USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 429 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 32 GLN :FLIP amide:sc= -0.0541 F(o=-1.4!,f=-0.23) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.177 K(o=-0.23,f=-1.8!) USER MOD Set 2.1: A 22 GLN : amide:sc= 0.833 K(o=3.2,f=-4.8!) USER MOD Set 2.2: A 26 LYS NZ :NH3+ 173:sc= 2.42 (180deg=1.01) USER MOD Set 3.1: A 13 ASN : amide:sc= 1.07 K(o=2.3,f=-6.9!) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 143:sc= 1.24 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.04 USER MOD Single : A 6 GLN : amide:sc= -1.94! C(o=-1.9!,f=-7.7!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -26:sc= 0.68 USER MOD Single : A 15 MET CE :methyl -143:sc= -0.263 (180deg=-0.869) USER MOD Single : A 16 SER OG : rot -44:sc= 0.193 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0745 F(o=-2.3!,f=-0.074) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 166:sc= -0.0262 (180deg=-0.331) USER MOD Single : A 40 ASN : amide:sc= 2.19 K(o=2.2,f=-7!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -49:sc= 0.294 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 53 HIS : no HD1:sc= -0.641 X(o=-0.64,f=-0.67) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.625 19.675 0.765 1.00 0.00 N ATOM 2 CA ALA A 1 -7.679 20.379 1.660 1.00 0.00 C ATOM 3 C ALA A 1 -6.565 19.446 2.126 1.00 0.00 C ATOM 4 O ALA A 1 -5.447 19.490 1.606 1.00 0.00 O ATOM 5 CB ALA A 1 -8.414 20.969 2.855 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.372 20.333 0.463 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.116 19.323 -0.070 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.053 18.875 1.273 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.223 21.192 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.703 21.483 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.165 21.678 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.901 20.170 3.414 1.00 0.00 H new ATOM 13 N THR A 2 -6.878 18.590 3.091 1.00 0.00 N ATOM 14 CA THR A 2 -5.882 17.714 3.684 1.00 0.00 C ATOM 15 C THR A 2 -5.649 16.483 2.814 1.00 0.00 C ATOM 16 O THR A 2 -6.601 15.829 2.378 1.00 0.00 O ATOM 17 CB THR A 2 -6.313 17.273 5.096 1.00 0.00 C ATOM 18 OG1 THR A 2 -6.734 18.414 5.853 1.00 0.00 O ATOM 19 CG2 THR A 2 -5.173 16.576 5.822 1.00 0.00 C ATOM 0 H THR A 2 -7.816 18.486 3.478 1.00 0.00 H new ATOM 0 HA THR A 2 -4.951 18.276 3.755 1.00 0.00 H new ATOM 0 HB THR A 2 -7.140 16.571 4.995 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.009 18.129 6.749 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.504 16.275 6.816 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.868 15.694 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.328 17.259 5.912 1.00 0.00 H new ATOM 27 N ALA A 3 -4.369 16.197 2.554 1.00 0.00 N ATOM 28 CA ALA A 3 -3.960 15.031 1.773 1.00 0.00 C ATOM 29 C ALA A 3 -4.446 15.128 0.330 1.00 0.00 C ATOM 30 O ALA A 3 -5.148 16.067 -0.048 1.00 0.00 O ATOM 31 CB ALA A 3 -4.454 13.741 2.425 1.00 0.00 C ATOM 0 H ALA A 3 -3.590 16.769 2.880 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.870 15.011 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.138 12.887 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.035 13.657 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.542 13.758 2.487 1.00 0.00 H new ATOM 37 N SER A 4 -4.038 14.177 -0.487 1.00 0.00 N ATOM 38 CA SER A 4 -4.481 14.138 -1.863 1.00 0.00 C ATOM 39 C SER A 4 -5.340 12.904 -2.109 1.00 0.00 C ATOM 40 O SER A 4 -4.917 11.776 -1.845 1.00 0.00 O ATOM 41 CB SER A 4 -3.270 14.133 -2.799 1.00 0.00 C ATOM 42 OG SER A 4 -3.658 14.090 -4.164 1.00 0.00 O ATOM 0 H SER A 4 -3.403 13.424 -0.222 1.00 0.00 H new ATOM 0 HA SER A 4 -5.083 15.024 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.669 15.024 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.640 13.273 -2.573 1.00 0.00 H new ATOM 0 HG SER A 4 -2.859 14.090 -4.731 1.00 0.00 H new ATOM 48 N PRO A 5 -6.564 13.107 -2.628 1.00 0.00 N ATOM 49 CA PRO A 5 -7.463 12.011 -2.993 1.00 0.00 C ATOM 50 C PRO A 5 -6.916 11.216 -4.167 1.00 0.00 C ATOM 51 O PRO A 5 -7.212 10.037 -4.325 1.00 0.00 O ATOM 52 CB PRO A 5 -8.764 12.724 -3.382 1.00 0.00 C ATOM 53 CG PRO A 5 -8.342 14.098 -3.765 1.00 0.00 C ATOM 54 CD PRO A 5 -7.184 14.425 -2.868 1.00 0.00 C ATOM 0 HA PRO A 5 -7.594 11.292 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.261 12.217 -4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.469 12.744 -2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.050 14.141 -4.814 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.156 14.810 -3.631 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.489 15.117 -3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.513 14.891 -1.939 1.00 0.00 H new ATOM 62 N GLN A 6 -6.085 11.872 -4.964 1.00 0.00 N ATOM 63 CA GLN A 6 -5.491 11.249 -6.139 1.00 0.00 C ATOM 64 C GLN A 6 -4.300 10.402 -5.725 1.00 0.00 C ATOM 65 O GLN A 6 -4.037 9.344 -6.290 1.00 0.00 O ATOM 66 CB GLN A 6 -5.056 12.316 -7.131 1.00 0.00 C ATOM 67 CG GLN A 6 -6.156 13.302 -7.488 1.00 0.00 C ATOM 68 CD GLN A 6 -7.414 12.660 -8.057 1.00 0.00 C ATOM 69 OE1 GLN A 6 -7.766 11.524 -7.735 1.00 0.00 O ATOM 70 NE2 GLN A 6 -8.102 13.390 -8.915 1.00 0.00 N ATOM 0 H GLN A 6 -5.805 12.842 -4.817 1.00 0.00 H new ATOM 0 HA GLN A 6 -6.233 10.609 -6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -4.210 12.863 -6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -4.705 11.831 -8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.423 13.869 -6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.766 14.016 -8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.782 14.327 -9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.954 13.017 -9.334 1.00 0.00 H new ATOM 79 N LEU A 7 -3.591 10.890 -4.722 1.00 0.00 N ATOM 80 CA LEU A 7 -2.497 10.151 -4.108 1.00 0.00 C ATOM 81 C LEU A 7 -3.073 8.944 -3.377 1.00 0.00 C ATOM 82 O LEU A 7 -2.549 7.836 -3.462 1.00 0.00 O ATOM 83 CB LEU A 7 -1.720 11.067 -3.145 1.00 0.00 C ATOM 84 CG LEU A 7 -0.317 10.593 -2.750 1.00 0.00 C ATOM 85 CD1 LEU A 7 -0.401 9.378 -1.850 1.00 0.00 C ATOM 86 CD2 LEU A 7 0.513 10.292 -3.990 1.00 0.00 C ATOM 0 H LEU A 7 -3.756 11.808 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.800 9.804 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.633 12.052 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.310 11.189 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 7 0.176 11.393 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.604 9.055 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.956 9.632 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.912 8.571 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.506 9.957 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.026 9.510 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.602 11.194 -4.596 1.00 0.00 H new ATOM 98 N SER A 8 -4.171 9.170 -2.675 1.00 0.00 N ATOM 99 CA SER A 8 -4.884 8.098 -2.001 1.00 0.00 C ATOM 100 C SER A 8 -5.342 7.053 -3.025 1.00 0.00 C ATOM 101 O SER A 8 -5.359 5.854 -2.749 1.00 0.00 O ATOM 102 CB SER A 8 -6.069 8.695 -1.242 1.00 0.00 C ATOM 103 OG SER A 8 -6.729 7.732 -0.435 1.00 0.00 O ATOM 0 H SER A 8 -4.590 10.092 -2.557 1.00 0.00 H new ATOM 0 HA SER A 8 -4.229 7.597 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.720 9.515 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.778 9.118 -1.954 1.00 0.00 H new ATOM 0 HG SER A 8 -7.478 8.156 0.033 1.00 0.00 H new ATOM 109 N SER A 9 -5.674 7.528 -4.221 1.00 0.00 N ATOM 110 CA SER A 9 -6.060 6.670 -5.330 1.00 0.00 C ATOM 111 C SER A 9 -4.915 5.760 -5.781 1.00 0.00 C ATOM 112 O SER A 9 -5.153 4.653 -6.265 1.00 0.00 O ATOM 113 CB SER A 9 -6.567 7.526 -6.488 1.00 0.00 C ATOM 114 OG SER A 9 -7.894 7.957 -6.234 1.00 0.00 O ATOM 0 H SER A 9 -5.682 8.523 -4.447 1.00 0.00 H new ATOM 0 HA SER A 9 -6.862 6.016 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.916 8.390 -6.624 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.534 6.953 -7.415 1.00 0.00 H new ATOM 0 HG SER A 9 -8.336 7.319 -5.636 1.00 0.00 H new ATOM 120 N GLU A 10 -3.678 6.227 -5.634 1.00 0.00 N ATOM 121 CA GLU A 10 -2.515 5.411 -5.959 1.00 0.00 C ATOM 122 C GLU A 10 -2.516 4.165 -5.081 1.00 0.00 C ATOM 123 O GLU A 10 -2.316 3.041 -5.555 1.00 0.00 O ATOM 124 CB GLU A 10 -1.225 6.207 -5.748 1.00 0.00 C ATOM 125 CG GLU A 10 -1.270 7.622 -6.308 1.00 0.00 C ATOM 126 CD GLU A 10 -1.390 7.685 -7.818 1.00 0.00 C ATOM 127 OE1 GLU A 10 -2.417 7.238 -8.363 1.00 0.00 O ATOM 128 OE2 GLU A 10 -0.454 8.204 -8.466 1.00 0.00 O ATOM 0 H GLU A 10 -3.457 7.163 -5.293 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.565 5.117 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.012 6.257 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.399 5.670 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.114 8.150 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.367 8.151 -6.003 1.00 0.00 H new ATOM 135 N ILE A 11 -2.761 4.381 -3.792 1.00 0.00 N ATOM 136 CA ILE A 11 -2.943 3.294 -2.845 1.00 0.00 C ATOM 137 C ILE A 11 -4.064 2.371 -3.309 1.00 0.00 C ATOM 138 O ILE A 11 -3.917 1.150 -3.319 1.00 0.00 O ATOM 139 CB ILE A 11 -3.274 3.826 -1.429 1.00 0.00 C ATOM 140 CG1 ILE A 11 -2.039 4.444 -0.773 1.00 0.00 C ATOM 141 CG2 ILE A 11 -3.861 2.733 -0.556 1.00 0.00 C ATOM 142 CD1 ILE A 11 -1.802 5.884 -1.158 1.00 0.00 C ATOM 0 H ILE A 11 -2.838 5.311 -3.379 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.005 2.741 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.026 4.608 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.144 4.380 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.162 3.856 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.083 3.136 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.779 2.358 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.144 1.918 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.909 6.253 -0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.665 5.954 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.661 6.486 -0.862 1.00 0.00 H new ATOM 154 N GLU A 12 -5.174 2.969 -3.714 1.00 0.00 N ATOM 155 CA GLU A 12 -6.325 2.210 -4.181 1.00 0.00 C ATOM 156 C GLU A 12 -5.958 1.337 -5.385 1.00 0.00 C ATOM 157 O GLU A 12 -6.574 0.295 -5.610 1.00 0.00 O ATOM 158 CB GLU A 12 -7.482 3.150 -4.538 1.00 0.00 C ATOM 159 CG GLU A 12 -7.894 4.075 -3.398 1.00 0.00 C ATOM 160 CD GLU A 12 -9.111 4.916 -3.733 1.00 0.00 C ATOM 161 OE1 GLU A 12 -8.968 5.953 -4.417 1.00 0.00 O ATOM 162 OE2 GLU A 12 -10.221 4.540 -3.310 1.00 0.00 O ATOM 0 H GLU A 12 -5.303 3.981 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.645 1.555 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.195 3.754 -5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.343 2.554 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.104 3.479 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.061 4.733 -3.151 1.00 0.00 H new ATOM 169 N ASN A 13 -4.943 1.755 -6.139 1.00 0.00 N ATOM 170 CA ASN A 13 -4.483 0.995 -7.299 1.00 0.00 C ATOM 171 C ASN A 13 -3.941 -0.373 -6.897 1.00 0.00 C ATOM 172 O ASN A 13 -4.367 -1.391 -7.442 1.00 0.00 O ATOM 173 CB ASN A 13 -3.415 1.774 -8.065 1.00 0.00 C ATOM 174 CG ASN A 13 -2.624 0.893 -9.018 1.00 0.00 C ATOM 175 OD1 ASN A 13 -1.566 0.369 -8.665 1.00 0.00 O ATOM 176 ND2 ASN A 13 -3.123 0.720 -10.226 1.00 0.00 N ATOM 0 H ASN A 13 -4.424 2.616 -5.967 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.345 0.840 -7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.890 2.578 -8.628 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.732 2.241 -7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.630 0.137 -10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.002 1.169 -10.484 1.00 0.00 H new ATOM 183 N LEU A 14 -3.023 -0.418 -5.930 1.00 0.00 N ATOM 184 CA LEU A 14 -2.486 -1.715 -5.515 1.00 0.00 C ATOM 185 C LEU A 14 -3.460 -2.409 -4.571 1.00 0.00 C ATOM 186 O LEU A 14 -3.442 -3.633 -4.420 1.00 0.00 O ATOM 187 CB LEU A 14 -1.048 -1.675 -4.925 1.00 0.00 C ATOM 188 CG LEU A 14 -0.723 -0.686 -3.794 1.00 0.00 C ATOM 189 CD1 LEU A 14 -0.770 0.737 -4.300 1.00 0.00 C ATOM 190 CD2 LEU A 14 -1.644 -0.877 -2.605 1.00 0.00 C ATOM 0 H LEU A 14 -2.648 0.392 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.382 -2.298 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.816 -2.676 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.363 -1.468 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 14 0.291 -0.892 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.537 1.421 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.040 0.863 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.767 0.954 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.385 -0.161 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.677 -0.718 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.534 -1.890 -2.218 1.00 0.00 H new ATOM 202 N MET A 15 -4.298 -1.604 -3.929 1.00 0.00 N ATOM 203 CA MET A 15 -5.337 -2.095 -3.032 1.00 0.00 C ATOM 204 C MET A 15 -6.281 -3.052 -3.747 1.00 0.00 C ATOM 205 O MET A 15 -6.736 -4.040 -3.172 1.00 0.00 O ATOM 206 CB MET A 15 -6.129 -0.914 -2.485 1.00 0.00 C ATOM 207 CG MET A 15 -5.748 -0.507 -1.076 1.00 0.00 C ATOM 208 SD MET A 15 -6.180 -1.756 0.152 1.00 0.00 S ATOM 209 CE MET A 15 -7.958 -1.849 -0.063 1.00 0.00 C ATOM 0 H MET A 15 -4.276 -0.588 -4.016 1.00 0.00 H new ATOM 0 HA MET A 15 -4.858 -2.638 -2.217 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.990 -0.060 -3.148 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.190 -1.163 -2.505 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.675 -0.319 -1.034 1.00 0.00 H new ATOM 0 HG3 MET A 15 -6.246 0.430 -0.826 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.435 -1.995 0.906 1.00 0.00 H new ATOM 0 HE2 MET A 15 -8.319 -0.923 -0.509 1.00 0.00 H new ATOM 0 HE3 MET A 15 -8.202 -2.686 -0.717 1.00 0.00 H new ATOM 219 N SER A 16 -6.548 -2.770 -5.015 1.00 0.00 N ATOM 220 CA SER A 16 -7.475 -3.568 -5.803 1.00 0.00 C ATOM 221 C SER A 16 -6.846 -4.914 -6.178 1.00 0.00 C ATOM 222 O SER A 16 -7.455 -5.730 -6.869 1.00 0.00 O ATOM 223 CB SER A 16 -7.882 -2.790 -7.060 1.00 0.00 C ATOM 224 OG SER A 16 -9.002 -3.381 -7.698 1.00 0.00 O ATOM 0 H SER A 16 -6.132 -1.989 -5.522 1.00 0.00 H new ATOM 0 HA SER A 16 -8.365 -3.770 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.117 -1.760 -6.791 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.043 -2.755 -7.755 1.00 0.00 H new ATOM 0 HG SER A 16 -8.887 -4.354 -7.725 1.00 0.00 H new ATOM 230 N GLN A 17 -5.618 -5.144 -5.724 1.00 0.00 N ATOM 231 CA GLN A 17 -4.951 -6.407 -5.962 1.00 0.00 C ATOM 232 C GLN A 17 -5.166 -7.351 -4.786 1.00 0.00 C ATOM 233 O GLN A 17 -4.993 -8.564 -4.913 1.00 0.00 O ATOM 234 CB GLN A 17 -3.461 -6.179 -6.203 1.00 0.00 C ATOM 235 CG GLN A 17 -3.180 -5.375 -7.463 1.00 0.00 C ATOM 236 CD GLN A 17 -1.737 -4.919 -7.562 1.00 0.00 C ATOM 237 OE1 GLN A 17 -1.123 -4.669 -6.420 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 -1.184 -4.780 -8.653 1.00 0.00 N flip ATOM 0 H GLN A 17 -5.070 -4.469 -5.190 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.379 -6.867 -6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.035 -5.660 -5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.958 -7.143 -6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.425 -5.980 -8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.834 -4.503 -7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.694 -4.984 -9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.216 -4.461 -8.697 1.00 0.00 H new ATOM 247 N GLY A 18 -5.558 -6.792 -3.647 1.00 0.00 N ATOM 248 CA GLY A 18 -5.798 -7.606 -2.471 1.00 0.00 C ATOM 249 C GLY A 18 -4.810 -7.326 -1.359 1.00 0.00 C ATOM 250 O GLY A 18 -4.875 -7.949 -0.296 1.00 0.00 O ATOM 0 H GLY A 18 -5.714 -5.792 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.810 -7.424 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.742 -8.660 -2.745 1.00 0.00 H new ATOM 254 N TYR A 19 -3.890 -6.395 -1.603 1.00 0.00 N ATOM 255 CA TYR A 19 -2.836 -6.087 -0.638 1.00 0.00 C ATOM 256 C TYR A 19 -3.396 -5.524 0.669 1.00 0.00 C ATOM 257 O TYR A 19 -4.560 -5.131 0.748 1.00 0.00 O ATOM 258 CB TYR A 19 -1.825 -5.115 -1.240 1.00 0.00 C ATOM 259 CG TYR A 19 -0.750 -5.798 -2.053 1.00 0.00 C ATOM 260 CD1 TYR A 19 0.063 -6.766 -1.479 1.00 0.00 C ATOM 261 CD2 TYR A 19 -0.544 -5.481 -3.387 1.00 0.00 C ATOM 262 CE1 TYR A 19 1.047 -7.398 -2.210 1.00 0.00 C ATOM 263 CE2 TYR A 19 0.440 -6.112 -4.125 1.00 0.00 C ATOM 264 CZ TYR A 19 1.232 -7.066 -3.529 1.00 0.00 C ATOM 265 OH TYR A 19 2.209 -7.698 -4.259 1.00 0.00 O ATOM 0 H TYR A 19 -3.853 -5.842 -2.459 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.334 -7.025 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.351 -4.401 -1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.357 -4.545 -0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.078 -7.029 -0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.162 -4.730 -3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.669 -8.150 -1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.586 -5.857 -5.164 1.00 0.00 H new ATOM 0 HH TYR A 19 2.210 -7.350 -5.175 1.00 0.00 H new ATOM 275 N SER A 20 -2.545 -5.471 1.685 1.00 0.00 N ATOM 276 CA SER A 20 -2.982 -5.117 3.028 1.00 0.00 C ATOM 277 C SER A 20 -2.630 -3.680 3.363 1.00 0.00 C ATOM 278 O SER A 20 -1.484 -3.254 3.226 1.00 0.00 O ATOM 279 CB SER A 20 -2.372 -6.053 4.065 1.00 0.00 C ATOM 280 OG SER A 20 -2.722 -7.405 3.810 1.00 0.00 O ATOM 0 H SER A 20 -1.548 -5.669 1.604 1.00 0.00 H new ATOM 0 HA SER A 20 -4.067 -5.222 3.053 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.287 -5.949 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.713 -5.768 5.060 1.00 0.00 H new ATOM 0 HG SER A 20 -2.315 -7.982 4.490 1.00 0.00 H new ATOM 286 N TYR A 21 -3.632 -2.964 3.854 1.00 0.00 N ATOM 287 CA TYR A 21 -3.549 -1.522 4.074 1.00 0.00 C ATOM 288 C TYR A 21 -2.485 -1.145 5.105 1.00 0.00 C ATOM 289 O TYR A 21 -1.902 -0.065 5.021 1.00 0.00 O ATOM 290 CB TYR A 21 -4.915 -0.982 4.519 1.00 0.00 C ATOM 291 CG TYR A 21 -5.491 -1.696 5.725 1.00 0.00 C ATOM 292 CD1 TYR A 21 -5.170 -1.291 7.016 1.00 0.00 C ATOM 293 CD2 TYR A 21 -6.347 -2.780 5.573 1.00 0.00 C ATOM 294 CE1 TYR A 21 -5.682 -1.946 8.117 1.00 0.00 C ATOM 295 CE2 TYR A 21 -6.865 -3.438 6.670 1.00 0.00 C ATOM 296 CZ TYR A 21 -6.527 -3.018 7.940 1.00 0.00 C ATOM 297 OH TYR A 21 -7.037 -3.674 9.038 1.00 0.00 O ATOM 0 H TYR A 21 -4.532 -3.367 4.113 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.257 -1.070 3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.819 0.079 4.748 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.617 -1.066 3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.509 -0.449 7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.611 -3.113 4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.421 -1.619 9.113 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.531 -4.277 6.535 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.617 -4.406 8.741 1.00 0.00 H new ATOM 307 N GLN A 22 -2.236 -2.024 6.072 1.00 0.00 N ATOM 308 CA GLN A 22 -1.266 -1.730 7.123 1.00 0.00 C ATOM 309 C GLN A 22 0.132 -1.593 6.539 1.00 0.00 C ATOM 310 O GLN A 22 0.837 -0.617 6.795 1.00 0.00 O ATOM 311 CB GLN A 22 -1.289 -2.805 8.216 1.00 0.00 C ATOM 312 CG GLN A 22 -1.057 -4.224 7.719 1.00 0.00 C ATOM 313 CD GLN A 22 0.099 -4.902 8.439 1.00 0.00 C ATOM 314 OE1 GLN A 22 1.042 -4.242 8.879 1.00 0.00 O ATOM 315 NE2 GLN A 22 0.039 -6.217 8.558 1.00 0.00 N ATOM 0 H GLN A 22 -2.687 -2.936 6.150 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.546 -0.781 7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.527 -2.566 8.958 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.252 -2.766 8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.965 -4.810 7.861 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.854 -4.204 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.759 -6.727 8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.791 -6.721 9.028 1.00 0.00 H new ATOM 324 N ASP A 23 0.515 -2.568 5.739 1.00 0.00 N ATOM 325 CA ASP A 23 1.803 -2.549 5.074 1.00 0.00 C ATOM 326 C ASP A 23 1.812 -1.529 3.944 1.00 0.00 C ATOM 327 O ASP A 23 2.847 -0.951 3.629 1.00 0.00 O ATOM 328 CB ASP A 23 2.151 -3.923 4.522 1.00 0.00 C ATOM 329 CG ASP A 23 2.483 -4.939 5.594 1.00 0.00 C ATOM 330 OD1 ASP A 23 3.588 -4.863 6.173 1.00 0.00 O ATOM 331 OD2 ASP A 23 1.648 -5.825 5.852 1.00 0.00 O ATOM 0 H ASP A 23 -0.053 -3.390 5.532 1.00 0.00 H new ATOM 0 HA ASP A 23 2.552 -2.267 5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.312 -4.291 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.001 -3.829 3.846 1.00 0.00 H new ATOM 336 N ILE A 24 0.654 -1.322 3.329 1.00 0.00 N ATOM 337 CA ILE A 24 0.490 -0.282 2.319 1.00 0.00 C ATOM 338 C ILE A 24 0.875 1.079 2.896 1.00 0.00 C ATOM 339 O ILE A 24 1.642 1.833 2.295 1.00 0.00 O ATOM 340 CB ILE A 24 -0.973 -0.240 1.817 1.00 0.00 C ATOM 341 CG1 ILE A 24 -1.230 -1.382 0.836 1.00 0.00 C ATOM 342 CG2 ILE A 24 -1.309 1.102 1.181 1.00 0.00 C ATOM 343 CD1 ILE A 24 -2.693 -1.596 0.524 1.00 0.00 C ATOM 0 H ILE A 24 -0.190 -1.864 3.513 1.00 0.00 H new ATOM 0 HA ILE A 24 1.145 -0.513 1.479 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.626 -0.365 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.695 -1.179 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.817 -2.303 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.344 1.094 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.175 1.896 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.649 1.277 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.798 -2.423 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.230 -1.830 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.107 -0.690 0.083 1.00 0.00 H new ATOM 355 N GLN A 25 0.348 1.372 4.080 1.00 0.00 N ATOM 356 CA GLN A 25 0.652 2.617 4.773 1.00 0.00 C ATOM 357 C GLN A 25 2.136 2.644 5.132 1.00 0.00 C ATOM 358 O GLN A 25 2.796 3.677 5.032 1.00 0.00 O ATOM 359 CB GLN A 25 -0.225 2.734 6.025 1.00 0.00 C ATOM 360 CG GLN A 25 -0.573 4.164 6.421 1.00 0.00 C ATOM 361 CD GLN A 25 0.478 4.835 7.283 1.00 0.00 C ATOM 362 OE1 GLN A 25 0.464 4.713 8.508 1.00 0.00 O ATOM 363 NE2 GLN A 25 1.380 5.569 6.656 1.00 0.00 N ATOM 0 H GLN A 25 -0.295 0.760 4.582 1.00 0.00 H new ATOM 0 HA GLN A 25 0.438 3.469 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.150 2.181 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.288 2.254 6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.720 4.756 5.517 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.522 4.161 6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.358 5.645 5.639 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.098 6.060 7.189 1.00 0.00 H new ATOM 372 N LYS A 26 2.649 1.479 5.514 1.00 0.00 N ATOM 373 CA LYS A 26 4.062 1.305 5.832 1.00 0.00 C ATOM 374 C LYS A 26 4.925 1.633 4.613 1.00 0.00 C ATOM 375 O LYS A 26 5.958 2.294 4.719 1.00 0.00 O ATOM 376 CB LYS A 26 4.300 -0.142 6.257 1.00 0.00 C ATOM 377 CG LYS A 26 5.076 -0.305 7.546 1.00 0.00 C ATOM 378 CD LYS A 26 5.118 -1.765 7.962 1.00 0.00 C ATOM 379 CE LYS A 26 3.728 -2.303 8.266 1.00 0.00 C ATOM 380 NZ LYS A 26 3.740 -3.755 8.587 1.00 0.00 N ATOM 0 H LYS A 26 2.096 0.628 5.612 1.00 0.00 H new ATOM 0 HA LYS A 26 4.335 1.980 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.335 -0.638 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.835 -0.657 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.091 0.071 7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.613 0.290 8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.572 -2.357 7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.751 -1.875 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.303 -1.752 9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.078 -2.129 7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.793 -4.049 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.007 -4.296 7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.428 -3.937 9.345 1.00 0.00 H new ATOM 394 N ALA A 27 4.481 1.160 3.459 1.00 0.00 N ATOM 395 CA ALA A 27 5.161 1.421 2.202 1.00 0.00 C ATOM 396 C ALA A 27 5.193 2.907 1.899 1.00 0.00 C ATOM 397 O ALA A 27 6.176 3.417 1.373 1.00 0.00 O ATOM 398 CB ALA A 27 4.476 0.672 1.075 1.00 0.00 C ATOM 0 H ALA A 27 3.642 0.587 3.368 1.00 0.00 H new ATOM 0 HA ALA A 27 6.189 1.071 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.993 0.874 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.502 -0.398 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.440 1.001 0.996 1.00 0.00 H new ATOM 404 N LEU A 28 4.126 3.602 2.250 1.00 0.00 N ATOM 405 CA LEU A 28 4.028 5.027 2.000 1.00 0.00 C ATOM 406 C LEU A 28 5.050 5.814 2.809 1.00 0.00 C ATOM 407 O LEU A 28 5.634 6.767 2.302 1.00 0.00 O ATOM 408 CB LEU A 28 2.627 5.515 2.330 1.00 0.00 C ATOM 409 CG LEU A 28 1.534 4.979 1.412 1.00 0.00 C ATOM 410 CD1 LEU A 28 0.181 5.138 2.073 1.00 0.00 C ATOM 411 CD2 LEU A 28 1.571 5.694 0.069 1.00 0.00 C ATOM 0 H LEU A 28 3.311 3.199 2.712 1.00 0.00 H new ATOM 0 HA LEU A 28 4.238 5.193 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.391 5.234 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.617 6.604 2.288 1.00 0.00 H new ATOM 0 HG LEU A 28 1.708 3.918 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.595 4.753 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.167 4.583 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.004 6.193 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.785 5.300 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.414 6.762 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.541 5.533 -0.402 1.00 0.00 H new ATOM 423 N VAL A 29 5.277 5.416 4.058 1.00 0.00 N ATOM 424 CA VAL A 29 6.179 6.164 4.932 1.00 0.00 C ATOM 425 C VAL A 29 7.622 6.079 4.440 1.00 0.00 C ATOM 426 O VAL A 29 8.404 7.012 4.625 1.00 0.00 O ATOM 427 CB VAL A 29 6.094 5.706 6.409 1.00 0.00 C ATOM 428 CG1 VAL A 29 4.648 5.603 6.862 1.00 0.00 C ATOM 429 CG2 VAL A 29 6.816 4.388 6.636 1.00 0.00 C ATOM 0 H VAL A 29 4.856 4.591 4.484 1.00 0.00 H new ATOM 0 HA VAL A 29 5.850 7.202 4.892 1.00 0.00 H new ATOM 0 HB VAL A 29 6.595 6.465 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.615 5.280 7.902 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.167 6.577 6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.123 4.878 6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.732 4.103 7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.367 3.615 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.868 4.500 6.374 1.00 0.00 H new ATOM 439 N ILE A 30 7.974 4.968 3.801 1.00 0.00 N ATOM 440 CA ILE A 30 9.300 4.815 3.236 1.00 0.00 C ATOM 441 C ILE A 30 9.328 5.420 1.838 1.00 0.00 C ATOM 442 O ILE A 30 10.361 5.900 1.369 1.00 0.00 O ATOM 443 CB ILE A 30 9.752 3.317 3.240 1.00 0.00 C ATOM 444 CG1 ILE A 30 10.920 3.052 2.273 1.00 0.00 C ATOM 445 CG2 ILE A 30 8.584 2.382 2.945 1.00 0.00 C ATOM 446 CD1 ILE A 30 10.496 2.787 0.846 1.00 0.00 C ATOM 0 H ILE A 30 7.359 4.166 3.664 1.00 0.00 H new ATOM 0 HA ILE A 30 10.018 5.352 3.856 1.00 0.00 H new ATOM 0 HB ILE A 30 10.114 3.107 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.591 3.911 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.490 2.197 2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.933 1.349 2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.813 2.512 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.170 2.615 1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.378 2.610 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.851 1.909 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.953 3.650 0.462 1.00 0.00 H new ATOM 458 N ALA A 31 8.169 5.433 1.195 1.00 0.00 N ATOM 459 CA ALA A 31 8.057 5.907 -0.174 1.00 0.00 C ATOM 460 C ALA A 31 7.696 7.379 -0.249 1.00 0.00 C ATOM 461 O ALA A 31 7.378 7.867 -1.325 1.00 0.00 O ATOM 462 CB ALA A 31 7.008 5.104 -0.928 1.00 0.00 C ATOM 0 H ALA A 31 7.289 5.118 1.604 1.00 0.00 H new ATOM 0 HA ALA A 31 9.037 5.773 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.936 5.471 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.293 4.052 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.042 5.213 -0.434 1.00 0.00 H new ATOM 468 N GLN A 32 7.749 8.074 0.889 1.00 0.00 N ATOM 469 CA GLN A 32 7.317 9.478 0.999 1.00 0.00 C ATOM 470 C GLN A 32 5.965 9.696 0.307 1.00 0.00 C ATOM 471 O GLN A 32 5.723 10.726 -0.324 1.00 0.00 O ATOM 472 CB GLN A 32 8.385 10.465 0.479 1.00 0.00 C ATOM 473 CG GLN A 32 8.645 10.453 -1.027 1.00 0.00 C ATOM 474 CD GLN A 32 10.008 9.882 -1.393 1.00 0.00 C ATOM 475 OE1 GLN A 32 10.057 8.598 -1.710 1.00 0.00 O flip ATOM 476 NE2 GLN A 32 11.006 10.601 -1.421 1.00 0.00 N flip ATOM 0 H GLN A 32 8.093 7.682 1.766 1.00 0.00 H new ATOM 0 HA GLN A 32 7.189 9.690 2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.087 11.473 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.324 10.252 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.868 9.868 -1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.569 11.470 -1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.931 11.587 -1.170 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.908 10.211 -1.695 1.00 0.00 H new ATOM 485 N ASN A 33 5.087 8.706 0.472 1.00 0.00 N ATOM 486 CA ASN A 33 3.762 8.685 -0.151 1.00 0.00 C ATOM 487 C ASN A 33 3.848 8.670 -1.676 1.00 0.00 C ATOM 488 O ASN A 33 3.172 9.445 -2.356 1.00 0.00 O ATOM 489 CB ASN A 33 2.894 9.857 0.324 1.00 0.00 C ATOM 490 CG ASN A 33 2.411 9.689 1.751 1.00 0.00 C ATOM 491 OD1 ASN A 33 3.055 10.140 2.699 1.00 0.00 O ATOM 492 ND2 ASN A 33 1.267 9.042 1.913 1.00 0.00 N ATOM 0 H ASN A 33 5.278 7.886 1.049 1.00 0.00 H new ATOM 0 HA ASN A 33 3.285 7.758 0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.465 10.782 0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.033 9.957 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.889 8.902 2.850 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.764 8.684 1.101 1.00 0.00 H new ATOM 499 N ASN A 34 4.682 7.785 -2.207 1.00 0.00 N ATOM 500 CA ASN A 34 4.747 7.565 -3.649 1.00 0.00 C ATOM 501 C ASN A 34 3.853 6.417 -4.053 1.00 0.00 C ATOM 502 O ASN A 34 3.633 5.489 -3.279 1.00 0.00 O ATOM 503 CB ASN A 34 6.162 7.264 -4.128 1.00 0.00 C ATOM 504 CG ASN A 34 6.998 8.516 -4.275 1.00 0.00 C ATOM 505 OD1 ASN A 34 6.478 9.613 -4.473 1.00 0.00 O ATOM 506 ND2 ASN A 34 8.300 8.349 -4.211 1.00 0.00 N ATOM 0 H ASN A 34 5.323 7.208 -1.663 1.00 0.00 H new ATOM 0 HA ASN A 34 4.412 8.492 -4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.646 6.588 -3.423 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.116 6.746 -5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.923 9.148 -4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.687 7.420 -4.045 1.00 0.00 H new ATOM 513 N ILE A 35 3.351 6.479 -5.270 1.00 0.00 N ATOM 514 CA ILE A 35 2.558 5.401 -5.825 1.00 0.00 C ATOM 515 C ILE A 35 3.428 4.184 -6.120 1.00 0.00 C ATOM 516 O ILE A 35 3.160 3.077 -5.653 1.00 0.00 O ATOM 517 CB ILE A 35 1.853 5.855 -7.120 1.00 0.00 C ATOM 518 CG1 ILE A 35 1.200 4.674 -7.833 1.00 0.00 C ATOM 519 CG2 ILE A 35 2.821 6.592 -8.039 1.00 0.00 C ATOM 520 CD1 ILE A 35 0.508 5.083 -9.100 1.00 0.00 C ATOM 0 H ILE A 35 3.480 7.272 -5.898 1.00 0.00 H new ATOM 0 HA ILE A 35 1.806 5.128 -5.085 1.00 0.00 H new ATOM 0 HB ILE A 35 1.061 6.552 -6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.959 3.926 -8.062 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.480 4.203 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.299 6.901 -8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.211 7.472 -7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.646 5.931 -8.304 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.060 4.207 -9.569 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.271 5.810 -8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.232 5.529 -9.782 1.00 0.00 H new ATOM 532 N GLU A 36 4.484 4.417 -6.877 1.00 0.00 N ATOM 533 CA GLU A 36 5.335 3.352 -7.378 1.00 0.00 C ATOM 534 C GLU A 36 6.171 2.739 -6.265 1.00 0.00 C ATOM 535 O GLU A 36 6.262 1.521 -6.148 1.00 0.00 O ATOM 536 CB GLU A 36 6.255 3.904 -8.463 1.00 0.00 C ATOM 537 CG GLU A 36 5.529 4.713 -9.522 1.00 0.00 C ATOM 538 CD GLU A 36 6.480 5.367 -10.495 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.816 4.734 -11.520 1.00 0.00 O ATOM 540 OE2 GLU A 36 6.909 6.509 -10.230 1.00 0.00 O ATOM 0 H GLU A 36 4.777 5.351 -7.163 1.00 0.00 H new ATOM 0 HA GLU A 36 4.696 2.571 -7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.016 4.530 -7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.774 3.075 -8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.845 4.063 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.923 5.479 -9.039 1.00 0.00 H new ATOM 547 N MET A 37 6.776 3.581 -5.442 1.00 0.00 N ATOM 548 CA MET A 37 7.688 3.096 -4.412 1.00 0.00 C ATOM 549 C MET A 37 6.932 2.317 -3.340 1.00 0.00 C ATOM 550 O MET A 37 7.458 1.374 -2.761 1.00 0.00 O ATOM 551 CB MET A 37 8.494 4.256 -3.804 1.00 0.00 C ATOM 552 CG MET A 37 9.588 3.802 -2.848 1.00 0.00 C ATOM 553 SD MET A 37 10.779 2.679 -3.609 1.00 0.00 S ATOM 554 CE MET A 37 11.489 3.727 -4.876 1.00 0.00 C ATOM 0 H MET A 37 6.656 4.594 -5.464 1.00 0.00 H new ATOM 0 HA MET A 37 8.397 2.411 -4.878 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.945 4.836 -4.610 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.813 4.922 -3.274 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.115 4.677 -2.468 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.130 3.309 -1.991 1.00 0.00 H new ATOM 0 HE1 MET A 37 12.399 3.267 -5.261 1.00 0.00 H new ATOM 0 HE2 MET A 37 10.773 3.851 -5.689 1.00 0.00 H new ATOM 0 HE3 MET A 37 11.727 4.702 -4.451 1.00 0.00 H new ATOM 564 N ALA A 38 5.688 2.696 -3.106 1.00 0.00 N ATOM 565 CA ALA A 38 4.847 2.002 -2.140 1.00 0.00 C ATOM 566 C ALA A 38 4.441 0.620 -2.636 1.00 0.00 C ATOM 567 O ALA A 38 4.621 -0.378 -1.938 1.00 0.00 O ATOM 568 CB ALA A 38 3.621 2.829 -1.848 1.00 0.00 C ATOM 0 H ALA A 38 5.235 3.482 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 38 5.425 1.866 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.994 2.307 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.922 3.793 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.060 2.985 -2.769 1.00 0.00 H new ATOM 574 N LYS A 39 3.904 0.562 -3.851 1.00 0.00 N ATOM 575 CA LYS A 39 3.494 -0.714 -4.435 1.00 0.00 C ATOM 576 C LYS A 39 4.691 -1.647 -4.574 1.00 0.00 C ATOM 577 O LYS A 39 4.554 -2.868 -4.498 1.00 0.00 O ATOM 578 CB LYS A 39 2.818 -0.525 -5.795 1.00 0.00 C ATOM 579 CG LYS A 39 3.696 0.138 -6.841 1.00 0.00 C ATOM 580 CD LYS A 39 3.174 -0.105 -8.250 1.00 0.00 C ATOM 581 CE LYS A 39 1.831 0.540 -8.473 1.00 0.00 C ATOM 582 NZ LYS A 39 0.966 -0.265 -9.377 1.00 0.00 N ATOM 0 H LYS A 39 3.743 1.374 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 39 2.766 -1.162 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.500 -1.498 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.918 0.074 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.743 1.210 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.713 -0.245 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.889 0.286 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.095 -1.178 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.329 0.672 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.973 1.534 -8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.021 -0.209 -9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.035 0.107 -10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.279 -1.257 -9.364 1.00 0.00 H new ATOM 596 N ASN A 40 5.870 -1.062 -4.760 1.00 0.00 N ATOM 597 CA ASN A 40 7.091 -1.847 -4.906 1.00 0.00 C ATOM 598 C ASN A 40 7.572 -2.352 -3.557 1.00 0.00 C ATOM 599 O ASN A 40 8.104 -3.455 -3.462 1.00 0.00 O ATOM 600 CB ASN A 40 8.195 -1.041 -5.593 1.00 0.00 C ATOM 601 CG ASN A 40 8.157 -1.176 -7.105 1.00 0.00 C ATOM 602 OD1 ASN A 40 8.747 -2.098 -7.668 1.00 0.00 O ATOM 603 ND2 ASN A 40 7.476 -0.260 -7.772 1.00 0.00 N ATOM 0 H ASN A 40 6.006 -0.052 -4.813 1.00 0.00 H new ATOM 0 HA ASN A 40 6.855 -2.704 -5.537 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.095 0.010 -5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.166 -1.374 -5.226 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.426 -0.302 -8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.000 0.489 -7.269 1.00 0.00 H new ATOM 610 N ILE A 41 7.375 -1.556 -2.514 1.00 0.00 N ATOM 611 CA ILE A 41 7.728 -1.979 -1.171 1.00 0.00 C ATOM 612 C ILE A 41 6.830 -3.112 -0.712 1.00 0.00 C ATOM 613 O ILE A 41 7.292 -4.024 -0.044 1.00 0.00 O ATOM 614 CB ILE A 41 7.723 -0.812 -0.162 1.00 0.00 C ATOM 615 CG1 ILE A 41 8.977 0.026 -0.381 1.00 0.00 C ATOM 616 CG2 ILE A 41 7.661 -1.310 1.279 1.00 0.00 C ATOM 617 CD1 ILE A 41 10.268 -0.753 -0.182 1.00 0.00 C ATOM 0 H ILE A 41 6.975 -0.620 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 41 8.753 -2.347 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 41 6.832 -0.207 -0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.960 0.434 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.963 0.873 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.659 -0.458 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.751 -1.892 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.529 -1.937 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.120 -0.095 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.307 -1.139 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.304 -1.584 -0.886 1.00 0.00 H new ATOM 629 N LEU A 42 5.552 -3.071 -1.066 1.00 0.00 N ATOM 630 CA LEU A 42 4.699 -4.227 -0.828 1.00 0.00 C ATOM 631 C LEU A 42 5.296 -5.431 -1.561 1.00 0.00 C ATOM 632 O LEU A 42 5.538 -6.475 -0.968 1.00 0.00 O ATOM 633 CB LEU A 42 3.240 -3.995 -1.279 1.00 0.00 C ATOM 634 CG LEU A 42 2.399 -3.001 -0.448 1.00 0.00 C ATOM 635 CD1 LEU A 42 1.157 -3.682 0.073 1.00 0.00 C ATOM 636 CD2 LEU A 42 3.187 -2.420 0.710 1.00 0.00 C ATOM 0 H LEU A 42 5.093 -2.274 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 42 4.663 -4.408 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.256 -3.645 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.728 -4.957 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 42 2.120 -2.179 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.571 -2.973 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.560 -4.042 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.441 -4.524 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.557 -1.726 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.512 -3.225 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.059 -1.890 0.327 1.00 0.00 H new ATOM 648 N ARG A 43 5.599 -5.239 -2.841 1.00 0.00 N ATOM 649 CA ARG A 43 6.213 -6.280 -3.670 1.00 0.00 C ATOM 650 C ARG A 43 7.495 -6.831 -3.021 1.00 0.00 C ATOM 651 O ARG A 43 7.854 -7.991 -3.226 1.00 0.00 O ATOM 652 CB ARG A 43 6.496 -5.708 -5.073 1.00 0.00 C ATOM 653 CG ARG A 43 7.186 -6.668 -6.036 1.00 0.00 C ATOM 654 CD ARG A 43 8.702 -6.535 -5.983 1.00 0.00 C ATOM 655 NE ARG A 43 9.158 -5.201 -6.385 1.00 0.00 N ATOM 656 CZ ARG A 43 10.404 -4.752 -6.208 1.00 0.00 C ATOM 657 NH1 ARG A 43 11.344 -5.560 -5.723 1.00 0.00 N ATOM 658 NH2 ARG A 43 10.716 -3.509 -6.549 1.00 0.00 N ATOM 0 H ARG A 43 5.428 -4.363 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 43 5.521 -7.117 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.552 -5.390 -5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.115 -4.817 -4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.903 -7.692 -5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.840 -6.474 -7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.048 -6.745 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.153 -7.283 -6.635 1.00 0.00 H new ATOM 0 HE ARG A 43 8.483 -4.577 -6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.114 -6.525 -5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.294 -5.214 -5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.005 -2.895 -6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.667 -3.167 -6.414 1.00 0.00 H new ATOM 672 N GLU A 44 8.174 -6.001 -2.240 1.00 0.00 N ATOM 673 CA GLU A 44 9.399 -6.407 -1.554 1.00 0.00 C ATOM 674 C GLU A 44 9.106 -7.004 -0.180 1.00 0.00 C ATOM 675 O GLU A 44 9.704 -8.004 0.224 1.00 0.00 O ATOM 676 CB GLU A 44 10.334 -5.203 -1.412 1.00 0.00 C ATOM 677 CG GLU A 44 10.905 -4.735 -2.734 1.00 0.00 C ATOM 678 CD GLU A 44 12.116 -3.850 -2.570 1.00 0.00 C ATOM 679 OE1 GLU A 44 13.177 -4.367 -2.166 1.00 0.00 O ATOM 680 OE2 GLU A 44 12.023 -2.644 -2.861 1.00 0.00 O ATOM 0 H GLU A 44 7.897 -5.035 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 44 9.880 -7.179 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.790 -4.381 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.153 -5.464 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.175 -5.603 -3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.136 -4.192 -3.284 1.00 0.00 H new ATOM 687 N PHE A 45 8.178 -6.385 0.524 1.00 0.00 N ATOM 688 CA PHE A 45 7.843 -6.755 1.888 1.00 0.00 C ATOM 689 C PHE A 45 6.654 -7.706 1.941 1.00 0.00 C ATOM 690 O PHE A 45 6.810 -8.905 2.158 1.00 0.00 O ATOM 691 CB PHE A 45 7.518 -5.490 2.690 1.00 0.00 C ATOM 692 CG PHE A 45 8.687 -4.916 3.434 1.00 0.00 C ATOM 693 CD1 PHE A 45 9.538 -4.005 2.828 1.00 0.00 C ATOM 694 CD2 PHE A 45 8.928 -5.281 4.748 1.00 0.00 C ATOM 695 CE1 PHE A 45 10.606 -3.468 3.521 1.00 0.00 C ATOM 696 CE2 PHE A 45 9.993 -4.747 5.447 1.00 0.00 C ATOM 697 CZ PHE A 45 10.834 -3.840 4.832 1.00 0.00 C ATOM 0 H PHE A 45 7.630 -5.604 0.163 1.00 0.00 H new ATOM 0 HA PHE A 45 8.703 -7.269 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.127 -4.733 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.725 -5.719 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.364 -3.712 1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.275 -5.992 5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.262 -2.758 3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.168 -5.038 6.472 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.669 -3.422 5.375 1.00 0.00 H new ATOM 707 N VAL A 46 5.476 -7.161 1.714 1.00 0.00 N ATOM 708 CA VAL A 46 4.227 -7.866 1.933 1.00 0.00 C ATOM 709 C VAL A 46 3.600 -8.376 0.634 1.00 0.00 C ATOM 710 O VAL A 46 3.360 -7.621 -0.303 1.00 0.00 O ATOM 711 CB VAL A 46 3.245 -6.929 2.648 1.00 0.00 C ATOM 712 CG1 VAL A 46 3.421 -5.523 2.121 1.00 0.00 C ATOM 713 CG2 VAL A 46 1.808 -7.381 2.461 1.00 0.00 C ATOM 0 H VAL A 46 5.356 -6.208 1.369 1.00 0.00 H new ATOM 0 HA VAL A 46 4.444 -8.741 2.545 1.00 0.00 H new ATOM 0 HB VAL A 46 3.462 -6.953 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.724 -4.855 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.442 -5.190 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.223 -5.509 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.140 -6.694 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.565 -7.390 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.686 -8.384 2.869 1.00 0.00 H new ATOM 723 N SER A 47 3.303 -9.656 0.607 1.00 0.00 N ATOM 724 CA SER A 47 2.653 -10.261 -0.537 1.00 0.00 C ATOM 725 C SER A 47 1.195 -10.512 -0.204 1.00 0.00 C ATOM 726 O SER A 47 0.790 -10.379 0.952 1.00 0.00 O ATOM 727 CB SER A 47 3.338 -11.569 -0.912 1.00 0.00 C ATOM 728 OG SER A 47 3.377 -12.469 0.189 1.00 0.00 O ATOM 0 H SER A 47 3.503 -10.303 1.370 1.00 0.00 H new ATOM 0 HA SER A 47 2.723 -9.584 -1.389 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.809 -12.033 -1.744 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.353 -11.365 -1.253 1.00 0.00 H new ATOM 0 HG SER A 47 3.821 -13.299 -0.083 1.00 0.00 H new ATOM 734 N ILE A 48 0.403 -10.871 -1.199 1.00 0.00 N ATOM 735 CA ILE A 48 -1.002 -11.128 -0.960 1.00 0.00 C ATOM 736 C ILE A 48 -1.195 -12.563 -0.528 1.00 0.00 C ATOM 737 O ILE A 48 -1.493 -13.445 -1.332 1.00 0.00 O ATOM 738 CB ILE A 48 -1.872 -10.856 -2.183 1.00 0.00 C ATOM 739 CG1 ILE A 48 -1.096 -10.049 -3.226 1.00 0.00 C ATOM 740 CG2 ILE A 48 -3.129 -10.123 -1.754 1.00 0.00 C ATOM 741 CD1 ILE A 48 -1.933 -9.596 -4.401 1.00 0.00 C ATOM 0 H ILE A 48 0.705 -10.989 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.316 -10.442 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.155 -11.803 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.662 -9.173 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.267 -10.653 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.752 -9.928 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.683 -10.736 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.857 -9.178 -1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.311 -9.031 -5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.346 -10.467 -4.911 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.747 -8.964 -4.046 1.00 0.00 H new ATOM 753 N SER A 49 -1.014 -12.778 0.750 1.00 0.00 N ATOM 754 CA SER A 49 -1.097 -14.100 1.336 1.00 0.00 C ATOM 755 C SER A 49 -2.365 -14.201 2.173 1.00 0.00 C ATOM 756 O SER A 49 -2.396 -14.846 3.223 1.00 0.00 O ATOM 757 CB SER A 49 0.150 -14.386 2.191 1.00 0.00 C ATOM 758 OG SER A 49 0.197 -15.742 2.617 1.00 0.00 O ATOM 0 H SER A 49 -0.803 -12.039 1.421 1.00 0.00 H new ATOM 0 HA SER A 49 -1.137 -14.847 0.543 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.046 -14.154 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.152 -13.731 3.062 1.00 0.00 H new ATOM 0 HG SER A 49 -0.669 -15.994 3.001 1.00 0.00 H new ATOM 764 N SER A 50 -3.406 -13.526 1.719 1.00 0.00 N ATOM 765 CA SER A 50 -4.702 -13.604 2.358 1.00 0.00 C ATOM 766 C SER A 50 -5.433 -14.849 1.868 1.00 0.00 C ATOM 767 O SER A 50 -5.307 -15.221 0.700 1.00 0.00 O ATOM 768 CB SER A 50 -5.495 -12.337 2.050 1.00 0.00 C ATOM 769 OG SER A 50 -5.376 -11.985 0.682 1.00 0.00 O ATOM 0 H SER A 50 -3.375 -12.914 0.904 1.00 0.00 H new ATOM 0 HA SER A 50 -4.586 -13.680 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.545 -12.491 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.136 -11.518 2.673 1.00 0.00 H new ATOM 0 HG SER A 50 -5.894 -11.171 0.507 1.00 0.00 H new ATOM 775 N PRO A 51 -6.177 -15.526 2.758 1.00 0.00 N ATOM 776 CA PRO A 51 -6.891 -16.767 2.428 1.00 0.00 C ATOM 777 C PRO A 51 -8.093 -16.534 1.515 1.00 0.00 C ATOM 778 O PRO A 51 -9.227 -16.858 1.866 1.00 0.00 O ATOM 779 CB PRO A 51 -7.354 -17.302 3.794 1.00 0.00 C ATOM 780 CG PRO A 51 -6.642 -16.477 4.814 1.00 0.00 C ATOM 781 CD PRO A 51 -6.378 -15.154 4.162 1.00 0.00 C ATOM 0 HA PRO A 51 -6.250 -17.458 1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.435 -17.213 3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.109 -18.358 3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.249 -16.356 5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.711 -16.954 5.121 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.216 -14.467 4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.500 -14.663 4.581 1.00 0.00 H new ATOM 789 N ALA A 52 -7.842 -15.974 0.342 1.00 0.00 N ATOM 790 CA ALA A 52 -8.894 -15.729 -0.631 1.00 0.00 C ATOM 791 C ALA A 52 -9.157 -16.985 -1.450 1.00 0.00 C ATOM 792 O ALA A 52 -10.213 -17.114 -2.069 1.00 0.00 O ATOM 793 CB ALA A 52 -8.517 -14.568 -1.537 1.00 0.00 C ATOM 0 H ALA A 52 -6.913 -15.679 0.040 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.808 -15.466 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.315 -14.397 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.373 -13.670 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.593 -14.804 -2.065 1.00 0.00 H new ATOM 799 N HIS A 53 -8.187 -17.907 -1.415 1.00 0.00 N ATOM 800 CA HIS A 53 -8.248 -19.197 -2.117 1.00 0.00 C ATOM 801 C HIS A 53 -8.959 -19.093 -3.469 1.00 0.00 C ATOM 802 O HIS A 53 -10.108 -19.514 -3.630 1.00 0.00 O ATOM 803 CB HIS A 53 -8.863 -20.305 -1.228 1.00 0.00 C ATOM 804 CG HIS A 53 -10.269 -20.062 -0.750 1.00 0.00 C ATOM 805 ND1 HIS A 53 -11.371 -20.670 -1.311 1.00 0.00 N ATOM 806 CD2 HIS A 53 -10.741 -19.294 0.259 1.00 0.00 C ATOM 807 CE1 HIS A 53 -12.460 -20.285 -0.671 1.00 0.00 C ATOM 808 NE2 HIS A 53 -12.103 -19.451 0.288 1.00 0.00 N ATOM 0 H HIS A 53 -7.323 -17.776 -0.889 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.218 -19.485 -2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.847 -21.242 -1.785 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.223 -20.441 -0.357 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.154 -18.673 0.919 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.469 -20.599 -0.894 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.738 -18.997 0.945 1.00 0.00 H new ATOM 817 N VAL A 54 -8.264 -18.519 -4.437 1.00 0.00 N ATOM 818 CA VAL A 54 -8.820 -18.335 -5.766 1.00 0.00 C ATOM 819 C VAL A 54 -8.678 -19.604 -6.601 1.00 0.00 C ATOM 820 O VAL A 54 -7.595 -20.181 -6.707 1.00 0.00 O ATOM 821 CB VAL A 54 -8.172 -17.134 -6.499 1.00 0.00 C ATOM 822 CG1 VAL A 54 -8.546 -15.827 -5.811 1.00 0.00 C ATOM 823 CG2 VAL A 54 -6.656 -17.278 -6.561 1.00 0.00 C ATOM 0 H VAL A 54 -7.311 -18.172 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.881 -18.118 -5.641 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.554 -17.120 -7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.083 -14.993 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.629 -15.707 -5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.194 -15.845 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.230 -16.420 -7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.253 -17.326 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.399 -18.192 -7.097 1.00 0.00 H new ATOM 833 N ALA A 55 -9.783 -20.042 -7.175 1.00 0.00 N ATOM 834 CA ALA A 55 -9.800 -21.263 -7.963 1.00 0.00 C ATOM 835 C ALA A 55 -10.048 -20.955 -9.434 1.00 0.00 C ATOM 836 O ALA A 55 -11.106 -20.446 -9.802 1.00 0.00 O ATOM 837 CB ALA A 55 -10.856 -22.224 -7.431 1.00 0.00 C ATOM 0 H ALA A 55 -10.684 -19.569 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.823 -21.739 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.856 -23.133 -8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.631 -22.474 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.837 -21.753 -7.486 1.00 0.00 H new ATOM 843 N THR A 56 -9.063 -21.257 -10.266 1.00 0.00 N ATOM 844 CA THR A 56 -9.172 -21.042 -11.697 1.00 0.00 C ATOM 845 C THR A 56 -8.184 -21.951 -12.434 1.00 0.00 C ATOM 846 O THR A 56 -6.965 -21.693 -12.384 1.00 0.00 O ATOM 847 CB THR A 56 -8.959 -19.545 -12.067 1.00 0.00 C ATOM 848 OG1 THR A 56 -8.961 -19.365 -13.490 1.00 0.00 O ATOM 849 CG2 THR A 56 -7.667 -18.998 -11.479 1.00 0.00 C ATOM 850 OXT THR A 56 -8.632 -22.954 -13.028 1.00 0.00 O ATOM 0 H THR A 56 -8.172 -21.655 -9.969 1.00 0.00 H new ATOM 0 HA THR A 56 -10.183 -21.301 -12.012 1.00 0.00 H new ATOM 0 HB THR A 56 -9.791 -18.987 -11.637 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.827 -18.417 -13.700 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.554 -17.951 -11.760 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.698 -19.081 -10.393 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.822 -19.569 -11.863 1.00 0.00 H new TER 858 THR A 56