1587 CB ARG A 104 6.834 6.428 5.844 1.00 0.00 C ATOM 1588 CG ARG A 104 6.276 6.013 4.492 1.00 0.00 C ATOM 1589 CD ARG A 104 4.879 6.572 4.270 1.00 0.00 C ATOM 1590 NE ARG A 104 3.942 6.128 5.298 1.00 0.00 N ATOM 1591 CZ ARG A 104 3.792 6.737 6.469 1.00 0.00 C ATOM 1592 NH1 ARG A 104 4.513 7.811 6.758 1.00 0.00 N ATOM 1593 NH2 ARG A 104 2.918 6.272 7.353 1.00 0.00 N ATOM 0 H ARG A 104 8.279 7.107 7.797 1.00 0.00 H new ATOM 0 HA ARG A 104 8.061 4.697 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.114 6.169 6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.947 7.512 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.939 6.363 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.248 4.925 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.921 7.661 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.516 6.262 3.290 1.00 0.00 H new ATOM 0 HE ARG A 104 3.371 5.305 5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.185 8.172 6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.396 8.277 7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.361 5.446 7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.804 6.740 8.252 1.00 0.00 H new ATOM 1607 N ASP A 105 10.182 5.268 4.909 1.00 0.00 N ATOM 1608 CA ASP A 105 11.229 5.500 3.921 1.00 0.00 C ATOM 1609 C ASP A 105 11.465 4.253 3.075 1.00 0.00 C ATOM 1610 O ASP A 105 10.847 3.212 3.300 1.00 0.00 O ATOM 1611 CB ASP A 105 12.529 5.916 4.613 1.00 0.00 C ATOM 1612 CG ASP A 105 12.385 7.213 5.383 1.00 0.00 C ATOM 1613 OD1 ASP A 105 11.639 8.101 4.918 1.00 0.00 O ATOM 1614 OD2 ASP A 105 13.019 7.342 6.452 1.00 0.00 O ATOM 0 H ASP A 105 10.267 4.385 5.413 1.00 0.00 H new ATOM 0 HA ASP A 105 10.902 6.306 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.844 5.125 5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.316 6.025 3.867 1.00 0.00 H new ATOM 1619 N LEU A 106 12.361 4.366 2.101 1.00 0.00 N ATOM 1620 CA LEU A 106 12.678 3.248 1.220 1.00 0.00 C ATOM 1621 C LEU A 106 13.371 2.128 1.989 1.00 0.00 C ATOM 1622 O LEU A 106 13.407 0.983 1.539 1.00 0.00 O ATOM 1623 CB LEU A 106 13.569 3.717 0.068 1.00 0.00 C ATOM 1624 CG LEU A 106 13.898 2.669 -0.996 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.703 2.443 -1.909 1.00 0.00 C ATOM 1626 CD2 LEU A 106 15.116 3.094 -1.804 1.00 0.00 C ATOM 0 H LEU A 106 12.881 5.221 1.901 1.00 0.00 H new ATOM 0 HA LEU A 106 11.743 2.861 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.083 4.561 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.505 4.087 0.487 1.00 0.00 H new ATOM 0 HG LEU A 106 14.129 1.729 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.955 1.694 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.855 2.094 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.441 3.378 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.336 2.337 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.913 4.045 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.973 3.205 -1.140 1.00 0.00 H new ATOM 1638 N GLU A 107 13.919 2.466 3.152 1.00 0.00 N ATOM 1639 CA GLU A 107 14.609 1.488 3.984 1.00 0.00 C ATOM 1640 C GLU A 107 13.614 0.679 4.812 1.00 0.00 C ATOM 1641 O GLU A 107 13.805 -0.517 5.038 1.00 0.00 O ATOM 1642 CB GLU A 107 15.609 2.186 4.908 1.00 0.00 C ATOM 1643 CG GLU A 107 16.805 1.323 5.273 1.00 0.00 C ATOM 1644 CD GLU A 107 17.902 1.373 4.227 1.00 0.00 C ATOM 1645 OE1 GLU A 107 18.261 2.490 3.798 1.00 0.00 O ATOM 1646 OE2 GLU A 107 18.400 0.297 3.837 1.00 0.00 O ATOM 0 H GLU A 107 13.898 3.410 3.539 1.00 0.00 H new ATOM 0 HA GLU A 107 15.148 0.806 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.963 3.097 4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.097 2.488 5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.207 1.652 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.478 0.291 5.402 1.00 0.00 H new ATOM 1653 N HIS A 108 12.553 1.340 5.263 1.00 0.00 N ATOM 1654 CA HIS A 108 11.527 0.683 6.066 1.00 0.00 C ATOM 1655 C HIS A 108 10.481 0.021 5.174 1.00 0.00 C ATOM 1656 O HIS A 108 10.156 -1.154 5.348 1.00 0.00 O ATOM 1657 CB HIS A 108 10.856 1.692 6.998 1.00 0.00 C ATOM 1658 CG HIS A 108 11.524 1.812 8.332 1.00 0.00 C ATOM 1659 ND1 HIS A 108 10.855 2.185 9.479 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.810 1.603 8.700 1.00 0.00 C ATOM 1661 CE1 HIS A 108 11.700 2.203 10.494 1.00 0.00 C ATOM 1662 NE2 HIS A 108 12.893 1.853 10.048 1.00 0.00 N ATOM 0 H HIS A 108 12.381 2.330 5.086 1.00 0.00 H new ATOM 0 HA HIS A 108 12.008 -0.089 6.666 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.848 2.670 6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.816 1.401 7.147 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.620 1.297 8.054 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.457 2.460 11.514 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.739 1.780 10.613 1.00 0.00 H new ATOM 1671 N LEU A 109 9.955 0.783 4.221 1.00 0.00 N ATOM 1672 CA LEU A 109 8.944 0.270 3.303 1.00 0.00 C ATOM 1673 C LEU A 109 9.358 -1.084 2.738 1.00 0.00 C ATOM 1674 O LEU A 109 8.575 -2.034 2.739 1.00 0.00 O ATOM 1675 CB LEU A 109 8.714 1.263 2.162 1.00 0.00 C ATOM 1676 CG LEU A 109 7.979 2.552 2.531 1.00 0.00 C ATOM 1677 CD1 LEU A 109 7.998 3.530 1.367 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.548 2.248 2.951 1.00 0.00 C ATOM 0 H LEU A 109 10.212 1.758 4.064 1.00 0.00 H new ATOM 0 HA LEU A 109 8.015 0.142 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.682 1.529 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.150 0.759 1.377 1.00 0.00 H new ATOM 0 HG LEU A 109 8.494 3.013 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.470 4.441 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.030 3.772 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.508 3.079 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.040 3.177 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.022 1.764 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.556 1.585 3.816 1.00 0.00 H new ATOM 1690 N SER A 110 10.595 -1.167 2.258 1.00 0.00 N ATOM 1691 CA SER A 110 11.113 -2.405 1.688 1.00 0.00 C ATOM 1692 C SER A 110 11.099 -3.526 2.723 1.00 0.00 C ATOM 1693 O SER A 110 10.902 -4.695 2.387 1.00 0.00 O ATOM 1694 CB SER A 110 12.536 -2.195 1.167 1.00 0.00 C ATOM 1695 OG SER A 110 13.343 -1.545 2.133 1.00 0.00 O ATOM 0 H SER A 110 11.257 -0.391 2.253 1.00 0.00 H new ATOM 0 HA SER A 110 10.468 -2.692 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.977 -3.157 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.508 -1.601 0.253 1.00 0.00 H new ATOM 0 HG SER A 110 13.210 -0.576 2.072 1.00 0.00 H new ATOM 1701 N LYS A 111 11.309 -3.163 3.983 1.00 0.00 N ATOM 1702 CA LYS A 111 11.320 -4.135 5.069 1.00 0.00 C ATOM 1703 C LYS A 111 9.904 -4.594 5.403 1.00 0.00 C ATOM 1704 O LYS A 111 9.711 -5.571 6.127 1.00 0.00 O ATOM 1705 CB LYS A 111 11.979 -3.535 6.313 1.00 0.00 C ATOM 1706 CG LYS A 111 13.495 -3.621 6.300 1.00 0.00 C ATOM 1707 CD LYS A 111 14.085 -3.292 7.661 1.00 0.00 C ATOM 1708 CE LYS A 111 15.552 -2.908 7.555 1.00 0.00 C ATOM 1709 NZ LYS A 111 15.725 -1.470 7.207 1.00 0.00 N ATOM 0 H LYS A 111 11.474 -2.201 4.278 1.00 0.00 H new ATOM 0 HA LYS A 111 11.896 -5.000 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.684 -2.490 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.602 -4.049 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.801 -4.624 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.893 -2.933 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.525 -2.473 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.980 -4.153 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 111 16.051 -3.115 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.035 -3.526 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.694 -1.310 6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.047 -1.209 6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.555 -0.886 8.050 1.00 0.00 H new ATOM 1723 N PHE A 112 8.916 -3.884 4.869 1.00 0.00 N ATOM 1724 CA PHE A 112 7.517 -4.219 5.109 1.00 0.00 C ATOM 1725 C PHE A 112 6.977 -5.126 4.007 1.00 0.00 C ATOM 1726 O PHE A 112 6.218 -6.058 4.272 1.00 0.00 O ATOM 1727 CB PHE A 112 6.673 -2.946 5.196 1.00 0.00 C ATOM 1728 CG PHE A 112 5.207 -3.181 4.970 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.713 -3.379 3.691 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.323 -3.205 6.037 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.365 -3.595 3.480 1.00 0.00 C ATOM 1732 CE2 PHE A 112 2.973 -3.421 5.832 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.494 -3.617 4.552 1.00 0.00 C ATOM 0 H PHE A 112 9.058 -3.073 4.267 1.00 0.00 H new ATOM 0 HA PHE A 112 7.456 -4.753 6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.813 -2.493 6.178 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.035 -2.229 4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.389 -3.364 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.693 -3.053 7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.992 -3.747 2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.294 -3.436 6.672 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.440 -3.787 4.389 1.00 0.00 H new ATOM 1743 N ILE A 113 7.375 -4.844 2.771 1.00 0.00 N ATOM 1744 CA ILE A 113 6.932 -5.634 1.628 1.00 0.00 C ATOM 1745 C ILE A 113 7.491 -7.051 1.690 1.00 0.00 C ATOM 1746 O ILE A 113 6.745 -8.017 1.852 1.00 0.00 O ATOM 1747 CB ILE A 113 7.355 -4.985 0.297 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.579 -3.686 0.068 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.134 -5.951 -0.857 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.232 -2.760 -0.933 1.00 0.00 C ATOM 0 H ILE A 113 8.003 -4.075 2.535 1.00 0.00 H new ATOM 0 HA ILE A 113 5.844 -5.673 1.674 1.00 0.00 H new ATOM 0 HB ILE A 113 8.417 -4.747 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.574 -3.929 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.473 -3.163 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.438 -5.478 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.727 -6.851 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.078 -6.217 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.627 -1.860 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.227 -2.487 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.314 -3.264 -1.896 1.00 0.00 H new ATOM 1762 N ASP A 114 8.808 -7.168 1.561 1.00 0.00 N ATOM 1763 CA ASP A 114 9.468 -8.468 1.606 1.00 0.00 C ATOM 1764 C ASP A 114 8.781 -9.392 2.606 1.00 0.00 C ATOM 1765 O ASP A 114 8.340 -10.485 2.252 1.00 0.00 O ATOM 1766 CB ASP A 114 10.943 -8.302 1.975 1.00 0.00 C ATOM 1767 CG ASP A 114 11.631 -9.630 2.224 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.223 -10.342 3.165 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.576 -9.957 1.476 1.00 0.00 O ATOM 0 H ASP A 114 9.440 -6.379 1.424 1.00 0.00 H new ATOM 0 HA ASP A 114 9.398 -8.918 0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.458 -7.774 1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.024 -7.681 2.868 1.00 0.00 H new ATOM 1774 N GLU A 115 8.697 -8.946 3.855 1.00 0.00 N ATOM 1775 CA GLU A 115 8.066 -9.736 4.906 1.00 0.00 C ATOM 1776 C GLU A 115 6.768 -10.367 4.408 1.00 0.00 C ATOM 1777 O GLU A 115 6.679 -11.584 4.246 1.00 0.00 O ATOM 1778 CB GLU A 115 7.783 -8.862 6.131 1.00 0.00 C ATOM 1779 CG GLU A 115 8.996 -8.656 7.023 1.00 0.00 C ATOM 1780 CD GLU A 115 9.658 -9.961 7.420 1.00 0.00 C ATOM 1781 OE1 GLU A 115 8.945 -10.982 7.517 1.00 0.00 O ATOM 1782 OE2 GLU A 115 10.888 -9.962 7.633 1.00 0.00 O ATOM 0 H GLU A 115 9.057 -8.043 4.164 1.00 0.00 H new ATOM 0 HA GLU A 115 8.753 -10.534 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.418 -7.891 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.985 -9.319 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.721 -8.028 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.694 -8.118 7.922 1.00 0.00 H new ATOM 1789 N HIS A 116 5.764 -9.529 4.168 1.00 0.00 N ATOM 1790 CA HIS A 116 4.471 -10.004 3.688 1.00 0.00 C ATOM 1791 C HIS A 116 4.618 -10.721 2.349 1.00 0.00 C ATOM 1792 O HIS A 116 3.744 -11.487 1.945 1.00 0.00 O ATOM 1793 CB HIS A 116 3.494 -8.836 3.550 1.00 0.00 C ATOM 1794 CG HIS A 116 3.262 -8.095 4.830 1.00 0.00 C ATOM 1795 ND1 HIS A 116 3.754 -6.830 5.068 1.00 0.00 N ATOM 1796 CD2 HIS A 116 2.582 -8.448 5.947 1.00 0.00 C ATOM 1797 CE1 HIS A 116 3.390 -6.437 6.275 1.00 0.00 C ATOM 1798 NE2 HIS A 116 2.677 -7.401 6.829 1.00 0.00 N ATOM 0 H HIS A 116 5.821 -8.519 4.298 1.00 0.00 H new ATOM 0 HA HIS A 116 4.078 -10.712 4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.875 -8.141 2.801 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.540 -9.212 3.180 1.00 0.00 H new ATOM 0 HD1 HIS A 116 4.313 -6.282 4.413 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.062 -9.380 6.113 1.00 0.00 H new ATOM 0 HE1 HIS A 116 3.634 -5.489 6.731 1.00 0.00 H new ATOM 1807 N ALA A 117 5.729 -10.467 1.666 1.00 0.00 N ATOM 1808 CA ALA A 117 5.991 -11.088 0.374 1.00 0.00 C ATOM 1809 C ALA A 117 6.278 -12.578 0.529 1.00 0.00 C ATOM 1810 O ALA A 117 6.844 -13.011 1.533 1.00 0.00 O ATOM 1811 CB ALA A 117 7.154 -10.395 -0.320 1.00 0.00 C ATOM 0 H ALA A 117 6.463 -9.835 1.986 1.00 0.00 H new ATOM 0 HA ALA A 117 5.098 -10.978 -0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.338 -10.870 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 117 6.912 -9.344 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.047 -10.474 0.300 1.00 0.00 H new ATOM 1817 N THR A 118 5.882 -13.360 -0.471 1.00 0.00 N ATOM 1818 CA THR A 118 6.095 -14.801 -0.444 1.00 0.00 C ATOM 1819 C THR A 118 7.291 -15.196 -1.303 1.00 0.00 C ATOM 1820 O THR A 118 7.442 -16.359 -1.678 1.00 0.00 O ATOM 1821 CB THR A 118 4.850 -15.562 -0.937 1.00 0.00 C ATOM 1822 OG1 THR A 118 3.719 -15.231 -0.123 1.00 0.00 O ATOM 1823 CG2 THR A 118 5.084 -17.065 -0.902 1.00 0.00 C ATOM 0 H THR A 118 5.412 -13.019 -1.309 1.00 0.00 H new ATOM 0 HA THR A 118 6.291 -15.072 0.593 1.00 0.00 H new ATOM 0 HB THR A 118 4.655 -15.265 -1.967 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.931 -15.718 -0.444 1.00 0.00 H new ATOM 0 HG21 THR A 118 4.191 -17.581 -1.255 1.00 0.00 H new ATOM 0 HG22 THR A 118 5.927 -17.317 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 118 5.303 -17.375 0.120 1.00 0.00 H new ATOM 1831 N LYS A 119 8.140 -14.222 -1.611 1.00 0.00 N ATOM 1832 CA LYS A 119 9.325 -14.468 -2.424 1.00 0.00 C ATOM 1833 C LYS A 119 10.454 -15.050 -1.579 1.00 0.00 C ATOM 1834 O LYS A 119 11.625 -14.738 -1.792 1.00 0.00 O ATOM 1835 CB LYS A 119 9.790 -13.171 -3.090 1.00 0.00 C ATOM 1836 CG LYS A 119 10.844 -13.382 -4.163 1.00 0.00 C ATOM 1837 CD LYS A 119 10.219 -13.497 -5.544 1.00 0.00 C ATOM 1838 CE LYS A 119 9.972 -14.949 -5.924 1.00 0.00 C ATOM 1839 NZ LYS A 119 11.237 -15.658 -6.259 1.00 0.00 N ATOM 0 H LYS A 119 8.029 -13.254 -1.310 1.00 0.00 H new ATOM 0 HA LYS A 119 9.061 -15.192 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 119 8.929 -12.670 -3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.189 -12.503 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.549 -12.551 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.412 -14.286 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.277 -12.949 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.874 -13.033 -6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.476 -15.461 -5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.295 -14.991 -6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 11.017 -16.548 -6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.819 -15.057 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.761 -15.865 -5.385 1.00 0.00 H new ATOM 1853 N ARG A 120 10.093 -15.897 -0.621 1.00 0.00 N ATOM 1854 CA ARG A 120 11.075 -16.523 0.256 1.00 0.00 C ATOM 1855 C ARG A 120 10.614 -17.912 0.686 1.00 0.00 C ATOM 1856 O ARG A 120 9.449 -18.271 0.514 1.00 0.00 O ATOM 1857 CB ARG A 120 11.319 -15.650 1.489 1.00 0.00 C ATOM 1858 CG ARG A 120 10.053 -15.030 2.056 1.00 0.00 C ATOM 1859 CD ARG A 120 9.467 -15.882 3.171 1.00 0.00 C ATOM 1860 NE ARG A 120 9.928 -15.452 4.489 1.00 0.00 N ATOM 1861 CZ ARG A 120 10.945 -16.016 5.131 1.00 0.00 C ATOM 1862 NH1 ARG A 120 11.604 -17.026 4.580 1.00 0.00 N ATOM 1863 NH2 ARG A 120 11.305 -15.568 6.327 1.00 0.00 N ATOM 0 H ARG A 120 9.127 -16.166 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 120 12.007 -16.625 -0.299 1.00 0.00 H new ATOM 0 HB2 ARG A 120 11.796 -16.253 2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 120 12.018 -14.855 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 120 10.274 -14.033 2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.317 -14.912 1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.379 -15.830 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.742 -16.925 3.013 1.00 0.00 H new ATOM 0 HE ARG A 120 9.443 -14.677 4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.331 -17.372 3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.384 -17.457 5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.801 -14.791 6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.086 -16.001 6.820 1.00 0.00 H new ATOM 1877 N SER A 121 11.535 -18.690 1.245 1.00 0.00 N ATOM 1878 CA SER A 121 11.224 -20.041 1.696 1.00 0.00 C ATOM 1879 C SER A 121 9.787 -20.129 2.199 1.00 0.00 C ATOM 1880 O SER A 121 8.992 -20.928 1.703 1.00 0.00 O ATOM 1881 CB SER A 121 12.191 -20.468 2.803 1.00 0.00 C ATOM 1882 OG SER A 121 11.767 -19.982 4.065 1.00 0.00 O ATOM 0 H SER A 121 12.503 -18.408 1.396 1.00 0.00 H new ATOM 0 HA SER A 121 11.335 -20.715 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 121 12.258 -21.556 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 121 13.190 -20.093 2.582 1.00 0.00 H new ATOM 0 HG SER A 121 12.400 -20.269 4.756 1.00 0.00 H new ATOM 1888 N ARG A 122 9.460 -19.301 3.186 1.00 0.00 N ATOM 1889 CA ARG A 122 8.119 -19.285 3.758 1.00 0.00 C ATOM 1890 C ARG A 122 7.896 -20.499 4.655 1.00 0.00 C ATOM 1891 O ARG A 122 6.922 -21.235 4.493 1.00 0.00 O ATOM 1892 CB ARG A 122 7.068 -19.259 2.647 1.00 0.00 C ATOM 1893 CG ARG A 122 5.786 -18.543 3.038 1.00 0.00 C ATOM 1894 CD ARG A 122 4.857 -19.455 3.824 1.00 0.00 C ATOM 1895 NE ARG A 122 4.586 -20.702 3.115 1.00 0.00 N ATOM 1896 CZ ARG A 122 3.830 -20.780 2.025 1.00 0.00 C ATOM 1897 NH1 ARG A 122 3.274 -19.687 1.522 1.00 0.00 N ATOM 1898 NH2 ARG A 122 3.631 -21.952 1.436 1.00 0.00 N ATOM 0 H ARG A 122 10.106 -18.632 3.606 1.00 0.00 H new ATOM 0 HA ARG A 122 8.020 -18.384 4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 122 7.492 -18.773 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.829 -20.283 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.027 -17.664 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.277 -18.189 2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.303 -19.679 4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.918 -18.936 4.017 1.00 0.00 H new ATOM 0 HE ARG A 122 5.000 -21.561 3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 122 3.426 -18.784 1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.694 -19.749 0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.059 -22.795 1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.050 -22.010 0.599 1.00 0.00 H new ATOM 1912 N THR A 123 8.806 -20.703 5.603 1.00 0.00 N ATOM 1913 CA THR A 123 8.710 -21.828 6.524 1.00 0.00 C ATOM 1914 C THR A 123 7.882 -21.464 7.752 1.00 0.00 C ATOM 1915 O THR A 123 8.397 -21.417 8.869 1.00 0.00 O ATOM 1916 CB THR A 123 10.103 -22.301 6.981 1.00 0.00 C ATOM 1917 OG1 THR A 123 9.974 -23.404 7.885 1.00 0.00 O ATOM 1918 CG2 THR A 123 10.864 -21.170 7.657 1.00 0.00 C ATOM 0 H THR A 123 9.618 -20.103 5.753 1.00 0.00 H new ATOM 0 HA THR A 123 8.219 -22.637 5.984 1.00 0.00 H new ATOM 0 HB THR A 123 10.662 -22.618 6.100 1.00 0.00 H new ATOM 0 HG1 THR A 123 9.482 -23.117 8.683 1.00 0.00 H new ATOM 0 HG21 THR A 123 11.844 -21.528 7.971 1.00 0.00 H new ATOM 0 HG22 THR A 123 10.987 -20.344 6.956 1.00 0.00 H new ATOM 0 HG23 THR A 123 10.307 -20.827 8.529 1.00 0.00 H new ATOM 1926 N LYS A 124 6.596 -21.208 7.537 1.00 0.00 N ATOM 1927 CA LYS A 124 5.695 -20.850 8.626 1.00 0.00 C ATOM 1928 C LYS A 124 5.662 -21.945 9.688 1.00 0.00 C ATOM 1929 O LYS A 124 5.492 -21.666 10.874 1.00 0.00 O ATOM 1930 CB LYS A 124 4.284 -20.604 8.088 1.00 0.00 C ATOM 1931 CG LYS A 124 3.423 -19.753 9.005 1.00 0.00 C ATOM 1932 CD LYS A 124 2.673 -20.604 10.015 1.00 0.00 C ATOM 1933 CE LYS A 124 2.195 -19.775 11.198 1.00 0.00 C ATOM 1934 NZ LYS A 124 3.318 -19.402 12.103 1.00 0.00 N ATOM 0 H LYS A 124 6.154 -21.242 6.618 1.00 0.00 H new ATOM 0 HA LYS A 124 6.067 -19.934 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.355 -20.117 7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 124 3.792 -21.564 7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 124 4.051 -19.033 9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 124 2.711 -19.181 8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 124 1.818 -21.076 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 124 3.321 -21.406 10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 124 1.706 -18.871 10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 124 1.449 -20.338 11.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 3.017 -19.510 13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 4.132 -20.022 11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 3.590 -18.413 11.930 1.00 0.00 H new ATOM 1948 N GLU A 125 5.827 -23.190 9.252 1.00 0.00 N ATOM 1949 CA GLU A 125 5.816 -24.326 10.166 1.00 0.00 C ATOM 1950 C GLU A 125 6.669 -24.040 11.399 1.00 0.00 C ATOM 1951 O GLU A 125 6.336 -24.458 12.507 1.00 0.00 O ATOM 1952 CB GLU A 125 6.327 -25.583 9.459 1.00 0.00 C ATOM 1953 CG GLU A 125 5.419 -26.064 8.340 1.00 0.00 C ATOM 1954 CD GLU A 125 3.957 -26.087 8.744 1.00 0.00 C ATOM 1955 OE1 GLU A 125 3.618 -26.808 9.705 1.00 0.00 O ATOM 1956 OE2 GLU A 125 3.153 -25.382 8.099 1.00 0.00 O ATOM 0 H GLU A 125 5.970 -23.437 8.273 1.00 0.00 H new ATOM 0 HA GLU A 125 4.788 -24.492 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.318 -25.383 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.440 -26.381 10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.542 -25.415 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.724 -27.065 8.035 1.00 0.00 H new ATOM 1963 N GLU A 126 7.772 -23.326 11.196 1.00 0.00 N ATOM 1964 CA GLU A 126 8.673 -22.986 12.290 1.00 0.00 C ATOM 1965 C GLU A 126 8.328 -21.620 12.875 1.00 0.00 C ATOM 1966 O GLU A 126 8.854 -20.594 12.441 1.00 0.00 O ATOM 1967 CB GLU A 126 10.125 -22.993 11.806 1.00 0.00 C ATOM 1968 CG GLU A 126 10.656 -24.382 11.495 1.00 0.00 C ATOM 1969 CD GLU A 126 12.171 -24.440 11.492 1.00 0.00 C ATOM 1970 OE1 GLU A 126 12.780 -24.107 12.529 1.00 0.00 O ATOM 1971 OE2 GLU A 126 12.748 -24.820 10.451 1.00 0.00 O ATOM 0 H GLU A 126 8.063 -22.972 10.284 1.00 0.00 H new ATOM 0 HA GLU A 126 8.554 -23.737 13.071 1.00 0.00 H new ATOM 0 HB2 GLU A 126 10.204 -22.374 10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 126 10.755 -22.534 12.568 1.00 0.00 H new ATOM 0 HG2 GLU A 126 10.271 -25.087 12.231 1.00 0.00 H new ATOM 0 HG3 GLU A 126 10.282 -24.700 10.522 1.00 0.00 H new ATOM 1978 N LEU A 127 7.439 -21.613 13.863 1.00 0.00 N ATOM 1979 CA LEU A 127 7.022 -20.374 14.508 1.00 0.00 C ATOM 1980 C LEU A 127 7.806 -20.138 15.795 1.00 0.00 C ATOM 1981 O LEU A 127 8.180 -19.008 16.108 1.00 0.00 O ATOM 1982 CB LEU A 127 5.523 -20.413 14.812 1.00 0.00 C ATOM 1983 CG LEU A 127 5.074 -21.451 15.841 1.00 0.00 C ATOM 1984 CD1 LEU A 127 5.102 -20.861 17.242 1.00 0.00 C ATOM 1985 CD2 LEU A 127 3.682 -21.967 15.505 1.00 0.00 C ATOM 0 H LEU A 127 6.994 -22.452 14.234 1.00 0.00 H new ATOM 0 HA LEU A 127 7.227 -19.551 13.823 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.218 -19.427 15.163 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.988 -20.599 13.881 1.00 0.00 H new ATOM 0 HG LEU A 127 5.769 -22.290 15.809 1.00 0.00 H new ATOM 0 HD11 LEU A 127 4.779 -21.614 17.961 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.116 -20.541 17.482 1.00 0.00 H new ATOM 0 HD13 LEU A 127 4.431 -20.004 17.289 1.00 0.00 H new ATOM 0 HD21 LEU A 127 3.378 -22.705 16.248 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.976 -21.137 15.508 1.00 0.00 H new ATOM 0 HD23 LEU A 127 3.694 -22.429 14.518 1.00 0.00 H new ATOM 1997 N SER A 128 8.054 -21.214 16.536 1.00 0.00 N ATOM 1998 CA SER A 128 8.794 -21.124 17.790 1.00 0.00 C ATOM 1999 C SER A 128 9.969 -20.161 17.659 1.00 0.00 C ATOM 2000 O SER A 128 10.751 -20.241 16.712 1.00 0.00 O ATOM 2001 CB SER A 128 9.297 -22.507 18.209 1.00 0.00 C ATOM 2002 OG SER A 128 8.241 -23.452 18.222 1.00 0.00 O ATOM 0 H SER A 128 7.754 -22.157 16.290 1.00 0.00 H new ATOM 0 HA SER A 128 8.119 -20.743 18.556 1.00 0.00 H new ATOM 0 HB2 SER A 128 10.076 -22.837 17.522 1.00 0.00 H new ATOM 0 HB3 SER A 128 9.749 -22.448 19.199 1.00 0.00 H new ATOM 0 HG SER A 128 8.589 -24.328 18.491 1.00 0.00 H new ATOM 2008 N GLY A 129 10.088 -19.249 18.619 1.00 0.00 N ATOM 2009 CA GLY A 129 11.170 -18.282 18.594 1.00 0.00 C ATOM 2010 C GLY A 129 11.705 -17.975 19.979 1.00 0.00 C ATOM 2011 O GLY A 129 11.423 -18.681 20.948 1.00 0.00 O ATOM 0 H GLY A 129 9.454 -19.163 19.414 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.979 -18.663 17.971 1.00 0.00 H new ATOM 0 HA3 GLY A 129 10.819 -17.360 18.131 1.00 0.00 H new ATOM 2015 N PRO A 130 12.498 -16.898 20.086 1.00 0.00 N ATOM 2016 CA PRO A 130 13.092 -16.475 21.358 1.00 0.00 C ATOM 2017 C PRO A 130 12.052 -15.927 22.329 1.00 0.00 C ATOM 2018 O PRO A 130 12.387 -15.480 23.425 1.00 0.00 O ATOM 2019 CB PRO A 130 14.070 -15.374 20.944 1.00 0.00 C ATOM 2020 CG PRO A 130 13.523 -14.842 19.664 1.00 0.00 C ATOM 2021 CD PRO A 130 12.877 -16.011 18.973 1.00 0.00 C ATOM 0 HA PRO A 130 13.562 -17.305 21.885 1.00 0.00 H new ATOM 0 HB2 PRO A 130 14.132 -14.594 21.703 1.00 0.00 H new ATOM 0 HB3 PRO A 130 15.077 -15.769 20.810 1.00 0.00 H new ATOM 0 HG2 PRO A 130 12.799 -14.049 19.849 1.00 0.00 H new ATOM 0 HG3 PRO A 130 14.315 -14.414 19.049 1.00 0.00 H new ATOM 0 HD2 PRO A 130 12.009 -15.704 18.390 1.00 0.00 H new ATOM 0 HD3 PRO A 130 13.565 -16.501 18.285 1.00 0.00 H new ATOM 2029 N SER A 131 10.788 -15.963 21.918 1.00 0.00 N ATOM 2030 CA SER A 131 9.699 -15.467 22.751 1.00 0.00 C ATOM 2031 C SER A 131 9.964 -15.761 24.224 1.00 0.00 C ATOM 2032 O SER A 131 9.863 -16.904 24.668 1.00 0.00 O ATOM 2033 CB SER A 131 8.373 -16.098 22.323 1.00 0.00 C ATOM 2034 OG SER A 131 7.290 -15.557 23.059 1.00 0.00 O ATOM 0 H SER A 131 10.493 -16.330 21.013 1.00 0.00 H new ATOM 0 HA SER A 131 9.638 -14.387 22.620 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.213 -15.929 21.258 1.00 0.00 H new ATOM 0 HB3 SER A 131 8.415 -17.177 22.472 1.00 0.00 H new ATOM 0 HG SER A 131 6.454 -15.976 22.766 1.00 0.00 H new ATOM 2040 N SER A 132 10.304 -14.720 24.977 1.00 0.00 N ATOM 2041 CA SER A 132 10.588 -14.865 26.400 1.00 0.00 C ATOM 2042 C SER A 132 9.300 -15.067 27.193 1.00 0.00 C ATOM 2043 O SER A 132 9.206 -15.964 28.029 1.00 0.00 O ATOM 2044 CB SER A 132 11.334 -13.636 26.921 1.00 0.00 C ATOM 2045 OG SER A 132 12.168 -13.972 28.016 1.00 0.00 O ATOM 0 H SER A 132 10.390 -13.766 24.625 1.00 0.00 H new ATOM 0 HA SER A 132 11.217 -15.745 26.532 1.00 0.00 H new ATOM 0 HB2 SER A 132 11.935 -13.205 26.120 1.00 0.00 H new ATOM 0 HB3 SER A 132 10.617 -12.874 27.226 1.00 0.00 H new ATOM 0 HG SER A 132 12.635 -13.170 28.330 1.00 0.00 H new ATOM 2051 N GLY A 133 8.308 -14.224 26.922 1.00 0.00 N ATOM 2052 CA GLY A 133 7.038 -14.324 27.618 1.00 0.00 C ATOM 2053 C GLY A 133 5.961 -14.969 26.769 1.00 0.00 C ATOM 2054 O GLY A 133 5.776 -14.605 25.608 1.00 0.00 O ATOM 0 H GLY A 133 8.361 -13.474 26.233 1.00 0.00 H new ATOM 0 HA2 GLY A 133 7.172 -14.904 28.531 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.712 -13.328 27.918 1.00 0.00 H new TER 2058 GLY A 133