USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1005 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 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 HIS :FLIP no HE2:sc= -5.11! C(o=-6.9!,f=-5.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 3:sc= 0.093 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 0.111 (180deg=-0.704) USER MOD Single : A 21 GLN : amide:sc= -3.84! C(o=-3.8!,f=-3.6!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.612 K(o=0.61,f=-0.1) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.334 F(o=-1.4,f=-0.33) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-3.9!) USER MOD Single : A 50 TYR OH : rot -171:sc= -1.16 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -77:sc= -3.25! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -80:sc= -1.87 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 120:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.093 X(o=-0.093,f=-0.35) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 151:sc= -0.872 USER MOD Single : A 97 HIS : no HD1:sc= -4.98! C(o=-5!,f=-6.4!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.423 USER MOD Single : A 101 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.7!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN :FLIP amide:sc= -1.27 F(o=-1.8,f=-1.3) USER MOD Single : A 117 MET CE :methyl 172:sc= -2.98! (180deg=-3.73!) USER MOD Single : A 119 SER OG : rot -72:sc= -0.498 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.295 2.853 16.222 1.00 0.00 N ATOM 2 CA GLY A 1 4.282 3.111 15.187 1.00 0.00 C ATOM 3 C GLY A 1 5.689 2.754 15.670 1.00 0.00 C ATOM 4 O GLY A 1 6.102 1.598 15.589 1.00 0.00 O ATOM 0 H1 GLY A 1 2.349 3.103 15.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.314 1.845 16.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.514 3.426 17.062 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.041 2.530 14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.248 4.162 14.901 1.00 0.00 H new ATOM 8 N SER A 2 6.386 3.767 16.162 1.00 0.00 N ATOM 9 CA SER A 2 7.738 3.575 16.659 1.00 0.00 C ATOM 10 C SER A 2 8.638 3.054 15.537 1.00 0.00 C ATOM 11 O SER A 2 8.154 2.474 14.566 1.00 0.00 O ATOM 12 CB SER A 2 7.757 2.610 17.846 1.00 0.00 C ATOM 13 OG SER A 2 7.460 3.268 19.074 1.00 0.00 O ATOM 0 H SER A 2 6.040 4.724 16.227 1.00 0.00 H new ATOM 0 HA SER A 2 8.116 4.538 17.003 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.032 1.813 17.677 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.738 2.139 17.915 1.00 0.00 H new ATOM 0 HG SER A 2 7.480 2.618 19.807 1.00 0.00 H new ATOM 19 N SER A 3 9.932 3.281 15.707 1.00 0.00 N ATOM 20 CA SER A 3 10.905 2.842 14.720 1.00 0.00 C ATOM 21 C SER A 3 12.213 2.455 15.412 1.00 0.00 C ATOM 22 O SER A 3 12.704 1.340 15.240 1.00 0.00 O ATOM 23 CB SER A 3 11.158 3.930 13.675 1.00 0.00 C ATOM 24 OG SER A 3 10.036 4.117 12.817 1.00 0.00 O ATOM 0 H SER A 3 10.330 3.763 16.513 1.00 0.00 H new ATOM 0 HA SER A 3 10.502 1.970 14.206 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.390 4.869 14.178 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.030 3.664 13.078 1.00 0.00 H new ATOM 0 HG SER A 3 9.301 3.538 13.109 1.00 0.00 H new ATOM 30 N GLY A 4 12.741 3.397 16.179 1.00 0.00 N ATOM 31 CA GLY A 4 13.983 3.168 16.897 1.00 0.00 C ATOM 32 C GLY A 4 15.105 4.051 16.346 1.00 0.00 C ATOM 33 O GLY A 4 15.021 4.536 15.219 1.00 0.00 O ATOM 0 H GLY A 4 12.331 4.321 16.319 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.838 3.377 17.957 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.267 2.119 16.814 1.00 0.00 H new ATOM 37 N SER A 5 16.130 4.231 17.167 1.00 0.00 N ATOM 38 CA SER A 5 17.267 5.046 16.776 1.00 0.00 C ATOM 39 C SER A 5 18.242 4.217 15.937 1.00 0.00 C ATOM 40 O SER A 5 18.631 3.120 16.336 1.00 0.00 O ATOM 41 CB SER A 5 17.979 5.623 18.001 1.00 0.00 C ATOM 42 OG SER A 5 18.298 7.001 17.834 1.00 0.00 O ATOM 0 H SER A 5 16.196 3.826 18.101 1.00 0.00 H new ATOM 0 HA SER A 5 16.900 5.879 16.177 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.345 5.502 18.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.893 5.059 18.188 1.00 0.00 H new ATOM 0 HG SER A 5 18.750 7.332 18.638 1.00 0.00 H new ATOM 48 N SER A 6 18.608 4.772 14.792 1.00 0.00 N ATOM 49 CA SER A 6 19.530 4.097 13.894 1.00 0.00 C ATOM 50 C SER A 6 20.505 5.109 13.288 1.00 0.00 C ATOM 51 O SER A 6 21.719 4.914 13.341 1.00 0.00 O ATOM 52 CB SER A 6 18.777 3.358 12.786 1.00 0.00 C ATOM 53 OG SER A 6 18.160 2.166 13.264 1.00 0.00 O ATOM 0 H SER A 6 18.283 5.682 14.465 1.00 0.00 H new ATOM 0 HA SER A 6 20.091 3.361 14.470 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.017 4.015 12.363 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.468 3.111 11.980 1.00 0.00 H new ATOM 0 HG SER A 6 17.688 1.724 12.528 1.00 0.00 H new ATOM 59 N GLY A 7 19.939 6.167 12.727 1.00 0.00 N ATOM 60 CA GLY A 7 20.743 7.209 12.113 1.00 0.00 C ATOM 61 C GLY A 7 20.907 6.962 10.612 1.00 0.00 C ATOM 62 O GLY A 7 19.982 6.493 9.952 1.00 0.00 O ATOM 0 H GLY A 7 18.932 6.325 12.685 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.274 8.179 12.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.723 7.245 12.589 1.00 0.00 H new ATOM 66 N VAL A 8 22.092 7.289 10.117 1.00 0.00 N ATOM 67 CA VAL A 8 22.389 7.108 8.706 1.00 0.00 C ATOM 68 C VAL A 8 21.388 7.910 7.872 1.00 0.00 C ATOM 69 O VAL A 8 20.323 8.282 8.362 1.00 0.00 O ATOM 70 CB VAL A 8 22.397 5.618 8.359 1.00 0.00 C ATOM 71 CG1 VAL A 8 22.064 5.396 6.883 1.00 0.00 C ATOM 72 CG2 VAL A 8 23.740 4.979 8.721 1.00 0.00 C ATOM 0 H VAL A 8 22.857 7.678 10.668 1.00 0.00 H new ATOM 0 HA VAL A 8 23.384 7.487 8.474 1.00 0.00 H new ATOM 0 HB VAL A 8 21.623 5.132 8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.077 4.328 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.074 5.799 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.804 5.902 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 8 23.720 3.920 8.465 1.00 0.00 H new ATOM 0 HG22 VAL A 8 24.539 5.472 8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 8 23.919 5.090 9.790 1.00 0.00 H new ATOM 82 N ILE A 9 21.766 8.153 6.625 1.00 0.00 N ATOM 83 CA ILE A 9 20.915 8.905 5.718 1.00 0.00 C ATOM 84 C ILE A 9 19.503 8.315 5.744 1.00 0.00 C ATOM 85 O ILE A 9 19.334 7.108 5.909 1.00 0.00 O ATOM 86 CB ILE A 9 21.534 8.955 4.320 1.00 0.00 C ATOM 87 CG1 ILE A 9 22.662 9.988 4.257 1.00 0.00 C ATOM 88 CG2 ILE A 9 20.465 9.208 3.255 1.00 0.00 C ATOM 89 CD1 ILE A 9 23.857 9.547 5.105 1.00 0.00 C ATOM 0 H ILE A 9 22.650 7.842 6.222 1.00 0.00 H new ATOM 0 HA ILE A 9 20.834 9.942 6.043 1.00 0.00 H new ATOM 0 HB ILE A 9 21.976 7.982 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.977 10.126 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 9 22.297 10.952 4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.932 9.239 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 9 19.728 8.406 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 9 19.972 10.160 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 9 24.644 10.298 5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 9 23.544 9.434 6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 9 24.235 8.594 4.734 1.00 0.00 H new ATOM 101 N LEU A 10 18.526 9.194 5.579 1.00 0.00 N ATOM 102 CA LEU A 10 17.135 8.775 5.582 1.00 0.00 C ATOM 103 C LEU A 10 16.536 9.002 4.192 1.00 0.00 C ATOM 104 O LEU A 10 16.526 10.126 3.693 1.00 0.00 O ATOM 105 CB LEU A 10 16.366 9.476 6.704 1.00 0.00 C ATOM 106 CG LEU A 10 15.149 8.728 7.252 1.00 0.00 C ATOM 107 CD1 LEU A 10 14.160 8.397 6.133 1.00 0.00 C ATOM 108 CD2 LEU A 10 15.576 7.480 8.028 1.00 0.00 C ATOM 0 H LEU A 10 18.670 10.194 5.442 1.00 0.00 H new ATOM 0 HA LEU A 10 17.059 7.708 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.055 9.662 7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 10 16.036 10.448 6.339 1.00 0.00 H new ATOM 0 HG LEU A 10 14.633 9.383 7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.304 7.866 6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.820 9.320 5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 10 14.650 7.769 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.692 6.967 8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 10 16.128 6.812 7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 10 16.212 7.771 8.864 1.00 0.00 H new ATOM 120 N LYS A 11 16.050 7.917 3.608 1.00 0.00 N ATOM 121 CA LYS A 11 15.451 7.984 2.286 1.00 0.00 C ATOM 122 C LYS A 11 14.264 8.949 2.317 1.00 0.00 C ATOM 123 O LYS A 11 14.121 9.732 3.254 1.00 0.00 O ATOM 124 CB LYS A 11 15.090 6.582 1.790 1.00 0.00 C ATOM 125 CG LYS A 11 16.340 5.710 1.654 1.00 0.00 C ATOM 126 CD LYS A 11 15.966 4.234 1.506 1.00 0.00 C ATOM 127 CE LYS A 11 16.673 3.607 0.303 1.00 0.00 C ATOM 128 NZ LYS A 11 18.066 3.247 0.650 1.00 0.00 N ATOM 0 H LYS A 11 16.059 6.987 4.026 1.00 0.00 H new ATOM 0 HA LYS A 11 16.165 8.379 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.391 6.116 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.584 6.652 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.919 6.031 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.976 5.842 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.237 3.694 2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.887 4.139 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.132 2.718 -0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.669 4.306 -0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.531 2.823 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.584 4.102 0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.063 2.563 1.434 1.00 0.00 H new ATOM 142 N GLU A 12 13.445 8.862 1.279 1.00 0.00 N ATOM 143 CA GLU A 12 12.275 9.719 1.176 1.00 0.00 C ATOM 144 C GLU A 12 10.998 8.896 1.355 1.00 0.00 C ATOM 145 O GLU A 12 9.934 9.448 1.633 1.00 0.00 O ATOM 146 CB GLU A 12 12.261 10.469 -0.158 1.00 0.00 C ATOM 147 CG GLU A 12 13.684 10.692 -0.676 1.00 0.00 C ATOM 148 CD GLU A 12 13.751 11.928 -1.575 1.00 0.00 C ATOM 149 OE1 GLU A 12 13.046 12.907 -1.249 1.00 0.00 O ATOM 150 OE2 GLU A 12 14.508 11.866 -2.569 1.00 0.00 O ATOM 0 H GLU A 12 13.568 8.212 0.503 1.00 0.00 H new ATOM 0 HA GLU A 12 12.321 10.462 1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.687 9.903 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.760 11.429 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.367 10.812 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.014 9.815 -1.232 1.00 0.00 H new ATOM 157 N GLU A 13 11.145 7.590 1.191 1.00 0.00 N ATOM 158 CA GLU A 13 10.016 6.686 1.331 1.00 0.00 C ATOM 159 C GLU A 13 9.935 6.156 2.764 1.00 0.00 C ATOM 160 O GLU A 13 8.848 5.877 3.267 1.00 0.00 O ATOM 161 CB GLU A 13 10.105 5.536 0.326 1.00 0.00 C ATOM 162 CG GLU A 13 11.418 4.768 0.487 1.00 0.00 C ATOM 163 CD GLU A 13 12.286 4.897 -0.767 1.00 0.00 C ATOM 164 OE1 GLU A 13 12.713 6.039 -1.047 1.00 0.00 O ATOM 165 OE2 GLU A 13 12.503 3.852 -1.417 1.00 0.00 O ATOM 0 H GLU A 13 12.029 7.136 0.962 1.00 0.00 H new ATOM 0 HA GLU A 13 9.103 7.242 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.263 4.858 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.031 5.928 -0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.962 5.149 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.207 3.716 0.681 1.00 0.00 H new ATOM 172 N PHE A 14 11.101 6.033 3.382 1.00 0.00 N ATOM 173 CA PHE A 14 11.177 5.541 4.747 1.00 0.00 C ATOM 174 C PHE A 14 11.280 6.699 5.742 1.00 0.00 C ATOM 175 O PHE A 14 11.964 6.590 6.759 1.00 0.00 O ATOM 176 CB PHE A 14 12.441 4.686 4.845 1.00 0.00 C ATOM 177 CG PHE A 14 12.534 3.589 3.783 1.00 0.00 C ATOM 178 CD1 PHE A 14 11.407 2.959 3.355 1.00 0.00 C ATOM 179 CD2 PHE A 14 13.744 3.244 3.266 1.00 0.00 C ATOM 180 CE1 PHE A 14 11.494 1.941 2.369 1.00 0.00 C ATOM 181 CE2 PHE A 14 13.830 2.226 2.279 1.00 0.00 C ATOM 182 CZ PHE A 14 12.703 1.596 1.852 1.00 0.00 C ATOM 0 H PHE A 14 12.001 6.266 2.962 1.00 0.00 H new ATOM 0 HA PHE A 14 10.280 4.970 4.987 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.313 5.334 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.480 4.226 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.446 3.233 3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 14 14.639 3.744 3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.599 1.441 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 14 14.790 1.952 1.868 1.00 0.00 H new ATOM 0 HZ PHE A 14 12.768 0.822 1.102 1.00 0.00 H new ATOM 192 N ARG A 15 10.592 7.783 5.414 1.00 0.00 N ATOM 193 CA ARG A 15 10.598 8.960 6.266 1.00 0.00 C ATOM 194 C ARG A 15 9.165 9.398 6.575 1.00 0.00 C ATOM 195 O ARG A 15 8.949 10.462 7.154 1.00 0.00 O ATOM 196 CB ARG A 15 11.346 10.117 5.601 1.00 0.00 C ATOM 197 CG ARG A 15 10.694 10.498 4.270 1.00 0.00 C ATOM 198 CD ARG A 15 9.656 11.605 4.465 1.00 0.00 C ATOM 199 NE ARG A 15 10.305 12.816 5.015 1.00 0.00 N ATOM 200 CZ ARG A 15 9.751 14.036 5.004 1.00 0.00 C ATOM 201 NH1 ARG A 15 8.535 14.215 4.471 1.00 0.00 N ATOM 202 NH2 ARG A 15 10.413 15.078 5.526 1.00 0.00 N ATOM 0 H ARG A 15 10.027 7.871 4.570 1.00 0.00 H new ATOM 0 HA ARG A 15 11.109 8.697 7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.354 10.980 6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.385 9.834 5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.459 10.831 3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.218 9.622 3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.178 11.839 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.871 11.264 5.140 1.00 0.00 H new ATOM 0 HE ARG A 15 11.232 12.716 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.031 13.422 4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.113 15.144 4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.339 14.942 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.991 16.007 5.517 1.00 0.00 H new ATOM 216 N GLY A 16 8.223 8.556 6.176 1.00 0.00 N ATOM 217 CA GLY A 16 6.817 8.844 6.403 1.00 0.00 C ATOM 218 C GLY A 16 6.359 8.300 7.758 1.00 0.00 C ATOM 219 O GLY A 16 7.182 7.975 8.611 1.00 0.00 O ATOM 0 H GLY A 16 8.406 7.674 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.652 9.921 6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.218 8.401 5.608 1.00 0.00 H new ATOM 223 N VAL A 17 5.045 8.218 7.913 1.00 0.00 N ATOM 224 CA VAL A 17 4.467 7.719 9.149 1.00 0.00 C ATOM 225 C VAL A 17 3.540 6.543 8.835 1.00 0.00 C ATOM 226 O VAL A 17 3.199 6.309 7.677 1.00 0.00 O ATOM 227 CB VAL A 17 3.761 8.855 9.892 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.448 9.229 9.202 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.525 8.487 11.358 1.00 0.00 C ATOM 0 H VAL A 17 4.365 8.489 7.203 1.00 0.00 H new ATOM 0 HA VAL A 17 5.247 7.349 9.814 1.00 0.00 H new ATOM 0 HB VAL A 17 4.413 9.728 9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.967 10.039 9.750 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.653 9.553 8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.788 8.362 9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.022 9.311 11.864 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.903 7.594 11.413 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.482 8.294 11.843 1.00 0.00 H new ATOM 239 N ILE A 18 3.159 5.834 9.888 1.00 0.00 N ATOM 240 CA ILE A 18 2.278 4.688 9.739 1.00 0.00 C ATOM 241 C ILE A 18 0.847 5.102 10.088 1.00 0.00 C ATOM 242 O ILE A 18 0.630 5.871 11.023 1.00 0.00 O ATOM 243 CB ILE A 18 2.795 3.506 10.561 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.146 3.019 10.034 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.760 2.380 10.612 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.082 2.748 8.529 1.00 0.00 C ATOM 0 H ILE A 18 3.444 6.031 10.847 1.00 0.00 H new ATOM 0 HA ILE A 18 2.267 4.346 8.704 1.00 0.00 H new ATOM 0 HB ILE A 18 2.953 3.846 11.585 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.912 3.767 10.240 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.439 2.110 10.559 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.152 1.552 11.202 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.843 2.750 11.070 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.547 2.035 9.600 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.055 2.403 8.180 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.332 1.982 8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.813 3.665 8.005 1.00 0.00 H new ATOM 258 N ILE A 19 -0.092 4.573 9.318 1.00 0.00 N ATOM 259 CA ILE A 19 -1.496 4.877 9.534 1.00 0.00 C ATOM 260 C ILE A 19 -2.225 3.610 9.986 1.00 0.00 C ATOM 261 O ILE A 19 -3.173 3.680 10.766 1.00 0.00 O ATOM 262 CB ILE A 19 -2.102 5.523 8.286 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.580 4.854 7.013 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.862 7.034 8.280 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.341 5.579 6.482 1.00 0.00 C ATOM 0 H ILE A 19 0.092 3.935 8.543 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.608 5.611 10.332 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.181 5.368 8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.336 3.812 7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.360 4.854 6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.302 7.469 7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.322 7.479 9.162 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.790 7.232 8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.010 5.084 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.595 6.614 6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.445 5.556 7.237 1.00 0.00 H new ATOM 277 N LYS A 20 -1.754 2.481 9.475 1.00 0.00 N ATOM 278 CA LYS A 20 -2.349 1.200 9.816 1.00 0.00 C ATOM 279 C LYS A 20 -1.376 0.078 9.452 1.00 0.00 C ATOM 280 O LYS A 20 -0.703 0.144 8.424 1.00 0.00 O ATOM 281 CB LYS A 20 -3.725 1.058 9.163 1.00 0.00 C ATOM 282 CG LYS A 20 -4.447 -0.192 9.672 1.00 0.00 C ATOM 283 CD LYS A 20 -5.154 -0.921 8.527 1.00 0.00 C ATOM 284 CE LYS A 20 -6.222 -1.877 9.063 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.315 -1.121 9.715 1.00 0.00 N ATOM 0 H LYS A 20 -0.968 2.427 8.828 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.524 1.134 10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.326 1.942 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.614 1.003 8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.731 -0.862 10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.175 0.089 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.614 -0.194 7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.424 -1.478 7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.624 -2.477 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.774 -2.569 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.161 -1.723 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.017 -0.833 10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.536 -0.275 9.152 1.00 0.00 H new ATOM 299 N GLN A 21 -1.332 -0.927 10.314 1.00 0.00 N ATOM 300 CA GLN A 21 -0.452 -2.063 10.096 1.00 0.00 C ATOM 301 C GLN A 21 -1.210 -3.373 10.323 1.00 0.00 C ATOM 302 O GLN A 21 -2.278 -3.378 10.932 1.00 0.00 O ATOM 303 CB GLN A 21 0.783 -1.981 10.995 1.00 0.00 C ATOM 304 CG GLN A 21 1.664 -0.791 10.608 1.00 0.00 C ATOM 305 CD GLN A 21 2.766 -0.565 11.645 1.00 0.00 C ATOM 306 OE1 GLN A 21 2.567 0.059 12.674 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.936 -1.106 11.318 1.00 0.00 N ATOM 0 H GLN A 21 -1.892 -0.978 11.165 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.109 -2.039 9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.474 -1.886 12.036 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.357 -2.904 10.916 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.111 -0.968 9.630 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.052 0.107 10.521 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.034 -1.616 10.440 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.735 -1.011 11.945 1.00 0.00 H new ATOM 316 N GLY A 22 -0.626 -4.451 9.821 1.00 0.00 N ATOM 317 CA GLY A 22 -1.233 -5.764 9.962 1.00 0.00 C ATOM 318 C GLY A 22 -0.778 -6.701 8.842 1.00 0.00 C ATOM 319 O GLY A 22 0.022 -6.315 7.991 1.00 0.00 O ATOM 0 H GLY A 22 0.260 -4.442 9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.966 -6.190 10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.319 -5.670 9.944 1.00 0.00 H new ATOM 323 N CYS A 23 -1.307 -7.915 8.878 1.00 0.00 N ATOM 324 CA CYS A 23 -0.966 -8.911 7.876 1.00 0.00 C ATOM 325 C CYS A 23 -2.149 -9.054 6.917 1.00 0.00 C ATOM 326 O CYS A 23 -3.300 -8.876 7.315 1.00 0.00 O ATOM 327 CB CYS A 23 -0.584 -10.248 8.515 1.00 0.00 C ATOM 328 SG CYS A 23 1.030 -10.098 9.363 1.00 0.00 S ATOM 0 H CYS A 23 -1.970 -8.232 9.586 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.087 -8.584 7.320 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.351 -10.553 9.227 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.532 -11.024 7.751 1.00 0.00 H new ATOM 0 HG CYS A 23 1.344 -11.238 9.904 1.00 0.00 H new ATOM 334 N LEU A 24 -1.826 -9.372 5.673 1.00 0.00 N ATOM 335 CA LEU A 24 -2.849 -9.541 4.654 1.00 0.00 C ATOM 336 C LEU A 24 -2.464 -10.706 3.740 1.00 0.00 C ATOM 337 O LEU A 24 -1.316 -11.146 3.739 1.00 0.00 O ATOM 338 CB LEU A 24 -3.084 -8.226 3.909 1.00 0.00 C ATOM 339 CG LEU A 24 -4.008 -7.220 4.599 1.00 0.00 C ATOM 340 CD1 LEU A 24 -4.152 -5.946 3.764 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.364 -7.851 4.920 1.00 0.00 C ATOM 0 H LEU A 24 -0.871 -9.517 5.347 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.805 -9.797 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.119 -7.748 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.499 -8.456 2.928 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.554 -6.934 5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.814 -5.248 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.173 -5.486 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.572 -6.195 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.001 -7.115 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.838 -8.184 3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.220 -8.705 5.583 1.00 0.00 H new ATOM 353 N LEU A 25 -3.447 -11.171 2.983 1.00 0.00 N ATOM 354 CA LEU A 25 -3.226 -12.276 2.065 1.00 0.00 C ATOM 355 C LEU A 25 -3.144 -11.738 0.636 1.00 0.00 C ATOM 356 O LEU A 25 -4.169 -11.472 0.009 1.00 0.00 O ATOM 357 CB LEU A 25 -4.296 -13.353 2.257 1.00 0.00 C ATOM 358 CG LEU A 25 -4.539 -13.809 3.697 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.301 -14.501 4.270 1.00 0.00 C ATOM 360 CD2 LEU A 25 -4.999 -12.640 4.571 1.00 0.00 C ATOM 0 H LEU A 25 -4.398 -10.803 2.986 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.274 -12.763 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.236 -12.979 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.017 -14.224 1.663 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.344 -14.544 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.501 -14.815 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.059 -15.374 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.460 -13.808 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.165 -12.991 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.233 -11.865 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.927 -12.231 4.172 1.00 0.00 H new ATOM 372 N LYS A 26 -1.916 -11.594 0.161 1.00 0.00 N ATOM 373 CA LYS A 26 -1.687 -11.092 -1.183 1.00 0.00 C ATOM 374 C LYS A 26 -1.653 -12.267 -2.162 1.00 0.00 C ATOM 375 O LYS A 26 -0.720 -13.068 -2.146 1.00 0.00 O ATOM 376 CB LYS A 26 -0.429 -10.222 -1.223 1.00 0.00 C ATOM 377 CG LYS A 26 -0.264 -9.559 -2.592 1.00 0.00 C ATOM 378 CD LYS A 26 1.209 -9.274 -2.890 1.00 0.00 C ATOM 379 CE LYS A 26 1.470 -9.256 -4.398 1.00 0.00 C ATOM 380 NZ LYS A 26 2.123 -10.513 -4.826 1.00 0.00 N ATOM 0 H LYS A 26 -1.068 -11.816 0.683 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.506 -10.442 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.487 -9.457 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.447 -10.832 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.676 -10.207 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.831 -8.628 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.492 -8.315 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.833 -10.033 -2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.530 -9.127 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.102 -8.406 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.293 -10.484 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.030 -10.620 -4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.506 -11.319 -4.600 1.00 0.00 H new ATOM 394 N GLN A 27 -2.684 -12.333 -2.993 1.00 0.00 N ATOM 395 CA GLN A 27 -2.784 -13.397 -3.978 1.00 0.00 C ATOM 396 C GLN A 27 -1.740 -13.201 -5.078 1.00 0.00 C ATOM 397 O GLN A 27 -1.103 -12.152 -5.155 1.00 0.00 O ATOM 398 CB GLN A 27 -4.195 -13.467 -4.566 1.00 0.00 C ATOM 399 CG GLN A 27 -4.805 -14.856 -4.363 1.00 0.00 C ATOM 400 CD GLN A 27 -5.625 -15.278 -5.584 1.00 0.00 C ATOM 401 OE1 GLN A 27 -5.103 -15.749 -6.582 1.00 0.00 O ATOM 402 NE2 GLN A 27 -6.933 -15.085 -5.450 1.00 0.00 N ATOM 0 H GLN A 27 -3.457 -11.667 -3.004 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.585 -14.347 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.827 -12.715 -4.094 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.162 -13.232 -5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.012 -15.583 -4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.440 -14.852 -3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.304 -14.686 -4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.566 -15.336 -6.210 1.00 0.00 H new ATOM 411 N GLY A 28 -1.596 -14.229 -5.903 1.00 0.00 N ATOM 412 CA GLY A 28 -0.640 -14.183 -6.996 1.00 0.00 C ATOM 413 C GLY A 28 -1.057 -13.153 -8.047 1.00 0.00 C ATOM 414 O GLY A 28 -0.996 -11.950 -7.801 1.00 0.00 O ATOM 0 H GLY A 28 -2.126 -15.098 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.348 -13.933 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.562 -15.167 -7.457 1.00 0.00 H new ATOM 418 N HIS A 29 -1.472 -13.664 -9.197 1.00 0.00 N ATOM 419 CA HIS A 29 -1.899 -12.803 -10.287 1.00 0.00 C ATOM 420 C HIS A 29 -3.236 -13.301 -10.840 1.00 0.00 C ATOM 421 O HIS A 29 -4.232 -12.579 -10.809 1.00 0.00 O ATOM 422 CB HIS A 29 -0.813 -12.706 -11.361 1.00 0.00 C ATOM 423 CG HIS A 29 -1.183 -11.826 -12.531 1.00 0.00 C ATOM 424 ND1 HIS A 29 -2.347 -11.178 -12.826 1.00 0.00 N flip ATOM 425 CD2 HIS A 29 -0.302 -11.534 -13.557 1.00 0.00 C flip ATOM 426 CE1 HIS A 29 -2.184 -10.525 -13.970 1.00 0.00 C flip ATOM 427 NE2 HIS A 29 -0.918 -10.744 -14.425 1.00 0.00 N flip ATOM 0 H HIS A 29 -1.522 -14.663 -9.398 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.053 -11.790 -9.916 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.100 -12.323 -10.906 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.590 -13.707 -11.729 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.715 -11.889 -13.637 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.932 -9.919 -14.460 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -0.515 -10.366 -15.283 1.00 0.00 H new ATOM 435 N ARG A 30 -3.216 -14.530 -11.332 1.00 0.00 N ATOM 436 CA ARG A 30 -4.415 -15.133 -11.890 1.00 0.00 C ATOM 437 C ARG A 30 -5.008 -16.145 -10.908 1.00 0.00 C ATOM 438 O ARG A 30 -6.212 -16.141 -10.658 1.00 0.00 O ATOM 439 CB ARG A 30 -4.112 -15.836 -13.215 1.00 0.00 C ATOM 440 CG ARG A 30 -5.024 -15.322 -14.330 1.00 0.00 C ATOM 441 CD ARG A 30 -6.227 -16.248 -14.525 1.00 0.00 C ATOM 442 NE ARG A 30 -6.144 -16.914 -15.844 1.00 0.00 N ATOM 443 CZ ARG A 30 -6.287 -16.280 -17.016 1.00 0.00 C ATOM 444 NH1 ARG A 30 -6.522 -14.961 -17.040 1.00 0.00 N ATOM 445 NH2 ARG A 30 -6.196 -16.966 -18.164 1.00 0.00 N ATOM 0 H ARG A 30 -2.388 -15.126 -11.356 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.134 -14.334 -12.071 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.070 -15.671 -13.488 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.245 -16.912 -13.099 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.370 -14.317 -14.088 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.461 -15.250 -15.261 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.253 -16.995 -13.732 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.152 -15.676 -14.455 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.967 -17.918 -15.862 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.592 -14.439 -16.166 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.631 -14.479 -17.932 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.018 -17.970 -18.145 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.305 -16.484 -19.056 1.00 0.00 H new ATOM 459 N ARG A 31 -4.134 -16.987 -10.376 1.00 0.00 N ATOM 460 CA ARG A 31 -4.556 -18.002 -9.426 1.00 0.00 C ATOM 461 C ARG A 31 -3.346 -18.562 -8.675 1.00 0.00 C ATOM 462 O ARG A 31 -2.398 -19.047 -9.291 1.00 0.00 O ATOM 463 CB ARG A 31 -5.284 -19.148 -10.132 1.00 0.00 C ATOM 464 CG ARG A 31 -5.447 -20.351 -9.200 1.00 0.00 C ATOM 465 CD ARG A 31 -4.222 -21.266 -9.269 1.00 0.00 C ATOM 466 NE ARG A 31 -4.648 -22.683 -9.237 1.00 0.00 N ATOM 467 CZ ARG A 31 -3.842 -23.703 -8.910 1.00 0.00 C ATOM 468 NH1 ARG A 31 -2.563 -23.468 -8.586 1.00 0.00 N ATOM 469 NH2 ARG A 31 -4.314 -24.957 -8.908 1.00 0.00 N ATOM 0 H ARG A 31 -3.136 -16.987 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.240 -17.532 -8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.264 -18.809 -10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.727 -19.445 -11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.591 -20.006 -8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.340 -20.911 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.660 -21.067 -10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.555 -21.059 -8.432 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.616 -22.897 -9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.203 -22.513 -8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.949 -24.244 -8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.287 -25.136 -9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.700 -25.733 -8.659 1.00 0.00 H new ATOM 483 N LYS A 32 -3.418 -18.477 -7.355 1.00 0.00 N ATOM 484 CA LYS A 32 -2.341 -18.969 -6.513 1.00 0.00 C ATOM 485 C LYS A 32 -2.905 -19.359 -5.146 1.00 0.00 C ATOM 486 O LYS A 32 -4.120 -19.428 -4.969 1.00 0.00 O ATOM 487 CB LYS A 32 -1.207 -17.944 -6.441 1.00 0.00 C ATOM 488 CG LYS A 32 -0.100 -18.279 -7.443 1.00 0.00 C ATOM 489 CD LYS A 32 1.100 -18.918 -6.742 1.00 0.00 C ATOM 490 CE LYS A 32 2.164 -19.345 -7.755 1.00 0.00 C ATOM 491 NZ LYS A 32 3.311 -19.978 -7.067 1.00 0.00 N ATOM 0 H LYS A 32 -4.206 -18.075 -6.848 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.901 -19.868 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.599 -16.948 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.795 -17.923 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.486 -18.959 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.216 -17.372 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.531 -18.211 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.771 -19.784 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.732 -20.043 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.505 -18.478 -8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.024 -20.262 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.733 -19.301 -6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.984 -20.817 -6.547 1.00 0.00 H new ATOM 505 N ASN A 33 -1.996 -19.604 -4.214 1.00 0.00 N ATOM 506 CA ASN A 33 -2.387 -19.986 -2.868 1.00 0.00 C ATOM 507 C ASN A 33 -2.275 -18.771 -1.945 1.00 0.00 C ATOM 508 O ASN A 33 -1.200 -18.188 -1.809 1.00 0.00 O ATOM 509 CB ASN A 33 -1.474 -21.083 -2.318 1.00 0.00 C ATOM 510 CG ASN A 33 -1.815 -22.441 -2.936 1.00 0.00 C ATOM 511 OD1 ASN A 33 -1.541 -22.712 -4.094 1.00 0.00 O ATOM 512 ND2 ASN A 33 -2.426 -23.276 -2.102 1.00 0.00 N ATOM 0 H ASN A 33 -0.989 -19.545 -4.365 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.411 -20.357 -2.908 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.434 -20.835 -2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.576 -21.137 -1.234 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.695 -24.207 -2.419 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.626 -22.986 -1.145 1.00 0.00 H new ATOM 519 N TRP A 34 -3.399 -18.425 -1.335 1.00 0.00 N ATOM 520 CA TRP A 34 -3.440 -17.290 -0.429 1.00 0.00 C ATOM 521 C TRP A 34 -2.286 -17.436 0.565 1.00 0.00 C ATOM 522 O TRP A 34 -2.251 -18.386 1.346 1.00 0.00 O ATOM 523 CB TRP A 34 -4.805 -17.181 0.253 1.00 0.00 C ATOM 524 CG TRP A 34 -5.957 -16.872 -0.706 1.00 0.00 C ATOM 525 CD1 TRP A 34 -6.685 -17.736 -1.426 1.00 0.00 C ATOM 526 CD2 TRP A 34 -6.486 -15.567 -1.021 1.00 0.00 C ATOM 527 NE1 TRP A 34 -7.641 -17.086 -2.180 1.00 0.00 N ATOM 528 CE2 TRP A 34 -7.516 -15.725 -1.926 1.00 0.00 C ATOM 529 CE3 TRP A 34 -6.107 -14.295 -0.557 1.00 0.00 C ATOM 530 CZ2 TRP A 34 -8.252 -14.653 -2.444 1.00 0.00 C ATOM 531 CZ3 TRP A 34 -6.853 -13.234 -1.085 1.00 0.00 C ATOM 532 CH2 TRP A 34 -7.892 -13.376 -1.996 1.00 0.00 C ATOM 0 H TRP A 34 -4.288 -18.911 -1.450 1.00 0.00 H new ATOM 0 HA TRP A 34 -3.313 -16.356 -0.976 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -5.017 -18.117 0.770 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -4.759 -16.401 1.013 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -6.542 -18.806 -1.417 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -8.315 -17.524 -2.808 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -5.304 -14.148 0.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.054 -14.803 -3.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.603 -12.235 -0.761 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.420 -12.506 -2.357 1.00 0.00 H new ATOM 543 N LYS A 35 -1.369 -16.482 0.503 1.00 0.00 N ATOM 544 CA LYS A 35 -0.216 -16.493 1.388 1.00 0.00 C ATOM 545 C LYS A 35 -0.299 -15.298 2.340 1.00 0.00 C ATOM 546 O LYS A 35 -0.731 -14.215 1.948 1.00 0.00 O ATOM 547 CB LYS A 35 1.081 -16.545 0.577 1.00 0.00 C ATOM 548 CG LYS A 35 1.890 -17.798 0.917 1.00 0.00 C ATOM 549 CD LYS A 35 2.889 -18.124 -0.195 1.00 0.00 C ATOM 550 CE LYS A 35 3.534 -19.493 0.032 1.00 0.00 C ATOM 551 NZ LYS A 35 4.263 -19.929 -1.180 1.00 0.00 N ATOM 0 H LYS A 35 -1.401 -15.696 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.216 -17.392 2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.849 -16.535 -0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.678 -15.656 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.422 -17.648 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.216 -18.642 1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.382 -18.112 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.661 -17.356 -0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.220 -19.443 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.768 -20.225 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.695 -20.860 -1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.600 -19.996 -1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.007 -19.238 -1.405 1.00 0.00 H new ATOM 565 N VAL A 36 0.123 -15.535 3.574 1.00 0.00 N ATOM 566 CA VAL A 36 0.102 -14.493 4.585 1.00 0.00 C ATOM 567 C VAL A 36 1.363 -13.635 4.453 1.00 0.00 C ATOM 568 O VAL A 36 2.450 -14.156 4.208 1.00 0.00 O ATOM 569 CB VAL A 36 -0.055 -15.114 5.974 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.322 -14.113 7.069 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.476 -15.643 6.181 1.00 0.00 C ATOM 0 H VAL A 36 0.481 -16.434 3.896 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.756 -13.836 4.439 1.00 0.00 H new ATOM 0 HB VAL A 36 0.631 -15.959 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.201 -14.580 8.046 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.360 -13.806 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.326 -13.239 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.560 -16.079 7.176 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.187 -14.823 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.694 -16.404 5.432 1.00 0.00 H new ATOM 581 N ARG A 37 1.175 -12.334 4.622 1.00 0.00 N ATOM 582 CA ARG A 37 2.283 -11.400 4.525 1.00 0.00 C ATOM 583 C ARG A 37 1.963 -10.115 5.291 1.00 0.00 C ATOM 584 O ARG A 37 0.802 -9.720 5.390 1.00 0.00 O ATOM 585 CB ARG A 37 2.585 -11.053 3.065 1.00 0.00 C ATOM 586 CG ARG A 37 3.380 -12.172 2.389 1.00 0.00 C ATOM 587 CD ARG A 37 4.083 -11.661 1.130 1.00 0.00 C ATOM 588 NE ARG A 37 3.862 -12.602 0.009 1.00 0.00 N ATOM 589 CZ ARG A 37 4.413 -12.467 -1.205 1.00 0.00 C ATOM 590 NH1 ARG A 37 5.221 -11.430 -1.462 1.00 0.00 N ATOM 591 NH2 ARG A 37 4.157 -13.370 -2.161 1.00 0.00 N ATOM 0 H ARG A 37 0.272 -11.905 4.825 1.00 0.00 H new ATOM 0 HA ARG A 37 3.159 -11.879 4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.652 -10.888 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.149 -10.122 3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.118 -12.571 3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.711 -12.992 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.703 -10.674 0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.151 -11.552 1.319 1.00 0.00 H new ATOM 0 HE ARG A 37 3.252 -13.403 0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.417 -10.743 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.641 -11.327 -2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.543 -14.160 -1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.576 -13.267 -3.085 1.00 0.00 H new ATOM 605 N LYS A 38 3.012 -9.498 5.814 1.00 0.00 N ATOM 606 CA LYS A 38 2.857 -8.266 6.568 1.00 0.00 C ATOM 607 C LYS A 38 2.697 -7.095 5.597 1.00 0.00 C ATOM 608 O LYS A 38 3.396 -7.020 4.588 1.00 0.00 O ATOM 609 CB LYS A 38 4.014 -8.093 7.555 1.00 0.00 C ATOM 610 CG LYS A 38 3.542 -7.404 8.837 1.00 0.00 C ATOM 611 CD LYS A 38 4.508 -6.291 9.248 1.00 0.00 C ATOM 612 CE LYS A 38 3.961 -5.503 10.441 1.00 0.00 C ATOM 613 NZ LYS A 38 4.642 -5.914 11.689 1.00 0.00 N ATOM 0 H LYS A 38 3.973 -9.829 5.730 1.00 0.00 H new ATOM 0 HA LYS A 38 1.953 -8.302 7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.439 -9.067 7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.807 -7.505 7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.546 -6.988 8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.463 -8.137 9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.476 -6.721 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.672 -5.617 8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.105 -4.435 10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.888 -5.670 10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.259 -5.370 12.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.483 -6.929 11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.662 -5.732 11.604 1.00 0.00 H new ATOM 627 N PHE A 39 1.771 -6.209 5.936 1.00 0.00 N ATOM 628 CA PHE A 39 1.510 -5.045 5.106 1.00 0.00 C ATOM 629 C PHE A 39 1.433 -3.774 5.954 1.00 0.00 C ATOM 630 O PHE A 39 0.570 -3.654 6.823 1.00 0.00 O ATOM 631 CB PHE A 39 0.159 -5.274 4.427 1.00 0.00 C ATOM 632 CG PHE A 39 0.257 -5.942 3.054 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.296 -7.298 2.958 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.306 -5.179 1.929 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.388 -7.918 1.684 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.398 -5.799 0.655 1.00 0.00 C ATOM 637 CZ PHE A 39 0.437 -7.155 0.559 1.00 0.00 C ATOM 0 H PHE A 39 1.193 -6.274 6.774 1.00 0.00 H new ATOM 0 HA PHE A 39 2.313 -4.917 4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.462 -5.891 5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.348 -4.315 4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.257 -7.904 3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.275 -4.102 2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.419 -8.995 1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.437 -5.193 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.507 -7.626 -0.410 1.00 0.00 H new ATOM 647 N ILE A 40 2.346 -2.856 5.672 1.00 0.00 N ATOM 648 CA ILE A 40 2.392 -1.598 6.397 1.00 0.00 C ATOM 649 C ILE A 40 2.058 -0.451 5.442 1.00 0.00 C ATOM 650 O ILE A 40 2.613 -0.368 4.348 1.00 0.00 O ATOM 651 CB ILE A 40 3.738 -1.437 7.105 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.007 -2.613 8.047 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.819 -0.092 7.830 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.463 -2.616 8.519 1.00 0.00 C ATOM 0 H ILE A 40 3.060 -2.959 4.951 1.00 0.00 H new ATOM 0 HA ILE A 40 1.640 -1.585 7.186 1.00 0.00 H new ATOM 0 HB ILE A 40 4.524 -1.444 6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.342 -2.553 8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.784 -3.550 7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.786 -0.003 8.325 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.705 0.717 7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.024 -0.031 8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.627 -3.462 9.187 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.125 -2.701 7.657 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.675 -1.688 9.050 1.00 0.00 H new ATOM 666 N LEU A 41 1.152 0.406 5.891 1.00 0.00 N ATOM 667 CA LEU A 41 0.738 1.545 5.089 1.00 0.00 C ATOM 668 C LEU A 41 1.317 2.826 5.694 1.00 0.00 C ATOM 669 O LEU A 41 1.284 3.013 6.909 1.00 0.00 O ATOM 670 CB LEU A 41 -0.784 1.569 4.939 1.00 0.00 C ATOM 671 CG LEU A 41 -1.365 2.768 4.186 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.124 2.638 2.681 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.847 2.956 4.515 1.00 0.00 C ATOM 0 H LEU A 41 0.693 0.334 6.799 1.00 0.00 H new ATOM 0 HA LEU A 41 1.134 1.463 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.093 0.658 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.228 1.540 5.934 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.845 3.666 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.546 3.503 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.053 2.589 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.601 1.730 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.235 3.814 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.400 2.062 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.963 3.126 5.585 1.00 0.00 H new ATOM 685 N ARG A 42 1.833 3.675 4.818 1.00 0.00 N ATOM 686 CA ARG A 42 2.418 4.933 5.250 1.00 0.00 C ATOM 687 C ARG A 42 2.033 6.057 4.285 1.00 0.00 C ATOM 688 O ARG A 42 2.272 5.955 3.082 1.00 0.00 O ATOM 689 CB ARG A 42 3.943 4.834 5.325 1.00 0.00 C ATOM 690 CG ARG A 42 4.538 4.485 3.960 1.00 0.00 C ATOM 691 CD ARG A 42 5.550 3.344 4.079 1.00 0.00 C ATOM 692 NE ARG A 42 6.707 3.777 4.894 1.00 0.00 N ATOM 693 CZ ARG A 42 7.499 2.940 5.578 1.00 0.00 C ATOM 694 NH1 ARG A 42 7.265 1.621 5.549 1.00 0.00 N ATOM 695 NH2 ARG A 42 8.527 3.422 6.290 1.00 0.00 N ATOM 0 H ARG A 42 1.858 3.517 3.811 1.00 0.00 H new ATOM 0 HA ARG A 42 2.030 5.155 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.356 5.781 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.226 4.075 6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.741 4.199 3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.023 5.364 3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.078 2.474 4.536 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.886 3.040 3.088 1.00 0.00 H new ATOM 0 HE ARG A 42 6.914 4.775 4.938 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.484 1.253 5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.868 0.984 6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.706 4.426 6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.130 2.785 6.811 1.00 0.00 H new ATOM 709 N GLU A 43 1.445 7.102 4.848 1.00 0.00 N ATOM 710 CA GLU A 43 1.026 8.243 4.053 1.00 0.00 C ATOM 711 C GLU A 43 2.049 9.375 4.167 1.00 0.00 C ATOM 712 O GLU A 43 2.618 9.596 5.234 1.00 0.00 O ATOM 713 CB GLU A 43 -0.368 8.719 4.469 1.00 0.00 C ATOM 714 CG GLU A 43 -0.372 9.197 5.922 1.00 0.00 C ATOM 715 CD GLU A 43 -0.990 10.592 6.039 1.00 0.00 C ATOM 716 OE1 GLU A 43 -2.010 10.820 5.354 1.00 0.00 O ATOM 717 OE2 GLU A 43 -0.428 11.399 6.811 1.00 0.00 O ATOM 0 H GLU A 43 1.249 7.182 5.846 1.00 0.00 H new ATOM 0 HA GLU A 43 0.972 7.933 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.690 9.529 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.085 7.907 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.933 8.494 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.648 9.214 6.306 1.00 0.00 H new ATOM 724 N ASP A 44 2.251 10.061 3.052 1.00 0.00 N ATOM 725 CA ASP A 44 3.196 11.165 3.014 1.00 0.00 C ATOM 726 C ASP A 44 4.579 10.661 3.430 1.00 0.00 C ATOM 727 O ASP A 44 5.023 10.910 4.550 1.00 0.00 O ATOM 728 CB ASP A 44 2.786 12.275 3.983 1.00 0.00 C ATOM 729 CG ASP A 44 3.891 13.276 4.325 1.00 0.00 C ATOM 730 OD1 ASP A 44 4.895 13.289 3.581 1.00 0.00 O ATOM 731 OD2 ASP A 44 3.707 14.005 5.323 1.00 0.00 O ATOM 0 H ASP A 44 1.777 9.874 2.168 1.00 0.00 H new ATOM 0 HA ASP A 44 3.211 11.561 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.944 12.819 3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.432 11.818 4.907 1.00 0.00 H new ATOM 736 N PRO A 45 5.239 9.942 2.483 1.00 0.00 N ATOM 737 CA PRO A 45 4.641 9.692 1.182 1.00 0.00 C ATOM 738 C PRO A 45 3.546 8.627 1.277 1.00 0.00 C ATOM 739 O PRO A 45 3.402 7.971 2.308 1.00 0.00 O ATOM 740 CB PRO A 45 5.799 9.275 0.291 1.00 0.00 C ATOM 741 CG PRO A 45 6.919 8.858 1.230 1.00 0.00 C ATOM 742 CD PRO A 45 6.566 9.350 2.624 1.00 0.00 C ATOM 0 HA PRO A 45 4.138 10.569 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.511 8.452 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.114 10.098 -0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.037 7.774 1.226 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.868 9.283 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.560 8.531 3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.290 10.082 2.981 1.00 0.00 H new ATOM 750 N ALA A 46 2.803 8.489 0.189 1.00 0.00 N ATOM 751 CA ALA A 46 1.726 7.515 0.137 1.00 0.00 C ATOM 752 C ALA A 46 2.244 6.222 -0.496 1.00 0.00 C ATOM 753 O ALA A 46 2.287 6.099 -1.719 1.00 0.00 O ATOM 754 CB ALA A 46 0.541 8.106 -0.629 1.00 0.00 C ATOM 0 H ALA A 46 2.925 9.035 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 46 1.377 7.273 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.267 7.376 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.193 9.006 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.852 8.358 -1.643 1.00 0.00 H new ATOM 760 N TYR A 47 2.624 5.290 0.366 1.00 0.00 N ATOM 761 CA TYR A 47 3.137 4.011 -0.094 1.00 0.00 C ATOM 762 C TYR A 47 2.710 2.880 0.844 1.00 0.00 C ATOM 763 O TYR A 47 2.315 3.128 1.982 1.00 0.00 O ATOM 764 CB TYR A 47 4.662 4.133 -0.064 1.00 0.00 C ATOM 765 CG TYR A 47 5.271 4.643 -1.372 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.019 3.980 -2.555 1.00 0.00 C ATOM 767 CD2 TYR A 47 6.072 5.767 -1.367 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.593 4.461 -3.786 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.645 6.248 -2.598 1.00 0.00 C ATOM 770 CZ TYR A 47 6.377 5.571 -3.746 1.00 0.00 C ATOM 771 OH TYR A 47 6.919 6.024 -4.909 1.00 0.00 O ATOM 0 H TYR A 47 2.587 5.395 1.380 1.00 0.00 H new ATOM 0 HA TYR A 47 2.755 3.780 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.947 4.807 0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.090 3.158 0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.392 3.101 -2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.269 6.286 -0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.405 3.951 -4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.273 7.126 -2.609 1.00 0.00 H new ATOM 0 HH TYR A 47 7.455 6.825 -4.730 1.00 0.00 H new ATOM 781 N LEU A 48 2.802 1.662 0.331 1.00 0.00 N ATOM 782 CA LEU A 48 2.430 0.492 1.108 1.00 0.00 C ATOM 783 C LEU A 48 3.548 -0.549 1.021 1.00 0.00 C ATOM 784 O LEU A 48 3.771 -1.139 -0.034 1.00 0.00 O ATOM 785 CB LEU A 48 1.064 -0.034 0.663 1.00 0.00 C ATOM 786 CG LEU A 48 0.683 -1.425 1.173 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.347 -2.518 0.333 1.00 0.00 C ATOM 788 CD2 LEU A 48 1.004 -1.571 2.661 1.00 0.00 C ATOM 0 H LEU A 48 3.129 1.460 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 48 2.318 0.753 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.301 0.673 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.040 -0.049 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.395 -1.545 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.060 -3.497 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.025 -2.426 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.430 -2.411 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.723 -2.569 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.072 -1.422 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.446 -0.826 3.228 1.00 0.00 H new ATOM 800 N HIS A 49 4.221 -0.743 2.146 1.00 0.00 N ATOM 801 CA HIS A 49 5.310 -1.702 2.211 1.00 0.00 C ATOM 802 C HIS A 49 4.852 -2.948 2.972 1.00 0.00 C ATOM 803 O HIS A 49 4.199 -2.841 4.009 1.00 0.00 O ATOM 804 CB HIS A 49 6.561 -1.064 2.817 1.00 0.00 C ATOM 805 CG HIS A 49 7.191 -0.002 1.948 1.00 0.00 C ATOM 806 ND1 HIS A 49 7.431 1.286 2.394 1.00 0.00 N ATOM 807 CD2 HIS A 49 7.629 -0.050 0.657 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.988 1.974 1.407 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.109 1.144 0.332 1.00 0.00 N ATOM 0 H HIS A 49 4.033 -0.252 3.020 1.00 0.00 H new ATOM 0 HA HIS A 49 5.584 -2.014 1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.302 -0.624 3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.297 -1.844 3.011 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.592 -0.913 0.009 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.292 3.009 1.447 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.504 1.399 -0.573 1.00 0.00 H new ATOM 817 N TYR A 50 5.212 -4.101 2.427 1.00 0.00 N ATOM 818 CA TYR A 50 4.846 -5.366 3.042 1.00 0.00 C ATOM 819 C TYR A 50 6.073 -6.260 3.227 1.00 0.00 C ATOM 820 O TYR A 50 6.740 -6.614 2.256 1.00 0.00 O ATOM 821 CB TYR A 50 3.878 -6.042 2.069 1.00 0.00 C ATOM 822 CG TYR A 50 4.378 -6.087 0.624 1.00 0.00 C ATOM 823 CD1 TYR A 50 5.136 -7.155 0.188 1.00 0.00 C ATOM 824 CD2 TYR A 50 4.071 -5.059 -0.245 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.607 -7.197 -1.172 1.00 0.00 C ATOM 826 CE2 TYR A 50 4.541 -5.101 -1.605 1.00 0.00 C ATOM 827 CZ TYR A 50 5.286 -6.168 -2.002 1.00 0.00 C ATOM 828 OH TYR A 50 5.730 -6.208 -3.286 1.00 0.00 O ATOM 0 H TYR A 50 5.753 -4.186 1.567 1.00 0.00 H new ATOM 0 HA TYR A 50 4.404 -5.203 4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.689 -7.060 2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.924 -5.515 2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.376 -7.960 0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.478 -4.223 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.202 -8.027 -1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.307 -4.303 -2.295 1.00 0.00 H new ATOM 0 HH TYR A 50 5.550 -5.349 -3.721 1.00 0.00 H new ATOM 838 N TYR A 51 6.334 -6.601 4.480 1.00 0.00 N ATOM 839 CA TYR A 51 7.469 -7.448 4.805 1.00 0.00 C ATOM 840 C TYR A 51 7.006 -8.828 5.278 1.00 0.00 C ATOM 841 O TYR A 51 5.879 -8.982 5.746 1.00 0.00 O ATOM 842 CB TYR A 51 8.202 -6.749 5.952 1.00 0.00 C ATOM 843 CG TYR A 51 8.351 -5.237 5.765 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.294 -4.399 6.058 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.541 -4.713 5.305 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.434 -2.977 5.882 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.681 -3.290 5.130 1.00 0.00 C ATOM 848 CZ TYR A 51 8.620 -2.492 5.427 1.00 0.00 C ATOM 849 OH TYR A 51 8.752 -1.149 5.261 1.00 0.00 O ATOM 0 H TYR A 51 5.779 -6.306 5.283 1.00 0.00 H new ATOM 0 HA TYR A 51 8.103 -7.593 3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.666 -6.939 6.882 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.193 -7.191 6.060 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.363 -4.810 6.419 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.368 -5.369 5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.615 -2.310 6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.607 -2.866 4.771 1.00 0.00 H new ATOM 0 HH TYR A 51 9.653 -0.947 4.932 1.00 0.00 H new ATOM 859 N ASP A 52 7.900 -9.796 5.140 1.00 0.00 N ATOM 860 CA ASP A 52 7.597 -11.157 5.547 1.00 0.00 C ATOM 861 C ASP A 52 7.251 -11.174 7.037 1.00 0.00 C ATOM 862 O ASP A 52 7.892 -10.492 7.835 1.00 0.00 O ATOM 863 CB ASP A 52 8.801 -12.077 5.331 1.00 0.00 C ATOM 864 CG ASP A 52 8.529 -13.564 5.568 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.169 -13.899 6.717 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.687 -14.332 4.594 1.00 0.00 O ATOM 0 H ASP A 52 8.834 -9.665 4.752 1.00 0.00 H new ATOM 0 HA ASP A 52 6.760 -11.511 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.160 -11.947 4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.605 -11.760 5.995 1.00 0.00 H new ATOM 871 N PRO A 53 6.210 -11.982 7.376 1.00 0.00 N ATOM 872 CA PRO A 53 5.771 -12.097 8.757 1.00 0.00 C ATOM 873 C PRO A 53 6.744 -12.950 9.573 1.00 0.00 C ATOM 874 O PRO A 53 7.142 -12.565 10.671 1.00 0.00 O ATOM 875 CB PRO A 53 4.377 -12.698 8.677 1.00 0.00 C ATOM 876 CG PRO A 53 4.272 -13.326 7.297 1.00 0.00 C ATOM 877 CD PRO A 53 5.428 -12.804 6.458 1.00 0.00 C ATOM 0 HA PRO A 53 5.748 -11.137 9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.228 -13.444 9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.613 -11.933 8.817 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.312 -14.413 7.368 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.319 -13.072 6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.024 -13.622 6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.070 -12.220 5.610 1.00 0.00 H new ATOM 885 N ALA A 54 7.100 -14.093 9.004 1.00 0.00 N ATOM 886 CA ALA A 54 8.019 -15.003 9.665 1.00 0.00 C ATOM 887 C ALA A 54 9.247 -14.226 10.140 1.00 0.00 C ATOM 888 O ALA A 54 9.812 -14.531 11.189 1.00 0.00 O ATOM 889 CB ALA A 54 8.383 -16.143 8.711 1.00 0.00 C ATOM 0 H ALA A 54 6.768 -14.409 8.093 1.00 0.00 H new ATOM 0 HA ALA A 54 7.552 -15.449 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.073 -16.826 9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.479 -16.682 8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.857 -15.734 7.819 1.00 0.00 H new ATOM 895 N GLY A 55 9.625 -13.235 9.345 1.00 0.00 N ATOM 896 CA GLY A 55 10.776 -12.411 9.672 1.00 0.00 C ATOM 897 C GLY A 55 11.420 -11.842 8.405 1.00 0.00 C ATOM 898 O GLY A 55 11.398 -12.479 7.353 1.00 0.00 O ATOM 0 H GLY A 55 9.154 -12.985 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.470 -11.595 10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.508 -13.003 10.222 1.00 0.00 H new ATOM 902 N ALA A 56 11.979 -10.649 8.549 1.00 0.00 N ATOM 903 CA ALA A 56 12.628 -9.988 7.430 1.00 0.00 C ATOM 904 C ALA A 56 13.175 -8.635 7.890 1.00 0.00 C ATOM 905 O ALA A 56 13.129 -8.314 9.077 1.00 0.00 O ATOM 906 CB ALA A 56 11.636 -9.852 6.272 1.00 0.00 C ATOM 0 H ALA A 56 11.996 -10.124 9.423 1.00 0.00 H new ATOM 0 HA ALA A 56 13.470 -10.580 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.123 -9.356 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.299 -10.842 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.779 -9.261 6.595 1.00 0.00 H new ATOM 912 N GLU A 57 13.681 -7.879 6.927 1.00 0.00 N ATOM 913 CA GLU A 57 14.237 -6.568 7.219 1.00 0.00 C ATOM 914 C GLU A 57 13.768 -5.549 6.179 1.00 0.00 C ATOM 915 O GLU A 57 13.090 -4.580 6.516 1.00 0.00 O ATOM 916 CB GLU A 57 15.765 -6.623 7.284 1.00 0.00 C ATOM 917 CG GLU A 57 16.234 -7.445 8.486 1.00 0.00 C ATOM 918 CD GLU A 57 15.729 -6.837 9.796 1.00 0.00 C ATOM 919 OE1 GLU A 57 15.674 -5.590 9.860 1.00 0.00 O ATOM 920 OE2 GLU A 57 15.409 -7.634 10.705 1.00 0.00 O ATOM 0 H GLU A 57 13.718 -8.149 5.944 1.00 0.00 H new ATOM 0 HA GLU A 57 13.876 -6.251 8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.156 -7.060 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.166 -5.612 7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.873 -8.469 8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.323 -7.490 8.498 1.00 0.00 H new ATOM 927 N ASP A 58 14.148 -5.803 4.935 1.00 0.00 N ATOM 928 CA ASP A 58 13.775 -4.920 3.844 1.00 0.00 C ATOM 929 C ASP A 58 12.371 -5.282 3.357 1.00 0.00 C ATOM 930 O ASP A 58 11.903 -6.398 3.577 1.00 0.00 O ATOM 931 CB ASP A 58 14.737 -5.067 2.663 1.00 0.00 C ATOM 932 CG ASP A 58 15.070 -6.509 2.276 1.00 0.00 C ATOM 933 OD1 ASP A 58 14.377 -7.411 2.795 1.00 0.00 O ATOM 934 OD2 ASP A 58 16.011 -6.678 1.470 1.00 0.00 O ATOM 0 H ASP A 58 14.710 -6.608 4.659 1.00 0.00 H new ATOM 0 HA ASP A 58 13.810 -3.895 4.213 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.305 -4.565 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.665 -4.548 2.903 1.00 0.00 H new ATOM 939 N PRO A 59 11.721 -4.292 2.688 1.00 0.00 N ATOM 940 CA PRO A 59 10.379 -4.496 2.169 1.00 0.00 C ATOM 941 C PRO A 59 10.403 -5.374 0.916 1.00 0.00 C ATOM 942 O PRO A 59 11.205 -5.148 0.011 1.00 0.00 O ATOM 943 CB PRO A 59 9.843 -3.098 1.905 1.00 0.00 C ATOM 944 CG PRO A 59 11.060 -2.190 1.845 1.00 0.00 C ATOM 945 CD PRO A 59 12.244 -2.958 2.410 1.00 0.00 C ATOM 0 HA PRO A 59 9.734 -5.030 2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.284 -3.064 0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.161 -2.785 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.258 -1.885 0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.886 -1.280 2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.068 -2.996 1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.627 -2.486 3.315 1.00 0.00 H new ATOM 953 N LEU A 60 9.515 -6.357 0.904 1.00 0.00 N ATOM 954 CA LEU A 60 9.425 -7.270 -0.223 1.00 0.00 C ATOM 955 C LEU A 60 9.169 -6.471 -1.502 1.00 0.00 C ATOM 956 O LEU A 60 9.565 -6.888 -2.589 1.00 0.00 O ATOM 957 CB LEU A 60 8.377 -8.351 0.047 1.00 0.00 C ATOM 958 CG LEU A 60 8.688 -9.316 1.193 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.411 -9.713 1.937 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.460 -10.537 0.688 1.00 0.00 C ATOM 0 H LEU A 60 8.852 -6.541 1.656 1.00 0.00 H new ATOM 0 HA LEU A 60 10.368 -7.799 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.426 -7.862 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.241 -8.933 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 60 9.331 -8.802 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.660 -10.399 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.938 -8.822 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.724 -10.201 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.668 -11.207 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.863 -11.062 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.399 -10.214 0.239 1.00 0.00 H new ATOM 972 N GLY A 61 8.508 -5.335 -1.330 1.00 0.00 N ATOM 973 CA GLY A 61 8.194 -4.474 -2.457 1.00 0.00 C ATOM 974 C GLY A 61 7.463 -3.212 -1.995 1.00 0.00 C ATOM 975 O GLY A 61 7.298 -2.988 -0.797 1.00 0.00 O ATOM 0 H GLY A 61 8.181 -4.991 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.112 -4.198 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.575 -5.016 -3.172 1.00 0.00 H new ATOM 979 N ALA A 62 7.043 -2.419 -2.971 1.00 0.00 N ATOM 980 CA ALA A 62 6.333 -1.185 -2.680 1.00 0.00 C ATOM 981 C ALA A 62 5.166 -1.031 -3.657 1.00 0.00 C ATOM 982 O ALA A 62 5.225 -1.523 -4.783 1.00 0.00 O ATOM 983 CB ALA A 62 7.308 -0.008 -2.745 1.00 0.00 C ATOM 0 H ALA A 62 7.181 -2.608 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 62 5.918 -1.209 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.776 0.918 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.101 -0.152 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.742 0.050 -3.743 1.00 0.00 H new ATOM 989 N ILE A 63 4.133 -0.344 -3.191 1.00 0.00 N ATOM 990 CA ILE A 63 2.954 -0.119 -4.010 1.00 0.00 C ATOM 991 C ILE A 63 2.624 1.375 -4.021 1.00 0.00 C ATOM 992 O ILE A 63 2.308 1.952 -2.981 1.00 0.00 O ATOM 993 CB ILE A 63 1.797 -1.001 -3.538 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.283 -2.413 -3.208 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.661 -1.010 -4.563 1.00 0.00 C ATOM 996 CD1 ILE A 63 1.187 -3.222 -2.512 1.00 0.00 C ATOM 0 H ILE A 63 4.088 0.064 -2.257 1.00 0.00 H new ATOM 0 HA ILE A 63 3.146 -0.411 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 63 1.397 -0.576 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.588 -2.920 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.162 -2.358 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.149 -1.644 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.291 0.005 -4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.031 -1.397 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.559 -4.222 -2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.902 -2.725 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.318 -3.296 -3.166 1.00 0.00 H new ATOM 1008 N HIS A 64 2.709 1.959 -5.207 1.00 0.00 N ATOM 1009 CA HIS A 64 2.423 3.375 -5.367 1.00 0.00 C ATOM 1010 C HIS A 64 0.976 3.655 -4.957 1.00 0.00 C ATOM 1011 O HIS A 64 0.053 2.999 -5.437 1.00 0.00 O ATOM 1012 CB HIS A 64 2.736 3.835 -6.792 1.00 0.00 C ATOM 1013 CG HIS A 64 3.043 5.309 -6.908 1.00 0.00 C ATOM 1014 ND1 HIS A 64 3.824 6.120 -6.138 1.00 0.00 N flip ATOM 1015 CD2 HIS A 64 2.520 6.107 -7.910 1.00 0.00 C flip ATOM 1016 CE1 HIS A 64 3.781 7.346 -6.642 1.00 0.00 C flip ATOM 1017 NE2 HIS A 64 2.973 7.341 -7.741 1.00 0.00 N flip ATOM 0 H HIS A 64 2.972 1.477 -6.067 1.00 0.00 H new ATOM 0 HA HIS A 64 3.069 3.957 -4.710 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.587 3.266 -7.168 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.887 3.600 -7.434 1.00 0.00 H new ATOM 0 HD1 HIS A 64 4.352 5.832 -5.314 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.856 5.780 -8.696 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.300 8.207 -6.247 1.00 0.00 H new ATOM 1025 N LEU A 65 0.823 4.632 -4.075 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.496 5.008 -3.596 1.00 0.00 C ATOM 1027 C LEU A 65 -0.844 6.404 -4.116 1.00 0.00 C ATOM 1028 O LEU A 65 -2.005 6.811 -4.085 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.568 4.884 -2.073 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.311 3.488 -1.501 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.276 3.520 0.028 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.334 2.481 -2.030 1.00 0.00 C ATOM 0 H LEU A 65 1.591 5.175 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.251 4.325 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.156 5.572 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.555 5.212 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 65 0.671 3.156 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.092 2.515 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.521 4.186 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.232 3.882 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.128 1.497 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.337 2.796 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.267 2.431 -3.117 1.00 0.00 H new ATOM 1044 N ARG A 66 0.182 7.100 -4.583 1.00 0.00 N ATOM 1045 CA ARG A 66 -0.001 8.442 -5.109 1.00 0.00 C ATOM 1046 C ARG A 66 -1.225 8.491 -6.024 1.00 0.00 C ATOM 1047 O ARG A 66 -2.188 9.203 -5.742 1.00 0.00 O ATOM 1048 CB ARG A 66 1.232 8.900 -5.892 1.00 0.00 C ATOM 1049 CG ARG A 66 1.399 10.418 -5.813 1.00 0.00 C ATOM 1050 CD ARG A 66 1.513 11.030 -7.211 1.00 0.00 C ATOM 1051 NE ARG A 66 2.325 12.267 -7.157 1.00 0.00 N ATOM 1052 CZ ARG A 66 2.469 13.116 -8.184 1.00 0.00 C ATOM 1053 NH1 ARG A 66 1.858 12.867 -9.350 1.00 0.00 N ATOM 1054 NH2 ARG A 66 3.226 14.213 -8.044 1.00 0.00 N ATOM 0 H ARG A 66 1.143 6.760 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.149 9.112 -4.262 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.122 8.412 -5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.139 8.595 -6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.548 10.854 -5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.289 10.660 -5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.970 10.314 -7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.520 11.254 -7.601 1.00 0.00 H new ATOM 0 HE ARG A 66 2.805 12.487 -6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.283 12.031 -9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.968 13.513 -10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.692 14.401 -7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.336 14.860 -8.825 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.150 7.725 -7.102 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.240 7.672 -8.061 1.00 0.00 C ATOM 1070 C GLY A 67 -2.841 6.266 -8.131 1.00 0.00 C ATOM 1071 O GLY A 67 -3.026 5.720 -9.218 1.00 0.00 O ATOM 0 H GLY A 67 -0.350 7.135 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.012 8.388 -7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.877 7.966 -9.046 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.128 5.721 -6.958 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.704 4.390 -6.873 1.00 0.00 C ATOM 1077 C CYS A 68 -5.224 4.530 -6.764 1.00 0.00 C ATOM 1078 O CYS A 68 -5.745 5.642 -6.700 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.119 3.595 -5.704 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.794 4.220 -4.122 1.00 0.00 S ATOM 0 H CYS A 68 -2.972 6.177 -6.059 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.456 3.825 -7.772 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.357 2.537 -5.818 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.032 3.679 -5.704 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.202 5.334 -3.808 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.892 3.386 -6.747 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.341 3.367 -6.647 1.00 0.00 C ATOM 1088 C VAL A 69 -7.767 2.255 -5.686 1.00 0.00 C ATOM 1089 O VAL A 69 -7.126 1.207 -5.620 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.960 3.223 -8.039 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.486 3.308 -7.973 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.394 4.270 -9.001 1.00 0.00 C ATOM 0 H VAL A 69 -5.456 2.465 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.708 4.309 -6.238 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.696 2.237 -8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.900 3.203 -8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.868 2.509 -7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.779 4.273 -7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.850 4.146 -9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.613 5.268 -8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.315 4.142 -9.084 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.847 2.521 -4.965 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.366 1.556 -4.011 1.00 0.00 C ATOM 1104 C VAL A 70 -10.703 1.013 -4.518 1.00 0.00 C ATOM 1105 O VAL A 70 -11.518 1.762 -5.055 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.467 2.195 -2.624 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.331 1.344 -1.691 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -8.079 2.428 -2.025 1.00 0.00 C ATOM 0 H VAL A 70 -9.376 3.391 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.687 0.709 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.950 3.166 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.387 1.820 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.334 1.252 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.888 0.353 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.180 2.883 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.558 1.475 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.509 3.092 -2.675 1.00 0.00 H new ATOM 1118 N THR A 71 -10.888 -0.285 -4.330 1.00 0.00 N ATOM 1119 CA THR A 71 -12.112 -0.937 -4.762 1.00 0.00 C ATOM 1120 C THR A 71 -12.320 -2.244 -3.994 1.00 0.00 C ATOM 1121 O THR A 71 -11.456 -2.660 -3.224 1.00 0.00 O ATOM 1122 CB THR A 71 -12.036 -1.130 -6.278 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.395 -1.071 -6.704 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.585 -2.539 -6.668 1.00 0.00 C ATOM 0 H THR A 71 -10.210 -0.903 -3.884 1.00 0.00 H new ATOM 0 HA THR A 71 -12.985 -0.323 -4.541 1.00 0.00 H new ATOM 0 HB THR A 71 -11.348 -0.398 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.438 -1.185 -7.676 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.548 -2.622 -7.754 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.594 -2.731 -6.256 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.291 -3.269 -6.272 1.00 0.00 H new ATOM 1132 N SER A 72 -13.472 -2.855 -4.229 1.00 0.00 N ATOM 1133 CA SER A 72 -13.805 -4.106 -3.569 1.00 0.00 C ATOM 1134 C SER A 72 -13.888 -5.235 -4.598 1.00 0.00 C ATOM 1135 O SER A 72 -14.078 -4.983 -5.787 1.00 0.00 O ATOM 1136 CB SER A 72 -15.123 -3.989 -2.800 1.00 0.00 C ATOM 1137 OG SER A 72 -15.552 -2.636 -2.679 1.00 0.00 O ATOM 0 H SER A 72 -14.187 -2.507 -4.868 1.00 0.00 H new ATOM 0 HA SER A 72 -13.017 -4.335 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.893 -4.569 -3.309 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.003 -4.421 -1.807 1.00 0.00 H new ATOM 0 HG SER A 72 -16.397 -2.604 -2.184 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.741 -6.455 -4.103 1.00 0.00 N ATOM 1144 CA VAL A 73 -13.798 -7.624 -4.965 1.00 0.00 C ATOM 1145 C VAL A 73 -15.230 -8.159 -4.998 1.00 0.00 C ATOM 1146 O VAL A 73 -16.171 -7.447 -4.651 1.00 0.00 O ATOM 1147 CB VAL A 73 -12.780 -8.667 -4.499 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.382 -8.056 -4.383 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.212 -9.302 -3.176 1.00 0.00 C ATOM 0 H VAL A 73 -13.583 -6.660 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.527 -7.359 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.740 -9.455 -5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.678 -8.819 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.070 -7.674 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.401 -7.240 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.471 -10.040 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.295 -8.529 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.178 -9.790 -3.305 1.00 0.00 H new ATOM 1159 N GLU A 74 -15.351 -9.410 -5.417 1.00 0.00 N ATOM 1160 CA GLU A 74 -16.653 -10.050 -5.500 1.00 0.00 C ATOM 1161 C GLU A 74 -16.589 -11.462 -4.915 1.00 0.00 C ATOM 1162 O GLU A 74 -16.576 -12.444 -5.655 1.00 0.00 O ATOM 1163 CB GLU A 74 -17.161 -10.076 -6.943 1.00 0.00 C ATOM 1164 CG GLU A 74 -18.462 -10.873 -7.052 1.00 0.00 C ATOM 1165 CD GLU A 74 -18.342 -11.978 -8.103 1.00 0.00 C ATOM 1166 OE1 GLU A 74 -17.902 -11.649 -9.225 1.00 0.00 O ATOM 1167 OE2 GLU A 74 -18.694 -13.128 -7.760 1.00 0.00 O ATOM 0 H GLU A 74 -14.568 -9.998 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.361 -9.466 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.324 -9.057 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.404 -10.518 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.706 -11.312 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -19.282 -10.204 -7.315 1.00 0.00 H new ATOM 1174 N SER A 75 -16.551 -11.519 -3.592 1.00 0.00 N ATOM 1175 CA SER A 75 -16.489 -12.795 -2.899 1.00 0.00 C ATOM 1176 C SER A 75 -17.863 -13.146 -2.325 1.00 0.00 C ATOM 1177 O SER A 75 -18.540 -12.290 -1.758 1.00 0.00 O ATOM 1178 CB SER A 75 -15.440 -12.767 -1.786 1.00 0.00 C ATOM 1179 OG SER A 75 -14.124 -12.986 -2.287 1.00 0.00 O ATOM 0 H SER A 75 -16.562 -10.702 -2.981 1.00 0.00 H new ATOM 0 HA SER A 75 -16.196 -13.561 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 75 -15.478 -11.804 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 75 -15.677 -13.530 -1.045 1.00 0.00 H new ATOM 0 HG SER A 75 -13.983 -13.945 -2.429 1.00 0.00 H new ATOM 1185 N ASN A 76 -18.233 -14.407 -2.491 1.00 0.00 N ATOM 1186 CA ASN A 76 -19.514 -14.883 -1.996 1.00 0.00 C ATOM 1187 C ASN A 76 -19.291 -16.116 -1.119 1.00 0.00 C ATOM 1188 O ASN A 76 -18.786 -17.134 -1.590 1.00 0.00 O ATOM 1189 CB ASN A 76 -20.436 -15.283 -3.149 1.00 0.00 C ATOM 1190 CG ASN A 76 -21.797 -14.594 -3.027 1.00 0.00 C ATOM 1191 OD1 ASN A 76 -21.935 -13.397 -3.218 1.00 0.00 O ATOM 1192 ND2 ASN A 76 -22.791 -15.414 -2.699 1.00 0.00 N ATOM 0 H ASN A 76 -17.668 -15.114 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 76 -19.977 -14.076 -1.428 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -19.973 -15.016 -4.099 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -20.571 -16.365 -3.153 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -23.738 -15.051 -2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -22.606 -16.407 -2.553 1.00 0.00 H new ATOM 1199 N SER A 77 -19.679 -15.985 0.141 1.00 0.00 N ATOM 1200 CA SER A 77 -19.528 -17.077 1.088 1.00 0.00 C ATOM 1201 C SER A 77 -20.104 -16.674 2.447 1.00 0.00 C ATOM 1202 O SER A 77 -20.262 -15.487 2.731 1.00 0.00 O ATOM 1203 CB SER A 77 -18.060 -17.482 1.232 1.00 0.00 C ATOM 1204 OG SER A 77 -17.919 -18.827 1.681 1.00 0.00 O ATOM 0 H SER A 77 -20.098 -15.139 0.528 1.00 0.00 H new ATOM 0 HA SER A 77 -20.078 -17.938 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 77 -17.556 -17.365 0.273 1.00 0.00 H new ATOM 0 HB3 SER A 77 -17.566 -16.811 1.935 1.00 0.00 H new ATOM 0 HG SER A 77 -17.424 -19.345 1.012 1.00 0.00 H new ATOM 1210 N ASN A 78 -20.401 -17.684 3.252 1.00 0.00 N ATOM 1211 CA ASN A 78 -20.955 -17.450 4.574 1.00 0.00 C ATOM 1212 C ASN A 78 -21.261 -18.793 5.239 1.00 0.00 C ATOM 1213 O ASN A 78 -21.698 -19.733 4.577 1.00 0.00 O ATOM 1214 CB ASN A 78 -22.260 -16.655 4.492 1.00 0.00 C ATOM 1215 CG ASN A 78 -22.210 -15.423 5.398 1.00 0.00 C ATOM 1216 OD1 ASN A 78 -21.214 -14.724 5.484 1.00 0.00 O ATOM 1217 ND2 ASN A 78 -23.337 -15.198 6.066 1.00 0.00 N ATOM 0 H ASN A 78 -20.268 -18.667 3.013 1.00 0.00 H new ATOM 0 HA ASN A 78 -20.223 -16.884 5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -22.438 -16.346 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -23.096 -17.291 4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -23.405 -14.400 6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -24.134 -15.824 5.947 1.00 0.00 H new ATOM 1224 N GLY A 79 -21.018 -18.842 6.541 1.00 0.00 N ATOM 1225 CA GLY A 79 -21.262 -20.054 7.303 1.00 0.00 C ATOM 1226 C GLY A 79 -19.970 -20.852 7.493 1.00 0.00 C ATOM 1227 O GLY A 79 -18.884 -20.365 7.181 1.00 0.00 O ATOM 0 H GLY A 79 -20.654 -18.061 7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -21.682 -19.798 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -22.001 -20.669 6.789 1.00 0.00 H new ATOM 1231 N ARG A 80 -20.130 -22.064 8.004 1.00 0.00 N ATOM 1232 CA ARG A 80 -18.990 -22.933 8.239 1.00 0.00 C ATOM 1233 C ARG A 80 -17.984 -22.812 7.092 1.00 0.00 C ATOM 1234 O ARG A 80 -16.871 -22.328 7.287 1.00 0.00 O ATOM 1235 CB ARG A 80 -19.428 -24.393 8.372 1.00 0.00 C ATOM 1236 CG ARG A 80 -19.804 -24.723 9.818 1.00 0.00 C ATOM 1237 CD ARG A 80 -18.914 -25.837 10.374 1.00 0.00 C ATOM 1238 NE ARG A 80 -19.722 -26.768 11.194 1.00 0.00 N ATOM 1239 CZ ARG A 80 -19.225 -27.845 11.816 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -17.921 -28.134 11.717 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -20.033 -28.634 12.539 1.00 0.00 N ATOM 0 H ARG A 80 -21.032 -22.464 8.262 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.522 -22.620 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -20.280 -24.582 7.719 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -18.622 -25.050 8.043 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -19.705 -23.831 10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -20.849 -25.029 9.865 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -18.440 -26.378 9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -18.114 -25.408 10.978 1.00 0.00 H new ATOM 0 HE ARG A 80 -20.719 -26.577 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -17.306 -27.534 11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -17.543 -28.954 12.191 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -21.026 -28.414 12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.655 -29.454 13.013 1.00 0.00 H new ATOM 1255 N LYS A 81 -18.414 -23.261 5.922 1.00 0.00 N ATOM 1256 CA LYS A 81 -17.565 -23.209 4.743 1.00 0.00 C ATOM 1257 C LYS A 81 -17.106 -21.767 4.514 1.00 0.00 C ATOM 1258 O LYS A 81 -17.920 -20.845 4.521 1.00 0.00 O ATOM 1259 CB LYS A 81 -18.281 -23.826 3.540 1.00 0.00 C ATOM 1260 CG LYS A 81 -18.243 -25.354 3.603 1.00 0.00 C ATOM 1261 CD LYS A 81 -19.528 -25.909 4.220 1.00 0.00 C ATOM 1262 CE LYS A 81 -19.220 -26.780 5.439 1.00 0.00 C ATOM 1263 NZ LYS A 81 -18.789 -28.131 5.016 1.00 0.00 N ATOM 0 H LYS A 81 -19.338 -23.662 5.765 1.00 0.00 H new ATOM 0 HA LYS A 81 -16.668 -23.809 4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.316 -23.485 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -17.810 -23.485 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -18.112 -25.760 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -17.384 -25.676 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -20.180 -25.086 4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.068 -26.495 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -18.438 -26.314 6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -20.104 -26.856 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.584 -28.709 5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -19.547 -28.580 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.933 -28.055 4.431 1.00 0.00 H new ATOM 1277 N SER A 82 -15.805 -21.619 4.315 1.00 0.00 N ATOM 1278 CA SER A 82 -15.228 -20.306 4.084 1.00 0.00 C ATOM 1279 C SER A 82 -14.195 -20.379 2.957 1.00 0.00 C ATOM 1280 O SER A 82 -12.997 -20.485 3.214 1.00 0.00 O ATOM 1281 CB SER A 82 -14.585 -19.754 5.358 1.00 0.00 C ATOM 1282 OG SER A 82 -15.381 -18.737 5.960 1.00 0.00 O ATOM 0 H SER A 82 -15.134 -22.387 4.309 1.00 0.00 H new ATOM 0 HA SER A 82 -16.029 -19.628 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.435 -20.566 6.070 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.600 -19.351 5.122 1.00 0.00 H new ATOM 0 HG SER A 82 -14.937 -18.412 6.771 1.00 0.00 H new ATOM 1288 N GLU A 83 -14.698 -20.319 1.733 1.00 0.00 N ATOM 1289 CA GLU A 83 -13.834 -20.377 0.566 1.00 0.00 C ATOM 1290 C GLU A 83 -12.982 -19.109 0.472 1.00 0.00 C ATOM 1291 O GLU A 83 -11.758 -19.184 0.386 1.00 0.00 O ATOM 1292 CB GLU A 83 -14.650 -20.584 -0.711 1.00 0.00 C ATOM 1293 CG GLU A 83 -15.414 -21.910 -0.665 1.00 0.00 C ATOM 1294 CD GLU A 83 -16.180 -22.147 -1.967 1.00 0.00 C ATOM 1295 OE1 GLU A 83 -15.505 -22.236 -3.015 1.00 0.00 O ATOM 1296 OE2 GLU A 83 -17.425 -22.234 -1.886 1.00 0.00 O ATOM 0 H GLU A 83 -15.692 -20.231 1.524 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.167 -21.232 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.352 -19.760 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.987 -20.572 -1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.716 -22.730 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.109 -21.904 0.174 1.00 0.00 H new ATOM 1303 N GLU A 84 -13.665 -17.973 0.493 1.00 0.00 N ATOM 1304 CA GLU A 84 -12.987 -16.691 0.411 1.00 0.00 C ATOM 1305 C GLU A 84 -13.616 -15.695 1.387 1.00 0.00 C ATOM 1306 O GLU A 84 -14.812 -15.417 1.311 1.00 0.00 O ATOM 1307 CB GLU A 84 -13.011 -16.148 -1.019 1.00 0.00 C ATOM 1308 CG GLU A 84 -12.170 -17.022 -1.952 1.00 0.00 C ATOM 1309 CD GLU A 84 -12.795 -17.097 -3.346 1.00 0.00 C ATOM 1310 OE1 GLU A 84 -12.681 -16.087 -4.074 1.00 0.00 O ATOM 1311 OE2 GLU A 84 -13.375 -18.161 -3.652 1.00 0.00 O ATOM 0 H GLU A 84 -14.681 -17.915 0.566 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.944 -16.835 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.039 -16.109 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.630 -15.127 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.161 -16.617 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.082 -18.025 -1.535 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.782 -15.183 2.281 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.243 -14.224 3.270 1.00 0.00 C ATOM 1320 C GLU A 85 -13.481 -12.861 2.617 1.00 0.00 C ATOM 1321 O GLU A 85 -13.859 -12.786 1.448 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.249 -14.110 4.427 1.00 0.00 C ATOM 1323 CG GLU A 85 -11.664 -15.479 4.784 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.011 -15.452 6.167 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -11.775 -15.466 7.156 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -9.762 -15.419 6.205 1.00 0.00 O ATOM 0 H GLU A 85 -11.790 -15.414 2.341 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.189 -14.580 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.445 -13.427 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.747 -13.685 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.452 -16.232 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.927 -15.770 4.035 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.250 -11.817 3.399 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.435 -10.461 2.911 1.00 0.00 C ATOM 1335 C ASN A 86 -12.152 -9.992 2.222 1.00 0.00 C ATOM 1336 O ASN A 86 -11.119 -9.829 2.869 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.732 -9.497 4.062 1.00 0.00 C ATOM 1338 CG ASN A 86 -15.027 -9.883 4.779 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -16.125 -9.621 4.316 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.838 -10.518 5.932 1.00 0.00 N ATOM 0 H ASN A 86 -12.936 -11.883 4.367 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.275 -10.464 2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.904 -9.504 4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.814 -8.480 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.640 -10.817 6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.891 -10.706 6.262 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.259 -9.788 0.917 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.121 -9.341 0.133 1.00 0.00 C ATOM 1349 C LEU A 87 -11.495 -8.063 -0.620 1.00 0.00 C ATOM 1350 O LEU A 87 -12.670 -7.710 -0.704 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.622 -10.466 -0.776 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.373 -11.795 -0.673 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.426 -12.502 -2.029 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.766 -12.685 0.413 1.00 0.00 C ATOM 0 H LEU A 87 -13.117 -9.924 0.383 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.284 -9.093 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.674 -10.121 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.571 -10.647 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.401 -11.584 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.965 -13.444 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.939 -11.866 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.412 -12.700 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.318 -13.623 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.723 -12.891 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.824 -12.176 1.375 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.474 -7.405 -1.149 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.681 -6.173 -1.891 1.00 0.00 C ATOM 1368 C PHE A 88 -9.549 -5.940 -2.893 1.00 0.00 C ATOM 1369 O PHE A 88 -8.419 -6.372 -2.670 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.688 -5.032 -0.873 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.480 -5.029 0.066 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.260 -4.643 -0.396 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.625 -5.411 1.363 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.139 -4.641 0.475 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.504 -5.409 2.234 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.285 -5.023 1.772 1.00 0.00 C ATOM 0 H PHE A 88 -9.501 -7.702 -1.078 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.617 -6.227 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.723 -4.082 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.598 -5.096 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.144 -4.338 -1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.594 -5.716 1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.170 -4.336 0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.620 -5.714 3.264 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.433 -5.020 2.435 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.891 -5.257 -3.976 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.917 -4.961 -5.013 1.00 0.00 C ATOM 1388 C GLU A 89 -8.404 -3.528 -4.866 1.00 0.00 C ATOM 1389 O GLU A 89 -9.175 -2.616 -4.569 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.510 -5.192 -6.404 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.504 -4.824 -7.497 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.220 -4.443 -8.795 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.629 -3.267 -8.893 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.340 -5.338 -9.659 1.00 0.00 O ATOM 0 H GLU A 89 -10.829 -4.900 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.073 -5.641 -4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.802 -6.237 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.415 -4.595 -6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.885 -3.992 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.836 -5.666 -7.680 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.106 -3.372 -5.080 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.481 -2.065 -4.975 1.00 0.00 C ATOM 1403 C ILE A 90 -5.595 -1.828 -6.200 1.00 0.00 C ATOM 1404 O ILE A 90 -4.516 -2.408 -6.311 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.739 -1.931 -3.644 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.711 -2.012 -2.465 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.901 -0.651 -3.610 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.955 -2.070 -1.135 1.00 0.00 C ATOM 0 H ILE A 90 -6.469 -4.130 -5.326 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.238 -1.280 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.049 -2.770 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.373 -1.146 -2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.341 -2.895 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.384 -0.580 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.169 -0.674 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.552 0.214 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.669 -2.127 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.313 -2.950 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.345 -1.174 -1.024 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.083 -0.974 -7.088 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.348 -0.654 -8.300 1.00 0.00 C ATOM 1422 C ILE A 91 -4.328 0.445 -7.997 1.00 0.00 C ATOM 1423 O ILE A 91 -4.578 1.318 -7.167 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.313 -0.302 -9.434 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.466 -1.306 -9.505 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.572 -0.185 -10.767 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.812 -0.588 -9.611 1.00 0.00 C ATOM 0 H ILE A 91 -6.978 -0.494 -6.992 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.788 -1.522 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.749 0.674 -9.221 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.330 -1.961 -10.366 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.457 -1.939 -8.618 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.281 0.066 -11.556 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.816 0.597 -10.696 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.090 -1.135 -11.000 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.614 -1.324 -9.660 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.955 0.047 -8.737 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.827 0.026 -10.512 1.00 0.00 H new ATOM 1439 N THR A 92 -3.199 0.367 -8.687 1.00 0.00 N ATOM 1440 CA THR A 92 -2.140 1.345 -8.502 1.00 0.00 C ATOM 1441 C THR A 92 -1.997 2.218 -9.750 1.00 0.00 C ATOM 1442 O THR A 92 -2.662 1.981 -10.758 1.00 0.00 O ATOM 1443 CB THR A 92 -0.860 0.591 -8.138 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.584 -0.202 -9.289 1.00 0.00 O ATOM 1445 CG2 THR A 92 -1.080 -0.434 -7.024 1.00 0.00 C ATOM 0 H THR A 92 -2.995 -0.358 -9.375 1.00 0.00 H new ATOM 0 HA THR A 92 -2.373 2.032 -7.688 1.00 0.00 H new ATOM 0 HB THR A 92 -0.095 1.304 -7.829 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.382 -0.347 -9.362 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.140 -0.941 -6.805 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.436 0.074 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.821 -1.167 -7.345 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.125 3.210 -9.643 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.886 4.120 -10.750 1.00 0.00 C ATOM 1455 C ALA A 93 -0.395 3.325 -11.961 1.00 0.00 C ATOM 1456 O ALA A 93 -0.483 3.795 -13.094 1.00 0.00 O ATOM 1457 CB ALA A 93 0.109 5.199 -10.318 1.00 0.00 C ATOM 0 H ALA A 93 -0.575 3.403 -8.806 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.808 4.624 -11.039 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.288 5.882 -11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.300 5.754 -9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.048 4.731 -10.024 1.00 0.00 H new ATOM 1463 N ASP A 94 0.113 2.133 -11.680 1.00 0.00 N ATOM 1464 CA ASP A 94 0.618 1.268 -12.732 1.00 0.00 C ATOM 1465 C ASP A 94 -0.503 0.342 -13.208 1.00 0.00 C ATOM 1466 O ASP A 94 -0.305 -0.460 -14.119 1.00 0.00 O ATOM 1467 CB ASP A 94 1.768 0.396 -12.224 1.00 0.00 C ATOM 1468 CG ASP A 94 2.510 -0.391 -13.305 1.00 0.00 C ATOM 1469 OD1 ASP A 94 1.969 -1.441 -13.716 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.602 0.075 -13.698 1.00 0.00 O ATOM 0 H ASP A 94 0.185 1.747 -10.739 1.00 0.00 H new ATOM 0 HA ASP A 94 0.976 1.900 -13.544 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.484 1.032 -11.704 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.374 -0.307 -11.490 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.655 0.485 -12.570 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.808 -0.329 -12.917 1.00 0.00 C ATOM 1477 C GLU A 95 -2.700 -1.708 -12.264 1.00 0.00 C ATOM 1478 O GLU A 95 -3.568 -2.559 -12.454 1.00 0.00 O ATOM 1479 CB GLU A 95 -2.957 -0.451 -14.435 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.623 0.872 -15.127 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.396 1.016 -16.439 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.540 -0.017 -17.129 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.826 2.154 -16.723 1.00 0.00 O ATOM 0 H GLU A 95 -1.815 1.152 -11.815 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.703 0.163 -12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.299 -1.236 -14.807 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.977 -0.747 -14.681 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.865 1.704 -14.465 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.552 0.923 -15.324 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.627 -1.888 -11.509 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.394 -3.149 -10.826 1.00 0.00 C ATOM 1492 C VAL A 96 -2.535 -3.410 -9.842 1.00 0.00 C ATOM 1493 O VAL A 96 -2.910 -2.527 -9.072 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.018 -3.136 -10.157 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.281 -4.481 -9.493 1.00 0.00 C ATOM 1496 CG2 VAL A 96 1.076 -2.763 -11.159 1.00 0.00 C ATOM 0 H VAL A 96 -0.908 -1.181 -11.355 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.386 -3.973 -11.539 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.031 -2.374 -9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.265 -4.445 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.474 -4.688 -8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.266 -5.270 -10.245 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.044 -2.761 -10.657 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.089 -3.490 -11.971 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.876 -1.771 -11.564 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.057 -4.627 -9.899 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.149 -5.015 -9.023 1.00 0.00 C ATOM 1508 C HIS A 97 -3.621 -5.943 -7.926 1.00 0.00 C ATOM 1509 O HIS A 97 -2.706 -6.730 -8.162 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.295 -5.636 -9.824 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.661 -4.866 -11.070 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -6.861 -4.189 -11.207 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -4.974 -4.671 -12.231 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -6.884 -3.618 -12.402 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.714 -3.918 -13.036 1.00 0.00 N ATOM 0 H HIS A 97 -2.743 -5.357 -10.539 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.561 -4.131 -8.537 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.019 -6.652 -10.105 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.174 -5.710 -9.184 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.993 -5.063 -12.458 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.688 -3.020 -12.804 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.451 -3.614 -13.974 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.221 -5.819 -6.751 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.823 -6.636 -5.618 1.00 0.00 C ATOM 1525 C TYR A 98 -5.041 -7.075 -4.804 1.00 0.00 C ATOM 1526 O TYR A 98 -5.915 -6.264 -4.501 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.936 -5.745 -4.746 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.546 -5.489 -5.331 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.620 -6.511 -5.386 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.217 -4.234 -5.804 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.688 -6.269 -5.937 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.092 -3.992 -6.355 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.980 -5.022 -6.394 1.00 0.00 C ATOM 1534 OH TYR A 98 2.215 -4.794 -6.914 1.00 0.00 O ATOM 0 H TYR A 98 -4.980 -5.165 -6.560 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.308 -7.536 -5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.437 -4.789 -4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.827 -6.207 -3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.877 -7.493 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.941 -3.434 -5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.421 -7.061 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.362 -3.015 -6.729 1.00 0.00 H new ATOM 0 HH TYR A 98 2.281 -3.859 -7.202 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.061 -8.358 -4.471 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.158 -8.914 -3.698 1.00 0.00 C ATOM 1546 C PHE A 99 -5.707 -9.259 -2.277 1.00 0.00 C ATOM 1547 O PHE A 99 -4.946 -10.204 -2.075 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.598 -10.197 -4.406 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.210 -9.966 -5.789 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.510 -9.584 -5.902 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -6.453 -10.143 -6.905 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -9.078 -9.369 -7.186 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -7.021 -9.929 -8.189 1.00 0.00 C ATOM 1554 CZ PHE A 99 -8.321 -9.546 -8.302 1.00 0.00 C ATOM 0 H PHE A 99 -4.334 -9.028 -4.723 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.969 -8.189 -3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.737 -10.858 -4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.325 -10.714 -3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.111 -9.444 -5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.420 -10.446 -6.815 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.110 -9.065 -7.276 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.421 -10.070 -9.076 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.753 -9.382 -9.278 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.196 -8.473 -1.329 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.853 -8.683 0.068 1.00 0.00 C ATOM 1566 C LEU A 100 -7.101 -9.128 0.833 1.00 0.00 C ATOM 1567 O LEU A 100 -8.165 -8.526 0.698 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.188 -7.434 0.650 1.00 0.00 C ATOM 1569 CG LEU A 100 -4.047 -6.836 -0.175 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.975 -7.887 -0.470 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.577 -6.183 -1.453 1.00 0.00 C ATOM 0 H LEU A 100 -6.827 -7.690 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.117 -9.482 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.952 -6.669 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.804 -7.679 1.640 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.574 -6.051 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.175 -7.436 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.568 -8.264 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.417 -8.710 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.745 -5.766 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.090 -6.931 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.274 -5.386 -1.193 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.929 -10.180 1.620 1.00 0.00 N ATOM 1584 CA GLN A 101 -8.028 -10.714 2.407 1.00 0.00 C ATOM 1585 C GLN A 101 -7.966 -10.175 3.838 1.00 0.00 C ATOM 1586 O GLN A 101 -6.956 -10.332 4.521 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.018 -12.243 2.397 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.118 -12.805 3.299 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.556 -13.853 4.262 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.284 -13.586 5.421 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.398 -15.057 3.719 1.00 0.00 N ATOM 0 H GLN A 101 -6.045 -10.677 1.730 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.965 -10.387 1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.158 -12.604 1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.047 -12.606 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.578 -11.995 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.902 -13.251 2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.646 -15.212 2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.029 -15.825 4.280 1.00 0.00 H new ATOM 1600 N ALA A 102 -9.061 -9.551 4.249 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.144 -8.988 5.586 1.00 0.00 C ATOM 1602 C ALA A 102 -9.810 -10.000 6.520 1.00 0.00 C ATOM 1603 O ALA A 102 -10.849 -10.567 6.187 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.898 -7.658 5.534 1.00 0.00 C ATOM 0 H ALA A 102 -9.898 -9.423 3.680 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.148 -8.783 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.960 -7.236 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.368 -6.965 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.903 -7.825 5.147 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.183 -10.197 7.671 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.702 -11.131 8.656 1.00 0.00 C ATOM 1612 C ALA A 103 -11.203 -10.894 8.836 1.00 0.00 C ATOM 1613 O ALA A 103 -12.011 -11.785 8.582 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.926 -10.976 9.965 1.00 0.00 C ATOM 0 H ALA A 103 -8.320 -9.726 7.943 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.569 -12.159 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.315 -11.676 10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.870 -11.183 9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.039 -9.957 10.336 1.00 0.00 H new ATOM 1620 N THR A 104 -11.530 -9.687 9.274 1.00 0.00 N ATOM 1621 CA THR A 104 -12.919 -9.321 9.491 1.00 0.00 C ATOM 1622 C THR A 104 -13.396 -8.361 8.399 1.00 0.00 C ATOM 1623 O THR A 104 -12.588 -7.834 7.636 1.00 0.00 O ATOM 1624 CB THR A 104 -13.041 -8.743 10.903 1.00 0.00 C ATOM 1625 OG1 THR A 104 -12.604 -7.394 10.764 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.037 -9.362 11.877 1.00 0.00 C ATOM 0 H THR A 104 -10.857 -8.950 9.484 1.00 0.00 H new ATOM 0 HA THR A 104 -13.572 -10.191 9.422 1.00 0.00 H new ATOM 0 HB THR A 104 -14.053 -8.903 11.275 1.00 0.00 H new ATOM 0 HG1 THR A 104 -12.652 -6.943 11.633 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.166 -8.917 12.864 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.205 -10.437 11.939 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.023 -9.173 11.523 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.740 -8.159 8.357 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.333 -7.272 7.371 1.00 0.00 C ATOM 1636 C PRO A 105 -15.089 -5.806 7.735 1.00 0.00 C ATOM 1637 O PRO A 105 -15.279 -4.918 6.906 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.808 -7.641 7.348 1.00 0.00 C ATOM 1639 CG PRO A 105 -17.071 -8.391 8.643 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.727 -8.767 9.245 1.00 0.00 C ATOM 0 HA PRO A 105 -14.891 -7.387 6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.432 -6.750 7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -17.042 -8.262 6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.639 -7.770 9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.667 -9.283 8.453 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.630 -8.390 10.263 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.603 -9.849 9.293 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.671 -5.599 8.975 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.399 -4.256 9.458 1.00 0.00 C ATOM 1650 C LYS A 106 -13.043 -3.791 8.923 1.00 0.00 C ATOM 1651 O LYS A 106 -12.927 -2.686 8.394 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.509 -4.203 10.983 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.480 -2.758 11.485 1.00 0.00 C ATOM 1654 CD LYS A 106 -14.637 -2.702 13.006 1.00 0.00 C ATOM 1655 CE LYS A 106 -15.042 -1.300 13.464 1.00 0.00 C ATOM 1656 NZ LYS A 106 -15.414 -1.309 14.897 1.00 0.00 N ATOM 0 H LYS A 106 -14.514 -6.339 9.660 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.147 -3.557 9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.434 -4.684 11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.688 -4.764 11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.540 -2.288 11.195 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.280 -2.189 11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.389 -3.424 13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.699 -2.987 13.483 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.218 -0.606 13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.882 -0.944 12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.686 -0.349 15.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.215 -1.956 15.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.603 -1.628 15.464 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.053 -4.657 9.078 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.710 -4.349 8.617 1.00 0.00 C ATOM 1672 C GLU A 107 -10.719 -4.054 7.116 1.00 0.00 C ATOM 1673 O GLU A 107 -10.170 -3.045 6.675 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.743 -5.488 8.945 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.291 -5.008 8.890 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.911 -4.265 10.172 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.705 -3.389 10.578 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.833 -4.589 10.718 1.00 0.00 O ATOM 0 H GLU A 107 -12.154 -5.572 9.517 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.363 -3.459 9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.962 -5.881 9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.886 -6.306 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.627 -5.861 8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.153 -4.352 8.031 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.349 -4.951 6.372 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.437 -4.799 4.930 1.00 0.00 C ATOM 1687 C ARG A 108 -11.870 -3.376 4.571 1.00 0.00 C ATOM 1688 O ARG A 108 -11.328 -2.773 3.647 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.432 -5.795 4.330 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.704 -5.480 2.858 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.177 -5.131 2.634 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.891 -6.293 2.060 1.00 0.00 N ATOM 1693 CZ ARG A 108 -16.208 -6.320 1.817 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.963 -5.249 2.098 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -16.771 -7.418 1.294 1.00 0.00 N ATOM 0 H ARG A 108 -11.804 -5.786 6.741 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.449 -4.997 4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.039 -6.807 4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.366 -5.764 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.077 -4.648 2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.432 -6.338 2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.638 -4.841 3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.259 -4.276 1.963 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.346 -7.126 1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.535 -4.414 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.966 -5.269 1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.197 -8.233 1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.774 -7.438 1.109 1.00 0.00 H new ATOM 1709 N THR A 109 -12.844 -2.882 5.321 1.00 0.00 N ATOM 1710 CA THR A 109 -13.357 -1.542 5.094 1.00 0.00 C ATOM 1711 C THR A 109 -12.354 -0.497 5.587 1.00 0.00 C ATOM 1712 O THR A 109 -12.172 0.542 4.953 1.00 0.00 O ATOM 1713 CB THR A 109 -14.725 -1.438 5.772 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.640 -1.883 4.775 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.138 0.012 6.036 1.00 0.00 C ATOM 0 H THR A 109 -13.291 -3.386 6.087 1.00 0.00 H new ATOM 0 HA THR A 109 -13.489 -1.344 4.030 1.00 0.00 H new ATOM 0 HB THR A 109 -14.707 -1.988 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.553 -1.850 5.130 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.115 0.030 6.518 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.404 0.487 6.687 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.189 0.553 5.091 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.729 -0.807 6.714 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.749 0.092 7.299 1.00 0.00 C ATOM 1725 C GLU A 110 -9.551 0.253 6.361 1.00 0.00 C ATOM 1726 O GLU A 110 -9.157 1.373 6.039 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.305 -0.403 8.676 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.433 -0.261 9.700 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.875 0.025 11.096 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.365 1.151 11.283 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -10.969 -0.889 11.943 1.00 0.00 O ATOM 0 H GLU A 110 -11.883 -1.669 7.237 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.214 1.069 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.999 -1.447 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.435 0.164 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.102 0.546 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.026 -1.175 9.722 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.005 -0.881 5.950 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.859 -0.880 5.056 1.00 0.00 C ATOM 1740 C TRP A 111 -8.168 0.066 3.894 1.00 0.00 C ATOM 1741 O TRP A 111 -7.461 1.052 3.687 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.520 -2.299 4.597 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.450 -2.989 5.446 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.554 -4.136 6.132 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.102 -2.526 5.673 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.376 -4.444 6.782 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.466 -3.435 6.494 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.443 -1.378 5.201 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.138 -3.289 6.914 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.117 -1.247 5.630 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.461 -2.152 6.456 1.00 0.00 C ATOM 0 H TRP A 111 -9.335 -1.808 6.219 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.968 -0.521 5.571 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.428 -2.902 4.615 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.181 -2.264 3.562 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.447 -4.742 6.171 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.205 -5.262 7.366 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.922 -0.654 4.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.662 -4.014 7.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.565 -0.381 5.295 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.434 -1.979 6.743 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.224 -0.266 3.166 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.634 0.542 2.030 1.00 0.00 C ATOM 1764 C ILE A 112 -9.479 2.023 2.381 1.00 0.00 C ATOM 1765 O ILE A 112 -8.709 2.738 1.742 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.047 0.160 1.584 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -11.009 -0.949 0.531 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.818 1.388 1.095 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -12.060 -2.021 0.825 1.00 0.00 C ATOM 0 H ILE A 112 -9.808 -1.084 3.341 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.990 0.348 1.172 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.583 -0.234 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.185 -0.523 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.018 -1.402 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.819 1.089 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.891 2.117 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.294 1.834 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -12.011 -2.797 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.867 -2.462 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -13.052 -1.569 0.820 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.224 2.439 3.395 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.179 3.822 3.838 1.00 0.00 C ATOM 1783 C LYS A 113 -8.741 4.187 4.213 1.00 0.00 C ATOM 1784 O LYS A 113 -8.300 5.311 3.978 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.186 4.057 4.965 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.552 3.463 4.613 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.639 4.540 4.631 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.559 4.369 5.841 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.796 5.673 6.500 1.00 0.00 N ATOM 0 H LYS A 113 -10.862 1.843 3.922 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.478 4.490 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.817 3.608 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.287 5.126 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.509 3.001 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.804 2.675 5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.178 5.527 4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.225 4.486 3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.508 3.937 5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.112 3.672 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.422 5.539 7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -13.889 6.071 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.243 6.327 5.826 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.049 3.215 4.789 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.670 3.419 5.199 1.00 0.00 C ATOM 1805 C ALA A 114 -5.837 3.832 3.983 1.00 0.00 C ATOM 1806 O ALA A 114 -5.170 4.865 4.005 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.140 2.147 5.864 1.00 0.00 C ATOM 0 H ALA A 114 -8.418 2.284 4.982 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.603 4.222 5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.106 2.301 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.747 1.913 6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.189 1.319 5.157 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.903 3.003 2.952 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.164 3.268 1.730 1.00 0.00 C ATOM 1815 C ILE A 115 -5.622 4.604 1.142 1.00 0.00 C ATOM 1816 O ILE A 115 -4.801 5.406 0.699 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.293 2.092 0.759 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.453 0.901 1.226 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.941 2.518 -0.668 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.341 -0.303 1.545 1.00 0.00 C ATOM 0 H ILE A 115 -6.457 2.147 2.938 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.099 3.361 1.942 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.334 1.768 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.734 0.632 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.880 1.180 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.041 1.664 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.617 3.311 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.914 2.883 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.720 -1.136 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.043 -0.038 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.894 -0.594 0.652 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.932 4.803 1.157 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.509 6.028 0.630 1.00 0.00 C ATOM 1834 C GLN A 116 -6.931 7.243 1.359 1.00 0.00 C ATOM 1835 O GLN A 116 -6.500 8.205 0.725 1.00 0.00 O ATOM 1836 CB GLN A 116 -9.035 6.003 0.732 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.610 4.759 0.051 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.594 5.145 -1.055 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -11.582 4.272 -1.229 1.00 0.00 O flip ATOM 1840 NE2 GLN A 116 -10.464 6.168 -1.708 1.00 0.00 N flip ATOM 0 H GLN A 116 -7.610 4.136 1.526 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.249 6.104 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.333 6.019 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.449 6.899 0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.800 4.163 -0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.114 4.136 0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.681 6.795 -1.523 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -11.138 6.395 -2.439 1.00 0.00 H new ATOM 1849 N MET A 117 -6.940 7.159 2.681 1.00 0.00 N ATOM 1850 CA MET A 117 -6.422 8.240 3.503 1.00 0.00 C ATOM 1851 C MET A 117 -5.015 8.642 3.057 1.00 0.00 C ATOM 1852 O MET A 117 -4.713 9.828 2.935 1.00 0.00 O ATOM 1853 CB MET A 117 -6.387 7.797 4.967 1.00 0.00 C ATOM 1854 CG MET A 117 -4.969 7.887 5.533 1.00 0.00 C ATOM 1855 SD MET A 117 -4.994 7.589 7.293 1.00 0.00 S ATOM 1856 CE MET A 117 -5.691 5.946 7.319 1.00 0.00 C ATOM 0 H MET A 117 -7.298 6.359 3.204 1.00 0.00 H new ATOM 0 HA MET A 117 -7.079 9.103 3.391 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.058 8.422 5.556 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.751 6.773 5.050 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.325 7.157 5.041 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.549 8.872 5.328 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.646 5.548 8.333 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.730 5.986 6.990 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.124 5.299 6.650 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.191 7.630 2.826 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.822 7.863 2.397 1.00 0.00 C ATOM 1868 C ALA A 118 -2.823 8.347 0.945 1.00 0.00 C ATOM 1869 O ALA A 118 -2.434 9.480 0.665 1.00 0.00 O ATOM 1870 CB ALA A 118 -2.004 6.584 2.584 1.00 0.00 C ATOM 0 H ALA A 118 -4.445 6.647 2.928 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.356 8.640 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.977 6.758 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.011 6.298 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.440 5.783 1.987 1.00 0.00 H new ATOM 1876 N SER A 119 -3.265 7.465 0.061 1.00 0.00 N ATOM 1877 CA SER A 119 -3.322 7.789 -1.354 1.00 0.00 C ATOM 1878 C SER A 119 -3.926 9.181 -1.549 1.00 0.00 C ATOM 1879 O SER A 119 -3.539 9.907 -2.463 1.00 0.00 O ATOM 1880 CB SER A 119 -4.133 6.746 -2.126 1.00 0.00 C ATOM 1881 OG SER A 119 -5.469 6.642 -1.640 1.00 0.00 O ATOM 0 H SER A 119 -3.587 6.526 0.297 1.00 0.00 H new ATOM 0 HA SER A 119 -2.305 7.783 -1.747 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.151 7.011 -3.183 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.643 5.776 -2.049 1.00 0.00 H new ATOM 0 HG SER A 119 -5.465 6.203 -0.764 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.866 9.511 -0.675 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.527 10.803 -0.739 1.00 0.00 C ATOM 1889 C ARG A 120 -4.511 11.930 -0.544 1.00 0.00 C ATOM 1890 O ARG A 120 -4.531 12.922 -1.271 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.617 10.918 0.328 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.952 10.379 -0.191 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.537 11.303 -1.261 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.862 10.804 -1.691 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.779 11.552 -2.319 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.520 12.837 -2.595 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.955 11.015 -2.672 1.00 0.00 N ATOM 0 H ARG A 120 -5.185 8.906 0.081 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.987 10.891 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.319 10.365 1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.732 11.961 0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.809 9.381 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.656 10.283 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.631 12.315 -0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.863 11.355 -2.116 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.092 9.829 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.625 13.246 -2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.218 13.407 -3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.152 10.036 -2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.653 11.585 -3.150 1.00 0.00 H new ATOM 1911 N THR A 121 -3.646 11.740 0.442 1.00 0.00 N ATOM 1912 CA THR A 121 -2.624 12.728 0.742 1.00 0.00 C ATOM 1913 C THR A 121 -2.064 13.325 -0.550 1.00 0.00 C ATOM 1914 O THR A 121 -1.976 12.640 -1.568 1.00 0.00 O ATOM 1915 CB THR A 121 -1.560 12.057 1.613 1.00 0.00 C ATOM 1916 OG1 THR A 121 -0.938 13.141 2.298 1.00 0.00 O ATOM 1917 CG2 THR A 121 -0.429 11.441 0.786 1.00 0.00 C ATOM 0 H THR A 121 -3.632 10.916 1.043 1.00 0.00 H new ATOM 0 HA THR A 121 -3.038 13.569 1.299 1.00 0.00 H new ATOM 0 HB THR A 121 -2.026 11.284 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.235 12.796 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 121 0.299 10.978 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 121 -0.838 10.686 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 121 0.059 12.220 0.200 1.00 0.00 H new ATOM 1925 N GLY A 122 -1.700 14.596 -0.467 1.00 0.00 N ATOM 1926 CA GLY A 122 -1.150 15.294 -1.617 1.00 0.00 C ATOM 1927 C GLY A 122 0.338 14.984 -1.787 1.00 0.00 C ATOM 1928 O GLY A 122 0.720 14.221 -2.674 1.00 0.00 O ATOM 0 H GLY A 122 -1.775 15.161 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.691 15.002 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.290 16.368 -1.496 1.00 0.00 H new ATOM 1932 N LYS A 123 1.139 15.591 -0.924 1.00 0.00 N ATOM 1933 CA LYS A 123 2.577 15.389 -0.967 1.00 0.00 C ATOM 1934 C LYS A 123 3.125 15.939 -2.286 1.00 0.00 C ATOM 1935 O LYS A 123 3.057 15.271 -3.317 1.00 0.00 O ATOM 1936 CB LYS A 123 2.919 13.918 -0.725 1.00 0.00 C ATOM 1937 CG LYS A 123 4.425 13.677 -0.851 1.00 0.00 C ATOM 1938 CD LYS A 123 5.179 14.285 0.333 1.00 0.00 C ATOM 1939 CE LYS A 123 6.048 15.462 -0.116 1.00 0.00 C ATOM 1940 NZ LYS A 123 7.338 14.977 -0.656 1.00 0.00 N ATOM 0 H LYS A 123 0.819 16.223 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 123 3.064 15.942 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 123 2.581 13.621 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 123 2.386 13.294 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 123 4.622 12.606 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 123 4.790 14.112 -1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 123 4.468 14.621 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.804 13.524 0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 123 5.523 16.040 -0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.228 16.131 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 7.916 15.788 -0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.844 14.445 0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 7.162 14.357 -1.472 1.00 0.00 H new ATOM 1954 N SER A 124 3.656 17.150 -2.210 1.00 0.00 N ATOM 1955 CA SER A 124 4.216 17.797 -3.385 1.00 0.00 C ATOM 1956 C SER A 124 5.482 18.567 -3.005 1.00 0.00 C ATOM 1957 O SER A 124 6.547 18.338 -3.576 1.00 0.00 O ATOM 1958 CB SER A 124 3.198 18.737 -4.033 1.00 0.00 C ATOM 1959 OG SER A 124 2.476 18.100 -5.084 1.00 0.00 O ATOM 0 H SER A 124 3.711 17.701 -1.353 1.00 0.00 H new ATOM 0 HA SER A 124 4.472 17.025 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.499 19.091 -3.276 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.713 19.613 -4.426 1.00 0.00 H new ATOM 0 HG SER A 124 1.835 18.733 -5.471 1.00 0.00 H new ATOM 1965 N GLY A 125 5.325 19.464 -2.043 1.00 0.00 N ATOM 1966 CA GLY A 125 6.442 20.269 -1.580 1.00 0.00 C ATOM 1967 C GLY A 125 6.281 20.634 -0.103 1.00 0.00 C ATOM 1968 O GLY A 125 5.758 19.844 0.682 1.00 0.00 O ATOM 0 H GLY A 125 4.440 19.651 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 125 7.373 19.721 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 125 6.512 21.178 -2.177 1.00 0.00 H new ATOM 1972 N PRO A 126 6.752 21.863 0.241 1.00 0.00 N ATOM 1973 CA PRO A 126 6.665 22.342 1.610 1.00 0.00 C ATOM 1974 C PRO A 126 5.234 22.756 1.956 1.00 0.00 C ATOM 1975 O PRO A 126 4.599 23.495 1.205 1.00 0.00 O ATOM 1976 CB PRO A 126 7.652 23.495 1.686 1.00 0.00 C ATOM 1977 CG PRO A 126 7.912 23.918 0.250 1.00 0.00 C ATOM 1978 CD PRO A 126 7.378 22.825 -0.662 1.00 0.00 C ATOM 0 HA PRO A 126 6.914 21.573 2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 126 7.243 24.321 2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 126 8.576 23.186 2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 126 7.420 24.867 0.037 1.00 0.00 H new ATOM 0 HG3 PRO A 126 8.979 24.067 0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 126 6.659 23.223 -1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 126 8.180 22.363 -1.239 1.00 0.00 H new ATOM 1986 N SER A 127 4.767 22.262 3.093 1.00 0.00 N ATOM 1987 CA SER A 127 3.422 22.572 3.548 1.00 0.00 C ATOM 1988 C SER A 127 3.419 23.901 4.306 1.00 0.00 C ATOM 1989 O SER A 127 4.375 24.219 5.011 1.00 0.00 O ATOM 1990 CB SER A 127 2.870 21.454 4.435 1.00 0.00 C ATOM 1991 OG SER A 127 1.704 21.863 5.145 1.00 0.00 O ATOM 0 H SER A 127 5.296 21.649 3.713 1.00 0.00 H new ATOM 0 HA SER A 127 2.777 22.658 2.674 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.634 20.586 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.636 21.143 5.145 1.00 0.00 H new ATOM 0 HG SER A 127 1.381 21.122 5.699 1.00 0.00 H new ATOM 1997 N SER A 128 2.334 24.641 4.133 1.00 0.00 N ATOM 1998 CA SER A 128 2.194 25.928 4.792 1.00 0.00 C ATOM 1999 C SER A 128 2.172 25.740 6.310 1.00 0.00 C ATOM 2000 O SER A 128 1.835 24.664 6.801 1.00 0.00 O ATOM 2001 CB SER A 128 0.926 26.649 4.328 1.00 0.00 C ATOM 2002 OG SER A 128 1.152 28.039 4.109 1.00 0.00 O ATOM 0 H SER A 128 1.544 24.374 3.546 1.00 0.00 H new ATOM 0 HA SER A 128 3.051 26.545 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 128 0.565 26.191 3.407 1.00 0.00 H new ATOM 0 HB3 SER A 128 0.143 26.522 5.075 1.00 0.00 H new ATOM 0 HG SER A 128 0.320 28.463 3.812 1.00 0.00 H new ATOM 2008 N GLY A 129 2.536 26.803 7.012 1.00 0.00 N ATOM 2009 CA GLY A 129 2.563 26.769 8.464 1.00 0.00 C ATOM 2010 C GLY A 129 3.945 26.359 8.978 1.00 0.00 C ATOM 2011 O GLY A 129 4.957 26.643 8.339 1.00 0.00 O ATOM 0 H GLY A 129 2.815 27.694 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 129 2.301 27.750 8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.813 26.068 8.829 1.00 0.00 H new TER 2015 GLY A 129