USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 980 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 78 LYS NZ :NH3+ -151:sc= 0.0167 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.467 K(o=0.48,f=-2.4!) USER MOD Set 2.1: A 56 THR OG1 : rot -65:sc= 0.734 USER MOD Set 2.2: A 57 ASN : amide:sc= -1.65 K(o=-0.91,f=-4.9!) USER MOD Set 3.1: A 49 GLN : amide:sc=-0.00409 X(o=-4.5,f=-4.6) USER MOD Set 3.2: A 64 ASN : amide:sc= -4.45! C(o=-4.5!,f=-9.1!) USER MOD Set 4.1: A 18 LYS NZ :NH3+ -120:sc= -0.0814 (180deg=-0.0604) USER MOD Set 4.2: A 107 LYS NZ :NH3+ 156:sc= -0.0393 (180deg=-1.23) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -15:sc= -0.897 USER MOD Single : A 17 SER OG : rot 40:sc= 0.846 USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.329) USER MOD Single : A 20 CYS SG : rot 180:sc= -0.0628 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= -0.0598 (180deg=-0.481) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.647 F(o=-1.5,f=-0.65) USER MOD Single : A 41 LYS NZ :NH3+ -151:sc= -2.51! (180deg=-4.52!) USER MOD Single : A 43 THR OG1 : rot 130:sc= -0.56 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.1!) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= -0.0898 (180deg=-0.17) USER MOD Single : A 48 THR OG1 : rot -109:sc= -4.6! USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.94! C(o=-1.9!,f=-3.7!) USER MOD Single : A 71 MET CE :methyl 163:sc= -0.0763 (180deg=-0.854) USER MOD Single : A 73 CYS SG : rot 30:sc= 0.0465 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.787 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0916 USER MOD Single : A 80 ASN : amide:sc= -0.0688 K(o=-0.069,f=-3.4!) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.578 F(o=-1.4,f=-0.58) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -138:sc= 0 (180deg=-0.225) USER MOD Single : A 108 THR OG1 : rot 160:sc= -0.922 USER MOD Single : A 109 SER OG : rot 50:sc= 0.193 USER MOD Single : A 116 HIS :FLIP no HD1:sc= -3.35 F(o=-5.5,f=-3.3) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 12.671 13.162 -12.141 1.00 0.00 N ATOM 2 CA GLU A 8 12.969 12.328 -13.300 1.00 0.00 C ATOM 3 C GLU A 8 11.878 11.282 -13.513 1.00 0.00 C ATOM 4 O GLU A 8 12.082 10.290 -14.212 1.00 0.00 O ATOM 5 CB GLU A 8 14.324 11.640 -13.126 1.00 0.00 C ATOM 6 CG GLU A 8 14.697 11.389 -11.675 1.00 0.00 C ATOM 7 CD GLU A 8 16.000 10.626 -11.531 1.00 0.00 C ATOM 8 OE1 GLU A 8 17.060 11.197 -11.865 1.00 0.00 O ATOM 9 OE2 GLU A 8 15.961 9.461 -11.085 1.00 0.00 O ATOM 0 HA GLU A 8 13.007 12.972 -14.179 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.310 10.689 -13.659 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.096 12.254 -13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.780 12.343 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.897 10.830 -11.190 1.00 0.00 H new ATOM 16 N VAL A 9 10.719 11.512 -12.904 1.00 0.00 N ATOM 17 CA VAL A 9 9.595 10.591 -13.026 1.00 0.00 C ATOM 18 C VAL A 9 8.948 10.694 -14.403 1.00 0.00 C ATOM 19 O VAL A 9 9.124 11.685 -15.112 1.00 0.00 O ATOM 20 CB VAL A 9 8.529 10.861 -11.948 1.00 0.00 C ATOM 21 CG1 VAL A 9 9.113 10.664 -10.558 1.00 0.00 C ATOM 22 CG2 VAL A 9 7.958 12.262 -12.102 1.00 0.00 C ATOM 0 H VAL A 9 10.534 12.328 -12.321 1.00 0.00 H new ATOM 0 HA VAL A 9 9.993 9.585 -12.889 1.00 0.00 H new ATOM 0 HB VAL A 9 7.716 10.146 -12.079 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.345 10.859 -9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.468 9.639 -10.455 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.945 11.353 -10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.206 12.435 -11.332 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.759 12.995 -11.999 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.499 12.362 -13.086 1.00 0.00 H new ATOM 32 N LYS A 10 8.197 9.663 -14.776 1.00 0.00 N ATOM 33 CA LYS A 10 7.520 9.636 -16.067 1.00 0.00 C ATOM 34 C LYS A 10 6.011 9.765 -15.893 1.00 0.00 C ATOM 35 O LYS A 10 5.496 9.679 -14.779 1.00 0.00 O ATOM 36 CB LYS A 10 7.850 8.341 -16.812 1.00 0.00 C ATOM 37 CG LYS A 10 7.269 7.099 -16.159 1.00 0.00 C ATOM 38 CD LYS A 10 7.790 5.830 -16.811 1.00 0.00 C ATOM 39 CE LYS A 10 6.929 5.418 -17.996 1.00 0.00 C ATOM 40 NZ LYS A 10 7.432 4.173 -18.641 1.00 0.00 N ATOM 0 H LYS A 10 8.042 8.834 -14.202 1.00 0.00 H new ATOM 0 HA LYS A 10 7.874 10.485 -16.652 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.475 8.414 -17.833 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.933 8.235 -16.877 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.520 7.093 -15.098 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.182 7.125 -16.229 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.817 5.985 -17.142 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.810 5.024 -16.077 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.902 5.265 -17.663 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.910 6.225 -18.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.819 3.926 -19.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.403 4.326 -18.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.426 3.397 -17.949 1.00 0.00 H new ATOM 54 N GLU A 11 5.307 9.970 -17.002 1.00 0.00 N ATOM 55 CA GLU A 11 3.856 10.109 -16.970 1.00 0.00 C ATOM 56 C GLU A 11 3.183 8.754 -16.776 1.00 0.00 C ATOM 57 O GLU A 11 3.150 7.930 -17.690 1.00 0.00 O ATOM 58 CB GLU A 11 3.355 10.759 -18.262 1.00 0.00 C ATOM 59 CG GLU A 11 1.845 10.921 -18.317 1.00 0.00 C ATOM 60 CD GLU A 11 1.390 11.758 -19.496 1.00 0.00 C ATOM 61 OE1 GLU A 11 1.740 12.956 -19.543 1.00 0.00 O ATOM 62 OE2 GLU A 11 0.685 11.215 -20.373 1.00 0.00 O ATOM 0 H GLU A 11 5.718 10.043 -17.933 1.00 0.00 H new ATOM 0 HA GLU A 11 3.597 10.748 -16.126 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.821 11.738 -18.370 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.678 10.156 -19.111 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.380 9.937 -18.374 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.499 11.384 -17.393 1.00 0.00 H new ATOM 69 N GLU A 12 2.648 8.530 -15.580 1.00 0.00 N ATOM 70 CA GLU A 12 1.978 7.274 -15.266 1.00 0.00 C ATOM 71 C GLU A 12 0.670 7.527 -14.521 1.00 0.00 C ATOM 72 O GLU A 12 0.399 8.645 -14.083 1.00 0.00 O ATOM 73 CB GLU A 12 2.891 6.379 -14.425 1.00 0.00 C ATOM 74 CG GLU A 12 3.781 5.468 -15.254 1.00 0.00 C ATOM 75 CD GLU A 12 2.996 4.409 -16.003 1.00 0.00 C ATOM 76 OE1 GLU A 12 2.491 3.473 -15.348 1.00 0.00 O ATOM 77 OE2 GLU A 12 2.886 4.516 -17.242 1.00 0.00 O ATOM 0 H GLU A 12 2.666 9.202 -14.813 1.00 0.00 H new ATOM 0 HA GLU A 12 1.750 6.769 -16.205 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.518 7.007 -13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.277 5.769 -13.762 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.345 6.069 -15.967 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.507 4.983 -14.601 1.00 0.00 H new ATOM 84 N ASP A 13 -0.137 6.480 -14.382 1.00 0.00 N ATOM 85 CA ASP A 13 -1.416 6.587 -13.691 1.00 0.00 C ATOM 86 C ASP A 13 -1.229 7.151 -12.286 1.00 0.00 C ATOM 87 O ASP A 13 -1.968 8.037 -11.858 1.00 0.00 O ATOM 88 CB ASP A 13 -2.097 5.220 -13.618 1.00 0.00 C ATOM 89 CG ASP A 13 -2.603 4.753 -14.969 1.00 0.00 C ATOM 90 OD1 ASP A 13 -1.840 4.847 -15.953 1.00 0.00 O ATOM 91 OD2 ASP A 13 -3.763 4.295 -15.042 1.00 0.00 O ATOM 0 H ASP A 13 0.073 5.548 -14.739 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.050 7.270 -14.256 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.393 4.487 -13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.931 5.270 -12.918 1.00 0.00 H new ATOM 96 N ALA A 14 -0.235 6.631 -11.572 1.00 0.00 N ATOM 97 CA ALA A 14 0.050 7.083 -10.216 1.00 0.00 C ATOM 98 C ALA A 14 0.973 8.296 -10.225 1.00 0.00 C ATOM 99 O ALA A 14 2.028 8.282 -10.860 1.00 0.00 O ATOM 100 CB ALA A 14 0.665 5.954 -9.402 1.00 0.00 C ATOM 0 H ALA A 14 0.386 5.896 -11.911 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.891 7.379 -9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.873 6.305 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.031 5.116 -9.359 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.594 5.631 -9.872 1.00 0.00 H new ATOM 106 N PHE A 15 0.570 9.346 -9.516 1.00 0.00 N ATOM 107 CA PHE A 15 1.361 10.569 -9.444 1.00 0.00 C ATOM 108 C PHE A 15 2.566 10.384 -8.526 1.00 0.00 C ATOM 109 O PHE A 15 3.694 10.715 -8.891 1.00 0.00 O ATOM 110 CB PHE A 15 0.499 11.730 -8.944 1.00 0.00 C ATOM 111 CG PHE A 15 -0.188 11.448 -7.638 1.00 0.00 C ATOM 112 CD1 PHE A 15 0.472 11.643 -6.436 1.00 0.00 C ATOM 113 CD2 PHE A 15 -1.495 10.986 -7.613 1.00 0.00 C ATOM 114 CE1 PHE A 15 -0.157 11.385 -5.233 1.00 0.00 C ATOM 115 CE2 PHE A 15 -2.129 10.727 -6.413 1.00 0.00 C ATOM 116 CZ PHE A 15 -1.459 10.925 -5.222 1.00 0.00 C ATOM 0 H PHE A 15 -0.299 9.374 -8.983 1.00 0.00 H new ATOM 0 HA PHE A 15 1.722 10.798 -10.447 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.125 12.615 -8.832 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.253 11.965 -9.698 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.491 12.001 -6.439 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.023 10.827 -8.541 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.369 11.543 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.148 10.370 -6.407 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.952 10.720 -4.283 1.00 0.00 H new ATOM 126 N TYR A 16 2.318 9.853 -7.334 1.00 0.00 N ATOM 127 CA TYR A 16 3.381 9.626 -6.362 1.00 0.00 C ATOM 128 C TYR A 16 4.090 8.302 -6.629 1.00 0.00 C ATOM 129 O TYR A 16 3.530 7.229 -6.405 1.00 0.00 O ATOM 130 CB TYR A 16 2.813 9.637 -4.942 1.00 0.00 C ATOM 131 CG TYR A 16 3.871 9.747 -3.868 1.00 0.00 C ATOM 132 CD1 TYR A 16 4.347 10.986 -3.457 1.00 0.00 C ATOM 133 CD2 TYR A 16 4.395 8.611 -3.262 1.00 0.00 C ATOM 134 CE1 TYR A 16 5.314 11.091 -2.477 1.00 0.00 C ATOM 135 CE2 TYR A 16 5.361 8.706 -2.279 1.00 0.00 C ATOM 136 CZ TYR A 16 5.818 9.949 -1.891 1.00 0.00 C ATOM 137 OH TYR A 16 6.781 10.049 -0.912 1.00 0.00 O ATOM 0 H TYR A 16 1.390 9.572 -7.017 1.00 0.00 H new ATOM 0 HA TYR A 16 4.108 10.432 -6.461 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.119 10.472 -4.844 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.239 8.725 -4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.954 11.883 -3.912 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.041 7.637 -3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.674 12.062 -2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.756 7.813 -1.817 1.00 0.00 H new ATOM 0 HH TYR A 16 7.163 10.951 -0.920 1.00 0.00 H new ATOM 147 N SER A 17 5.326 8.386 -7.110 1.00 0.00 N ATOM 148 CA SER A 17 6.112 7.196 -7.411 1.00 0.00 C ATOM 149 C SER A 17 7.466 7.246 -6.709 1.00 0.00 C ATOM 150 O SER A 17 8.344 8.024 -7.083 1.00 0.00 O ATOM 151 CB SER A 17 6.313 7.060 -8.922 1.00 0.00 C ATOM 152 OG SER A 17 7.024 8.170 -9.443 1.00 0.00 O ATOM 0 H SER A 17 5.805 9.266 -7.300 1.00 0.00 H new ATOM 0 HA SER A 17 5.564 6.328 -7.045 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.858 6.141 -9.138 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.344 6.980 -9.415 1.00 0.00 H new ATOM 0 HG SER A 17 7.737 8.423 -8.820 1.00 0.00 H new ATOM 158 N LYS A 18 7.627 6.411 -5.688 1.00 0.00 N ATOM 159 CA LYS A 18 8.873 6.357 -4.933 1.00 0.00 C ATOM 160 C LYS A 18 9.150 4.940 -4.440 1.00 0.00 C ATOM 161 O LYS A 18 8.253 4.257 -3.946 1.00 0.00 O ATOM 162 CB LYS A 18 8.814 7.319 -3.744 1.00 0.00 C ATOM 163 CG LYS A 18 10.182 7.721 -3.219 1.00 0.00 C ATOM 164 CD LYS A 18 10.869 8.707 -4.149 1.00 0.00 C ATOM 165 CE LYS A 18 12.380 8.542 -4.118 1.00 0.00 C ATOM 166 NZ LYS A 18 12.837 7.443 -5.014 1.00 0.00 N ATOM 0 H LYS A 18 6.910 5.762 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 18 9.684 6.657 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.269 8.216 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.247 6.853 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.077 8.166 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.804 6.833 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.507 8.562 -5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.607 9.725 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.854 9.476 -4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.702 8.336 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.335 6.722 -4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.014 7.011 -5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.482 7.827 -5.734 1.00 0.00 H new ATOM 180 N LYS A 19 10.398 4.505 -4.576 1.00 0.00 N ATOM 181 CA LYS A 19 10.795 3.171 -4.143 1.00 0.00 C ATOM 182 C LYS A 19 10.784 3.067 -2.621 1.00 0.00 C ATOM 183 O LYS A 19 11.182 4.000 -1.923 1.00 0.00 O ATOM 184 CB LYS A 19 12.188 2.832 -4.678 1.00 0.00 C ATOM 185 CG LYS A 19 13.291 3.697 -4.093 1.00 0.00 C ATOM 186 CD LYS A 19 14.650 3.029 -4.220 1.00 0.00 C ATOM 187 CE LYS A 19 15.249 3.243 -5.602 1.00 0.00 C ATOM 188 NZ LYS A 19 14.818 2.189 -6.562 1.00 0.00 N ATOM 0 H LYS A 19 11.152 5.058 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 19 10.075 2.457 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.406 1.786 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.188 2.942 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.309 4.660 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.079 3.897 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.325 3.429 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.551 1.961 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.952 4.221 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.337 3.246 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.655 1.764 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.286 1.453 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.211 2.612 -7.293 1.00 0.00 H new ATOM 202 N CYS A 20 10.327 1.928 -2.114 1.00 0.00 N ATOM 203 CA CYS A 20 10.265 1.702 -0.674 1.00 0.00 C ATOM 204 C CYS A 20 10.134 0.215 -0.362 1.00 0.00 C ATOM 205 O CYS A 20 9.720 -0.575 -1.210 1.00 0.00 O ATOM 206 CB CYS A 20 9.089 2.469 -0.067 1.00 0.00 C ATOM 207 SG CYS A 20 7.498 2.124 -0.854 1.00 0.00 S ATOM 0 H CYS A 20 9.994 1.146 -2.678 1.00 0.00 H new ATOM 0 HA CYS A 20 11.193 2.066 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.018 2.225 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.292 3.538 -0.135 1.00 0.00 H new ATOM 0 HG CYS A 20 6.566 2.817 -0.270 1.00 0.00 H new ATOM 213 N LYS A 21 10.492 -0.161 0.862 1.00 0.00 N ATOM 214 CA LYS A 21 10.415 -1.553 1.288 1.00 0.00 C ATOM 215 C LYS A 21 9.108 -1.826 2.024 1.00 0.00 C ATOM 216 O LYS A 21 8.380 -0.899 2.382 1.00 0.00 O ATOM 217 CB LYS A 21 11.603 -1.898 2.190 1.00 0.00 C ATOM 218 CG LYS A 21 12.803 -2.442 1.434 1.00 0.00 C ATOM 219 CD LYS A 21 13.763 -1.332 1.040 1.00 0.00 C ATOM 220 CE LYS A 21 13.439 -0.777 -0.338 1.00 0.00 C ATOM 221 NZ LYS A 21 13.786 0.666 -0.451 1.00 0.00 N ATOM 0 H LYS A 21 10.838 0.480 1.576 1.00 0.00 H new ATOM 0 HA LYS A 21 10.448 -2.181 0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.904 -1.005 2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.286 -2.634 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.324 -3.172 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.464 -2.966 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.715 -0.530 1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.784 -1.713 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.984 -1.342 -1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.377 -0.912 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.550 1.006 -1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.247 1.209 0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.804 0.793 -0.280 1.00 0.00 H new ATOM 235 N LEU A 22 8.816 -3.102 2.250 1.00 0.00 N ATOM 236 CA LEU A 22 7.596 -3.497 2.946 1.00 0.00 C ATOM 237 C LEU A 22 7.895 -4.539 4.019 1.00 0.00 C ATOM 238 O LEU A 22 8.632 -5.496 3.781 1.00 0.00 O ATOM 239 CB LEU A 22 6.574 -4.050 1.951 1.00 0.00 C ATOM 240 CG LEU A 22 5.612 -3.030 1.340 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.860 -3.641 0.169 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.639 -2.518 2.393 1.00 0.00 C ATOM 0 H LEU A 22 9.408 -3.881 1.961 1.00 0.00 H new ATOM 0 HA LEU A 22 7.180 -2.613 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.114 -4.541 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.986 -4.818 2.454 1.00 0.00 H new ATOM 0 HG LEU A 22 6.194 -2.186 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.180 -2.901 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.571 -3.958 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.289 -4.503 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.962 -1.793 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.063 -3.353 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.195 -2.041 3.200 1.00 0.00 H new ATOM 254 N PHE A 23 7.316 -4.348 5.199 1.00 0.00 N ATOM 255 CA PHE A 23 7.518 -5.273 6.309 1.00 0.00 C ATOM 256 C PHE A 23 6.223 -5.480 7.088 1.00 0.00 C ATOM 257 O PHE A 23 5.347 -4.614 7.099 1.00 0.00 O ATOM 258 CB PHE A 23 8.610 -4.749 7.244 1.00 0.00 C ATOM 259 CG PHE A 23 9.843 -4.281 6.523 1.00 0.00 C ATOM 260 CD1 PHE A 23 9.869 -3.044 5.900 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.975 -5.079 6.470 1.00 0.00 C ATOM 262 CE1 PHE A 23 11.002 -2.612 5.236 1.00 0.00 C ATOM 263 CE2 PHE A 23 12.110 -4.652 5.808 1.00 0.00 C ATOM 264 CZ PHE A 23 12.124 -3.416 5.191 1.00 0.00 C ATOM 0 H PHE A 23 6.703 -3.561 5.412 1.00 0.00 H new ATOM 0 HA PHE A 23 7.830 -6.233 5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.208 -3.924 7.833 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.886 -5.537 7.945 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.995 -2.410 5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.970 -6.046 6.952 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.010 -1.646 4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.985 -5.284 5.773 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.011 -3.079 4.674 1.00 0.00 H new ATOM 274 N TYR A 24 6.108 -6.633 7.737 1.00 0.00 N ATOM 275 CA TYR A 24 4.919 -6.956 8.516 1.00 0.00 C ATOM 276 C TYR A 24 5.299 -7.531 9.877 1.00 0.00 C ATOM 277 O TYR A 24 6.367 -8.121 10.039 1.00 0.00 O ATOM 278 CB TYR A 24 4.041 -7.953 7.756 1.00 0.00 C ATOM 279 CG TYR A 24 4.791 -9.173 7.271 1.00 0.00 C ATOM 280 CD1 TYR A 24 5.478 -9.155 6.064 1.00 0.00 C ATOM 281 CD2 TYR A 24 4.813 -10.343 8.020 1.00 0.00 C ATOM 282 CE1 TYR A 24 6.164 -10.268 5.616 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.497 -11.460 7.581 1.00 0.00 C ATOM 284 CZ TYR A 24 6.171 -11.417 6.378 1.00 0.00 C ATOM 285 OH TYR A 24 6.854 -12.527 5.936 1.00 0.00 O ATOM 0 H TYR A 24 6.824 -7.360 7.739 1.00 0.00 H new ATOM 0 HA TYR A 24 4.358 -6.035 8.675 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.224 -8.272 8.404 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.591 -7.449 6.900 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.476 -8.256 5.465 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.286 -10.380 8.962 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.692 -10.238 4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.504 -12.361 8.176 1.00 0.00 H new ATOM 0 HH TYR A 24 6.760 -13.251 6.590 1.00 0.00 H new ATOM 295 N LYS A 25 4.415 -7.354 10.854 1.00 0.00 N ATOM 296 CA LYS A 25 4.655 -7.856 12.202 1.00 0.00 C ATOM 297 C LYS A 25 4.128 -9.279 12.355 1.00 0.00 C ATOM 298 O LYS A 25 2.922 -9.516 12.290 1.00 0.00 O ATOM 299 CB LYS A 25 3.990 -6.941 13.234 1.00 0.00 C ATOM 300 CG LYS A 25 4.653 -6.981 14.599 1.00 0.00 C ATOM 301 CD LYS A 25 4.360 -5.723 15.399 1.00 0.00 C ATOM 302 CE LYS A 25 4.618 -5.933 16.883 1.00 0.00 C ATOM 303 NZ LYS A 25 4.782 -4.641 17.606 1.00 0.00 N ATOM 0 H LYS A 25 3.526 -6.867 10.737 1.00 0.00 H new ATOM 0 HA LYS A 25 5.731 -7.866 12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.005 -5.917 12.862 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.943 -7.227 13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.301 -7.853 15.150 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.730 -7.093 14.478 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.981 -4.905 15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.322 -5.428 15.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.790 -6.491 17.320 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.515 -6.539 17.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.956 -4.827 18.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.588 -4.119 17.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.917 -4.073 17.503 1.00 0.00 H new ATOM 317 N LYS A 26 5.040 -10.224 12.558 1.00 0.00 N ATOM 318 CA LYS A 26 4.669 -11.624 12.723 1.00 0.00 C ATOM 319 C LYS A 26 5.515 -12.288 13.804 1.00 0.00 C ATOM 320 O LYS A 26 6.745 -12.246 13.756 1.00 0.00 O ATOM 321 CB LYS A 26 4.831 -12.375 11.400 1.00 0.00 C ATOM 322 CG LYS A 26 3.578 -12.374 10.542 1.00 0.00 C ATOM 323 CD LYS A 26 2.731 -13.611 10.790 1.00 0.00 C ATOM 324 CE LYS A 26 1.707 -13.373 11.890 1.00 0.00 C ATOM 325 NZ LYS A 26 0.695 -12.354 11.495 1.00 0.00 N ATOM 0 H LYS A 26 6.043 -10.045 12.612 1.00 0.00 H new ATOM 0 HA LYS A 26 3.624 -11.663 13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.648 -11.926 10.835 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.117 -13.406 11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.991 -11.481 10.755 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.857 -12.328 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.219 -13.894 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.376 -14.446 11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.205 -14.311 12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.217 -13.046 12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.193 -12.530 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.048 -11.405 11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.523 -12.415 10.471 1.00 0.00 H new ATOM 339 N ASP A 27 4.850 -12.901 14.777 1.00 0.00 N ATOM 340 CA ASP A 27 5.542 -13.577 15.869 1.00 0.00 C ATOM 341 C ASP A 27 6.426 -12.600 16.638 1.00 0.00 C ATOM 342 O ASP A 27 7.534 -12.943 17.050 1.00 0.00 O ATOM 343 CB ASP A 27 6.386 -14.732 15.328 1.00 0.00 C ATOM 344 CG ASP A 27 7.092 -15.498 16.430 1.00 0.00 C ATOM 345 OD1 ASP A 27 6.528 -15.595 17.540 1.00 0.00 O ATOM 346 OD2 ASP A 27 8.207 -16.001 16.182 1.00 0.00 O ATOM 0 H ASP A 27 3.832 -12.944 14.832 1.00 0.00 H new ATOM 0 HA ASP A 27 4.792 -13.975 16.552 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.747 -15.414 14.767 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.126 -14.342 14.629 1.00 0.00 H new ATOM 351 N ASN A 28 5.930 -11.382 16.826 1.00 0.00 N ATOM 352 CA ASN A 28 6.676 -10.355 17.545 1.00 0.00 C ATOM 353 C ASN A 28 7.984 -10.032 16.829 1.00 0.00 C ATOM 354 O ASN A 28 9.026 -9.869 17.464 1.00 0.00 O ATOM 355 CB ASN A 28 6.964 -10.812 18.976 1.00 0.00 C ATOM 356 CG ASN A 28 7.072 -9.649 19.943 1.00 0.00 C ATOM 357 OD1 ASN A 28 8.170 -9.257 20.339 1.00 0.00 O ATOM 358 ND2 ASN A 28 5.930 -9.092 20.329 1.00 0.00 N ATOM 0 H ASN A 28 5.015 -11.081 16.491 1.00 0.00 H new ATOM 0 HA ASN A 28 6.066 -9.452 17.575 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.172 -11.484 19.307 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.893 -11.382 18.993 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.940 -8.306 20.979 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.043 -9.450 19.975 1.00 0.00 H new ATOM 365 N GLU A 29 7.921 -9.942 15.504 1.00 0.00 N ATOM 366 CA GLU A 29 9.101 -9.639 14.703 1.00 0.00 C ATOM 367 C GLU A 29 8.705 -9.025 13.363 1.00 0.00 C ATOM 368 O GLU A 29 7.563 -9.152 12.922 1.00 0.00 O ATOM 369 CB GLU A 29 9.927 -10.905 14.472 1.00 0.00 C ATOM 370 CG GLU A 29 10.921 -11.195 15.584 1.00 0.00 C ATOM 371 CD GLU A 29 11.748 -12.438 15.319 1.00 0.00 C ATOM 372 OE1 GLU A 29 12.458 -12.470 14.293 1.00 0.00 O ATOM 373 OE2 GLU A 29 11.684 -13.379 16.137 1.00 0.00 O ATOM 0 H GLU A 29 7.066 -10.074 14.963 1.00 0.00 H new ATOM 0 HA GLU A 29 9.705 -8.916 15.251 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.252 -11.755 14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.467 -10.810 13.530 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.586 -10.340 15.704 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.383 -11.315 16.525 1.00 0.00 H new ATOM 380 N PHE A 30 9.659 -8.359 12.719 1.00 0.00 N ATOM 381 CA PHE A 30 9.410 -7.723 11.431 1.00 0.00 C ATOM 382 C PHE A 30 10.099 -8.490 10.305 1.00 0.00 C ATOM 383 O PHE A 30 11.326 -8.587 10.264 1.00 0.00 O ATOM 384 CB PHE A 30 9.900 -6.274 11.450 1.00 0.00 C ATOM 385 CG PHE A 30 8.857 -5.295 11.906 1.00 0.00 C ATOM 386 CD1 PHE A 30 7.969 -4.736 11.002 1.00 0.00 C ATOM 387 CD2 PHE A 30 8.765 -4.933 13.241 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.008 -3.835 11.419 1.00 0.00 C ATOM 389 CE2 PHE A 30 7.805 -4.033 13.664 1.00 0.00 C ATOM 390 CZ PHE A 30 6.926 -3.482 12.752 1.00 0.00 C ATOM 0 H PHE A 30 10.611 -8.246 13.068 1.00 0.00 H new ATOM 0 HA PHE A 30 8.335 -7.733 11.250 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.767 -6.201 12.106 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.233 -5.998 10.449 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.028 -5.008 9.958 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.451 -5.359 13.958 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.322 -3.407 10.703 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.742 -3.761 14.707 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.177 -2.777 13.080 1.00 0.00 H new ATOM 400 N LYS A 31 9.300 -9.034 9.393 1.00 0.00 N ATOM 401 CA LYS A 31 9.830 -9.792 8.266 1.00 0.00 C ATOM 402 C LYS A 31 9.709 -8.997 6.970 1.00 0.00 C ATOM 403 O LYS A 31 8.838 -8.137 6.839 1.00 0.00 O ATOM 404 CB LYS A 31 9.092 -11.126 8.129 1.00 0.00 C ATOM 405 CG LYS A 31 9.448 -12.132 9.210 1.00 0.00 C ATOM 406 CD LYS A 31 10.792 -12.788 8.939 1.00 0.00 C ATOM 407 CE LYS A 31 10.638 -14.045 8.095 1.00 0.00 C ATOM 408 NZ LYS A 31 11.957 -14.626 7.722 1.00 0.00 N ATOM 0 H LYS A 31 8.283 -8.964 9.413 1.00 0.00 H new ATOM 0 HA LYS A 31 10.886 -9.986 8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.018 -10.942 8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.318 -11.558 7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.474 -11.633 10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.673 -12.897 9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.446 -12.082 8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.273 -13.040 9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.058 -14.785 8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.076 -13.809 7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.810 -15.481 7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.501 -13.929 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.483 -14.875 8.584 1.00 0.00 H new ATOM 422 N GLU A 32 10.586 -9.291 6.016 1.00 0.00 N ATOM 423 CA GLU A 32 10.575 -8.602 4.730 1.00 0.00 C ATOM 424 C GLU A 32 9.591 -9.261 3.769 1.00 0.00 C ATOM 425 O GLU A 32 9.758 -10.421 3.389 1.00 0.00 O ATOM 426 CB GLU A 32 11.978 -8.596 4.118 1.00 0.00 C ATOM 427 CG GLU A 32 12.139 -7.607 2.976 1.00 0.00 C ATOM 428 CD GLU A 32 13.581 -7.461 2.530 1.00 0.00 C ATOM 429 OE1 GLU A 32 14.342 -8.444 2.650 1.00 0.00 O ATOM 430 OE2 GLU A 32 13.948 -6.363 2.061 1.00 0.00 O ATOM 0 H GLU A 32 11.313 -10.001 6.108 1.00 0.00 H new ATOM 0 HA GLU A 32 10.256 -7.573 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.704 -8.361 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.212 -9.597 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.532 -7.932 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.758 -6.634 3.286 1.00 0.00 H new ATOM 437 N LYS A 33 8.564 -8.514 3.379 1.00 0.00 N ATOM 438 CA LYS A 33 7.552 -9.023 2.461 1.00 0.00 C ATOM 439 C LYS A 33 8.086 -9.070 1.033 1.00 0.00 C ATOM 440 O LYS A 33 7.837 -10.024 0.298 1.00 0.00 O ATOM 441 CB LYS A 33 6.296 -8.150 2.518 1.00 0.00 C ATOM 442 CG LYS A 33 5.231 -8.549 1.512 1.00 0.00 C ATOM 443 CD LYS A 33 4.472 -9.786 1.965 1.00 0.00 C ATOM 444 CE LYS A 33 3.778 -10.472 0.798 1.00 0.00 C ATOM 445 NZ LYS A 33 3.239 -11.806 1.181 1.00 0.00 N ATOM 0 H LYS A 33 8.410 -7.553 3.685 1.00 0.00 H new ATOM 0 HA LYS A 33 7.297 -10.037 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.873 -8.202 3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.577 -7.112 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.533 -7.723 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.696 -8.740 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.161 -10.483 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.733 -9.506 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.965 -9.842 0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.482 -10.587 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.774 -12.241 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.018 -12.416 1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.548 -11.694 1.950 1.00 0.00 H new ATOM 459 N GLY A 34 8.825 -8.034 0.648 1.00 0.00 N ATOM 460 CA GLY A 34 9.384 -7.978 -0.690 1.00 0.00 C ATOM 461 C GLY A 34 9.635 -6.557 -1.155 1.00 0.00 C ATOM 462 O GLY A 34 8.765 -5.695 -1.034 1.00 0.00 O ATOM 0 H GLY A 34 9.046 -7.233 1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.321 -8.535 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.704 -8.470 -1.385 1.00 0.00 H new ATOM 466 N ILE A 35 10.828 -6.313 -1.687 1.00 0.00 N ATOM 467 CA ILE A 35 11.191 -4.986 -2.170 1.00 0.00 C ATOM 468 C ILE A 35 10.477 -4.664 -3.478 1.00 0.00 C ATOM 469 O ILE A 35 10.267 -5.540 -4.316 1.00 0.00 O ATOM 470 CB ILE A 35 12.711 -4.861 -2.384 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.462 -5.266 -1.113 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.074 -3.440 -2.790 1.00 0.00 C ATOM 473 CD1 ILE A 35 14.955 -5.401 -1.311 1.00 0.00 C ATOM 0 H ILE A 35 11.559 -7.016 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 35 10.881 -4.275 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 35 13.006 -5.535 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.272 -4.525 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.064 -6.215 -0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.152 -3.368 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.563 -3.185 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.768 -2.748 -2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.422 -5.690 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.155 -6.163 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.366 -4.447 -1.642 1.00 0.00 H new ATOM 485 N GLY A 36 10.107 -3.398 -3.648 1.00 0.00 N ATOM 486 CA GLY A 36 9.422 -2.981 -4.857 1.00 0.00 C ATOM 487 C GLY A 36 9.191 -1.483 -4.906 1.00 0.00 C ATOM 488 O GLY A 36 9.924 -0.714 -4.285 1.00 0.00 O ATOM 0 H GLY A 36 10.270 -2.654 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.007 -3.284 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.463 -3.496 -4.924 1.00 0.00 H new ATOM 492 N THR A 37 8.171 -1.067 -5.649 1.00 0.00 N ATOM 493 CA THR A 37 7.847 0.348 -5.780 1.00 0.00 C ATOM 494 C THR A 37 6.388 0.613 -5.429 1.00 0.00 C ATOM 495 O THR A 37 5.510 -0.200 -5.722 1.00 0.00 O ATOM 496 CB THR A 37 8.120 0.857 -7.208 1.00 0.00 C ATOM 497 OG1 THR A 37 9.376 0.352 -7.677 1.00 0.00 O ATOM 498 CG2 THR A 37 8.133 2.378 -7.247 1.00 0.00 C ATOM 0 H THR A 37 7.554 -1.690 -6.170 1.00 0.00 H new ATOM 0 HA THR A 37 8.489 0.885 -5.082 1.00 0.00 H new ATOM 0 HB THR A 37 7.320 0.499 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.541 0.679 -8.586 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.328 2.714 -8.265 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.166 2.759 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.915 2.752 -6.586 1.00 0.00 H new ATOM 506 N LEU A 38 6.134 1.756 -4.800 1.00 0.00 N ATOM 507 CA LEU A 38 4.779 2.129 -4.408 1.00 0.00 C ATOM 508 C LEU A 38 4.190 3.141 -5.385 1.00 0.00 C ATOM 509 O LEU A 38 4.879 4.054 -5.842 1.00 0.00 O ATOM 510 CB LEU A 38 4.778 2.709 -2.993 1.00 0.00 C ATOM 511 CG LEU A 38 3.485 3.395 -2.550 1.00 0.00 C ATOM 512 CD1 LEU A 38 3.299 4.712 -3.289 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.290 2.480 -2.779 1.00 0.00 C ATOM 0 H LEU A 38 6.848 2.440 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 38 4.161 1.231 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.997 1.904 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.593 3.429 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 38 3.556 3.607 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.374 5.186 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.140 5.371 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.250 4.524 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.379 2.985 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.216 2.237 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.419 1.563 -2.204 1.00 0.00 H new ATOM 525 N HIS A 39 2.909 2.974 -5.702 1.00 0.00 N ATOM 526 CA HIS A 39 2.226 3.875 -6.623 1.00 0.00 C ATOM 527 C HIS A 39 0.830 4.218 -6.111 1.00 0.00 C ATOM 528 O HIS A 39 -0.020 3.340 -5.960 1.00 0.00 O ATOM 529 CB HIS A 39 2.132 3.243 -8.012 1.00 0.00 C ATOM 530 CG HIS A 39 3.449 3.154 -8.720 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.599 2.529 -8.374 1.00 0.00 N flip ATOM 532 CD2 HIS A 39 3.692 3.757 -9.936 1.00 0.00 C flip ATOM 533 CE1 HIS A 39 5.506 2.762 -9.379 1.00 0.00 C flip ATOM 534 NE2 HIS A 39 4.934 3.505 -10.309 1.00 0.00 N flip ATOM 0 H HIS A 39 2.324 2.223 -5.335 1.00 0.00 H new ATOM 0 HA HIS A 39 2.806 4.796 -6.690 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.710 2.242 -7.919 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.440 3.825 -8.621 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.979 4.344 -10.496 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.522 2.397 -9.404 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.376 3.829 -11.169 1.00 0.00 H new ATOM 542 N LEU A 40 0.600 5.499 -5.846 1.00 0.00 N ATOM 543 CA LEU A 40 -0.693 5.959 -5.351 1.00 0.00 C ATOM 544 C LEU A 40 -1.592 6.399 -6.502 1.00 0.00 C ATOM 545 O LEU A 40 -1.382 7.455 -7.099 1.00 0.00 O ATOM 546 CB LEU A 40 -0.503 7.114 -4.367 1.00 0.00 C ATOM 547 CG LEU A 40 -0.091 6.725 -2.946 1.00 0.00 C ATOM 548 CD1 LEU A 40 0.085 7.965 -2.083 1.00 0.00 C ATOM 549 CD2 LEU A 40 -1.118 5.786 -2.332 1.00 0.00 C ATOM 0 H LEU A 40 1.292 6.238 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.174 5.127 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.252 7.788 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.436 7.676 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 40 0.865 6.203 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.378 7.669 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.858 8.601 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.855 8.515 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.809 5.520 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.088 6.281 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.194 4.883 -2.938 1.00 0.00 H new ATOM 561 N LYS A 41 -2.595 5.583 -6.808 1.00 0.00 N ATOM 562 CA LYS A 41 -3.529 5.888 -7.885 1.00 0.00 C ATOM 563 C LYS A 41 -4.888 6.299 -7.326 1.00 0.00 C ATOM 564 O LYS A 41 -5.534 5.553 -6.590 1.00 0.00 O ATOM 565 CB LYS A 41 -3.690 4.678 -8.807 1.00 0.00 C ATOM 566 CG LYS A 41 -2.413 4.294 -9.535 1.00 0.00 C ATOM 567 CD LYS A 41 -2.579 2.994 -10.304 1.00 0.00 C ATOM 568 CE LYS A 41 -2.311 1.785 -9.421 1.00 0.00 C ATOM 569 NZ LYS A 41 -2.982 0.561 -9.938 1.00 0.00 N ATOM 0 H LYS A 41 -2.782 4.704 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.124 6.722 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.033 3.827 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.467 4.892 -9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.131 5.091 -10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.600 4.191 -8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.590 2.935 -10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.897 2.983 -11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.237 1.612 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.660 1.990 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.206 -0.073 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.860 0.827 -10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.349 0.073 -10.603 1.00 0.00 H new ATOM 583 N PRO A 42 -5.334 7.512 -7.683 1.00 0.00 N ATOM 584 CA PRO A 42 -6.621 8.048 -7.230 1.00 0.00 C ATOM 585 C PRO A 42 -7.805 7.321 -7.858 1.00 0.00 C ATOM 586 O PRO A 42 -7.644 6.559 -8.812 1.00 0.00 O ATOM 587 CB PRO A 42 -6.581 9.506 -7.695 1.00 0.00 C ATOM 588 CG PRO A 42 -5.646 9.509 -8.854 1.00 0.00 C ATOM 589 CD PRO A 42 -4.615 8.455 -8.558 1.00 0.00 C ATOM 0 HA PRO A 42 -6.755 7.933 -6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.572 9.856 -7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.229 10.165 -6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.174 9.289 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.180 10.487 -8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.263 7.970 -9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.740 8.876 -8.062 1.00 0.00 H new ATOM 597 N THR A 43 -8.995 7.560 -7.317 1.00 0.00 N ATOM 598 CA THR A 43 -10.206 6.928 -7.824 1.00 0.00 C ATOM 599 C THR A 43 -11.288 7.962 -8.114 1.00 0.00 C ATOM 600 O THR A 43 -11.155 9.131 -7.751 1.00 0.00 O ATOM 601 CB THR A 43 -10.758 5.891 -6.828 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.111 6.533 -5.598 1.00 0.00 O ATOM 603 CG2 THR A 43 -9.732 4.799 -6.560 1.00 0.00 C ATOM 0 H THR A 43 -9.146 8.187 -6.527 1.00 0.00 H new ATOM 0 HA THR A 43 -9.933 6.423 -8.750 1.00 0.00 H new ATOM 0 HB THR A 43 -11.645 5.434 -7.267 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.019 6.270 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.144 4.078 -5.854 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.487 4.293 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.829 5.243 -6.140 1.00 0.00 H new ATOM 611 N ALA A 44 -12.358 7.525 -8.768 1.00 0.00 N ATOM 612 CA ALA A 44 -13.464 8.414 -9.104 1.00 0.00 C ATOM 613 C ALA A 44 -14.241 8.819 -7.855 1.00 0.00 C ATOM 614 O ALA A 44 -14.929 9.838 -7.845 1.00 0.00 O ATOM 615 CB ALA A 44 -14.390 7.748 -10.111 1.00 0.00 C ATOM 0 H ALA A 44 -12.483 6.561 -9.076 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.049 9.317 -9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.211 8.423 -10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.833 7.515 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.790 6.828 -9.684 1.00 0.00 H new ATOM 621 N ASN A 45 -14.125 8.013 -6.805 1.00 0.00 N ATOM 622 CA ASN A 45 -14.818 8.288 -5.551 1.00 0.00 C ATOM 623 C ASN A 45 -13.993 9.217 -4.666 1.00 0.00 C ATOM 624 O ASN A 45 -14.227 9.311 -3.461 1.00 0.00 O ATOM 625 CB ASN A 45 -15.109 6.982 -4.808 1.00 0.00 C ATOM 626 CG ASN A 45 -15.750 5.939 -5.702 1.00 0.00 C ATOM 627 OD1 ASN A 45 -15.072 5.061 -6.237 1.00 0.00 O ATOM 628 ND2 ASN A 45 -17.064 6.030 -5.869 1.00 0.00 N ATOM 0 H ASN A 45 -13.558 7.165 -6.797 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.761 8.782 -5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.180 6.585 -4.399 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -15.767 7.187 -3.963 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.551 5.356 -6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.587 6.774 -5.406 1.00 0.00 H new ATOM 635 N GLN A 46 -13.029 9.901 -5.272 1.00 0.00 N ATOM 636 CA GLN A 46 -12.169 10.823 -4.539 1.00 0.00 C ATOM 637 C GLN A 46 -11.351 10.083 -3.485 1.00 0.00 C ATOM 638 O GLN A 46 -11.091 10.609 -2.403 1.00 0.00 O ATOM 639 CB GLN A 46 -13.008 11.917 -3.875 1.00 0.00 C ATOM 640 CG GLN A 46 -13.673 12.858 -4.866 1.00 0.00 C ATOM 641 CD GLN A 46 -13.932 14.233 -4.281 1.00 0.00 C ATOM 642 OE1 GLN A 46 -13.260 14.656 -3.339 1.00 0.00 O ATOM 643 NE2 GLN A 46 -14.909 14.939 -4.837 1.00 0.00 N ATOM 0 H GLN A 46 -12.823 9.835 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.482 11.282 -5.249 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.776 11.450 -3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.371 12.497 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.041 12.956 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.617 12.424 -5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.440 14.549 -5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.128 15.871 -4.486 1.00 0.00 H new ATOM 652 N LYS A 47 -10.948 8.859 -3.809 1.00 0.00 N ATOM 653 CA LYS A 47 -10.158 8.046 -2.892 1.00 0.00 C ATOM 654 C LYS A 47 -8.821 7.662 -3.518 1.00 0.00 C ATOM 655 O LYS A 47 -8.552 7.980 -4.677 1.00 0.00 O ATOM 656 CB LYS A 47 -10.932 6.784 -2.502 1.00 0.00 C ATOM 657 CG LYS A 47 -12.310 7.068 -1.930 1.00 0.00 C ATOM 658 CD LYS A 47 -12.860 5.867 -1.178 1.00 0.00 C ATOM 659 CE LYS A 47 -13.541 4.884 -2.119 1.00 0.00 C ATOM 660 NZ LYS A 47 -14.113 3.721 -1.386 1.00 0.00 N ATOM 0 H LYS A 47 -11.156 8.408 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.963 8.637 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.037 6.146 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.352 6.224 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.257 7.925 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.992 7.337 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.050 5.365 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.572 6.203 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.334 5.394 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.822 4.530 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.462 3.018 -2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.377 3.290 -0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.900 4.042 -0.786 1.00 0.00 H new ATOM 674 N THR A 48 -7.986 6.975 -2.744 1.00 0.00 N ATOM 675 CA THR A 48 -6.678 6.548 -3.223 1.00 0.00 C ATOM 676 C THR A 48 -6.448 5.067 -2.946 1.00 0.00 C ATOM 677 O THR A 48 -6.679 4.591 -1.835 1.00 0.00 O ATOM 678 CB THR A 48 -5.546 7.363 -2.569 1.00 0.00 C ATOM 679 OG1 THR A 48 -5.734 8.759 -2.830 1.00 0.00 O ATOM 680 CG2 THR A 48 -4.188 6.922 -3.094 1.00 0.00 C ATOM 0 H THR A 48 -8.193 6.703 -1.783 1.00 0.00 H new ATOM 0 HA THR A 48 -6.664 6.720 -4.299 1.00 0.00 H new ATOM 0 HB THR A 48 -5.576 7.187 -1.494 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.052 9.068 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.405 7.512 -2.618 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.036 5.867 -2.868 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.149 7.071 -4.173 1.00 0.00 H new ATOM 688 N GLN A 49 -5.990 4.343 -3.963 1.00 0.00 N ATOM 689 CA GLN A 49 -5.729 2.915 -3.827 1.00 0.00 C ATOM 690 C GLN A 49 -4.233 2.646 -3.693 1.00 0.00 C ATOM 691 O GLN A 49 -3.433 3.107 -4.508 1.00 0.00 O ATOM 692 CB GLN A 49 -6.290 2.156 -5.030 1.00 0.00 C ATOM 693 CG GLN A 49 -5.878 0.693 -5.072 1.00 0.00 C ATOM 694 CD GLN A 49 -6.210 0.031 -6.395 1.00 0.00 C ATOM 695 OE1 GLN A 49 -7.242 0.316 -7.003 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.334 -0.858 -6.849 1.00 0.00 N ATOM 0 H GLN A 49 -5.792 4.722 -4.889 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.225 2.565 -2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.378 2.218 -5.013 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.957 2.645 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.806 0.616 -4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.377 0.156 -4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.491 -1.064 -6.312 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.504 -1.335 -7.734 1.00 0.00 H new ATOM 705 N LEU A 50 -3.863 1.897 -2.660 1.00 0.00 N ATOM 706 CA LEU A 50 -2.463 1.566 -2.418 1.00 0.00 C ATOM 707 C LEU A 50 -2.039 0.356 -3.244 1.00 0.00 C ATOM 708 O LEU A 50 -2.663 -0.704 -3.178 1.00 0.00 O ATOM 709 CB LEU A 50 -2.233 1.289 -0.931 1.00 0.00 C ATOM 710 CG LEU A 50 -0.787 1.395 -0.445 1.00 0.00 C ATOM 711 CD1 LEU A 50 0.090 0.373 -1.151 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.252 2.802 -0.664 1.00 0.00 C ATOM 0 H LEU A 50 -4.513 1.508 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.856 2.420 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.841 1.985 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.598 0.286 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.767 1.183 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.115 0.464 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.280 -0.631 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.065 0.552 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.778 2.858 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.286 3.043 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.864 3.514 -0.110 1.00 0.00 H new ATOM 724 N LEU A 51 -0.973 0.520 -4.021 1.00 0.00 N ATOM 725 CA LEU A 51 -0.464 -0.559 -4.859 1.00 0.00 C ATOM 726 C LEU A 51 1.061 -0.557 -4.883 1.00 0.00 C ATOM 727 O LEU A 51 1.688 0.488 -5.059 1.00 0.00 O ATOM 728 CB LEU A 51 -1.008 -0.427 -6.282 1.00 0.00 C ATOM 729 CG LEU A 51 -0.804 -1.637 -7.194 1.00 0.00 C ATOM 730 CD1 LEU A 51 -1.987 -2.587 -7.092 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.599 -1.191 -8.635 1.00 0.00 C ATOM 0 H LEU A 51 -0.445 1.390 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.801 -1.505 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.076 -0.218 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.539 0.439 -6.750 1.00 0.00 H new ATOM 0 HG LEU A 51 0.091 -2.167 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.824 -3.442 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.088 -2.933 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.897 -2.068 -7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.455 -2.066 -9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.475 -0.637 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.281 -0.550 -8.696 1.00 0.00 H new ATOM 743 N VAL A 52 1.653 -1.734 -4.706 1.00 0.00 N ATOM 744 CA VAL A 52 3.105 -1.868 -4.710 1.00 0.00 C ATOM 745 C VAL A 52 3.554 -2.948 -5.688 1.00 0.00 C ATOM 746 O VAL A 52 3.190 -4.116 -5.549 1.00 0.00 O ATOM 747 CB VAL A 52 3.642 -2.206 -3.307 1.00 0.00 C ATOM 748 CG1 VAL A 52 5.128 -2.526 -3.366 1.00 0.00 C ATOM 749 CG2 VAL A 52 3.373 -1.060 -2.344 1.00 0.00 C ATOM 0 H VAL A 52 1.149 -2.609 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 52 3.511 -0.906 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 52 3.119 -3.089 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.489 -2.762 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.290 -3.381 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.671 -1.664 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.759 -1.316 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.868 -0.158 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.299 -0.884 -2.279 1.00 0.00 H new ATOM 759 N ARG A 53 4.347 -2.550 -6.677 1.00 0.00 N ATOM 760 CA ARG A 53 4.846 -3.484 -7.680 1.00 0.00 C ATOM 761 C ARG A 53 6.119 -4.172 -7.196 1.00 0.00 C ATOM 762 O ARG A 53 6.895 -3.598 -6.432 1.00 0.00 O ATOM 763 CB ARG A 53 5.116 -2.756 -8.997 1.00 0.00 C ATOM 764 CG ARG A 53 6.431 -1.992 -9.012 1.00 0.00 C ATOM 765 CD ARG A 53 6.475 -0.982 -10.148 1.00 0.00 C ATOM 766 NE ARG A 53 7.844 -0.603 -10.490 1.00 0.00 N ATOM 767 CZ ARG A 53 8.160 0.127 -11.554 1.00 0.00 C ATOM 768 NH1 ARG A 53 7.211 0.554 -12.375 1.00 0.00 N ATOM 769 NH2 ARG A 53 9.429 0.431 -11.798 1.00 0.00 N ATOM 0 H ARG A 53 4.658 -1.587 -6.806 1.00 0.00 H new ATOM 0 HA ARG A 53 4.082 -4.244 -7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.118 -3.482 -9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.299 -2.061 -9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.565 -1.477 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.259 -2.693 -9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.985 -1.402 -11.026 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.913 -0.092 -9.864 1.00 0.00 H new ATOM 0 HE ARG A 53 8.598 -0.916 -9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.235 0.322 -12.191 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.457 1.114 -13.191 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.162 0.104 -11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.671 0.991 -12.615 1.00 0.00 H new ATOM 783 N ALA A 54 6.326 -5.406 -7.645 1.00 0.00 N ATOM 784 CA ALA A 54 7.505 -6.171 -7.260 1.00 0.00 C ATOM 785 C ALA A 54 8.714 -5.779 -8.102 1.00 0.00 C ATOM 786 O ALA A 54 8.570 -5.229 -9.194 1.00 0.00 O ATOM 787 CB ALA A 54 7.232 -7.662 -7.389 1.00 0.00 C ATOM 0 H ALA A 54 5.692 -5.897 -8.276 1.00 0.00 H new ATOM 0 HA ALA A 54 7.731 -5.942 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.121 -8.221 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.401 -7.937 -6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.977 -7.897 -8.422 1.00 0.00 H new ATOM 793 N ASP A 55 9.905 -6.063 -7.587 1.00 0.00 N ATOM 794 CA ASP A 55 11.140 -5.740 -8.292 1.00 0.00 C ATOM 795 C ASP A 55 11.662 -6.952 -9.058 1.00 0.00 C ATOM 796 O ASP A 55 12.107 -6.834 -10.200 1.00 0.00 O ATOM 797 CB ASP A 55 12.201 -5.248 -7.307 1.00 0.00 C ATOM 798 CG ASP A 55 12.882 -6.386 -6.573 1.00 0.00 C ATOM 799 OD1 ASP A 55 13.840 -6.962 -7.129 1.00 0.00 O ATOM 800 OD2 ASP A 55 12.456 -6.703 -5.442 1.00 0.00 O ATOM 0 H ASP A 55 10.042 -6.516 -6.684 1.00 0.00 H new ATOM 0 HA ASP A 55 10.924 -4.946 -9.007 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.950 -4.667 -7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.737 -4.578 -6.583 1.00 0.00 H new ATOM 805 N THR A 56 11.606 -8.117 -8.420 1.00 0.00 N ATOM 806 CA THR A 56 12.075 -9.350 -9.040 1.00 0.00 C ATOM 807 C THR A 56 11.389 -9.588 -10.380 1.00 0.00 C ATOM 808 O THR A 56 10.244 -9.185 -10.582 1.00 0.00 O ATOM 809 CB THR A 56 11.828 -10.567 -8.127 1.00 0.00 C ATOM 810 OG1 THR A 56 12.541 -11.705 -8.625 1.00 0.00 O ATOM 811 CG2 THR A 56 10.344 -10.888 -8.043 1.00 0.00 C ATOM 0 H THR A 56 11.241 -8.232 -7.475 1.00 0.00 H new ATOM 0 HA THR A 56 13.147 -9.235 -9.199 1.00 0.00 H new ATOM 0 HB THR A 56 12.187 -10.323 -7.127 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.173 -11.967 -9.495 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.194 -11.750 -7.393 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.809 -10.030 -7.636 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.964 -11.114 -9.039 1.00 0.00 H new ATOM 819 N ASN A 57 12.096 -10.245 -11.294 1.00 0.00 N ATOM 820 CA ASN A 57 11.554 -10.536 -12.616 1.00 0.00 C ATOM 821 C ASN A 57 10.057 -10.819 -12.540 1.00 0.00 C ATOM 822 O ASN A 57 9.283 -10.358 -13.380 1.00 0.00 O ATOM 823 CB ASN A 57 12.279 -11.732 -13.235 1.00 0.00 C ATOM 824 CG ASN A 57 12.207 -12.969 -12.360 1.00 0.00 C ATOM 825 OD1 ASN A 57 12.407 -12.897 -11.148 1.00 0.00 O ATOM 826 ND2 ASN A 57 11.920 -14.111 -12.973 1.00 0.00 N ATOM 0 H ASN A 57 13.045 -10.586 -11.143 1.00 0.00 H new ATOM 0 HA ASN A 57 11.709 -9.660 -13.246 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.843 -11.953 -14.209 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.324 -11.471 -13.406 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.858 -14.976 -12.436 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.762 -14.123 -13.981 1.00 0.00 H new ATOM 833 N LEU A 58 9.655 -11.579 -11.527 1.00 0.00 N ATOM 834 CA LEU A 58 8.249 -11.923 -11.339 1.00 0.00 C ATOM 835 C LEU A 58 7.410 -10.673 -11.098 1.00 0.00 C ATOM 836 O LEU A 58 7.634 -9.938 -10.137 1.00 0.00 O ATOM 837 CB LEU A 58 8.093 -12.891 -10.165 1.00 0.00 C ATOM 838 CG LEU A 58 8.159 -14.380 -10.508 1.00 0.00 C ATOM 839 CD1 LEU A 58 9.595 -14.802 -10.779 1.00 0.00 C ATOM 840 CD2 LEU A 58 7.559 -15.213 -9.386 1.00 0.00 C ATOM 0 H LEU A 58 10.282 -11.969 -10.823 1.00 0.00 H new ATOM 0 HA LEU A 58 7.894 -12.406 -12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.872 -12.672 -9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.137 -12.692 -9.681 1.00 0.00 H new ATOM 0 HG LEU A 58 7.575 -14.551 -11.412 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.622 -15.864 -11.021 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.991 -14.228 -11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.202 -14.616 -9.893 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.615 -16.270 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.115 -15.037 -8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.517 -14.930 -9.240 1.00 0.00 H new ATOM 852 N GLY A 59 6.440 -10.439 -11.977 1.00 0.00 N ATOM 853 CA GLY A 59 5.580 -9.278 -11.840 1.00 0.00 C ATOM 854 C GLY A 59 4.377 -9.548 -10.958 1.00 0.00 C ATOM 855 O GLY A 59 3.251 -9.196 -11.308 1.00 0.00 O ATOM 0 H GLY A 59 6.235 -11.032 -12.781 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.155 -8.451 -11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.240 -8.963 -12.827 1.00 0.00 H new ATOM 859 N ASN A 60 4.615 -10.175 -9.811 1.00 0.00 N ATOM 860 CA ASN A 60 3.541 -10.495 -8.877 1.00 0.00 C ATOM 861 C ASN A 60 3.368 -9.383 -7.847 1.00 0.00 C ATOM 862 O ASN A 60 4.312 -9.021 -7.145 1.00 0.00 O ATOM 863 CB ASN A 60 3.830 -11.820 -8.170 1.00 0.00 C ATOM 864 CG ASN A 60 3.138 -11.920 -6.824 1.00 0.00 C ATOM 865 OD1 ASN A 60 1.932 -12.155 -6.750 1.00 0.00 O ATOM 866 ND2 ASN A 60 3.901 -11.742 -5.752 1.00 0.00 N ATOM 0 H ASN A 60 5.542 -10.472 -9.506 1.00 0.00 H new ATOM 0 HA ASN A 60 2.615 -10.588 -9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.506 -12.645 -8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.906 -11.928 -8.031 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.491 -11.798 -4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.897 -11.549 -5.861 1.00 0.00 H new ATOM 873 N ILE A 61 2.155 -8.846 -7.763 1.00 0.00 N ATOM 874 CA ILE A 61 1.858 -7.777 -6.818 1.00 0.00 C ATOM 875 C ILE A 61 2.216 -8.187 -5.393 1.00 0.00 C ATOM 876 O ILE A 61 2.082 -9.353 -5.019 1.00 0.00 O ATOM 877 CB ILE A 61 0.371 -7.380 -6.867 1.00 0.00 C ATOM 878 CG1 ILE A 61 0.103 -6.466 -8.065 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.038 -6.696 -5.571 1.00 0.00 C ATOM 880 CD1 ILE A 61 0.530 -5.033 -7.839 1.00 0.00 C ATOM 0 H ILE A 61 1.363 -9.134 -8.338 1.00 0.00 H new ATOM 0 HA ILE A 61 2.465 -6.920 -7.110 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.227 -8.284 -6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.627 -6.860 -8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.962 -6.487 -8.297 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.092 -6.421 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.120 -7.377 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.564 -5.799 -5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.310 -4.443 -8.729 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.012 -4.622 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.601 -5.000 -7.637 1.00 0.00 H new ATOM 892 N LEU A 62 2.671 -7.222 -4.602 1.00 0.00 N ATOM 893 CA LEU A 62 3.047 -7.481 -3.217 1.00 0.00 C ATOM 894 C LEU A 62 1.908 -7.123 -2.267 1.00 0.00 C ATOM 895 O LEU A 62 1.563 -7.899 -1.375 1.00 0.00 O ATOM 896 CB LEU A 62 4.301 -6.684 -2.851 1.00 0.00 C ATOM 897 CG LEU A 62 5.566 -7.024 -3.639 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.661 -6.008 -3.356 1.00 0.00 C ATOM 899 CD2 LEU A 62 6.042 -8.430 -3.304 1.00 0.00 C ATOM 0 H LEU A 62 2.789 -6.252 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 62 3.258 -8.546 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.086 -5.624 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.506 -6.834 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 62 5.329 -6.986 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.553 -6.267 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.320 -5.015 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.896 -6.013 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.943 -8.655 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.261 -8.496 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.263 -9.148 -3.559 1.00 0.00 H new ATOM 911 N LEU A 63 1.326 -5.946 -2.467 1.00 0.00 N ATOM 912 CA LEU A 63 0.224 -5.486 -1.629 1.00 0.00 C ATOM 913 C LEU A 63 -0.670 -4.514 -2.392 1.00 0.00 C ATOM 914 O LEU A 63 -0.256 -3.404 -2.725 1.00 0.00 O ATOM 915 CB LEU A 63 0.763 -4.815 -0.365 1.00 0.00 C ATOM 916 CG LEU A 63 -0.253 -4.025 0.461 1.00 0.00 C ATOM 917 CD1 LEU A 63 -0.980 -4.943 1.432 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.434 -2.892 1.209 1.00 0.00 C ATOM 0 H LEU A 63 1.598 -5.293 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.371 -6.354 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.200 -5.584 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.571 -4.141 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.988 -3.593 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.699 -4.364 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.504 -5.720 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.258 -5.404 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.304 -2.340 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.190 -3.303 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.909 -2.219 0.494 1.00 0.00 H new ATOM 930 N ASN A 64 -1.900 -4.938 -2.665 1.00 0.00 N ATOM 931 CA ASN A 64 -2.854 -4.105 -3.387 1.00 0.00 C ATOM 932 C ASN A 64 -4.153 -3.957 -2.600 1.00 0.00 C ATOM 933 O ASN A 64 -4.985 -4.864 -2.578 1.00 0.00 O ATOM 934 CB ASN A 64 -3.145 -4.703 -4.765 1.00 0.00 C ATOM 935 CG ASN A 64 -4.212 -3.930 -5.517 1.00 0.00 C ATOM 936 OD1 ASN A 64 -4.871 -3.054 -4.957 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.386 -4.253 -6.793 1.00 0.00 N ATOM 0 H ASN A 64 -2.259 -5.854 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.412 -3.117 -3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.227 -4.717 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.464 -5.739 -4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.089 -3.768 -7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.817 -4.986 -7.216 1.00 0.00 H new ATOM 944 N VAL A 65 -4.319 -2.807 -1.954 1.00 0.00 N ATOM 945 CA VAL A 65 -5.517 -2.539 -1.167 1.00 0.00 C ATOM 946 C VAL A 65 -5.934 -1.077 -1.281 1.00 0.00 C ATOM 947 O VAL A 65 -5.096 -0.194 -1.468 1.00 0.00 O ATOM 948 CB VAL A 65 -5.301 -2.885 0.319 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.023 -4.371 0.486 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.168 -2.053 0.900 1.00 0.00 C ATOM 0 H VAL A 65 -3.639 -2.046 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.308 -3.172 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.213 -2.647 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.873 -4.597 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.870 -4.944 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.126 -4.638 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.029 -2.310 1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.248 -2.257 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.413 -0.994 0.815 1.00 0.00 H new ATOM 960 N LEU A 66 -7.234 -0.828 -1.167 1.00 0.00 N ATOM 961 CA LEU A 66 -7.764 0.528 -1.257 1.00 0.00 C ATOM 962 C LEU A 66 -7.852 1.171 0.123 1.00 0.00 C ATOM 963 O LEU A 66 -8.421 0.596 1.051 1.00 0.00 O ATOM 964 CB LEU A 66 -9.145 0.515 -1.915 1.00 0.00 C ATOM 965 CG LEU A 66 -9.912 1.837 -1.893 1.00 0.00 C ATOM 966 CD1 LEU A 66 -9.289 2.832 -2.861 1.00 0.00 C ATOM 967 CD2 LEU A 66 -11.378 1.609 -2.231 1.00 0.00 C ATOM 0 H LEU A 66 -7.940 -1.547 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.082 1.118 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.028 0.203 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.753 -0.243 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.852 2.253 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.848 3.767 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.254 3.019 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.318 2.424 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.908 2.561 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.458 1.170 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.819 0.932 -1.499 1.00 0.00 H new ATOM 979 N ILE A 67 -7.287 2.367 0.250 1.00 0.00 N ATOM 980 CA ILE A 67 -7.305 3.089 1.516 1.00 0.00 C ATOM 981 C ILE A 67 -8.734 3.308 2.004 1.00 0.00 C ATOM 982 O ILE A 67 -9.519 4.036 1.396 1.00 0.00 O ATOM 983 CB ILE A 67 -6.601 4.453 1.397 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.125 4.260 1.041 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.741 5.238 2.693 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.416 5.548 0.685 1.00 0.00 C ATOM 0 H ILE A 67 -6.811 2.856 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.767 2.474 2.237 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.077 5.022 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.614 3.795 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.049 3.569 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.238 6.200 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.797 5.402 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.288 4.676 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.374 5.335 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.902 6.005 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.460 6.233 1.531 1.00 0.00 H new ATOM 998 N PRO A 68 -9.080 2.665 3.129 1.00 0.00 N ATOM 999 CA PRO A 68 -10.415 2.776 3.725 1.00 0.00 C ATOM 1000 C PRO A 68 -10.672 4.157 4.319 1.00 0.00 C ATOM 1001 O PRO A 68 -9.764 4.975 4.464 1.00 0.00 O ATOM 1002 CB PRO A 68 -10.400 1.714 4.828 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.961 1.554 5.180 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.195 1.781 3.906 1.00 0.00 C ATOM 0 HA PRO A 68 -11.204 2.633 2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.986 2.031 5.691 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.829 0.775 4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.665 2.270 5.946 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.766 0.559 5.581 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.228 2.247 4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.001 0.845 3.382 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.938 4.424 4.671 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.343 5.705 5.256 1.00 0.00 C ATOM 1014 C PRO A 69 -11.807 5.893 6.671 1.00 0.00 C ATOM 1015 O PRO A 69 -11.759 7.010 7.184 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.872 5.621 5.271 1.00 0.00 C ATOM 1017 CG PRO A 69 -14.170 4.162 5.307 1.00 0.00 C ATOM 1018 CD PRO A 69 -13.071 3.495 4.527 1.00 0.00 C ATOM 0 HA PRO A 69 -11.954 6.551 4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.288 6.132 6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.303 6.092 4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.199 3.795 6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.144 3.952 4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.835 2.509 4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.347 3.357 3.482 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.403 4.792 7.297 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.870 4.835 8.653 1.00 0.00 C ATOM 1028 C ASN A 70 -9.562 4.055 8.749 1.00 0.00 C ATOM 1029 O ASN A 70 -9.561 2.824 8.755 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.889 4.267 9.643 1.00 0.00 C ATOM 1031 CG ASN A 70 -13.293 4.776 9.382 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -13.481 5.825 8.766 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -14.289 4.033 9.852 1.00 0.00 N ATOM 0 H ASN A 70 -11.435 3.859 6.886 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.671 5.877 8.905 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.883 3.179 9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.592 4.532 10.658 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.255 4.325 9.708 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.087 3.170 10.357 1.00 0.00 H new ATOM 1040 N MET A 71 -8.451 4.780 8.823 1.00 0.00 N ATOM 1041 CA MET A 71 -7.137 4.156 8.920 1.00 0.00 C ATOM 1042 C MET A 71 -6.212 4.971 9.819 1.00 0.00 C ATOM 1043 O MET A 71 -6.004 6.167 9.614 1.00 0.00 O ATOM 1044 CB MET A 71 -6.515 4.008 7.530 1.00 0.00 C ATOM 1045 CG MET A 71 -5.165 3.309 7.540 1.00 0.00 C ATOM 1046 SD MET A 71 -4.159 3.721 6.101 1.00 0.00 S ATOM 1047 CE MET A 71 -2.792 4.578 6.877 1.00 0.00 C ATOM 0 H MET A 71 -8.434 5.800 8.818 1.00 0.00 H new ATOM 0 HA MET A 71 -7.264 3.167 9.361 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.200 3.449 6.892 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.400 4.996 7.085 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.625 3.583 8.446 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.319 2.230 7.574 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.954 4.630 6.182 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.102 5.587 7.148 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.487 4.039 7.774 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.645 4.311 10.840 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.734 4.956 11.790 1.00 0.00 C ATOM 1059 C PRO A 72 -3.397 5.321 11.155 1.00 0.00 C ATOM 1060 O PRO A 72 -2.975 4.705 10.176 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.538 3.891 12.872 1.00 0.00 C ATOM 1062 CG PRO A 72 -4.799 2.597 12.182 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.849 2.885 11.145 1.00 0.00 C ATOM 0 HA PRO A 72 -5.137 5.897 12.166 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.529 3.924 13.282 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.225 4.041 13.705 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.890 2.211 11.720 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.144 1.841 12.888 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.721 2.262 10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.853 2.695 11.526 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.735 6.326 11.718 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.444 6.774 11.205 1.00 0.00 C ATOM 1073 C CYS A 73 -0.450 6.983 12.343 1.00 0.00 C ATOM 1074 O CYS A 73 -0.785 7.564 13.376 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.610 8.070 10.411 1.00 0.00 C ATOM 1076 SG CYS A 73 -2.344 9.426 11.356 1.00 0.00 S ATOM 0 H CYS A 73 -3.070 6.846 12.529 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.054 6.000 10.544 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.634 8.385 10.042 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.232 7.872 9.538 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.030 9.300 12.611 1.00 0.00 H new ATOM 1082 N THR A 74 0.774 6.503 12.148 1.00 0.00 N ATOM 1083 CA THR A 74 1.816 6.634 13.158 1.00 0.00 C ATOM 1084 C THR A 74 3.185 6.823 12.514 1.00 0.00 C ATOM 1085 O THR A 74 3.786 5.869 12.020 1.00 0.00 O ATOM 1086 CB THR A 74 1.862 5.403 14.082 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.496 4.227 13.350 1.00 0.00 O ATOM 1088 CG2 THR A 74 0.925 5.581 15.267 1.00 0.00 C ATOM 0 H THR A 74 1.068 6.020 11.299 1.00 0.00 H new ATOM 0 HA THR A 74 1.571 7.515 13.751 1.00 0.00 H new ATOM 0 HB THR A 74 2.880 5.295 14.457 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.529 3.448 13.944 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.974 4.699 15.906 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.224 6.460 15.838 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.096 5.712 14.907 1.00 0.00 H new ATOM 1096 N ARG A 75 3.673 8.059 12.523 1.00 0.00 N ATOM 1097 CA ARG A 75 4.972 8.373 11.939 1.00 0.00 C ATOM 1098 C ARG A 75 6.103 7.957 12.875 1.00 0.00 C ATOM 1099 O ARG A 75 6.333 8.587 13.907 1.00 0.00 O ATOM 1100 CB ARG A 75 5.070 9.869 11.636 1.00 0.00 C ATOM 1101 CG ARG A 75 6.395 10.278 11.012 1.00 0.00 C ATOM 1102 CD ARG A 75 6.452 9.916 9.537 1.00 0.00 C ATOM 1103 NE ARG A 75 7.309 10.826 8.782 1.00 0.00 N ATOM 1104 CZ ARG A 75 8.633 10.846 8.889 1.00 0.00 C ATOM 1105 NH1 ARG A 75 9.248 10.009 9.713 1.00 0.00 N ATOM 1106 NH2 ARG A 75 9.345 11.703 8.169 1.00 0.00 N ATOM 0 H ARG A 75 3.188 8.860 12.928 1.00 0.00 H new ATOM 0 HA ARG A 75 5.069 7.814 11.008 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.259 10.149 10.963 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.925 10.429 12.560 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.537 11.352 11.130 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.213 9.788 11.540 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.822 8.896 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.445 9.936 9.120 1.00 0.00 H new ATOM 0 HE ARG A 75 6.867 11.482 8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.704 9.347 10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.265 10.027 9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.876 12.347 7.533 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.362 11.718 8.252 1.00 0.00 H new ATOM 1120 N THR A 76 6.807 6.890 12.507 1.00 0.00 N ATOM 1121 CA THR A 76 7.912 6.389 13.313 1.00 0.00 C ATOM 1122 C THR A 76 9.253 6.676 12.646 1.00 0.00 C ATOM 1123 O THR A 76 9.315 6.953 11.450 1.00 0.00 O ATOM 1124 CB THR A 76 7.787 4.873 13.558 1.00 0.00 C ATOM 1125 OG1 THR A 76 8.793 4.441 14.481 1.00 0.00 O ATOM 1126 CG2 THR A 76 7.923 4.102 12.254 1.00 0.00 C ATOM 0 H THR A 76 6.631 6.357 11.656 1.00 0.00 H new ATOM 0 HA THR A 76 7.866 6.909 14.270 1.00 0.00 H new ATOM 0 HB THR A 76 6.801 4.675 13.978 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.706 3.477 14.633 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.831 3.034 12.452 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.138 4.412 11.564 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.897 4.307 11.810 1.00 0.00 H new ATOM 1134 N GLY A 77 10.325 6.606 13.430 1.00 0.00 N ATOM 1135 CA GLY A 77 11.651 6.860 12.897 1.00 0.00 C ATOM 1136 C GLY A 77 11.720 8.151 12.106 1.00 0.00 C ATOM 1137 O GLY A 77 10.878 9.034 12.270 1.00 0.00 O ATOM 0 H GLY A 77 10.299 6.378 14.424 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.367 6.901 13.718 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.947 6.029 12.257 1.00 0.00 H new ATOM 1141 N LYS A 78 12.728 8.264 11.248 1.00 0.00 N ATOM 1142 CA LYS A 78 12.906 9.457 10.428 1.00 0.00 C ATOM 1143 C LYS A 78 12.304 9.259 9.041 1.00 0.00 C ATOM 1144 O LYS A 78 11.616 10.137 8.522 1.00 0.00 O ATOM 1145 CB LYS A 78 14.392 9.800 10.307 1.00 0.00 C ATOM 1146 CG LYS A 78 14.750 10.504 9.009 1.00 0.00 C ATOM 1147 CD LYS A 78 15.210 9.517 7.948 1.00 0.00 C ATOM 1148 CE LYS A 78 16.718 9.325 7.983 1.00 0.00 C ATOM 1149 NZ LYS A 78 17.146 8.152 7.171 1.00 0.00 N ATOM 0 H LYS A 78 13.435 7.543 11.102 1.00 0.00 H new ATOM 0 HA LYS A 78 12.387 10.283 10.915 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.679 10.434 11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.976 8.883 10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.885 11.056 8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.538 11.233 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.716 8.558 8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.910 9.874 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.208 10.224 7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.043 9.191 9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.019 7.752 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.397 7.430 7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.321 8.453 6.191 1.00 0.00 H new ATOM 1163 N ASN A 79 12.566 8.100 8.447 1.00 0.00 N ATOM 1164 CA ASN A 79 12.049 7.787 7.120 1.00 0.00 C ATOM 1165 C ASN A 79 11.125 6.573 7.168 1.00 0.00 C ATOM 1166 O ASN A 79 10.825 5.968 6.140 1.00 0.00 O ATOM 1167 CB ASN A 79 13.202 7.525 6.149 1.00 0.00 C ATOM 1168 CG ASN A 79 13.928 6.228 6.449 1.00 0.00 C ATOM 1169 OD1 ASN A 79 14.530 6.072 7.511 1.00 0.00 O ATOM 1170 ND2 ASN A 79 13.873 5.289 5.511 1.00 0.00 N ATOM 0 H ASN A 79 13.133 7.362 8.863 1.00 0.00 H new ATOM 0 HA ASN A 79 11.475 8.645 6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.815 7.494 5.130 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.909 8.353 6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.342 4.395 5.656 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.362 5.462 4.645 1.00 0.00 H new ATOM 1177 N ASN A 80 10.677 6.225 8.370 1.00 0.00 N ATOM 1178 CA ASN A 80 9.788 5.084 8.553 1.00 0.00 C ATOM 1179 C ASN A 80 8.341 5.542 8.707 1.00 0.00 C ATOM 1180 O ASN A 80 8.053 6.490 9.438 1.00 0.00 O ATOM 1181 CB ASN A 80 10.211 4.272 9.779 1.00 0.00 C ATOM 1182 CG ASN A 80 11.671 3.866 9.728 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.497 4.382 10.481 1.00 0.00 O ATOM 1184 ND2 ASN A 80 11.996 2.938 8.836 1.00 0.00 N ATOM 0 H ASN A 80 10.915 6.717 9.231 1.00 0.00 H new ATOM 0 HA ASN A 80 9.859 4.454 7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.031 4.859 10.680 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.591 3.379 9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.964 2.625 8.755 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.278 2.538 8.232 1.00 0.00 H new ATOM 1191 N VAL A 81 7.433 4.861 8.015 1.00 0.00 N ATOM 1192 CA VAL A 81 6.015 5.196 8.076 1.00 0.00 C ATOM 1193 C VAL A 81 5.181 3.986 8.481 1.00 0.00 C ATOM 1194 O VAL A 81 4.980 3.064 7.690 1.00 0.00 O ATOM 1195 CB VAL A 81 5.506 5.727 6.723 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.012 6.010 6.788 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.276 6.975 6.316 1.00 0.00 C ATOM 0 H VAL A 81 7.654 4.074 7.405 1.00 0.00 H new ATOM 0 HA VAL A 81 5.906 5.977 8.829 1.00 0.00 H new ATOM 0 HB VAL A 81 5.674 4.961 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.670 6.384 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.478 5.091 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.816 6.757 7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.903 7.336 5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.142 7.748 7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.336 6.736 6.226 1.00 0.00 H new ATOM 1207 N LEU A 82 4.698 3.996 9.718 1.00 0.00 N ATOM 1208 CA LEU A 82 3.884 2.899 10.230 1.00 0.00 C ATOM 1209 C LEU A 82 2.413 3.103 9.880 1.00 0.00 C ATOM 1210 O LEU A 82 1.842 4.160 10.147 1.00 0.00 O ATOM 1211 CB LEU A 82 4.047 2.781 11.746 1.00 0.00 C ATOM 1212 CG LEU A 82 3.952 1.368 12.324 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.008 0.466 11.705 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.097 1.401 13.838 1.00 0.00 C ATOM 0 H LEU A 82 4.856 4.751 10.385 1.00 0.00 H new ATOM 0 HA LEU A 82 4.226 1.976 9.761 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.015 3.200 12.021 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.286 3.399 12.222 1.00 0.00 H new ATOM 0 HG LEU A 82 2.970 0.962 12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.925 -0.535 12.128 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.858 0.417 10.626 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.999 0.868 11.916 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.027 0.387 14.232 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.065 1.827 14.102 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.303 2.013 14.266 1.00 0.00 H new ATOM 1226 N ILE A 83 1.806 2.083 9.283 1.00 0.00 N ATOM 1227 CA ILE A 83 0.401 2.149 8.900 1.00 0.00 C ATOM 1228 C ILE A 83 -0.283 0.798 9.083 1.00 0.00 C ATOM 1229 O ILE A 83 0.324 -0.251 8.869 1.00 0.00 O ATOM 1230 CB ILE A 83 0.237 2.601 7.437 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.963 1.636 6.498 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.762 4.018 7.259 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.607 1.829 5.040 1.00 0.00 C ATOM 0 H ILE A 83 2.265 1.201 9.054 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.070 2.883 9.553 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.824 2.593 7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.039 1.763 6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.727 0.612 6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.639 4.324 6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.205 4.696 7.905 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.819 4.051 7.524 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.159 1.111 4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.463 1.673 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.869 2.841 4.732 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.552 0.832 9.477 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.320 -0.390 9.686 1.00 0.00 C ATOM 1247 C VAL A 84 -3.309 -0.618 8.548 1.00 0.00 C ATOM 1248 O VAL A 84 -4.180 0.215 8.293 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.090 -0.348 11.019 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -3.735 -1.696 11.306 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.165 0.062 12.155 1.00 0.00 C ATOM 0 H VAL A 84 -2.070 1.692 9.658 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.605 -1.212 9.714 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.882 0.397 10.938 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.275 -1.647 12.252 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.430 -1.945 10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.963 -2.463 11.368 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.725 0.087 13.090 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.351 -0.658 12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.755 1.051 11.952 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.169 -1.750 7.868 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.050 -2.088 6.756 1.00 0.00 C ATOM 1263 C CYS A 85 -4.124 -3.599 6.560 1.00 0.00 C ATOM 1264 O CYS A 85 -3.277 -4.342 7.057 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.564 -1.418 5.470 1.00 0.00 C ATOM 1266 SG CYS A 85 -1.948 -1.998 4.901 1.00 0.00 S ATOM 0 H CYS A 85 -2.454 -2.449 8.067 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.049 -1.721 6.993 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.298 -1.591 4.683 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.516 -0.341 5.630 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.624 -1.375 3.807 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.143 -4.048 5.834 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.327 -5.470 5.573 1.00 0.00 C ATOM 1274 C VAL A 86 -4.417 -5.945 4.445 1.00 0.00 C ATOM 1275 O VAL A 86 -4.455 -5.433 3.326 1.00 0.00 O ATOM 1276 CB VAL A 86 -6.789 -5.788 5.205 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -6.978 -7.285 5.014 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.734 -5.255 6.272 1.00 0.00 C ATOM 0 H VAL A 86 -5.854 -3.447 5.416 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.067 -5.996 6.492 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.025 -5.293 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.017 -7.490 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.328 -7.634 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.725 -7.804 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.763 -5.488 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.501 -5.720 7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.617 -4.175 6.355 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.577 -6.947 4.745 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.641 -7.514 3.770 1.00 0.00 C ATOM 1290 C PRO A 87 -3.351 -8.305 2.677 1.00 0.00 C ATOM 1291 O PRO A 87 -4.022 -9.299 2.954 1.00 0.00 O ATOM 1292 CB PRO A 87 -1.764 -8.439 4.617 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.615 -8.804 5.784 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.477 -7.604 6.059 1.00 0.00 C ATOM 0 HA PRO A 87 -2.083 -6.740 3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.463 -9.323 4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.850 -7.937 4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.225 -9.680 5.563 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.003 -9.052 6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.457 -7.892 6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.026 -6.947 6.803 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.198 -7.858 1.435 1.00 0.00 N ATOM 1303 CA ASN A 88 -3.826 -8.525 0.300 1.00 0.00 C ATOM 1304 C ASN A 88 -2.781 -8.947 -0.728 1.00 0.00 C ATOM 1305 O ASN A 88 -2.111 -8.119 -1.345 1.00 0.00 O ATOM 1306 CB ASN A 88 -4.857 -7.604 -0.354 1.00 0.00 C ATOM 1307 CG ASN A 88 -5.999 -8.373 -0.990 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -6.387 -9.439 -0.511 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -6.542 -7.835 -2.076 1.00 0.00 N ATOM 0 H ASN A 88 -2.645 -7.037 1.189 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.330 -9.418 0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.256 -6.920 0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.366 -6.995 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.313 -8.307 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.188 -6.949 -2.438 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.637 -10.267 -0.919 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.429 -11.263 -0.190 1.00 0.00 C ATOM 1318 C PRO A 89 -3.051 -11.336 1.286 1.00 0.00 C ATOM 1319 O PRO A 89 -2.024 -10.811 1.715 1.00 0.00 O ATOM 1320 CB PRO A 89 -3.083 -12.577 -0.895 1.00 0.00 C ATOM 1321 CG PRO A 89 -1.736 -12.346 -1.487 1.00 0.00 C ATOM 1322 CD PRO A 89 -1.691 -10.890 -1.860 1.00 0.00 C ATOM 0 HA PRO A 89 -4.493 -11.025 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.069 -13.411 -0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.817 -12.819 -1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.949 -12.590 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.581 -12.978 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.687 -10.478 -1.752 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.991 -10.731 -2.896 1.00 0.00 H new ATOM 1330 N PRO A 90 -3.900 -12.002 2.083 1.00 0.00 N ATOM 1331 CA PRO A 90 -3.676 -12.160 3.523 1.00 0.00 C ATOM 1332 C PRO A 90 -2.506 -13.088 3.829 1.00 0.00 C ATOM 1333 O PRO A 90 -2.327 -14.113 3.170 1.00 0.00 O ATOM 1334 CB PRO A 90 -4.988 -12.770 4.021 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.557 -13.467 2.833 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.145 -12.653 1.639 1.00 0.00 C ATOM 0 HA PRO A 90 -3.421 -11.215 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.815 -13.465 4.842 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.666 -12.001 4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.178 -14.486 2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.643 -13.535 2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.980 -13.280 0.763 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.907 -11.922 1.369 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.714 -12.723 4.831 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.562 -13.526 5.224 1.00 0.00 C ATOM 1346 C ILE A 91 -0.991 -14.740 6.040 1.00 0.00 C ATOM 1347 O ILE A 91 -0.504 -15.850 5.824 1.00 0.00 O ATOM 1348 CB ILE A 91 0.445 -12.699 6.046 1.00 0.00 C ATOM 1349 CG1 ILE A 91 0.913 -11.482 5.245 1.00 0.00 C ATOM 1350 CG2 ILE A 91 1.632 -13.561 6.450 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.434 -10.355 6.109 1.00 0.00 C ATOM 0 H ILE A 91 -1.848 -11.877 5.385 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.081 -13.861 4.305 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.049 -12.347 6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.697 -11.791 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.083 -11.113 4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.335 -12.963 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.284 -14.399 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.128 -13.939 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.748 -9.526 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.646 -10.019 6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.284 -10.707 6.693 1.00 0.00 H new ATOM 1363 N ASP A 92 -1.907 -14.523 6.977 1.00 0.00 N ATOM 1364 CA ASP A 92 -2.405 -15.601 7.824 1.00 0.00 C ATOM 1365 C ASP A 92 -3.811 -16.017 7.404 1.00 0.00 C ATOM 1366 O ASP A 92 -4.600 -15.193 6.944 1.00 0.00 O ATOM 1367 CB ASP A 92 -2.406 -15.166 9.291 1.00 0.00 C ATOM 1368 CG ASP A 92 -1.007 -15.078 9.869 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -0.145 -14.427 9.242 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -0.775 -15.659 10.950 1.00 0.00 O ATOM 0 H ASP A 92 -2.320 -13.610 7.170 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.742 -16.458 7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.894 -14.195 9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.994 -15.873 9.876 1.00 0.00 H new ATOM 1375 N GLU A 93 -4.115 -17.301 7.564 1.00 0.00 N ATOM 1376 CA GLU A 93 -5.425 -17.827 7.198 1.00 0.00 C ATOM 1377 C GLU A 93 -6.390 -17.752 8.379 1.00 0.00 C ATOM 1378 O GLU A 93 -7.564 -17.419 8.216 1.00 0.00 O ATOM 1379 CB GLU A 93 -5.303 -19.274 6.716 1.00 0.00 C ATOM 1380 CG GLU A 93 -4.383 -19.440 5.519 1.00 0.00 C ATOM 1381 CD GLU A 93 -4.832 -18.627 4.320 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -6.055 -18.429 4.163 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -3.961 -18.188 3.540 1.00 0.00 O ATOM 0 H GLU A 93 -3.472 -17.996 7.944 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.820 -17.215 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.935 -19.891 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.294 -19.647 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.373 -19.141 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.339 -20.494 5.243 1.00 0.00 H new ATOM 1390 N LYS A 94 -5.886 -18.065 9.567 1.00 0.00 N ATOM 1391 CA LYS A 94 -6.700 -18.034 10.777 1.00 0.00 C ATOM 1392 C LYS A 94 -7.505 -16.741 10.857 1.00 0.00 C ATOM 1393 O LYS A 94 -8.602 -16.715 11.413 1.00 0.00 O ATOM 1394 CB LYS A 94 -5.814 -18.174 12.017 1.00 0.00 C ATOM 1395 CG LYS A 94 -5.078 -16.897 12.385 1.00 0.00 C ATOM 1396 CD LYS A 94 -4.792 -16.829 13.876 1.00 0.00 C ATOM 1397 CE LYS A 94 -4.669 -15.390 14.354 1.00 0.00 C ATOM 1398 NZ LYS A 94 -3.271 -14.889 14.250 1.00 0.00 N ATOM 0 H LYS A 94 -4.917 -18.343 9.719 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.395 -18.873 10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.430 -18.484 12.861 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.086 -18.967 11.846 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.141 -16.843 11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.674 -16.034 12.088 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.591 -17.329 14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.870 -17.367 14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.328 -14.754 13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.003 -15.321 15.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.229 -13.905 14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.646 -15.481 14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.960 -14.930 13.258 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.953 -15.670 10.296 1.00 0.00 N ATOM 1413 CA ASN A 95 -7.621 -14.373 10.304 1.00 0.00 C ATOM 1414 C ASN A 95 -7.097 -13.484 9.181 1.00 0.00 C ATOM 1415 O ASN A 95 -6.006 -12.922 9.278 1.00 0.00 O ATOM 1416 CB ASN A 95 -7.420 -13.681 11.654 1.00 0.00 C ATOM 1417 CG ASN A 95 -8.444 -14.115 12.685 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -8.078 -15.093 13.506 1.00 0.00 O flip ATOM 1419 ND2 ASN A 95 -9.550 -13.578 12.742 1.00 0.00 N flip ATOM 0 H ASN A 95 -6.045 -15.674 9.830 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.686 -14.540 10.144 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.419 -13.900 12.026 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.481 -12.601 11.518 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.788 -12.830 12.091 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.229 -13.881 13.441 1.00 0.00 H new ATOM 1426 N ALA A 96 -7.881 -13.362 8.115 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.498 -12.539 6.974 1.00 0.00 C ATOM 1428 C ALA A 96 -8.036 -11.120 7.115 1.00 0.00 C ATOM 1429 O ALA A 96 -7.273 -10.153 7.124 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.994 -13.168 5.680 1.00 0.00 C ATOM 0 H ALA A 96 -8.786 -13.823 8.018 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.410 -12.485 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.701 -12.543 4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.556 -14.160 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.080 -13.252 5.709 1.00 0.00 H new ATOM 1436 N THR A 97 -9.355 -10.999 7.226 1.00 0.00 N ATOM 1437 CA THR A 97 -9.995 -9.698 7.365 1.00 0.00 C ATOM 1438 C THR A 97 -9.232 -8.811 8.343 1.00 0.00 C ATOM 1439 O THR A 97 -9.040 -7.621 8.096 1.00 0.00 O ATOM 1440 CB THR A 97 -11.452 -9.836 7.845 1.00 0.00 C ATOM 1441 OG1 THR A 97 -12.179 -10.698 6.962 1.00 0.00 O ATOM 1442 CG2 THR A 97 -12.133 -8.477 7.908 1.00 0.00 C ATOM 0 H THR A 97 -10.001 -11.788 7.222 1.00 0.00 H new ATOM 0 HA THR A 97 -9.988 -9.236 6.378 1.00 0.00 H new ATOM 0 HB THR A 97 -11.442 -10.266 8.846 1.00 0.00 H new ATOM 0 HG1 THR A 97 -13.104 -10.782 7.275 1.00 0.00 H new ATOM 0 HG21 THR A 97 -13.161 -8.601 8.250 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.595 -7.832 8.603 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.132 -8.023 6.917 1.00 0.00 H new ATOM 1450 N MET A 98 -8.799 -9.399 9.453 1.00 0.00 N ATOM 1451 CA MET A 98 -8.055 -8.662 10.467 1.00 0.00 C ATOM 1452 C MET A 98 -6.783 -8.061 9.879 1.00 0.00 C ATOM 1453 O MET A 98 -5.949 -8.757 9.300 1.00 0.00 O ATOM 1454 CB MET A 98 -7.704 -9.579 11.640 1.00 0.00 C ATOM 1455 CG MET A 98 -7.631 -8.857 12.976 1.00 0.00 C ATOM 1456 SD MET A 98 -9.147 -7.962 13.365 1.00 0.00 S ATOM 1457 CE MET A 98 -9.974 -9.143 14.428 1.00 0.00 C ATOM 0 H MET A 98 -8.951 -10.383 9.673 1.00 0.00 H new ATOM 0 HA MET A 98 -8.687 -7.850 10.826 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.448 -10.372 11.705 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.745 -10.057 11.442 1.00 0.00 H new ATOM 0 HG2 MET A 98 -7.428 -9.581 13.765 1.00 0.00 H new ATOM 0 HG3 MET A 98 -6.795 -8.158 12.962 1.00 0.00 H new ATOM 0 HE1 MET A 98 -10.931 -8.733 14.752 1.00 0.00 H new ATOM 0 HE2 MET A 98 -10.143 -10.070 13.880 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.352 -9.346 15.300 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.628 -6.737 10.028 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.460 -6.013 9.518 1.00 0.00 C ATOM 1469 C PRO A 99 -4.189 -6.347 10.290 1.00 0.00 C ATOM 1470 O PRO A 99 -4.244 -6.904 11.387 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.837 -4.543 9.719 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.821 -4.555 10.838 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.583 -5.844 10.707 1.00 0.00 C ATOM 0 HA PRO A 99 -5.240 -6.273 8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.963 -3.940 9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.271 -4.118 8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.316 -4.497 11.802 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.491 -3.698 10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.879 -6.237 11.680 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.495 -5.714 10.125 1.00 0.00 H new ATOM 1481 N VAL A 100 -3.042 -6.004 9.711 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.756 -6.266 10.346 1.00 0.00 C ATOM 1483 C VAL A 100 -0.855 -5.038 10.289 1.00 0.00 C ATOM 1484 O VAL A 100 -1.036 -4.159 9.445 1.00 0.00 O ATOM 1485 CB VAL A 100 -1.033 -7.452 9.681 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -1.949 -8.664 9.609 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.538 -7.064 8.296 1.00 0.00 C ATOM 0 H VAL A 100 -2.978 -5.544 8.803 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.962 -6.514 11.387 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.169 -7.716 10.290 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.421 -9.492 9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.250 -8.953 10.616 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.834 -8.417 9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.029 -7.914 7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.385 -6.773 7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.156 -6.228 8.379 1.00 0.00 H new ATOM 1497 N THR A 101 0.119 -4.983 11.192 1.00 0.00 N ATOM 1498 CA THR A 101 1.050 -3.862 11.245 1.00 0.00 C ATOM 1499 C THR A 101 2.036 -3.911 10.084 1.00 0.00 C ATOM 1500 O THR A 101 2.808 -4.861 9.953 1.00 0.00 O ATOM 1501 CB THR A 101 1.834 -3.846 12.571 1.00 0.00 C ATOM 1502 OG1 THR A 101 0.928 -3.770 13.676 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.797 -2.669 12.616 1.00 0.00 C ATOM 0 H THR A 101 0.284 -5.702 11.897 1.00 0.00 H new ATOM 0 HA THR A 101 0.454 -2.952 11.173 1.00 0.00 H new ATOM 0 HB THR A 101 2.410 -4.769 12.638 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.435 -3.762 14.515 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.339 -2.679 13.561 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.505 -2.746 11.791 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.238 -1.738 12.528 1.00 0.00 H new ATOM 1511 N MET A 102 2.006 -2.881 9.245 1.00 0.00 N ATOM 1512 CA MET A 102 2.900 -2.807 8.095 1.00 0.00 C ATOM 1513 C MET A 102 3.780 -1.563 8.170 1.00 0.00 C ATOM 1514 O MET A 102 3.307 -0.475 8.501 1.00 0.00 O ATOM 1515 CB MET A 102 2.094 -2.798 6.795 1.00 0.00 C ATOM 1516 CG MET A 102 1.617 -4.177 6.366 1.00 0.00 C ATOM 1517 SD MET A 102 2.834 -5.052 5.363 1.00 0.00 S ATOM 1518 CE MET A 102 1.771 -6.131 4.408 1.00 0.00 C ATOM 0 H MET A 102 1.373 -2.087 9.340 1.00 0.00 H new ATOM 0 HA MET A 102 3.543 -3.687 8.109 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.230 -2.145 6.918 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.706 -2.371 6.001 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.388 -4.770 7.252 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.690 -4.077 5.801 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.220 -7.122 4.346 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.797 -6.203 4.892 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.648 -5.725 3.404 1.00 0.00 H new ATOM 1528 N LEU A 103 5.061 -1.731 7.861 1.00 0.00 N ATOM 1529 CA LEU A 103 6.008 -0.621 7.894 1.00 0.00 C ATOM 1530 C LEU A 103 6.591 -0.362 6.509 1.00 0.00 C ATOM 1531 O LEU A 103 6.913 -1.297 5.775 1.00 0.00 O ATOM 1532 CB LEU A 103 7.133 -0.914 8.887 1.00 0.00 C ATOM 1533 CG LEU A 103 7.809 0.306 9.515 1.00 0.00 C ATOM 1534 CD1 LEU A 103 8.409 -0.053 10.866 1.00 0.00 C ATOM 1535 CD2 LEU A 103 8.878 0.861 8.585 1.00 0.00 C ATOM 0 H LEU A 103 5.468 -2.625 7.585 1.00 0.00 H new ATOM 0 HA LEU A 103 5.472 0.272 8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.731 -1.534 9.688 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.895 -1.505 8.378 1.00 0.00 H new ATOM 0 HG LEU A 103 7.054 1.077 9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.886 0.827 11.298 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.621 -0.403 11.533 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.151 -0.841 10.737 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.348 1.728 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.632 0.096 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.421 1.157 7.641 1.00 0.00 H new ATOM 1547 N ILE A 104 6.726 0.912 6.158 1.00 0.00 N ATOM 1548 CA ILE A 104 7.274 1.294 4.862 1.00 0.00 C ATOM 1549 C ILE A 104 8.410 2.299 5.020 1.00 0.00 C ATOM 1550 O ILE A 104 8.276 3.295 5.731 1.00 0.00 O ATOM 1551 CB ILE A 104 6.191 1.898 3.949 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.021 0.925 3.795 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.779 2.248 2.590 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.051 0.958 4.955 1.00 0.00 C ATOM 0 H ILE A 104 6.463 1.698 6.753 1.00 0.00 H new ATOM 0 HA ILE A 104 7.659 0.384 4.401 1.00 0.00 H new ATOM 0 HB ILE A 104 5.819 2.813 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.484 1.158 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.412 -0.087 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.001 2.674 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.582 2.974 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.176 1.347 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.247 0.243 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.574 0.695 5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.631 1.959 5.050 1.00 0.00 H new ATOM 1566 N ARG A 105 9.526 2.032 4.351 1.00 0.00 N ATOM 1567 CA ARG A 105 10.686 2.914 4.416 1.00 0.00 C ATOM 1568 C ARG A 105 11.008 3.491 3.041 1.00 0.00 C ATOM 1569 O ARG A 105 10.823 2.829 2.019 1.00 0.00 O ATOM 1570 CB ARG A 105 11.898 2.158 4.961 1.00 0.00 C ATOM 1571 CG ARG A 105 12.362 1.022 4.063 1.00 0.00 C ATOM 1572 CD ARG A 105 13.861 0.795 4.181 1.00 0.00 C ATOM 1573 NE ARG A 105 14.617 1.638 3.259 1.00 0.00 N ATOM 1574 CZ ARG A 105 15.918 1.499 3.035 1.00 0.00 C ATOM 1575 NH1 ARG A 105 16.605 0.554 3.662 1.00 0.00 N ATOM 1576 NH2 ARG A 105 16.536 2.305 2.181 1.00 0.00 N ATOM 0 H ARG A 105 9.652 1.212 3.757 1.00 0.00 H new ATOM 0 HA ARG A 105 10.448 3.737 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.721 2.859 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.653 1.756 5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.832 0.107 4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.108 1.248 3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.179 1.000 5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.086 -0.253 3.981 1.00 0.00 H new ATOM 0 HE ARG A 105 14.118 2.374 2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 105 16.134 -0.069 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 105 17.605 0.450 3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 105 16.011 3.033 1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 105 17.536 2.197 2.010 1.00 0.00 H new ATOM 1590 N VAL A 106 11.490 4.729 3.022 1.00 0.00 N ATOM 1591 CA VAL A 106 11.839 5.396 1.773 1.00 0.00 C ATOM 1592 C VAL A 106 13.299 5.835 1.774 1.00 0.00 C ATOM 1593 O VAL A 106 13.935 5.916 2.825 1.00 0.00 O ATOM 1594 CB VAL A 106 10.944 6.624 1.523 1.00 0.00 C ATOM 1595 CG1 VAL A 106 9.533 6.191 1.157 1.00 0.00 C ATOM 1596 CG2 VAL A 106 10.933 7.531 2.744 1.00 0.00 C ATOM 0 H VAL A 106 11.648 5.291 3.858 1.00 0.00 H new ATOM 0 HA VAL A 106 11.681 4.673 0.973 1.00 0.00 H new ATOM 0 HB VAL A 106 11.354 7.187 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.915 7.072 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.562 5.585 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.109 5.605 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.296 8.394 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.548 6.981 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.947 7.869 2.955 1.00 0.00 H new ATOM 1606 N LYS A 107 13.826 6.120 0.587 1.00 0.00 N ATOM 1607 CA LYS A 107 15.211 6.554 0.449 1.00 0.00 C ATOM 1608 C LYS A 107 15.477 7.801 1.288 1.00 0.00 C ATOM 1609 O LYS A 107 16.309 7.786 2.195 1.00 0.00 O ATOM 1610 CB LYS A 107 15.534 6.836 -1.020 1.00 0.00 C ATOM 1611 CG LYS A 107 17.011 6.712 -1.352 1.00 0.00 C ATOM 1612 CD LYS A 107 17.368 7.490 -2.607 1.00 0.00 C ATOM 1613 CE LYS A 107 17.238 6.628 -3.853 1.00 0.00 C ATOM 1614 NZ LYS A 107 15.814 6.360 -4.197 1.00 0.00 N ATOM 0 H LYS A 107 13.314 6.058 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 107 15.855 5.752 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.970 6.145 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.197 7.842 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.605 7.078 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.267 5.661 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.716 8.359 -2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 107 18.389 7.864 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 107 17.726 7.125 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 107 17.758 5.683 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.737 6.143 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 15.469 5.550 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.240 7.199 -3.978 1.00 0.00 H new ATOM 1628 N THR A 108 14.763 8.879 0.979 1.00 0.00 N ATOM 1629 CA THR A 108 14.922 10.134 1.704 1.00 0.00 C ATOM 1630 C THR A 108 13.793 10.335 2.708 1.00 0.00 C ATOM 1631 O THR A 108 12.729 9.727 2.591 1.00 0.00 O ATOM 1632 CB THR A 108 14.959 11.337 0.743 1.00 0.00 C ATOM 1633 OG1 THR A 108 14.998 12.558 1.489 1.00 0.00 O ATOM 1634 CG2 THR A 108 13.745 11.335 -0.174 1.00 0.00 C ATOM 0 H THR A 108 14.069 8.908 0.232 1.00 0.00 H new ATOM 0 HA THR A 108 15.872 10.074 2.236 1.00 0.00 H new ATOM 0 HB THR A 108 15.857 11.257 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 108 15.338 13.279 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 108 13.793 12.194 -0.843 1.00 0.00 H new ATOM 0 HG22 THR A 108 13.734 10.417 -0.762 1.00 0.00 H new ATOM 0 HG23 THR A 108 12.836 11.393 0.425 1.00 0.00 H new ATOM 1642 N SER A 109 14.032 11.191 3.696 1.00 0.00 N ATOM 1643 CA SER A 109 13.036 11.470 4.724 1.00 0.00 C ATOM 1644 C SER A 109 11.831 12.195 4.130 1.00 0.00 C ATOM 1645 O SER A 109 10.685 11.828 4.387 1.00 0.00 O ATOM 1646 CB SER A 109 13.650 12.312 5.844 1.00 0.00 C ATOM 1647 OG SER A 109 12.753 12.443 6.934 1.00 0.00 O ATOM 0 H SER A 109 14.907 11.704 3.807 1.00 0.00 H new ATOM 0 HA SER A 109 12.700 10.519 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.576 11.850 6.185 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.909 13.299 5.461 1.00 0.00 H new ATOM 0 HG SER A 109 12.417 11.559 7.189 1.00 0.00 H new ATOM 1653 N GLU A 110 12.101 13.225 3.335 1.00 0.00 N ATOM 1654 CA GLU A 110 11.039 14.002 2.705 1.00 0.00 C ATOM 1655 C GLU A 110 10.014 13.085 2.044 1.00 0.00 C ATOM 1656 O GLU A 110 8.834 13.422 1.950 1.00 0.00 O ATOM 1657 CB GLU A 110 11.626 14.961 1.668 1.00 0.00 C ATOM 1658 CG GLU A 110 12.315 14.259 0.510 1.00 0.00 C ATOM 1659 CD GLU A 110 12.429 15.138 -0.721 1.00 0.00 C ATOM 1660 OE1 GLU A 110 11.496 15.119 -1.551 1.00 0.00 O ATOM 1661 OE2 GLU A 110 13.450 15.844 -0.854 1.00 0.00 O ATOM 0 H GLU A 110 13.045 13.541 3.112 1.00 0.00 H new ATOM 0 HA GLU A 110 10.537 14.580 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 110 10.828 15.592 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 110 12.341 15.620 2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 110 13.311 13.945 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 110 11.761 13.355 0.256 1.00 0.00 H new ATOM 1668 N ASP A 111 10.474 11.926 1.586 1.00 0.00 N ATOM 1669 CA ASP A 111 9.598 10.960 0.933 1.00 0.00 C ATOM 1670 C ASP A 111 8.638 10.331 1.939 1.00 0.00 C ATOM 1671 O ASP A 111 7.462 10.124 1.643 1.00 0.00 O ATOM 1672 CB ASP A 111 10.424 9.871 0.248 1.00 0.00 C ATOM 1673 CG ASP A 111 10.759 10.217 -1.189 1.00 0.00 C ATOM 1674 OD1 ASP A 111 9.972 10.952 -1.821 1.00 0.00 O ATOM 1675 OD2 ASP A 111 11.808 9.751 -1.683 1.00 0.00 O ATOM 0 H ASP A 111 11.448 11.632 1.655 1.00 0.00 H new ATOM 0 HA ASP A 111 9.013 11.488 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.347 9.714 0.806 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.873 8.931 0.273 1.00 0.00 H new ATOM 1680 N ALA A 112 9.150 10.027 3.127 1.00 0.00 N ATOM 1681 CA ALA A 112 8.339 9.422 4.176 1.00 0.00 C ATOM 1682 C ALA A 112 7.192 10.342 4.583 1.00 0.00 C ATOM 1683 O ALA A 112 6.025 9.956 4.529 1.00 0.00 O ATOM 1684 CB ALA A 112 9.202 9.086 5.383 1.00 0.00 C ATOM 0 H ALA A 112 10.123 10.190 3.387 1.00 0.00 H new ATOM 0 HA ALA A 112 7.909 8.501 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.583 8.635 6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.983 8.385 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.659 9.997 5.768 1.00 0.00 H new ATOM 1690 N ASP A 113 7.533 11.560 4.991 1.00 0.00 N ATOM 1691 CA ASP A 113 6.532 12.535 5.407 1.00 0.00 C ATOM 1692 C ASP A 113 5.534 12.802 4.284 1.00 0.00 C ATOM 1693 O ASP A 113 4.326 12.848 4.512 1.00 0.00 O ATOM 1694 CB ASP A 113 7.206 13.842 5.828 1.00 0.00 C ATOM 1695 CG ASP A 113 6.330 14.676 6.742 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.282 14.376 7.953 1.00 0.00 O ATOM 1697 OD2 ASP A 113 5.692 15.628 6.246 1.00 0.00 O ATOM 0 H ASP A 113 8.495 11.895 5.042 1.00 0.00 H new ATOM 0 HA ASP A 113 5.992 12.123 6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.144 13.617 6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.455 14.422 4.939 1.00 0.00 H new ATOM 1702 N GLU A 114 6.050 12.979 3.071 1.00 0.00 N ATOM 1703 CA GLU A 114 5.203 13.244 1.913 1.00 0.00 C ATOM 1704 C GLU A 114 4.304 12.049 1.612 1.00 0.00 C ATOM 1705 O GLU A 114 3.078 12.142 1.700 1.00 0.00 O ATOM 1706 CB GLU A 114 6.062 13.571 0.690 1.00 0.00 C ATOM 1707 CG GLU A 114 5.274 14.161 -0.467 1.00 0.00 C ATOM 1708 CD GLU A 114 4.524 15.421 -0.079 1.00 0.00 C ATOM 1709 OE1 GLU A 114 4.971 16.113 0.860 1.00 0.00 O ATOM 1710 OE2 GLU A 114 3.491 15.715 -0.716 1.00 0.00 O ATOM 0 H GLU A 114 7.048 12.944 2.865 1.00 0.00 H new ATOM 0 HA GLU A 114 4.572 14.102 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.843 14.273 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.560 12.662 0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.955 14.386 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.565 13.419 -0.835 1.00 0.00 H new ATOM 1717 N LEU A 115 4.920 10.927 1.257 1.00 0.00 N ATOM 1718 CA LEU A 115 4.176 9.712 0.942 1.00 0.00 C ATOM 1719 C LEU A 115 2.992 9.538 1.888 1.00 0.00 C ATOM 1720 O LEU A 115 1.900 9.154 1.468 1.00 0.00 O ATOM 1721 CB LEU A 115 5.094 8.492 1.027 1.00 0.00 C ATOM 1722 CG LEU A 115 4.409 7.155 1.313 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.426 6.811 0.204 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.443 6.049 1.473 1.00 0.00 C ATOM 0 H LEU A 115 5.933 10.833 1.180 1.00 0.00 H new ATOM 0 HA LEU A 115 3.795 9.802 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.637 8.405 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.834 8.673 1.807 1.00 0.00 H new ATOM 0 HG LEU A 115 3.855 7.245 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.948 5.856 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.667 7.590 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.958 6.740 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.937 5.105 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.025 5.959 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.108 6.290 2.302 1.00 0.00 H new ATOM 1736 N HIS A 116 3.214 9.826 3.167 1.00 0.00 N ATOM 1737 CA HIS A 116 2.165 9.704 4.172 1.00 0.00 C ATOM 1738 C HIS A 116 1.170 10.856 4.061 1.00 0.00 C ATOM 1739 O HIS A 116 -0.036 10.666 4.217 1.00 0.00 O ATOM 1740 CB HIS A 116 2.773 9.674 5.574 1.00 0.00 C ATOM 1741 CG HIS A 116 1.950 8.914 6.568 1.00 0.00 C ATOM 1742 ND1 HIS A 116 0.873 8.111 6.397 1.00 0.00 N flip ATOM 1743 CD2 HIS A 116 2.200 8.933 7.924 1.00 0.00 C flip ATOM 1744 CE1 HIS A 116 0.497 7.663 7.639 1.00 0.00 C flip ATOM 1745 NE2 HIS A 116 1.314 8.173 8.543 1.00 0.00 N flip ATOM 0 H HIS A 116 4.112 10.146 3.531 1.00 0.00 H new ATOM 0 HA HIS A 116 1.634 8.769 3.995 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.766 9.228 5.521 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.901 10.697 5.927 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.995 9.483 8.405 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -0.332 7.001 7.844 1.00 0.00 H new ATOM 0 HE2 HIS A 116 1.269 8.008 9.549 1.00 0.00 H new ATOM 1753 N LYS A 117 1.684 12.051 3.791 1.00 0.00 N ATOM 1754 CA LYS A 117 0.842 13.235 3.659 1.00 0.00 C ATOM 1755 C LYS A 117 -0.267 13.002 2.638 1.00 0.00 C ATOM 1756 O LYS A 117 -1.451 13.099 2.961 1.00 0.00 O ATOM 1757 CB LYS A 117 1.686 14.442 3.244 1.00 0.00 C ATOM 1758 CG LYS A 117 2.319 15.173 4.416 1.00 0.00 C ATOM 1759 CD LYS A 117 3.200 16.319 3.948 1.00 0.00 C ATOM 1760 CE LYS A 117 2.382 17.567 3.655 1.00 0.00 C ATOM 1761 NZ LYS A 117 3.220 18.658 3.084 1.00 0.00 N ATOM 0 H LYS A 117 2.680 12.226 3.659 1.00 0.00 H new ATOM 0 HA LYS A 117 0.384 13.435 4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.472 14.109 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.059 15.139 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.537 15.558 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.913 14.473 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.945 16.542 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.743 16.019 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.581 17.321 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.909 17.915 4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.626 19.491 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.969 18.911 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.651 18.335 2.194 1.00 0.00 H new ATOM 1775 N ILE A 118 0.124 12.693 1.406 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.838 12.444 0.340 1.00 0.00 C ATOM 1777 C ILE A 118 -1.893 11.433 0.776 1.00 0.00 C ATOM 1778 O ILE A 118 -3.080 11.752 0.853 1.00 0.00 O ATOM 1779 CB ILE A 118 -0.144 11.927 -0.935 1.00 0.00 C ATOM 1780 CG1 ILE A 118 0.780 13.003 -1.510 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -1.179 11.502 -1.966 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.192 12.938 -0.972 1.00 0.00 C ATOM 0 H ILE A 118 1.100 12.609 1.122 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.320 13.397 0.121 1.00 0.00 H new ATOM 0 HB ILE A 118 0.460 11.057 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.808 12.904 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 118 0.361 13.985 -1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.673 11.139 -2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.800 10.707 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.807 12.355 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.790 13.730 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.175 13.068 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.630 11.970 -1.215 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.452 10.213 1.063 1.00 0.00 N ATOM 1795 CA LEU A 119 -2.358 9.154 1.495 1.00 0.00 C ATOM 1796 C LEU A 119 -3.155 9.586 2.722 1.00 0.00 C ATOM 1797 O LEU A 119 -4.309 9.193 2.896 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.573 7.879 1.804 1.00 0.00 C ATOM 1799 CG LEU A 119 -1.067 7.734 3.240 1.00 0.00 C ATOM 1800 CD1 LEU A 119 -2.229 7.517 4.196 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -0.069 6.590 3.341 1.00 0.00 C ATOM 0 H LEU A 119 -0.473 9.933 1.004 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.057 8.954 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -2.206 7.022 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.716 7.832 1.132 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.560 8.657 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.850 7.416 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -2.907 8.369 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.765 6.610 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.280 6.502 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.550 5.660 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 119 0.779 6.788 2.686 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.532 10.398 3.569 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.183 10.885 4.780 1.00 0.00 C ATOM 1815 C LEU A 120 -4.286 11.883 4.441 1.00 0.00 C ATOM 1816 O LEU A 120 -5.252 12.033 5.189 1.00 0.00 O ATOM 1817 CB LEU A 120 -2.157 11.538 5.707 1.00 0.00 C ATOM 1818 CG LEU A 120 -1.353 10.586 6.594 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -0.161 11.306 7.206 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -2.237 9.995 7.681 1.00 0.00 C ATOM 0 H LEU A 120 -1.577 10.733 3.440 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.633 10.033 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.459 12.111 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.677 12.249 6.349 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.980 9.770 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.399 10.613 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.485 11.680 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.512 12.142 7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.648 9.320 8.302 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.640 10.798 8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.057 9.443 7.223 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.136 12.561 3.308 1.00 0.00 N ATOM 1833 CA GLU A 121 -5.121 13.543 2.870 1.00 0.00 C ATOM 1834 C GLU A 121 -6.235 12.877 2.068 1.00 0.00 C ATOM 1835 O GLU A 121 -7.402 13.256 2.170 1.00 0.00 O ATOM 1836 CB GLU A 121 -4.450 14.629 2.026 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.971 15.821 2.837 1.00 0.00 C ATOM 1838 CD GLU A 121 -5.083 16.808 3.137 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -5.772 17.232 2.186 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -5.264 17.156 4.323 1.00 0.00 O ATOM 0 H GLU A 121 -3.343 12.449 2.677 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.559 14.000 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.601 14.194 1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.153 14.975 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.541 15.469 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -3.176 16.330 2.293 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.867 11.880 1.270 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.833 11.159 0.450 1.00 0.00 C ATOM 1849 C LYS A 122 -7.694 10.237 1.309 1.00 0.00 C ATOM 1850 O LYS A 122 -8.911 10.172 1.140 1.00 0.00 O ATOM 1851 CB LYS A 122 -6.112 10.345 -0.626 1.00 0.00 C ATOM 1852 CG LYS A 122 -5.501 11.196 -1.726 1.00 0.00 C ATOM 1853 CD LYS A 122 -6.525 11.550 -2.791 1.00 0.00 C ATOM 1854 CE LYS A 122 -5.900 12.359 -3.917 1.00 0.00 C ATOM 1855 NZ LYS A 122 -5.886 13.817 -3.611 1.00 0.00 N ATOM 0 H LYS A 122 -4.906 11.553 1.174 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.482 11.890 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.326 9.754 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.816 9.642 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.092 12.110 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.670 10.659 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.961 10.637 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.338 12.119 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.880 12.014 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.455 12.187 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.452 14.334 -4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.861 14.152 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.335 13.985 -2.745 1.00 0.00 H new ATOM 1869 N LYS A 123 -7.053 9.526 2.231 1.00 0.00 N ATOM 1870 CA LYS A 123 -7.760 8.610 3.118 1.00 0.00 C ATOM 1871 C LYS A 123 -8.956 9.297 3.769 1.00 0.00 C ATOM 1872 O LYS A 123 -10.020 8.698 3.923 1.00 0.00 O ATOM 1873 CB LYS A 123 -6.813 8.081 4.197 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.458 9.112 5.255 1.00 0.00 C ATOM 1875 CD LYS A 123 -5.726 8.480 6.427 1.00 0.00 C ATOM 1876 CE LYS A 123 -5.584 9.455 7.586 1.00 0.00 C ATOM 1877 NZ LYS A 123 -6.770 9.423 8.486 1.00 0.00 N ATOM 0 H LYS A 123 -6.045 9.567 2.383 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.125 7.774 2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.273 7.220 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.897 7.729 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.835 9.889 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.367 9.597 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.266 7.594 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -4.739 8.149 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -4.688 9.212 8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -5.450 10.464 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -6.635 10.101 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.622 9.679 7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -6.883 8.466 8.877 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.774 10.557 4.148 1.00 0.00 N ATOM 1892 CA ASP A 124 -9.840 11.327 4.781 1.00 0.00 C ATOM 1893 C ASP A 124 -10.813 11.866 3.737 1.00 0.00 C ATOM 1894 O ASP A 124 -12.029 11.784 3.908 1.00 0.00 O ATOM 1895 CB ASP A 124 -9.251 12.482 5.592 1.00 0.00 C ATOM 1896 CG ASP A 124 -10.283 13.542 5.922 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -11.029 13.358 6.907 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -10.345 14.556 5.196 1.00 0.00 O ATOM 0 H ASP A 124 -7.899 11.067 4.028 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.386 10.664 5.452 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.825 12.093 6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.434 12.936 5.032 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.270 12.418 2.657 1.00 0.00 N ATOM 1904 CA ALA A 125 -11.090 12.969 1.586 1.00 0.00 C ATOM 1905 C ALA A 125 -10.906 12.183 0.293 1.00 0.00 C ATOM 1906 O ALA A 125 -9.848 12.243 -0.336 1.00 0.00 O ATOM 1907 CB ALA A 125 -10.755 14.437 1.367 1.00 0.00 C ATOM 0 H ALA A 125 -9.265 12.495 2.501 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.135 12.887 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -11.375 14.836 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -10.946 14.994 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.704 14.534 1.096 1.00 0.00 H new TER 1913 ALA A 125