USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 915 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 90 ASN :FLIP amide:sc= -1.12 F(o=-1.8,f=-0.99) USER MOD Set 1.2: A 94 SER OG : rot -160:sc= 0.135 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 158:sc=-0.00589 (180deg=-0.381) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 153:sc= -0.808 (180deg=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.526 USER MOD Single : A 25 SER OG : rot 32:sc= 0.0983 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.85) USER MOD Single : A 32 SER OG : rot -44:sc= -2.37! USER MOD Single : A 37 GLN :FLIP amide:sc= -0.264 F(o=-1.1,f=-0.26) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.28 K(o=-0.28,f=-1.2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -65:sc= 0.273 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -163:sc= 0 (180deg=-0.373) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= -1.48 F(o=-2.3!,f=-1.5) USER MOD Single : A 85 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.1!) USER MOD Single : A 87 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.7!) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0375 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 57:sc= 1.32 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -83:sc= 1.16 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 2.831 -19.670 -2.807 1.00 0.00 N ATOM 2 CA LYS A 11 2.641 -18.245 -3.076 1.00 0.00 C ATOM 3 C LYS A 11 2.433 -17.461 -1.782 1.00 0.00 C ATOM 4 O LYS A 11 2.985 -16.374 -1.612 1.00 0.00 O ATOM 5 CB LYS A 11 1.459 -18.022 -4.027 1.00 0.00 C ATOM 6 CG LYS A 11 0.114 -18.467 -3.467 1.00 0.00 C ATOM 7 CD LYS A 11 -0.822 -18.934 -4.570 1.00 0.00 C ATOM 8 CE LYS A 11 -1.104 -20.426 -4.472 1.00 0.00 C ATOM 9 NZ LYS A 11 -1.219 -21.062 -5.814 1.00 0.00 N ATOM 0 HA LYS A 11 3.548 -17.877 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.403 -16.962 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.649 -18.559 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.266 -19.275 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.346 -17.642 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.760 -18.381 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.381 -18.710 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.306 -20.910 -3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.028 -20.584 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.411 -22.078 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.997 -20.619 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.329 -20.934 -6.336 1.00 0.00 H new ATOM 23 N MET A 12 1.639 -18.025 -0.872 1.00 0.00 N ATOM 24 CA MET A 12 1.360 -17.385 0.412 1.00 0.00 C ATOM 25 C MET A 12 2.649 -17.153 1.198 1.00 0.00 C ATOM 26 O MET A 12 2.846 -16.085 1.779 1.00 0.00 O ATOM 27 CB MET A 12 0.391 -18.238 1.238 1.00 0.00 C ATOM 28 CG MET A 12 -1.074 -17.984 0.917 1.00 0.00 C ATOM 29 SD MET A 12 -1.972 -17.240 2.292 1.00 0.00 S ATOM 30 CE MET A 12 -1.425 -15.538 2.176 1.00 0.00 C ATOM 0 H MET A 12 1.177 -18.925 -1.001 1.00 0.00 H new ATOM 0 HA MET A 12 0.898 -16.418 0.211 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.613 -19.292 1.069 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.561 -18.043 2.297 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.143 -17.330 0.048 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.550 -18.926 0.645 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.896 -14.950 2.964 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.342 -15.495 2.290 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.704 -15.132 1.204 1.00 0.00 H new ATOM 40 N LYS A 13 3.529 -18.158 1.205 1.00 0.00 N ATOM 41 CA LYS A 13 4.803 -18.057 1.915 1.00 0.00 C ATOM 42 C LYS A 13 5.654 -16.923 1.346 1.00 0.00 C ATOM 43 O LYS A 13 6.297 -16.187 2.093 1.00 0.00 O ATOM 44 CB LYS A 13 5.572 -19.380 1.844 1.00 0.00 C ATOM 45 CG LYS A 13 6.425 -19.654 3.074 1.00 0.00 C ATOM 46 CD LYS A 13 7.100 -21.017 3.002 1.00 0.00 C ATOM 47 CE LYS A 13 8.397 -21.041 3.801 1.00 0.00 C ATOM 48 NZ LYS A 13 8.551 -22.299 4.588 1.00 0.00 N ATOM 0 H LYS A 13 3.382 -19.047 0.728 1.00 0.00 H new ATOM 0 HA LYS A 13 4.586 -17.837 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.862 -20.197 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.213 -19.372 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.184 -18.877 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.802 -19.604 3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.422 -21.780 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.308 -21.267 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.242 -20.934 3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.421 -20.186 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.447 -22.271 5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.759 -22.390 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.555 -23.114 3.942 1.00 0.00 H new ATOM 62 N LYS A 14 5.647 -16.783 0.022 1.00 0.00 N ATOM 63 CA LYS A 14 6.414 -15.731 -0.638 1.00 0.00 C ATOM 64 C LYS A 14 5.898 -14.347 -0.249 1.00 0.00 C ATOM 65 O LYS A 14 6.686 -13.429 -0.023 1.00 0.00 O ATOM 66 CB LYS A 14 6.367 -15.899 -2.160 1.00 0.00 C ATOM 67 CG LYS A 14 7.094 -17.138 -2.659 1.00 0.00 C ATOM 68 CD LYS A 14 7.444 -17.033 -4.137 1.00 0.00 C ATOM 69 CE LYS A 14 6.398 -17.715 -5.009 1.00 0.00 C ATOM 70 NZ LYS A 14 5.382 -16.754 -5.528 1.00 0.00 N ATOM 0 H LYS A 14 5.120 -17.383 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 14 7.449 -15.819 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.326 -15.945 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.805 -15.018 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.006 -17.282 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.470 -18.016 -2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.526 -15.983 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.419 -17.487 -4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.891 -18.207 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.898 -18.493 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.691 -17.263 -6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.892 -16.303 -4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.854 -16.026 -6.101 1.00 0.00 H new ATOM 84 N ILE A 15 4.572 -14.201 -0.169 1.00 0.00 N ATOM 85 CA ILE A 15 3.968 -12.921 0.196 1.00 0.00 C ATOM 86 C ILE A 15 4.290 -12.548 1.643 1.00 0.00 C ATOM 87 O ILE A 15 4.714 -11.425 1.916 1.00 0.00 O ATOM 88 CB ILE A 15 2.431 -12.924 0.014 1.00 0.00 C ATOM 89 CG1 ILE A 15 2.049 -13.382 -1.398 1.00 0.00 C ATOM 90 CG2 ILE A 15 1.865 -11.535 0.290 1.00 0.00 C ATOM 91 CD1 ILE A 15 0.760 -14.176 -1.451 1.00 0.00 C ATOM 0 H ILE A 15 3.903 -14.949 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 15 4.399 -12.182 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 15 2.004 -13.628 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.954 -12.507 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.857 -13.990 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.783 -11.550 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.102 -11.242 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.305 -10.818 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.553 -14.466 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.858 -15.070 -0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.060 -13.564 -1.075 1.00 0.00 H new ATOM 103 N VAL A 16 4.085 -13.489 2.567 1.00 0.00 N ATOM 104 CA VAL A 16 4.354 -13.236 3.984 1.00 0.00 C ATOM 105 C VAL A 16 5.837 -12.981 4.240 1.00 0.00 C ATOM 106 O VAL A 16 6.192 -12.066 4.983 1.00 0.00 O ATOM 107 CB VAL A 16 3.863 -14.388 4.892 1.00 0.00 C ATOM 108 CG1 VAL A 16 2.349 -14.529 4.806 1.00 0.00 C ATOM 109 CG2 VAL A 16 4.548 -15.704 4.542 1.00 0.00 C ATOM 0 H VAL A 16 3.737 -14.426 2.362 1.00 0.00 H new ATOM 0 HA VAL A 16 3.791 -12.338 4.239 1.00 0.00 H new ATOM 0 HB VAL A 16 4.130 -14.140 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.022 -15.344 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.878 -13.600 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.061 -14.744 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.180 -16.492 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.329 -15.964 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.625 -15.599 4.670 1.00 0.00 H new ATOM 119 N ASP A 17 6.703 -13.787 3.625 1.00 0.00 N ATOM 120 CA ASP A 17 8.144 -13.629 3.802 1.00 0.00 C ATOM 121 C ASP A 17 8.638 -12.322 3.185 1.00 0.00 C ATOM 122 O ASP A 17 9.437 -11.613 3.789 1.00 0.00 O ATOM 123 CB ASP A 17 8.904 -14.814 3.193 1.00 0.00 C ATOM 124 CG ASP A 17 8.971 -16.009 4.126 1.00 0.00 C ATOM 125 OD1 ASP A 17 9.326 -15.823 5.309 1.00 0.00 O ATOM 126 OD2 ASP A 17 8.671 -17.133 3.671 1.00 0.00 O ATOM 0 H ASP A 17 6.433 -14.550 3.004 1.00 0.00 H new ATOM 0 HA ASP A 17 8.339 -13.600 4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.420 -15.111 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.916 -14.499 2.939 1.00 0.00 H new ATOM 131 N ALA A 18 8.159 -12.011 1.980 1.00 0.00 N ATOM 132 CA ALA A 18 8.567 -10.787 1.287 1.00 0.00 C ATOM 133 C ALA A 18 8.198 -9.534 2.081 1.00 0.00 C ATOM 134 O ALA A 18 8.976 -8.580 2.136 1.00 0.00 O ATOM 135 CB ALA A 18 7.949 -10.732 -0.105 1.00 0.00 C ATOM 0 H ALA A 18 7.492 -12.586 1.465 1.00 0.00 H new ATOM 0 HA ALA A 18 9.653 -10.811 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.262 -9.816 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.280 -11.594 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.862 -10.746 -0.021 1.00 0.00 H new ATOM 141 N VAL A 19 7.013 -9.533 2.693 1.00 0.00 N ATOM 142 CA VAL A 19 6.561 -8.383 3.476 1.00 0.00 C ATOM 143 C VAL A 19 7.311 -8.284 4.804 1.00 0.00 C ATOM 144 O VAL A 19 7.788 -7.211 5.174 1.00 0.00 O ATOM 145 CB VAL A 19 5.041 -8.433 3.751 1.00 0.00 C ATOM 146 CG1 VAL A 19 4.588 -7.173 4.476 1.00 0.00 C ATOM 147 CG2 VAL A 19 4.264 -8.615 2.453 1.00 0.00 C ATOM 0 H VAL A 19 6.353 -10.310 2.662 1.00 0.00 H new ATOM 0 HA VAL A 19 6.777 -7.499 2.876 1.00 0.00 H new ATOM 0 HB VAL A 19 4.837 -9.291 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.515 -7.226 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.117 -7.090 5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.808 -6.300 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.196 -8.648 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.473 -7.781 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.566 -9.547 1.976 1.00 0.00 H new ATOM 157 N ILE A 20 7.410 -9.404 5.518 1.00 0.00 N ATOM 158 CA ILE A 20 8.102 -9.431 6.805 1.00 0.00 C ATOM 159 C ILE A 20 9.601 -9.175 6.641 1.00 0.00 C ATOM 160 O ILE A 20 10.197 -8.442 7.432 1.00 0.00 O ATOM 161 CB ILE A 20 7.886 -10.772 7.541 1.00 0.00 C ATOM 162 CG1 ILE A 20 6.393 -11.011 7.793 1.00 0.00 C ATOM 163 CG2 ILE A 20 8.657 -10.796 8.855 1.00 0.00 C ATOM 164 CD1 ILE A 20 5.776 -10.045 8.781 1.00 0.00 C ATOM 0 H ILE A 20 7.021 -10.301 5.228 1.00 0.00 H new ATOM 0 HA ILE A 20 7.671 -8.630 7.406 1.00 0.00 H new ATOM 0 HB ILE A 20 8.264 -11.574 6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.858 -10.938 6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.255 -12.028 8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.491 -11.749 9.357 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.721 -10.672 8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.311 -9.984 9.495 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.719 -10.278 8.906 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.283 -10.133 9.742 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.881 -9.026 8.408 1.00 0.00 H new ATOM 176 N LYS A 21 10.205 -9.772 5.611 1.00 0.00 N ATOM 177 CA LYS A 21 11.635 -9.592 5.354 1.00 0.00 C ATOM 178 C LYS A 21 11.969 -8.120 5.089 1.00 0.00 C ATOM 179 O LYS A 21 13.080 -7.673 5.379 1.00 0.00 O ATOM 180 CB LYS A 21 12.091 -10.451 4.167 1.00 0.00 C ATOM 181 CG LYS A 21 12.339 -11.910 4.524 1.00 0.00 C ATOM 182 CD LYS A 21 13.506 -12.489 3.737 1.00 0.00 C ATOM 183 CE LYS A 21 13.704 -13.971 4.031 1.00 0.00 C ATOM 184 NZ LYS A 21 14.274 -14.201 5.389 1.00 0.00 N ATOM 0 H LYS A 21 9.729 -10.381 4.945 1.00 0.00 H new ATOM 0 HA LYS A 21 12.170 -9.914 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.335 -10.402 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.006 -10.027 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.542 -11.994 5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.440 -12.492 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.330 -12.350 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.417 -11.944 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.748 -14.488 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.367 -14.404 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.392 -15.222 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.198 -13.730 5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.630 -13.812 6.106 1.00 0.00 H new ATOM 198 N TYR A 22 11.007 -7.370 4.541 1.00 0.00 N ATOM 199 CA TYR A 22 11.217 -5.955 4.246 1.00 0.00 C ATOM 200 C TYR A 22 10.289 -5.062 5.079 1.00 0.00 C ATOM 201 O TYR A 22 9.478 -4.308 4.534 1.00 0.00 O ATOM 202 CB TYR A 22 11.016 -5.688 2.750 1.00 0.00 C ATOM 203 CG TYR A 22 11.972 -4.657 2.183 1.00 0.00 C ATOM 204 CD1 TYR A 22 12.046 -3.378 2.722 1.00 0.00 C ATOM 205 CD2 TYR A 22 12.804 -4.967 1.114 1.00 0.00 C ATOM 206 CE1 TYR A 22 12.920 -2.438 2.212 1.00 0.00 C ATOM 207 CE2 TYR A 22 13.680 -4.032 0.599 1.00 0.00 C ATOM 208 CZ TYR A 22 13.735 -2.769 1.151 1.00 0.00 C ATOM 209 OH TYR A 22 14.607 -1.835 0.640 1.00 0.00 O ATOM 0 H TYR A 22 10.081 -7.720 4.295 1.00 0.00 H new ATOM 0 HA TYR A 22 12.244 -5.707 4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.137 -6.623 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 22 9.992 -5.352 2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.409 -3.115 3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 22 12.765 -5.955 0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.965 -1.449 2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 22 14.320 -4.289 -0.233 1.00 0.00 H new ATOM 0 HH TYR A 22 15.109 -2.229 -0.104 1.00 0.00 H new ATOM 219 N LYS A 23 10.426 -5.140 6.404 1.00 0.00 N ATOM 220 CA LYS A 23 9.618 -4.330 7.312 1.00 0.00 C ATOM 221 C LYS A 23 10.478 -3.256 7.976 1.00 0.00 C ATOM 222 O LYS A 23 11.410 -3.574 8.716 1.00 0.00 O ATOM 223 CB LYS A 23 8.965 -5.209 8.384 1.00 0.00 C ATOM 224 CG LYS A 23 7.460 -5.028 8.488 1.00 0.00 C ATOM 225 CD LYS A 23 6.734 -6.365 8.468 1.00 0.00 C ATOM 226 CE LYS A 23 5.504 -6.356 9.366 1.00 0.00 C ATOM 227 NZ LYS A 23 4.680 -5.126 9.184 1.00 0.00 N ATOM 0 H LYS A 23 11.090 -5.757 6.871 1.00 0.00 H new ATOM 0 HA LYS A 23 8.834 -3.847 6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.182 -6.255 8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.417 -4.984 9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.219 -4.496 9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.109 -4.410 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.436 -6.601 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.414 -7.153 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.894 -7.234 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.817 -6.431 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.707 -5.309 9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.087 -4.349 9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.670 -4.860 8.179 1.00 0.00 H new ATOM 241 N ASP A 24 10.163 -1.989 7.704 1.00 0.00 N ATOM 242 CA ASP A 24 10.914 -0.872 8.275 1.00 0.00 C ATOM 243 C ASP A 24 10.711 -0.795 9.786 1.00 0.00 C ATOM 244 O ASP A 24 9.592 -0.587 10.259 1.00 0.00 O ATOM 245 CB ASP A 24 10.484 0.447 7.627 1.00 0.00 C ATOM 246 CG ASP A 24 11.664 1.326 7.265 1.00 0.00 C ATOM 247 OD1 ASP A 24 12.385 0.986 6.304 1.00 0.00 O ATOM 248 OD2 ASP A 24 11.866 2.354 7.943 1.00 0.00 O ATOM 0 H ASP A 24 9.395 -1.712 7.093 1.00 0.00 H new ATOM 0 HA ASP A 24 11.972 -1.041 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.904 0.235 6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.828 0.987 8.310 1.00 0.00 H new ATOM 253 N SER A 25 11.801 -0.964 10.536 1.00 0.00 N ATOM 254 CA SER A 25 11.753 -0.917 11.999 1.00 0.00 C ATOM 255 C SER A 25 10.820 -1.997 12.558 1.00 0.00 C ATOM 256 O SER A 25 10.277 -2.815 11.811 1.00 0.00 O ATOM 257 CB SER A 25 11.301 0.471 12.472 1.00 0.00 C ATOM 258 OG SER A 25 11.544 0.645 13.859 1.00 0.00 O ATOM 0 H SER A 25 12.731 -1.135 10.153 1.00 0.00 H new ATOM 0 HA SER A 25 12.758 -1.111 12.375 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.829 1.240 11.908 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.238 0.599 12.267 1.00 0.00 H new ATOM 0 HG SER A 25 12.343 0.140 14.117 1.00 0.00 H new ATOM 264 N SER A 26 10.634 -1.990 13.877 1.00 0.00 N ATOM 265 CA SER A 26 9.765 -2.958 14.541 1.00 0.00 C ATOM 266 C SER A 26 8.303 -2.509 14.495 1.00 0.00 C ATOM 267 O SER A 26 7.391 -3.335 14.579 1.00 0.00 O ATOM 268 CB SER A 26 10.205 -3.155 15.995 1.00 0.00 C ATOM 269 OG SER A 26 9.978 -1.985 16.765 1.00 0.00 O ATOM 0 H SER A 26 11.076 -1.322 14.508 1.00 0.00 H new ATOM 0 HA SER A 26 9.849 -3.906 14.009 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.660 -3.992 16.432 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.264 -3.413 16.025 1.00 0.00 H new ATOM 0 HG SER A 26 10.266 -2.140 17.689 1.00 0.00 H new ATOM 275 N SER A 27 8.086 -1.198 14.366 1.00 0.00 N ATOM 276 CA SER A 27 6.736 -0.639 14.312 1.00 0.00 C ATOM 277 C SER A 27 6.187 -0.612 12.882 1.00 0.00 C ATOM 278 O SER A 27 4.976 -0.499 12.683 1.00 0.00 O ATOM 279 CB SER A 27 6.724 0.776 14.898 1.00 0.00 C ATOM 280 OG SER A 27 7.156 0.775 16.247 1.00 0.00 O ATOM 0 H SER A 27 8.830 -0.504 14.297 1.00 0.00 H new ATOM 0 HA SER A 27 6.091 -1.286 14.907 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.372 1.423 14.306 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.717 1.190 14.836 1.00 0.00 H new ATOM 0 HG SER A 27 7.140 1.691 16.596 1.00 0.00 H new ATOM 286 N GLY A 28 7.076 -0.707 11.888 1.00 0.00 N ATOM 287 CA GLY A 28 6.646 -0.680 10.500 1.00 0.00 C ATOM 288 C GLY A 28 6.314 0.725 10.027 1.00 0.00 C ATOM 289 O GLY A 28 5.331 0.931 9.313 1.00 0.00 O ATOM 0 H GLY A 28 8.083 -0.802 12.023 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.432 -1.097 9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.770 -1.318 10.381 1.00 0.00 H new ATOM 293 N ARG A 29 7.141 1.692 10.433 1.00 0.00 N ATOM 294 CA ARG A 29 6.944 3.089 10.055 1.00 0.00 C ATOM 295 C ARG A 29 8.050 3.553 9.113 1.00 0.00 C ATOM 296 O ARG A 29 9.189 3.093 9.207 1.00 0.00 O ATOM 297 CB ARG A 29 6.911 3.984 11.298 1.00 0.00 C ATOM 298 CG ARG A 29 5.692 3.769 12.182 1.00 0.00 C ATOM 299 CD ARG A 29 4.416 4.248 11.506 1.00 0.00 C ATOM 300 NE ARG A 29 3.260 3.431 11.878 1.00 0.00 N ATOM 301 CZ ARG A 29 2.593 3.554 13.029 1.00 0.00 C ATOM 302 NH1 ARG A 29 2.959 4.466 13.928 1.00 0.00 N ATOM 303 NH2 ARG A 29 1.558 2.763 13.284 1.00 0.00 N ATOM 0 H ARG A 29 7.955 1.530 11.025 1.00 0.00 H new ATOM 0 HA ARG A 29 5.987 3.167 9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.810 3.804 11.887 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.939 5.027 10.983 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.600 2.710 12.424 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.827 4.301 13.124 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.229 5.287 11.779 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.546 4.221 10.424 1.00 0.00 H new ATOM 0 HE ARG A 29 2.943 2.722 11.216 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.754 5.077 13.740 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.444 4.553 14.804 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.272 2.061 12.601 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.049 2.857 14.163 1.00 0.00 H new ATOM 317 N GLN A 30 7.702 4.463 8.203 1.00 0.00 N ATOM 318 CA GLN A 30 8.657 4.993 7.227 1.00 0.00 C ATOM 319 C GLN A 30 8.017 6.109 6.394 1.00 0.00 C ATOM 320 O GLN A 30 6.956 6.624 6.750 1.00 0.00 O ATOM 321 CB GLN A 30 9.143 3.859 6.311 1.00 0.00 C ATOM 322 CG GLN A 30 8.012 3.100 5.627 1.00 0.00 C ATOM 323 CD GLN A 30 8.442 1.746 5.090 1.00 0.00 C ATOM 324 OE1 GLN A 30 9.576 1.575 4.643 1.00 0.00 O ATOM 325 NE2 GLN A 30 7.535 0.774 5.124 1.00 0.00 N ATOM 0 H GLN A 30 6.762 4.850 8.121 1.00 0.00 H new ATOM 0 HA GLN A 30 9.509 5.413 7.762 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.802 4.276 5.550 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.737 3.158 6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.196 2.960 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.622 3.702 4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.606 0.957 5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.769 -0.154 4.771 1.00 0.00 H new ATOM 334 N LEU A 31 8.661 6.470 5.278 1.00 0.00 N ATOM 335 CA LEU A 31 8.144 7.516 4.389 1.00 0.00 C ATOM 336 C LEU A 31 6.707 7.207 3.958 1.00 0.00 C ATOM 337 O LEU A 31 5.891 8.114 3.797 1.00 0.00 O ATOM 338 CB LEU A 31 9.038 7.675 3.148 1.00 0.00 C ATOM 339 CG LEU A 31 9.485 6.373 2.469 1.00 0.00 C ATOM 340 CD1 LEU A 31 9.400 6.507 0.956 1.00 0.00 C ATOM 341 CD2 LEU A 31 10.903 6.006 2.891 1.00 0.00 C ATOM 0 H LEU A 31 9.540 6.054 4.970 1.00 0.00 H new ATOM 0 HA LEU A 31 8.149 8.453 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.503 8.279 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.928 8.236 3.435 1.00 0.00 H new ATOM 0 HG LEU A 31 8.815 5.574 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.720 5.575 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.371 6.722 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.047 7.319 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.201 5.080 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.586 6.805 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.937 5.869 3.972 1.00 0.00 H new ATOM 353 N SER A 32 6.411 5.916 3.784 1.00 0.00 N ATOM 354 CA SER A 32 5.076 5.466 3.378 1.00 0.00 C ATOM 355 C SER A 32 4.047 5.603 4.513 1.00 0.00 C ATOM 356 O SER A 32 2.875 5.270 4.329 1.00 0.00 O ATOM 357 CB SER A 32 5.138 4.008 2.914 1.00 0.00 C ATOM 358 OG SER A 32 4.018 3.676 2.113 1.00 0.00 O ATOM 0 H SER A 32 7.082 5.160 3.919 1.00 0.00 H new ATOM 0 HA SER A 32 4.751 6.107 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.055 3.843 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.176 3.349 3.781 1.00 0.00 H new ATOM 0 HG SER A 32 3.203 4.030 2.527 1.00 0.00 H new ATOM 364 N GLU A 33 4.480 6.093 5.682 1.00 0.00 N ATOM 365 CA GLU A 33 3.581 6.268 6.826 1.00 0.00 C ATOM 366 C GLU A 33 2.395 7.170 6.470 1.00 0.00 C ATOM 367 O GLU A 33 1.340 7.091 7.098 1.00 0.00 O ATOM 368 CB GLU A 33 4.343 6.855 8.019 1.00 0.00 C ATOM 369 CG GLU A 33 3.487 7.038 9.265 1.00 0.00 C ATOM 370 CD GLU A 33 3.256 8.497 9.613 1.00 0.00 C ATOM 371 OE1 GLU A 33 2.753 9.246 8.749 1.00 0.00 O ATOM 372 OE2 GLU A 33 3.576 8.888 10.753 1.00 0.00 O ATOM 0 H GLU A 33 5.445 6.374 5.858 1.00 0.00 H new ATOM 0 HA GLU A 33 3.193 5.286 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.182 6.202 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.761 7.820 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.525 6.549 9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.969 6.541 10.107 1.00 0.00 H new ATOM 379 N VAL A 34 2.567 8.021 5.454 1.00 0.00 N ATOM 380 CA VAL A 34 1.500 8.920 5.024 1.00 0.00 C ATOM 381 C VAL A 34 0.267 8.130 4.558 1.00 0.00 C ATOM 382 O VAL A 34 -0.858 8.625 4.633 1.00 0.00 O ATOM 383 CB VAL A 34 1.981 9.866 3.898 1.00 0.00 C ATOM 384 CG1 VAL A 34 2.495 9.079 2.700 1.00 0.00 C ATOM 385 CG2 VAL A 34 0.875 10.828 3.485 1.00 0.00 C ATOM 0 H VAL A 34 3.431 8.104 4.919 1.00 0.00 H new ATOM 0 HA VAL A 34 1.220 9.526 5.885 1.00 0.00 H new ATOM 0 HB VAL A 34 2.811 10.455 4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.826 9.771 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.332 8.452 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.696 8.450 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.239 11.482 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.017 10.262 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.577 11.430 4.344 1.00 0.00 H new ATOM 395 N PHE A 35 0.486 6.893 4.101 1.00 0.00 N ATOM 396 CA PHE A 35 -0.605 6.030 3.651 1.00 0.00 C ATOM 397 C PHE A 35 -0.740 4.803 4.565 1.00 0.00 C ATOM 398 O PHE A 35 -1.180 3.737 4.125 1.00 0.00 O ATOM 399 CB PHE A 35 -0.381 5.574 2.201 1.00 0.00 C ATOM 400 CG PHE A 35 0.212 6.625 1.299 1.00 0.00 C ATOM 401 CD1 PHE A 35 -0.456 7.816 1.061 1.00 0.00 C ATOM 402 CD2 PHE A 35 1.438 6.415 0.686 1.00 0.00 C ATOM 403 CE1 PHE A 35 0.089 8.778 0.230 1.00 0.00 C ATOM 404 CE2 PHE A 35 1.986 7.373 -0.146 1.00 0.00 C ATOM 405 CZ PHE A 35 1.312 8.555 -0.375 1.00 0.00 C ATOM 0 H PHE A 35 1.411 6.469 4.034 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.527 6.609 3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.276 4.704 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.335 5.252 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.412 7.995 1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.971 5.492 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.440 9.703 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.942 7.196 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.739 9.304 -1.025 1.00 0.00 H new ATOM 415 N ILE A 36 -0.361 4.960 5.840 1.00 0.00 N ATOM 416 CA ILE A 36 -0.443 3.870 6.809 1.00 0.00 C ATOM 417 C ILE A 36 -1.881 3.652 7.282 1.00 0.00 C ATOM 418 O ILE A 36 -2.319 2.513 7.449 1.00 0.00 O ATOM 419 CB ILE A 36 0.471 4.129 8.037 1.00 0.00 C ATOM 420 CG1 ILE A 36 0.550 2.879 8.917 1.00 0.00 C ATOM 421 CG2 ILE A 36 -0.029 5.320 8.848 1.00 0.00 C ATOM 422 CD1 ILE A 36 1.776 2.027 8.660 1.00 0.00 C ATOM 0 H ILE A 36 0.005 5.833 6.220 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.098 2.971 6.299 1.00 0.00 H new ATOM 0 HB ILE A 36 1.471 4.363 7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.543 3.182 9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.342 2.274 8.754 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.629 5.480 9.702 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.033 6.211 8.221 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.041 5.121 9.201 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.762 1.160 9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.776 1.693 7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.674 2.614 8.852 1.00 0.00 H new ATOM 434 N GLN A 37 -2.607 4.751 7.499 1.00 0.00 N ATOM 435 CA GLN A 37 -3.993 4.687 7.956 1.00 0.00 C ATOM 436 C GLN A 37 -4.873 5.640 7.145 1.00 0.00 C ATOM 437 O GLN A 37 -4.490 6.785 6.895 1.00 0.00 O ATOM 438 CB GLN A 37 -4.072 5.045 9.444 1.00 0.00 C ATOM 439 CG GLN A 37 -5.138 4.269 10.205 1.00 0.00 C ATOM 440 CD GLN A 37 -5.043 4.460 11.710 1.00 0.00 C ATOM 441 OE1 GLN A 37 -3.872 4.183 12.277 1.00 0.00 O flip ATOM 442 NE2 GLN A 37 -6.014 4.851 12.358 1.00 0.00 N flip ATOM 0 H GLN A 37 -2.254 5.699 7.364 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.357 3.670 7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.102 4.860 9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.273 6.112 9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.124 4.585 9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.045 3.208 9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.895 5.053 11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.938 4.973 13.368 1.00 0.00 H new ATOM 451 N LEU A 38 -6.050 5.164 6.739 1.00 0.00 N ATOM 452 CA LEU A 38 -6.982 5.980 5.959 1.00 0.00 C ATOM 453 C LEU A 38 -8.121 6.494 6.839 1.00 0.00 C ATOM 454 O LEU A 38 -8.879 5.704 7.402 1.00 0.00 O ATOM 455 CB LEU A 38 -7.553 5.171 4.789 1.00 0.00 C ATOM 456 CG LEU A 38 -7.106 5.625 3.394 1.00 0.00 C ATOM 457 CD1 LEU A 38 -7.621 7.025 3.094 1.00 0.00 C ATOM 458 CD2 LEU A 38 -5.590 5.573 3.270 1.00 0.00 C ATOM 0 H LEU A 38 -6.381 4.220 6.936 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.433 6.835 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.271 4.126 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.641 5.216 4.836 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.531 4.940 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.293 7.328 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.710 7.028 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.229 7.723 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.295 5.899 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.141 6.231 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.246 4.552 3.434 1.00 0.00 H new ATOM 470 N PRO A 39 -8.250 7.833 6.970 1.00 0.00 N ATOM 471 CA PRO A 39 -9.300 8.457 7.791 1.00 0.00 C ATOM 472 C PRO A 39 -10.708 8.032 7.377 1.00 0.00 C ATOM 473 O PRO A 39 -10.900 7.392 6.341 1.00 0.00 O ATOM 474 CB PRO A 39 -9.106 9.957 7.553 1.00 0.00 C ATOM 475 CG PRO A 39 -7.695 10.095 7.107 1.00 0.00 C ATOM 476 CD PRO A 39 -7.382 8.844 6.337 1.00 0.00 C ATOM 0 HA PRO A 39 -9.214 8.162 8.837 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.797 10.330 6.797 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.290 10.528 8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.567 10.980 6.483 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.025 10.207 7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.604 8.958 5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.328 8.576 6.415 1.00 0.00 H new ATOM 484 N SER A 40 -11.688 8.394 8.200 1.00 0.00 N ATOM 485 CA SER A 40 -13.086 8.050 7.938 1.00 0.00 C ATOM 486 C SER A 40 -13.718 9.002 6.926 1.00 0.00 C ATOM 487 O SER A 40 -13.292 10.151 6.789 1.00 0.00 O ATOM 488 CB SER A 40 -13.890 8.069 9.242 1.00 0.00 C ATOM 489 OG SER A 40 -13.349 7.163 10.190 1.00 0.00 O ATOM 0 H SER A 40 -11.541 8.927 9.057 1.00 0.00 H new ATOM 0 HA SER A 40 -13.105 7.046 7.515 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.891 9.077 9.657 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.928 7.808 9.036 1.00 0.00 H new ATOM 0 HG SER A 40 -13.879 7.196 11.013 1.00 0.00 H new ATOM 495 N ARG A 41 -14.744 8.515 6.224 1.00 0.00 N ATOM 496 CA ARG A 41 -15.447 9.320 5.224 1.00 0.00 C ATOM 497 C ARG A 41 -15.996 10.605 5.842 1.00 0.00 C ATOM 498 O ARG A 41 -16.003 11.651 5.198 1.00 0.00 O ATOM 499 CB ARG A 41 -16.590 8.520 4.585 1.00 0.00 C ATOM 500 CG ARG A 41 -17.219 9.206 3.378 1.00 0.00 C ATOM 501 CD ARG A 41 -18.535 8.550 2.985 1.00 0.00 C ATOM 502 NE ARG A 41 -19.397 9.456 2.224 1.00 0.00 N ATOM 503 CZ ARG A 41 -20.439 9.059 1.488 1.00 0.00 C ATOM 504 NH1 ARG A 41 -20.760 7.769 1.409 1.00 0.00 N ATOM 505 NH2 ARG A 41 -21.166 9.955 0.830 1.00 0.00 N ATOM 0 H ARG A 41 -15.106 7.567 6.330 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.727 9.586 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.212 7.544 4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.362 8.344 5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.390 10.258 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.528 9.169 2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.332 7.659 2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -19.058 8.222 3.883 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.189 10.454 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.209 7.074 1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -21.557 7.475 0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.929 10.945 0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.962 9.653 0.268 1.00 0.00 H new ATOM 519 N LYS A 42 -16.450 10.524 7.095 1.00 0.00 N ATOM 520 CA LYS A 42 -16.989 11.693 7.791 1.00 0.00 C ATOM 521 C LYS A 42 -15.901 12.748 8.012 1.00 0.00 C ATOM 522 O LYS A 42 -16.175 13.947 7.975 1.00 0.00 O ATOM 523 CB LYS A 42 -17.607 11.286 9.134 1.00 0.00 C ATOM 524 CG LYS A 42 -18.719 10.253 9.011 1.00 0.00 C ATOM 525 CD LYS A 42 -19.988 10.702 9.720 1.00 0.00 C ATOM 526 CE LYS A 42 -20.873 9.518 10.083 1.00 0.00 C ATOM 527 NZ LYS A 42 -22.043 9.923 10.914 1.00 0.00 N ATOM 0 H LYS A 42 -16.455 9.665 7.645 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.768 12.126 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.823 10.887 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -18.002 12.175 9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -18.935 10.075 7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -18.383 9.305 9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.726 11.252 10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.541 11.388 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -21.226 9.038 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -20.283 8.778 10.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -22.617 9.085 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.708 10.358 11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -22.621 10.609 10.388 1.00 0.00 H new ATOM 541 N GLU A 43 -14.665 12.289 8.233 1.00 0.00 N ATOM 542 CA GLU A 43 -13.535 13.192 8.449 1.00 0.00 C ATOM 543 C GLU A 43 -13.177 13.941 7.163 1.00 0.00 C ATOM 544 O GLU A 43 -12.867 15.133 7.199 1.00 0.00 O ATOM 545 CB GLU A 43 -12.314 12.412 8.954 1.00 0.00 C ATOM 546 CG GLU A 43 -12.037 12.603 10.437 1.00 0.00 C ATOM 547 CD GLU A 43 -10.783 11.882 10.898 1.00 0.00 C ATOM 548 OE1 GLU A 43 -9.712 12.095 10.289 1.00 0.00 O ATOM 549 OE2 GLU A 43 -10.872 11.103 11.870 1.00 0.00 O ATOM 0 H GLU A 43 -14.424 11.298 8.267 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.829 13.921 9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.464 11.351 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.436 12.721 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.938 13.667 10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.890 12.242 11.011 1.00 0.00 H new ATOM 556 N LEU A 44 -13.220 13.236 6.030 1.00 0.00 N ATOM 557 CA LEU A 44 -12.899 13.839 4.736 1.00 0.00 C ATOM 558 C LEU A 44 -13.766 13.256 3.616 1.00 0.00 C ATOM 559 O LEU A 44 -13.286 12.484 2.783 1.00 0.00 O ATOM 560 CB LEU A 44 -11.410 13.653 4.399 1.00 0.00 C ATOM 561 CG LEU A 44 -10.743 12.394 4.973 1.00 0.00 C ATOM 562 CD1 LEU A 44 -11.420 11.130 4.459 1.00 0.00 C ATOM 563 CD2 LEU A 44 -9.260 12.381 4.626 1.00 0.00 C ATOM 0 H LEU A 44 -13.474 12.249 5.983 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.112 14.905 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.303 13.635 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.865 14.525 4.759 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.853 12.416 6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.926 10.255 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.469 11.133 4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.350 11.096 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.798 11.484 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.140 12.386 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.780 13.264 5.049 1.00 0.00 H new ATOM 575 N PRO A 45 -15.061 13.627 3.572 1.00 0.00 N ATOM 576 CA PRO A 45 -15.989 13.142 2.540 1.00 0.00 C ATOM 577 C PRO A 45 -15.488 13.436 1.126 1.00 0.00 C ATOM 578 O PRO A 45 -15.703 12.644 0.208 1.00 0.00 O ATOM 579 CB PRO A 45 -17.281 13.916 2.823 1.00 0.00 C ATOM 580 CG PRO A 45 -17.182 14.313 4.255 1.00 0.00 C ATOM 581 CD PRO A 45 -15.721 14.549 4.515 1.00 0.00 C ATOM 0 HA PRO A 45 -16.111 12.060 2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -17.369 14.789 2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -18.160 13.297 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.765 15.213 4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -17.573 13.531 4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -15.441 15.586 4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -15.454 14.328 5.548 1.00 0.00 H new ATOM 589 N GLU A 46 -14.813 14.578 0.963 1.00 0.00 N ATOM 590 CA GLU A 46 -14.273 14.979 -0.337 1.00 0.00 C ATOM 591 C GLU A 46 -13.225 13.983 -0.840 1.00 0.00 C ATOM 592 O GLU A 46 -13.093 13.769 -2.045 1.00 0.00 O ATOM 593 CB GLU A 46 -13.664 16.384 -0.254 1.00 0.00 C ATOM 594 CG GLU A 46 -14.221 17.348 -1.292 1.00 0.00 C ATOM 595 CD GLU A 46 -13.206 17.734 -2.355 1.00 0.00 C ATOM 596 OE1 GLU A 46 -12.388 16.872 -2.747 1.00 0.00 O ATOM 597 OE2 GLU A 46 -13.232 18.900 -2.799 1.00 0.00 O ATOM 0 H GLU A 46 -14.628 15.240 1.716 1.00 0.00 H new ATOM 0 HA GLU A 46 -15.099 14.989 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.843 16.791 0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.584 16.311 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.087 16.893 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.572 18.249 -0.790 1.00 0.00 H new ATOM 604 N TYR A 47 -12.485 13.373 0.090 1.00 0.00 N ATOM 605 CA TYR A 47 -11.454 12.396 -0.265 1.00 0.00 C ATOM 606 C TYR A 47 -12.054 11.218 -1.030 1.00 0.00 C ATOM 607 O TYR A 47 -11.505 10.784 -2.042 1.00 0.00 O ATOM 608 CB TYR A 47 -10.745 11.887 0.992 1.00 0.00 C ATOM 609 CG TYR A 47 -9.294 11.517 0.766 1.00 0.00 C ATOM 610 CD1 TYR A 47 -8.332 12.498 0.561 1.00 0.00 C ATOM 611 CD2 TYR A 47 -8.885 10.188 0.762 1.00 0.00 C ATOM 612 CE1 TYR A 47 -7.006 12.167 0.358 1.00 0.00 C ATOM 613 CE2 TYR A 47 -7.560 9.849 0.560 1.00 0.00 C ATOM 614 CZ TYR A 47 -6.624 10.842 0.359 1.00 0.00 C ATOM 615 OH TYR A 47 -5.303 10.509 0.157 1.00 0.00 O ATOM 0 H TYR A 47 -12.581 13.538 1.092 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.730 12.895 -0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.799 12.654 1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.278 11.015 1.371 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.626 13.537 0.560 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.615 9.407 0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.272 12.943 0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.259 8.812 0.560 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.203 9.535 0.189 1.00 0.00 H new ATOM 625 N TYR A 48 -13.186 10.708 -0.541 1.00 0.00 N ATOM 626 CA TYR A 48 -13.862 9.582 -1.187 1.00 0.00 C ATOM 627 C TYR A 48 -14.323 9.954 -2.598 1.00 0.00 C ATOM 628 O TYR A 48 -14.388 9.096 -3.481 1.00 0.00 O ATOM 629 CB TYR A 48 -15.062 9.125 -0.350 1.00 0.00 C ATOM 630 CG TYR A 48 -14.915 7.727 0.212 1.00 0.00 C ATOM 631 CD1 TYR A 48 -13.892 7.417 1.101 1.00 0.00 C ATOM 632 CD2 TYR A 48 -15.799 6.718 -0.149 1.00 0.00 C ATOM 633 CE1 TYR A 48 -13.756 6.140 1.615 1.00 0.00 C ATOM 634 CE2 TYR A 48 -15.670 5.440 0.361 1.00 0.00 C ATOM 635 CZ TYR A 48 -14.648 5.156 1.241 1.00 0.00 C ATOM 636 OH TYR A 48 -14.516 3.885 1.751 1.00 0.00 O ATOM 0 H TYR A 48 -13.652 11.055 0.297 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.148 8.762 -1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -15.207 9.825 0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.960 9.167 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.192 8.185 1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -16.600 6.936 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.956 5.915 2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.367 4.667 0.071 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.224 3.312 1.389 1.00 0.00 H new ATOM 646 N GLU A 49 -14.638 11.235 -2.803 1.00 0.00 N ATOM 647 CA GLU A 49 -15.089 11.721 -4.106 1.00 0.00 C ATOM 648 C GLU A 49 -13.962 11.655 -5.135 1.00 0.00 C ATOM 649 O GLU A 49 -14.167 11.199 -6.260 1.00 0.00 O ATOM 650 CB GLU A 49 -15.610 13.161 -3.997 1.00 0.00 C ATOM 651 CG GLU A 49 -16.635 13.366 -2.889 1.00 0.00 C ATOM 652 CD GLU A 49 -17.333 14.713 -2.965 1.00 0.00 C ATOM 653 OE1 GLU A 49 -17.736 15.118 -4.076 1.00 0.00 O ATOM 654 OE2 GLU A 49 -17.482 15.361 -1.907 1.00 0.00 O ATOM 0 H GLU A 49 -14.588 11.954 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.902 11.075 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.766 13.830 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.057 13.448 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.381 12.573 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.140 13.274 -1.922 1.00 0.00 H new ATOM 661 N LEU A 50 -12.771 12.111 -4.742 1.00 0.00 N ATOM 662 CA LEU A 50 -11.614 12.104 -5.634 1.00 0.00 C ATOM 663 C LEU A 50 -10.973 10.717 -5.697 1.00 0.00 C ATOM 664 O LEU A 50 -10.898 10.109 -6.766 1.00 0.00 O ATOM 665 CB LEU A 50 -10.581 13.144 -5.186 1.00 0.00 C ATOM 666 CG LEU A 50 -9.362 13.290 -6.105 1.00 0.00 C ATOM 667 CD1 LEU A 50 -9.602 14.371 -7.149 1.00 0.00 C ATOM 668 CD2 LEU A 50 -8.113 13.598 -5.290 1.00 0.00 C ATOM 0 H LEU A 50 -12.584 12.489 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.963 12.363 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.075 14.113 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.234 12.881 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.209 12.344 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.725 14.458 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.469 14.106 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.784 15.324 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.258 13.698 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.257 14.529 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.929 12.787 -4.585 1.00 0.00 H new ATOM 680 N ILE A 51 -10.512 10.229 -4.551 1.00 0.00 N ATOM 681 CA ILE A 51 -9.872 8.916 -4.473 1.00 0.00 C ATOM 682 C ILE A 51 -10.905 7.793 -4.565 1.00 0.00 C ATOM 683 O ILE A 51 -11.813 7.701 -3.736 1.00 0.00 O ATOM 684 CB ILE A 51 -9.061 8.748 -3.167 1.00 0.00 C ATOM 685 CG1 ILE A 51 -8.119 9.939 -2.952 1.00 0.00 C ATOM 686 CG2 ILE A 51 -8.272 7.444 -3.193 1.00 0.00 C ATOM 687 CD1 ILE A 51 -7.153 10.172 -4.097 1.00 0.00 C ATOM 0 H ILE A 51 -10.569 10.722 -3.660 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.189 8.853 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.763 8.714 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.715 10.839 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.550 9.779 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.707 7.342 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.960 6.604 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.584 7.452 -4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.521 11.031 -3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.530 9.288 -4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.713 10.365 -5.012 1.00 0.00 H new ATOM 699 N ARG A 52 -10.755 6.939 -5.579 1.00 0.00 N ATOM 700 CA ARG A 52 -11.667 5.815 -5.784 1.00 0.00 C ATOM 701 C ARG A 52 -11.305 4.651 -4.864 1.00 0.00 C ATOM 702 O ARG A 52 -10.558 3.749 -5.246 1.00 0.00 O ATOM 703 CB ARG A 52 -11.642 5.361 -7.249 1.00 0.00 C ATOM 704 CG ARG A 52 -12.611 6.124 -8.140 1.00 0.00 C ATOM 705 CD ARG A 52 -12.439 5.748 -9.605 1.00 0.00 C ATOM 706 NE ARG A 52 -12.884 6.815 -10.505 1.00 0.00 N ATOM 707 CZ ARG A 52 -13.044 6.668 -11.823 1.00 0.00 C ATOM 708 NH1 ARG A 52 -12.798 5.498 -12.409 1.00 0.00 N ATOM 709 NH2 ARG A 52 -13.453 7.696 -12.561 1.00 0.00 N ATOM 0 H ARG A 52 -10.009 7.006 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.676 6.148 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.632 5.480 -7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.879 4.298 -7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.634 5.916 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.452 7.195 -8.018 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.390 5.524 -9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.004 4.839 -9.814 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.085 7.729 -10.099 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.484 4.704 -11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.923 5.396 -13.416 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.644 8.596 -12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.575 7.585 -13.567 1.00 0.00 H new ATOM 723 N LYS A 53 -11.844 4.690 -3.644 1.00 0.00 N ATOM 724 CA LYS A 53 -11.597 3.653 -2.639 1.00 0.00 C ATOM 725 C LYS A 53 -10.119 3.617 -2.238 1.00 0.00 C ATOM 726 O LYS A 53 -9.343 2.808 -2.754 1.00 0.00 O ATOM 727 CB LYS A 53 -12.044 2.275 -3.150 1.00 0.00 C ATOM 728 CG LYS A 53 -13.451 2.256 -3.738 1.00 0.00 C ATOM 729 CD LYS A 53 -13.710 0.979 -4.527 1.00 0.00 C ATOM 730 CE LYS A 53 -13.949 -0.212 -3.608 1.00 0.00 C ATOM 731 NZ LYS A 53 -15.401 -0.481 -3.400 1.00 0.00 N ATOM 0 H LYS A 53 -12.461 5.437 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.186 3.901 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.340 1.935 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.996 1.561 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.183 2.343 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.586 3.120 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.576 1.120 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.859 0.773 -5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.474 -1.097 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.474 -0.026 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.515 -1.299 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.851 0.353 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.851 -0.684 -4.315 1.00 0.00 H new ATOM 745 N PRO A 54 -9.710 4.500 -1.307 1.00 0.00 N ATOM 746 CA PRO A 54 -8.321 4.573 -0.833 1.00 0.00 C ATOM 747 C PRO A 54 -7.929 3.365 0.020 1.00 0.00 C ATOM 748 O PRO A 54 -8.746 2.835 0.776 1.00 0.00 O ATOM 749 CB PRO A 54 -8.302 5.855 0.005 1.00 0.00 C ATOM 750 CG PRO A 54 -9.708 6.029 0.464 1.00 0.00 C ATOM 751 CD PRO A 54 -10.572 5.501 -0.646 1.00 0.00 C ATOM 0 HA PRO A 54 -7.608 4.575 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.618 5.766 0.849 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.970 6.709 -0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.887 5.484 1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.927 7.078 0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.488 5.051 -0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.869 6.292 -1.334 1.00 0.00 H new ATOM 759 N VAL A 55 -6.673 2.935 -0.110 1.00 0.00 N ATOM 760 CA VAL A 55 -6.167 1.789 0.641 1.00 0.00 C ATOM 761 C VAL A 55 -4.970 2.182 1.506 1.00 0.00 C ATOM 762 O VAL A 55 -4.126 2.978 1.091 1.00 0.00 O ATOM 763 CB VAL A 55 -5.759 0.631 -0.298 1.00 0.00 C ATOM 764 CG1 VAL A 55 -5.465 -0.632 0.501 1.00 0.00 C ATOM 765 CG2 VAL A 55 -6.845 0.371 -1.335 1.00 0.00 C ATOM 0 H VAL A 55 -5.987 3.366 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.979 1.450 1.285 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.849 0.922 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.180 -1.435 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.649 -0.440 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.355 -0.926 1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.538 -0.448 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.774 0.105 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.001 1.270 -1.932 1.00 0.00 H new ATOM 775 N ASP A 56 -4.911 1.617 2.713 1.00 0.00 N ATOM 776 CA ASP A 56 -3.827 1.901 3.650 1.00 0.00 C ATOM 777 C ASP A 56 -3.168 0.610 4.139 1.00 0.00 C ATOM 778 O ASP A 56 -3.717 -0.480 3.965 1.00 0.00 O ATOM 779 CB ASP A 56 -4.350 2.707 4.842 1.00 0.00 C ATOM 780 CG ASP A 56 -5.523 2.037 5.533 1.00 0.00 C ATOM 781 OD1 ASP A 56 -6.631 2.032 4.957 1.00 0.00 O ATOM 782 OD2 ASP A 56 -5.334 1.517 6.648 1.00 0.00 O ATOM 0 H ASP A 56 -5.605 0.957 3.064 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.076 2.490 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.543 2.849 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.652 3.697 4.501 1.00 0.00 H new ATOM 787 N PHE A 57 -1.986 0.744 4.748 1.00 0.00 N ATOM 788 CA PHE A 57 -1.238 -0.410 5.261 1.00 0.00 C ATOM 789 C PHE A 57 -2.082 -1.268 6.201 1.00 0.00 C ATOM 790 O PHE A 57 -1.973 -2.493 6.192 1.00 0.00 O ATOM 791 CB PHE A 57 0.032 0.051 5.986 1.00 0.00 C ATOM 792 CG PHE A 57 1.232 0.154 5.087 1.00 0.00 C ATOM 793 CD1 PHE A 57 1.367 1.220 4.212 1.00 0.00 C ATOM 794 CD2 PHE A 57 2.222 -0.817 5.111 1.00 0.00 C ATOM 795 CE1 PHE A 57 2.465 1.315 3.380 1.00 0.00 C ATOM 796 CE2 PHE A 57 3.323 -0.726 4.280 1.00 0.00 C ATOM 797 CZ PHE A 57 3.444 0.342 3.414 1.00 0.00 C ATOM 0 H PHE A 57 -1.525 1.641 4.898 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.966 -1.021 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.153 1.023 6.444 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.252 -0.646 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.605 1.985 4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.132 -1.654 5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.558 2.151 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.087 -1.489 4.308 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.303 0.416 2.764 1.00 0.00 H new ATOM 807 N LYS A 58 -2.923 -0.623 7.007 1.00 0.00 N ATOM 808 CA LYS A 58 -3.781 -1.344 7.947 1.00 0.00 C ATOM 809 C LYS A 58 -4.840 -2.153 7.205 1.00 0.00 C ATOM 810 O LYS A 58 -5.092 -3.310 7.538 1.00 0.00 O ATOM 811 CB LYS A 58 -4.444 -0.371 8.926 1.00 0.00 C ATOM 812 CG LYS A 58 -3.475 0.630 9.531 1.00 0.00 C ATOM 813 CD LYS A 58 -2.895 0.122 10.842 1.00 0.00 C ATOM 814 CE LYS A 58 -3.595 0.739 12.045 1.00 0.00 C ATOM 815 NZ LYS A 58 -5.022 0.316 12.142 1.00 0.00 N ATOM 0 H LYS A 58 -3.029 0.391 7.029 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.156 -2.035 8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.237 0.169 8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.916 -0.939 9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.667 0.827 8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.987 1.577 9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.988 -0.963 10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.831 0.353 10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.070 0.452 12.956 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.543 1.826 11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.460 0.759 12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.531 0.612 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.072 -0.719 12.234 1.00 0.00 H new ATOM 829 N LYS A 59 -5.448 -1.536 6.195 1.00 0.00 N ATOM 830 CA LYS A 59 -6.477 -2.201 5.395 1.00 0.00 C ATOM 831 C LYS A 59 -5.900 -3.410 4.656 1.00 0.00 C ATOM 832 O LYS A 59 -6.521 -4.473 4.617 1.00 0.00 O ATOM 833 CB LYS A 59 -7.105 -1.222 4.394 1.00 0.00 C ATOM 834 CG LYS A 59 -8.623 -1.158 4.475 1.00 0.00 C ATOM 835 CD LYS A 59 -9.095 -0.013 5.362 1.00 0.00 C ATOM 836 CE LYS A 59 -9.798 1.072 4.555 1.00 0.00 C ATOM 837 NZ LYS A 59 -10.960 1.650 5.288 1.00 0.00 N ATOM 0 H LYS A 59 -5.247 -0.577 5.910 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.253 -2.551 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.698 -0.226 4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.815 -1.512 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.035 -1.036 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.006 -2.101 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.774 -0.398 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.241 0.418 5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.088 1.865 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.138 0.655 3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.409 2.384 4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.650 0.899 5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.633 2.071 6.181 1.00 0.00 H new ATOM 851 N ILE A 60 -4.709 -3.245 4.078 1.00 0.00 N ATOM 852 CA ILE A 60 -4.052 -4.329 3.347 1.00 0.00 C ATOM 853 C ILE A 60 -3.593 -5.434 4.300 1.00 0.00 C ATOM 854 O ILE A 60 -3.820 -6.617 4.042 1.00 0.00 O ATOM 855 CB ILE A 60 -2.835 -3.824 2.536 1.00 0.00 C ATOM 856 CG1 ILE A 60 -3.226 -2.626 1.664 1.00 0.00 C ATOM 857 CG2 ILE A 60 -2.264 -4.944 1.673 1.00 0.00 C ATOM 858 CD1 ILE A 60 -2.098 -1.639 1.447 1.00 0.00 C ATOM 0 H ILE A 60 -4.181 -2.373 4.102 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.791 -4.729 2.653 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.067 -3.503 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.571 -2.989 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.066 -2.109 2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.409 -4.570 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.946 -5.769 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.029 -5.295 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.448 -0.818 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.768 -1.247 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.265 -2.141 0.955 1.00 0.00 H new ATOM 870 N LYS A 61 -2.946 -5.041 5.400 1.00 0.00 N ATOM 871 CA LYS A 61 -2.453 -6.002 6.386 1.00 0.00 C ATOM 872 C LYS A 61 -3.600 -6.817 6.987 1.00 0.00 C ATOM 873 O LYS A 61 -3.481 -8.030 7.156 1.00 0.00 O ATOM 874 CB LYS A 61 -1.678 -5.285 7.497 1.00 0.00 C ATOM 875 CG LYS A 61 -0.264 -4.890 7.095 1.00 0.00 C ATOM 876 CD LYS A 61 0.751 -5.266 8.164 1.00 0.00 C ATOM 877 CE LYS A 61 1.427 -6.593 7.853 1.00 0.00 C ATOM 878 NZ LYS A 61 2.296 -6.516 6.643 1.00 0.00 N ATOM 0 H LYS A 61 -2.752 -4.066 5.629 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.780 -6.688 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.226 -4.390 7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.631 -5.933 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.002 -5.379 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.223 -3.816 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.505 -4.483 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.254 -5.328 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.027 -6.902 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.666 -7.359 7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.054 -7.224 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.726 -6.704 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.714 -5.566 6.576 1.00 0.00 H new ATOM 892 N GLU A 62 -4.711 -6.149 7.302 1.00 0.00 N ATOM 893 CA GLU A 62 -5.872 -6.828 7.874 1.00 0.00 C ATOM 894 C GLU A 62 -6.511 -7.771 6.855 1.00 0.00 C ATOM 895 O GLU A 62 -6.958 -8.863 7.208 1.00 0.00 O ATOM 896 CB GLU A 62 -6.904 -5.809 8.367 1.00 0.00 C ATOM 897 CG GLU A 62 -6.794 -5.505 9.854 1.00 0.00 C ATOM 898 CD GLU A 62 -7.745 -6.333 10.699 1.00 0.00 C ATOM 899 OE1 GLU A 62 -8.953 -6.368 10.378 1.00 0.00 O ATOM 900 OE2 GLU A 62 -7.280 -6.950 11.682 1.00 0.00 O ATOM 0 H GLU A 62 -4.830 -5.144 7.171 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.529 -7.419 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.785 -4.883 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.905 -6.185 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.771 -5.688 10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.997 -4.447 10.019 1.00 0.00 H new ATOM 907 N ARG A 63 -6.550 -7.346 5.590 1.00 0.00 N ATOM 908 CA ARG A 63 -7.133 -8.160 4.526 1.00 0.00 C ATOM 909 C ARG A 63 -6.344 -9.455 4.330 1.00 0.00 C ATOM 910 O ARG A 63 -6.927 -10.536 4.243 1.00 0.00 O ATOM 911 CB ARG A 63 -7.180 -7.367 3.214 1.00 0.00 C ATOM 912 CG ARG A 63 -8.591 -7.104 2.711 1.00 0.00 C ATOM 913 CD ARG A 63 -9.195 -5.862 3.353 1.00 0.00 C ATOM 914 NE ARG A 63 -10.657 -5.859 3.274 1.00 0.00 N ATOM 915 CZ ARG A 63 -11.415 -4.767 3.420 1.00 0.00 C ATOM 916 NH1 ARG A 63 -10.857 -3.582 3.655 1.00 0.00 N ATOM 917 NH2 ARG A 63 -12.736 -4.863 3.330 1.00 0.00 N ATOM 0 H ARG A 63 -6.185 -6.445 5.280 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.150 -8.421 4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.671 -6.414 3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.627 -7.913 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.575 -6.983 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.221 -7.967 2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.888 -5.808 4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.804 -4.972 2.860 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.127 -6.746 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.843 -3.501 3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.444 -2.755 3.765 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.170 -5.768 3.150 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.316 -4.032 3.441 1.00 0.00 H new ATOM 931 N ILE A 64 -5.015 -9.342 4.271 1.00 0.00 N ATOM 932 CA ILE A 64 -4.156 -10.513 4.095 1.00 0.00 C ATOM 933 C ILE A 64 -4.193 -11.429 5.324 1.00 0.00 C ATOM 934 O ILE A 64 -3.959 -12.634 5.208 1.00 0.00 O ATOM 935 CB ILE A 64 -2.696 -10.114 3.764 1.00 0.00 C ATOM 936 CG1 ILE A 64 -1.853 -11.360 3.473 1.00 0.00 C ATOM 937 CG2 ILE A 64 -2.076 -9.298 4.892 1.00 0.00 C ATOM 938 CD1 ILE A 64 -0.477 -11.054 2.920 1.00 0.00 C ATOM 0 H ILE A 64 -4.514 -8.457 4.342 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.554 -11.066 3.244 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.713 -9.489 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.745 -11.936 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.387 -11.991 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.052 -9.034 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.657 -8.389 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.075 -9.887 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.058 -11.986 2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.575 -10.505 1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.078 -10.450 3.638 1.00 0.00 H new ATOM 950 N ARG A 65 -4.502 -10.858 6.495 1.00 0.00 N ATOM 951 CA ARG A 65 -4.585 -11.637 7.735 1.00 0.00 C ATOM 952 C ARG A 65 -5.552 -12.815 7.579 1.00 0.00 C ATOM 953 O ARG A 65 -5.338 -13.884 8.152 1.00 0.00 O ATOM 954 CB ARG A 65 -5.036 -10.745 8.899 1.00 0.00 C ATOM 955 CG ARG A 65 -4.223 -10.938 10.171 1.00 0.00 C ATOM 956 CD ARG A 65 -5.107 -10.910 11.410 1.00 0.00 C ATOM 957 NE ARG A 65 -4.332 -10.685 12.630 1.00 0.00 N ATOM 958 CZ ARG A 65 -3.908 -9.484 13.037 1.00 0.00 C ATOM 959 NH1 ARG A 65 -4.181 -8.391 12.324 1.00 0.00 N ATOM 960 NH2 ARG A 65 -3.207 -9.376 14.161 1.00 0.00 N ATOM 0 H ARG A 65 -4.698 -9.863 6.609 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.591 -12.030 7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.970 -9.701 8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.085 -10.948 9.115 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.692 -11.889 10.123 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.468 -10.155 10.244 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.854 -10.123 11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.647 -11.853 11.492 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.101 -11.494 13.206 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.718 -8.467 11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.853 -7.479 12.643 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.994 -10.208 14.711 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.882 -8.461 14.474 1.00 0.00 H new ATOM 974 N ASN A 66 -6.612 -12.611 6.791 1.00 0.00 N ATOM 975 CA ASN A 66 -7.609 -13.653 6.541 1.00 0.00 C ATOM 976 C ASN A 66 -7.342 -14.371 5.209 1.00 0.00 C ATOM 977 O ASN A 66 -8.200 -15.102 4.712 1.00 0.00 O ATOM 978 CB ASN A 66 -9.015 -13.043 6.532 1.00 0.00 C ATOM 979 CG ASN A 66 -10.081 -14.022 6.988 1.00 0.00 C ATOM 980 OD1 ASN A 66 -10.887 -14.495 6.186 1.00 0.00 O ATOM 981 ND2 ASN A 66 -10.095 -14.331 8.280 1.00 0.00 N ATOM 0 H ASN A 66 -6.801 -11.729 6.314 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.538 -14.387 7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.031 -12.167 7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.251 -12.698 5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.792 -14.983 8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.409 -13.917 8.911 1.00 0.00 H new ATOM 988 N HIS A 67 -6.152 -14.151 4.633 1.00 0.00 N ATOM 989 CA HIS A 67 -5.768 -14.764 3.360 1.00 0.00 C ATOM 990 C HIS A 67 -6.653 -14.259 2.217 1.00 0.00 C ATOM 991 O HIS A 67 -7.248 -15.050 1.481 1.00 0.00 O ATOM 992 CB HIS A 67 -5.831 -16.295 3.453 1.00 0.00 C ATOM 993 CG HIS A 67 -4.797 -16.894 4.360 1.00 0.00 C ATOM 994 ND1 HIS A 67 -3.686 -16.203 4.801 1.00 0.00 N ATOM 995 CD2 HIS A 67 -4.708 -18.132 4.904 1.00 0.00 C ATOM 996 CE1 HIS A 67 -2.961 -16.991 5.576 1.00 0.00 C ATOM 997 NE2 HIS A 67 -3.560 -18.165 5.655 1.00 0.00 N ATOM 0 H HIS A 67 -5.435 -13.547 5.035 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.739 -14.474 3.146 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.821 -16.587 3.804 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.711 -16.715 2.454 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.410 -18.942 4.771 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.035 -16.720 6.062 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.224 -18.967 6.188 1.00 0.00 H new ATOM 1006 N LYS A 68 -6.729 -12.935 2.073 1.00 0.00 N ATOM 1007 CA LYS A 68 -7.536 -12.321 1.017 1.00 0.00 C ATOM 1008 C LYS A 68 -6.795 -12.339 -0.319 1.00 0.00 C ATOM 1009 O LYS A 68 -7.369 -12.692 -1.349 1.00 0.00 O ATOM 1010 CB LYS A 68 -7.902 -10.881 1.389 1.00 0.00 C ATOM 1011 CG LYS A 68 -9.176 -10.771 2.214 1.00 0.00 C ATOM 1012 CD LYS A 68 -10.400 -10.574 1.332 1.00 0.00 C ATOM 1013 CE LYS A 68 -10.656 -9.101 1.047 1.00 0.00 C ATOM 1014 NZ LYS A 68 -11.805 -8.900 0.116 1.00 0.00 N ATOM 0 H LYS A 68 -6.243 -12.268 2.673 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.451 -12.905 0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.078 -10.438 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.018 -10.297 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.301 -11.673 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.089 -9.935 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.261 -11.108 0.392 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.273 -11.008 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.854 -8.580 1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.759 -8.654 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.943 -7.883 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.607 -9.375 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.667 -9.303 0.536 1.00 0.00 H new ATOM 1028 N TYR A 69 -5.520 -11.952 -0.296 1.00 0.00 N ATOM 1029 CA TYR A 69 -4.704 -11.921 -1.507 1.00 0.00 C ATOM 1030 C TYR A 69 -4.106 -13.297 -1.799 1.00 0.00 C ATOM 1031 O TYR A 69 -3.014 -13.623 -1.330 1.00 0.00 O ATOM 1032 CB TYR A 69 -3.586 -10.882 -1.373 1.00 0.00 C ATOM 1033 CG TYR A 69 -4.072 -9.498 -0.994 1.00 0.00 C ATOM 1034 CD1 TYR A 69 -5.049 -8.852 -1.744 1.00 0.00 C ATOM 1035 CD2 TYR A 69 -3.555 -8.838 0.114 1.00 0.00 C ATOM 1036 CE1 TYR A 69 -5.492 -7.588 -1.402 1.00 0.00 C ATOM 1037 CE2 TYR A 69 -3.995 -7.575 0.463 1.00 0.00 C ATOM 1038 CZ TYR A 69 -4.963 -6.954 -0.299 1.00 0.00 C ATOM 1039 OH TYR A 69 -5.401 -5.695 0.046 1.00 0.00 O ATOM 0 H TYR A 69 -5.031 -11.656 0.549 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.349 -11.642 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.874 -11.224 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -3.047 -10.820 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.469 -9.346 -2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.796 -9.320 0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.250 -7.099 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.583 -7.077 1.328 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.147 -5.057 -0.654 1.00 0.00 H new ATOM 1049 N ARG A 70 -4.828 -14.099 -2.582 1.00 0.00 N ATOM 1050 CA ARG A 70 -4.367 -15.439 -2.944 1.00 0.00 C ATOM 1051 C ARG A 70 -3.204 -15.372 -3.936 1.00 0.00 C ATOM 1052 O ARG A 70 -2.304 -16.213 -3.901 1.00 0.00 O ATOM 1053 CB ARG A 70 -5.518 -16.263 -3.532 1.00 0.00 C ATOM 1054 CG ARG A 70 -6.072 -17.306 -2.571 1.00 0.00 C ATOM 1055 CD ARG A 70 -6.402 -18.610 -3.281 1.00 0.00 C ATOM 1056 NE ARG A 70 -7.815 -18.969 -3.145 1.00 0.00 N ATOM 1057 CZ ARG A 70 -8.361 -19.467 -2.031 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -7.621 -19.658 -0.941 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -9.654 -19.773 -2.005 1.00 0.00 N ATOM 0 H ARG A 70 -5.733 -13.844 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.013 -15.928 -2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.322 -15.589 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.172 -16.762 -4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.344 -17.496 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.969 -16.917 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.151 -18.520 -4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.784 -19.410 -2.874 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.422 -18.830 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.628 -19.424 -0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.047 -20.038 -0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.229 -19.628 -2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.071 -20.153 -1.155 1.00 0.00 H new ATOM 1073 N SER A 71 -3.226 -14.367 -4.814 1.00 0.00 N ATOM 1074 CA SER A 71 -2.170 -14.190 -5.809 1.00 0.00 C ATOM 1075 C SER A 71 -1.363 -12.925 -5.525 1.00 0.00 C ATOM 1076 O SER A 71 -1.886 -11.953 -4.977 1.00 0.00 O ATOM 1077 CB SER A 71 -2.762 -14.125 -7.223 1.00 0.00 C ATOM 1078 OG SER A 71 -4.051 -13.534 -7.216 1.00 0.00 O ATOM 0 H SER A 71 -3.964 -13.664 -4.855 1.00 0.00 H new ATOM 0 HA SER A 71 -1.504 -15.051 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.100 -13.550 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.823 -15.130 -7.641 1.00 0.00 H new ATOM 0 HG SER A 71 -4.402 -13.504 -8.130 1.00 0.00 H new ATOM 1084 N LEU A 72 -0.086 -12.942 -5.910 1.00 0.00 N ATOM 1085 CA LEU A 72 0.797 -11.792 -5.706 1.00 0.00 C ATOM 1086 C LEU A 72 0.326 -10.583 -6.521 1.00 0.00 C ATOM 1087 O LEU A 72 0.621 -9.441 -6.173 1.00 0.00 O ATOM 1088 CB LEU A 72 2.240 -12.147 -6.084 1.00 0.00 C ATOM 1089 CG LEU A 72 2.972 -13.045 -5.081 1.00 0.00 C ATOM 1090 CD1 LEU A 72 2.529 -14.493 -5.234 1.00 0.00 C ATOM 1091 CD2 LEU A 72 4.479 -12.924 -5.257 1.00 0.00 C ATOM 0 H LEU A 72 0.360 -13.739 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 72 0.762 -11.529 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.234 -12.643 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.806 -11.223 -6.202 1.00 0.00 H new ATOM 0 HG LEU A 72 2.716 -12.714 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.060 -15.114 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.456 -14.566 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.753 -14.837 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.982 -13.569 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.753 -13.227 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.783 -11.890 -5.093 1.00 0.00 H new ATOM 1103 N ASN A 73 -0.409 -10.844 -7.606 1.00 0.00 N ATOM 1104 CA ASN A 73 -0.925 -9.779 -8.464 1.00 0.00 C ATOM 1105 C ASN A 73 -1.879 -8.854 -7.702 1.00 0.00 C ATOM 1106 O ASN A 73 -1.902 -7.646 -7.944 1.00 0.00 O ATOM 1107 CB ASN A 73 -1.639 -10.372 -9.681 1.00 0.00 C ATOM 1108 CG ASN A 73 -1.187 -9.735 -10.980 1.00 0.00 C ATOM 1109 OD1 ASN A 73 -0.053 -9.929 -11.418 1.00 0.00 O ATOM 1110 ND2 ASN A 73 -2.072 -8.968 -11.607 1.00 0.00 N ATOM 0 H ASN A 73 -0.659 -11.785 -7.909 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.073 -9.187 -8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.453 -11.445 -9.721 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.715 -10.239 -9.569 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.822 -8.514 -12.485 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.002 -8.833 -11.210 1.00 0.00 H new ATOM 1117 N ASP A 74 -2.669 -9.427 -6.788 1.00 0.00 N ATOM 1118 CA ASP A 74 -3.628 -8.643 -6.003 1.00 0.00 C ATOM 1119 C ASP A 74 -2.916 -7.573 -5.178 1.00 0.00 C ATOM 1120 O ASP A 74 -3.258 -6.391 -5.252 1.00 0.00 O ATOM 1121 CB ASP A 74 -4.439 -9.551 -5.068 1.00 0.00 C ATOM 1122 CG ASP A 74 -5.222 -10.628 -5.800 1.00 0.00 C ATOM 1123 OD1 ASP A 74 -5.685 -10.369 -6.933 1.00 0.00 O ATOM 1124 OD2 ASP A 74 -5.374 -11.733 -5.236 1.00 0.00 O ATOM 0 H ASP A 74 -2.664 -10.424 -6.574 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.305 -8.156 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.762 -10.025 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.131 -8.939 -4.490 1.00 0.00 H new ATOM 1129 N LEU A 75 -1.921 -7.995 -4.398 1.00 0.00 N ATOM 1130 CA LEU A 75 -1.158 -7.068 -3.564 1.00 0.00 C ATOM 1131 C LEU A 75 -0.277 -6.159 -4.421 1.00 0.00 C ATOM 1132 O LEU A 75 -0.113 -4.978 -4.113 1.00 0.00 O ATOM 1133 CB LEU A 75 -0.306 -7.824 -2.533 1.00 0.00 C ATOM 1134 CG LEU A 75 0.373 -9.103 -3.037 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.852 -9.096 -2.684 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.315 -10.335 -2.460 1.00 0.00 C ATOM 0 H LEU A 75 -1.626 -8.969 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.872 -6.445 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.464 -7.149 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.940 -8.082 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 75 0.282 -9.138 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.318 -10.011 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.333 -8.234 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.967 -9.037 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.180 -11.234 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.256 -10.308 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.361 -10.345 -2.767 1.00 0.00 H new ATOM 1148 N GLU A 76 0.276 -6.710 -5.506 1.00 0.00 N ATOM 1149 CA GLU A 76 1.126 -5.934 -6.411 1.00 0.00 C ATOM 1150 C GLU A 76 0.354 -4.756 -7.001 1.00 0.00 C ATOM 1151 O GLU A 76 0.838 -3.624 -7.001 1.00 0.00 O ATOM 1152 CB GLU A 76 1.659 -6.819 -7.540 1.00 0.00 C ATOM 1153 CG GLU A 76 2.896 -7.614 -7.158 1.00 0.00 C ATOM 1154 CD GLU A 76 3.358 -8.537 -8.269 1.00 0.00 C ATOM 1155 OE1 GLU A 76 3.863 -8.029 -9.292 1.00 0.00 O ATOM 1156 OE2 GLU A 76 3.230 -9.768 -8.108 1.00 0.00 O ATOM 0 H GLU A 76 0.151 -7.685 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 76 1.967 -5.550 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.875 -7.510 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.891 -6.193 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.702 -6.926 -6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.685 -8.202 -6.265 1.00 0.00 H new ATOM 1163 N LYS A 77 -0.853 -5.031 -7.497 1.00 0.00 N ATOM 1164 CA LYS A 77 -1.700 -3.994 -8.082 1.00 0.00 C ATOM 1165 C LYS A 77 -2.101 -2.956 -7.034 1.00 0.00 C ATOM 1166 O LYS A 77 -2.285 -1.782 -7.356 1.00 0.00 O ATOM 1167 CB LYS A 77 -2.951 -4.616 -8.705 1.00 0.00 C ATOM 1168 CG LYS A 77 -2.691 -5.294 -10.040 1.00 0.00 C ATOM 1169 CD LYS A 77 -3.921 -5.268 -10.934 1.00 0.00 C ATOM 1170 CE LYS A 77 -3.840 -4.147 -11.960 1.00 0.00 C ATOM 1171 NZ LYS A 77 -4.612 -4.465 -13.194 1.00 0.00 N ATOM 0 H LYS A 77 -1.265 -5.964 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.126 -3.492 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.368 -5.346 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.704 -3.839 -8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.863 -4.797 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.386 -6.327 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.020 -6.225 -11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.814 -5.139 -10.323 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.221 -3.225 -11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.797 -3.968 -12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.531 -3.676 -13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.232 -5.331 -13.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.612 -4.610 -12.950 1.00 0.00 H new ATOM 1185 N ASP A 78 -2.232 -3.396 -5.780 1.00 0.00 N ATOM 1186 CA ASP A 78 -2.608 -2.503 -4.688 1.00 0.00 C ATOM 1187 C ASP A 78 -1.540 -1.432 -4.474 1.00 0.00 C ATOM 1188 O ASP A 78 -1.855 -0.254 -4.314 1.00 0.00 O ATOM 1189 CB ASP A 78 -2.813 -3.297 -3.391 1.00 0.00 C ATOM 1190 CG ASP A 78 -3.896 -2.705 -2.505 1.00 0.00 C ATOM 1191 OD1 ASP A 78 -3.904 -1.470 -2.314 1.00 0.00 O ATOM 1192 OD2 ASP A 78 -4.733 -3.481 -1.996 1.00 0.00 O ATOM 0 H ASP A 78 -2.083 -4.365 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.545 -2.016 -4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.074 -4.326 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.874 -3.330 -2.838 1.00 0.00 H new ATOM 1197 N VAL A 79 -0.277 -1.854 -4.478 1.00 0.00 N ATOM 1198 CA VAL A 79 0.844 -0.933 -4.287 1.00 0.00 C ATOM 1199 C VAL A 79 0.901 0.099 -5.413 1.00 0.00 C ATOM 1200 O VAL A 79 1.053 1.297 -5.159 1.00 0.00 O ATOM 1201 CB VAL A 79 2.190 -1.687 -4.215 1.00 0.00 C ATOM 1202 CG1 VAL A 79 3.330 -0.729 -3.893 1.00 0.00 C ATOM 1203 CG2 VAL A 79 2.122 -2.813 -3.187 1.00 0.00 C ATOM 0 H VAL A 79 -0.003 -2.827 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 79 0.679 -0.422 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 79 2.386 -2.129 -5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.268 -1.282 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.395 0.033 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.143 -0.251 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.080 -3.332 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.899 -2.396 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.339 -3.516 -3.469 1.00 0.00 H new ATOM 1213 N MET A 80 0.768 -0.368 -6.655 1.00 0.00 N ATOM 1214 CA MET A 80 0.797 0.520 -7.816 1.00 0.00 C ATOM 1215 C MET A 80 -0.407 1.463 -7.803 1.00 0.00 C ATOM 1216 O MET A 80 -0.266 2.662 -8.048 1.00 0.00 O ATOM 1217 CB MET A 80 0.813 -0.294 -9.114 1.00 0.00 C ATOM 1218 CG MET A 80 2.170 -0.901 -9.441 1.00 0.00 C ATOM 1219 SD MET A 80 2.044 -2.333 -10.530 1.00 0.00 S ATOM 1220 CE MET A 80 3.605 -3.148 -10.200 1.00 0.00 C ATOM 0 H MET A 80 0.639 -1.354 -6.882 1.00 0.00 H new ATOM 0 HA MET A 80 1.708 1.117 -7.765 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.076 -1.094 -9.040 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.504 0.348 -9.939 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.798 -0.145 -9.912 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.665 -1.195 -8.516 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.816 -3.865 -10.993 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.402 -2.405 -10.160 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.548 -3.670 -9.245 1.00 0.00 H new ATOM 1230 N LEU A 81 -1.588 0.914 -7.502 1.00 0.00 N ATOM 1231 CA LEU A 81 -2.815 1.707 -7.444 1.00 0.00 C ATOM 1232 C LEU A 81 -2.706 2.797 -6.374 1.00 0.00 C ATOM 1233 O LEU A 81 -3.170 3.920 -6.573 1.00 0.00 O ATOM 1234 CB LEU A 81 -4.023 0.806 -7.159 1.00 0.00 C ATOM 1235 CG LEU A 81 -5.389 1.497 -7.244 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -6.018 1.280 -8.614 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -6.311 0.988 -6.144 1.00 0.00 C ATOM 0 H LEU A 81 -1.718 -0.076 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.956 2.186 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.010 -0.025 -7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.911 0.380 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.242 2.568 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.987 1.779 -8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.366 1.694 -9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.152 0.212 -8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.277 1.488 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.450 -0.087 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.867 1.198 -5.171 1.00 0.00 H new ATOM 1249 N LEU A 82 -2.084 2.460 -5.244 1.00 0.00 N ATOM 1250 CA LEU A 82 -1.908 3.413 -4.149 1.00 0.00 C ATOM 1251 C LEU A 82 -1.029 4.589 -4.579 1.00 0.00 C ATOM 1252 O LEU A 82 -1.330 5.742 -4.266 1.00 0.00 O ATOM 1253 CB LEU A 82 -1.289 2.720 -2.929 1.00 0.00 C ATOM 1254 CG LEU A 82 -1.978 3.012 -1.595 1.00 0.00 C ATOM 1255 CD1 LEU A 82 -1.817 1.837 -0.640 1.00 0.00 C ATOM 1256 CD2 LEU A 82 -1.425 4.290 -0.977 1.00 0.00 C ATOM 0 H LEU A 82 -1.694 1.535 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.892 3.797 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.301 1.643 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.244 3.019 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.042 3.155 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.314 2.064 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.264 0.946 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.757 1.659 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.927 4.482 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.355 4.177 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.598 5.126 -1.655 1.00 0.00 H new ATOM 1268 N CYS A 83 0.057 4.293 -5.298 1.00 0.00 N ATOM 1269 CA CYS A 83 0.976 5.330 -5.767 1.00 0.00 C ATOM 1270 C CYS A 83 0.276 6.303 -6.714 1.00 0.00 C ATOM 1271 O CYS A 83 0.408 7.520 -6.572 1.00 0.00 O ATOM 1272 CB CYS A 83 2.187 4.702 -6.466 1.00 0.00 C ATOM 1273 SG CYS A 83 3.554 4.298 -5.353 1.00 0.00 S ATOM 0 H CYS A 83 0.320 3.345 -5.567 1.00 0.00 H new ATOM 0 HA CYS A 83 1.318 5.886 -4.894 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.868 3.793 -6.977 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.547 5.388 -7.232 1.00 0.00 H new ATOM 0 HG CYS A 83 4.528 3.771 -6.035 1.00 0.00 H new ATOM 1279 N GLN A 84 -0.471 5.763 -7.679 1.00 0.00 N ATOM 1280 CA GLN A 84 -1.192 6.596 -8.642 1.00 0.00 C ATOM 1281 C GLN A 84 -2.282 7.411 -7.953 1.00 0.00 C ATOM 1282 O GLN A 84 -2.478 8.585 -8.269 1.00 0.00 O ATOM 1283 CB GLN A 84 -1.801 5.748 -9.764 1.00 0.00 C ATOM 1284 CG GLN A 84 -2.718 4.636 -9.279 1.00 0.00 C ATOM 1285 CD GLN A 84 -3.351 3.867 -10.422 1.00 0.00 C ATOM 1286 OE1 GLN A 84 -4.651 3.609 -10.322 1.00 0.00 O flip ATOM 1287 NE2 GLN A 84 -2.679 3.506 -11.388 1.00 0.00 N flip ATOM 0 H GLN A 84 -0.592 4.759 -7.814 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.469 7.283 -9.083 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.362 6.400 -10.433 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.994 5.308 -10.350 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.150 3.948 -8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.502 5.063 -8.654 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.683 3.724 -11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.118 2.989 -12.150 1.00 0.00 H new ATOM 1296 N ASN A 85 -2.982 6.785 -7.004 1.00 0.00 N ATOM 1297 CA ASN A 85 -4.046 7.461 -6.264 1.00 0.00 C ATOM 1298 C ASN A 85 -3.482 8.653 -5.494 1.00 0.00 C ATOM 1299 O ASN A 85 -4.122 9.701 -5.401 1.00 0.00 O ATOM 1300 CB ASN A 85 -4.738 6.493 -5.299 1.00 0.00 C ATOM 1301 CG ASN A 85 -6.161 6.161 -5.717 1.00 0.00 C ATOM 1302 OD1 ASN A 85 -6.798 6.915 -6.454 1.00 0.00 O ATOM 1303 ND2 ASN A 85 -6.671 5.029 -5.241 1.00 0.00 N ATOM 0 H ASN A 85 -2.831 5.814 -6.732 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.784 7.820 -6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.158 5.572 -5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.750 6.929 -4.300 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.624 4.757 -5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.110 4.433 -4.633 1.00 0.00 H new ATOM 1310 N ALA A 86 -2.275 8.485 -4.954 1.00 0.00 N ATOM 1311 CA ALA A 86 -1.614 9.547 -4.205 1.00 0.00 C ATOM 1312 C ALA A 86 -1.225 10.701 -5.126 1.00 0.00 C ATOM 1313 O ALA A 86 -1.362 11.867 -4.758 1.00 0.00 O ATOM 1314 CB ALA A 86 -0.384 9.008 -3.491 1.00 0.00 C ATOM 0 H ALA A 86 -1.737 7.621 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.316 9.923 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.097 9.814 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.681 8.219 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.314 8.604 -4.224 1.00 0.00 H new ATOM 1320 N GLN A 87 -0.745 10.368 -6.325 1.00 0.00 N ATOM 1321 CA GLN A 87 -0.340 11.380 -7.299 1.00 0.00 C ATOM 1322 C GLN A 87 -1.527 12.240 -7.746 1.00 0.00 C ATOM 1323 O GLN A 87 -1.351 13.403 -8.107 1.00 0.00 O ATOM 1324 CB GLN A 87 0.331 10.725 -8.513 1.00 0.00 C ATOM 1325 CG GLN A 87 1.841 10.927 -8.547 1.00 0.00 C ATOM 1326 CD GLN A 87 2.620 9.641 -8.336 1.00 0.00 C ATOM 1327 OE1 GLN A 87 2.133 8.545 -8.623 1.00 0.00 O ATOM 1328 NE2 GLN A 87 3.844 9.767 -7.834 1.00 0.00 N ATOM 0 H GLN A 87 -0.628 9.406 -6.644 1.00 0.00 H new ATOM 0 HA GLN A 87 0.381 12.035 -6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.114 9.657 -8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.104 11.134 -9.425 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.122 11.361 -9.507 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.123 11.646 -7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.210 10.692 -7.610 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.417 8.939 -7.673 1.00 0.00 H new ATOM 1337 N THR A 88 -2.735 11.670 -7.718 1.00 0.00 N ATOM 1338 CA THR A 88 -3.939 12.404 -8.119 1.00 0.00 C ATOM 1339 C THR A 88 -4.304 13.479 -7.090 1.00 0.00 C ATOM 1340 O THR A 88 -4.759 14.564 -7.453 1.00 0.00 O ATOM 1341 CB THR A 88 -5.125 11.451 -8.304 1.00 0.00 C ATOM 1342 OG1 THR A 88 -4.690 10.127 -8.571 1.00 0.00 O ATOM 1343 CG2 THR A 88 -6.047 11.867 -9.427 1.00 0.00 C ATOM 0 H THR A 88 -2.905 10.708 -7.424 1.00 0.00 H new ATOM 0 HA THR A 88 -3.719 12.889 -9.070 1.00 0.00 H new ATOM 0 HB THR A 88 -5.672 11.493 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.469 9.543 -8.682 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.867 11.153 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.449 12.859 -9.219 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.491 11.890 -10.364 1.00 0.00 H new ATOM 1351 N PHE A 89 -4.105 13.170 -5.808 1.00 0.00 N ATOM 1352 CA PHE A 89 -4.416 14.107 -4.729 1.00 0.00 C ATOM 1353 C PHE A 89 -3.224 15.023 -4.442 1.00 0.00 C ATOM 1354 O PHE A 89 -3.395 16.210 -4.159 1.00 0.00 O ATOM 1355 CB PHE A 89 -4.805 13.330 -3.465 1.00 0.00 C ATOM 1356 CG PHE A 89 -5.298 14.195 -2.336 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -4.405 14.808 -1.472 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -6.657 14.388 -2.135 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -4.856 15.599 -0.432 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -7.113 15.177 -1.097 1.00 0.00 C ATOM 1361 CZ PHE A 89 -6.212 15.784 -0.244 1.00 0.00 C ATOM 0 H PHE A 89 -3.729 12.276 -5.492 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.254 14.730 -5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.581 12.608 -3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.941 12.761 -3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.344 14.666 -1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.367 13.916 -2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.149 16.072 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.174 15.319 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.567 16.402 0.568 1.00 0.00 H new ATOM 1371 N ASN A 90 -2.019 14.457 -4.518 1.00 0.00 N ATOM 1372 CA ASN A 90 -0.790 15.207 -4.268 1.00 0.00 C ATOM 1373 C ASN A 90 -0.297 15.906 -5.541 1.00 0.00 C ATOM 1374 O ASN A 90 -0.726 15.573 -6.647 1.00 0.00 O ATOM 1375 CB ASN A 90 0.289 14.264 -3.724 1.00 0.00 C ATOM 1376 CG ASN A 90 1.484 15.002 -3.152 1.00 0.00 C ATOM 1377 OD1 ASN A 90 1.232 15.893 -2.197 1.00 0.00 O flip ATOM 1378 ND2 ASN A 90 2.621 14.774 -3.559 1.00 0.00 N flip ATOM 0 H ASN A 90 -1.869 13.476 -4.752 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.001 15.978 -3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.145 13.631 -2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.625 13.604 -4.524 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.771 14.082 -4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.415 15.277 -3.162 1.00 0.00 H new ATOM 1385 N LEU A 91 0.608 16.875 -5.374 1.00 0.00 N ATOM 1386 CA LEU A 91 1.163 17.621 -6.503 1.00 0.00 C ATOM 1387 C LEU A 91 2.635 17.268 -6.719 1.00 0.00 C ATOM 1388 O LEU A 91 3.267 16.641 -5.866 1.00 0.00 O ATOM 1389 CB LEU A 91 1.017 19.129 -6.268 1.00 0.00 C ATOM 1390 CG LEU A 91 -0.246 19.762 -6.862 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -0.735 20.905 -5.984 1.00 0.00 C ATOM 1392 CD2 LEU A 91 0.017 20.253 -8.281 1.00 0.00 C ATOM 0 H LEU A 91 0.971 17.160 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 91 0.606 17.344 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.027 19.316 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.888 19.632 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.025 19.001 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.632 21.342 -6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.965 20.526 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.041 21.667 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.891 20.699 -8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.812 20.998 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.319 19.413 -8.907 1.00 0.00 H new ATOM 1404 N GLU A 92 3.175 17.674 -7.870 1.00 0.00 N ATOM 1405 CA GLU A 92 4.570 17.401 -8.207 1.00 0.00 C ATOM 1406 C GLU A 92 5.501 18.397 -7.522 1.00 0.00 C ATOM 1407 O GLU A 92 5.293 19.610 -7.589 1.00 0.00 O ATOM 1408 CB GLU A 92 4.774 17.454 -9.725 1.00 0.00 C ATOM 1409 CG GLU A 92 3.833 16.545 -10.501 1.00 0.00 C ATOM 1410 CD GLU A 92 3.774 16.895 -11.976 1.00 0.00 C ATOM 1411 OE1 GLU A 92 2.955 17.762 -12.349 1.00 0.00 O ATOM 1412 OE2 GLU A 92 4.547 16.302 -12.758 1.00 0.00 O ATOM 0 H GLU A 92 2.665 18.194 -8.584 1.00 0.00 H new ATOM 0 HA GLU A 92 4.812 16.400 -7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.636 18.480 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.803 17.177 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.157 15.510 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.832 16.613 -10.074 1.00 0.00 H new ATOM 1419 N GLY A 93 6.532 17.870 -6.867 1.00 0.00 N ATOM 1420 CA GLY A 93 7.493 18.713 -6.174 1.00 0.00 C ATOM 1421 C GLY A 93 7.096 18.989 -4.738 1.00 0.00 C ATOM 1422 O GLY A 93 6.652 20.091 -4.411 1.00 0.00 O ATOM 0 H GLY A 93 6.720 16.870 -6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.471 18.232 -6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.593 19.658 -6.708 1.00 0.00 H new ATOM 1426 N SER A 94 7.252 17.983 -3.877 1.00 0.00 N ATOM 1427 CA SER A 94 6.902 18.118 -2.464 1.00 0.00 C ATOM 1428 C SER A 94 7.427 16.935 -1.651 1.00 0.00 C ATOM 1429 O SER A 94 7.925 15.957 -2.213 1.00 0.00 O ATOM 1430 CB SER A 94 5.380 18.228 -2.306 1.00 0.00 C ATOM 1431 OG SER A 94 4.736 17.024 -2.695 1.00 0.00 O ATOM 0 H SER A 94 7.618 17.066 -4.134 1.00 0.00 H new ATOM 0 HA SER A 94 7.370 19.027 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.135 18.456 -1.269 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.008 19.055 -2.911 1.00 0.00 H new ATOM 0 HG SER A 94 3.793 17.206 -2.891 1.00 0.00 H new ATOM 1437 N LEU A 95 7.302 17.026 -0.325 1.00 0.00 N ATOM 1438 CA LEU A 95 7.755 15.955 0.565 1.00 0.00 C ATOM 1439 C LEU A 95 7.007 14.657 0.262 1.00 0.00 C ATOM 1440 O LEU A 95 7.612 13.588 0.189 1.00 0.00 O ATOM 1441 CB LEU A 95 7.551 16.347 2.037 1.00 0.00 C ATOM 1442 CG LEU A 95 8.721 17.090 2.696 1.00 0.00 C ATOM 1443 CD1 LEU A 95 9.999 16.266 2.616 1.00 0.00 C ATOM 1444 CD2 LEU A 95 8.925 18.457 2.056 1.00 0.00 C ATOM 0 H LEU A 95 6.892 17.828 0.155 1.00 0.00 H new ATOM 0 HA LEU A 95 8.820 15.798 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.661 16.973 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.350 15.442 2.610 1.00 0.00 H new ATOM 0 HG LEU A 95 8.475 17.239 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.815 16.813 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.852 15.316 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.246 16.079 1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.760 18.964 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.141 18.333 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.020 19.053 2.175 1.00 0.00 H new ATOM 1456 N ILE A 96 5.689 14.766 0.073 1.00 0.00 N ATOM 1457 CA ILE A 96 4.855 13.606 -0.235 1.00 0.00 C ATOM 1458 C ILE A 96 5.238 13.000 -1.586 1.00 0.00 C ATOM 1459 O ILE A 96 5.301 11.777 -1.730 1.00 0.00 O ATOM 1460 CB ILE A 96 3.350 13.965 -0.251 1.00 0.00 C ATOM 1461 CG1 ILE A 96 2.955 14.703 1.033 1.00 0.00 C ATOM 1462 CG2 ILE A 96 2.507 12.708 -0.421 1.00 0.00 C ATOM 1463 CD1 ILE A 96 1.496 15.109 1.079 1.00 0.00 C ATOM 0 H ILE A 96 5.178 15.647 0.128 1.00 0.00 H new ATOM 0 HA ILE A 96 5.031 12.877 0.556 1.00 0.00 H new ATOM 0 HB ILE A 96 3.165 14.627 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.172 14.065 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.574 15.594 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.451 12.977 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.766 12.221 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.700 12.026 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.292 15.626 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.277 15.773 0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.869 14.220 1.010 1.00 0.00 H new ATOM 1475 N TYR A 97 5.499 13.862 -2.572 1.00 0.00 N ATOM 1476 CA TYR A 97 5.883 13.403 -3.904 1.00 0.00 C ATOM 1477 C TYR A 97 7.200 12.626 -3.852 1.00 0.00 C ATOM 1478 O TYR A 97 7.353 11.609 -4.527 1.00 0.00 O ATOM 1479 CB TYR A 97 6.007 14.586 -4.868 1.00 0.00 C ATOM 1480 CG TYR A 97 6.217 14.177 -6.311 1.00 0.00 C ATOM 1481 CD1 TYR A 97 7.495 13.946 -6.809 1.00 0.00 C ATOM 1482 CD2 TYR A 97 5.140 14.023 -7.174 1.00 0.00 C ATOM 1483 CE1 TYR A 97 7.692 13.575 -8.125 1.00 0.00 C ATOM 1484 CE2 TYR A 97 5.329 13.653 -8.493 1.00 0.00 C ATOM 1485 CZ TYR A 97 6.606 13.429 -8.963 1.00 0.00 C ATOM 1486 OH TYR A 97 6.798 13.061 -10.275 1.00 0.00 O ATOM 0 H TYR A 97 5.451 14.876 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 97 5.102 12.736 -4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.105 15.195 -4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.840 15.214 -4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.348 14.059 -6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.138 14.195 -6.809 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.691 13.400 -8.496 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.481 13.540 -9.152 1.00 0.00 H new ATOM 0 HH TYR A 97 5.931 13.001 -10.728 1.00 0.00 H new ATOM 1496 N GLU A 98 8.146 13.109 -3.043 1.00 0.00 N ATOM 1497 CA GLU A 98 9.444 12.448 -2.906 1.00 0.00 C ATOM 1498 C GLU A 98 9.286 11.041 -2.326 1.00 0.00 C ATOM 1499 O GLU A 98 10.014 10.123 -2.707 1.00 0.00 O ATOM 1500 CB GLU A 98 10.387 13.275 -2.024 1.00 0.00 C ATOM 1501 CG GLU A 98 11.049 14.434 -2.756 1.00 0.00 C ATOM 1502 CD GLU A 98 12.190 13.982 -3.647 1.00 0.00 C ATOM 1503 OE1 GLU A 98 11.914 13.397 -4.715 1.00 0.00 O ATOM 1504 OE2 GLU A 98 13.360 14.212 -3.275 1.00 0.00 O ATOM 0 H GLU A 98 8.038 13.950 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 98 9.879 12.365 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.827 13.666 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.161 12.621 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.304 14.951 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.424 15.153 -2.028 1.00 0.00 H new ATOM 1511 N ASP A 99 8.333 10.878 -1.406 1.00 0.00 N ATOM 1512 CA ASP A 99 8.082 9.581 -0.777 1.00 0.00 C ATOM 1513 C ASP A 99 7.637 8.547 -1.812 1.00 0.00 C ATOM 1514 O ASP A 99 8.098 7.404 -1.796 1.00 0.00 O ATOM 1515 CB ASP A 99 7.015 9.703 0.319 1.00 0.00 C ATOM 1516 CG ASP A 99 7.402 10.672 1.423 1.00 0.00 C ATOM 1517 OD1 ASP A 99 8.585 10.679 1.828 1.00 0.00 O ATOM 1518 OD2 ASP A 99 6.518 11.424 1.886 1.00 0.00 O ATOM 0 H ASP A 99 7.723 11.628 -1.081 1.00 0.00 H new ATOM 0 HA ASP A 99 9.017 9.248 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.077 10.029 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.835 8.720 0.754 1.00 0.00 H new ATOM 1523 N SER A 100 6.740 8.955 -2.712 1.00 0.00 N ATOM 1524 CA SER A 100 6.239 8.059 -3.752 1.00 0.00 C ATOM 1525 C SER A 100 7.378 7.580 -4.655 1.00 0.00 C ATOM 1526 O SER A 100 7.410 6.414 -5.051 1.00 0.00 O ATOM 1527 CB SER A 100 5.150 8.742 -4.593 1.00 0.00 C ATOM 1528 OG SER A 100 5.112 10.142 -4.363 1.00 0.00 O ATOM 0 H SER A 100 6.348 9.896 -2.741 1.00 0.00 H new ATOM 0 HA SER A 100 5.799 7.193 -3.257 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.333 8.551 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.179 8.307 -4.354 1.00 0.00 H new ATOM 0 HG SER A 100 5.992 10.529 -4.555 1.00 0.00 H new ATOM 1534 N ILE A 101 8.317 8.478 -4.967 1.00 0.00 N ATOM 1535 CA ILE A 101 9.455 8.122 -5.812 1.00 0.00 C ATOM 1536 C ILE A 101 10.318 7.059 -5.132 1.00 0.00 C ATOM 1537 O ILE A 101 10.676 6.055 -5.749 1.00 0.00 O ATOM 1538 CB ILE A 101 10.336 9.348 -6.157 1.00 0.00 C ATOM 1539 CG1 ILE A 101 9.489 10.475 -6.759 1.00 0.00 C ATOM 1540 CG2 ILE A 101 11.450 8.947 -7.120 1.00 0.00 C ATOM 1541 CD1 ILE A 101 8.718 10.068 -7.998 1.00 0.00 C ATOM 0 H ILE A 101 8.311 9.447 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 101 9.043 7.727 -6.741 1.00 0.00 H new ATOM 0 HB ILE A 101 10.787 9.715 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.786 10.830 -6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.140 11.313 -7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.061 9.819 -7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 101 12.073 8.181 -6.657 1.00 0.00 H new ATOM 0 HG23 ILE A 101 11.013 8.554 -8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.143 10.919 -8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.415 9.741 -8.769 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.040 9.251 -7.752 1.00 0.00 H new ATOM 1553 N VAL A 102 10.640 7.284 -3.858 1.00 0.00 N ATOM 1554 CA VAL A 102 11.452 6.341 -3.091 1.00 0.00 C ATOM 1555 C VAL A 102 10.752 4.985 -2.984 1.00 0.00 C ATOM 1556 O VAL A 102 11.383 3.938 -3.144 1.00 0.00 O ATOM 1557 CB VAL A 102 11.755 6.868 -1.670 1.00 0.00 C ATOM 1558 CG1 VAL A 102 12.706 5.930 -0.941 1.00 0.00 C ATOM 1559 CG2 VAL A 102 12.328 8.279 -1.723 1.00 0.00 C ATOM 0 H VAL A 102 10.351 8.111 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 102 12.394 6.226 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 102 10.817 6.905 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.907 6.319 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.253 4.942 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.641 5.856 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.533 8.627 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.253 8.275 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.608 8.946 -2.197 1.00 0.00 H new ATOM 1569 N LEU A 103 9.444 5.015 -2.722 1.00 0.00 N ATOM 1570 CA LEU A 103 8.652 3.791 -2.604 1.00 0.00 C ATOM 1571 C LEU A 103 8.727 2.967 -3.890 1.00 0.00 C ATOM 1572 O LEU A 103 8.828 1.742 -3.846 1.00 0.00 O ATOM 1573 CB LEU A 103 7.193 4.128 -2.286 1.00 0.00 C ATOM 1574 CG LEU A 103 6.564 3.308 -1.155 1.00 0.00 C ATOM 1575 CD1 LEU A 103 5.484 4.116 -0.450 1.00 0.00 C ATOM 1576 CD2 LEU A 103 5.995 2.002 -1.694 1.00 0.00 C ATOM 0 H LEU A 103 8.911 5.874 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 103 9.066 3.199 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.130 5.184 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.599 3.986 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 103 7.341 3.067 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.047 3.519 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.923 5.021 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.707 4.387 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.552 1.433 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.231 2.219 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.794 1.418 -2.151 1.00 0.00 H new ATOM 1588 N GLN A 104 8.679 3.651 -5.035 1.00 0.00 N ATOM 1589 CA GLN A 104 8.749 2.979 -6.329 1.00 0.00 C ATOM 1590 C GLN A 104 10.093 2.279 -6.509 1.00 0.00 C ATOM 1591 O GLN A 104 10.151 1.160 -7.018 1.00 0.00 O ATOM 1592 CB GLN A 104 8.534 3.980 -7.466 1.00 0.00 C ATOM 1593 CG GLN A 104 7.696 3.431 -8.609 1.00 0.00 C ATOM 1594 CD GLN A 104 6.621 4.399 -9.059 1.00 0.00 C ATOM 1595 OE1 GLN A 104 6.914 5.439 -9.647 1.00 0.00 O ATOM 1596 NE2 GLN A 104 5.365 4.063 -8.783 1.00 0.00 N ATOM 0 H GLN A 104 8.592 4.666 -5.090 1.00 0.00 H new ATOM 0 HA GLN A 104 7.958 2.230 -6.358 1.00 0.00 H new ATOM 0 HB2 GLN A 104 8.050 4.872 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 104 9.504 4.290 -7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 104 8.346 3.198 -9.452 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.231 2.496 -8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.166 3.191 -8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.600 4.678 -9.061 1.00 0.00 H new ATOM 1605 N SER A 105 11.172 2.947 -6.091 1.00 0.00 N ATOM 1606 CA SER A 105 12.519 2.390 -6.207 1.00 0.00 C ATOM 1607 C SER A 105 12.645 1.080 -5.427 1.00 0.00 C ATOM 1608 O SER A 105 13.143 0.084 -5.956 1.00 0.00 O ATOM 1609 CB SER A 105 13.563 3.400 -5.717 1.00 0.00 C ATOM 1610 OG SER A 105 14.019 4.218 -6.781 1.00 0.00 O ATOM 0 H SER A 105 11.137 3.875 -5.669 1.00 0.00 H new ATOM 0 HA SER A 105 12.702 2.177 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.131 4.023 -4.934 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.406 2.870 -5.274 1.00 0.00 H new ATOM 0 HG SER A 105 14.683 4.855 -6.443 1.00 0.00 H new ATOM 1616 N VAL A 106 12.188 1.081 -4.174 1.00 0.00 N ATOM 1617 CA VAL A 106 12.254 -0.119 -3.341 1.00 0.00 C ATOM 1618 C VAL A 106 11.309 -1.207 -3.861 1.00 0.00 C ATOM 1619 O VAL A 106 11.662 -2.390 -3.873 1.00 0.00 O ATOM 1620 CB VAL A 106 11.939 0.178 -1.853 1.00 0.00 C ATOM 1621 CG1 VAL A 106 10.543 0.762 -1.675 1.00 0.00 C ATOM 1622 CG2 VAL A 106 12.101 -1.083 -1.021 1.00 0.00 C ATOM 0 H VAL A 106 11.772 1.892 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 106 13.281 -0.478 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 106 12.651 0.927 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.362 0.956 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.465 1.695 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.802 0.054 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.877 -0.862 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.416 -1.849 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 106 13.126 -1.444 -1.103 1.00 0.00 H new ATOM 1632 N PHE A 107 10.114 -0.804 -4.296 1.00 0.00 N ATOM 1633 CA PHE A 107 9.126 -1.747 -4.819 1.00 0.00 C ATOM 1634 C PHE A 107 9.609 -2.395 -6.120 1.00 0.00 C ATOM 1635 O PHE A 107 9.404 -3.592 -6.332 1.00 0.00 O ATOM 1636 CB PHE A 107 7.784 -1.042 -5.051 1.00 0.00 C ATOM 1637 CG PHE A 107 6.618 -1.985 -5.208 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.318 -2.913 -4.223 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.823 -1.939 -6.343 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.249 -3.777 -4.366 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.752 -2.802 -6.491 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.466 -3.722 -5.502 1.00 0.00 C ATOM 0 H PHE A 107 9.808 0.169 -4.296 1.00 0.00 H new ATOM 0 HA PHE A 107 8.992 -2.534 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 107 7.587 -0.372 -4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.860 -0.422 -5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 107 6.927 -2.961 -3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 107 6.042 -1.222 -7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.026 -4.494 -3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.140 -2.756 -7.380 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.631 -4.398 -5.617 1.00 0.00 H new ATOM 1652 N THR A 108 10.245 -1.604 -6.987 1.00 0.00 N ATOM 1653 CA THR A 108 10.748 -2.117 -8.264 1.00 0.00 C ATOM 1654 C THR A 108 11.844 -3.158 -8.047 1.00 0.00 C ATOM 1655 O THR A 108 11.899 -4.159 -8.759 1.00 0.00 O ATOM 1656 CB THR A 108 11.277 -0.979 -9.146 1.00 0.00 C ATOM 1657 OG1 THR A 108 12.068 -0.076 -8.394 1.00 0.00 O ATOM 1658 CG2 THR A 108 10.177 -0.181 -9.818 1.00 0.00 C ATOM 0 H THR A 108 10.423 -0.612 -6.830 1.00 0.00 H new ATOM 0 HA THR A 108 9.911 -2.594 -8.774 1.00 0.00 H new ATOM 0 HB THR A 108 11.872 -1.469 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.486 0.572 -7.944 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.619 0.608 -10.426 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.585 -0.840 -10.453 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.534 0.264 -9.058 1.00 0.00 H new ATOM 1666 N SER A 109 12.709 -2.923 -7.061 1.00 0.00 N ATOM 1667 CA SER A 109 13.793 -3.856 -6.760 1.00 0.00 C ATOM 1668 C SER A 109 13.235 -5.221 -6.364 1.00 0.00 C ATOM 1669 O SER A 109 13.724 -6.256 -6.820 1.00 0.00 O ATOM 1670 CB SER A 109 14.685 -3.307 -5.642 1.00 0.00 C ATOM 1671 OG SER A 109 15.740 -2.522 -6.172 1.00 0.00 O ATOM 0 H SER A 109 12.681 -2.099 -6.460 1.00 0.00 H new ATOM 0 HA SER A 109 14.396 -3.974 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.087 -2.705 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.097 -4.133 -5.062 1.00 0.00 H new ATOM 0 HG SER A 109 16.294 -2.181 -5.439 1.00 0.00 H new ATOM 1677 N VAL A 110 12.201 -5.217 -5.522 1.00 0.00 N ATOM 1678 CA VAL A 110 11.570 -6.457 -5.078 1.00 0.00 C ATOM 1679 C VAL A 110 10.837 -7.140 -6.234 1.00 0.00 C ATOM 1680 O VAL A 110 10.969 -8.347 -6.431 1.00 0.00 O ATOM 1681 CB VAL A 110 10.572 -6.211 -3.926 1.00 0.00 C ATOM 1682 CG1 VAL A 110 10.065 -7.533 -3.363 1.00 0.00 C ATOM 1683 CG2 VAL A 110 11.209 -5.364 -2.830 1.00 0.00 C ATOM 0 H VAL A 110 11.784 -4.370 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 110 12.369 -7.104 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 110 9.719 -5.662 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.363 -7.338 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.563 -8.095 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 110 10.906 -8.113 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 110 10.488 -5.203 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.083 -5.880 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.512 -4.402 -3.243 1.00 0.00 H new ATOM 1693 N ARG A 111 10.069 -6.356 -6.993 1.00 0.00 N ATOM 1694 CA ARG A 111 9.314 -6.882 -8.131 1.00 0.00 C ATOM 1695 C ARG A 111 10.243 -7.445 -9.209 1.00 0.00 C ATOM 1696 O ARG A 111 9.964 -8.495 -9.787 1.00 0.00 O ATOM 1697 CB ARG A 111 8.420 -5.792 -8.735 1.00 0.00 C ATOM 1698 CG ARG A 111 7.229 -5.415 -7.867 1.00 0.00 C ATOM 1699 CD ARG A 111 6.377 -6.628 -7.519 1.00 0.00 C ATOM 1700 NE ARG A 111 6.476 -6.982 -6.102 1.00 0.00 N ATOM 1701 CZ ARG A 111 6.213 -8.197 -5.611 1.00 0.00 C ATOM 1702 NH1 ARG A 111 5.833 -9.185 -6.417 1.00 0.00 N ATOM 1703 NH2 ARG A 111 6.330 -8.424 -4.308 1.00 0.00 N ATOM 0 H ARG A 111 9.954 -5.354 -6.840 1.00 0.00 H new ATOM 0 HA ARG A 111 8.689 -7.694 -7.760 1.00 0.00 H new ATOM 0 HB2 ARG A 111 9.022 -4.901 -8.914 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.056 -6.131 -9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.582 -4.944 -6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.617 -4.679 -8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.336 -6.423 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.690 -7.477 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 111 6.764 -6.255 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.740 -9.019 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.635 -10.109 -6.033 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.620 -7.672 -3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.130 -9.351 -3.932 1.00 0.00 H new ATOM 1717 N GLN A 112 11.347 -6.746 -9.478 1.00 0.00 N ATOM 1718 CA GLN A 112 12.304 -7.189 -10.493 1.00 0.00 C ATOM 1719 C GLN A 112 12.965 -8.508 -10.091 1.00 0.00 C ATOM 1720 O GLN A 112 13.030 -9.444 -10.887 1.00 0.00 O ATOM 1721 CB GLN A 112 13.377 -6.122 -10.738 1.00 0.00 C ATOM 1722 CG GLN A 112 13.408 -5.608 -12.169 1.00 0.00 C ATOM 1723 CD GLN A 112 12.728 -4.260 -12.325 1.00 0.00 C ATOM 1724 OE1 GLN A 112 11.530 -4.125 -12.083 1.00 0.00 O ATOM 1725 NE2 GLN A 112 13.493 -3.251 -12.732 1.00 0.00 N ATOM 0 H GLN A 112 11.600 -5.876 -9.010 1.00 0.00 H new ATOM 0 HA GLN A 112 11.749 -7.347 -11.418 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.205 -5.284 -10.063 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.354 -6.537 -10.488 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.444 -5.528 -12.499 1.00 0.00 H new ATOM 0 HG3 GLN A 112 12.921 -6.333 -12.821 1.00 0.00 H new ATOM 0 HE21 GLN A 112 14.483 -3.406 -12.922 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.090 -2.322 -12.854 1.00 0.00 H new ATOM 1734 N LYS A 113 13.457 -8.572 -8.854 1.00 0.00 N ATOM 1735 CA LYS A 113 14.120 -9.773 -8.348 1.00 0.00 C ATOM 1736 C LYS A 113 13.138 -10.937 -8.202 1.00 0.00 C ATOM 1737 O LYS A 113 13.429 -12.056 -8.627 1.00 0.00 O ATOM 1738 CB LYS A 113 14.793 -9.483 -7.001 1.00 0.00 C ATOM 1739 CG LYS A 113 15.651 -10.630 -6.484 1.00 0.00 C ATOM 1740 CD LYS A 113 16.421 -10.232 -5.233 1.00 0.00 C ATOM 1741 CE LYS A 113 16.819 -11.449 -4.412 1.00 0.00 C ATOM 1742 NZ LYS A 113 17.701 -11.085 -3.268 1.00 0.00 N ATOM 0 H LYS A 113 13.409 -7.805 -8.183 1.00 0.00 H new ATOM 0 HA LYS A 113 14.880 -10.062 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.414 -8.593 -7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.024 -9.255 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 113 15.017 -11.489 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 113 16.351 -10.940 -7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 113 17.314 -9.675 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 113 15.809 -9.566 -4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 113 15.922 -11.942 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 113 17.333 -12.166 -5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 17.949 -11.942 -2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 18.568 -10.638 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 17.202 -10.420 -2.643 1.00 0.00 H new ATOM 1756 N ILE A 114 11.979 -10.672 -7.595 1.00 0.00 N ATOM 1757 CA ILE A 114 10.969 -11.706 -7.392 1.00 0.00 C ATOM 1758 C ILE A 114 10.494 -12.300 -8.722 1.00 0.00 C ATOM 1759 O ILE A 114 10.342 -13.516 -8.842 1.00 0.00 O ATOM 1760 CB ILE A 114 9.760 -11.170 -6.584 1.00 0.00 C ATOM 1761 CG1 ILE A 114 8.935 -12.331 -6.025 1.00 0.00 C ATOM 1762 CG2 ILE A 114 8.888 -10.251 -7.430 1.00 0.00 C ATOM 1763 CD1 ILE A 114 9.031 -12.470 -4.520 1.00 0.00 C ATOM 0 H ILE A 114 11.720 -9.753 -7.238 1.00 0.00 H new ATOM 0 HA ILE A 114 11.443 -12.499 -6.814 1.00 0.00 H new ATOM 0 HB ILE A 114 10.148 -10.583 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.890 -12.191 -6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.267 -13.259 -6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.050 -9.893 -6.832 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.479 -9.401 -7.771 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.510 -10.800 -8.293 1.00 0.00 H new ATOM 0 HD11 ILE A 114 8.422 -13.312 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 114 10.069 -12.641 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.671 -11.557 -4.047 1.00 0.00 H new ATOM 1775 N GLU A 115 10.274 -11.441 -9.719 1.00 0.00 N ATOM 1776 CA GLU A 115 9.832 -11.896 -11.037 1.00 0.00 C ATOM 1777 C GLU A 115 10.945 -12.658 -11.758 1.00 0.00 C ATOM 1778 O GLU A 115 10.675 -13.586 -12.523 1.00 0.00 O ATOM 1779 CB GLU A 115 9.363 -10.711 -11.890 1.00 0.00 C ATOM 1780 CG GLU A 115 7.912 -10.321 -11.640 1.00 0.00 C ATOM 1781 CD GLU A 115 7.591 -8.914 -12.108 1.00 0.00 C ATOM 1782 OE1 GLU A 115 7.569 -8.687 -13.338 1.00 0.00 O ATOM 1783 OE2 GLU A 115 7.356 -8.041 -11.246 1.00 0.00 O ATOM 0 H GLU A 115 10.394 -10.431 -9.639 1.00 0.00 H new ATOM 0 HA GLU A 115 8.992 -12.575 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.002 -9.852 -11.687 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.488 -10.960 -12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.258 -11.027 -12.152 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.697 -10.402 -10.574 1.00 0.00 H new TER 1790 GLU A 115