USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 972 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 25 CYS SG : rot 66:sc= -0.61 USER MOD Set 1.2: A 131 TYR OH : rot 165:sc= 1.43 USER MOD Set 2.1: A 92 GLN : amide:sc= 0.536 K(o=1,f=-0.96) USER MOD Set 2.2: A 103 GLN : amide:sc= 0.504 K(o=1,f=-1.8) USER MOD Set 3.1: A 52 CYS SG : rot 180:sc= 0.451 USER MOD Set 3.2: A 67 THR OG1 : rot 108:sc= 1.68 USER MOD Set 4.1: A 38 THR OG1 : rot 180:sc= -1.82! USER MOD Set 4.2: A 41 SER OG : rot -120:sc= 0 USER MOD Set 5.1: A 30 ASN : amide:sc= -0.604 K(o=-2.5,f=-3.8) USER MOD Set 5.2: A 53 HIS : no HE2:sc= -1.87 K(o=-2.5,f=-8.6!) USER MOD Set 5.3: A 55 MET CE :methyl 146:sc= 0 (180deg=-1.58!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.299 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 35:sc= 0.0078 USER MOD Single : A 8 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=-0.39) USER MOD Single : A 11 GLN : amide:sc= -2.4! C(o=-2.4!,f=-7.2!) USER MOD Single : A 21 ASN : amide:sc= 0.198 X(o=0.2,f=-0.078) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0952 USER MOD Single : A 34 SER OG : rot -30:sc= 0.169 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00849 USER MOD Single : A 54 HIS : no HE2:sc= 0.281 K(o=0.28,f=-0.96) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00433 USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00094 USER MOD Single : A 80 SER OG : rot -113:sc= 0.522 USER MOD Single : A 83 MET CE :methyl -163:sc= 0 (180deg=-0.134) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 79:sc= 0.556 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 33:sc= 0.0752 USER MOD Single : A 116 GLN : amide:sc=-0.00834 X(o=-0.0083,f=-0.43) USER MOD Single : A 117 GLN : amide:sc= 1.27 K(o=1.3,f=-6.6!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 122 GLN : amide:sc= -0.921! C(o=-0.92!,f=-5.1!) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.574 17.122 4.049 1.00 0.00 N ATOM 2 CA MET A 1 5.929 16.719 5.324 1.00 0.00 C ATOM 3 C MET A 1 5.561 15.240 5.252 1.00 0.00 C ATOM 4 O MET A 1 4.650 14.885 4.533 1.00 0.00 O ATOM 5 CB MET A 1 4.648 17.568 5.590 1.00 0.00 C ATOM 6 CG MET A 1 3.863 17.178 6.854 1.00 0.00 C ATOM 7 SD MET A 1 2.260 18.002 6.980 1.00 0.00 S ATOM 8 CE MET A 1 1.575 17.233 8.451 1.00 0.00 C ATOM 0 H1 MET A 1 7.479 17.592 4.251 1.00 0.00 H new ATOM 0 H2 MET A 1 6.745 16.279 3.465 1.00 0.00 H new ATOM 0 H3 MET A 1 5.950 17.778 3.536 1.00 0.00 H new ATOM 0 HA MET A 1 6.628 16.890 6.143 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.935 18.617 5.667 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.987 17.481 4.728 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.711 16.099 6.861 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.459 17.421 7.733 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.586 17.645 8.650 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.495 16.157 8.295 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.228 17.429 9.302 1.00 0.00 H new ATOM 20 N LYS A 2 6.265 14.385 5.993 1.00 0.00 N ATOM 21 CA LYS A 2 5.978 12.939 6.001 1.00 0.00 C ATOM 22 C LYS A 2 4.989 12.598 7.130 1.00 0.00 C ATOM 23 O LYS A 2 5.149 13.049 8.273 1.00 0.00 O ATOM 24 CB LYS A 2 7.278 12.107 6.135 1.00 0.00 C ATOM 25 CG LYS A 2 8.129 12.426 7.382 1.00 0.00 C ATOM 26 CD LYS A 2 9.256 11.404 7.608 1.00 0.00 C ATOM 27 CE LYS A 2 10.229 11.295 6.428 1.00 0.00 C ATOM 28 NZ LYS A 2 10.966 12.563 6.181 1.00 0.00 N ATOM 0 H LYS A 2 7.039 14.662 6.597 1.00 0.00 H new ATOM 0 HA LYS A 2 5.520 12.679 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.015 11.049 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.888 12.268 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.562 13.421 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.484 12.450 8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.813 11.681 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.815 10.425 7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.943 10.495 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.677 11.018 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.610 12.438 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.288 13.323 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.515 12.816 7.027 1.00 0.00 H new ATOM 42 N ILE A 3 3.940 11.852 6.781 1.00 0.00 N ATOM 43 CA ILE A 3 2.977 11.303 7.745 1.00 0.00 C ATOM 44 C ILE A 3 3.234 9.798 7.926 1.00 0.00 C ATOM 45 O ILE A 3 3.305 9.060 6.939 1.00 0.00 O ATOM 46 CB ILE A 3 1.497 11.514 7.269 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.193 13.027 7.029 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.499 10.891 8.273 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.196 13.306 6.485 1.00 0.00 C ATOM 0 H ILE A 3 3.730 11.608 5.813 1.00 0.00 H new ATOM 0 HA ILE A 3 3.112 11.831 8.689 1.00 0.00 H new ATOM 0 HB ILE A 3 1.374 10.999 6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.317 13.564 7.969 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.930 13.428 6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.520 11.051 7.920 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.690 9.821 8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.623 11.361 9.249 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.324 14.380 6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.320 12.800 5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.943 12.939 7.189 1.00 0.00 H new ATOM 61 N SER A 4 3.353 9.360 9.186 1.00 0.00 N ATOM 62 CA SER A 4 3.499 7.943 9.540 1.00 0.00 C ATOM 63 C SER A 4 2.142 7.393 10.029 1.00 0.00 C ATOM 64 O SER A 4 1.540 7.934 10.967 1.00 0.00 O ATOM 65 CB SER A 4 4.617 7.793 10.603 1.00 0.00 C ATOM 66 OG SER A 4 4.489 8.762 11.631 1.00 0.00 O ATOM 0 H SER A 4 3.351 9.983 9.993 1.00 0.00 H new ATOM 0 HA SER A 4 3.793 7.357 8.669 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.577 6.794 11.036 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.591 7.894 10.125 1.00 0.00 H new ATOM 0 HG SER A 4 3.539 8.932 11.804 1.00 0.00 H new ATOM 72 N ILE A 5 1.650 6.366 9.326 1.00 0.00 N ATOM 73 CA ILE A 5 0.442 5.596 9.673 1.00 0.00 C ATOM 74 C ILE A 5 0.849 4.141 9.980 1.00 0.00 C ATOM 75 O ILE A 5 1.920 3.699 9.552 1.00 0.00 O ATOM 76 CB ILE A 5 -0.594 5.601 8.482 1.00 0.00 C ATOM 77 CG1 ILE A 5 0.035 4.990 7.185 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.139 7.025 8.218 1.00 0.00 C ATOM 79 CD1 ILE A 5 -0.931 4.764 6.033 1.00 0.00 C ATOM 0 H ILE A 5 2.095 6.034 8.470 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.028 6.056 10.542 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.436 4.973 8.774 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.833 5.650 6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.498 4.037 7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.850 6.995 7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.638 7.395 9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.313 7.689 7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.393 4.339 5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.717 4.077 6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.376 5.715 5.740 1.00 0.00 H new ATOM 91 N GLU A 6 -0.007 3.388 10.697 1.00 0.00 N ATOM 92 CA GLU A 6 0.314 1.999 11.088 1.00 0.00 C ATOM 93 C GLU A 6 -0.944 1.124 11.263 1.00 0.00 C ATOM 94 O GLU A 6 -2.071 1.626 11.316 1.00 0.00 O ATOM 95 CB GLU A 6 1.176 1.984 12.380 1.00 0.00 C ATOM 96 CG GLU A 6 0.499 2.582 13.632 1.00 0.00 C ATOM 97 CD GLU A 6 1.368 2.473 14.889 1.00 0.00 C ATOM 98 OE1 GLU A 6 2.358 3.229 15.011 1.00 0.00 O ATOM 99 OE2 GLU A 6 1.097 1.603 15.752 1.00 0.00 O ATOM 0 H GLU A 6 -0.920 3.714 11.016 1.00 0.00 H new ATOM 0 HA GLU A 6 0.888 1.563 10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.458 0.954 12.597 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.098 2.533 12.188 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.266 3.631 13.447 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.448 2.071 13.806 1.00 0.00 H new ATOM 106 N ALA A 7 -0.706 -0.197 11.353 1.00 0.00 N ATOM 107 CA ALA A 7 -1.736 -1.232 11.531 1.00 0.00 C ATOM 108 C ALA A 7 -1.051 -2.527 11.996 1.00 0.00 C ATOM 109 O ALA A 7 -0.122 -2.991 11.333 1.00 0.00 O ATOM 110 CB ALA A 7 -2.505 -1.476 10.214 1.00 0.00 C ATOM 0 H ALA A 7 0.237 -0.583 11.302 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.457 -0.901 12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.261 -2.245 10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.988 -0.551 9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.809 -1.804 9.442 1.00 0.00 H new ATOM 116 N HIS A 8 -1.488 -3.115 13.124 1.00 0.00 N ATOM 117 CA HIS A 8 -0.882 -4.359 13.631 1.00 0.00 C ATOM 118 C HIS A 8 -1.756 -5.547 13.213 1.00 0.00 C ATOM 119 O HIS A 8 -2.899 -5.669 13.657 1.00 0.00 O ATOM 120 CB HIS A 8 -0.699 -4.336 15.170 1.00 0.00 C ATOM 121 CG HIS A 8 0.083 -5.530 15.676 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.322 -6.348 16.711 1.00 0.00 N ATOM 123 CD2 HIS A 8 1.268 -6.032 15.259 1.00 0.00 C ATOM 124 CE1 HIS A 8 0.586 -7.294 16.900 1.00 0.00 C ATOM 125 NE2 HIS A 8 1.558 -7.125 16.030 1.00 0.00 N ATOM 0 H HIS A 8 -2.251 -2.753 13.697 1.00 0.00 H new ATOM 0 HA HIS A 8 0.113 -4.456 13.197 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.184 -3.419 15.458 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.678 -4.316 15.649 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.878 -5.639 14.459 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.536 -8.074 17.645 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.389 -7.711 15.944 1.00 0.00 H new ATOM 134 N ILE A 9 -1.206 -6.407 12.349 1.00 0.00 N ATOM 135 CA ILE A 9 -1.909 -7.574 11.799 1.00 0.00 C ATOM 136 C ILE A 9 -1.359 -8.864 12.441 1.00 0.00 C ATOM 137 O ILE A 9 -0.148 -9.015 12.556 1.00 0.00 O ATOM 138 CB ILE A 9 -1.726 -7.629 10.237 1.00 0.00 C ATOM 139 CG1 ILE A 9 -2.181 -6.283 9.577 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.483 -8.830 9.640 1.00 0.00 C ATOM 141 CD1 ILE A 9 -2.036 -6.225 8.063 1.00 0.00 C ATOM 0 H ILE A 9 -0.250 -6.312 12.007 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.972 -7.488 12.025 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.666 -7.764 10.020 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.225 -6.105 9.834 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.603 -5.469 10.013 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.342 -8.848 8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.098 -9.754 10.072 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.545 -8.739 9.866 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.377 -5.255 7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.990 -6.366 7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.638 -7.013 7.609 1.00 0.00 H new ATOM 153 N GLU A 10 -2.249 -9.791 12.844 1.00 0.00 N ATOM 154 CA GLU A 10 -1.857 -11.081 13.458 1.00 0.00 C ATOM 155 C GLU A 10 -1.579 -12.147 12.364 1.00 0.00 C ATOM 156 O GLU A 10 -2.254 -13.178 12.265 1.00 0.00 O ATOM 157 CB GLU A 10 -2.944 -11.545 14.484 1.00 0.00 C ATOM 158 CG GLU A 10 -4.385 -11.602 13.933 1.00 0.00 C ATOM 159 CD GLU A 10 -5.399 -12.142 14.952 1.00 0.00 C ATOM 160 OE1 GLU A 10 -5.370 -13.360 15.225 1.00 0.00 O ATOM 161 OE2 GLU A 10 -6.224 -11.367 15.480 1.00 0.00 O ATOM 0 H GLU A 10 -3.258 -9.670 12.755 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.927 -10.947 14.011 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.674 -12.534 14.853 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.925 -10.870 15.339 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.689 -10.602 13.622 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.403 -12.231 13.043 1.00 0.00 H new ATOM 168 N GLN A 11 -0.577 -11.861 11.524 1.00 0.00 N ATOM 169 CA GLN A 11 -0.160 -12.742 10.404 1.00 0.00 C ATOM 170 C GLN A 11 1.351 -12.681 10.228 1.00 0.00 C ATOM 171 O GLN A 11 2.014 -11.791 10.764 1.00 0.00 O ATOM 172 CB GLN A 11 -0.886 -12.354 9.062 1.00 0.00 C ATOM 173 CG GLN A 11 -1.941 -13.366 8.559 1.00 0.00 C ATOM 174 CD GLN A 11 -1.391 -14.716 8.089 1.00 0.00 C ATOM 175 OE1 GLN A 11 -0.402 -15.236 8.595 1.00 0.00 O ATOM 176 NE2 GLN A 11 -2.018 -15.281 7.083 1.00 0.00 N ATOM 0 H GLN A 11 -0.023 -11.008 11.595 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.451 -13.763 10.652 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.371 -11.387 9.198 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.132 -12.226 8.285 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.658 -13.545 9.360 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.491 -12.911 7.735 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.839 -14.832 6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.684 -16.169 6.708 1.00 0.00 H new ATOM 185 N GLU A 12 1.868 -13.642 9.456 1.00 0.00 N ATOM 186 CA GLU A 12 3.276 -13.693 9.049 1.00 0.00 C ATOM 187 C GLU A 12 3.614 -12.467 8.182 1.00 0.00 C ATOM 188 O GLU A 12 2.770 -12.011 7.405 1.00 0.00 O ATOM 189 CB GLU A 12 3.522 -15.010 8.263 1.00 0.00 C ATOM 190 CG GLU A 12 4.970 -15.241 7.789 1.00 0.00 C ATOM 191 CD GLU A 12 5.991 -15.369 8.934 1.00 0.00 C ATOM 192 OE1 GLU A 12 6.166 -16.484 9.472 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.634 -14.358 9.292 1.00 0.00 O ATOM 0 H GLU A 12 1.313 -14.416 9.091 1.00 0.00 H new ATOM 0 HA GLU A 12 3.922 -13.675 9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.227 -15.849 8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.867 -15.020 7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.003 -16.147 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.266 -14.415 7.143 1.00 0.00 H new ATOM 200 N ILE A 13 4.845 -11.962 8.320 1.00 0.00 N ATOM 201 CA ILE A 13 5.341 -10.799 7.556 1.00 0.00 C ATOM 202 C ILE A 13 5.289 -11.071 6.040 1.00 0.00 C ATOM 203 O ILE A 13 5.033 -10.172 5.241 1.00 0.00 O ATOM 204 CB ILE A 13 6.798 -10.420 8.010 1.00 0.00 C ATOM 205 CG1 ILE A 13 7.274 -9.096 7.345 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.799 -11.575 7.756 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.642 -8.618 7.794 1.00 0.00 C ATOM 0 H ILE A 13 5.533 -12.347 8.967 1.00 0.00 H new ATOM 0 HA ILE A 13 4.688 -9.952 7.764 1.00 0.00 H new ATOM 0 HB ILE A 13 6.767 -10.254 9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.289 -9.233 6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.543 -8.315 7.557 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.794 -11.273 8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.486 -12.457 8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.823 -11.809 6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.890 -7.690 7.279 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.632 -8.444 8.870 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.388 -9.376 7.556 1.00 0.00 H new ATOM 219 N GLU A 14 5.493 -12.350 5.692 1.00 0.00 N ATOM 220 CA GLU A 14 5.453 -12.858 4.316 1.00 0.00 C ATOM 221 C GLU A 14 4.011 -12.874 3.778 1.00 0.00 C ATOM 222 O GLU A 14 3.790 -12.648 2.588 1.00 0.00 O ATOM 223 CB GLU A 14 6.067 -14.280 4.286 1.00 0.00 C ATOM 224 CG GLU A 14 7.493 -14.354 4.871 1.00 0.00 C ATOM 225 CD GLU A 14 8.047 -15.781 4.940 1.00 0.00 C ATOM 226 OE1 GLU A 14 7.741 -16.496 5.914 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.769 -16.202 4.015 1.00 0.00 O ATOM 0 H GLU A 14 5.695 -13.077 6.378 1.00 0.00 H new ATOM 0 HA GLU A 14 6.034 -12.199 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.420 -14.957 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.088 -14.635 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.160 -13.742 4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.490 -13.924 5.873 1.00 0.00 H new ATOM 234 N ALA A 15 3.043 -13.159 4.671 1.00 0.00 N ATOM 235 CA ALA A 15 1.603 -13.187 4.332 1.00 0.00 C ATOM 236 C ALA A 15 1.082 -11.771 4.054 1.00 0.00 C ATOM 237 O ALA A 15 0.388 -11.529 3.058 1.00 0.00 O ATOM 238 CB ALA A 15 0.796 -13.838 5.467 1.00 0.00 C ATOM 0 H ALA A 15 3.236 -13.377 5.649 1.00 0.00 H new ATOM 0 HA ALA A 15 1.478 -13.783 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.261 -13.850 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.143 -14.860 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.933 -13.266 6.385 1.00 0.00 H new ATOM 244 N VAL A 16 1.432 -10.849 4.963 1.00 0.00 N ATOM 245 CA VAL A 16 1.074 -9.425 4.867 1.00 0.00 C ATOM 246 C VAL A 16 1.697 -8.802 3.598 1.00 0.00 C ATOM 247 O VAL A 16 1.015 -8.100 2.841 1.00 0.00 O ATOM 248 CB VAL A 16 1.546 -8.653 6.152 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.253 -7.147 6.048 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.905 -9.251 7.429 1.00 0.00 C ATOM 0 H VAL A 16 1.978 -11.073 5.795 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.010 -9.341 4.797 1.00 0.00 H new ATOM 0 HB VAL A 16 2.627 -8.775 6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.593 -6.647 6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.777 -6.733 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.181 -6.992 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.249 -8.697 8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.180 -9.180 7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.194 -10.297 7.526 1.00 0.00 H new ATOM 260 N TRP A 17 2.991 -9.100 3.376 1.00 0.00 N ATOM 261 CA TRP A 17 3.736 -8.672 2.173 1.00 0.00 C ATOM 262 C TRP A 17 3.054 -9.189 0.902 1.00 0.00 C ATOM 263 O TRP A 17 2.857 -8.430 -0.053 1.00 0.00 O ATOM 264 CB TRP A 17 5.194 -9.192 2.225 1.00 0.00 C ATOM 265 CG TRP A 17 6.037 -8.852 1.005 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.190 -9.596 -0.135 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.860 -7.696 0.829 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.020 -8.950 -1.011 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.463 -7.795 -0.435 1.00 0.00 C ATOM 270 CE3 TRP A 17 7.146 -6.588 1.623 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.332 -6.825 -0.922 1.00 0.00 C ATOM 272 CZ3 TRP A 17 8.012 -5.635 1.146 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.596 -5.758 -0.121 1.00 0.00 C ATOM 0 H TRP A 17 3.553 -9.647 4.028 1.00 0.00 H new ATOM 0 HA TRP A 17 3.745 -7.582 2.153 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.680 -8.782 3.110 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.174 -10.275 2.345 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.724 -10.553 -0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.268 -9.279 -1.944 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.694 -6.480 2.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.781 -6.915 -1.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.247 -4.777 1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.270 -4.989 -0.469 1.00 0.00 H new ATOM 284 N TRP A 18 2.707 -10.492 0.913 1.00 0.00 N ATOM 285 CA TRP A 18 2.078 -11.169 -0.230 1.00 0.00 C ATOM 286 C TRP A 18 0.790 -10.439 -0.621 1.00 0.00 C ATOM 287 O TRP A 18 0.649 -10.000 -1.749 1.00 0.00 O ATOM 288 CB TRP A 18 1.789 -12.658 0.099 1.00 0.00 C ATOM 289 CG TRP A 18 1.132 -13.423 -1.032 1.00 0.00 C ATOM 290 CD1 TRP A 18 1.743 -13.957 -2.137 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.267 -13.728 -1.169 1.00 0.00 C ATOM 292 NE1 TRP A 18 0.813 -14.558 -2.945 1.00 0.00 N ATOM 293 CE2 TRP A 18 -0.423 -14.435 -2.372 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.398 -13.469 -0.386 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -1.664 -14.885 -2.813 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -2.628 -13.916 -0.825 1.00 0.00 C ATOM 297 CH2 TRP A 18 -2.752 -14.620 -2.029 1.00 0.00 C ATOM 0 H TRP A 18 2.857 -11.101 1.717 1.00 0.00 H new ATOM 0 HA TRP A 18 2.767 -11.144 -1.074 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.726 -13.150 0.361 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.147 -12.707 0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.803 -13.911 -2.341 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.011 -15.022 -3.831 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.310 -12.929 0.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.764 -15.425 -3.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.508 -13.720 -0.231 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.727 -14.961 -2.345 1.00 0.00 H new ATOM 308 N ALA A 19 -0.097 -10.252 0.365 1.00 0.00 N ATOM 309 CA ALA A 19 -1.393 -9.579 0.168 1.00 0.00 C ATOM 310 C ALA A 19 -1.232 -8.093 -0.232 1.00 0.00 C ATOM 311 O ALA A 19 -2.154 -7.496 -0.790 1.00 0.00 O ATOM 312 CB ALA A 19 -2.249 -9.716 1.433 1.00 0.00 C ATOM 0 H ALA A 19 0.061 -10.562 1.324 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.898 -10.071 -0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.206 -9.216 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.420 -10.772 1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.730 -9.258 2.275 1.00 0.00 H new ATOM 318 N TRP A 20 -0.063 -7.507 0.075 1.00 0.00 N ATOM 319 CA TRP A 20 0.263 -6.114 -0.283 1.00 0.00 C ATOM 320 C TRP A 20 0.556 -5.993 -1.800 1.00 0.00 C ATOM 321 O TRP A 20 0.080 -5.056 -2.456 1.00 0.00 O ATOM 322 CB TRP A 20 1.476 -5.623 0.560 1.00 0.00 C ATOM 323 CG TRP A 20 1.796 -4.145 0.430 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.648 -3.545 -0.462 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.265 -3.084 1.240 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.663 -2.185 -0.258 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.827 -1.879 0.783 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.364 -3.043 2.304 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.514 -0.649 1.358 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.056 -1.826 2.875 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.630 -0.641 2.403 1.00 0.00 C ATOM 0 H TRP A 20 0.684 -7.985 0.579 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.596 -5.481 -0.059 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.283 -5.846 1.609 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.356 -6.196 0.269 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.223 -4.065 -1.214 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.209 -1.512 -0.796 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.086 -3.952 2.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.954 0.267 0.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.640 -1.787 3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.371 0.297 2.871 1.00 0.00 H new ATOM 342 N ASN A 21 1.344 -6.944 -2.350 1.00 0.00 N ATOM 343 CA ASN A 21 1.816 -6.868 -3.760 1.00 0.00 C ATOM 344 C ASN A 21 0.955 -7.718 -4.723 1.00 0.00 C ATOM 345 O ASN A 21 0.989 -7.495 -5.939 1.00 0.00 O ATOM 346 CB ASN A 21 3.320 -7.275 -3.878 1.00 0.00 C ATOM 347 CG ASN A 21 3.593 -8.771 -3.657 1.00 0.00 C ATOM 348 OD1 ASN A 21 3.527 -9.573 -4.589 1.00 0.00 O ATOM 349 ND2 ASN A 21 3.937 -9.150 -2.445 1.00 0.00 N ATOM 0 H ASN A 21 1.667 -7.770 -1.846 1.00 0.00 H new ATOM 0 HA ASN A 21 1.709 -5.826 -4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.683 -6.994 -4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.897 -6.702 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.157 -10.129 -2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.984 -8.465 -1.691 1.00 0.00 H new ATOM 356 N ASP A 22 0.205 -8.700 -4.186 1.00 0.00 N ATOM 357 CA ASP A 22 -0.586 -9.657 -5.000 1.00 0.00 C ATOM 358 C ASP A 22 -1.778 -8.954 -5.676 1.00 0.00 C ATOM 359 O ASP A 22 -2.616 -8.398 -4.974 1.00 0.00 O ATOM 360 CB ASP A 22 -1.084 -10.844 -4.126 1.00 0.00 C ATOM 361 CG ASP A 22 -1.901 -11.872 -4.925 1.00 0.00 C ATOM 362 OD1 ASP A 22 -1.298 -12.731 -5.600 1.00 0.00 O ATOM 363 OD2 ASP A 22 -3.147 -11.830 -4.888 1.00 0.00 O ATOM 0 H ASP A 22 0.127 -8.856 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 22 0.066 -10.050 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.226 -11.341 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.694 -10.457 -3.310 1.00 0.00 H new ATOM 368 N PRO A 23 -1.888 -8.997 -7.044 1.00 0.00 N ATOM 369 CA PRO A 23 -2.917 -8.234 -7.804 1.00 0.00 C ATOM 370 C PRO A 23 -4.366 -8.604 -7.414 1.00 0.00 C ATOM 371 O PRO A 23 -5.240 -7.730 -7.402 1.00 0.00 O ATOM 372 CB PRO A 23 -2.621 -8.583 -9.290 1.00 0.00 C ATOM 373 CG PRO A 23 -1.841 -9.855 -9.243 1.00 0.00 C ATOM 374 CD PRO A 23 -1.031 -9.787 -7.971 1.00 0.00 C ATOM 0 HA PRO A 23 -2.855 -7.166 -7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.544 -8.707 -9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.053 -7.790 -9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.503 -10.721 -9.240 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.194 -9.951 -10.115 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.825 -10.781 -7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.068 -9.303 -8.136 1.00 0.00 H new ATOM 382 N ASP A 24 -4.599 -9.897 -7.082 1.00 0.00 N ATOM 383 CA ASP A 24 -5.940 -10.396 -6.690 1.00 0.00 C ATOM 384 C ASP A 24 -6.353 -9.795 -5.341 1.00 0.00 C ATOM 385 O ASP A 24 -7.501 -9.382 -5.164 1.00 0.00 O ATOM 386 CB ASP A 24 -5.958 -11.942 -6.614 1.00 0.00 C ATOM 387 CG ASP A 24 -7.340 -12.532 -6.266 1.00 0.00 C ATOM 388 OD1 ASP A 24 -8.198 -12.628 -7.164 1.00 0.00 O ATOM 389 OD2 ASP A 24 -7.575 -12.915 -5.098 1.00 0.00 O ATOM 0 H ASP A 24 -3.874 -10.615 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.655 -10.086 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.631 -12.347 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.235 -12.268 -5.866 1.00 0.00 H new ATOM 394 N CYS A 25 -5.396 -9.732 -4.414 1.00 0.00 N ATOM 395 CA CYS A 25 -5.586 -9.091 -3.108 1.00 0.00 C ATOM 396 C CYS A 25 -5.873 -7.591 -3.288 1.00 0.00 C ATOM 397 O CYS A 25 -6.792 -7.059 -2.681 1.00 0.00 O ATOM 398 CB CYS A 25 -4.334 -9.305 -2.243 1.00 0.00 C ATOM 399 SG CYS A 25 -3.969 -11.037 -1.896 1.00 0.00 S ATOM 0 H CYS A 25 -4.464 -10.125 -4.546 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.442 -9.542 -2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.477 -8.857 -2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.462 -8.775 -1.299 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.655 -11.644 -3.002 1.00 0.00 H new ATOM 405 N ILE A 26 -5.083 -6.939 -4.156 1.00 0.00 N ATOM 406 CA ILE A 26 -5.233 -5.517 -4.534 1.00 0.00 C ATOM 407 C ILE A 26 -6.606 -5.237 -5.203 1.00 0.00 C ATOM 408 O ILE A 26 -7.078 -4.094 -5.218 1.00 0.00 O ATOM 409 CB ILE A 26 -4.030 -5.091 -5.464 1.00 0.00 C ATOM 410 CG1 ILE A 26 -2.673 -5.273 -4.709 1.00 0.00 C ATOM 411 CG2 ILE A 26 -4.159 -3.645 -5.980 1.00 0.00 C ATOM 412 CD1 ILE A 26 -1.440 -5.066 -5.567 1.00 0.00 C ATOM 0 H ILE A 26 -4.302 -7.394 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.208 -4.911 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.056 -5.745 -6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.640 -4.573 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.640 -6.277 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.305 -3.407 -6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.078 -3.545 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.186 -2.958 -5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.546 -5.212 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.443 -5.783 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.443 -4.053 -5.970 1.00 0.00 H new ATOM 424 N ALA A 27 -7.233 -6.275 -5.787 1.00 0.00 N ATOM 425 CA ALA A 27 -8.615 -6.179 -6.308 1.00 0.00 C ATOM 426 C ALA A 27 -9.645 -6.114 -5.162 1.00 0.00 C ATOM 427 O ALA A 27 -10.745 -5.570 -5.334 1.00 0.00 O ATOM 428 CB ALA A 27 -8.911 -7.333 -7.269 1.00 0.00 C ATOM 0 H ALA A 27 -6.806 -7.193 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.702 -5.248 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.932 -7.244 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.215 -7.296 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.797 -8.282 -6.744 1.00 0.00 H new ATOM 434 N ARG A 28 -9.275 -6.666 -3.998 1.00 0.00 N ATOM 435 CA ARG A 28 -10.121 -6.673 -2.796 1.00 0.00 C ATOM 436 C ARG A 28 -9.926 -5.329 -2.040 1.00 0.00 C ATOM 437 O ARG A 28 -10.891 -4.571 -1.870 1.00 0.00 O ATOM 438 CB ARG A 28 -9.747 -7.908 -1.911 1.00 0.00 C ATOM 439 CG ARG A 28 -10.878 -8.502 -1.032 1.00 0.00 C ATOM 440 CD ARG A 28 -11.321 -7.619 0.152 1.00 0.00 C ATOM 441 NE ARG A 28 -12.213 -6.519 -0.256 1.00 0.00 N ATOM 442 CZ ARG A 28 -13.532 -6.639 -0.530 1.00 0.00 C ATOM 443 NH1 ARG A 28 -14.162 -7.809 -0.432 1.00 0.00 N ATOM 444 NH2 ARG A 28 -14.214 -5.576 -0.921 1.00 0.00 N ATOM 0 H ARG A 28 -8.373 -7.124 -3.863 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.175 -6.763 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.375 -8.696 -2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.923 -7.622 -1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.744 -8.695 -1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.546 -9.465 -0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.830 -8.238 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.439 -7.203 0.639 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.801 -5.590 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.649 -8.642 -0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.158 -7.871 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.745 -4.675 -1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.209 -5.657 -1.130 1.00 0.00 H new ATOM 458 N TRP A 29 -8.677 -5.023 -1.604 1.00 0.00 N ATOM 459 CA TRP A 29 -8.354 -3.711 -0.974 1.00 0.00 C ATOM 460 C TRP A 29 -7.901 -2.723 -2.076 1.00 0.00 C ATOM 461 O TRP A 29 -8.323 -2.871 -3.228 1.00 0.00 O ATOM 462 CB TRP A 29 -7.309 -3.876 0.187 1.00 0.00 C ATOM 463 CG TRP A 29 -5.891 -4.230 -0.232 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.432 -5.449 -0.625 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.743 -3.356 -0.256 1.00 0.00 C ATOM 466 NE1 TRP A 29 -4.107 -5.376 -0.955 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.656 -4.110 -0.720 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.534 -2.001 0.053 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.387 -3.568 -0.884 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.270 -1.465 -0.102 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.209 -2.249 -0.569 1.00 0.00 C ATOM 0 H TRP A 29 -7.882 -5.658 -1.675 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.243 -3.295 -0.500 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.277 -2.945 0.754 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.669 -4.650 0.865 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.030 -6.347 -0.670 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.545 -6.146 -1.319 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.350 -1.388 0.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.567 -4.169 -1.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.098 -0.427 0.141 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.231 -1.804 -0.683 1.00 0.00 H new ATOM 482 N ASN A 30 -7.115 -1.680 -1.711 1.00 0.00 N ATOM 483 CA ASN A 30 -6.556 -0.681 -2.667 1.00 0.00 C ATOM 484 C ASN A 30 -7.713 0.031 -3.397 1.00 0.00 C ATOM 485 O ASN A 30 -7.656 0.371 -4.584 1.00 0.00 O ATOM 486 CB ASN A 30 -5.548 -1.361 -3.641 1.00 0.00 C ATOM 487 CG ASN A 30 -4.685 -0.381 -4.445 1.00 0.00 C ATOM 488 OD1 ASN A 30 -3.599 0.004 -4.011 1.00 0.00 O ATOM 489 ND2 ASN A 30 -5.150 0.031 -5.617 1.00 0.00 N ATOM 0 H ASN A 30 -6.848 -1.504 -0.743 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.992 0.080 -2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.893 -2.017 -3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.102 -1.992 -4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.605 0.682 -6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.053 -0.303 -5.954 1.00 0.00 H new ATOM 496 N ALA A 31 -8.775 0.225 -2.637 1.00 0.00 N ATOM 497 CA ALA A 31 -10.005 0.860 -3.076 1.00 0.00 C ATOM 498 C ALA A 31 -10.290 2.041 -2.146 1.00 0.00 C ATOM 499 O ALA A 31 -9.844 2.058 -0.982 1.00 0.00 O ATOM 500 CB ALA A 31 -11.143 -0.170 -3.047 1.00 0.00 C ATOM 0 H ALA A 31 -8.806 -0.066 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.916 1.230 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.069 0.302 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.901 -0.998 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.268 -0.546 -2.031 1.00 0.00 H new ATOM 506 N ALA A 32 -11.011 3.035 -2.665 1.00 0.00 N ATOM 507 CA ALA A 32 -11.478 4.178 -1.863 1.00 0.00 C ATOM 508 C ALA A 32 -12.693 3.765 -1.005 1.00 0.00 C ATOM 509 O ALA A 32 -12.938 4.345 0.060 1.00 0.00 O ATOM 510 CB ALA A 32 -11.798 5.362 -2.781 1.00 0.00 C ATOM 0 H ALA A 32 -11.289 3.076 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.689 4.493 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.143 6.204 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.901 5.650 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.578 5.075 -3.486 1.00 0.00 H new ATOM 516 N SER A 33 -13.422 2.739 -1.487 1.00 0.00 N ATOM 517 CA SER A 33 -14.578 2.147 -0.783 1.00 0.00 C ATOM 518 C SER A 33 -14.890 0.749 -1.367 1.00 0.00 C ATOM 519 O SER A 33 -14.207 0.292 -2.286 1.00 0.00 O ATOM 520 CB SER A 33 -15.808 3.082 -0.916 1.00 0.00 C ATOM 521 OG SER A 33 -16.895 2.652 -0.114 1.00 0.00 O ATOM 0 H SER A 33 -13.224 2.294 -2.383 1.00 0.00 H new ATOM 0 HA SER A 33 -14.339 2.035 0.275 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.525 4.095 -0.629 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.121 3.122 -1.959 1.00 0.00 H new ATOM 0 HG SER A 33 -17.648 3.269 -0.226 1.00 0.00 H new ATOM 527 N SER A 34 -15.935 0.084 -0.834 1.00 0.00 N ATOM 528 CA SER A 34 -16.478 -1.175 -1.397 1.00 0.00 C ATOM 529 C SER A 34 -17.278 -0.894 -2.691 1.00 0.00 C ATOM 530 O SER A 34 -17.742 -1.819 -3.372 1.00 0.00 O ATOM 531 CB SER A 34 -17.341 -1.906 -0.335 1.00 0.00 C ATOM 532 OG SER A 34 -17.800 -3.177 -0.784 1.00 0.00 O ATOM 0 H SER A 34 -16.429 0.403 -0.000 1.00 0.00 H new ATOM 0 HA SER A 34 -15.650 -1.831 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.757 -2.036 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.198 -1.284 -0.078 1.00 0.00 H new ATOM 0 HG SER A 34 -17.916 -3.158 -1.757 1.00 0.00 H new ATOM 538 N ASP A 35 -17.436 0.404 -3.010 1.00 0.00 N ATOM 539 CA ASP A 35 -17.945 0.883 -4.302 1.00 0.00 C ATOM 540 C ASP A 35 -16.783 1.152 -5.277 1.00 0.00 C ATOM 541 O ASP A 35 -16.978 1.745 -6.334 1.00 0.00 O ATOM 542 CB ASP A 35 -18.771 2.170 -4.088 1.00 0.00 C ATOM 543 CG ASP A 35 -20.035 1.933 -3.250 1.00 0.00 C ATOM 544 OD1 ASP A 35 -21.020 1.394 -3.792 1.00 0.00 O ATOM 545 OD2 ASP A 35 -20.053 2.273 -2.046 1.00 0.00 O ATOM 0 H ASP A 35 -17.209 1.160 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.583 0.114 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.149 2.918 -3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.055 2.580 -5.057 1.00 0.00 H new ATOM 550 N TRP A 36 -15.569 0.733 -4.894 1.00 0.00 N ATOM 551 CA TRP A 36 -14.361 0.804 -5.741 1.00 0.00 C ATOM 552 C TRP A 36 -13.699 -0.579 -5.782 1.00 0.00 C ATOM 553 O TRP A 36 -13.828 -1.369 -4.836 1.00 0.00 O ATOM 554 CB TRP A 36 -13.351 1.862 -5.219 1.00 0.00 C ATOM 555 CG TRP A 36 -13.820 3.291 -5.339 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.757 3.920 -4.567 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.361 4.274 -6.282 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.913 5.218 -4.977 1.00 0.00 N ATOM 559 CE2 TRP A 36 -14.068 5.461 -6.025 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.422 4.261 -7.317 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -13.870 6.623 -6.765 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.222 5.416 -8.050 1.00 0.00 C ATOM 563 CH2 TRP A 36 -12.946 6.582 -7.772 1.00 0.00 C ATOM 0 H TRP A 36 -15.392 0.329 -3.975 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.661 1.109 -6.744 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -13.133 1.652 -4.172 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.415 1.753 -5.767 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -15.296 3.460 -3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -15.556 5.895 -4.566 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.863 3.365 -7.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.426 7.524 -6.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.496 5.419 -8.850 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.771 7.467 -8.365 1.00 0.00 H new ATOM 574 N HIS A 37 -12.973 -0.842 -6.865 1.00 0.00 N ATOM 575 CA HIS A 37 -12.360 -2.150 -7.137 1.00 0.00 C ATOM 576 C HIS A 37 -11.362 -1.965 -8.285 1.00 0.00 C ATOM 577 O HIS A 37 -11.609 -1.145 -9.179 1.00 0.00 O ATOM 578 CB HIS A 37 -13.449 -3.196 -7.528 1.00 0.00 C ATOM 579 CG HIS A 37 -14.102 -2.942 -8.870 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.898 -3.747 -9.972 1.00 0.00 N ATOM 581 CD2 HIS A 37 -14.922 -1.942 -9.296 1.00 0.00 C ATOM 582 CE1 HIS A 37 -14.550 -3.252 -11.007 1.00 0.00 C ATOM 583 NE2 HIS A 37 -15.180 -2.163 -10.624 1.00 0.00 N ATOM 0 H HIS A 37 -12.788 -0.149 -7.590 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.853 -2.522 -6.247 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -12.997 -4.188 -7.539 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.220 -3.206 -6.758 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.299 -1.126 -8.698 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.564 -3.671 -12.002 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -15.766 -1.577 -11.219 1.00 0.00 H new ATOM 592 N THR A 38 -10.248 -2.705 -8.290 1.00 0.00 N ATOM 593 CA THR A 38 -9.278 -2.600 -9.391 1.00 0.00 C ATOM 594 C THR A 38 -9.635 -3.563 -10.531 1.00 0.00 C ATOM 595 O THR A 38 -9.946 -4.737 -10.298 1.00 0.00 O ATOM 596 CB THR A 38 -7.805 -2.824 -8.924 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.662 -4.089 -8.284 1.00 0.00 O ATOM 598 CG2 THR A 38 -7.317 -1.723 -7.971 1.00 0.00 C ATOM 0 H THR A 38 -9.996 -3.372 -7.560 1.00 0.00 H new ATOM 0 HA THR A 38 -9.340 -1.577 -9.761 1.00 0.00 H new ATOM 0 HB THR A 38 -7.191 -2.792 -9.824 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.731 -4.209 -8.001 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.287 -1.927 -7.677 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.366 -0.758 -8.475 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.951 -1.702 -7.084 1.00 0.00 H new ATOM 606 N THR A 39 -9.592 -3.037 -11.761 1.00 0.00 N ATOM 607 CA THR A 39 -9.838 -3.804 -12.997 1.00 0.00 C ATOM 608 C THR A 39 -8.543 -4.495 -13.449 1.00 0.00 C ATOM 609 O THR A 39 -8.569 -5.495 -14.178 1.00 0.00 O ATOM 610 CB THR A 39 -10.342 -2.837 -14.115 1.00 0.00 C ATOM 611 OG1 THR A 39 -9.408 -1.744 -14.261 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.740 -2.278 -13.795 1.00 0.00 C ATOM 0 H THR A 39 -9.383 -2.054 -11.932 1.00 0.00 H new ATOM 0 HA THR A 39 -10.596 -4.564 -12.807 1.00 0.00 H new ATOM 0 HB THR A 39 -10.411 -3.402 -15.044 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.722 -1.137 -14.963 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.057 -1.610 -14.596 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.450 -3.101 -13.707 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.705 -1.727 -12.855 1.00 0.00 H new ATOM 620 N GLY A 40 -7.416 -3.929 -12.990 1.00 0.00 N ATOM 621 CA GLY A 40 -6.096 -4.460 -13.250 1.00 0.00 C ATOM 622 C GLY A 40 -5.055 -3.741 -12.415 1.00 0.00 C ATOM 623 O GLY A 40 -5.066 -2.504 -12.345 1.00 0.00 O ATOM 0 H GLY A 40 -7.410 -3.081 -12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.077 -5.526 -13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.858 -4.353 -14.308 1.00 0.00 H new ATOM 627 N SER A 41 -4.171 -4.506 -11.766 1.00 0.00 N ATOM 628 CA SER A 41 -3.097 -3.968 -10.934 1.00 0.00 C ATOM 629 C SER A 41 -1.811 -4.733 -11.208 1.00 0.00 C ATOM 630 O SER A 41 -1.646 -5.864 -10.752 1.00 0.00 O ATOM 631 CB SER A 41 -3.480 -4.068 -9.448 1.00 0.00 C ATOM 632 OG SER A 41 -4.629 -3.290 -9.186 1.00 0.00 O ATOM 0 H SER A 41 -4.184 -5.525 -11.806 1.00 0.00 H new ATOM 0 HA SER A 41 -2.941 -2.917 -11.177 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.668 -5.108 -9.183 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.651 -3.726 -8.828 1.00 0.00 H new ATOM 0 HG SER A 41 -4.415 -2.606 -8.518 1.00 0.00 H new ATOM 638 N ARG A 42 -0.915 -4.119 -11.991 1.00 0.00 N ATOM 639 CA ARG A 42 0.419 -4.665 -12.212 1.00 0.00 C ATOM 640 C ARG A 42 1.309 -4.255 -11.041 1.00 0.00 C ATOM 641 O ARG A 42 1.211 -3.130 -10.550 1.00 0.00 O ATOM 642 CB ARG A 42 1.028 -4.179 -13.557 1.00 0.00 C ATOM 643 CG ARG A 42 2.479 -4.665 -13.795 1.00 0.00 C ATOM 644 CD ARG A 42 2.984 -4.386 -15.218 1.00 0.00 C ATOM 645 NE ARG A 42 2.280 -5.205 -16.229 1.00 0.00 N ATOM 646 CZ ARG A 42 2.870 -6.038 -17.106 1.00 0.00 C ATOM 647 NH1 ARG A 42 4.201 -6.192 -17.132 1.00 0.00 N ATOM 648 NH2 ARG A 42 2.120 -6.725 -17.956 1.00 0.00 N ATOM 0 H ARG A 42 -1.096 -3.242 -12.480 1.00 0.00 H new ATOM 0 HA ARG A 42 0.351 -5.751 -12.272 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.399 -4.526 -14.377 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.011 -3.089 -13.581 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.141 -4.177 -13.079 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.533 -5.736 -13.601 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.848 -3.330 -15.450 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.054 -4.589 -15.269 1.00 0.00 H new ATOM 0 HE ARG A 42 1.263 -5.132 -16.264 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.787 -5.673 -16.479 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.628 -6.829 -17.805 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.106 -6.620 -17.941 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.557 -7.359 -18.625 1.00 0.00 H new ATOM 662 N VAL A 43 2.105 -5.208 -10.554 1.00 0.00 N ATOM 663 CA VAL A 43 3.186 -4.975 -9.597 1.00 0.00 C ATOM 664 C VAL A 43 4.443 -5.669 -10.142 1.00 0.00 C ATOM 665 O VAL A 43 4.528 -6.904 -10.144 1.00 0.00 O ATOM 666 CB VAL A 43 2.826 -5.505 -8.151 1.00 0.00 C ATOM 667 CG1 VAL A 43 4.003 -5.320 -7.168 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.559 -4.808 -7.615 1.00 0.00 C ATOM 0 H VAL A 43 2.013 -6.188 -10.821 1.00 0.00 H new ATOM 0 HA VAL A 43 3.354 -3.903 -9.489 1.00 0.00 H new ATOM 0 HB VAL A 43 2.628 -6.574 -8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.719 -5.695 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.870 -5.872 -7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.252 -4.261 -7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.329 -5.187 -6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.729 -3.733 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.722 -5.011 -8.283 1.00 0.00 H new ATOM 678 N ASP A 44 5.391 -4.872 -10.651 1.00 0.00 N ATOM 679 CA ASP A 44 6.680 -5.379 -11.128 1.00 0.00 C ATOM 680 C ASP A 44 7.674 -5.167 -9.992 1.00 0.00 C ATOM 681 O ASP A 44 8.363 -4.141 -9.932 1.00 0.00 O ATOM 682 CB ASP A 44 7.131 -4.657 -12.434 1.00 0.00 C ATOM 683 CG ASP A 44 8.288 -5.381 -13.157 1.00 0.00 C ATOM 684 OD1 ASP A 44 9.432 -5.336 -12.674 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.059 -5.985 -14.228 1.00 0.00 O ATOM 0 H ASP A 44 5.285 -3.862 -10.743 1.00 0.00 H new ATOM 0 HA ASP A 44 6.611 -6.435 -11.388 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.280 -4.578 -13.111 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.441 -3.641 -12.192 1.00 0.00 H new ATOM 690 N LEU A 45 7.672 -6.115 -9.050 1.00 0.00 N ATOM 691 CA LEU A 45 8.340 -5.964 -7.755 1.00 0.00 C ATOM 692 C LEU A 45 9.843 -6.287 -7.858 1.00 0.00 C ATOM 693 O LEU A 45 10.307 -7.343 -7.414 1.00 0.00 O ATOM 694 CB LEU A 45 7.621 -6.862 -6.711 1.00 0.00 C ATOM 695 CG LEU A 45 8.041 -6.681 -5.223 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.744 -5.254 -4.732 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.355 -7.738 -4.331 1.00 0.00 C ATOM 0 H LEU A 45 7.204 -7.014 -9.166 1.00 0.00 H new ATOM 0 HA LEU A 45 8.274 -4.926 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.549 -6.679 -6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.787 -7.903 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 45 9.118 -6.832 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.048 -5.157 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.297 -4.538 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.676 -5.054 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.662 -7.594 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.273 -7.631 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.645 -8.736 -4.660 1.00 0.00 H new ATOM 709 N VAL A 46 10.578 -5.382 -8.519 1.00 0.00 N ATOM 710 CA VAL A 46 12.053 -5.383 -8.580 1.00 0.00 C ATOM 711 C VAL A 46 12.549 -3.961 -8.277 1.00 0.00 C ATOM 712 O VAL A 46 11.757 -3.003 -8.279 1.00 0.00 O ATOM 713 CB VAL A 46 12.620 -5.857 -9.983 1.00 0.00 C ATOM 714 CG1 VAL A 46 12.081 -7.249 -10.371 1.00 0.00 C ATOM 715 CG2 VAL A 46 12.347 -4.827 -11.106 1.00 0.00 C ATOM 0 H VAL A 46 10.158 -4.611 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 46 12.417 -6.099 -7.843 1.00 0.00 H new ATOM 0 HB VAL A 46 13.702 -5.933 -9.870 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.491 -7.541 -11.338 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.377 -7.977 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.993 -7.214 -10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.754 -5.198 -12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.272 -4.678 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.822 -3.879 -10.853 1.00 0.00 H new ATOM 725 N VAL A 47 13.857 -3.824 -8.021 1.00 0.00 N ATOM 726 CA VAL A 47 14.483 -2.506 -7.825 1.00 0.00 C ATOM 727 C VAL A 47 14.555 -1.789 -9.189 1.00 0.00 C ATOM 728 O VAL A 47 15.384 -2.132 -10.038 1.00 0.00 O ATOM 729 CB VAL A 47 15.923 -2.630 -7.188 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.522 -1.236 -6.872 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.893 -3.529 -5.930 1.00 0.00 C ATOM 0 H VAL A 47 14.504 -4.609 -7.944 1.00 0.00 H new ATOM 0 HA VAL A 47 13.877 -1.928 -7.127 1.00 0.00 H new ATOM 0 HB VAL A 47 16.574 -3.104 -7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.513 -1.357 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.599 -0.656 -7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.876 -0.714 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.896 -3.599 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.218 -3.098 -5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.543 -4.525 -6.203 1.00 0.00 H new ATOM 741 N GLY A 48 13.643 -0.833 -9.399 1.00 0.00 N ATOM 742 CA GLY A 48 13.528 -0.102 -10.665 1.00 0.00 C ATOM 743 C GLY A 48 12.212 -0.372 -11.378 1.00 0.00 C ATOM 744 O GLY A 48 11.822 0.398 -12.264 1.00 0.00 O ATOM 0 H GLY A 48 12.964 -0.545 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.620 0.967 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.355 -0.381 -11.318 1.00 0.00 H new ATOM 748 N GLY A 49 11.526 -1.466 -10.985 1.00 0.00 N ATOM 749 CA GLY A 49 10.251 -1.862 -11.594 1.00 0.00 C ATOM 750 C GLY A 49 9.093 -0.977 -11.175 1.00 0.00 C ATOM 751 O GLY A 49 9.188 -0.267 -10.178 1.00 0.00 O ATOM 0 H GLY A 49 11.842 -2.091 -10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.349 -1.833 -12.679 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.030 -2.894 -11.321 1.00 0.00 H new ATOM 755 N ARG A 50 7.997 -1.010 -11.941 1.00 0.00 N ATOM 756 CA ARG A 50 6.825 -0.142 -11.699 1.00 0.00 C ATOM 757 C ARG A 50 5.582 -0.950 -11.325 1.00 0.00 C ATOM 758 O ARG A 50 5.481 -2.138 -11.612 1.00 0.00 O ATOM 759 CB ARG A 50 6.511 0.734 -12.942 1.00 0.00 C ATOM 760 CG ARG A 50 7.548 1.833 -13.238 1.00 0.00 C ATOM 761 CD ARG A 50 6.975 2.937 -14.144 1.00 0.00 C ATOM 762 NE ARG A 50 5.772 3.561 -13.536 1.00 0.00 N ATOM 763 CZ ARG A 50 5.469 4.873 -13.557 1.00 0.00 C ATOM 764 NH1 ARG A 50 6.275 5.753 -14.153 1.00 0.00 N ATOM 765 NH2 ARG A 50 4.345 5.289 -12.978 1.00 0.00 N ATOM 0 H ARG A 50 7.891 -1.632 -12.742 1.00 0.00 H new ATOM 0 HA ARG A 50 7.085 0.502 -10.859 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.431 0.086 -13.815 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.537 1.202 -12.802 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.887 2.273 -12.300 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.421 1.389 -13.716 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.735 3.699 -14.318 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.718 2.516 -15.116 1.00 0.00 H new ATOM 0 HE ARG A 50 5.117 2.941 -13.060 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.134 5.435 -14.601 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.032 6.744 -14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.725 4.617 -12.526 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.103 6.280 -12.987 1.00 0.00 H new ATOM 779 N PHE A 51 4.628 -0.261 -10.699 1.00 0.00 N ATOM 780 CA PHE A 51 3.288 -0.797 -10.429 1.00 0.00 C ATOM 781 C PHE A 51 2.248 0.192 -10.967 1.00 0.00 C ATOM 782 O PHE A 51 2.511 1.399 -11.015 1.00 0.00 O ATOM 783 CB PHE A 51 3.076 -1.056 -8.911 1.00 0.00 C ATOM 784 CG PHE A 51 3.082 0.196 -8.033 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.279 0.802 -7.665 1.00 0.00 C ATOM 786 CD2 PHE A 51 1.889 0.766 -7.584 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.285 1.932 -6.875 1.00 0.00 C ATOM 788 CE2 PHE A 51 1.898 1.898 -6.795 1.00 0.00 C ATOM 789 CZ PHE A 51 3.092 2.482 -6.444 1.00 0.00 C ATOM 0 H PHE A 51 4.761 0.692 -10.361 1.00 0.00 H new ATOM 0 HA PHE A 51 3.177 -1.758 -10.932 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.125 -1.572 -8.775 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.857 -1.731 -8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.215 0.382 -8.002 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.947 0.315 -7.858 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.222 2.388 -6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.967 2.325 -6.453 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.098 3.371 -5.831 1.00 0.00 H new ATOM 799 N CYS A 52 1.085 -0.329 -11.379 1.00 0.00 N ATOM 800 CA CYS A 52 -0.040 0.478 -11.869 1.00 0.00 C ATOM 801 C CYS A 52 -1.353 -0.174 -11.399 1.00 0.00 C ATOM 802 O CYS A 52 -1.729 -1.230 -11.894 1.00 0.00 O ATOM 803 CB CYS A 52 0.020 0.579 -13.415 1.00 0.00 C ATOM 804 SG CYS A 52 1.604 1.185 -14.047 1.00 0.00 S ATOM 0 H CYS A 52 0.897 -1.331 -11.382 1.00 0.00 H new ATOM 0 HA CYS A 52 0.014 1.491 -11.469 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.179 -0.404 -13.842 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.775 1.242 -13.758 1.00 0.00 H new ATOM 0 HG CYS A 52 1.563 1.235 -15.345 1.00 0.00 H new ATOM 810 N HIS A 53 -2.011 0.437 -10.400 1.00 0.00 N ATOM 811 CA HIS A 53 -3.239 -0.100 -9.783 1.00 0.00 C ATOM 812 C HIS A 53 -4.441 0.760 -10.208 1.00 0.00 C ATOM 813 O HIS A 53 -4.625 1.872 -9.701 1.00 0.00 O ATOM 814 CB HIS A 53 -3.120 -0.113 -8.228 1.00 0.00 C ATOM 815 CG HIS A 53 -1.950 -0.880 -7.654 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.702 -0.950 -6.295 1.00 0.00 N ATOM 817 CD2 HIS A 53 -0.936 -1.559 -8.243 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.593 -1.630 -6.084 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.110 -2.009 -7.249 1.00 0.00 N ATOM 0 H HIS A 53 -1.706 1.322 -9.994 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.381 -1.126 -10.122 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.057 0.918 -7.881 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.039 -0.532 -7.818 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -2.287 -0.539 -5.568 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.804 -1.716 -9.303 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.155 -1.841 -5.120 1.00 0.00 H new ATOM 828 N HIS A 54 -5.243 0.244 -11.142 1.00 0.00 N ATOM 829 CA HIS A 54 -6.392 0.973 -11.706 1.00 0.00 C ATOM 830 C HIS A 54 -7.602 0.902 -10.760 1.00 0.00 C ATOM 831 O HIS A 54 -8.376 -0.050 -10.827 1.00 0.00 O ATOM 832 CB HIS A 54 -6.760 0.400 -13.100 1.00 0.00 C ATOM 833 CG HIS A 54 -5.697 0.605 -14.147 1.00 0.00 C ATOM 834 ND1 HIS A 54 -4.684 -0.301 -14.395 1.00 0.00 N ATOM 835 CD2 HIS A 54 -5.501 1.620 -15.023 1.00 0.00 C ATOM 836 CE1 HIS A 54 -3.918 0.154 -15.369 1.00 0.00 C ATOM 837 NE2 HIS A 54 -4.394 1.313 -15.764 1.00 0.00 N ATOM 0 H HIS A 54 -5.118 -0.690 -11.532 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.111 2.020 -11.821 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.958 -0.667 -13.002 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.685 0.866 -13.440 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -4.549 -1.184 -13.902 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.108 2.508 -15.118 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.048 -0.342 -15.773 1.00 0.00 H new ATOM 846 N MET A 55 -7.763 1.920 -9.893 1.00 0.00 N ATOM 847 CA MET A 55 -8.909 1.991 -8.963 1.00 0.00 C ATOM 848 C MET A 55 -10.118 2.498 -9.760 1.00 0.00 C ATOM 849 O MET A 55 -10.151 3.658 -10.179 1.00 0.00 O ATOM 850 CB MET A 55 -8.657 2.961 -7.765 1.00 0.00 C ATOM 851 CG MET A 55 -7.422 2.684 -6.906 1.00 0.00 C ATOM 852 SD MET A 55 -7.284 3.887 -5.556 1.00 0.00 S ATOM 853 CE MET A 55 -5.857 3.305 -4.641 1.00 0.00 C ATOM 0 H MET A 55 -7.115 2.704 -9.816 1.00 0.00 H new ATOM 0 HA MET A 55 -9.073 0.998 -8.543 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.578 3.974 -8.158 1.00 0.00 H new ATOM 0 HB3 MET A 55 -9.534 2.938 -7.118 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.480 1.676 -6.495 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.527 2.725 -7.527 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.315 4.157 -4.231 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.185 2.658 -3.827 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.201 2.745 -5.307 1.00 0.00 H new ATOM 863 N ALA A 56 -11.083 1.615 -9.999 1.00 0.00 N ATOM 864 CA ALA A 56 -12.293 1.926 -10.774 1.00 0.00 C ATOM 865 C ALA A 56 -13.504 1.844 -9.852 1.00 0.00 C ATOM 866 O ALA A 56 -13.613 0.914 -9.054 1.00 0.00 O ATOM 867 CB ALA A 56 -12.434 0.950 -11.953 1.00 0.00 C ATOM 0 H ALA A 56 -11.053 0.654 -9.660 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.222 2.934 -11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.334 1.191 -12.519 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.563 1.036 -12.603 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.505 -0.070 -11.575 1.00 0.00 H new ATOM 873 N ALA A 57 -14.399 2.829 -9.950 1.00 0.00 N ATOM 874 CA ALA A 57 -15.662 2.837 -9.193 1.00 0.00 C ATOM 875 C ALA A 57 -16.636 1.794 -9.767 1.00 0.00 C ATOM 876 O ALA A 57 -16.441 1.303 -10.883 1.00 0.00 O ATOM 877 CB ALA A 57 -16.279 4.240 -9.209 1.00 0.00 C ATOM 0 H ALA A 57 -14.274 3.642 -10.552 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.456 2.569 -8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.212 4.233 -8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.586 4.948 -8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.478 4.538 -10.238 1.00 0.00 H new ATOM 883 N LYS A 58 -17.688 1.474 -9.005 1.00 0.00 N ATOM 884 CA LYS A 58 -18.684 0.471 -9.389 1.00 0.00 C ATOM 885 C LYS A 58 -19.547 0.975 -10.565 1.00 0.00 C ATOM 886 O LYS A 58 -20.023 0.181 -11.386 1.00 0.00 O ATOM 887 CB LYS A 58 -19.553 0.120 -8.161 1.00 0.00 C ATOM 888 CG LYS A 58 -20.506 -1.064 -8.381 1.00 0.00 C ATOM 889 CD LYS A 58 -21.318 -1.399 -7.117 1.00 0.00 C ATOM 890 CE LYS A 58 -22.140 -2.673 -7.288 1.00 0.00 C ATOM 891 NZ LYS A 58 -23.093 -2.888 -6.159 1.00 0.00 N ATOM 0 H LYS A 58 -17.872 1.907 -8.100 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.176 -0.431 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.898 -0.107 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.139 0.996 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -21.189 -0.832 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.931 -1.939 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.641 -1.515 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.982 -0.568 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.695 -2.622 -8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.469 -3.529 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.629 -3.765 -6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.563 -2.964 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.752 -2.085 -6.103 1.00 0.00 H new ATOM 905 N ASP A 59 -19.723 2.308 -10.634 1.00 0.00 N ATOM 906 CA ASP A 59 -20.368 2.985 -11.779 1.00 0.00 C ATOM 907 C ASP A 59 -19.431 2.996 -12.998 1.00 0.00 C ATOM 908 O ASP A 59 -19.890 3.099 -14.137 1.00 0.00 O ATOM 909 CB ASP A 59 -20.764 4.432 -11.409 1.00 0.00 C ATOM 910 CG ASP A 59 -21.835 4.513 -10.310 1.00 0.00 C ATOM 911 OD1 ASP A 59 -23.042 4.415 -10.629 1.00 0.00 O ATOM 912 OD2 ASP A 59 -21.477 4.649 -9.121 1.00 0.00 O ATOM 0 H ASP A 59 -19.423 2.948 -9.898 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.271 2.429 -12.032 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.875 4.970 -11.079 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.131 4.939 -12.301 1.00 0.00 H new ATOM 917 N GLY A 60 -18.110 2.919 -12.737 1.00 0.00 N ATOM 918 CA GLY A 60 -17.097 2.854 -13.795 1.00 0.00 C ATOM 919 C GLY A 60 -16.582 4.224 -14.227 1.00 0.00 C ATOM 920 O GLY A 60 -15.399 4.367 -14.548 1.00 0.00 O ATOM 0 H GLY A 60 -17.724 2.901 -11.793 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.258 2.252 -13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.519 2.343 -14.661 1.00 0.00 H new ATOM 924 N SER A 61 -17.480 5.230 -14.214 1.00 0.00 N ATOM 925 CA SER A 61 -17.215 6.588 -14.729 1.00 0.00 C ATOM 926 C SER A 61 -16.078 7.284 -13.949 1.00 0.00 C ATOM 927 O SER A 61 -15.232 7.960 -14.542 1.00 0.00 O ATOM 928 CB SER A 61 -18.523 7.417 -14.679 1.00 0.00 C ATOM 929 OG SER A 61 -18.351 8.713 -15.228 1.00 0.00 O ATOM 0 H SER A 61 -18.423 5.120 -13.840 1.00 0.00 H new ATOM 0 HA SER A 61 -16.879 6.511 -15.763 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.306 6.892 -15.226 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.859 7.503 -13.646 1.00 0.00 H new ATOM 0 HG SER A 61 -19.198 9.204 -15.180 1.00 0.00 H new ATOM 935 N ALA A 62 -16.070 7.100 -12.621 1.00 0.00 N ATOM 936 CA ALA A 62 -15.019 7.627 -11.736 1.00 0.00 C ATOM 937 C ALA A 62 -13.877 6.608 -11.633 1.00 0.00 C ATOM 938 O ALA A 62 -14.130 5.412 -11.436 1.00 0.00 O ATOM 939 CB ALA A 62 -15.594 7.947 -10.346 1.00 0.00 C ATOM 0 H ALA A 62 -16.795 6.579 -12.128 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.628 8.554 -12.157 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.802 8.335 -9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.383 8.693 -10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.005 7.039 -9.905 1.00 0.00 H new ATOM 945 N GLY A 63 -12.634 7.083 -11.791 1.00 0.00 N ATOM 946 CA GLY A 63 -11.452 6.236 -11.672 1.00 0.00 C ATOM 947 C GLY A 63 -10.207 7.025 -11.291 1.00 0.00 C ATOM 948 O GLY A 63 -9.953 8.103 -11.843 1.00 0.00 O ATOM 0 H GLY A 63 -12.426 8.059 -12.003 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.634 5.466 -10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.279 5.724 -12.619 1.00 0.00 H new ATOM 952 N PHE A 64 -9.444 6.486 -10.330 1.00 0.00 N ATOM 953 CA PHE A 64 -8.136 7.027 -9.915 1.00 0.00 C ATOM 954 C PHE A 64 -7.058 5.961 -10.166 1.00 0.00 C ATOM 955 O PHE A 64 -7.315 4.775 -9.991 1.00 0.00 O ATOM 956 CB PHE A 64 -8.171 7.421 -8.412 1.00 0.00 C ATOM 957 CG PHE A 64 -6.842 7.970 -7.871 1.00 0.00 C ATOM 958 CD1 PHE A 64 -6.380 9.227 -8.264 1.00 0.00 C ATOM 959 CD2 PHE A 64 -6.052 7.230 -6.983 1.00 0.00 C ATOM 960 CE1 PHE A 64 -5.179 9.726 -7.786 1.00 0.00 C ATOM 961 CE2 PHE A 64 -4.850 7.732 -6.506 1.00 0.00 C ATOM 962 CZ PHE A 64 -4.415 8.981 -6.910 1.00 0.00 C ATOM 0 H PHE A 64 -9.718 5.652 -9.811 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.906 7.921 -10.494 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.948 8.171 -8.263 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.455 6.547 -7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.967 9.819 -8.950 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.384 6.253 -6.664 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.839 10.702 -8.100 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.255 7.148 -5.820 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.479 9.373 -6.541 1.00 0.00 H new ATOM 972 N ASP A 65 -5.857 6.379 -10.579 1.00 0.00 N ATOM 973 CA ASP A 65 -4.729 5.456 -10.801 1.00 0.00 C ATOM 974 C ASP A 65 -3.687 5.608 -9.675 1.00 0.00 C ATOM 975 O ASP A 65 -3.287 6.723 -9.323 1.00 0.00 O ATOM 976 CB ASP A 65 -4.107 5.694 -12.204 1.00 0.00 C ATOM 977 CG ASP A 65 -3.506 7.097 -12.401 1.00 0.00 C ATOM 978 OD1 ASP A 65 -4.274 8.052 -12.631 1.00 0.00 O ATOM 979 OD2 ASP A 65 -2.270 7.247 -12.350 1.00 0.00 O ATOM 0 H ASP A 65 -5.636 7.357 -10.769 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.093 4.429 -10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.328 4.951 -12.374 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.874 5.531 -12.961 1.00 0.00 H new ATOM 984 N PHE A 66 -3.293 4.465 -9.095 1.00 0.00 N ATOM 985 CA PHE A 66 -2.265 4.379 -8.049 1.00 0.00 C ATOM 986 C PHE A 66 -1.022 3.713 -8.655 1.00 0.00 C ATOM 987 O PHE A 66 -0.889 2.482 -8.640 1.00 0.00 O ATOM 988 CB PHE A 66 -2.822 3.584 -6.832 1.00 0.00 C ATOM 989 CG PHE A 66 -1.835 3.354 -5.678 1.00 0.00 C ATOM 990 CD1 PHE A 66 -1.225 4.425 -5.026 1.00 0.00 C ATOM 991 CD2 PHE A 66 -1.531 2.064 -5.242 1.00 0.00 C ATOM 992 CE1 PHE A 66 -0.343 4.207 -3.979 1.00 0.00 C ATOM 993 CE2 PHE A 66 -0.650 1.849 -4.196 1.00 0.00 C ATOM 994 CZ PHE A 66 -0.057 2.920 -3.565 1.00 0.00 C ATOM 0 H PHE A 66 -3.687 3.558 -9.345 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.988 5.369 -7.686 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.691 4.114 -6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.172 2.614 -7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.442 5.435 -5.340 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.992 1.217 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.123 5.047 -3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.428 0.842 -3.875 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.630 2.754 -2.748 1.00 0.00 H new ATOM 1004 N THR A 67 -0.150 4.534 -9.243 1.00 0.00 N ATOM 1005 CA THR A 67 1.031 4.057 -9.981 1.00 0.00 C ATOM 1006 C THR A 67 2.314 4.681 -9.416 1.00 0.00 C ATOM 1007 O THR A 67 2.262 5.643 -8.638 1.00 0.00 O ATOM 1008 CB THR A 67 0.892 4.351 -11.516 1.00 0.00 C ATOM 1009 OG1 THR A 67 2.026 3.838 -12.241 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.722 5.845 -11.814 1.00 0.00 C ATOM 0 H THR A 67 -0.239 5.550 -9.223 1.00 0.00 H new ATOM 0 HA THR A 67 1.095 2.976 -9.853 1.00 0.00 H new ATOM 0 HB THR A 67 -0.013 3.841 -11.848 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.756 3.047 -12.753 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.630 5.993 -12.890 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.176 6.215 -11.319 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.591 6.391 -11.445 1.00 0.00 H new ATOM 1018 N GLY A 68 3.455 4.096 -9.792 1.00 0.00 N ATOM 1019 CA GLY A 68 4.752 4.583 -9.357 1.00 0.00 C ATOM 1020 C GLY A 68 5.858 3.608 -9.682 1.00 0.00 C ATOM 1021 O GLY A 68 5.659 2.693 -10.483 1.00 0.00 O ATOM 0 H GLY A 68 3.498 3.279 -10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.960 5.540 -9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.730 4.762 -8.282 1.00 0.00 H new ATOM 1025 N THR A 69 7.018 3.786 -9.038 1.00 0.00 N ATOM 1026 CA THR A 69 8.229 2.994 -9.308 1.00 0.00 C ATOM 1027 C THR A 69 8.893 2.574 -7.986 1.00 0.00 C ATOM 1028 O THR A 69 9.192 3.429 -7.147 1.00 0.00 O ATOM 1029 CB THR A 69 9.247 3.841 -10.147 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.599 4.345 -11.328 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.496 3.037 -10.548 1.00 0.00 C ATOM 0 H THR A 69 7.146 4.488 -8.309 1.00 0.00 H new ATOM 0 HA THR A 69 7.943 2.104 -9.869 1.00 0.00 H new ATOM 0 HB THR A 69 9.580 4.664 -9.515 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.237 4.875 -11.850 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.167 3.672 -11.127 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.009 2.690 -9.651 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.198 2.179 -11.151 1.00 0.00 H new ATOM 1039 N PHE A 70 9.132 1.266 -7.823 1.00 0.00 N ATOM 1040 CA PHE A 70 9.832 0.710 -6.658 1.00 0.00 C ATOM 1041 C PHE A 70 11.309 1.141 -6.654 1.00 0.00 C ATOM 1042 O PHE A 70 12.058 0.859 -7.596 1.00 0.00 O ATOM 1043 CB PHE A 70 9.720 -0.830 -6.647 1.00 0.00 C ATOM 1044 CG PHE A 70 8.285 -1.339 -6.621 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.495 -1.155 -5.494 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.730 -1.993 -7.718 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.193 -1.610 -5.460 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.428 -2.449 -7.685 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.661 -2.257 -6.553 1.00 0.00 C ATOM 0 H PHE A 70 8.843 0.560 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 70 9.359 1.100 -5.756 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.222 -1.228 -7.529 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.250 -1.218 -5.777 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.905 -0.649 -4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.326 -2.145 -8.606 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.591 -1.459 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.010 -2.955 -8.543 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.642 -2.615 -6.525 1.00 0.00 H new ATOM 1059 N THR A 71 11.697 1.840 -5.590 1.00 0.00 N ATOM 1060 CA THR A 71 13.046 2.383 -5.417 1.00 0.00 C ATOM 1061 C THR A 71 13.895 1.465 -4.517 1.00 0.00 C ATOM 1062 O THR A 71 15.113 1.342 -4.691 1.00 0.00 O ATOM 1063 CB THR A 71 12.951 3.817 -4.816 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.147 3.790 -3.617 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.329 4.804 -5.819 1.00 0.00 C ATOM 0 H THR A 71 11.074 2.050 -4.810 1.00 0.00 H new ATOM 0 HA THR A 71 13.538 2.436 -6.388 1.00 0.00 H new ATOM 0 HB THR A 71 13.962 4.151 -4.583 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.090 4.693 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.277 5.795 -5.369 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.944 4.845 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.325 4.471 -6.082 1.00 0.00 H new ATOM 1073 N ARG A 72 13.220 0.792 -3.576 1.00 0.00 N ATOM 1074 CA ARG A 72 13.862 -0.029 -2.542 1.00 0.00 C ATOM 1075 C ARG A 72 12.971 -1.246 -2.256 1.00 0.00 C ATOM 1076 O ARG A 72 11.811 -1.085 -1.877 1.00 0.00 O ATOM 1077 CB ARG A 72 14.038 0.845 -1.277 1.00 0.00 C ATOM 1078 CG ARG A 72 14.709 0.183 -0.061 1.00 0.00 C ATOM 1079 CD ARG A 72 14.645 1.083 1.188 1.00 0.00 C ATOM 1080 NE ARG A 72 15.325 0.518 2.357 1.00 0.00 N ATOM 1081 CZ ARG A 72 15.529 1.191 3.517 1.00 0.00 C ATOM 1082 NH1 ARG A 72 15.079 2.440 3.666 1.00 0.00 N ATOM 1083 NH2 ARG A 72 16.207 0.625 4.499 1.00 0.00 N ATOM 0 H ARG A 72 12.202 0.803 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 72 14.839 -0.387 -2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.622 1.724 -1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.054 1.200 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.220 -0.768 0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.750 -0.039 -0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.090 2.049 0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.600 1.266 1.440 1.00 0.00 H new ATOM 0 HE ARG A 72 15.666 -0.441 2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.577 2.896 2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.237 2.938 4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.577 -0.319 4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.360 1.131 5.371 1.00 0.00 H new ATOM 1097 N VAL A 73 13.504 -2.456 -2.472 1.00 0.00 N ATOM 1098 CA VAL A 73 12.744 -3.708 -2.292 1.00 0.00 C ATOM 1099 C VAL A 73 13.555 -4.704 -1.438 1.00 0.00 C ATOM 1100 O VAL A 73 14.572 -5.239 -1.891 1.00 0.00 O ATOM 1101 CB VAL A 73 12.373 -4.390 -3.674 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.440 -5.605 -3.460 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.748 -3.383 -4.671 1.00 0.00 C ATOM 0 H VAL A 73 14.468 -2.598 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 73 11.815 -3.446 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 73 13.304 -4.745 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.201 -6.054 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.940 -6.341 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.521 -5.277 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.510 -3.895 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.837 -2.966 -4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.457 -2.579 -4.869 1.00 0.00 H new ATOM 1113 N GLU A 74 13.111 -4.916 -0.191 1.00 0.00 N ATOM 1114 CA GLU A 74 13.600 -5.991 0.682 1.00 0.00 C ATOM 1115 C GLU A 74 12.386 -6.847 1.047 1.00 0.00 C ATOM 1116 O GLU A 74 11.642 -6.510 1.972 1.00 0.00 O ATOM 1117 CB GLU A 74 14.283 -5.458 1.987 1.00 0.00 C ATOM 1118 CG GLU A 74 15.582 -4.647 1.794 1.00 0.00 C ATOM 1119 CD GLU A 74 15.353 -3.224 1.260 1.00 0.00 C ATOM 1120 OE1 GLU A 74 14.696 -2.425 1.961 1.00 0.00 O ATOM 1121 OE2 GLU A 74 15.852 -2.893 0.164 1.00 0.00 O ATOM 0 H GLU A 74 12.393 -4.338 0.245 1.00 0.00 H new ATOM 0 HA GLU A 74 14.365 -6.559 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.565 -4.834 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.503 -6.310 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.106 -4.587 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.234 -5.183 1.105 1.00 0.00 H new ATOM 1128 N ALA A 75 12.153 -7.914 0.279 1.00 0.00 N ATOM 1129 CA ALA A 75 11.067 -8.859 0.555 1.00 0.00 C ATOM 1130 C ALA A 75 11.469 -9.765 1.737 1.00 0.00 C ATOM 1131 O ALA A 75 12.575 -10.312 1.723 1.00 0.00 O ATOM 1132 CB ALA A 75 10.744 -9.684 -0.704 1.00 0.00 C ATOM 0 H ALA A 75 12.707 -8.147 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 75 10.164 -8.313 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.936 -10.382 -0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.438 -9.015 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.630 -10.240 -1.012 1.00 0.00 H new ATOM 1138 N PRO A 76 10.608 -9.931 2.790 1.00 0.00 N ATOM 1139 CA PRO A 76 9.290 -9.273 2.947 1.00 0.00 C ATOM 1140 C PRO A 76 9.270 -8.110 3.979 1.00 0.00 C ATOM 1141 O PRO A 76 8.199 -7.746 4.483 1.00 0.00 O ATOM 1142 CB PRO A 76 8.468 -10.471 3.448 1.00 0.00 C ATOM 1143 CG PRO A 76 9.403 -11.189 4.381 1.00 0.00 C ATOM 1144 CD PRO A 76 10.826 -10.858 3.926 1.00 0.00 C ATOM 0 HA PRO A 76 8.938 -8.784 2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.563 -10.147 3.961 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.155 -11.113 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.242 -10.869 5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.228 -12.264 4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.405 -10.391 4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.369 -11.752 3.619 1.00 0.00 H new ATOM 1152 N THR A 77 10.441 -7.514 4.256 1.00 0.00 N ATOM 1153 CA THR A 77 10.610 -6.568 5.369 1.00 0.00 C ATOM 1154 C THR A 77 10.204 -5.130 4.992 1.00 0.00 C ATOM 1155 O THR A 77 9.328 -4.560 5.627 1.00 0.00 O ATOM 1156 CB THR A 77 12.080 -6.599 5.898 1.00 0.00 C ATOM 1157 OG1 THR A 77 12.987 -6.349 4.816 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.420 -7.946 6.556 1.00 0.00 C ATOM 0 H THR A 77 11.292 -7.674 3.718 1.00 0.00 H new ATOM 0 HA THR A 77 9.937 -6.891 6.163 1.00 0.00 H new ATOM 0 HB THR A 77 12.179 -5.822 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.908 -6.367 5.150 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.450 -7.928 6.911 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.749 -8.119 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.302 -8.747 5.827 1.00 0.00 H new ATOM 1166 N ARG A 78 10.834 -4.532 3.964 1.00 0.00 N ATOM 1167 CA ARG A 78 10.591 -3.111 3.607 1.00 0.00 C ATOM 1168 C ARG A 78 10.312 -2.944 2.114 1.00 0.00 C ATOM 1169 O ARG A 78 10.864 -3.670 1.284 1.00 0.00 O ATOM 1170 CB ARG A 78 11.793 -2.212 4.018 1.00 0.00 C ATOM 1171 CG ARG A 78 12.051 -2.154 5.530 1.00 0.00 C ATOM 1172 CD ARG A 78 13.118 -1.130 5.922 1.00 0.00 C ATOM 1173 NE ARG A 78 12.716 0.241 5.572 1.00 0.00 N ATOM 1174 CZ ARG A 78 13.155 1.348 6.182 1.00 0.00 C ATOM 1175 NH1 ARG A 78 14.002 1.275 7.211 1.00 0.00 N ATOM 1176 NH2 ARG A 78 12.753 2.530 5.758 1.00 0.00 N ATOM 0 H ARG A 78 11.513 -5.003 3.365 1.00 0.00 H new ATOM 0 HA ARG A 78 9.707 -2.795 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.692 -2.578 3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.617 -1.200 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.119 -1.912 6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.359 -3.140 5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.304 -1.191 6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.055 -1.373 5.422 1.00 0.00 H new ATOM 0 HE ARG A 78 12.052 0.357 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.324 0.366 7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.327 2.128 7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.110 2.597 4.969 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.085 3.377 6.219 1.00 0.00 H new ATOM 1190 N LEU A 79 9.457 -1.963 1.790 1.00 0.00 N ATOM 1191 CA LEU A 79 9.120 -1.609 0.411 1.00 0.00 C ATOM 1192 C LEU A 79 8.957 -0.099 0.285 1.00 0.00 C ATOM 1193 O LEU A 79 8.028 0.473 0.837 1.00 0.00 O ATOM 1194 CB LEU A 79 7.809 -2.301 -0.045 1.00 0.00 C ATOM 1195 CG LEU A 79 7.465 -2.149 -1.553 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.644 -2.628 -2.435 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.154 -2.893 -1.898 1.00 0.00 C ATOM 0 H LEU A 79 8.978 -1.391 2.486 1.00 0.00 H new ATOM 0 HA LEU A 79 9.935 -1.951 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.878 -3.363 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.983 -1.899 0.541 1.00 0.00 H new ATOM 0 HG LEU A 79 7.304 -1.092 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.382 -2.513 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.529 -2.032 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.852 -3.677 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.935 -2.771 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.266 -3.953 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.335 -2.480 -1.309 1.00 0.00 H new ATOM 1209 N SER A 80 9.832 0.528 -0.485 1.00 0.00 N ATOM 1210 CA SER A 80 9.784 1.968 -0.751 1.00 0.00 C ATOM 1211 C SER A 80 9.591 2.169 -2.255 1.00 0.00 C ATOM 1212 O SER A 80 10.153 1.418 -3.068 1.00 0.00 O ATOM 1213 CB SER A 80 11.075 2.662 -0.268 1.00 0.00 C ATOM 1214 OG SER A 80 11.479 2.173 0.999 1.00 0.00 O ATOM 0 H SER A 80 10.605 0.052 -0.950 1.00 0.00 H new ATOM 0 HA SER A 80 8.954 2.417 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.872 2.499 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.912 3.738 -0.210 1.00 0.00 H new ATOM 0 HG SER A 80 11.391 2.884 1.667 1.00 0.00 H new ATOM 1220 N PHE A 81 8.792 3.168 -2.612 1.00 0.00 N ATOM 1221 CA PHE A 81 8.486 3.497 -3.997 1.00 0.00 C ATOM 1222 C PHE A 81 8.190 4.992 -4.118 1.00 0.00 C ATOM 1223 O PHE A 81 7.585 5.590 -3.226 1.00 0.00 O ATOM 1224 CB PHE A 81 7.302 2.632 -4.525 1.00 0.00 C ATOM 1225 CG PHE A 81 6.032 2.636 -3.660 1.00 0.00 C ATOM 1226 CD1 PHE A 81 5.048 3.611 -3.829 1.00 0.00 C ATOM 1227 CD2 PHE A 81 5.816 1.644 -2.697 1.00 0.00 C ATOM 1228 CE1 PHE A 81 3.890 3.595 -3.069 1.00 0.00 C ATOM 1229 CE2 PHE A 81 4.660 1.632 -1.934 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.696 2.607 -2.122 1.00 0.00 C ATOM 0 H PHE A 81 8.333 3.780 -1.937 1.00 0.00 H new ATOM 0 HA PHE A 81 9.352 3.268 -4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.039 2.981 -5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.646 1.603 -4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.191 4.390 -4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.561 0.877 -2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.138 4.356 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.511 0.861 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.793 2.596 -1.529 1.00 0.00 H new ATOM 1240 N VAL A 82 8.633 5.585 -5.228 1.00 0.00 N ATOM 1241 CA VAL A 82 8.339 6.976 -5.575 1.00 0.00 C ATOM 1242 C VAL A 82 7.412 6.966 -6.790 1.00 0.00 C ATOM 1243 O VAL A 82 7.696 6.294 -7.784 1.00 0.00 O ATOM 1244 CB VAL A 82 9.639 7.808 -5.891 1.00 0.00 C ATOM 1245 CG1 VAL A 82 9.295 9.234 -6.375 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.575 7.859 -4.665 1.00 0.00 C ATOM 0 H VAL A 82 9.212 5.108 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 82 7.866 7.459 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 82 10.163 7.300 -6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.215 9.779 -6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.694 9.175 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.732 9.755 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.465 8.439 -4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.055 8.328 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.867 6.846 -4.388 1.00 0.00 H new ATOM 1256 N MET A 83 6.313 7.725 -6.698 1.00 0.00 N ATOM 1257 CA MET A 83 5.337 7.869 -7.786 1.00 0.00 C ATOM 1258 C MET A 83 5.956 8.727 -8.907 1.00 0.00 C ATOM 1259 O MET A 83 6.900 9.482 -8.660 1.00 0.00 O ATOM 1260 CB MET A 83 4.039 8.529 -7.253 1.00 0.00 C ATOM 1261 CG MET A 83 3.323 7.738 -6.155 1.00 0.00 C ATOM 1262 SD MET A 83 1.868 8.606 -5.517 1.00 0.00 S ATOM 1263 CE MET A 83 1.354 7.523 -4.181 1.00 0.00 C ATOM 0 H MET A 83 6.074 8.259 -5.863 1.00 0.00 H new ATOM 0 HA MET A 83 5.082 6.886 -8.183 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.283 9.519 -6.868 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.351 8.671 -8.087 1.00 0.00 H new ATOM 0 HG2 MET A 83 3.020 6.768 -6.548 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.017 7.548 -5.336 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.327 7.755 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.415 6.486 -4.510 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.008 7.670 -3.321 1.00 0.00 H new ATOM 1273 N ASP A 84 5.408 8.635 -10.126 1.00 0.00 N ATOM 1274 CA ASP A 84 5.912 9.415 -11.284 1.00 0.00 C ATOM 1275 C ASP A 84 5.503 10.899 -11.198 1.00 0.00 C ATOM 1276 O ASP A 84 5.946 11.718 -12.007 1.00 0.00 O ATOM 1277 CB ASP A 84 5.448 8.779 -12.613 1.00 0.00 C ATOM 1278 CG ASP A 84 3.930 8.796 -12.802 1.00 0.00 C ATOM 1279 OD1 ASP A 84 3.250 7.938 -12.214 1.00 0.00 O ATOM 1280 OD2 ASP A 84 3.417 9.650 -13.551 1.00 0.00 O ATOM 0 H ASP A 84 4.616 8.031 -10.344 1.00 0.00 H new ATOM 0 HA ASP A 84 7.001 9.385 -11.255 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.915 9.309 -13.443 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.800 7.748 -12.655 1.00 0.00 H new ATOM 1285 N ASP A 85 4.647 11.228 -10.212 1.00 0.00 N ATOM 1286 CA ASP A 85 4.323 12.623 -9.842 1.00 0.00 C ATOM 1287 C ASP A 85 5.389 13.187 -8.866 1.00 0.00 C ATOM 1288 O ASP A 85 5.376 14.379 -8.544 1.00 0.00 O ATOM 1289 CB ASP A 85 2.920 12.691 -9.189 1.00 0.00 C ATOM 1290 CG ASP A 85 1.784 12.307 -10.152 1.00 0.00 C ATOM 1291 OD1 ASP A 85 1.468 13.102 -11.064 1.00 0.00 O ATOM 1292 OD2 ASP A 85 1.207 11.217 -10.009 1.00 0.00 O ATOM 0 H ASP A 85 4.158 10.534 -9.647 1.00 0.00 H new ATOM 0 HA ASP A 85 4.323 13.229 -10.748 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.896 12.026 -8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.747 13.701 -8.818 1.00 0.00 H new ATOM 1297 N GLY A 86 6.293 12.303 -8.396 1.00 0.00 N ATOM 1298 CA GLY A 86 7.372 12.661 -7.468 1.00 0.00 C ATOM 1299 C GLY A 86 7.089 12.257 -6.022 1.00 0.00 C ATOM 1300 O GLY A 86 7.966 12.394 -5.172 1.00 0.00 O ATOM 0 H GLY A 86 6.290 11.316 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.296 12.185 -7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.536 13.738 -7.511 1.00 0.00 H new ATOM 1304 N ARG A 87 5.868 11.758 -5.745 1.00 0.00 N ATOM 1305 CA ARG A 87 5.403 11.461 -4.369 1.00 0.00 C ATOM 1306 C ARG A 87 6.162 10.263 -3.742 1.00 0.00 C ATOM 1307 O ARG A 87 5.955 9.120 -4.156 1.00 0.00 O ATOM 1308 CB ARG A 87 3.866 11.183 -4.362 1.00 0.00 C ATOM 1309 CG ARG A 87 2.991 12.235 -5.086 1.00 0.00 C ATOM 1310 CD ARG A 87 3.246 13.667 -4.600 1.00 0.00 C ATOM 1311 NE ARG A 87 3.177 13.765 -3.133 1.00 0.00 N ATOM 1312 CZ ARG A 87 3.807 14.684 -2.386 1.00 0.00 C ATOM 1313 NH1 ARG A 87 4.549 15.640 -2.942 1.00 0.00 N ATOM 1314 NH2 ARG A 87 3.714 14.624 -1.074 1.00 0.00 N ATOM 0 H ARG A 87 5.176 11.549 -6.464 1.00 0.00 H new ATOM 0 HA ARG A 87 5.615 12.340 -3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.689 10.211 -4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.533 11.111 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.182 12.182 -6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.940 11.989 -4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.227 13.998 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.511 14.338 -5.044 1.00 0.00 H new ATOM 0 HE ARG A 87 2.603 13.078 -2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.647 15.684 -3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.019 16.328 -2.354 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.167 13.884 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.189 15.318 -0.497 1.00 0.00 H new ATOM 1328 N GLU A 88 7.010 10.531 -2.734 1.00 0.00 N ATOM 1329 CA GLU A 88 7.833 9.496 -2.077 1.00 0.00 C ATOM 1330 C GLU A 88 7.013 8.797 -0.980 1.00 0.00 C ATOM 1331 O GLU A 88 6.464 9.464 -0.100 1.00 0.00 O ATOM 1332 CB GLU A 88 9.123 10.103 -1.445 1.00 0.00 C ATOM 1333 CG GLU A 88 9.952 11.035 -2.362 1.00 0.00 C ATOM 1334 CD GLU A 88 9.518 12.521 -2.371 1.00 0.00 C ATOM 1335 OE1 GLU A 88 8.522 12.900 -1.700 1.00 0.00 O ATOM 1336 OE2 GLU A 88 10.183 13.323 -3.047 1.00 0.00 O ATOM 0 H GLU A 88 7.145 11.467 -2.352 1.00 0.00 H new ATOM 0 HA GLU A 88 8.131 8.777 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.839 10.662 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.764 9.284 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.997 10.982 -2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.899 10.653 -3.382 1.00 0.00 H new ATOM 1343 N VAL A 89 6.932 7.457 -1.043 1.00 0.00 N ATOM 1344 CA VAL A 89 6.263 6.625 -0.022 1.00 0.00 C ATOM 1345 C VAL A 89 7.237 5.520 0.442 1.00 0.00 C ATOM 1346 O VAL A 89 7.846 4.847 -0.386 1.00 0.00 O ATOM 1347 CB VAL A 89 4.936 5.973 -0.573 1.00 0.00 C ATOM 1348 CG1 VAL A 89 4.232 5.134 0.520 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.973 7.042 -1.153 1.00 0.00 C ATOM 0 H VAL A 89 7.331 6.914 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 89 5.988 7.266 0.816 1.00 0.00 H new ATOM 0 HB VAL A 89 5.216 5.304 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.321 4.697 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.898 4.339 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.980 5.775 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.070 6.556 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.708 7.755 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.464 7.568 -1.972 1.00 0.00 H new ATOM 1359 N ASP A 90 7.395 5.361 1.758 1.00 0.00 N ATOM 1360 CA ASP A 90 8.252 4.328 2.362 1.00 0.00 C ATOM 1361 C ASP A 90 7.370 3.450 3.240 1.00 0.00 C ATOM 1362 O ASP A 90 6.750 3.947 4.154 1.00 0.00 O ATOM 1363 CB ASP A 90 9.373 4.980 3.227 1.00 0.00 C ATOM 1364 CG ASP A 90 10.345 3.948 3.857 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.023 3.358 4.912 1.00 0.00 O ATOM 1366 OD2 ASP A 90 11.449 3.735 3.314 1.00 0.00 O ATOM 0 H ASP A 90 6.927 5.951 2.446 1.00 0.00 H new ATOM 0 HA ASP A 90 8.731 3.739 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.942 5.673 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.913 5.567 4.022 1.00 0.00 H new ATOM 1371 N VAL A 91 7.318 2.158 2.959 1.00 0.00 N ATOM 1372 CA VAL A 91 6.567 1.182 3.773 1.00 0.00 C ATOM 1373 C VAL A 91 7.579 0.234 4.443 1.00 0.00 C ATOM 1374 O VAL A 91 8.640 -0.047 3.875 1.00 0.00 O ATOM 1375 CB VAL A 91 5.533 0.349 2.910 1.00 0.00 C ATOM 1376 CG1 VAL A 91 4.557 -0.451 3.807 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.762 1.247 1.915 1.00 0.00 C ATOM 0 H VAL A 91 7.794 1.742 2.158 1.00 0.00 H new ATOM 0 HA VAL A 91 5.988 1.725 4.520 1.00 0.00 H new ATOM 0 HB VAL A 91 6.111 -0.367 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.862 -1.010 3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.121 -1.144 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.999 0.237 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.063 0.638 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.212 2.011 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.467 1.726 1.236 1.00 0.00 H new ATOM 1387 N GLN A 92 7.251 -0.234 5.652 1.00 0.00 N ATOM 1388 CA GLN A 92 8.084 -1.173 6.421 1.00 0.00 C ATOM 1389 C GLN A 92 7.187 -2.081 7.279 1.00 0.00 C ATOM 1390 O GLN A 92 6.111 -1.673 7.734 1.00 0.00 O ATOM 1391 CB GLN A 92 9.116 -0.394 7.284 1.00 0.00 C ATOM 1392 CG GLN A 92 8.508 0.663 8.231 1.00 0.00 C ATOM 1393 CD GLN A 92 9.535 1.636 8.822 1.00 0.00 C ATOM 1394 OE1 GLN A 92 10.588 1.899 8.234 1.00 0.00 O ATOM 1395 NE2 GLN A 92 9.219 2.216 9.963 1.00 0.00 N ATOM 0 H GLN A 92 6.391 0.030 6.132 1.00 0.00 H new ATOM 0 HA GLN A 92 8.646 -1.809 5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.684 -1.110 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.824 0.100 6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.754 1.233 7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.995 0.153 9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.343 1.981 10.429 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.851 2.900 10.380 1.00 0.00 H new ATOM 1404 N PHE A 93 7.639 -3.324 7.467 1.00 0.00 N ATOM 1405 CA PHE A 93 6.882 -4.392 8.132 1.00 0.00 C ATOM 1406 C PHE A 93 7.780 -5.019 9.217 1.00 0.00 C ATOM 1407 O PHE A 93 8.845 -5.558 8.902 1.00 0.00 O ATOM 1408 CB PHE A 93 6.470 -5.480 7.095 1.00 0.00 C ATOM 1409 CG PHE A 93 5.666 -4.981 5.886 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.307 -4.552 4.716 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.277 -4.949 5.914 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.580 -4.108 3.626 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.552 -4.507 4.819 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.201 -4.085 3.678 1.00 0.00 C ATOM 0 H PHE A 93 8.562 -3.624 7.154 1.00 0.00 H new ATOM 0 HA PHE A 93 5.977 -3.982 8.582 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.374 -5.968 6.730 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.883 -6.241 7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.386 -4.568 4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.755 -5.273 6.802 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.092 -3.779 2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.473 -4.493 4.859 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.632 -3.738 2.828 1.00 0.00 H new ATOM 1424 N ALA A 94 7.368 -4.922 10.485 1.00 0.00 N ATOM 1425 CA ALA A 94 8.124 -5.467 11.624 1.00 0.00 C ATOM 1426 C ALA A 94 7.531 -6.824 12.046 1.00 0.00 C ATOM 1427 O ALA A 94 6.472 -6.877 12.663 1.00 0.00 O ATOM 1428 CB ALA A 94 8.123 -4.461 12.791 1.00 0.00 C ATOM 0 H ALA A 94 6.498 -4.462 10.754 1.00 0.00 H new ATOM 0 HA ALA A 94 9.160 -5.631 11.327 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.685 -4.875 13.628 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.586 -3.529 12.468 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.097 -4.267 13.103 1.00 0.00 H new ATOM 1434 N SER A 95 8.205 -7.912 11.645 1.00 0.00 N ATOM 1435 CA SER A 95 7.813 -9.293 11.980 1.00 0.00 C ATOM 1436 C SER A 95 7.932 -9.541 13.498 1.00 0.00 C ATOM 1437 O SER A 95 8.925 -9.151 14.122 1.00 0.00 O ATOM 1438 CB SER A 95 8.708 -10.277 11.202 1.00 0.00 C ATOM 1439 OG SER A 95 8.252 -11.612 11.317 1.00 0.00 O ATOM 0 H SER A 95 9.047 -7.859 11.072 1.00 0.00 H new ATOM 0 HA SER A 95 6.772 -9.448 11.696 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.732 -9.991 10.150 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.730 -10.210 11.574 1.00 0.00 H new ATOM 0 HG SER A 95 8.844 -12.205 10.809 1.00 0.00 H new ATOM 1445 N GLU A 96 6.912 -10.195 14.068 1.00 0.00 N ATOM 1446 CA GLU A 96 6.744 -10.370 15.524 1.00 0.00 C ATOM 1447 C GLU A 96 6.166 -11.770 15.844 1.00 0.00 C ATOM 1448 O GLU A 96 5.609 -12.426 14.953 1.00 0.00 O ATOM 1449 CB GLU A 96 5.781 -9.282 16.076 1.00 0.00 C ATOM 1450 CG GLU A 96 6.299 -7.846 15.961 1.00 0.00 C ATOM 1451 CD GLU A 96 5.293 -6.813 16.466 1.00 0.00 C ATOM 1452 OE1 GLU A 96 4.381 -6.451 15.704 1.00 0.00 O ATOM 1453 OE2 GLU A 96 5.395 -6.360 17.626 1.00 0.00 O ATOM 0 H GLU A 96 6.165 -10.627 13.524 1.00 0.00 H new ATOM 0 HA GLU A 96 7.722 -10.275 15.996 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.832 -9.354 15.545 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.577 -9.496 17.125 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.225 -7.752 16.528 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.540 -7.633 14.919 1.00 0.00 H new ATOM 1460 N PRO A 97 6.278 -12.245 17.126 1.00 0.00 N ATOM 1461 CA PRO A 97 5.538 -13.447 17.608 1.00 0.00 C ATOM 1462 C PRO A 97 4.008 -13.215 17.666 1.00 0.00 C ATOM 1463 O PRO A 97 3.231 -14.175 17.634 1.00 0.00 O ATOM 1464 CB PRO A 97 6.140 -13.700 19.017 1.00 0.00 C ATOM 1465 CG PRO A 97 6.683 -12.368 19.449 1.00 0.00 C ATOM 1466 CD PRO A 97 7.173 -11.699 18.190 1.00 0.00 C ATOM 0 HA PRO A 97 5.650 -14.300 16.939 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.382 -14.062 19.712 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.926 -14.455 18.981 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.912 -11.770 19.935 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.493 -12.490 20.168 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.098 -10.614 18.258 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.219 -11.934 17.993 1.00 0.00 H new ATOM 1474 N GLY A 98 3.593 -11.935 17.763 1.00 0.00 N ATOM 1475 CA GLY A 98 2.175 -11.550 17.742 1.00 0.00 C ATOM 1476 C GLY A 98 1.621 -11.454 16.327 1.00 0.00 C ATOM 1477 O GLY A 98 0.426 -11.683 16.101 1.00 0.00 O ATOM 0 H GLY A 98 4.232 -11.146 17.858 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.595 -12.279 18.308 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.055 -10.589 18.242 1.00 0.00 H new ATOM 1481 N GLY A 99 2.502 -11.102 15.380 1.00 0.00 N ATOM 1482 CA GLY A 99 2.133 -10.978 13.979 1.00 0.00 C ATOM 1483 C GLY A 99 3.127 -10.115 13.219 1.00 0.00 C ATOM 1484 O GLY A 99 4.292 -10.473 13.114 1.00 0.00 O ATOM 0 H GLY A 99 3.483 -10.898 15.571 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.086 -11.968 13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.137 -10.543 13.901 1.00 0.00 H new ATOM 1488 N THR A 100 2.664 -8.980 12.686 1.00 0.00 N ATOM 1489 CA THR A 100 3.478 -8.042 11.914 1.00 0.00 C ATOM 1490 C THR A 100 2.941 -6.625 12.131 1.00 0.00 C ATOM 1491 O THR A 100 1.761 -6.347 11.853 1.00 0.00 O ATOM 1492 CB THR A 100 3.467 -8.378 10.384 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.010 -9.684 10.171 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.266 -7.353 9.548 1.00 0.00 C ATOM 0 H THR A 100 1.693 -8.684 12.782 1.00 0.00 H new ATOM 0 HA THR A 100 4.509 -8.121 12.260 1.00 0.00 H new ATOM 0 HB THR A 100 2.429 -8.337 10.055 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.329 -10.359 10.376 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.226 -7.632 8.495 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.832 -6.361 9.677 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.304 -7.341 9.881 1.00 0.00 H new ATOM 1502 N TRP A 101 3.796 -5.746 12.656 1.00 0.00 N ATOM 1503 CA TRP A 101 3.493 -4.322 12.768 1.00 0.00 C ATOM 1504 C TRP A 101 3.782 -3.641 11.426 1.00 0.00 C ATOM 1505 O TRP A 101 4.940 -3.407 11.068 1.00 0.00 O ATOM 1506 CB TRP A 101 4.320 -3.681 13.907 1.00 0.00 C ATOM 1507 CG TRP A 101 4.112 -2.191 14.062 1.00 0.00 C ATOM 1508 CD1 TRP A 101 2.918 -1.529 14.129 1.00 0.00 C ATOM 1509 CD2 TRP A 101 5.128 -1.189 14.184 1.00 0.00 C ATOM 1510 NE1 TRP A 101 3.139 -0.187 14.265 1.00 0.00 N ATOM 1511 CE2 TRP A 101 4.479 0.048 14.312 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.526 -1.220 14.195 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 5.175 1.243 14.452 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 7.219 -0.034 14.338 1.00 0.00 C ATOM 1515 CH2 TRP A 101 6.544 1.183 14.465 1.00 0.00 C ATOM 0 H TRP A 101 4.716 -6.002 13.014 1.00 0.00 H new ATOM 0 HA TRP A 101 2.439 -4.190 13.013 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.065 -4.172 14.846 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.378 -3.872 13.725 1.00 0.00 H new ATOM 0 HD1 TRP A 101 1.946 -1.996 14.082 1.00 0.00 H new ATOM 0 HE1 TRP A 101 2.413 0.527 14.322 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.055 -2.156 14.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 4.655 2.185 14.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.299 -0.047 14.352 1.00 0.00 H new ATOM 0 HH2 TRP A 101 7.113 2.094 14.576 1.00 0.00 H new ATOM 1526 N VAL A 102 2.714 -3.336 10.694 1.00 0.00 N ATOM 1527 CA VAL A 102 2.791 -2.649 9.407 1.00 0.00 C ATOM 1528 C VAL A 102 2.809 -1.155 9.688 1.00 0.00 C ATOM 1529 O VAL A 102 1.997 -0.670 10.474 1.00 0.00 O ATOM 1530 CB VAL A 102 1.553 -2.991 8.495 1.00 0.00 C ATOM 1531 CG1 VAL A 102 1.692 -2.365 7.086 1.00 0.00 C ATOM 1532 CG2 VAL A 102 1.333 -4.513 8.426 1.00 0.00 C ATOM 0 H VAL A 102 1.761 -3.561 10.980 1.00 0.00 H new ATOM 0 HA VAL A 102 3.689 -2.970 8.878 1.00 0.00 H new ATOM 0 HB VAL A 102 0.667 -2.547 8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.819 -2.623 6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.764 -1.281 7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.591 -2.750 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.473 -4.728 7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.220 -4.990 8.009 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.150 -4.900 9.428 1.00 0.00 H new ATOM 1542 N GLN A 103 3.748 -0.444 9.081 1.00 0.00 N ATOM 1543 CA GLN A 103 3.849 1.001 9.215 1.00 0.00 C ATOM 1544 C GLN A 103 4.300 1.593 7.886 1.00 0.00 C ATOM 1545 O GLN A 103 5.327 1.198 7.339 1.00 0.00 O ATOM 1546 CB GLN A 103 4.837 1.396 10.345 1.00 0.00 C ATOM 1547 CG GLN A 103 4.843 2.909 10.639 1.00 0.00 C ATOM 1548 CD GLN A 103 5.930 3.358 11.606 1.00 0.00 C ATOM 1549 OE1 GLN A 103 7.007 2.768 11.681 1.00 0.00 O ATOM 1550 NE2 GLN A 103 5.675 4.426 12.338 1.00 0.00 N ATOM 0 H GLN A 103 4.463 -0.854 8.480 1.00 0.00 H new ATOM 0 HA GLN A 103 2.870 1.398 9.483 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.574 0.856 11.255 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.843 1.082 10.067 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.964 3.449 9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.872 3.191 11.046 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.774 4.897 12.257 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.379 4.781 12.985 1.00 0.00 H new ATOM 1559 N GLU A 104 3.509 2.521 7.367 1.00 0.00 N ATOM 1560 CA GLU A 104 3.847 3.289 6.173 1.00 0.00 C ATOM 1561 C GLU A 104 4.139 4.734 6.596 1.00 0.00 C ATOM 1562 O GLU A 104 3.553 5.243 7.542 1.00 0.00 O ATOM 1563 CB GLU A 104 2.682 3.228 5.157 1.00 0.00 C ATOM 1564 CG GLU A 104 2.923 4.014 3.855 1.00 0.00 C ATOM 1565 CD GLU A 104 1.719 3.990 2.910 1.00 0.00 C ATOM 1566 OE1 GLU A 104 1.621 3.061 2.071 1.00 0.00 O ATOM 1567 OE2 GLU A 104 0.871 4.900 3.008 1.00 0.00 O ATOM 0 H GLU A 104 2.603 2.766 7.767 1.00 0.00 H new ATOM 0 HA GLU A 104 4.729 2.871 5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.491 2.185 4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.780 3.611 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.164 5.048 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.790 3.598 3.341 1.00 0.00 H new ATOM 1574 N THR A 105 5.082 5.357 5.915 1.00 0.00 N ATOM 1575 CA THR A 105 5.434 6.755 6.080 1.00 0.00 C ATOM 1576 C THR A 105 5.536 7.359 4.679 1.00 0.00 C ATOM 1577 O THR A 105 6.479 7.070 3.938 1.00 0.00 O ATOM 1578 CB THR A 105 6.776 6.919 6.865 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.682 6.233 8.125 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.121 8.391 7.113 1.00 0.00 C ATOM 0 H THR A 105 5.644 4.887 5.206 1.00 0.00 H new ATOM 0 HA THR A 105 4.674 7.271 6.667 1.00 0.00 H new ATOM 0 HB THR A 105 7.570 6.488 6.255 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.524 6.335 8.616 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.061 8.457 7.661 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.221 8.907 6.158 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.327 8.857 7.696 1.00 0.00 H new ATOM 1588 N PHE A 106 4.574 8.200 4.339 1.00 0.00 N ATOM 1589 CA PHE A 106 4.397 8.739 2.986 1.00 0.00 C ATOM 1590 C PHE A 106 4.492 10.255 3.069 1.00 0.00 C ATOM 1591 O PHE A 106 4.165 10.830 4.111 1.00 0.00 O ATOM 1592 CB PHE A 106 3.020 8.301 2.401 1.00 0.00 C ATOM 1593 CG PHE A 106 1.801 8.716 3.240 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.382 7.940 4.321 1.00 0.00 C ATOM 1595 CD2 PHE A 106 1.083 9.884 2.956 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.293 8.312 5.087 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.006 10.256 3.726 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.400 9.469 4.790 1.00 0.00 C ATOM 0 H PHE A 106 3.877 8.538 5.002 1.00 0.00 H new ATOM 0 HA PHE A 106 5.171 8.354 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.915 8.722 1.401 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.016 7.216 2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.917 7.034 4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.383 10.504 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.016 7.697 5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.547 11.162 3.494 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.250 9.758 5.390 1.00 0.00 H new ATOM 1608 N ASP A 107 4.932 10.911 1.993 1.00 0.00 N ATOM 1609 CA ASP A 107 4.986 12.377 1.973 1.00 0.00 C ATOM 1610 C ASP A 107 3.586 12.903 1.632 1.00 0.00 C ATOM 1611 O ASP A 107 2.955 12.432 0.675 1.00 0.00 O ATOM 1612 CB ASP A 107 6.041 12.923 0.972 1.00 0.00 C ATOM 1613 CG ASP A 107 6.411 14.398 1.266 1.00 0.00 C ATOM 1614 OD1 ASP A 107 7.175 14.637 2.229 1.00 0.00 O ATOM 1615 OD2 ASP A 107 5.920 15.320 0.574 1.00 0.00 O ATOM 0 H ASP A 107 5.252 10.460 1.136 1.00 0.00 H new ATOM 0 HA ASP A 107 5.298 12.728 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.939 12.307 1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.653 12.842 -0.043 1.00 0.00 H new ATOM 1620 N ALA A 108 3.127 13.879 2.411 1.00 0.00 N ATOM 1621 CA ALA A 108 1.801 14.463 2.302 1.00 0.00 C ATOM 1622 C ALA A 108 1.790 15.485 1.167 1.00 0.00 C ATOM 1623 O ALA A 108 2.694 16.327 1.074 1.00 0.00 O ATOM 1624 CB ALA A 108 1.407 15.116 3.633 1.00 0.00 C ATOM 0 H ALA A 108 3.687 14.295 3.156 1.00 0.00 H new ATOM 0 HA ALA A 108 1.072 13.684 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.412 15.552 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.404 14.363 4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.125 15.898 3.881 1.00 0.00 H new ATOM 1630 N GLU A 109 0.771 15.375 0.320 1.00 0.00 N ATOM 1631 CA GLU A 109 0.603 16.189 -0.879 1.00 0.00 C ATOM 1632 C GLU A 109 0.219 17.626 -0.484 1.00 0.00 C ATOM 1633 O GLU A 109 -0.800 17.843 0.171 1.00 0.00 O ATOM 1634 CB GLU A 109 -0.476 15.531 -1.787 1.00 0.00 C ATOM 1635 CG GLU A 109 -0.913 16.357 -3.012 1.00 0.00 C ATOM 1636 CD GLU A 109 0.242 16.709 -3.966 1.00 0.00 C ATOM 1637 OE1 GLU A 109 0.598 15.871 -4.826 1.00 0.00 O ATOM 1638 OE2 GLU A 109 0.782 17.837 -3.875 1.00 0.00 O ATOM 0 H GLU A 109 0.019 14.699 0.452 1.00 0.00 H new ATOM 0 HA GLU A 109 1.537 16.242 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.094 14.572 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.357 15.322 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.670 15.800 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.382 17.279 -2.669 1.00 0.00 H new ATOM 1688 N THR A 113 -5.256 18.664 1.887 1.00 0.00 N ATOM 1689 CA THR A 113 -5.072 18.711 3.348 1.00 0.00 C ATOM 1690 C THR A 113 -4.401 17.408 3.870 1.00 0.00 C ATOM 1691 O THR A 113 -4.973 16.328 3.697 1.00 0.00 O ATOM 1692 CB THR A 113 -6.446 18.931 4.069 1.00 0.00 C ATOM 1693 OG1 THR A 113 -7.051 20.149 3.608 1.00 0.00 O ATOM 1694 CG2 THR A 113 -6.307 18.978 5.603 1.00 0.00 C ATOM 0 HA THR A 113 -4.415 19.551 3.574 1.00 0.00 H new ATOM 0 HB THR A 113 -7.077 18.077 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.816 20.296 2.668 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.288 19.132 6.053 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.888 18.037 5.959 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.646 19.798 5.883 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.184 17.497 4.512 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.441 16.322 5.050 1.00 0.00 C ATOM 1704 C PRO A 114 -3.275 15.438 5.999 1.00 0.00 C ATOM 1705 O PRO A 114 -3.233 14.216 5.896 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.246 16.966 5.799 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.029 18.263 5.098 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.415 18.754 4.742 1.00 0.00 C ATOM 0 HA PRO A 114 -2.150 15.640 4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.473 17.117 6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.359 16.334 5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.511 18.976 5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.416 18.132 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.849 19.348 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.401 19.384 3.853 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.025 16.078 6.916 1.00 0.00 N ATOM 1717 CA ALA A 115 -4.907 15.381 7.884 1.00 0.00 C ATOM 1718 C ALA A 115 -5.941 14.470 7.190 1.00 0.00 C ATOM 1719 O ALA A 115 -6.125 13.307 7.585 1.00 0.00 O ATOM 1720 CB ALA A 115 -5.610 16.412 8.776 1.00 0.00 C ATOM 0 H ALA A 115 -4.040 17.094 7.010 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.280 14.733 8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.257 15.897 9.486 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -4.864 16.992 9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.209 17.080 8.157 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.602 15.021 6.155 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.581 14.281 5.332 1.00 0.00 C ATOM 1728 C GLN A 116 -6.927 13.066 4.639 1.00 0.00 C ATOM 1729 O GLN A 116 -7.538 11.989 4.542 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.211 15.225 4.280 1.00 0.00 C ATOM 1731 CG GLN A 116 -9.078 16.369 4.863 1.00 0.00 C ATOM 1732 CD GLN A 116 -10.351 15.892 5.578 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -10.932 14.863 5.229 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -10.814 16.651 6.558 1.00 0.00 N ATOM 0 H GLN A 116 -6.474 15.990 5.865 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.364 13.907 5.991 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.412 15.663 3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.826 14.632 3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.475 16.945 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.360 17.044 4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.313 17.498 6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -11.671 16.389 7.044 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.671 13.256 4.191 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.888 12.203 3.515 1.00 0.00 C ATOM 1745 C GLN A 117 -4.555 11.082 4.496 1.00 0.00 C ATOM 1746 O GLN A 117 -4.733 9.915 4.178 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.572 12.759 2.936 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.743 13.931 1.963 1.00 0.00 C ATOM 1749 CD GLN A 117 -2.411 14.552 1.577 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.394 13.863 1.510 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -2.392 15.852 1.370 1.00 0.00 N ATOM 0 H GLN A 117 -5.172 14.140 4.287 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.499 11.820 2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.935 13.079 3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -3.048 11.953 2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.255 13.585 1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.378 14.691 2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.255 16.391 1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.514 16.320 1.146 1.00 0.00 H new ATOM 1760 N GLN A 118 -4.089 11.471 5.700 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.666 10.534 6.755 1.00 0.00 C ATOM 1762 C GLN A 118 -4.794 9.563 7.101 1.00 0.00 C ATOM 1763 O GLN A 118 -4.587 8.356 7.103 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.234 11.305 8.031 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.935 10.399 9.249 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.520 11.154 10.510 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -2.883 12.311 10.716 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -1.782 10.493 11.379 1.00 0.00 N ATOM 0 H GLN A 118 -3.996 12.451 5.967 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.815 9.968 6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.345 11.893 7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.021 12.009 8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.822 9.805 9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.142 9.700 8.981 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.496 9.534 11.180 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.497 10.940 12.250 1.00 0.00 H new ATOM 1777 N ALA A 119 -5.983 10.128 7.354 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.198 9.360 7.663 1.00 0.00 C ATOM 1779 C ALA A 119 -7.586 8.435 6.490 1.00 0.00 C ATOM 1780 O ALA A 119 -8.071 7.318 6.705 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.344 10.324 7.983 1.00 0.00 C ATOM 0 H ALA A 119 -6.130 11.137 7.350 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.000 8.730 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.245 9.755 8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.074 10.938 8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.530 10.967 7.122 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.350 8.925 5.254 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.637 8.163 4.032 1.00 0.00 C ATOM 1789 C GLY A 120 -6.749 6.934 3.862 1.00 0.00 C ATOM 1790 O GLY A 120 -7.253 5.814 3.762 1.00 0.00 O ATOM 0 H GLY A 120 -6.959 9.851 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.681 7.849 4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.511 8.815 3.168 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.424 7.156 3.849 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.413 6.085 3.760 1.00 0.00 C ATOM 1796 C TRP A 121 -4.525 5.102 4.945 1.00 0.00 C ATOM 1797 O TRP A 121 -4.352 3.897 4.772 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.992 6.689 3.725 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.614 7.373 2.432 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.776 8.691 2.108 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.977 6.766 1.303 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -2.282 8.935 0.856 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.787 7.770 0.340 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -1.548 5.467 1.015 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -1.183 7.518 -0.890 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 -0.949 5.218 -0.203 1.00 0.00 C ATOM 1807 CH2 TRP A 121 -0.771 6.239 -1.142 1.00 0.00 C ATOM 0 H TRP A 121 -5.020 8.091 3.900 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.599 5.535 2.838 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.901 7.409 4.538 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.272 5.894 3.921 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.229 9.433 2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.283 9.839 0.384 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -1.683 4.672 1.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -1.045 8.304 -1.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -0.612 4.218 -0.435 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -0.298 6.012 -2.086 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.812 5.645 6.145 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.052 4.853 7.369 1.00 0.00 C ATOM 1820 C GLN A 122 -6.315 3.992 7.209 1.00 0.00 C ATOM 1821 O GLN A 122 -6.365 2.874 7.700 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.205 5.796 8.597 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.414 5.103 9.964 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.231 4.251 10.438 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -3.082 4.503 10.097 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -4.502 3.264 11.268 1.00 0.00 N ATOM 0 H GLN A 122 -4.884 6.652 6.294 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.197 4.196 7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.315 6.422 8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.050 6.461 8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.619 5.866 10.715 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.299 4.470 9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.467 3.074 11.537 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.746 2.690 11.642 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.323 4.545 6.507 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.559 3.822 6.185 1.00 0.00 C ATOM 1837 C GLY A 123 -8.346 2.680 5.194 1.00 0.00 C ATOM 1838 O GLY A 123 -8.965 1.626 5.317 1.00 0.00 O ATOM 0 H GLY A 123 -7.300 5.501 6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.988 3.422 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.285 4.522 5.772 1.00 0.00 H new ATOM 1842 N ILE A 124 -7.439 2.906 4.229 1.00 0.00 N ATOM 1843 CA ILE A 124 -7.046 1.906 3.213 1.00 0.00 C ATOM 1844 C ILE A 124 -6.175 0.806 3.860 1.00 0.00 C ATOM 1845 O ILE A 124 -6.295 -0.380 3.524 1.00 0.00 O ATOM 1846 CB ILE A 124 -6.268 2.607 2.029 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -7.191 3.654 1.323 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -5.705 1.585 1.009 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -6.513 4.489 0.246 1.00 0.00 C ATOM 0 H ILE A 124 -6.951 3.796 4.128 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.945 1.442 2.807 1.00 0.00 H new ATOM 0 HB ILE A 124 -5.410 3.124 2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -8.035 3.129 0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -7.598 4.325 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -5.179 2.115 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -5.014 0.910 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.525 1.010 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -7.234 5.184 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.687 5.048 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -6.131 3.833 -0.536 1.00 0.00 H new ATOM 1861 N LEU A 125 -5.328 1.225 4.811 1.00 0.00 N ATOM 1862 CA LEU A 125 -4.412 0.334 5.542 1.00 0.00 C ATOM 1863 C LEU A 125 -5.187 -0.487 6.595 1.00 0.00 C ATOM 1864 O LEU A 125 -4.839 -1.633 6.883 1.00 0.00 O ATOM 1865 CB LEU A 125 -3.280 1.171 6.205 1.00 0.00 C ATOM 1866 CG LEU A 125 -2.157 0.366 6.929 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.463 -0.630 5.973 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -1.134 1.311 7.593 1.00 0.00 C ATOM 0 H LEU A 125 -5.258 2.201 5.098 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.957 -0.366 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.816 1.789 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.734 1.849 6.927 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.631 -0.219 7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.687 -1.172 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.198 -1.337 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.014 -0.085 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.363 0.722 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.674 1.942 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.641 1.938 8.327 1.00 0.00 H new ATOM 1880 N ASP A 126 -6.238 0.123 7.165 1.00 0.00 N ATOM 1881 CA ASP A 126 -7.157 -0.539 8.115 1.00 0.00 C ATOM 1882 C ASP A 126 -8.126 -1.470 7.369 1.00 0.00 C ATOM 1883 O ASP A 126 -8.589 -2.466 7.926 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.943 0.521 8.929 1.00 0.00 C ATOM 1885 CG ASP A 126 -8.762 -0.073 10.086 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -8.152 -0.556 11.060 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -10.005 -0.072 10.032 1.00 0.00 O ATOM 0 H ASP A 126 -6.479 1.097 6.981 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.566 -1.141 8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.241 1.252 9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.614 1.058 8.258 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.427 -1.122 6.102 1.00 0.00 N ATOM 1893 CA ASN A 127 -9.238 -1.971 5.195 1.00 0.00 C ATOM 1894 C ASN A 127 -8.395 -3.166 4.722 1.00 0.00 C ATOM 1895 O ASN A 127 -8.920 -4.257 4.467 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.738 -1.143 3.978 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.697 -1.909 3.055 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -11.913 -1.895 3.250 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.162 -2.565 2.032 1.00 0.00 N ATOM 0 H ASN A 127 -8.118 -0.248 5.676 1.00 0.00 H new ATOM 0 HA ASN A 127 -10.110 -2.340 5.735 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -10.239 -0.246 4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.877 -0.813 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -10.762 -3.075 1.383 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.151 -2.559 1.895 1.00 0.00 H new ATOM 1906 N PHE A 128 -7.078 -2.923 4.601 1.00 0.00 N ATOM 1907 CA PHE A 128 -6.081 -3.954 4.291 1.00 0.00 C ATOM 1908 C PHE A 128 -5.911 -4.900 5.490 1.00 0.00 C ATOM 1909 O PHE A 128 -5.870 -6.117 5.311 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.727 -3.299 3.906 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.585 -4.293 3.694 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -3.621 -5.197 2.638 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.495 -4.346 4.568 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -2.608 -6.111 2.450 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -1.484 -5.267 4.382 1.00 0.00 C ATOM 1916 CZ PHE A 128 -1.542 -6.150 3.322 1.00 0.00 C ATOM 0 H PHE A 128 -6.675 -1.993 4.718 1.00 0.00 H new ATOM 0 HA PHE A 128 -6.429 -4.537 3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.864 -2.720 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.441 -2.596 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -4.457 -5.182 1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.443 -3.658 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -2.649 -6.798 1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.648 -5.297 5.065 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.752 -6.871 3.176 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.816 -4.326 6.709 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.753 -5.100 7.961 1.00 0.00 C ATOM 1928 C LYS A 129 -7.010 -5.974 8.096 1.00 0.00 C ATOM 1929 O LYS A 129 -6.924 -7.163 8.420 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.623 -4.159 9.195 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.688 -4.898 10.554 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.677 -3.958 11.782 1.00 0.00 C ATOM 1933 CE LYS A 129 -6.035 -4.710 13.076 1.00 0.00 C ATOM 1934 NZ LYS A 129 -5.990 -3.843 14.283 1.00 0.00 N ATOM 0 H LYS A 129 -5.781 -3.316 6.849 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.870 -5.738 7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.678 -3.619 9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.419 -3.415 9.158 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.592 -5.506 10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.842 -5.582 10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.691 -3.505 11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -6.386 -3.145 11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -7.034 -5.135 12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.345 -5.543 13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.240 -4.404 15.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -5.031 -3.457 14.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.667 -3.061 14.174 1.00 0.00 H new ATOM 1948 N ARG A 130 -8.169 -5.360 7.786 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.478 -6.032 7.799 1.00 0.00 C ATOM 1950 C ARG A 130 -9.446 -7.229 6.842 1.00 0.00 C ATOM 1951 O ARG A 130 -9.879 -8.319 7.201 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.611 -5.016 7.427 1.00 0.00 C ATOM 1953 CG ARG A 130 -12.068 -5.433 7.795 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.701 -6.481 6.854 1.00 0.00 C ATOM 1955 NE ARG A 130 -14.019 -6.936 7.322 1.00 0.00 N ATOM 1956 CZ ARG A 130 -14.679 -8.009 6.854 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -14.159 -8.759 5.888 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -15.841 -8.354 7.391 1.00 0.00 N ATOM 0 H ARG A 130 -8.220 -4.377 7.518 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.693 -6.405 8.800 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.393 -4.067 7.918 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.569 -4.836 6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -12.072 -5.829 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -12.696 -4.542 7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.801 -6.055 5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.033 -7.338 6.769 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.468 -6.394 8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -13.249 -8.523 5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -14.670 -9.571 5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -16.232 -7.806 8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -16.344 -9.168 7.038 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.886 -7.004 5.639 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.773 -8.035 4.594 1.00 0.00 C ATOM 1974 C TYR A 131 -7.920 -9.232 5.058 1.00 0.00 C ATOM 1975 O TYR A 131 -8.385 -10.373 5.013 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.204 -7.428 3.280 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.812 -8.476 2.219 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.722 -9.452 1.798 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.524 -8.516 1.676 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.367 -10.415 0.876 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.169 -9.483 0.758 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.093 -10.428 0.360 1.00 0.00 C ATOM 1983 OH TYR A 131 -6.744 -11.392 -0.561 1.00 0.00 O ATOM 0 H TYR A 131 -8.499 -6.101 5.365 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.777 -8.409 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.947 -6.754 2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.328 -6.825 3.521 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.723 -9.451 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.796 -7.779 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.087 -11.156 0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.169 -9.500 0.351 1.00 0.00 H new ATOM 0 HH TYR A 131 -5.910 -11.133 -1.005 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.686 -8.962 5.507 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.705 -10.014 5.849 1.00 0.00 C ATOM 1995 C VAL A 132 -6.223 -10.909 6.998 1.00 0.00 C ATOM 1996 O VAL A 132 -6.023 -12.131 6.989 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.312 -9.376 6.221 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.283 -10.441 6.648 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.755 -8.535 5.052 1.00 0.00 C ATOM 0 H VAL A 132 -6.336 -8.014 5.645 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.570 -10.645 4.971 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.485 -8.720 7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.339 -9.956 6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.655 -10.977 7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.127 -11.144 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.794 -8.107 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.624 -9.171 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.454 -7.732 4.816 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.938 -10.287 7.953 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.442 -10.975 9.156 1.00 0.00 C ATOM 2011 C GLU A 133 -8.804 -11.661 8.914 1.00 0.00 C ATOM 2012 O GLU A 133 -9.128 -12.646 9.586 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.511 -9.979 10.343 1.00 0.00 C ATOM 2014 CG GLU A 133 -6.159 -9.282 10.631 1.00 0.00 C ATOM 2015 CD GLU A 133 -6.093 -8.496 11.950 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -7.087 -7.848 12.325 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -5.043 -8.516 12.614 1.00 0.00 O ATOM 0 H GLU A 133 -7.182 -9.297 7.913 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.741 -11.772 9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -8.265 -9.221 10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.836 -10.511 11.237 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.374 -10.038 10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.938 -8.600 9.810 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.599 -11.152 7.957 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.931 -11.724 7.632 1.00 0.00 C ATOM 2026 C ALA A 134 -10.788 -12.913 6.680 1.00 0.00 C ATOM 2027 O ALA A 134 -11.351 -13.992 6.909 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.839 -10.657 7.016 1.00 0.00 C ATOM 0 H ALA A 134 -9.347 -10.343 7.389 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.387 -12.074 8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.810 -11.095 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.970 -9.838 7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.385 -10.277 6.101 1.00 0.00 H new ATOM 2034 N ALA A 135 -10.016 -12.684 5.611 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.692 -13.699 4.601 1.00 0.00 C ATOM 2036 C ALA A 135 -8.806 -14.793 5.215 1.00 0.00 C ATOM 2037 O ALA A 135 -8.924 -15.979 4.871 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.996 -13.040 3.405 1.00 0.00 C ATOM 0 H ALA A 135 -9.593 -11.776 5.420 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.614 -14.164 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -8.758 -13.798 2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.657 -12.293 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.077 -12.559 3.739 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.908 -14.365 6.122 1.00 0.00 N ATOM 2045 CA GLY A 136 -7.068 -15.277 6.894 1.00 0.00 C ATOM 2046 C GLY A 136 -5.717 -15.543 6.242 1.00 0.00 C ATOM 2047 O GLY A 136 -4.690 -15.519 6.917 1.00 0.00 O ATOM 0 H GLY A 136 -7.751 -13.380 6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -6.909 -14.861 7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.594 -16.223 7.025 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.746 -15.835 4.926 1.00 0.00 N ATOM 2052 CA LEU A 137 -4.568 -16.135 4.065 1.00 0.00 C ATOM 2053 C LEU A 137 -3.958 -17.536 4.333 1.00 0.00 C ATOM 2054 O LEU A 137 -3.450 -18.166 3.402 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.459 -15.046 4.132 1.00 0.00 C ATOM 2056 CG LEU A 137 -3.885 -13.578 3.814 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -2.661 -12.645 3.850 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.629 -13.462 2.466 1.00 0.00 C ATOM 0 H LEU A 137 -6.623 -15.872 4.406 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.970 -16.133 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.027 -15.064 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.667 -15.326 3.438 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.587 -13.268 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.974 -11.625 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.209 -12.677 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -1.932 -12.972 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -4.904 -12.422 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -3.980 -13.806 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.529 -14.076 2.493 1.00 0.00 H new