USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 938 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 58 TYR OH : rot 180:sc= -0.466 USER MOD Set 1.2: A 74 TYR OH : rot 130:sc= 0 USER MOD Set 2.1: A 29 ASN : amide:sc= 0.332 K(o=-1.4,f=-2.8!) USER MOD Set 2.2: A 32 THR OG1 : rot -52:sc= -1.77! USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.195 USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= -0.234 (180deg=-1.26) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.91 F(o=-2.8!,f=-1.9) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.986 USER MOD Single : A 22 THR OG1 : rot 44:sc= 0.869 USER MOD Single : A 25 HIS : no HD1:sc= -2.65! C(o=-2.7!,f=-9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 145:sc= -2.94! (180deg=-5.62!) USER MOD Single : A 37 THR OG1 : rot 100:sc= 0.0707 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0392 (180deg=-0.219) USER MOD Single : A 48 SER OG : rot 47:sc= 0.912 USER MOD Single : A 56 CYS SG : rot 180:sc= -3.28! USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.143 (180deg=-0.642) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 44:sc= 0.378 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 67 MET CE :methyl -161:sc= -0.202 (180deg=-0.791) USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= -0.0745 (180deg=-0.585) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.0433 (180deg=-0.213) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -1.01 K(o=-1,f=-4.8!) USER MOD Single : A 87 THR OG1 : rot -168:sc= 1.04 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -100:sc= -2.82! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -7.5! C(o=-7.5!,f=-7.2!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.349 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 109 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.4) USER MOD Single : A 111 ASN :FLIP amide:sc= -1.36 F(o=-4.6!,f=-1.4) USER MOD Single : A 113 LYS NZ :NH3+ 175:sc= -0.231 (180deg=-0.291) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -6.515 -14.623 28.120 1.00 0.00 N ATOM 2 CA GLY A -2 -5.788 -15.825 27.626 1.00 0.00 C ATOM 3 C GLY A -2 -4.373 -15.508 27.186 1.00 0.00 C ATOM 4 O GLY A -2 -3.417 -15.762 27.920 1.00 0.00 O ATOM 0 H1 GLY A -2 -7.477 -14.893 28.408 1.00 0.00 H new ATOM 0 H2 GLY A -2 -6.009 -14.222 28.935 1.00 0.00 H new ATOM 0 H3 GLY A -2 -6.568 -13.913 27.362 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -5.760 -16.578 28.414 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -6.336 -16.259 26.790 1.00 0.00 H new ATOM 10 N SER A -1 -4.238 -14.952 25.986 1.00 0.00 N ATOM 11 CA SER A -1 -2.930 -14.598 25.449 1.00 0.00 C ATOM 12 C SER A -1 -2.972 -13.233 24.771 1.00 0.00 C ATOM 13 O SER A -1 -2.028 -12.449 24.872 1.00 0.00 O ATOM 14 CB SER A -1 -2.460 -15.660 24.453 1.00 0.00 C ATOM 15 OG SER A -1 -2.354 -16.930 25.074 1.00 0.00 O ATOM 0 H SER A -1 -5.020 -14.737 25.367 1.00 0.00 H new ATOM 0 HA SER A -1 -2.225 -14.550 26.279 1.00 0.00 H new ATOM 0 HB2 SER A -1 -3.160 -15.717 23.619 1.00 0.00 H new ATOM 0 HB3 SER A -1 -1.494 -15.372 24.039 1.00 0.00 H new ATOM 0 HG SER A -1 -2.054 -17.592 24.416 1.00 0.00 H new ATOM 21 N HIS A 0 -4.073 -12.955 24.080 1.00 0.00 N ATOM 22 CA HIS A 0 -4.241 -11.683 23.385 1.00 0.00 C ATOM 23 C HIS A 0 -4.938 -10.664 24.279 1.00 0.00 C ATOM 24 O HIS A 0 -5.752 -11.025 25.131 1.00 0.00 O ATOM 25 CB HIS A 0 -5.044 -11.883 22.099 1.00 0.00 C ATOM 26 CG HIS A 0 -4.407 -12.839 21.139 1.00 0.00 C ATOM 27 ND1 HIS A 0 -4.811 -14.151 21.003 1.00 0.00 N ATOM 28 CD2 HIS A 0 -3.391 -12.668 20.261 1.00 0.00 C ATOM 29 CE1 HIS A 0 -4.069 -14.745 20.084 1.00 0.00 C ATOM 30 NE2 HIS A 0 -3.201 -13.867 19.619 1.00 0.00 N ATOM 0 H HIS A 0 -4.863 -13.594 23.986 1.00 0.00 H new ATOM 0 HA HIS A 0 -3.252 -11.302 23.132 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -6.039 -12.246 22.355 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -5.173 -10.919 21.607 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -2.833 -11.758 20.096 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -4.158 -15.774 19.768 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -2.502 -14.049 18.899 1.00 0.00 H new ATOM 39 N MET A 1 -4.614 -9.390 24.082 1.00 0.00 N ATOM 40 CA MET A 1 -5.210 -8.318 24.872 1.00 0.00 C ATOM 41 C MET A 1 -6.562 -7.911 24.298 1.00 0.00 C ATOM 42 O MET A 1 -7.079 -8.551 23.382 1.00 0.00 O ATOM 43 CB MET A 1 -4.278 -7.106 24.914 1.00 0.00 C ATOM 44 CG MET A 1 -2.867 -7.438 25.374 1.00 0.00 C ATOM 45 SD MET A 1 -1.787 -5.995 25.398 1.00 0.00 S ATOM 46 CE MET A 1 -0.249 -6.732 25.947 1.00 0.00 C ATOM 0 H MET A 1 -3.942 -9.075 23.382 1.00 0.00 H new ATOM 0 HA MET A 1 -5.359 -8.688 25.886 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.232 -6.659 23.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.702 -6.356 25.581 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.908 -7.873 26.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.442 -8.194 24.714 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.520 -5.963 26.012 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.392 -7.185 26.928 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.062 -7.497 25.236 1.00 0.00 H new ATOM 56 N ILE A 2 -7.130 -6.840 24.844 1.00 0.00 N ATOM 57 CA ILE A 2 -8.423 -6.343 24.389 1.00 0.00 C ATOM 58 C ILE A 2 -8.469 -4.820 24.443 1.00 0.00 C ATOM 59 O ILE A 2 -9.262 -4.186 23.746 1.00 0.00 O ATOM 60 CB ILE A 2 -9.576 -6.919 25.236 1.00 0.00 C ATOM 61 CG1 ILE A 2 -10.930 -6.446 24.700 1.00 0.00 C ATOM 62 CG2 ILE A 2 -9.411 -6.523 26.697 1.00 0.00 C ATOM 63 CD1 ILE A 2 -11.247 -6.958 23.312 1.00 0.00 C ATOM 0 H ILE A 2 -6.714 -6.300 25.603 1.00 0.00 H new ATOM 0 HA ILE A 2 -8.548 -6.671 23.357 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.543 -8.006 25.167 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -11.715 -6.768 25.385 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -10.945 -5.356 24.688 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.233 -6.937 27.281 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.465 -6.911 27.075 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.417 -5.436 26.782 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -12.221 -6.582 22.999 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.484 -6.614 22.614 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.265 -8.048 23.321 1.00 0.00 H new ATOM 75 N ALA A 3 -7.607 -4.237 25.272 1.00 0.00 N ATOM 76 CA ALA A 3 -7.550 -2.788 25.423 1.00 0.00 C ATOM 77 C ALA A 3 -6.897 -2.131 24.208 1.00 0.00 C ATOM 78 O ALA A 3 -5.697 -2.292 23.981 1.00 0.00 O ATOM 79 CB ALA A 3 -6.792 -2.423 26.691 1.00 0.00 C ATOM 0 H ALA A 3 -6.939 -4.747 25.849 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.571 -2.415 25.499 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.756 -1.338 26.794 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.300 -2.852 27.555 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.777 -2.816 26.634 1.00 0.00 H new ATOM 85 N PRO A 4 -7.676 -1.380 23.404 1.00 0.00 N ATOM 86 CA PRO A 4 -7.155 -0.704 22.214 1.00 0.00 C ATOM 87 C PRO A 4 -6.395 0.572 22.558 1.00 0.00 C ATOM 88 O PRO A 4 -6.331 0.973 23.720 1.00 0.00 O ATOM 89 CB PRO A 4 -8.420 -0.378 21.423 1.00 0.00 C ATOM 90 CG PRO A 4 -9.471 -0.192 22.463 1.00 0.00 C ATOM 91 CD PRO A 4 -9.121 -1.131 23.590 1.00 0.00 C ATOM 0 HA PRO A 4 -6.438 -1.319 21.670 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -8.292 0.523 20.822 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.678 -1.185 20.737 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.496 0.841 22.811 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.459 -0.417 22.062 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.328 -0.684 24.562 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.697 -2.055 23.535 1.00 0.00 H new ATOM 99 N LEU A 5 -5.822 1.207 21.539 1.00 0.00 N ATOM 100 CA LEU A 5 -5.068 2.440 21.734 1.00 0.00 C ATOM 101 C LEU A 5 -5.058 3.278 20.460 1.00 0.00 C ATOM 102 O LEU A 5 -5.692 4.332 20.394 1.00 0.00 O ATOM 103 CB LEU A 5 -3.632 2.122 22.161 1.00 0.00 C ATOM 104 CG LEU A 5 -2.752 3.344 22.445 1.00 0.00 C ATOM 105 CD1 LEU A 5 -3.287 4.123 23.638 1.00 0.00 C ATOM 106 CD2 LEU A 5 -1.312 2.918 22.684 1.00 0.00 C ATOM 0 H LEU A 5 -5.866 0.888 20.571 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.555 3.015 22.522 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.665 1.501 23.056 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.160 1.528 21.379 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.777 3.997 21.573 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.649 4.987 23.824 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.302 4.460 23.427 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.294 3.481 24.519 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.701 3.798 22.884 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.269 2.244 23.540 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.932 2.406 21.800 1.00 0.00 H new ATOM 118 N SER A 6 -4.337 2.803 19.449 1.00 0.00 N ATOM 119 CA SER A 6 -4.244 3.508 18.176 1.00 0.00 C ATOM 120 C SER A 6 -3.664 2.602 17.094 1.00 0.00 C ATOM 121 O SER A 6 -4.295 2.367 16.064 1.00 0.00 O ATOM 122 CB SER A 6 -3.380 4.762 18.324 1.00 0.00 C ATOM 123 OG SER A 6 -2.073 4.434 18.761 1.00 0.00 O ATOM 0 H SER A 6 -3.808 1.932 19.487 1.00 0.00 H new ATOM 0 HA SER A 6 -5.250 3.802 17.878 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.327 5.285 17.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.844 5.445 19.036 1.00 0.00 H new ATOM 0 HG SER A 6 -1.541 5.253 18.846 1.00 0.00 H new ATOM 129 N VAL A 7 -2.459 2.097 17.337 1.00 0.00 N ATOM 130 CA VAL A 7 -1.791 1.217 16.387 1.00 0.00 C ATOM 131 C VAL A 7 -1.969 -0.247 16.782 1.00 0.00 C ATOM 132 O VAL A 7 -2.100 -0.568 17.963 1.00 0.00 O ATOM 133 CB VAL A 7 -0.286 1.539 16.290 1.00 0.00 C ATOM 134 CG1 VAL A 7 0.388 1.364 17.642 1.00 0.00 C ATOM 135 CG2 VAL A 7 0.386 0.672 15.234 1.00 0.00 C ATOM 0 H VAL A 7 -1.925 2.283 18.186 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.251 1.385 15.413 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.179 2.581 15.989 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.449 1.596 17.552 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.070 2.037 18.367 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.269 0.334 17.977 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.447 0.917 15.183 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.268 -0.379 15.497 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.076 0.857 14.264 1.00 0.00 H new ATOM 145 N LYS A 8 -1.968 -1.130 15.787 1.00 0.00 N ATOM 146 CA LYS A 8 -2.127 -2.555 16.026 1.00 0.00 C ATOM 147 C LYS A 8 -1.088 -3.333 15.237 1.00 0.00 C ATOM 148 O LYS A 8 -1.143 -3.392 14.009 1.00 0.00 O ATOM 149 CB LYS A 8 -3.526 -3.019 15.625 1.00 0.00 C ATOM 150 CG LYS A 8 -4.642 -2.102 16.101 1.00 0.00 C ATOM 151 CD LYS A 8 -4.809 -2.161 17.611 1.00 0.00 C ATOM 152 CE LYS A 8 -5.910 -1.227 18.086 1.00 0.00 C ATOM 153 NZ LYS A 8 -7.225 -1.562 17.474 1.00 0.00 N ATOM 0 H LYS A 8 -1.858 -0.879 14.805 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.989 -2.740 17.091 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.574 -3.099 14.539 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.695 -4.018 16.026 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.426 -1.077 15.798 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.578 -2.386 15.619 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.041 -3.182 17.913 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.869 -1.892 18.093 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.990 -1.283 19.172 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.646 -0.199 17.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.991 -1.243 18.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.310 -1.087 16.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.294 -2.591 17.340 1.00 0.00 H new ATOM 167 N ASP A 9 -0.145 -3.923 15.949 1.00 0.00 N ATOM 168 CA ASP A 9 0.912 -4.689 15.319 1.00 0.00 C ATOM 169 C ASP A 9 0.330 -5.845 14.514 1.00 0.00 C ATOM 170 O ASP A 9 -0.449 -6.644 15.034 1.00 0.00 O ATOM 171 CB ASP A 9 1.874 -5.215 16.381 1.00 0.00 C ATOM 172 CG ASP A 9 2.494 -4.103 17.203 1.00 0.00 C ATOM 173 OD1 ASP A 9 3.563 -3.595 16.805 1.00 0.00 O ATOM 174 OD2 ASP A 9 1.910 -3.737 18.246 1.00 0.00 O ATOM 0 H ASP A 9 -0.091 -3.885 16.967 1.00 0.00 H new ATOM 0 HA ASP A 9 1.457 -4.037 14.636 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.342 -5.898 17.043 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.664 -5.790 15.898 1.00 0.00 H new ATOM 179 N ASN A 10 0.713 -5.929 13.245 1.00 0.00 N ATOM 180 CA ASN A 10 0.215 -6.983 12.371 1.00 0.00 C ATOM 181 C ASN A 10 1.342 -7.901 11.916 1.00 0.00 C ATOM 182 O ASN A 10 1.097 -9.006 11.431 1.00 0.00 O ATOM 183 CB ASN A 10 -0.486 -6.375 11.157 1.00 0.00 C ATOM 184 CG ASN A 10 -1.740 -7.137 10.768 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.427 -7.697 11.758 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -2.090 -7.217 9.591 1.00 0.00 N flip ATOM 0 H ASN A 10 1.364 -5.282 12.800 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.501 -7.579 12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.747 -5.339 11.373 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.203 -6.361 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.533 -6.772 8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.937 -7.729 9.345 1.00 0.00 H new ATOM 193 N ASP A 11 2.574 -7.438 12.075 1.00 0.00 N ATOM 194 CA ASP A 11 3.734 -8.225 11.679 1.00 0.00 C ATOM 195 C ASP A 11 4.939 -7.910 12.565 1.00 0.00 C ATOM 196 O ASP A 11 4.798 -7.735 13.776 1.00 0.00 O ATOM 197 CB ASP A 11 4.069 -7.965 10.208 1.00 0.00 C ATOM 198 CG ASP A 11 4.666 -9.180 9.527 1.00 0.00 C ATOM 199 OD1 ASP A 11 5.874 -9.434 9.714 1.00 0.00 O ATOM 200 OD2 ASP A 11 3.923 -9.881 8.807 1.00 0.00 O ATOM 0 H ASP A 11 2.796 -6.526 12.474 1.00 0.00 H new ATOM 0 HA ASP A 11 3.491 -9.280 11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.164 -7.664 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.770 -7.133 10.140 1.00 0.00 H new ATOM 205 N LYS A 12 6.121 -7.840 11.958 1.00 0.00 N ATOM 206 CA LYS A 12 7.345 -7.566 12.694 1.00 0.00 C ATOM 207 C LYS A 12 8.179 -6.490 12.008 1.00 0.00 C ATOM 208 O LYS A 12 7.747 -5.889 11.025 1.00 0.00 O ATOM 209 CB LYS A 12 8.164 -8.849 12.806 1.00 0.00 C ATOM 210 CG LYS A 12 8.748 -9.314 11.480 1.00 0.00 C ATOM 211 CD LYS A 12 9.464 -10.647 11.615 1.00 0.00 C ATOM 212 CE LYS A 12 10.683 -10.543 12.520 1.00 0.00 C ATOM 213 NZ LYS A 12 11.393 -11.845 12.649 1.00 0.00 N ATOM 0 H LYS A 12 6.254 -7.970 10.955 1.00 0.00 H new ATOM 0 HA LYS A 12 7.073 -7.203 13.685 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.976 -8.692 13.516 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.533 -9.639 13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.950 -9.403 10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.445 -8.563 11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.776 -11.391 12.016 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.771 -10.996 10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.368 -9.794 12.122 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.374 -10.199 13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.217 -11.731 13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.748 -12.554 13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.711 -12.161 11.711 1.00 0.00 H new ATOM 227 N TRP A 13 9.377 -6.263 12.543 1.00 0.00 N ATOM 228 CA TRP A 13 10.310 -5.285 12.008 1.00 0.00 C ATOM 229 C TRP A 13 11.725 -5.876 11.984 1.00 0.00 C ATOM 230 O TRP A 13 12.274 -6.201 13.036 1.00 0.00 O ATOM 231 CB TRP A 13 10.264 -4.021 12.870 1.00 0.00 C ATOM 232 CG TRP A 13 8.913 -3.368 12.868 1.00 0.00 C ATOM 233 CD1 TRP A 13 8.093 -3.223 11.791 1.00 0.00 C ATOM 234 CD2 TRP A 13 8.218 -2.781 13.980 1.00 0.00 C ATOM 235 NE1 TRP A 13 6.934 -2.586 12.156 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.985 -2.303 13.492 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.515 -2.613 15.335 1.00 0.00 C ATOM 238 CZ2 TRP A 13 6.050 -1.671 14.310 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.588 -1.985 16.147 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.369 -1.521 15.632 1.00 0.00 C ATOM 0 H TRP A 13 9.726 -6.757 13.364 1.00 0.00 H new ATOM 0 HA TRP A 13 10.030 -5.026 10.987 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.539 -4.274 13.894 1.00 0.00 H new ATOM 0 HB3 TRP A 13 11.007 -3.311 12.507 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.322 -3.561 10.791 1.00 0.00 H new ATOM 0 HE1 TRP A 13 6.160 -2.360 11.531 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.451 -2.967 15.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.110 -1.314 13.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.807 -1.850 17.196 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.667 -1.035 16.293 1.00 0.00 H new ATOM 251 N VAL A 14 12.323 -6.018 10.790 1.00 0.00 N ATOM 252 CA VAL A 14 13.662 -6.602 10.694 1.00 0.00 C ATOM 253 C VAL A 14 14.363 -6.211 9.409 1.00 0.00 C ATOM 254 O VAL A 14 13.735 -5.846 8.421 1.00 0.00 O ATOM 255 CB VAL A 14 13.615 -8.140 10.820 1.00 0.00 C ATOM 256 CG1 VAL A 14 12.566 -8.729 9.890 1.00 0.00 C ATOM 257 CG2 VAL A 14 14.977 -8.765 10.558 1.00 0.00 C ATOM 0 H VAL A 14 11.909 -5.742 9.899 1.00 0.00 H new ATOM 0 HA VAL A 14 14.236 -6.198 11.528 1.00 0.00 H new ATOM 0 HB VAL A 14 13.335 -8.375 11.847 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.552 -9.814 9.997 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.586 -8.327 10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.807 -8.469 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 14 14.905 -9.848 10.656 1.00 0.00 H new ATOM 0 HG22 VAL A 14 15.305 -8.512 9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 14 15.698 -8.383 11.281 1.00 0.00 H new ATOM 267 N ASP A 15 15.680 -6.314 9.446 1.00 0.00 N ATOM 268 CA ASP A 15 16.535 -5.954 8.323 1.00 0.00 C ATOM 269 C ASP A 15 16.019 -6.484 6.990 1.00 0.00 C ATOM 270 O ASP A 15 15.153 -7.359 6.938 1.00 0.00 O ATOM 271 CB ASP A 15 17.947 -6.463 8.572 1.00 0.00 C ATOM 272 CG ASP A 15 18.056 -7.969 8.432 1.00 0.00 C ATOM 273 OD1 ASP A 15 18.288 -8.445 7.300 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.910 -8.672 9.453 1.00 0.00 O ATOM 0 H ASP A 15 16.192 -6.652 10.261 1.00 0.00 H new ATOM 0 HA ASP A 15 16.532 -4.866 8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 15 18.631 -5.986 7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 15 18.264 -6.171 9.573 1.00 0.00 H new ATOM 279 N THR A 16 16.583 -5.946 5.913 1.00 0.00 N ATOM 280 CA THR A 16 16.201 -6.331 4.559 1.00 0.00 C ATOM 281 C THR A 16 17.131 -5.679 3.538 1.00 0.00 C ATOM 282 O THR A 16 18.174 -5.136 3.902 1.00 0.00 O ATOM 283 CB THR A 16 14.741 -5.936 4.257 1.00 0.00 C ATOM 284 OG1 THR A 16 14.238 -6.712 3.162 1.00 0.00 O ATOM 285 CG2 THR A 16 14.620 -4.456 3.924 1.00 0.00 C ATOM 0 H THR A 16 17.313 -5.235 5.954 1.00 0.00 H new ATOM 0 HA THR A 16 16.288 -7.415 4.486 1.00 0.00 H new ATOM 0 HB THR A 16 14.153 -6.135 5.153 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.310 -6.456 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.578 -4.214 3.717 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.969 -3.863 4.769 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.226 -4.230 3.047 1.00 0.00 H new ATOM 293 N HIS A 17 16.756 -5.733 2.263 1.00 0.00 N ATOM 294 CA HIS A 17 17.573 -5.139 1.212 1.00 0.00 C ATOM 295 C HIS A 17 16.875 -3.931 0.596 1.00 0.00 C ATOM 296 O HIS A 17 15.755 -3.590 0.972 1.00 0.00 O ATOM 297 CB HIS A 17 17.893 -6.173 0.134 1.00 0.00 C ATOM 298 CG HIS A 17 18.867 -7.220 0.578 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.487 -8.489 0.958 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.215 -7.181 0.698 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.558 -9.186 1.294 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.619 -8.415 1.144 1.00 0.00 N ATOM 0 H HIS A 17 15.899 -6.178 1.935 1.00 0.00 H new ATOM 0 HA HIS A 17 18.507 -4.801 1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.968 -6.658 -0.178 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.296 -5.661 -0.740 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.853 -6.337 0.483 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.564 -10.211 1.633 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.583 -8.691 1.329 1.00 0.00 H new ATOM 311 N VAL A 18 17.538 -3.301 -0.367 1.00 0.00 N ATOM 312 CA VAL A 18 16.997 -2.112 -1.019 1.00 0.00 C ATOM 313 C VAL A 18 16.238 -2.451 -2.297 1.00 0.00 C ATOM 314 O VAL A 18 16.571 -3.402 -3.003 1.00 0.00 O ATOM 315 CB VAL A 18 18.113 -1.106 -1.351 1.00 0.00 C ATOM 316 CG1 VAL A 18 17.519 0.219 -1.794 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.030 -0.919 -0.153 1.00 0.00 C ATOM 0 H VAL A 18 18.451 -3.593 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 18 16.300 -1.665 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 18 18.707 -1.502 -2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.322 0.919 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 18 16.906 0.064 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 18 16.902 0.627 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 18 19.814 -0.205 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.453 -0.543 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.481 -1.875 0.113 1.00 0.00 H new ATOM 327 N GLY A 19 15.213 -1.648 -2.581 1.00 0.00 N ATOM 328 CA GLY A 19 14.400 -1.846 -3.766 1.00 0.00 C ATOM 329 C GLY A 19 13.895 -3.264 -3.901 1.00 0.00 C ATOM 330 O GLY A 19 13.552 -3.705 -4.999 1.00 0.00 O ATOM 0 H GLY A 19 14.931 -0.856 -2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.550 -1.164 -3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.985 -1.588 -4.649 1.00 0.00 H new ATOM 334 N LYS A 20 13.856 -3.984 -2.787 1.00 0.00 N ATOM 335 CA LYS A 20 13.377 -5.355 -2.789 1.00 0.00 C ATOM 336 C LYS A 20 11.860 -5.367 -2.905 1.00 0.00 C ATOM 337 O LYS A 20 11.149 -5.627 -1.934 1.00 0.00 O ATOM 338 CB LYS A 20 13.837 -6.080 -1.522 1.00 0.00 C ATOM 339 CG LYS A 20 14.440 -7.441 -1.791 1.00 0.00 C ATOM 340 CD LYS A 20 15.838 -7.290 -2.344 1.00 0.00 C ATOM 341 CE LYS A 20 16.640 -8.574 -2.212 1.00 0.00 C ATOM 342 NZ LYS A 20 18.019 -8.427 -2.753 1.00 0.00 N ATOM 0 H LYS A 20 14.150 -3.640 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 20 13.795 -5.882 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.571 -5.462 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.987 -6.194 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.466 -8.024 -0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.818 -7.989 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.784 -7.002 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.352 -6.485 -1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.691 -8.863 -1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.127 -9.378 -2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.532 -9.325 -2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.971 -8.176 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.518 -7.677 -2.233 1.00 0.00 H new ATOM 356 N THR A 21 11.382 -5.059 -4.109 1.00 0.00 N ATOM 357 CA THR A 21 9.953 -5.002 -4.396 1.00 0.00 C ATOM 358 C THR A 21 9.194 -6.133 -3.716 1.00 0.00 C ATOM 359 O THR A 21 9.223 -7.277 -4.169 1.00 0.00 O ATOM 360 CB THR A 21 9.686 -5.061 -5.909 1.00 0.00 C ATOM 361 OG1 THR A 21 10.547 -4.145 -6.597 1.00 0.00 O ATOM 362 CG2 THR A 21 8.235 -4.721 -6.214 1.00 0.00 C ATOM 0 H THR A 21 11.974 -4.843 -4.911 1.00 0.00 H new ATOM 0 HA THR A 21 9.596 -4.051 -4.001 1.00 0.00 H new ATOM 0 HB THR A 21 9.888 -6.076 -6.251 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.371 -4.191 -7.560 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.069 -4.769 -7.290 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.581 -5.435 -5.714 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.014 -3.715 -5.857 1.00 0.00 H new ATOM 370 N THR A 22 8.519 -5.800 -2.624 1.00 0.00 N ATOM 371 CA THR A 22 7.742 -6.779 -1.879 1.00 0.00 C ATOM 372 C THR A 22 6.257 -6.598 -2.142 1.00 0.00 C ATOM 373 O THR A 22 5.630 -5.670 -1.628 1.00 0.00 O ATOM 374 CB THR A 22 8.009 -6.678 -0.365 1.00 0.00 C ATOM 375 OG1 THR A 22 9.401 -6.885 -0.099 1.00 0.00 O ATOM 376 CG2 THR A 22 7.185 -7.702 0.403 1.00 0.00 C ATOM 0 H THR A 22 8.494 -4.858 -2.235 1.00 0.00 H new ATOM 0 HA THR A 22 8.053 -7.766 -2.221 1.00 0.00 H new ATOM 0 HB THR A 22 7.718 -5.681 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.936 -6.382 -0.748 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.392 -7.610 1.469 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.125 -7.525 0.222 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.448 -8.705 0.068 1.00 0.00 H new ATOM 384 N GLU A 23 5.706 -7.486 -2.963 1.00 0.00 N ATOM 385 CA GLU A 23 4.302 -7.446 -3.310 1.00 0.00 C ATOM 386 C GLU A 23 3.458 -8.113 -2.240 1.00 0.00 C ATOM 387 O GLU A 23 3.642 -9.288 -1.925 1.00 0.00 O ATOM 388 CB GLU A 23 4.083 -8.143 -4.645 1.00 0.00 C ATOM 389 CG GLU A 23 2.711 -7.887 -5.237 1.00 0.00 C ATOM 390 CD GLU A 23 2.607 -8.346 -6.679 1.00 0.00 C ATOM 391 OE1 GLU A 23 2.841 -9.546 -6.938 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.294 -7.507 -7.549 1.00 0.00 O ATOM 0 H GLU A 23 6.223 -8.248 -3.402 1.00 0.00 H new ATOM 0 HA GLU A 23 3.997 -6.402 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.844 -7.809 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.220 -9.216 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.959 -8.402 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.487 -6.822 -5.181 1.00 0.00 H new ATOM 399 N ILE A 24 2.531 -7.351 -1.689 1.00 0.00 N ATOM 400 CA ILE A 24 1.647 -7.855 -0.659 1.00 0.00 C ATOM 401 C ILE A 24 0.202 -7.607 -1.025 1.00 0.00 C ATOM 402 O ILE A 24 -0.312 -6.503 -0.863 1.00 0.00 O ATOM 403 CB ILE A 24 1.934 -7.194 0.694 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.410 -7.351 1.052 1.00 0.00 C ATOM 405 CG2 ILE A 24 1.046 -7.791 1.777 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.802 -6.669 2.345 1.00 0.00 C ATOM 0 H ILE A 24 2.372 -6.375 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 24 1.827 -8.927 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 24 1.709 -6.130 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.645 -8.413 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.016 -6.947 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.263 -7.310 2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.001 -7.630 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.239 -8.861 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.865 -6.825 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.600 -5.601 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.224 -7.089 3.168 1.00 0.00 H new ATOM 418 N HIS A 25 -0.433 -8.639 -1.544 1.00 0.00 N ATOM 419 CA HIS A 25 -1.829 -8.563 -1.917 1.00 0.00 C ATOM 420 C HIS A 25 -2.696 -8.927 -0.724 1.00 0.00 C ATOM 421 O HIS A 25 -2.743 -10.086 -0.309 1.00 0.00 O ATOM 422 CB HIS A 25 -2.128 -9.514 -3.064 1.00 0.00 C ATOM 423 CG HIS A 25 -0.929 -9.939 -3.848 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.162 -11.036 -3.517 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.377 -9.418 -4.967 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.809 -11.172 -4.401 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.702 -10.205 -5.293 1.00 0.00 N ATOM 0 H HIS A 25 0.001 -9.546 -1.717 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.048 -7.544 -2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.618 -10.402 -2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.837 -9.036 -3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.720 -8.546 -5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.564 -11.944 -4.395 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.319 -10.065 -6.093 1.00 0.00 H new ATOM 436 N LEU A 26 -3.380 -7.939 -0.176 1.00 0.00 N ATOM 437 CA LEU A 26 -4.238 -8.164 0.978 1.00 0.00 C ATOM 438 C LEU A 26 -5.655 -8.498 0.532 1.00 0.00 C ATOM 439 O LEU A 26 -6.003 -8.334 -0.638 1.00 0.00 O ATOM 440 CB LEU A 26 -4.263 -6.928 1.884 1.00 0.00 C ATOM 441 CG LEU A 26 -2.919 -6.516 2.503 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.203 -7.712 3.115 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.034 -5.839 1.471 1.00 0.00 C ATOM 0 H LEU A 26 -3.360 -6.975 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.832 -9.006 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.647 -6.087 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.972 -7.109 2.692 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.128 -5.803 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.255 -7.388 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.826 -8.148 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.015 -8.458 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.088 -5.556 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.845 -6.527 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.534 -4.947 1.092 1.00 0.00 H new ATOM 455 N LYS A 27 -6.467 -8.972 1.467 1.00 0.00 N ATOM 456 CA LYS A 27 -7.851 -9.311 1.169 1.00 0.00 C ATOM 457 C LYS A 27 -8.783 -8.279 1.786 1.00 0.00 C ATOM 458 O LYS A 27 -8.364 -7.467 2.612 1.00 0.00 O ATOM 459 CB LYS A 27 -8.195 -10.704 1.692 1.00 0.00 C ATOM 460 CG LYS A 27 -7.213 -11.779 1.252 1.00 0.00 C ATOM 461 CD LYS A 27 -7.525 -13.122 1.893 1.00 0.00 C ATOM 462 CE LYS A 27 -8.859 -13.676 1.414 1.00 0.00 C ATOM 463 NZ LYS A 27 -9.168 -14.995 2.033 1.00 0.00 N ATOM 0 H LYS A 27 -6.192 -9.130 2.436 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.979 -9.310 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.227 -10.676 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.194 -10.975 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.244 -11.878 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.200 -11.476 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.731 -13.831 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.544 -13.012 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.653 -12.968 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.840 -13.780 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.085 -15.338 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.424 -15.678 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.211 -14.892 3.067 1.00 0.00 H new ATOM 477 N GLY A 28 -10.046 -8.316 1.388 1.00 0.00 N ATOM 478 CA GLY A 28 -11.008 -7.365 1.911 1.00 0.00 C ATOM 479 C GLY A 28 -12.205 -7.187 0.999 1.00 0.00 C ATOM 480 O GLY A 28 -12.606 -8.118 0.301 1.00 0.00 O ATOM 0 H GLY A 28 -10.422 -8.984 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.349 -7.700 2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.519 -6.401 2.056 1.00 0.00 H new ATOM 484 N ASN A 29 -12.775 -5.985 1.005 1.00 0.00 N ATOM 485 CA ASN A 29 -13.935 -5.681 0.174 1.00 0.00 C ATOM 486 C ASN A 29 -14.259 -4.186 0.216 1.00 0.00 C ATOM 487 O ASN A 29 -14.602 -3.654 1.271 1.00 0.00 O ATOM 488 CB ASN A 29 -15.146 -6.488 0.643 1.00 0.00 C ATOM 489 CG ASN A 29 -16.370 -6.249 -0.222 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.255 -5.931 -1.405 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.551 -6.405 0.366 1.00 0.00 N ATOM 0 H ASN A 29 -12.451 -5.205 1.577 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.698 -5.955 -0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.898 -7.549 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.377 -6.225 1.675 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.409 -6.260 -0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.600 -6.670 1.350 1.00 0.00 H new ATOM 498 N PRO A 30 -14.151 -3.485 -0.930 1.00 0.00 N ATOM 499 CA PRO A 30 -14.441 -2.047 -1.003 1.00 0.00 C ATOM 500 C PRO A 30 -15.859 -1.716 -0.548 1.00 0.00 C ATOM 501 O PRO A 30 -16.070 -0.787 0.232 1.00 0.00 O ATOM 502 CB PRO A 30 -14.271 -1.720 -2.490 1.00 0.00 C ATOM 503 CG PRO A 30 -13.386 -2.794 -3.017 1.00 0.00 C ATOM 504 CD PRO A 30 -13.733 -4.026 -2.235 1.00 0.00 C ATOM 0 HA PRO A 30 -13.788 -1.470 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.232 -1.711 -3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.825 -0.735 -2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.550 -2.948 -4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.335 -2.533 -2.890 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.532 -4.594 -2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.879 -4.697 -2.139 1.00 0.00 H new ATOM 512 N THR A 31 -16.826 -2.483 -1.041 1.00 0.00 N ATOM 513 CA THR A 31 -18.222 -2.280 -0.695 1.00 0.00 C ATOM 514 C THR A 31 -18.442 -2.372 0.812 1.00 0.00 C ATOM 515 O THR A 31 -19.348 -1.739 1.357 1.00 0.00 O ATOM 516 CB THR A 31 -19.113 -3.317 -1.398 1.00 0.00 C ATOM 517 OG1 THR A 31 -18.799 -3.367 -2.795 1.00 0.00 O ATOM 518 CG2 THR A 31 -20.577 -2.972 -1.219 1.00 0.00 C ATOM 0 H THR A 31 -16.663 -3.256 -1.686 1.00 0.00 H new ATOM 0 HA THR A 31 -18.494 -1.279 -1.030 1.00 0.00 H new ATOM 0 HB THR A 31 -18.924 -4.292 -0.949 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.370 -4.031 -3.235 1.00 0.00 H new ATOM 0 HG21 THR A 31 -21.191 -3.718 -1.724 1.00 0.00 H new ATOM 0 HG22 THR A 31 -20.821 -2.960 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 31 -20.774 -1.989 -1.648 1.00 0.00 H new ATOM 526 N THR A 32 -17.608 -3.162 1.481 1.00 0.00 N ATOM 527 CA THR A 32 -17.713 -3.338 2.925 1.00 0.00 C ATOM 528 C THR A 32 -17.556 -2.007 3.656 1.00 0.00 C ATOM 529 O THR A 32 -18.422 -1.616 4.440 1.00 0.00 O ATOM 530 CB THR A 32 -16.665 -4.339 3.445 1.00 0.00 C ATOM 531 OG1 THR A 32 -16.940 -5.644 2.925 1.00 0.00 O ATOM 532 CG2 THR A 32 -16.659 -4.394 4.964 1.00 0.00 C ATOM 0 H THR A 32 -16.852 -3.691 1.046 1.00 0.00 H new ATOM 0 HA THR A 32 -18.707 -3.736 3.127 1.00 0.00 H new ATOM 0 HB THR A 32 -15.684 -4.003 3.108 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.874 -5.878 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.908 -5.110 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.423 -3.407 5.363 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.641 -4.704 5.321 1.00 0.00 H new ATOM 540 N GLY A 33 -16.449 -1.314 3.399 1.00 0.00 N ATOM 541 CA GLY A 33 -16.219 -0.035 4.045 1.00 0.00 C ATOM 542 C GLY A 33 -14.750 0.335 4.129 1.00 0.00 C ATOM 543 O GLY A 33 -14.242 1.079 3.290 1.00 0.00 O ATOM 0 H GLY A 33 -15.713 -1.613 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.752 0.742 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.639 -0.062 5.051 1.00 0.00 H new ATOM 547 N TYR A 34 -14.067 -0.184 5.146 1.00 0.00 N ATOM 548 CA TYR A 34 -12.651 0.106 5.350 1.00 0.00 C ATOM 549 C TYR A 34 -11.823 -0.235 4.114 1.00 0.00 C ATOM 550 O TYR A 34 -12.238 -1.026 3.267 1.00 0.00 O ATOM 551 CB TYR A 34 -12.118 -0.658 6.563 1.00 0.00 C ATOM 552 CG TYR A 34 -12.747 -0.241 7.875 1.00 0.00 C ATOM 553 CD1 TYR A 34 -13.969 -0.764 8.276 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.118 0.675 8.713 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.549 -0.389 9.473 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.692 1.054 9.912 1.00 0.00 C ATOM 557 CZ TYR A 34 -13.906 0.520 10.287 1.00 0.00 C ATOM 558 OH TYR A 34 -14.480 0.896 11.479 1.00 0.00 O ATOM 0 H TYR A 34 -14.473 -0.809 5.843 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.559 1.177 5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.288 -1.724 6.412 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.039 -0.513 6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.475 -1.476 7.641 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.167 1.096 8.422 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.500 -0.805 9.769 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.191 1.765 10.552 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.899 1.542 11.933 1.00 0.00 H new ATOM 568 N MET A 35 -10.647 0.377 4.029 1.00 0.00 N ATOM 569 CA MET A 35 -9.734 0.172 2.924 1.00 0.00 C ATOM 570 C MET A 35 -8.383 -0.290 3.437 1.00 0.00 C ATOM 571 O MET A 35 -7.974 0.068 4.537 1.00 0.00 O ATOM 572 CB MET A 35 -9.551 1.480 2.154 1.00 0.00 C ATOM 573 CG MET A 35 -8.205 1.591 1.462 1.00 0.00 C ATOM 574 SD MET A 35 -7.909 3.221 0.750 1.00 0.00 S ATOM 575 CE MET A 35 -9.130 3.257 -0.559 1.00 0.00 C ATOM 0 H MET A 35 -10.304 1.032 4.732 1.00 0.00 H new ATOM 0 HA MET A 35 -10.152 -0.590 2.266 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.342 1.568 1.409 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.667 2.317 2.842 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.415 1.365 2.178 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.145 0.840 0.674 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.516 4.271 -0.669 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.670 2.940 -1.495 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.949 2.582 -0.311 1.00 0.00 H new ATOM 585 N TRP A 36 -7.688 -1.065 2.627 1.00 0.00 N ATOM 586 CA TRP A 36 -6.371 -1.551 2.993 1.00 0.00 C ATOM 587 C TRP A 36 -5.301 -0.799 2.212 1.00 0.00 C ATOM 588 O TRP A 36 -4.810 -1.277 1.189 1.00 0.00 O ATOM 589 CB TRP A 36 -6.255 -3.045 2.727 1.00 0.00 C ATOM 590 CG TRP A 36 -6.249 -3.879 3.973 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.138 -4.862 4.307 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.312 -3.802 5.053 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.811 -5.397 5.529 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.695 -4.765 6.006 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.188 -3.013 5.307 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -4.992 -4.959 7.191 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.492 -3.207 6.485 1.00 0.00 C ATOM 598 CH2 TRP A 36 -3.896 -4.174 7.413 1.00 0.00 C ATOM 0 H TRP A 36 -8.013 -1.372 1.710 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.224 -1.377 4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.086 -3.358 2.094 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.339 -3.236 2.168 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.975 -5.173 3.699 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.318 -6.144 6.004 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.869 -2.265 4.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.302 -5.703 7.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.622 -2.602 6.693 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.329 -4.302 8.324 1.00 0.00 H new ATOM 609 N THR A 37 -4.954 0.387 2.696 1.00 0.00 N ATOM 610 CA THR A 37 -3.954 1.217 2.038 1.00 0.00 C ATOM 611 C THR A 37 -2.821 1.572 3.008 1.00 0.00 C ATOM 612 O THR A 37 -2.645 0.906 4.027 1.00 0.00 O ATOM 613 CB THR A 37 -4.599 2.501 1.477 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.653 3.224 0.682 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.106 3.390 2.604 1.00 0.00 C ATOM 0 H THR A 37 -5.351 0.795 3.542 1.00 0.00 H new ATOM 0 HA THR A 37 -3.533 0.648 1.209 1.00 0.00 H new ATOM 0 HB THR A 37 -5.445 2.210 0.855 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.816 3.042 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.557 4.289 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.852 2.849 3.187 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.273 3.669 3.250 1.00 0.00 H new ATOM 623 N ARG A 38 -2.053 2.615 2.693 1.00 0.00 N ATOM 624 CA ARG A 38 -0.947 3.035 3.543 1.00 0.00 C ATOM 625 C ARG A 38 -1.400 4.147 4.483 1.00 0.00 C ATOM 626 O ARG A 38 -1.734 5.246 4.039 1.00 0.00 O ATOM 627 CB ARG A 38 0.220 3.512 2.675 1.00 0.00 C ATOM 628 CG ARG A 38 1.543 2.864 2.993 1.00 0.00 C ATOM 629 CD ARG A 38 2.589 3.245 1.960 1.00 0.00 C ATOM 630 NE ARG A 38 2.958 4.656 2.025 1.00 0.00 N ATOM 631 CZ ARG A 38 4.193 5.077 2.293 1.00 0.00 C ATOM 632 NH1 ARG A 38 5.152 4.203 2.567 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.470 6.373 2.295 1.00 0.00 N ATOM 0 H ARG A 38 -2.179 3.182 1.855 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.616 2.188 4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.021 3.322 1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.322 4.591 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.875 3.171 3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.426 1.781 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.479 2.634 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.209 3.019 0.964 1.00 0.00 H new ATOM 0 HE ARG A 38 2.234 5.354 1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.945 3.204 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.096 4.530 2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.736 7.052 2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.417 6.692 2.501 1.00 0.00 H new ATOM 647 N VAL A 39 -1.415 3.852 5.780 1.00 0.00 N ATOM 648 CA VAL A 39 -1.843 4.824 6.780 1.00 0.00 C ATOM 649 C VAL A 39 -1.171 6.176 6.569 1.00 0.00 C ATOM 650 O VAL A 39 0.037 6.256 6.339 1.00 0.00 O ATOM 651 CB VAL A 39 -1.578 4.324 8.218 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.250 3.591 8.299 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.628 5.472 9.217 1.00 0.00 C ATOM 0 H VAL A 39 -1.136 2.948 6.162 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.919 4.946 6.653 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.369 3.621 8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.085 3.248 9.321 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.266 2.733 7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.556 4.265 8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.438 5.090 10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.869 6.211 8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.613 5.938 9.187 1.00 0.00 H new ATOM 663 N GLY A 40 -1.969 7.235 6.649 1.00 0.00 N ATOM 664 CA GLY A 40 -1.455 8.575 6.454 1.00 0.00 C ATOM 665 C GLY A 40 -1.503 8.993 4.998 1.00 0.00 C ATOM 666 O GLY A 40 -1.052 10.080 4.639 1.00 0.00 O ATOM 0 H GLY A 40 -2.968 7.187 6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.036 9.277 7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.427 8.625 6.812 1.00 0.00 H new ATOM 670 N PHE A 41 -2.055 8.120 4.157 1.00 0.00 N ATOM 671 CA PHE A 41 -2.160 8.388 2.729 1.00 0.00 C ATOM 672 C PHE A 41 -3.505 7.925 2.185 1.00 0.00 C ATOM 673 O PHE A 41 -3.774 8.040 0.989 1.00 0.00 O ATOM 674 CB PHE A 41 -1.029 7.683 1.988 1.00 0.00 C ATOM 675 CG PHE A 41 0.321 7.987 2.564 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.967 9.174 2.263 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.934 7.091 3.421 1.00 0.00 C ATOM 678 CE1 PHE A 41 2.206 9.461 2.804 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.172 7.372 3.969 1.00 0.00 C ATOM 680 CZ PHE A 41 2.809 8.558 3.659 1.00 0.00 C ATOM 0 H PHE A 41 -2.437 7.219 4.444 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.081 9.464 2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.197 6.606 2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.047 7.980 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.497 9.884 1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.440 6.162 3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.702 10.389 2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.640 6.665 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.777 8.779 4.084 1.00 0.00 H new ATOM 690 N VAL A 42 -4.339 7.391 3.067 1.00 0.00 N ATOM 691 CA VAL A 42 -5.661 6.912 2.679 1.00 0.00 C ATOM 692 C VAL A 42 -6.409 7.960 1.859 1.00 0.00 C ATOM 693 O VAL A 42 -6.400 9.146 2.191 1.00 0.00 O ATOM 694 CB VAL A 42 -6.511 6.536 3.909 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.712 7.743 4.813 1.00 0.00 C ATOM 696 CG2 VAL A 42 -7.849 5.957 3.476 1.00 0.00 C ATOM 0 H VAL A 42 -4.124 7.278 4.058 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.505 6.021 2.071 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.976 5.774 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.314 7.456 5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.743 8.108 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.223 8.531 4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.435 5.697 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.390 6.695 2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.681 5.063 2.876 1.00 0.00 H new ATOM 706 N GLY A 43 -7.052 7.516 0.783 1.00 0.00 N ATOM 707 CA GLY A 43 -7.796 8.426 -0.068 1.00 0.00 C ATOM 708 C GLY A 43 -6.918 9.118 -1.094 1.00 0.00 C ATOM 709 O GLY A 43 -7.353 9.381 -2.215 1.00 0.00 O ATOM 0 H GLY A 43 -7.071 6.541 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.583 7.874 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.286 9.178 0.551 1.00 0.00 H new ATOM 713 N LYS A 44 -5.681 9.412 -0.709 1.00 0.00 N ATOM 714 CA LYS A 44 -4.739 10.077 -1.597 1.00 0.00 C ATOM 715 C LYS A 44 -4.445 9.222 -2.826 1.00 0.00 C ATOM 716 O LYS A 44 -4.803 8.046 -2.877 1.00 0.00 O ATOM 717 CB LYS A 44 -3.440 10.374 -0.850 1.00 0.00 C ATOM 718 CG LYS A 44 -3.629 11.246 0.379 1.00 0.00 C ATOM 719 CD LYS A 44 -2.294 11.642 0.989 1.00 0.00 C ATOM 720 CE LYS A 44 -2.480 12.512 2.219 1.00 0.00 C ATOM 721 NZ LYS A 44 -3.203 13.775 1.904 1.00 0.00 N ATOM 0 H LYS A 44 -5.308 9.199 0.216 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.189 11.012 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.980 9.432 -0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.744 10.866 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.187 12.142 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.224 10.711 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.735 10.745 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.700 12.178 0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.034 11.956 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.506 12.749 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.104 14.439 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.800 14.200 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.210 13.569 1.749 1.00 0.00 H new ATOM 735 N ASP A 45 -3.790 9.825 -3.812 1.00 0.00 N ATOM 736 CA ASP A 45 -3.439 9.129 -5.036 1.00 0.00 C ATOM 737 C ASP A 45 -2.297 8.152 -4.788 1.00 0.00 C ATOM 738 O ASP A 45 -2.447 6.943 -4.963 1.00 0.00 O ATOM 739 CB ASP A 45 -3.038 10.140 -6.108 1.00 0.00 C ATOM 740 CG ASP A 45 -4.232 10.870 -6.692 1.00 0.00 C ATOM 741 OD1 ASP A 45 -4.800 10.376 -7.689 1.00 0.00 O ATOM 742 OD2 ASP A 45 -4.600 11.935 -6.153 1.00 0.00 O ATOM 0 H ASP A 45 -3.492 10.800 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.307 8.566 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.347 10.865 -5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.504 9.625 -6.907 1.00 0.00 H new ATOM 747 N VAL A 46 -1.158 8.692 -4.377 1.00 0.00 N ATOM 748 CA VAL A 46 0.018 7.883 -4.092 1.00 0.00 C ATOM 749 C VAL A 46 0.225 7.743 -2.591 1.00 0.00 C ATOM 750 O VAL A 46 0.023 8.690 -1.830 1.00 0.00 O ATOM 751 CB VAL A 46 1.283 8.491 -4.727 1.00 0.00 C ATOM 752 CG1 VAL A 46 1.628 9.816 -4.067 1.00 0.00 C ATOM 753 CG2 VAL A 46 2.449 7.518 -4.638 1.00 0.00 C ATOM 0 H VAL A 46 -1.024 9.693 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.153 6.898 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 46 1.082 8.680 -5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.524 10.230 -4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.799 10.513 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.808 9.657 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.333 7.967 -5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.654 7.291 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.197 6.599 -5.166 1.00 0.00 H new ATOM 763 N LEU A 47 0.622 6.551 -2.173 1.00 0.00 N ATOM 764 CA LEU A 47 0.861 6.275 -0.766 1.00 0.00 C ATOM 765 C LEU A 47 2.309 6.583 -0.416 1.00 0.00 C ATOM 766 O LEU A 47 2.592 7.310 0.535 1.00 0.00 O ATOM 767 CB LEU A 47 0.538 4.817 -0.461 1.00 0.00 C ATOM 768 CG LEU A 47 -0.699 4.268 -1.177 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.908 2.801 -0.836 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.933 5.081 -0.818 1.00 0.00 C ATOM 0 H LEU A 47 0.786 5.757 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 47 0.214 6.910 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.398 4.205 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.396 4.709 0.614 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.536 4.351 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.792 2.429 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.036 2.227 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.047 2.694 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.801 4.674 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.099 5.034 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.785 6.119 -1.117 1.00 0.00 H new ATOM 782 N SER A 48 3.216 6.012 -1.198 1.00 0.00 N ATOM 783 CA SER A 48 4.650 6.224 -1.020 1.00 0.00 C ATOM 784 C SER A 48 4.983 7.708 -0.884 1.00 0.00 C ATOM 785 O SER A 48 4.124 8.570 -1.072 1.00 0.00 O ATOM 786 CB SER A 48 5.406 5.648 -2.216 1.00 0.00 C ATOM 787 OG SER A 48 6.806 5.697 -2.010 1.00 0.00 O ATOM 0 H SER A 48 2.981 5.390 -1.972 1.00 0.00 H new ATOM 0 HA SER A 48 4.952 5.718 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.096 4.616 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.149 6.207 -3.116 1.00 0.00 H new ATOM 0 HG SER A 48 7.017 5.359 -1.115 1.00 0.00 H new ATOM 793 N ASP A 49 6.241 8.000 -0.570 1.00 0.00 N ATOM 794 CA ASP A 49 6.687 9.380 -0.413 1.00 0.00 C ATOM 795 C ASP A 49 8.170 9.515 -0.726 1.00 0.00 C ATOM 796 O ASP A 49 8.551 9.958 -1.809 1.00 0.00 O ATOM 797 CB ASP A 49 6.421 9.874 1.009 1.00 0.00 C ATOM 798 CG ASP A 49 6.097 11.354 1.056 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.903 11.705 0.948 1.00 0.00 O ATOM 800 OD2 ASP A 49 7.038 12.163 1.201 1.00 0.00 O ATOM 0 H ASP A 49 6.969 7.301 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 49 6.122 9.990 -1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.593 9.310 1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.296 9.677 1.629 1.00 0.00 H new ATOM 805 N GLU A 50 9.002 9.129 0.235 1.00 0.00 N ATOM 806 CA GLU A 50 10.444 9.221 0.079 1.00 0.00 C ATOM 807 C GLU A 50 11.153 8.032 0.724 1.00 0.00 C ATOM 808 O GLU A 50 12.181 7.567 0.232 1.00 0.00 O ATOM 809 CB GLU A 50 10.924 10.522 0.711 1.00 0.00 C ATOM 810 CG GLU A 50 10.828 10.533 2.229 1.00 0.00 C ATOM 811 CD GLU A 50 11.337 11.825 2.837 1.00 0.00 C ATOM 812 OE1 GLU A 50 10.529 12.762 3.002 1.00 0.00 O ATOM 813 OE2 GLU A 50 12.545 11.899 3.148 1.00 0.00 O ATOM 0 H GLU A 50 8.699 8.749 1.132 1.00 0.00 H new ATOM 0 HA GLU A 50 10.684 9.208 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.960 10.697 0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.336 11.349 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.790 10.381 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.400 9.697 2.631 1.00 0.00 H new ATOM 820 N ILE A 51 10.596 7.549 1.829 1.00 0.00 N ATOM 821 CA ILE A 51 11.177 6.425 2.555 1.00 0.00 C ATOM 822 C ILE A 51 11.039 5.124 1.776 1.00 0.00 C ATOM 823 O ILE A 51 11.996 4.650 1.169 1.00 0.00 O ATOM 824 CB ILE A 51 10.505 6.253 3.929 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.410 7.601 4.645 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.269 5.242 4.772 1.00 0.00 C ATOM 827 CD1 ILE A 51 11.752 8.192 5.025 1.00 0.00 C ATOM 0 H ILE A 51 9.740 7.919 2.243 1.00 0.00 H new ATOM 0 HA ILE A 51 12.235 6.649 2.688 1.00 0.00 H new ATOM 0 HB ILE A 51 9.494 5.874 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.883 8.306 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.809 7.481 5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.780 5.132 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.283 4.279 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.292 5.590 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.600 9.147 5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.274 7.508 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.349 8.347 4.126 1.00 0.00 H new ATOM 839 N LEU A 52 9.845 4.546 1.813 1.00 0.00 N ATOM 840 CA LEU A 52 9.579 3.295 1.109 1.00 0.00 C ATOM 841 C LEU A 52 8.894 3.545 -0.228 1.00 0.00 C ATOM 842 O LEU A 52 7.788 4.080 -0.265 1.00 0.00 O ATOM 843 CB LEU A 52 8.682 2.382 1.951 1.00 0.00 C ATOM 844 CG LEU A 52 9.353 1.690 3.139 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.315 0.948 3.967 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.436 0.734 2.662 1.00 0.00 C ATOM 0 H LEU A 52 9.045 4.922 2.322 1.00 0.00 H new ATOM 0 HA LEU A 52 10.542 2.815 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.846 2.973 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.264 1.615 1.299 1.00 0.00 H new ATOM 0 HG LEU A 52 9.822 2.450 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.804 0.459 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.573 1.655 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.824 0.198 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.901 0.252 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.993 -0.025 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.191 1.288 2.105 1.00 0.00 H new ATOM 858 N GLU A 53 9.551 3.176 -1.324 1.00 0.00 N ATOM 859 CA GLU A 53 8.951 3.329 -2.637 1.00 0.00 C ATOM 860 C GLU A 53 7.783 2.366 -2.749 1.00 0.00 C ATOM 861 O GLU A 53 7.913 1.264 -3.280 1.00 0.00 O ATOM 862 CB GLU A 53 9.956 3.054 -3.745 1.00 0.00 C ATOM 863 CG GLU A 53 9.511 3.610 -5.071 1.00 0.00 C ATOM 864 CD GLU A 53 10.606 3.589 -6.120 1.00 0.00 C ATOM 865 OE1 GLU A 53 10.848 2.512 -6.705 1.00 0.00 O ATOM 866 OE2 GLU A 53 11.222 4.649 -6.358 1.00 0.00 O ATOM 0 H GLU A 53 10.488 2.774 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 53 8.610 4.358 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.918 3.489 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.107 1.978 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.658 3.035 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.168 4.635 -4.932 1.00 0.00 H new ATOM 873 N VAL A 54 6.643 2.801 -2.251 1.00 0.00 N ATOM 874 CA VAL A 54 5.451 1.969 -2.224 1.00 0.00 C ATOM 875 C VAL A 54 4.565 2.148 -3.448 1.00 0.00 C ATOM 876 O VAL A 54 3.727 3.048 -3.496 1.00 0.00 O ATOM 877 CB VAL A 54 4.610 2.243 -0.965 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.491 1.225 -0.835 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.487 2.238 0.277 1.00 0.00 C ATOM 0 H VAL A 54 6.514 3.733 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 54 5.817 0.942 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 54 4.162 3.232 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.909 1.437 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.844 1.282 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.916 0.224 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.873 2.434 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.968 1.265 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.249 3.012 0.187 1.00 0.00 H new ATOM 889 N VAL A 55 4.763 1.288 -4.438 1.00 0.00 N ATOM 890 CA VAL A 55 3.943 1.309 -5.634 1.00 0.00 C ATOM 891 C VAL A 55 2.769 0.369 -5.434 1.00 0.00 C ATOM 892 O VAL A 55 2.792 -0.786 -5.863 1.00 0.00 O ATOM 893 CB VAL A 55 4.716 0.879 -6.884 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.837 1.018 -8.115 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.995 1.686 -7.030 1.00 0.00 C ATOM 0 H VAL A 55 5.486 0.568 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 55 3.611 2.335 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 55 4.996 -0.169 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.396 0.710 -8.998 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.955 0.387 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.528 2.057 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.528 1.364 -7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.750 2.745 -7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.626 1.529 -6.155 1.00 0.00 H new ATOM 905 N CYS A 56 1.755 0.873 -4.760 1.00 0.00 N ATOM 906 CA CYS A 56 0.569 0.091 -4.453 1.00 0.00 C ATOM 907 C CYS A 56 -0.566 0.394 -5.416 1.00 0.00 C ATOM 908 O CYS A 56 -0.627 1.471 -6.008 1.00 0.00 O ATOM 909 CB CYS A 56 0.117 0.365 -3.017 1.00 0.00 C ATOM 910 SG CYS A 56 -1.481 -0.366 -2.591 1.00 0.00 S ATOM 0 H CYS A 56 1.727 1.831 -4.410 1.00 0.00 H new ATOM 0 HA CYS A 56 0.829 -0.962 -4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.873 -0.017 -2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.063 1.443 -2.864 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.774 -0.080 -1.357 1.00 0.00 H new ATOM 916 N LYS A 57 -1.463 -0.571 -5.563 1.00 0.00 N ATOM 917 CA LYS A 57 -2.608 -0.425 -6.440 1.00 0.00 C ATOM 918 C LYS A 57 -3.831 -1.101 -5.840 1.00 0.00 C ATOM 919 O LYS A 57 -3.810 -2.292 -5.515 1.00 0.00 O ATOM 920 CB LYS A 57 -2.308 -1.015 -7.816 1.00 0.00 C ATOM 921 CG LYS A 57 -1.170 -0.315 -8.542 1.00 0.00 C ATOM 922 CD LYS A 57 -0.741 -1.076 -9.785 1.00 0.00 C ATOM 923 CE LYS A 57 -0.009 -2.359 -9.429 1.00 0.00 C ATOM 924 NZ LYS A 57 1.197 -2.098 -8.595 1.00 0.00 N ATOM 0 H LYS A 57 -1.416 -1.468 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.816 0.639 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.062 -2.071 -7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.207 -0.961 -8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.482 0.691 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.319 -0.210 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.617 -1.312 -10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.095 -0.444 -10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.684 -3.025 -8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.286 -2.874 -10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.842 -2.912 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.682 -1.246 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.910 -1.954 -7.606 1.00 0.00 H new ATOM 938 N TYR A 58 -4.888 -0.321 -5.689 1.00 0.00 N ATOM 939 CA TYR A 58 -6.140 -0.812 -5.135 1.00 0.00 C ATOM 940 C TYR A 58 -7.017 -1.348 -6.262 1.00 0.00 C ATOM 941 O TYR A 58 -7.528 -0.582 -7.077 1.00 0.00 O ATOM 942 CB TYR A 58 -6.852 0.323 -4.381 1.00 0.00 C ATOM 943 CG TYR A 58 -8.034 -0.111 -3.538 1.00 0.00 C ATOM 944 CD1 TYR A 58 -9.044 -0.912 -4.066 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.146 0.296 -2.212 1.00 0.00 C ATOM 946 CE1 TYR A 58 -10.127 -1.294 -3.300 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.229 -0.085 -1.443 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.215 -0.877 -1.991 1.00 0.00 C ATOM 949 OH TYR A 58 -11.293 -1.257 -1.223 1.00 0.00 O ATOM 0 H TYR A 58 -4.904 0.666 -5.945 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.942 -1.621 -4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.128 0.820 -3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.194 1.062 -5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.979 -1.240 -5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.377 0.918 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.901 -1.916 -3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.303 0.237 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.203 -0.880 -0.323 1.00 0.00 H new ATOM 959 N THR A 59 -7.180 -2.669 -6.307 1.00 0.00 N ATOM 960 CA THR A 59 -7.985 -3.304 -7.346 1.00 0.00 C ATOM 961 C THR A 59 -9.398 -3.606 -6.855 1.00 0.00 C ATOM 962 O THR A 59 -9.609 -4.540 -6.081 1.00 0.00 O ATOM 963 CB THR A 59 -7.331 -4.610 -7.840 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.997 -4.348 -8.292 1.00 0.00 O ATOM 965 CG2 THR A 59 -8.139 -5.227 -8.972 1.00 0.00 C ATOM 0 H THR A 59 -6.766 -3.318 -5.638 1.00 0.00 H new ATOM 0 HA THR A 59 -8.043 -2.597 -8.173 1.00 0.00 H new ATOM 0 HB THR A 59 -7.304 -5.313 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.587 -5.182 -8.603 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.657 -6.147 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.146 -5.451 -8.620 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.193 -4.526 -9.805 1.00 0.00 H new ATOM 973 N PRO A 60 -10.384 -2.809 -7.300 1.00 0.00 N ATOM 974 CA PRO A 60 -11.778 -2.964 -6.929 1.00 0.00 C ATOM 975 C PRO A 60 -12.599 -3.647 -8.019 1.00 0.00 C ATOM 976 O PRO A 60 -12.046 -4.262 -8.930 1.00 0.00 O ATOM 977 CB PRO A 60 -12.198 -1.508 -6.790 1.00 0.00 C ATOM 978 CG PRO A 60 -11.427 -0.796 -7.863 1.00 0.00 C ATOM 979 CD PRO A 60 -10.229 -1.656 -8.195 1.00 0.00 C ATOM 0 HA PRO A 60 -11.926 -3.584 -6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.273 -1.389 -6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.957 -1.117 -5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.048 -0.643 -8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.111 0.189 -7.521 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.228 -1.957 -9.243 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.292 -1.129 -8.014 1.00 0.00 H new ATOM 987 N THR A 61 -13.919 -3.511 -7.921 1.00 0.00 N ATOM 988 CA THR A 61 -14.840 -4.091 -8.890 1.00 0.00 C ATOM 989 C THR A 61 -14.681 -5.610 -9.001 1.00 0.00 C ATOM 990 O THR A 61 -13.570 -6.137 -9.011 1.00 0.00 O ATOM 991 CB THR A 61 -14.644 -3.447 -10.271 1.00 0.00 C ATOM 992 OG1 THR A 61 -15.089 -2.087 -10.244 1.00 0.00 O ATOM 993 CG2 THR A 61 -15.385 -4.206 -11.364 1.00 0.00 C ATOM 0 H THR A 61 -14.378 -2.997 -7.169 1.00 0.00 H new ATOM 0 HA THR A 61 -15.849 -3.887 -8.532 1.00 0.00 H new ATOM 0 HB THR A 61 -13.579 -3.485 -10.501 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.959 -1.683 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 61 -15.219 -3.716 -12.324 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.015 -5.230 -11.411 1.00 0.00 H new ATOM 0 HG23 THR A 61 -16.452 -4.215 -11.141 1.00 0.00 H new ATOM 1001 N PRO A 62 -15.811 -6.330 -9.092 1.00 0.00 N ATOM 1002 CA PRO A 62 -15.823 -7.793 -9.213 1.00 0.00 C ATOM 1003 C PRO A 62 -15.080 -8.275 -10.455 1.00 0.00 C ATOM 1004 O PRO A 62 -14.578 -7.471 -11.242 1.00 0.00 O ATOM 1005 CB PRO A 62 -17.316 -8.133 -9.324 1.00 0.00 C ATOM 1006 CG PRO A 62 -17.972 -6.857 -9.732 1.00 0.00 C ATOM 1007 CD PRO A 62 -17.167 -5.769 -9.092 1.00 0.00 C ATOM 0 HA PRO A 62 -15.324 -8.273 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.488 -8.919 -10.060 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.711 -8.494 -8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.982 -6.751 -10.817 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -19.009 -6.825 -9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -17.221 -4.839 -9.658 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -17.514 -5.548 -8.083 1.00 0.00 H new ATOM 1015 N SER A 63 -15.016 -9.591 -10.625 1.00 0.00 N ATOM 1016 CA SER A 63 -14.341 -10.182 -11.768 1.00 0.00 C ATOM 1017 C SER A 63 -15.108 -9.906 -13.057 1.00 0.00 C ATOM 1018 O SER A 63 -16.230 -10.378 -13.236 1.00 0.00 O ATOM 1019 CB SER A 63 -14.195 -11.687 -11.556 1.00 0.00 C ATOM 1020 OG SER A 63 -15.450 -12.288 -11.284 1.00 0.00 O ATOM 0 H SER A 63 -15.426 -10.268 -9.982 1.00 0.00 H new ATOM 0 HA SER A 63 -13.353 -9.731 -11.859 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.755 -12.142 -12.444 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.511 -11.876 -10.729 1.00 0.00 H new ATOM 0 HG SER A 63 -16.124 -11.932 -11.900 1.00 0.00 H new ATOM 1026 N SER A 64 -14.494 -9.137 -13.951 1.00 0.00 N ATOM 1027 CA SER A 64 -15.120 -8.796 -15.224 1.00 0.00 C ATOM 1028 C SER A 64 -14.579 -9.669 -16.351 1.00 0.00 C ATOM 1029 O SER A 64 -15.285 -9.961 -17.316 1.00 0.00 O ATOM 1030 CB SER A 64 -14.884 -7.319 -15.550 1.00 0.00 C ATOM 1031 OG SER A 64 -15.490 -6.966 -16.781 1.00 0.00 O ATOM 0 H SER A 64 -13.565 -8.739 -13.818 1.00 0.00 H new ATOM 0 HA SER A 64 -16.191 -8.977 -15.133 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.288 -6.698 -14.751 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.813 -7.120 -15.598 1.00 0.00 H new ATOM 0 HG SER A 64 -15.326 -6.018 -16.966 1.00 0.00 H new ATOM 1037 N THR A 65 -13.323 -10.086 -16.221 1.00 0.00 N ATOM 1038 CA THR A 65 -12.687 -10.926 -17.230 1.00 0.00 C ATOM 1039 C THR A 65 -11.533 -11.747 -16.644 1.00 0.00 C ATOM 1040 O THR A 65 -11.472 -12.961 -16.842 1.00 0.00 O ATOM 1041 CB THR A 65 -12.171 -10.095 -18.425 1.00 0.00 C ATOM 1042 OG1 THR A 65 -13.245 -9.337 -18.995 1.00 0.00 O ATOM 1043 CG2 THR A 65 -11.564 -10.997 -19.490 1.00 0.00 C ATOM 0 H THR A 65 -12.726 -9.856 -15.427 1.00 0.00 H new ATOM 0 HA THR A 65 -13.457 -11.610 -17.585 1.00 0.00 H new ATOM 0 HB THR A 65 -11.399 -9.417 -18.060 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.909 -8.812 -19.751 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.208 -10.389 -20.322 1.00 0.00 H new ATOM 0 HG22 THR A 65 -10.729 -11.553 -19.063 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.320 -11.696 -19.849 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.601 -11.101 -15.915 1.00 0.00 N ATOM 1052 CA PRO A 66 -9.454 -11.782 -15.311 1.00 0.00 C ATOM 1053 C PRO A 66 -9.849 -12.601 -14.087 1.00 0.00 C ATOM 1054 O PRO A 66 -11.033 -12.763 -13.792 1.00 0.00 O ATOM 1055 CB PRO A 66 -8.514 -10.632 -14.906 1.00 0.00 C ATOM 1056 CG PRO A 66 -9.110 -9.395 -15.497 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.578 -9.667 -15.623 1.00 0.00 C ATOM 0 HA PRO A 66 -8.999 -12.494 -16.000 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.439 -10.551 -13.822 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.505 -10.799 -15.283 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.926 -8.530 -14.860 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.669 -9.175 -16.469 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.117 -9.429 -14.706 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.034 -9.081 -16.421 1.00 0.00 H new ATOM 1065 N MET A 67 -8.849 -13.114 -13.378 1.00 0.00 N ATOM 1066 CA MET A 67 -9.090 -13.917 -12.184 1.00 0.00 C ATOM 1067 C MET A 67 -7.842 -13.961 -11.311 1.00 0.00 C ATOM 1068 O MET A 67 -7.686 -14.850 -10.473 1.00 0.00 O ATOM 1069 CB MET A 67 -9.509 -15.336 -12.574 1.00 0.00 C ATOM 1070 CG MET A 67 -8.480 -16.064 -13.425 1.00 0.00 C ATOM 1071 SD MET A 67 -9.009 -17.725 -13.885 1.00 0.00 S ATOM 1072 CE MET A 67 -9.183 -18.487 -12.274 1.00 0.00 C ATOM 0 H MET A 67 -7.864 -12.988 -13.609 1.00 0.00 H new ATOM 0 HA MET A 67 -9.897 -13.456 -11.615 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.692 -15.913 -11.668 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.452 -15.290 -13.119 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.286 -15.485 -14.328 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.539 -16.125 -12.878 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.171 -19.572 -12.381 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.358 -18.176 -11.634 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.127 -18.177 -11.825 1.00 0.00 H new ATOM 1082 N VAL A 68 -6.960 -12.989 -11.512 1.00 0.00 N ATOM 1083 CA VAL A 68 -5.720 -12.911 -10.754 1.00 0.00 C ATOM 1084 C VAL A 68 -5.846 -11.916 -9.602 1.00 0.00 C ATOM 1085 O VAL A 68 -4.860 -11.339 -9.143 1.00 0.00 O ATOM 1086 CB VAL A 68 -4.543 -12.511 -11.671 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -4.632 -11.042 -12.061 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -3.208 -12.824 -11.011 1.00 0.00 C ATOM 0 H VAL A 68 -7.083 -12.242 -12.196 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.521 -13.899 -10.339 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.610 -13.103 -12.584 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.792 -10.785 -12.707 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.566 -10.863 -12.593 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.601 -10.425 -11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.396 -12.533 -11.677 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.126 -12.271 -10.075 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.145 -13.893 -10.807 1.00 0.00 H new ATOM 1098 N GLY A 69 -7.073 -11.738 -9.129 1.00 0.00 N ATOM 1099 CA GLY A 69 -7.324 -10.817 -8.036 1.00 0.00 C ATOM 1100 C GLY A 69 -7.955 -9.520 -8.503 1.00 0.00 C ATOM 1101 O GLY A 69 -7.260 -8.528 -8.726 1.00 0.00 O ATOM 0 H GLY A 69 -7.901 -12.216 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.979 -11.294 -7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.385 -10.598 -7.527 1.00 0.00 H new ATOM 1105 N VAL A 70 -9.278 -9.528 -8.651 1.00 0.00 N ATOM 1106 CA VAL A 70 -10.008 -8.347 -9.094 1.00 0.00 C ATOM 1107 C VAL A 70 -11.364 -8.264 -8.403 1.00 0.00 C ATOM 1108 O VAL A 70 -12.372 -8.747 -8.921 1.00 0.00 O ATOM 1109 CB VAL A 70 -10.221 -8.342 -10.623 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -10.979 -7.095 -11.054 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -8.890 -8.440 -11.353 1.00 0.00 C ATOM 0 H VAL A 70 -9.865 -10.342 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.402 -7.481 -8.826 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.818 -9.215 -10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.119 -7.110 -12.135 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.951 -7.072 -10.562 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.410 -6.208 -10.774 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.064 -8.435 -12.429 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.263 -7.590 -11.083 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.388 -9.365 -11.071 1.00 0.00 H new ATOM 1121 N GLY A 71 -11.377 -7.658 -7.221 1.00 0.00 N ATOM 1122 CA GLY A 71 -12.604 -7.517 -6.471 1.00 0.00 C ATOM 1123 C GLY A 71 -12.353 -7.236 -5.006 1.00 0.00 C ATOM 1124 O GLY A 71 -13.051 -7.755 -4.135 1.00 0.00 O ATOM 0 H GLY A 71 -10.553 -7.261 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.197 -6.708 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.193 -8.429 -6.568 1.00 0.00 H new ATOM 1128 N GLY A 72 -11.351 -6.410 -4.740 1.00 0.00 N ATOM 1129 CA GLY A 72 -11.015 -6.065 -3.374 1.00 0.00 C ATOM 1130 C GLY A 72 -9.580 -6.393 -3.028 1.00 0.00 C ATOM 1131 O GLY A 72 -9.263 -6.698 -1.879 1.00 0.00 O ATOM 0 H GLY A 72 -10.763 -5.971 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.188 -5.000 -3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.680 -6.598 -2.694 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.717 -6.336 -4.028 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.301 -6.627 -3.836 1.00 0.00 C ATOM 1137 C ILE A 73 -6.538 -5.395 -3.382 1.00 0.00 C ATOM 1138 O ILE A 73 -7.006 -4.264 -3.508 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.661 -7.202 -5.125 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.525 -8.719 -5.008 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -5.308 -6.568 -5.444 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -5.410 -9.163 -4.076 1.00 0.00 C ATOM 0 H ILE A 73 -8.970 -6.090 -4.985 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.235 -7.382 -3.052 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.326 -6.957 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.469 -9.133 -4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.346 -9.136 -5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.906 -7.008 -6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.433 -5.494 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.618 -6.749 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.375 -10.252 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.457 -8.780 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.598 -8.776 -3.074 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.356 -5.645 -2.855 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.478 -4.594 -2.366 1.00 0.00 C ATOM 1156 C TYR A 74 -3.030 -4.969 -2.645 1.00 0.00 C ATOM 1157 O TYR A 74 -2.325 -5.444 -1.757 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.678 -4.380 -0.864 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.128 -4.275 -0.448 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.821 -3.080 -0.572 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.803 -5.371 0.070 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.145 -2.984 -0.189 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.124 -5.282 0.454 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.792 -4.086 0.323 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.111 -3.992 0.704 1.00 0.00 O ATOM 0 H TYR A 74 -4.974 -6.585 -2.752 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.721 -3.666 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.214 -5.206 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.157 -3.471 -0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.319 -2.212 -0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.283 -6.312 0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.671 -2.046 -0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.632 -6.146 0.856 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.621 -4.726 0.301 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.591 -4.760 -3.883 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.229 -5.101 -4.272 1.00 0.00 C ATOM 1177 C VAL A 75 -0.271 -3.969 -3.930 1.00 0.00 C ATOM 1178 O VAL A 75 -0.253 -2.928 -4.585 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.132 -5.440 -5.774 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.786 -4.361 -6.619 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.317 -5.640 -6.188 1.00 0.00 C ATOM 0 H VAL A 75 -3.157 -4.358 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.945 -5.989 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.669 -6.373 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.704 -4.625 -7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.838 -4.274 -6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.286 -3.408 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.362 -5.878 -7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.880 -4.726 -5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.750 -6.459 -5.614 1.00 0.00 H new ATOM 1191 N VAL A 76 0.526 -4.187 -2.896 1.00 0.00 N ATOM 1192 CA VAL A 76 1.480 -3.185 -2.438 1.00 0.00 C ATOM 1193 C VAL A 76 2.925 -3.558 -2.765 1.00 0.00 C ATOM 1194 O VAL A 76 3.438 -4.560 -2.271 1.00 0.00 O ATOM 1195 CB VAL A 76 1.366 -2.987 -0.916 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.200 -1.800 -0.466 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.087 -2.819 -0.503 1.00 0.00 C ATOM 0 H VAL A 76 0.532 -5.052 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 76 1.231 -2.264 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 76 1.755 -3.879 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.106 -1.677 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.246 -1.972 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.848 -0.898 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.145 -2.680 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.509 -1.948 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.651 -3.708 -0.785 1.00 0.00 H new ATOM 1207 N LEU A 77 3.576 -2.748 -3.602 1.00 0.00 N ATOM 1208 CA LEU A 77 4.975 -2.978 -3.951 1.00 0.00 C ATOM 1209 C LEU A 77 5.859 -2.051 -3.141 1.00 0.00 C ATOM 1210 O LEU A 77 5.997 -0.875 -3.466 1.00 0.00 O ATOM 1211 CB LEU A 77 5.231 -2.743 -5.441 1.00 0.00 C ATOM 1212 CG LEU A 77 4.613 -3.780 -6.380 1.00 0.00 C ATOM 1213 CD1 LEU A 77 5.095 -3.561 -7.807 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.947 -5.187 -5.913 1.00 0.00 C ATOM 0 H LEU A 77 3.158 -1.931 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 77 5.209 -4.018 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.846 -1.759 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.308 -2.720 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 77 3.530 -3.660 -6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.645 -4.308 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.805 -2.565 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.180 -3.654 -7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.499 -5.912 -6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.029 -5.320 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.553 -5.340 -4.908 1.00 0.00 H new ATOM 1226 N VAL A 78 6.462 -2.576 -2.091 1.00 0.00 N ATOM 1227 CA VAL A 78 7.311 -1.760 -1.241 1.00 0.00 C ATOM 1228 C VAL A 78 8.774 -1.878 -1.649 1.00 0.00 C ATOM 1229 O VAL A 78 9.385 -2.942 -1.537 1.00 0.00 O ATOM 1230 CB VAL A 78 7.145 -2.125 0.243 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.934 -0.864 1.075 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.985 -3.091 0.429 1.00 0.00 C ATOM 0 H VAL A 78 6.382 -3.553 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 78 6.995 -0.725 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 78 8.055 -2.617 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.818 -1.136 2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.796 -0.206 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.037 -0.348 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.883 -3.338 1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.065 -2.627 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.175 -4.001 -0.140 1.00 0.00 H new ATOM 1242 N LYS A 79 9.320 -0.766 -2.128 1.00 0.00 N ATOM 1243 CA LYS A 79 10.705 -0.702 -2.575 1.00 0.00 C ATOM 1244 C LYS A 79 11.484 0.321 -1.751 1.00 0.00 C ATOM 1245 O LYS A 79 11.515 1.499 -2.090 1.00 0.00 O ATOM 1246 CB LYS A 79 10.749 -0.325 -4.058 1.00 0.00 C ATOM 1247 CG LYS A 79 10.615 -1.515 -4.997 1.00 0.00 C ATOM 1248 CD LYS A 79 10.750 -1.096 -6.452 1.00 0.00 C ATOM 1249 CE LYS A 79 9.564 -0.262 -6.908 1.00 0.00 C ATOM 1250 NZ LYS A 79 8.282 -1.008 -6.787 1.00 0.00 N ATOM 0 H LYS A 79 8.815 0.116 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 79 11.167 -1.680 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.948 0.384 -4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.689 0.186 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.378 -2.256 -4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.648 -1.994 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.669 -0.524 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.834 -1.983 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.511 0.650 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.711 0.042 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.561 -0.558 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.422 -1.992 -7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.966 -0.996 -5.796 1.00 0.00 H new ATOM 1264 N PRO A 80 12.136 -0.114 -0.661 1.00 0.00 N ATOM 1265 CA PRO A 80 12.891 0.784 0.214 1.00 0.00 C ATOM 1266 C PRO A 80 13.812 1.727 -0.555 1.00 0.00 C ATOM 1267 O PRO A 80 14.780 1.297 -1.179 1.00 0.00 O ATOM 1268 CB PRO A 80 13.706 -0.159 1.109 1.00 0.00 C ATOM 1269 CG PRO A 80 13.510 -1.533 0.553 1.00 0.00 C ATOM 1270 CD PRO A 80 12.212 -1.506 -0.202 1.00 0.00 C ATOM 0 HA PRO A 80 12.224 1.441 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.761 0.116 1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.366 -0.105 2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.335 -1.807 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.479 -2.274 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.214 -2.208 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.367 -1.769 0.435 1.00 0.00 H new ATOM 1278 N ARG A 81 13.490 3.017 -0.507 1.00 0.00 N ATOM 1279 CA ARG A 81 14.280 4.035 -1.184 1.00 0.00 C ATOM 1280 C ARG A 81 15.511 4.403 -0.362 1.00 0.00 C ATOM 1281 O ARG A 81 16.598 4.603 -0.906 1.00 0.00 O ATOM 1282 CB ARG A 81 13.432 5.281 -1.432 1.00 0.00 C ATOM 1283 CG ARG A 81 12.676 5.253 -2.748 1.00 0.00 C ATOM 1284 CD ARG A 81 11.687 6.398 -2.836 1.00 0.00 C ATOM 1285 NE ARG A 81 10.879 6.335 -4.051 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.052 7.301 -4.439 1.00 0.00 C ATOM 1287 NH1 ARG A 81 9.926 8.403 -3.711 1.00 0.00 N ATOM 1288 NH2 ARG A 81 9.352 7.167 -5.556 1.00 0.00 N ATOM 0 H ARG A 81 12.682 3.381 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 81 14.610 3.629 -2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.718 5.392 -0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.078 6.159 -1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.381 5.314 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.148 4.305 -2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.032 6.379 -1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.226 7.345 -2.809 1.00 0.00 H new ATOM 0 HE ARG A 81 10.953 5.502 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.464 8.511 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.291 9.143 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.447 6.322 -6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.718 7.909 -5.853 1.00 0.00 H new ATOM 1302 N LYS A 82 15.330 4.488 0.953 1.00 0.00 N ATOM 1303 CA LYS A 82 16.421 4.832 1.859 1.00 0.00 C ATOM 1304 C LYS A 82 16.857 3.617 2.672 1.00 0.00 C ATOM 1305 O LYS A 82 16.263 2.544 2.566 1.00 0.00 O ATOM 1306 CB LYS A 82 15.992 5.960 2.799 1.00 0.00 C ATOM 1307 CG LYS A 82 15.499 7.203 2.075 1.00 0.00 C ATOM 1308 CD LYS A 82 15.134 8.309 3.052 1.00 0.00 C ATOM 1309 CE LYS A 82 14.605 9.537 2.329 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.611 10.106 1.390 1.00 0.00 N ATOM 0 H LYS A 82 14.436 4.323 1.415 1.00 0.00 H new ATOM 0 HA LYS A 82 17.267 5.168 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.202 5.594 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.834 6.231 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.272 7.559 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.630 6.951 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.382 7.945 3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.011 8.581 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.703 9.273 1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.322 10.294 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.297 11.045 1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.527 10.193 1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.712 9.478 0.567 1.00 0.00 H new ATOM 1324 N ARG A 83 17.898 3.793 3.481 1.00 0.00 N ATOM 1325 CA ARG A 83 18.414 2.713 4.314 1.00 0.00 C ATOM 1326 C ARG A 83 18.201 3.013 5.796 1.00 0.00 C ATOM 1327 O ARG A 83 18.190 4.174 6.207 1.00 0.00 O ATOM 1328 CB ARG A 83 19.902 2.508 4.036 1.00 0.00 C ATOM 1329 CG ARG A 83 20.220 2.306 2.565 1.00 0.00 C ATOM 1330 CD ARG A 83 21.714 2.377 2.305 1.00 0.00 C ATOM 1331 NE ARG A 83 22.037 2.156 0.898 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.275 2.180 0.412 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.302 2.414 1.217 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.485 1.968 -0.880 1.00 0.00 N ATOM 0 H ARG A 83 18.401 4.675 3.577 1.00 0.00 H new ATOM 0 HA ARG A 83 17.869 1.802 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.455 3.372 4.404 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.253 1.642 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.838 1.339 2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.710 3.066 1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.090 3.353 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.224 1.631 2.915 1.00 0.00 H new ATOM 0 HE ARG A 83 21.270 1.973 0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.144 2.576 2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.250 2.432 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.697 1.786 -1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.435 1.987 -1.252 1.00 0.00 H new ATOM 1348 N GLY A 84 18.031 1.961 6.593 1.00 0.00 N ATOM 1349 CA GLY A 84 17.825 2.137 8.021 1.00 0.00 C ATOM 1350 C GLY A 84 16.546 1.487 8.513 1.00 0.00 C ATOM 1351 O GLY A 84 15.997 0.605 7.854 1.00 0.00 O ATOM 0 H GLY A 84 18.032 0.991 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.673 1.715 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.798 3.202 8.251 1.00 0.00 H new ATOM 1355 N HIS A 85 16.073 1.918 9.678 1.00 0.00 N ATOM 1356 CA HIS A 85 14.851 1.372 10.256 1.00 0.00 C ATOM 1357 C HIS A 85 13.629 1.834 9.471 1.00 0.00 C ATOM 1358 O HIS A 85 13.142 2.948 9.665 1.00 0.00 O ATOM 1359 CB HIS A 85 14.719 1.789 11.722 1.00 0.00 C ATOM 1360 CG HIS A 85 15.851 1.320 12.582 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.899 2.134 12.957 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.095 0.112 13.146 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.739 1.447 13.712 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.273 0.219 13.842 1.00 0.00 N ATOM 0 H HIS A 85 16.518 2.644 10.240 1.00 0.00 H new ATOM 0 HA HIS A 85 14.908 0.285 10.203 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.657 2.876 11.778 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.784 1.396 12.120 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.478 -0.770 13.063 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.651 1.826 14.148 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.717 -0.530 14.374 1.00 0.00 H new ATOM 1373 N HIS A 86 13.142 0.973 8.584 1.00 0.00 N ATOM 1374 CA HIS A 86 11.979 1.299 7.768 1.00 0.00 C ATOM 1375 C HIS A 86 10.934 0.187 7.821 1.00 0.00 C ATOM 1376 O HIS A 86 11.250 -0.981 8.064 1.00 0.00 O ATOM 1377 CB HIS A 86 12.398 1.556 6.320 1.00 0.00 C ATOM 1378 CG HIS A 86 13.271 2.762 6.155 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.286 3.808 7.054 1.00 0.00 N ATOM 1380 CD2 HIS A 86 14.166 3.085 5.191 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.151 4.721 6.650 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.697 4.306 5.522 1.00 0.00 N ATOM 0 H HIS A 86 13.533 0.047 8.412 1.00 0.00 H new ATOM 0 HA HIS A 86 11.531 2.205 8.175 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.926 0.681 5.942 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.504 1.678 5.708 1.00 0.00 H new ATOM 0 HD1 HIS A 86 12.718 3.867 7.899 1.00 0.00 H new ATOM 0 HD2 HIS A 86 14.415 2.492 4.323 1.00 0.00 H new ATOM 0 HE1 HIS A 86 14.374 5.649 7.156 1.00 0.00 H new ATOM 1391 N THR A 87 9.684 0.560 7.593 1.00 0.00 N ATOM 1392 CA THR A 87 8.592 -0.398 7.618 1.00 0.00 C ATOM 1393 C THR A 87 7.380 0.130 6.869 1.00 0.00 C ATOM 1394 O THR A 87 7.035 1.306 6.979 1.00 0.00 O ATOM 1395 CB THR A 87 8.182 -0.732 9.063 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.237 -1.444 9.720 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.908 -1.559 9.087 1.00 0.00 C ATOM 0 H THR A 87 9.402 1.519 7.389 1.00 0.00 H new ATOM 0 HA THR A 87 8.950 -1.303 7.127 1.00 0.00 H new ATOM 0 HB THR A 87 7.996 0.204 9.590 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.906 -1.812 10.566 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.639 -1.782 10.119 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.101 -0.998 8.615 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.069 -2.491 8.544 1.00 0.00 H new ATOM 1405 N LEU A 88 6.733 -0.745 6.106 1.00 0.00 N ATOM 1406 CA LEU A 88 5.550 -0.348 5.351 1.00 0.00 C ATOM 1407 C LEU A 88 4.359 -0.193 6.281 1.00 0.00 C ATOM 1408 O LEU A 88 3.857 -1.173 6.832 1.00 0.00 O ATOM 1409 CB LEU A 88 5.222 -1.365 4.261 1.00 0.00 C ATOM 1410 CG LEU A 88 3.867 -1.163 3.577 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.882 0.094 2.722 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.506 -2.377 2.738 1.00 0.00 C ATOM 0 H LEU A 88 7.003 -1.722 5.994 1.00 0.00 H new ATOM 0 HA LEU A 88 5.765 0.609 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.004 -1.328 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.247 -2.364 4.697 1.00 0.00 H new ATOM 0 HG LEU A 88 3.107 -1.043 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.911 0.221 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.093 0.959 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.654 0.005 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.540 -2.215 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.268 -2.531 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.451 -3.258 3.378 1.00 0.00 H new ATOM 1424 N GLU A 89 3.918 1.043 6.455 1.00 0.00 N ATOM 1425 CA GLU A 89 2.791 1.336 7.322 1.00 0.00 C ATOM 1426 C GLU A 89 1.464 1.231 6.578 1.00 0.00 C ATOM 1427 O GLU A 89 1.042 2.169 5.902 1.00 0.00 O ATOM 1428 CB GLU A 89 2.944 2.731 7.920 1.00 0.00 C ATOM 1429 CG GLU A 89 4.202 2.891 8.748 1.00 0.00 C ATOM 1430 CD GLU A 89 4.328 4.270 9.366 1.00 0.00 C ATOM 1431 OE1 GLU A 89 4.915 5.160 8.717 1.00 0.00 O ATOM 1432 OE2 GLU A 89 3.836 4.459 10.499 1.00 0.00 O ATOM 0 H GLU A 89 4.327 1.862 6.004 1.00 0.00 H new ATOM 0 HA GLU A 89 2.784 0.594 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.951 3.466 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.077 2.949 8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.208 2.141 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.072 2.699 8.120 1.00 0.00 H new ATOM 1439 N LEU A 90 0.817 0.078 6.705 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.476 -0.149 6.068 1.00 0.00 C ATOM 1441 C LEU A 90 -1.584 0.008 7.100 1.00 0.00 C ATOM 1442 O LEU A 90 -1.311 0.094 8.296 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.538 -1.539 5.432 1.00 0.00 C ATOM 1444 CG LEU A 90 0.443 -1.781 4.278 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.131 -3.100 3.587 1.00 0.00 C ATOM 1446 CD2 LEU A 90 0.402 -0.632 3.280 1.00 0.00 C ATOM 0 H LEU A 90 1.166 -0.715 7.243 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.609 0.588 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.351 -2.283 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.551 -1.707 5.066 1.00 0.00 H new ATOM 0 HG LEU A 90 1.450 -1.834 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.835 -3.258 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.218 -3.916 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.884 -3.072 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.106 -0.827 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.604 -0.541 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.675 0.296 3.782 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.833 0.036 6.651 1.00 0.00 N ATOM 1459 CA VAL A 91 -3.945 0.212 7.575 1.00 0.00 C ATOM 1460 C VAL A 91 -5.293 -0.107 6.931 1.00 0.00 C ATOM 1461 O VAL A 91 -5.463 0.014 5.715 1.00 0.00 O ATOM 1462 CB VAL A 91 -3.987 1.668 8.077 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.234 2.614 6.911 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.042 1.853 9.157 1.00 0.00 C ATOM 0 H VAL A 91 -3.098 -0.059 5.671 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.780 -0.482 8.399 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.020 1.903 8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.262 3.641 7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.431 2.510 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.186 2.370 6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.045 2.891 9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.023 1.598 8.755 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.816 1.203 10.002 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.247 -0.512 7.767 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.601 -0.809 7.316 1.00 0.00 C ATOM 1476 C TYR A 92 -8.510 0.343 7.735 1.00 0.00 C ATOM 1477 O TYR A 92 -9.153 0.290 8.783 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.088 -2.129 7.922 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.242 -2.773 7.182 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.302 -2.761 5.793 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.268 -3.403 7.875 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.352 -3.356 5.118 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.319 -4.003 7.208 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.355 -3.977 5.830 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.401 -4.572 5.161 1.00 0.00 O ATOM 0 H TYR A 92 -6.103 -0.642 8.768 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.618 -0.916 6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.254 -2.831 7.950 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.389 -1.951 8.954 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.515 -2.279 5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.244 -3.424 8.955 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.386 -3.334 4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.108 -4.489 7.763 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.022 -4.966 5.809 1.00 0.00 H new ATOM 1495 N THR A 93 -8.543 1.392 6.914 1.00 0.00 N ATOM 1496 CA THR A 93 -9.323 2.589 7.225 1.00 0.00 C ATOM 1497 C THR A 93 -10.316 2.963 6.133 1.00 0.00 C ATOM 1498 O THR A 93 -10.065 2.745 4.953 1.00 0.00 O ATOM 1499 CB THR A 93 -8.386 3.786 7.421 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.152 4.972 7.654 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.510 3.972 6.190 1.00 0.00 C ATOM 0 H THR A 93 -8.039 1.437 6.029 1.00 0.00 H new ATOM 0 HA THR A 93 -9.880 2.354 8.132 1.00 0.00 H new ATOM 0 HB THR A 93 -7.748 3.596 8.285 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.211 5.492 6.825 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.848 4.825 6.340 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.914 3.074 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.140 4.150 5.319 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.431 3.567 6.544 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.458 4.012 5.607 1.00 0.00 C ATOM 1511 C ARG A 94 -12.118 5.408 5.084 1.00 0.00 C ATOM 1512 O ARG A 94 -12.326 6.398 5.785 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.833 4.043 6.282 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.277 2.702 6.838 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.649 2.794 7.484 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.674 3.218 6.534 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.961 3.348 6.845 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.378 3.089 8.077 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.830 3.739 5.924 1.00 0.00 N ATOM 0 H ARG A 94 -11.645 3.759 7.523 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.490 3.307 4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.813 4.772 7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.573 4.389 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.300 1.964 6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.551 2.353 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.920 1.824 7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.612 3.498 8.315 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.387 3.426 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.711 2.789 8.789 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.365 3.189 8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.512 3.940 4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.817 3.838 6.163 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.580 5.510 3.855 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.214 6.797 3.254 1.00 0.00 C ATOM 1535 C PRO A 95 -12.358 7.806 3.282 1.00 0.00 C ATOM 1536 O PRO A 95 -12.141 8.999 3.502 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.854 6.442 1.803 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.289 5.025 1.607 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.276 4.389 2.959 1.00 0.00 C ATOM 0 HA PRO A 95 -10.401 7.272 3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.359 7.106 1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.783 6.549 1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.285 4.982 1.167 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.617 4.503 0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.019 3.596 3.039 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.308 3.943 3.186 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.575 7.323 3.058 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.750 8.172 3.047 1.00 0.00 C ATOM 1549 C PHE A 96 -15.237 8.483 4.462 1.00 0.00 C ATOM 1550 O PHE A 96 -16.327 9.024 4.643 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.852 7.478 2.255 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.540 7.328 0.793 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -14.752 6.280 0.345 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.032 8.235 -0.131 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -14.461 6.139 -0.999 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -15.744 8.100 -1.476 1.00 0.00 C ATOM 1557 CZ PHE A 96 -14.958 7.051 -1.910 1.00 0.00 C ATOM 0 H PHE A 96 -13.769 6.338 2.880 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.488 9.121 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.029 6.491 2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.777 8.044 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.361 5.565 1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.648 9.057 0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -13.846 5.318 -1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.133 8.814 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 96 -14.732 6.944 -2.961 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.425 8.145 5.460 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.786 8.387 6.856 1.00 0.00 C ATOM 1569 C GLU A 97 -13.553 8.679 7.708 1.00 0.00 C ATOM 1570 O GLU A 97 -13.660 8.874 8.919 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.525 7.177 7.431 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.928 6.993 6.877 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.884 8.075 7.340 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.434 7.944 8.453 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.085 9.052 6.588 1.00 0.00 O ATOM 0 H GLU A 97 -13.515 7.704 5.330 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.438 9.260 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.944 6.278 7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.583 7.280 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.887 6.991 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.311 6.020 7.183 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.385 8.710 7.075 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.158 8.970 7.807 1.00 0.00 C ATOM 1584 C GLY A 98 -10.638 7.733 8.504 1.00 0.00 C ATOM 1585 O GLY A 98 -11.186 6.643 8.341 1.00 0.00 O ATOM 0 H GLY A 98 -12.266 8.561 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.399 9.344 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.335 9.753 8.544 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.581 7.903 9.284 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.977 6.790 9.998 1.00 0.00 C ATOM 1591 C ILE A 99 -9.289 6.843 11.488 1.00 0.00 C ATOM 1592 O ILE A 99 -9.441 7.919 12.066 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.455 6.778 9.797 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.114 7.146 8.350 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.891 5.411 10.157 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.640 7.404 8.120 1.00 0.00 C ATOM 0 H ILE A 99 -9.124 8.802 9.438 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.405 5.876 9.587 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.001 7.519 10.455 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.440 6.340 7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.678 8.035 8.068 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.811 5.413 10.011 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.116 5.188 11.200 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.342 4.652 9.518 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.474 7.659 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.312 8.230 8.751 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.071 6.509 8.370 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.382 5.668 12.102 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.679 5.563 13.526 1.00 0.00 C ATOM 1610 C LYS A 100 -8.701 4.610 14.209 1.00 0.00 C ATOM 1611 O LYS A 100 -8.092 3.765 13.558 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.116 5.078 13.730 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.104 5.674 12.742 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.510 5.153 12.981 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.511 6.290 13.078 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.887 5.798 13.363 1.00 0.00 N ATOM 0 H LYS A 100 -9.255 4.771 11.633 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.571 6.550 13.975 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.140 3.992 13.644 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.434 5.325 14.743 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -12.097 6.760 12.829 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.793 5.434 11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.795 4.483 12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.532 4.567 13.900 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.202 6.979 13.864 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.513 6.852 12.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.539 6.606 13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.193 5.160 12.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.891 5.284 14.267 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.535 4.741 15.535 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.624 3.888 16.310 1.00 0.00 C ATOM 1632 C PRO A 101 -7.933 2.400 16.155 1.00 0.00 C ATOM 1633 O PRO A 101 -7.028 1.583 15.984 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.869 4.330 17.756 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.401 5.716 17.643 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.213 5.737 16.384 1.00 0.00 C ATOM 0 HA PRO A 101 -6.591 3.998 15.979 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.580 3.672 18.256 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.948 4.306 18.339 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.013 5.972 18.508 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.591 6.444 17.599 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.253 5.468 16.570 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.217 6.725 15.923 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.214 2.060 16.216 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.652 0.670 16.097 1.00 0.00 C ATOM 1646 C GLU A 102 -9.325 0.080 14.725 1.00 0.00 C ATOM 1647 O GLU A 102 -9.385 -1.135 14.538 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.150 0.571 16.357 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.957 1.518 15.500 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.447 1.428 15.763 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.120 0.616 15.093 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.941 2.169 16.638 1.00 0.00 O ATOM 0 H GLU A 102 -9.973 2.729 16.348 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.108 0.092 16.844 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.480 -0.451 16.170 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.346 0.782 17.408 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.622 2.539 15.682 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.765 1.302 14.449 1.00 0.00 H new ATOM 1659 N ASN A 103 -8.981 0.939 13.770 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.656 0.485 12.420 1.00 0.00 C ATOM 1661 C ASN A 103 -7.439 -0.434 12.425 1.00 0.00 C ATOM 1662 O ASN A 103 -6.454 -0.174 13.117 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.400 1.679 11.498 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.652 2.494 11.227 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.747 3.184 10.214 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.625 2.414 12.128 1.00 0.00 N ATOM 0 H ASN A 103 -8.920 1.948 13.904 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.511 -0.078 12.046 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.643 2.323 11.947 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.994 1.321 10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.490 2.937 11.992 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.507 1.830 12.956 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.519 -1.509 11.648 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.438 -2.472 11.546 1.00 0.00 C ATOM 1675 C GLU A 104 -5.163 -1.816 11.023 1.00 0.00 C ATOM 1676 O GLU A 104 -5.137 -0.617 10.755 1.00 0.00 O ATOM 1677 CB GLU A 104 -6.863 -3.615 10.627 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.271 -4.950 11.018 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.092 -6.123 10.521 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.003 -6.563 11.255 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -6.825 -6.603 9.399 1.00 0.00 O ATOM 0 H GLU A 104 -8.333 -1.733 11.075 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.224 -2.864 12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.950 -3.692 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.566 -3.379 9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.259 -5.025 10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.190 -5.003 12.104 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.111 -2.612 10.880 1.00 0.00 N ATOM 1689 CA ARG A 105 -2.825 -2.114 10.401 1.00 0.00 C ATOM 1690 C ARG A 105 -1.948 -3.276 9.939 1.00 0.00 C ATOM 1691 O ARG A 105 -2.224 -4.425 10.262 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.136 -1.321 11.527 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.615 -1.439 11.566 1.00 0.00 C ATOM 1694 CD ARG A 105 0.053 -0.294 10.824 1.00 0.00 C ATOM 1695 NE ARG A 105 1.382 0.003 11.358 1.00 0.00 N ATOM 1696 CZ ARG A 105 1.963 1.195 11.272 1.00 0.00 C ATOM 1697 NH1 ARG A 105 1.334 2.202 10.679 1.00 0.00 N ATOM 1698 NH2 ARG A 105 3.173 1.383 11.780 1.00 0.00 N ATOM 0 H ARG A 105 -4.122 -3.610 11.090 1.00 0.00 H new ATOM 0 HA ARG A 105 -2.983 -1.453 9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.401 -0.269 11.423 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.535 -1.657 12.484 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.277 -1.449 12.602 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.311 -2.387 11.123 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.135 -0.546 9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.572 0.596 10.892 1.00 0.00 H new ATOM 0 HE ARG A 105 1.892 -0.748 11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.402 2.062 10.288 1.00 0.00 H new ATOM 0 HH12 ARG A 105 1.782 3.116 10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.659 0.612 12.238 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.618 2.299 11.713 1.00 0.00 H new ATOM 1712 N TYR A 106 -0.916 -2.969 9.155 1.00 0.00 N ATOM 1713 CA TYR A 106 0.021 -3.987 8.679 1.00 0.00 C ATOM 1714 C TYR A 106 1.392 -3.369 8.442 1.00 0.00 C ATOM 1715 O TYR A 106 1.563 -2.520 7.567 1.00 0.00 O ATOM 1716 CB TYR A 106 -0.488 -4.672 7.407 1.00 0.00 C ATOM 1717 CG TYR A 106 0.499 -5.643 6.804 1.00 0.00 C ATOM 1718 CD1 TYR A 106 1.542 -5.206 5.997 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.382 -7.002 7.046 1.00 0.00 C ATOM 1720 CE1 TYR A 106 2.440 -6.099 5.450 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.274 -7.901 6.504 1.00 0.00 C ATOM 1722 CZ TYR A 106 2.303 -7.448 5.706 1.00 0.00 C ATOM 1723 OH TYR A 106 3.195 -8.344 5.163 1.00 0.00 O ATOM 0 H TYR A 106 -0.707 -2.023 8.835 1.00 0.00 H new ATOM 0 HA TYR A 106 0.105 -4.752 9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.412 -5.202 7.636 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.732 -3.910 6.667 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.651 -4.151 5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.422 -7.363 7.670 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.246 -5.744 4.825 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.168 -8.957 6.703 1.00 0.00 H new ATOM 0 HH TYR A 106 2.957 -9.253 5.442 1.00 0.00 H new ATOM 1733 N THR A 107 2.366 -3.806 9.229 1.00 0.00 N ATOM 1734 CA THR A 107 3.720 -3.296 9.137 1.00 0.00 C ATOM 1735 C THR A 107 4.658 -4.282 8.444 1.00 0.00 C ATOM 1736 O THR A 107 4.672 -5.466 8.769 1.00 0.00 O ATOM 1737 CB THR A 107 4.256 -3.010 10.544 1.00 0.00 C ATOM 1738 OG1 THR A 107 3.552 -3.805 11.506 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.113 -1.536 10.894 1.00 0.00 C ATOM 0 H THR A 107 2.237 -4.521 9.945 1.00 0.00 H new ATOM 0 HA THR A 107 3.686 -2.383 8.543 1.00 0.00 H new ATOM 0 HB THR A 107 5.315 -3.267 10.563 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.901 -3.618 12.403 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.501 -1.361 11.897 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.675 -0.936 10.178 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.061 -1.254 10.858 1.00 0.00 H new ATOM 1747 N LEU A 108 5.440 -3.788 7.484 1.00 0.00 N ATOM 1748 CA LEU A 108 6.391 -4.640 6.773 1.00 0.00 C ATOM 1749 C LEU A 108 7.804 -4.427 7.308 1.00 0.00 C ATOM 1750 O LEU A 108 8.408 -3.371 7.108 1.00 0.00 O ATOM 1751 CB LEU A 108 6.348 -4.387 5.267 1.00 0.00 C ATOM 1752 CG LEU A 108 7.169 -5.364 4.422 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.766 -6.803 4.714 1.00 0.00 C ATOM 1754 CD2 LEU A 108 7.006 -5.057 2.943 1.00 0.00 C ATOM 0 H LEU A 108 5.434 -2.813 7.184 1.00 0.00 H new ATOM 0 HA LEU A 108 6.102 -5.677 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.310 -4.428 4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.704 -3.375 5.074 1.00 0.00 H new ATOM 0 HG LEU A 108 8.219 -5.243 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.363 -7.479 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.936 -7.022 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.710 -6.939 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.597 -5.762 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.956 -5.147 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.349 -4.042 2.742 1.00 0.00 H new ATOM 1766 N HIS A 109 8.299 -5.455 7.990 1.00 0.00 N ATOM 1767 CA HIS A 109 9.622 -5.476 8.618 1.00 0.00 C ATOM 1768 C HIS A 109 10.781 -5.171 7.665 1.00 0.00 C ATOM 1769 O HIS A 109 11.583 -6.062 7.400 1.00 0.00 O ATOM 1770 CB HIS A 109 9.834 -6.875 9.206 1.00 0.00 C ATOM 1771 CG HIS A 109 9.479 -7.982 8.260 1.00 0.00 C ATOM 1772 ND1 HIS A 109 10.409 -8.622 7.469 1.00 0.00 N ATOM 1773 CD2 HIS A 109 8.289 -8.569 7.986 1.00 0.00 C ATOM 1774 CE1 HIS A 109 9.807 -9.551 6.748 1.00 0.00 C ATOM 1775 NE2 HIS A 109 8.521 -9.539 7.044 1.00 0.00 N ATOM 0 H HIS A 109 7.779 -6.322 8.127 1.00 0.00 H new ATOM 0 HA HIS A 109 9.631 -4.687 9.370 1.00 0.00 H new ATOM 0 HB2 HIS A 109 10.878 -6.982 9.502 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.234 -6.975 10.111 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.335 -8.320 8.427 1.00 0.00 H new ATOM 0 HE1 HIS A 109 10.286 -10.208 6.037 1.00 0.00 H new ATOM 0 HE2 HIS A 109 7.814 -10.152 6.638 1.00 0.00 H new ATOM 1784 N LEU A 110 10.937 -3.917 7.217 1.00 0.00 N ATOM 1785 CA LEU A 110 12.022 -3.595 6.284 1.00 0.00 C ATOM 1786 C LEU A 110 13.085 -2.685 6.898 1.00 0.00 C ATOM 1787 O LEU A 110 13.192 -1.512 6.536 1.00 0.00 O ATOM 1788 CB LEU A 110 11.479 -2.938 5.014 1.00 0.00 C ATOM 1789 CG LEU A 110 10.271 -3.628 4.380 1.00 0.00 C ATOM 1790 CD1 LEU A 110 9.711 -2.776 3.252 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.653 -5.009 3.871 1.00 0.00 C ATOM 0 H LEU A 110 10.343 -3.130 7.477 1.00 0.00 H new ATOM 0 HA LEU A 110 12.493 -4.547 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.207 -1.909 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.280 -2.897 4.276 1.00 0.00 H new ATOM 0 HG LEU A 110 9.498 -3.747 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.851 -3.279 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.402 -1.808 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.478 -2.630 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.781 -5.486 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.440 -4.916 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.012 -5.617 4.702 1.00 0.00 H new ATOM 1803 N ASN A 111 13.868 -3.223 7.824 1.00 0.00 N ATOM 1804 CA ASN A 111 14.949 -2.464 8.445 1.00 0.00 C ATOM 1805 C ASN A 111 16.164 -2.503 7.525 1.00 0.00 C ATOM 1806 O ASN A 111 17.235 -2.983 7.898 1.00 0.00 O ATOM 1807 CB ASN A 111 15.291 -3.040 9.824 1.00 0.00 C ATOM 1808 CG ASN A 111 16.473 -2.349 10.477 1.00 0.00 C ATOM 1809 OD1 ASN A 111 16.695 -1.090 10.124 1.00 0.00 O flip ATOM 1810 ND2 ASN A 111 17.183 -2.944 11.288 1.00 0.00 N flip ATOM 0 H ASN A 111 13.776 -4.181 8.162 1.00 0.00 H new ATOM 0 HA ASN A 111 14.635 -1.430 8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.421 -2.952 10.475 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.508 -4.103 9.724 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.977 -3.913 11.532 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.977 -2.468 11.716 1.00 0.00 H new ATOM 1817 N VAL A 112 15.972 -1.984 6.317 1.00 0.00 N ATOM 1818 CA VAL A 112 16.999 -1.969 5.292 1.00 0.00 C ATOM 1819 C VAL A 112 18.378 -1.637 5.849 1.00 0.00 C ATOM 1820 O VAL A 112 18.518 -0.798 6.739 1.00 0.00 O ATOM 1821 CB VAL A 112 16.643 -0.956 4.191 1.00 0.00 C ATOM 1822 CG1 VAL A 112 15.787 -1.611 3.127 1.00 0.00 C ATOM 1823 CG2 VAL A 112 15.928 0.249 4.780 1.00 0.00 C ATOM 0 H VAL A 112 15.092 -1.560 6.024 1.00 0.00 H new ATOM 0 HA VAL A 112 17.039 -2.977 4.878 1.00 0.00 H new ATOM 0 HB VAL A 112 17.569 -0.612 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 112 15.544 -0.881 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 112 16.333 -2.442 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 112 14.867 -1.982 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 112 15.685 0.953 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 112 15.010 -0.076 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 112 16.575 0.735 5.510 1.00 0.00 H new ATOM 1833 N LYS A 113 19.396 -2.308 5.316 1.00 0.00 N ATOM 1834 CA LYS A 113 20.770 -2.089 5.747 1.00 0.00 C ATOM 1835 C LYS A 113 21.549 -1.289 4.708 1.00 0.00 C ATOM 1836 O LYS A 113 22.058 -1.905 3.748 1.00 0.00 O ATOM 1837 CB LYS A 113 21.454 -3.429 5.997 1.00 0.00 C ATOM 1838 CG LYS A 113 20.809 -4.235 7.109 1.00 0.00 C ATOM 1839 CD LYS A 113 21.227 -3.722 8.479 1.00 0.00 C ATOM 1840 CE LYS A 113 20.572 -4.516 9.597 1.00 0.00 C ATOM 1841 NZ LYS A 113 20.942 -5.957 9.547 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.646 -0.053 4.864 1.00 0.00 O ATOM 0 H LYS A 113 19.292 -3.010 4.583 1.00 0.00 H new ATOM 0 HA LYS A 113 20.752 -1.514 6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 113 21.438 -4.014 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.501 -3.254 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.724 -4.185 7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.089 -5.284 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.311 -3.783 8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.957 -2.670 8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 113 20.868 -4.099 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.489 -4.417 9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.544 -6.447 10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.563 -6.383 8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.978 -6.050 9.555 1.00 0.00 H new TER 1856 LYS A 113