USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 541 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 GLN :FLIP amide:sc= 0.0202 F(o=-0.43,f=0.28) USER MOD Set 1.2: A 26 HIS : no HE2:sc= -0.156 K(o=0.28,f=-3) USER MOD Set 1.3: A 58 ASN :FLIP amide:sc= 0.397 F(o=-2.3!,f=0.28) USER MOD Set 1.4: A 60 THR OG1 : rot -36:sc= 0.0184 USER MOD Set 2.1: A 21 ASN : amide:sc= -0.962 K(o=-0.88,f=-2!) USER MOD Set 2.2: A 27 SER OG : rot -140:sc= 0.0859 USER MOD Set 3.1: A 3 HIS : no HE2:sc= 0.0477 K(o=1,f=-7.1!) USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0.979 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 162:sc= -0.109 (180deg=-0.683) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 13 ASN : amide:sc= 1.2 K(o=1.2,f=-0.12) USER MOD Single : A 43 HIS : no HD1:sc= -0.0582 X(o=-0.058,f=-0.14) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 51 CYS SG : rot 68:sc= 1.13 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.243 (180deg=-0.378!) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 0.412 (180deg=0.246) USER MOD Single : A 66 SER OG : rot 170:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.414 40.462 -25.599 1.00 31.20 N ATOM 2 CA GLY A 1 -5.973 39.261 -24.936 1.00 10.23 C ATOM 3 C GLY A 1 -5.231 38.928 -23.659 1.00 51.44 C ATOM 4 O GLY A 1 -4.753 37.808 -23.485 1.00 41.30 O ATOM 0 H1 GLY A 1 -5.948 40.658 -26.470 1.00 31.20 H new ATOM 0 H2 GLY A 1 -5.486 41.278 -24.958 1.00 31.20 H new ATOM 0 H3 GLY A 1 -4.415 40.295 -25.836 1.00 31.20 H new ATOM 0 HA2 GLY A 1 -7.027 39.427 -24.712 1.00 10.23 H new ATOM 0 HA3 GLY A 1 -5.922 38.412 -25.618 1.00 10.23 H new ATOM 10 N SER A 2 -5.124 39.905 -22.769 1.00 44.31 N ATOM 11 CA SER A 2 -4.432 39.719 -21.506 1.00 51.41 C ATOM 12 C SER A 2 -5.242 38.821 -20.579 1.00 3.41 C ATOM 13 O SER A 2 -6.378 39.140 -20.228 1.00 33.54 O ATOM 14 CB SER A 2 -4.192 41.076 -20.843 1.00 75.52 C ATOM 15 OG SER A 2 -3.502 41.960 -21.715 1.00 2.30 O ATOM 0 H SER A 2 -5.511 40.839 -22.902 1.00 44.31 H new ATOM 0 HA SER A 2 -3.473 39.239 -21.700 1.00 51.41 H new ATOM 0 HB2 SER A 2 -5.146 41.517 -20.555 1.00 75.52 H new ATOM 0 HB3 SER A 2 -3.615 40.940 -19.928 1.00 75.52 H new ATOM 0 HG SER A 2 -3.364 42.820 -21.266 1.00 2.30 H new ATOM 21 N HIS A 3 -4.663 37.693 -20.199 1.00 30.40 N ATOM 22 CA HIS A 3 -5.311 36.777 -19.273 1.00 72.41 C ATOM 23 C HIS A 3 -4.273 35.894 -18.597 1.00 50.22 C ATOM 24 O HIS A 3 -3.385 35.352 -19.256 1.00 32.52 O ATOM 25 CB HIS A 3 -6.365 35.912 -19.991 1.00 44.24 C ATOM 26 CG HIS A 3 -5.806 34.903 -20.957 1.00 22.24 C ATOM 27 ND1 HIS A 3 -5.740 33.553 -20.678 1.00 21.41 N ATOM 28 CD2 HIS A 3 -5.302 35.048 -22.207 1.00 61.01 C ATOM 29 CE1 HIS A 3 -5.219 32.915 -21.708 1.00 61.52 C ATOM 30 NE2 HIS A 3 -4.946 33.797 -22.647 1.00 75.34 N ATOM 0 H HIS A 3 -3.743 37.389 -20.518 1.00 30.40 H new ATOM 0 HA HIS A 3 -5.823 37.368 -18.514 1.00 72.41 H new ATOM 0 HB2 HIS A 3 -6.955 35.386 -19.240 1.00 44.24 H new ATOM 0 HB3 HIS A 3 -7.048 36.569 -20.530 1.00 44.24 H new ATOM 0 HD1 HIS A 3 -6.047 33.116 -19.809 1.00 21.41 H new ATOM 0 HD2 HIS A 3 -5.200 35.974 -22.754 1.00 61.01 H new ATOM 0 HE1 HIS A 3 -5.046 31.851 -21.771 1.00 61.52 H new ATOM 39 N MET A 4 -4.375 35.769 -17.286 1.00 3.32 N ATOM 40 CA MET A 4 -3.489 34.893 -16.538 1.00 2.41 C ATOM 41 C MET A 4 -4.299 33.743 -15.959 1.00 55.24 C ATOM 42 O MET A 4 -4.723 33.779 -14.803 1.00 31.15 O ATOM 43 CB MET A 4 -2.768 35.666 -15.427 1.00 71.04 C ATOM 44 CG MET A 4 -1.713 34.850 -14.693 1.00 71.13 C ATOM 45 SD MET A 4 -0.395 34.277 -15.783 1.00 63.41 S ATOM 46 CE MET A 4 0.246 35.835 -16.393 1.00 35.41 C ATOM 0 H MET A 4 -5.062 36.263 -16.717 1.00 3.32 H new ATOM 0 HA MET A 4 -2.727 34.495 -17.208 1.00 2.41 H new ATOM 0 HB2 MET A 4 -2.295 36.548 -15.859 1.00 71.04 H new ATOM 0 HB3 MET A 4 -3.505 36.020 -14.707 1.00 71.04 H new ATOM 0 HG2 MET A 4 -1.282 35.455 -13.895 1.00 71.13 H new ATOM 0 HG3 MET A 4 -2.188 33.990 -14.221 1.00 71.13 H new ATOM 0 HE1 MET A 4 1.241 35.680 -16.811 1.00 35.41 H new ATOM 0 HE2 MET A 4 -0.417 36.223 -17.166 1.00 35.41 H new ATOM 0 HE3 MET A 4 0.305 36.550 -15.573 1.00 35.41 H new ATOM 56 N SER A 5 -4.545 32.744 -16.788 1.00 72.44 N ATOM 57 CA SER A 5 -5.394 31.632 -16.412 1.00 62.14 C ATOM 58 C SER A 5 -4.617 30.622 -15.573 1.00 41.42 C ATOM 59 O SER A 5 -3.792 29.866 -16.093 1.00 73.33 O ATOM 60 CB SER A 5 -5.956 30.973 -17.670 1.00 23.11 C ATOM 61 OG SER A 5 -6.436 31.954 -18.576 1.00 55.22 O ATOM 0 H SER A 5 -4.165 32.682 -17.732 1.00 72.44 H new ATOM 0 HA SER A 5 -6.221 32.002 -15.806 1.00 62.14 H new ATOM 0 HB2 SER A 5 -5.182 30.374 -18.150 1.00 23.11 H new ATOM 0 HB3 SER A 5 -6.764 30.293 -17.401 1.00 23.11 H new ATOM 0 HG SER A 5 -6.791 31.514 -19.377 1.00 55.22 H new ATOM 67 N THR A 6 -4.865 30.638 -14.275 1.00 40.04 N ATOM 68 CA THR A 6 -4.214 29.724 -13.358 1.00 24.21 C ATOM 69 C THR A 6 -5.218 28.691 -12.857 1.00 14.44 C ATOM 70 O THR A 6 -6.066 28.988 -12.016 1.00 35.34 O ATOM 71 CB THR A 6 -3.597 30.479 -12.163 1.00 73.13 C ATOM 72 OG1 THR A 6 -2.791 31.564 -12.645 1.00 12.14 O ATOM 73 CG2 THR A 6 -2.741 29.548 -11.316 1.00 54.50 C ATOM 0 H THR A 6 -5.520 31.282 -13.831 1.00 40.04 H new ATOM 0 HA THR A 6 -3.409 29.220 -13.893 1.00 24.21 H new ATOM 0 HB THR A 6 -4.406 30.865 -11.543 1.00 73.13 H new ATOM 0 HG1 THR A 6 -2.401 32.044 -11.885 1.00 12.14 H new ATOM 0 HG21 THR A 6 -2.317 30.104 -10.480 1.00 54.50 H new ATOM 0 HG22 THR A 6 -3.357 28.733 -10.935 1.00 54.50 H new ATOM 0 HG23 THR A 6 -1.935 29.139 -11.926 1.00 54.50 H new ATOM 81 N ASN A 7 -5.130 27.490 -13.398 1.00 21.12 N ATOM 82 CA ASN A 7 -6.061 26.430 -13.047 1.00 5.45 C ATOM 83 C ASN A 7 -5.321 25.264 -12.409 1.00 71.11 C ATOM 84 O ASN A 7 -4.141 25.047 -12.693 1.00 71.44 O ATOM 85 CB ASN A 7 -6.822 25.945 -14.286 1.00 2.25 C ATOM 86 CG ASN A 7 -7.745 26.998 -14.872 1.00 64.14 C ATOM 87 OD1 ASN A 7 -8.245 27.874 -14.163 1.00 33.10 O ATOM 88 ND2 ASN A 7 -7.978 26.914 -16.172 1.00 14.13 N ATOM 0 H ASN A 7 -4.423 27.223 -14.083 1.00 21.12 H new ATOM 0 HA ASN A 7 -6.777 26.832 -12.331 1.00 5.45 H new ATOM 0 HB2 ASN A 7 -6.105 25.636 -15.047 1.00 2.25 H new ATOM 0 HB3 ASN A 7 -7.407 25.064 -14.023 1.00 2.25 H new ATOM 0 HD21 ASN A 7 -8.592 27.591 -16.625 1.00 14.13 H new ATOM 0 HD22 ASN A 7 -7.543 26.173 -16.721 1.00 14.13 H new ATOM 95 N PRO A 8 -6.001 24.500 -11.539 1.00 32.14 N ATOM 96 CA PRO A 8 -5.408 23.340 -10.857 1.00 3.51 C ATOM 97 C PRO A 8 -5.241 22.126 -11.777 1.00 72.03 C ATOM 98 O PRO A 8 -5.461 20.986 -11.364 1.00 13.12 O ATOM 99 CB PRO A 8 -6.425 23.034 -9.758 1.00 60.32 C ATOM 100 CG PRO A 8 -7.725 23.499 -10.315 1.00 2.35 C ATOM 101 CD PRO A 8 -7.407 24.715 -11.136 1.00 35.24 C ATOM 0 HA PRO A 8 -4.402 23.553 -10.495 1.00 3.51 H new ATOM 0 HB2 PRO A 8 -6.451 21.969 -9.526 1.00 60.32 H new ATOM 0 HB3 PRO A 8 -6.180 23.556 -8.833 1.00 60.32 H new ATOM 0 HG2 PRO A 8 -8.188 22.724 -10.927 1.00 2.35 H new ATOM 0 HG3 PRO A 8 -8.429 23.739 -9.518 1.00 2.35 H new ATOM 0 HD2 PRO A 8 -8.064 24.798 -12.001 1.00 35.24 H new ATOM 0 HD3 PRO A 8 -7.523 25.632 -10.558 1.00 35.24 H new ATOM 109 N PHE A 9 -4.840 22.372 -13.017 1.00 64.42 N ATOM 110 CA PHE A 9 -4.608 21.300 -13.973 1.00 65.22 C ATOM 111 C PHE A 9 -3.183 21.390 -14.501 1.00 52.40 C ATOM 112 O PHE A 9 -2.244 20.897 -13.874 1.00 1.13 O ATOM 113 CB PHE A 9 -5.600 21.381 -15.141 1.00 74.45 C ATOM 114 CG PHE A 9 -7.036 21.504 -14.721 1.00 53.32 C ATOM 115 CD1 PHE A 9 -7.705 20.430 -14.163 1.00 55.12 C ATOM 116 CD2 PHE A 9 -7.714 22.700 -14.885 1.00 14.23 C ATOM 117 CE1 PHE A 9 -9.023 20.546 -13.774 1.00 3.35 C ATOM 118 CE2 PHE A 9 -9.033 22.823 -14.498 1.00 51.32 C ATOM 119 CZ PHE A 9 -9.689 21.743 -13.943 1.00 24.54 C ATOM 0 H PHE A 9 -4.668 23.308 -13.384 1.00 64.42 H new ATOM 0 HA PHE A 9 -4.754 20.346 -13.466 1.00 65.22 H new ATOM 0 HB2 PHE A 9 -5.341 22.237 -15.764 1.00 74.45 H new ATOM 0 HB3 PHE A 9 -5.489 20.491 -15.760 1.00 74.45 H new ATOM 0 HD1 PHE A 9 -7.190 19.490 -14.030 1.00 55.12 H new ATOM 0 HD2 PHE A 9 -7.205 23.547 -15.321 1.00 14.23 H new ATOM 0 HE1 PHE A 9 -9.534 19.701 -13.337 1.00 3.35 H new ATOM 0 HE2 PHE A 9 -9.550 23.762 -14.629 1.00 51.32 H new ATOM 0 HZ PHE A 9 -10.722 21.834 -13.641 1.00 24.54 H new ATOM 129 N ASP A 10 -3.034 22.062 -15.633 1.00 53.22 N ATOM 130 CA ASP A 10 -1.731 22.314 -16.233 1.00 14.33 C ATOM 131 C ASP A 10 -1.893 23.336 -17.347 1.00 73.42 C ATOM 132 O ASP A 10 -3.016 23.624 -17.767 1.00 2.11 O ATOM 133 CB ASP A 10 -1.097 21.028 -16.786 1.00 13.04 C ATOM 134 CG ASP A 10 -1.791 20.505 -18.030 1.00 73.13 C ATOM 135 OD1 ASP A 10 -2.826 19.817 -17.899 1.00 23.45 O ATOM 136 OD2 ASP A 10 -1.295 20.770 -19.151 1.00 30.21 O ATOM 0 H ASP A 10 -3.815 22.449 -16.163 1.00 53.22 H new ATOM 0 HA ASP A 10 -1.063 22.697 -15.461 1.00 14.33 H new ATOM 0 HB2 ASP A 10 -0.048 21.217 -17.016 1.00 13.04 H new ATOM 0 HB3 ASP A 10 -1.120 20.258 -16.014 1.00 13.04 H new ATOM 141 N ASP A 11 -0.787 23.888 -17.819 1.00 31.23 N ATOM 142 CA ASP A 11 -0.840 24.916 -18.850 1.00 35.51 C ATOM 143 C ASP A 11 0.420 24.865 -19.705 1.00 71.44 C ATOM 144 O ASP A 11 1.390 24.196 -19.348 1.00 54.05 O ATOM 145 CB ASP A 11 -1.005 26.304 -18.214 1.00 61.34 C ATOM 146 CG ASP A 11 -1.402 27.366 -19.221 1.00 53.53 C ATOM 147 OD1 ASP A 11 -2.615 27.567 -19.427 1.00 3.52 O ATOM 148 OD2 ASP A 11 -0.505 27.999 -19.812 1.00 42.35 O ATOM 0 H ASP A 11 0.154 23.645 -17.508 1.00 31.23 H new ATOM 0 HA ASP A 11 -1.702 24.728 -19.490 1.00 35.51 H new ATOM 0 HB2 ASP A 11 -1.760 26.252 -17.430 1.00 61.34 H new ATOM 0 HB3 ASP A 11 -0.069 26.594 -17.736 1.00 61.34 H new ATOM 153 N ASP A 12 0.398 25.559 -20.835 1.00 65.11 N ATOM 154 CA ASP A 12 1.535 25.584 -21.747 1.00 24.13 C ATOM 155 C ASP A 12 2.555 26.644 -21.338 1.00 30.20 C ATOM 156 O ASP A 12 3.655 26.699 -21.886 1.00 73.51 O ATOM 157 CB ASP A 12 1.067 25.838 -23.183 1.00 60.44 C ATOM 158 CG ASP A 12 0.330 24.655 -23.774 1.00 73.13 C ATOM 159 OD1 ASP A 12 -0.838 24.426 -23.395 1.00 30.44 O ATOM 160 OD2 ASP A 12 0.908 23.956 -24.632 1.00 41.33 O ATOM 0 H ASP A 12 -0.399 26.115 -21.144 1.00 65.11 H new ATOM 0 HA ASP A 12 2.018 24.608 -21.696 1.00 24.13 H new ATOM 0 HB2 ASP A 12 0.416 26.712 -23.200 1.00 60.44 H new ATOM 0 HB3 ASP A 12 1.930 26.072 -23.806 1.00 60.44 H new ATOM 165 N ASN A 13 2.191 27.484 -20.374 1.00 24.34 N ATOM 166 CA ASN A 13 3.103 28.508 -19.860 1.00 3.22 C ATOM 167 C ASN A 13 4.025 27.939 -18.787 1.00 11.43 C ATOM 168 O ASN A 13 4.628 28.683 -18.012 1.00 23.33 O ATOM 169 CB ASN A 13 2.327 29.698 -19.284 1.00 25.12 C ATOM 170 CG ASN A 13 1.734 30.589 -20.356 1.00 32.43 C ATOM 171 OD1 ASN A 13 2.385 31.517 -20.837 1.00 55.12 O ATOM 172 ND2 ASN A 13 0.494 30.322 -20.729 1.00 12.21 N ATOM 0 H ASN A 13 1.272 27.478 -19.931 1.00 24.34 H new ATOM 0 HA ASN A 13 3.708 28.850 -20.700 1.00 3.22 H new ATOM 0 HB2 ASN A 13 1.527 29.328 -18.643 1.00 25.12 H new ATOM 0 HB3 ASN A 13 2.992 30.289 -18.654 1.00 25.12 H new ATOM 0 HD21 ASN A 13 0.041 30.895 -21.441 1.00 12.21 H new ATOM 0 HD22 ASN A 13 -0.010 29.543 -20.305 1.00 12.21 H new ATOM 179 N GLY A 14 4.140 26.620 -18.744 1.00 51.13 N ATOM 180 CA GLY A 14 5.003 25.989 -17.772 1.00 21.14 C ATOM 181 C GLY A 14 6.444 25.967 -18.222 1.00 35.24 C ATOM 182 O GLY A 14 6.869 25.055 -18.931 1.00 24.13 O ATOM 0 H GLY A 14 3.650 25.977 -19.366 1.00 51.13 H new ATOM 0 HA2 GLY A 14 4.928 26.520 -16.823 1.00 21.14 H new ATOM 0 HA3 GLY A 14 4.663 24.969 -17.595 1.00 21.14 H new ATOM 186 N ALA A 15 7.184 26.982 -17.822 1.00 10.03 N ATOM 187 CA ALA A 15 8.600 27.075 -18.146 1.00 40.42 C ATOM 188 C ALA A 15 9.395 26.044 -17.357 1.00 10.11 C ATOM 189 O ALA A 15 8.940 25.541 -16.328 1.00 53.33 O ATOM 190 CB ALA A 15 9.127 28.482 -17.888 1.00 42.14 C ATOM 0 H ALA A 15 6.828 27.761 -17.268 1.00 10.03 H new ATOM 0 HA ALA A 15 8.722 26.863 -19.208 1.00 40.42 H new ATOM 0 HB1 ALA A 15 10.187 28.525 -18.138 1.00 42.14 H new ATOM 0 HB2 ALA A 15 8.580 29.194 -18.505 1.00 42.14 H new ATOM 0 HB3 ALA A 15 8.992 28.734 -16.836 1.00 42.14 H new ATOM 196 N PHE A 16 10.585 25.744 -17.842 1.00 2.14 N ATOM 197 CA PHE A 16 11.413 24.692 -17.273 1.00 60.34 C ATOM 198 C PHE A 16 12.772 25.255 -16.867 1.00 23.33 C ATOM 199 O PHE A 16 13.295 26.150 -17.521 1.00 2.33 O ATOM 200 CB PHE A 16 11.570 23.572 -18.311 1.00 41.43 C ATOM 201 CG PHE A 16 11.562 24.094 -19.724 1.00 42.52 C ATOM 202 CD1 PHE A 16 12.627 24.832 -20.199 1.00 52.44 C ATOM 203 CD2 PHE A 16 10.470 23.892 -20.557 1.00 61.53 C ATOM 204 CE1 PHE A 16 12.608 25.355 -21.468 1.00 24.33 C ATOM 205 CE2 PHE A 16 10.450 24.408 -21.836 1.00 23.23 C ATOM 206 CZ PHE A 16 11.521 25.147 -22.291 1.00 4.31 C ATOM 0 H PHE A 16 11.006 26.220 -18.640 1.00 2.14 H new ATOM 0 HA PHE A 16 10.940 24.287 -16.378 1.00 60.34 H new ATOM 0 HB2 PHE A 16 12.503 23.039 -18.129 1.00 41.43 H new ATOM 0 HB3 PHE A 16 10.762 22.851 -18.188 1.00 41.43 H new ATOM 0 HD1 PHE A 16 13.485 25.000 -19.565 1.00 52.44 H new ATOM 0 HD2 PHE A 16 9.625 23.323 -20.199 1.00 61.53 H new ATOM 0 HE1 PHE A 16 13.449 25.932 -21.824 1.00 24.33 H new ATOM 0 HE2 PHE A 16 9.599 24.234 -22.478 1.00 23.23 H new ATOM 0 HZ PHE A 16 11.509 25.562 -23.288 1.00 4.31 H new ATOM 216 N PHE A 17 13.325 24.734 -15.784 1.00 3.34 N ATOM 217 CA PHE A 17 14.628 25.167 -15.291 1.00 51.42 C ATOM 218 C PHE A 17 15.603 23.999 -15.295 1.00 72.30 C ATOM 219 O PHE A 17 15.190 22.836 -15.283 1.00 3.33 O ATOM 220 CB PHE A 17 14.509 25.717 -13.859 1.00 31.34 C ATOM 221 CG PHE A 17 14.101 27.164 -13.762 1.00 30.40 C ATOM 222 CD1 PHE A 17 13.144 27.701 -14.609 1.00 64.43 C ATOM 223 CD2 PHE A 17 14.686 27.989 -12.814 1.00 72.20 C ATOM 224 CE1 PHE A 17 12.779 29.030 -14.511 1.00 12.45 C ATOM 225 CE2 PHE A 17 14.325 29.318 -12.712 1.00 73.11 C ATOM 226 CZ PHE A 17 13.370 29.840 -13.562 1.00 52.41 C ATOM 0 H PHE A 17 12.889 24.003 -15.222 1.00 3.34 H new ATOM 0 HA PHE A 17 14.995 25.955 -15.949 1.00 51.42 H new ATOM 0 HB2 PHE A 17 13.783 25.114 -13.314 1.00 31.34 H new ATOM 0 HB3 PHE A 17 15.469 25.592 -13.357 1.00 31.34 H new ATOM 0 HD1 PHE A 17 12.678 27.073 -15.354 1.00 64.43 H new ATOM 0 HD2 PHE A 17 15.434 27.587 -12.146 1.00 72.20 H new ATOM 0 HE1 PHE A 17 12.031 29.435 -15.177 1.00 12.45 H new ATOM 0 HE2 PHE A 17 14.789 29.949 -11.968 1.00 73.11 H new ATOM 0 HZ PHE A 17 13.086 30.879 -13.485 1.00 52.41 H new ATOM 236 N VAL A 18 16.893 24.306 -15.305 1.00 4.01 N ATOM 237 CA VAL A 18 17.909 23.270 -15.218 1.00 72.22 C ATOM 238 C VAL A 18 18.305 23.086 -13.761 1.00 33.02 C ATOM 239 O VAL A 18 19.123 23.839 -13.223 1.00 72.11 O ATOM 240 CB VAL A 18 19.161 23.612 -16.054 1.00 32.12 C ATOM 241 CG1 VAL A 18 20.145 22.454 -16.042 1.00 55.43 C ATOM 242 CG2 VAL A 18 18.774 23.966 -17.479 1.00 12.33 C ATOM 0 H VAL A 18 17.257 25.256 -15.372 1.00 4.01 H new ATOM 0 HA VAL A 18 17.487 22.349 -15.622 1.00 72.22 H new ATOM 0 HB VAL A 18 19.644 24.479 -15.604 1.00 32.12 H new ATOM 0 HG11 VAL A 18 21.021 22.714 -16.637 1.00 55.43 H new ATOM 0 HG12 VAL A 18 20.451 22.247 -15.017 1.00 55.43 H new ATOM 0 HG13 VAL A 18 19.670 21.568 -16.464 1.00 55.43 H new ATOM 0 HG21 VAL A 18 19.671 24.204 -18.051 1.00 12.33 H new ATOM 0 HG22 VAL A 18 18.264 23.119 -17.939 1.00 12.33 H new ATOM 0 HG23 VAL A 18 18.109 24.830 -17.472 1.00 12.33 H new ATOM 252 N LEU A 19 17.715 22.089 -13.129 1.00 51.11 N ATOM 253 CA LEU A 19 17.878 21.885 -11.705 1.00 23.23 C ATOM 254 C LEU A 19 18.698 20.630 -11.436 1.00 33.24 C ATOM 255 O LEU A 19 18.767 19.722 -12.268 1.00 54.22 O ATOM 256 CB LEU A 19 16.502 21.771 -11.037 1.00 53.14 C ATOM 257 CG LEU A 19 16.503 21.814 -9.507 1.00 54.41 C ATOM 258 CD1 LEU A 19 16.943 23.182 -9.016 1.00 73.41 C ATOM 259 CD2 LEU A 19 15.127 21.460 -8.964 1.00 25.42 C ATOM 0 H LEU A 19 17.114 21.403 -13.586 1.00 51.11 H new ATOM 0 HA LEU A 19 18.410 22.739 -11.286 1.00 23.23 H new ATOM 0 HB2 LEU A 19 15.872 22.581 -11.405 1.00 53.14 H new ATOM 0 HB3 LEU A 19 16.040 20.837 -11.356 1.00 53.14 H new ATOM 0 HG LEU A 19 17.214 21.075 -9.138 1.00 54.41 H new ATOM 0 HD11 LEU A 19 16.938 23.196 -7.926 1.00 73.41 H new ATOM 0 HD12 LEU A 19 17.950 23.392 -9.377 1.00 73.41 H new ATOM 0 HD13 LEU A 19 16.257 23.941 -9.392 1.00 73.41 H new ATOM 0 HD21 LEU A 19 15.146 21.495 -7.875 1.00 25.42 H new ATOM 0 HD22 LEU A 19 14.394 22.174 -9.338 1.00 25.42 H new ATOM 0 HD23 LEU A 19 14.854 20.456 -9.290 1.00 25.42 H new ATOM 271 N VAL A 20 19.347 20.608 -10.290 1.00 54.31 N ATOM 272 CA VAL A 20 20.059 19.432 -9.820 1.00 1.04 C ATOM 273 C VAL A 20 19.686 19.155 -8.377 1.00 52.45 C ATOM 274 O VAL A 20 19.681 20.064 -7.549 1.00 22.12 O ATOM 275 CB VAL A 20 21.593 19.604 -9.919 1.00 31.22 C ATOM 276 CG1 VAL A 20 22.324 18.415 -9.302 1.00 65.21 C ATOM 277 CG2 VAL A 20 22.017 19.786 -11.362 1.00 44.44 C ATOM 0 H VAL A 20 19.397 21.405 -9.655 1.00 54.31 H new ATOM 0 HA VAL A 20 19.770 18.597 -10.458 1.00 1.04 H new ATOM 0 HB VAL A 20 21.863 20.498 -9.357 1.00 31.22 H new ATOM 0 HG11 VAL A 20 23.400 18.566 -9.387 1.00 65.21 H new ATOM 0 HG12 VAL A 20 22.052 18.327 -8.250 1.00 65.21 H new ATOM 0 HG13 VAL A 20 22.043 17.502 -9.827 1.00 65.21 H new ATOM 0 HG21 VAL A 20 23.099 19.905 -11.411 1.00 44.44 H new ATOM 0 HG22 VAL A 20 21.722 18.911 -11.941 1.00 44.44 H new ATOM 0 HG23 VAL A 20 21.535 20.673 -11.774 1.00 44.44 H new ATOM 287 N ASN A 21 19.344 17.915 -8.089 1.00 13.51 N ATOM 288 CA ASN A 21 19.093 17.501 -6.718 1.00 61.42 C ATOM 289 C ASN A 21 20.140 16.467 -6.315 1.00 15.32 C ATOM 290 O ASN A 21 20.616 15.701 -7.154 1.00 60.15 O ATOM 291 CB ASN A 21 17.667 16.955 -6.542 1.00 40.23 C ATOM 292 CG ASN A 21 17.479 15.543 -7.064 1.00 14.14 C ATOM 293 OD1 ASN A 21 17.681 14.574 -6.335 1.00 1.33 O ATOM 294 ND2 ASN A 21 17.074 15.416 -8.317 1.00 30.15 N ATOM 0 H ASN A 21 19.233 17.176 -8.783 1.00 13.51 H new ATOM 0 HA ASN A 21 19.173 18.369 -6.063 1.00 61.42 H new ATOM 0 HB2 ASN A 21 17.408 16.978 -5.483 1.00 40.23 H new ATOM 0 HB3 ASN A 21 16.969 17.617 -7.055 1.00 40.23 H new ATOM 0 HD21 ASN A 21 16.918 14.488 -8.711 1.00 30.15 H new ATOM 0 HD22 ASN A 21 16.918 16.246 -8.889 1.00 30.15 H new ATOM 301 N ASP A 22 20.490 16.452 -5.038 1.00 31.34 N ATOM 302 CA ASP A 22 21.636 15.678 -4.554 1.00 71.21 C ATOM 303 C ASP A 22 21.418 14.166 -4.675 1.00 5.13 C ATOM 304 O ASP A 22 22.376 13.394 -4.702 1.00 75.41 O ATOM 305 CB ASP A 22 21.944 16.054 -3.098 1.00 63.32 C ATOM 306 CG ASP A 22 23.138 15.303 -2.534 1.00 13.22 C ATOM 307 OD1 ASP A 22 24.285 15.602 -2.944 1.00 4.44 O ATOM 308 OD2 ASP A 22 22.941 14.414 -1.678 1.00 22.11 O ATOM 0 H ASP A 22 19.997 16.969 -4.310 1.00 31.34 H new ATOM 0 HA ASP A 22 22.487 15.929 -5.188 1.00 71.21 H new ATOM 0 HB2 ASP A 22 22.133 17.126 -3.037 1.00 63.32 H new ATOM 0 HB3 ASP A 22 21.068 15.849 -2.482 1.00 63.32 H new ATOM 313 N GLU A 23 20.168 13.742 -4.774 1.00 75.54 N ATOM 314 CA GLU A 23 19.858 12.320 -4.791 1.00 32.45 C ATOM 315 C GLU A 23 19.587 11.818 -6.207 1.00 53.52 C ATOM 316 O GLU A 23 19.070 10.716 -6.400 1.00 4.33 O ATOM 317 CB GLU A 23 18.672 12.039 -3.875 1.00 55.34 C ATOM 318 CG GLU A 23 18.956 12.415 -2.432 1.00 3.05 C ATOM 319 CD GLU A 23 17.839 12.040 -1.489 1.00 72.14 C ATOM 320 OE1 GLU A 23 16.936 12.871 -1.272 1.00 42.25 O ATOM 321 OE2 GLU A 23 17.875 10.918 -0.942 1.00 41.22 O ATOM 0 H GLU A 23 19.357 14.356 -4.843 1.00 75.54 H new ATOM 0 HA GLU A 23 20.728 11.777 -4.422 1.00 32.45 H new ATOM 0 HB2 GLU A 23 17.803 12.594 -4.229 1.00 55.34 H new ATOM 0 HB3 GLU A 23 18.417 10.981 -3.929 1.00 55.34 H new ATOM 0 HG2 GLU A 23 19.875 11.925 -2.110 1.00 3.05 H new ATOM 0 HG3 GLU A 23 19.129 13.489 -2.371 1.00 3.05 H new ATOM 328 N ASP A 24 19.951 12.627 -7.188 1.00 13.53 N ATOM 329 CA ASP A 24 19.856 12.241 -8.591 1.00 20.35 C ATOM 330 C ASP A 24 21.069 12.812 -9.325 1.00 53.33 C ATOM 331 O ASP A 24 22.053 13.192 -8.690 1.00 63.23 O ATOM 332 CB ASP A 24 18.545 12.762 -9.207 1.00 43.45 C ATOM 333 CG ASP A 24 18.108 12.003 -10.455 1.00 72.21 C ATOM 334 OD1 ASP A 24 18.689 12.231 -11.538 1.00 61.12 O ATOM 335 OD2 ASP A 24 17.160 11.192 -10.367 1.00 52.14 O ATOM 0 H ASP A 24 20.319 13.566 -7.038 1.00 13.53 H new ATOM 0 HA ASP A 24 19.848 11.155 -8.682 1.00 20.35 H new ATOM 0 HB2 ASP A 24 17.754 12.701 -8.460 1.00 43.45 H new ATOM 0 HB3 ASP A 24 18.666 13.816 -9.458 1.00 43.45 H new ATOM 340 N GLN A 25 21.015 12.870 -10.641 1.00 74.12 N ATOM 341 CA GLN A 25 22.107 13.428 -11.420 1.00 5.14 C ATOM 342 C GLN A 25 21.756 14.841 -11.866 1.00 61.33 C ATOM 343 O GLN A 25 22.505 15.789 -11.634 1.00 2.43 O ATOM 344 CB GLN A 25 22.382 12.554 -12.643 1.00 50.45 C ATOM 345 CG GLN A 25 22.644 11.093 -12.314 1.00 62.10 C ATOM 346 CD GLN A 25 22.800 10.233 -13.556 1.00 4.10 C ATOM 347 OE1 GLN A 25 23.312 10.819 -14.627 1.00 73.34 O flip ATOM 348 NE2 GLN A 25 22.462 9.050 -13.554 1.00 42.45 N flip ATOM 0 H GLN A 25 20.226 12.538 -11.196 1.00 74.12 H new ATOM 0 HA GLN A 25 23.002 13.459 -10.799 1.00 5.14 H new ATOM 0 HB2 GLN A 25 21.530 12.616 -13.320 1.00 50.45 H new ATOM 0 HB3 GLN A 25 23.243 12.955 -13.177 1.00 50.45 H new ATOM 0 HG2 GLN A 25 23.547 11.017 -11.708 1.00 62.10 H new ATOM 0 HG3 GLN A 25 21.822 10.707 -11.711 1.00 62.10 H new ATOM 0 HE21 GLN A 25 22.071 8.633 -12.709 1.00 42.45 H new ATOM 0 HE22 GLN A 25 22.573 8.487 -14.397 1.00 42.45 H new ATOM 357 N HIS A 26 20.595 14.967 -12.494 1.00 20.14 N ATOM 358 CA HIS A 26 20.092 16.245 -12.990 1.00 44.33 C ATOM 359 C HIS A 26 18.575 16.177 -13.067 1.00 25.54 C ATOM 360 O HIS A 26 17.997 15.093 -13.021 1.00 2.13 O ATOM 361 CB HIS A 26 20.663 16.584 -14.382 1.00 1.43 C ATOM 362 CG HIS A 26 22.070 17.111 -14.378 1.00 15.33 C ATOM 363 ND1 HIS A 26 22.368 18.456 -14.354 1.00 25.13 N ATOM 364 CD2 HIS A 26 23.262 16.469 -14.415 1.00 31.34 C ATOM 365 CE1 HIS A 26 23.678 18.615 -14.373 1.00 13.51 C ATOM 366 NE2 HIS A 26 24.244 17.427 -14.410 1.00 71.22 N ATOM 0 H HIS A 26 19.970 14.182 -12.676 1.00 20.14 H new ATOM 0 HA HIS A 26 20.409 17.029 -12.303 1.00 44.33 H new ATOM 0 HB2 HIS A 26 20.628 15.687 -15.001 1.00 1.43 H new ATOM 0 HB3 HIS A 26 20.015 17.323 -14.854 1.00 1.43 H new ATOM 0 HD1 HIS A 26 21.683 19.211 -14.326 1.00 25.13 H new ATOM 0 HD2 HIS A 26 23.412 15.400 -14.443 1.00 31.34 H new ATOM 0 HE1 HIS A 26 24.198 19.561 -14.360 1.00 13.51 H new ATOM 375 N SER A 27 17.924 17.321 -13.172 1.00 70.05 N ATOM 376 CA SER A 27 16.473 17.354 -13.241 1.00 44.25 C ATOM 377 C SER A 27 15.983 18.525 -14.086 1.00 53.24 C ATOM 378 O SER A 27 16.397 19.664 -13.882 1.00 54.43 O ATOM 379 CB SER A 27 15.890 17.454 -11.827 1.00 40.02 C ATOM 380 OG SER A 27 16.378 16.407 -10.999 1.00 42.35 O ATOM 0 H SER A 27 18.373 18.236 -13.211 1.00 70.05 H new ATOM 0 HA SER A 27 16.135 16.432 -13.714 1.00 44.25 H new ATOM 0 HB2 SER A 27 16.149 18.418 -11.390 1.00 40.02 H new ATOM 0 HB3 SER A 27 14.802 17.408 -11.874 1.00 40.02 H new ATOM 0 HG SER A 27 15.652 16.074 -10.430 1.00 42.35 H new ATOM 386 N LEU A 28 15.121 18.238 -15.049 1.00 62.10 N ATOM 387 CA LEU A 28 14.414 19.289 -15.763 1.00 50.32 C ATOM 388 C LEU A 28 13.154 19.637 -14.984 1.00 31.11 C ATOM 389 O LEU A 28 12.144 18.935 -15.059 1.00 61.20 O ATOM 390 CB LEU A 28 14.073 18.858 -17.193 1.00 53.12 C ATOM 391 CG LEU A 28 14.877 19.561 -18.295 1.00 43.24 C ATOM 392 CD1 LEU A 28 14.548 21.046 -18.321 1.00 11.32 C ATOM 393 CD2 LEU A 28 16.371 19.348 -18.091 1.00 22.11 C ATOM 0 H LEU A 28 14.895 17.291 -15.353 1.00 62.10 H new ATOM 0 HA LEU A 28 15.054 20.168 -15.842 1.00 50.32 H new ATOM 0 HB2 LEU A 28 14.231 17.783 -17.279 1.00 53.12 H new ATOM 0 HB3 LEU A 28 13.012 19.039 -17.367 1.00 53.12 H new ATOM 0 HG LEU A 28 14.600 19.126 -19.255 1.00 43.24 H new ATOM 0 HD11 LEU A 28 15.125 21.533 -19.107 1.00 11.32 H new ATOM 0 HD12 LEU A 28 13.484 21.180 -18.516 1.00 11.32 H new ATOM 0 HD13 LEU A 28 14.799 21.491 -17.358 1.00 11.32 H new ATOM 0 HD21 LEU A 28 16.922 19.855 -18.883 1.00 22.11 H new ATOM 0 HD22 LEU A 28 16.668 19.755 -17.125 1.00 22.11 H new ATOM 0 HD23 LEU A 28 16.594 18.281 -18.119 1.00 22.11 H new ATOM 405 N TRP A 29 13.233 20.706 -14.215 1.00 50.34 N ATOM 406 CA TRP A 29 12.202 21.029 -13.246 1.00 20.41 C ATOM 407 C TRP A 29 11.381 22.226 -13.710 1.00 32.24 C ATOM 408 O TRP A 29 11.929 23.285 -14.006 1.00 74.10 O ATOM 409 CB TRP A 29 12.858 21.314 -11.892 1.00 43.11 C ATOM 410 CG TRP A 29 11.889 21.449 -10.761 1.00 62.11 C ATOM 411 CD1 TRP A 29 11.546 22.598 -10.112 1.00 23.24 C ATOM 412 CD2 TRP A 29 11.148 20.396 -10.137 1.00 74.32 C ATOM 413 NE1 TRP A 29 10.632 22.325 -9.125 1.00 60.32 N ATOM 414 CE2 TRP A 29 10.371 20.980 -9.121 1.00 25.15 C ATOM 415 CE3 TRP A 29 11.062 19.014 -10.340 1.00 12.00 C ATOM 416 CZ2 TRP A 29 9.522 20.234 -8.312 1.00 50.34 C ATOM 417 CZ3 TRP A 29 10.219 18.273 -9.534 1.00 73.52 C ATOM 418 CH2 TRP A 29 9.456 18.885 -8.533 1.00 70.13 C ATOM 0 H TRP A 29 14.006 21.370 -14.243 1.00 50.34 H new ATOM 0 HA TRP A 29 11.523 20.182 -13.147 1.00 20.41 H new ATOM 0 HB2 TRP A 29 13.558 20.510 -11.663 1.00 43.11 H new ATOM 0 HB3 TRP A 29 13.441 22.232 -11.969 1.00 43.11 H new ATOM 0 HD1 TRP A 29 11.936 23.579 -10.341 1.00 23.24 H new ATOM 0 HE1 TRP A 29 10.215 23.012 -8.497 1.00 60.32 H new ATOM 0 HE3 TRP A 29 11.644 18.535 -11.113 1.00 12.00 H new ATOM 0 HZ2 TRP A 29 8.935 20.703 -7.536 1.00 50.34 H new ATOM 0 HZ3 TRP A 29 10.148 17.205 -9.679 1.00 73.52 H new ATOM 0 HH2 TRP A 29 8.802 18.280 -7.922 1.00 70.13 H new ATOM 429 N PRO A 30 10.052 22.062 -13.800 1.00 72.53 N ATOM 430 CA PRO A 30 9.150 23.142 -14.203 1.00 63.44 C ATOM 431 C PRO A 30 9.083 24.255 -13.159 1.00 0.24 C ATOM 432 O PRO A 30 8.936 23.992 -11.965 1.00 73.54 O ATOM 433 CB PRO A 30 7.792 22.446 -14.339 1.00 4.34 C ATOM 434 CG PRO A 30 7.890 21.237 -13.473 1.00 3.34 C ATOM 435 CD PRO A 30 9.330 20.808 -13.521 1.00 51.14 C ATOM 0 HA PRO A 30 9.481 23.630 -15.120 1.00 63.44 H new ATOM 0 HB2 PRO A 30 6.980 23.098 -14.016 1.00 4.34 H new ATOM 0 HB3 PRO A 30 7.590 22.174 -15.375 1.00 4.34 H new ATOM 0 HG2 PRO A 30 7.584 21.463 -12.451 1.00 3.34 H new ATOM 0 HG3 PRO A 30 7.235 20.444 -13.834 1.00 3.34 H new ATOM 0 HD2 PRO A 30 9.648 20.363 -12.578 1.00 51.14 H new ATOM 0 HD3 PRO A 30 9.502 20.064 -14.299 1.00 51.14 H new ATOM 443 N VAL A 31 9.163 25.498 -13.619 1.00 5.34 N ATOM 444 CA VAL A 31 9.167 26.656 -12.726 1.00 31.12 C ATOM 445 C VAL A 31 7.811 26.821 -12.038 1.00 22.24 C ATOM 446 O VAL A 31 7.691 27.521 -11.034 1.00 72.24 O ATOM 447 CB VAL A 31 9.529 27.953 -13.491 1.00 4.33 C ATOM 448 CG1 VAL A 31 8.424 28.346 -14.456 1.00 70.22 C ATOM 449 CG2 VAL A 31 9.841 29.094 -12.529 1.00 74.32 C ATOM 0 H VAL A 31 9.226 25.733 -14.610 1.00 5.34 H new ATOM 0 HA VAL A 31 9.928 26.478 -11.966 1.00 31.12 H new ATOM 0 HB VAL A 31 10.428 27.751 -14.073 1.00 4.33 H new ATOM 0 HG11 VAL A 31 8.706 29.260 -14.979 1.00 70.22 H new ATOM 0 HG12 VAL A 31 8.272 27.546 -15.180 1.00 70.22 H new ATOM 0 HG13 VAL A 31 7.500 28.515 -13.902 1.00 70.22 H new ATOM 0 HG21 VAL A 31 10.091 29.990 -13.097 1.00 74.32 H new ATOM 0 HG22 VAL A 31 8.970 29.292 -11.904 1.00 74.32 H new ATOM 0 HG23 VAL A 31 10.685 28.817 -11.897 1.00 74.32 H new ATOM 459 N PHE A 32 6.795 26.160 -12.577 1.00 43.21 N ATOM 460 CA PHE A 32 5.462 26.193 -11.988 1.00 54.23 C ATOM 461 C PHE A 32 5.413 25.334 -10.723 1.00 21.23 C ATOM 462 O PHE A 32 4.484 25.437 -9.922 1.00 40.43 O ATOM 463 CB PHE A 32 4.426 25.703 -13.008 1.00 43.03 C ATOM 464 CG PHE A 32 2.998 25.817 -12.538 1.00 53.00 C ATOM 465 CD1 PHE A 32 2.362 27.046 -12.511 1.00 61.21 C ATOM 466 CD2 PHE A 32 2.296 24.693 -12.128 1.00 4.02 C ATOM 467 CE1 PHE A 32 1.053 27.155 -12.081 1.00 63.22 C ATOM 468 CE2 PHE A 32 0.987 24.797 -11.698 1.00 34.13 C ATOM 469 CZ PHE A 32 0.364 26.029 -11.676 1.00 44.13 C ATOM 0 H PHE A 32 6.868 25.594 -13.422 1.00 43.21 H new ATOM 0 HA PHE A 32 5.226 27.221 -11.713 1.00 54.23 H new ATOM 0 HB2 PHE A 32 4.541 26.274 -13.929 1.00 43.03 H new ATOM 0 HB3 PHE A 32 4.635 24.661 -13.251 1.00 43.03 H new ATOM 0 HD1 PHE A 32 2.895 27.930 -12.830 1.00 61.21 H new ATOM 0 HD2 PHE A 32 2.778 23.726 -12.145 1.00 4.02 H new ATOM 0 HE1 PHE A 32 0.569 28.120 -12.062 1.00 63.22 H new ATOM 0 HE2 PHE A 32 0.451 23.915 -11.379 1.00 34.13 H new ATOM 0 HZ PHE A 32 -0.660 26.112 -11.343 1.00 44.13 H new ATOM 479 N ALA A 33 6.425 24.497 -10.542 1.00 62.53 N ATOM 480 CA ALA A 33 6.489 23.613 -9.391 1.00 73.21 C ATOM 481 C ALA A 33 7.482 24.147 -8.368 1.00 14.11 C ATOM 482 O ALA A 33 8.532 24.683 -8.726 1.00 13.22 O ATOM 483 CB ALA A 33 6.876 22.210 -9.830 1.00 74.20 C ATOM 0 H ALA A 33 7.215 24.413 -11.182 1.00 62.53 H new ATOM 0 HA ALA A 33 5.505 23.572 -8.924 1.00 73.21 H new ATOM 0 HB1 ALA A 33 6.921 21.556 -8.959 1.00 74.20 H new ATOM 0 HB2 ALA A 33 6.133 21.830 -10.531 1.00 74.20 H new ATOM 0 HB3 ALA A 33 7.852 22.237 -10.315 1.00 74.20 H new ATOM 489 N ASP A 34 7.134 24.017 -7.098 1.00 73.54 N ATOM 490 CA ASP A 34 7.996 24.462 -6.013 1.00 12.01 C ATOM 491 C ASP A 34 9.253 23.602 -5.931 1.00 25.54 C ATOM 492 O ASP A 34 9.185 22.376 -6.013 1.00 43.40 O ATOM 493 CB ASP A 34 7.238 24.417 -4.686 1.00 72.34 C ATOM 494 CG ASP A 34 8.124 24.747 -3.504 1.00 35.13 C ATOM 495 OD1 ASP A 34 8.537 25.921 -3.371 1.00 51.51 O ATOM 496 OD2 ASP A 34 8.420 23.835 -2.704 1.00 44.20 O ATOM 0 H ASP A 34 6.254 23.604 -6.791 1.00 73.54 H new ATOM 0 HA ASP A 34 8.298 25.490 -6.214 1.00 12.01 H new ATOM 0 HB2 ASP A 34 6.407 25.121 -4.721 1.00 72.34 H new ATOM 0 HB3 ASP A 34 6.809 23.424 -4.549 1.00 72.34 H new ATOM 501 N ILE A 35 10.397 24.254 -5.779 1.00 23.41 N ATOM 502 CA ILE A 35 11.675 23.564 -5.686 1.00 54.34 C ATOM 503 C ILE A 35 11.876 23.009 -4.273 1.00 65.45 C ATOM 504 O ILE A 35 11.882 23.763 -3.302 1.00 14.24 O ATOM 505 CB ILE A 35 12.841 24.509 -6.048 1.00 10.14 C ATOM 506 CG1 ILE A 35 12.566 25.209 -7.385 1.00 72.42 C ATOM 507 CG2 ILE A 35 14.141 23.730 -6.122 1.00 64.03 C ATOM 508 CD1 ILE A 35 13.620 26.224 -7.770 1.00 60.24 C ATOM 0 H ILE A 35 10.465 25.270 -5.717 1.00 23.41 H new ATOM 0 HA ILE A 35 11.665 22.739 -6.398 1.00 54.34 H new ATOM 0 HB ILE A 35 12.929 25.268 -5.270 1.00 10.14 H new ATOM 0 HG12 ILE A 35 12.495 24.457 -8.171 1.00 72.42 H new ATOM 0 HG13 ILE A 35 11.598 25.707 -7.332 1.00 72.42 H new ATOM 0 HG21 ILE A 35 14.956 24.406 -6.378 1.00 64.03 H new ATOM 0 HG22 ILE A 35 14.343 23.267 -5.156 1.00 64.03 H new ATOM 0 HG23 ILE A 35 14.058 22.956 -6.885 1.00 64.03 H new ATOM 0 HD11 ILE A 35 13.357 26.677 -8.726 1.00 60.24 H new ATOM 0 HD12 ILE A 35 13.676 26.998 -7.005 1.00 60.24 H new ATOM 0 HD13 ILE A 35 14.587 25.729 -7.857 1.00 60.24 H new ATOM 520 N PRO A 36 12.033 21.677 -4.143 1.00 20.01 N ATOM 521 CA PRO A 36 12.058 20.995 -2.839 1.00 12.02 C ATOM 522 C PRO A 36 13.291 21.313 -1.975 1.00 43.41 C ATOM 523 O PRO A 36 13.332 22.347 -1.309 1.00 52.44 O ATOM 524 CB PRO A 36 12.010 19.511 -3.210 1.00 34.45 C ATOM 525 CG PRO A 36 12.573 19.444 -4.590 1.00 42.11 C ATOM 526 CD PRO A 36 12.182 20.730 -5.263 1.00 44.21 C ATOM 0 HA PRO A 36 11.228 21.325 -2.214 1.00 12.02 H new ATOM 0 HB2 PRO A 36 12.596 18.910 -2.514 1.00 34.45 H new ATOM 0 HB3 PRO A 36 10.990 19.129 -3.180 1.00 34.45 H new ATOM 0 HG2 PRO A 36 13.657 19.332 -4.564 1.00 42.11 H new ATOM 0 HG3 PRO A 36 12.177 18.585 -5.131 1.00 42.11 H new ATOM 0 HD2 PRO A 36 12.944 21.061 -5.969 1.00 44.21 H new ATOM 0 HD3 PRO A 36 11.253 20.623 -5.823 1.00 44.21 H new ATOM 534 N ALA A 37 14.293 20.432 -1.974 1.00 32.34 N ATOM 535 CA ALA A 37 15.446 20.600 -1.098 1.00 62.32 C ATOM 536 C ALA A 37 16.696 19.969 -1.703 1.00 3.44 C ATOM 537 O ALA A 37 16.600 19.096 -2.573 1.00 34.45 O ATOM 538 CB ALA A 37 15.153 19.981 0.255 1.00 21.30 C ATOM 0 H ALA A 37 14.327 19.602 -2.566 1.00 32.34 H new ATOM 0 HA ALA A 37 15.634 21.667 -0.978 1.00 62.32 H new ATOM 0 HB1 ALA A 37 16.017 20.108 0.908 1.00 21.30 H new ATOM 0 HB2 ALA A 37 14.287 20.471 0.699 1.00 21.30 H new ATOM 0 HB3 ALA A 37 14.945 18.918 0.131 1.00 21.30 H new ATOM 544 N GLY A 38 17.868 20.404 -1.237 1.00 61.52 N ATOM 545 CA GLY A 38 19.115 19.881 -1.766 1.00 71.31 C ATOM 546 C GLY A 38 19.300 20.262 -3.218 1.00 52.02 C ATOM 547 O GLY A 38 19.918 19.532 -3.994 1.00 65.45 O ATOM 0 H GLY A 38 17.973 21.107 -0.505 1.00 61.52 H new ATOM 0 HA2 GLY A 38 19.950 20.263 -1.179 1.00 71.31 H new ATOM 0 HA3 GLY A 38 19.127 18.795 -1.669 1.00 71.31 H new ATOM 551 N TRP A 39 18.745 21.408 -3.578 1.00 1.04 N ATOM 552 CA TRP A 39 18.658 21.814 -4.967 1.00 71.10 C ATOM 553 C TRP A 39 19.798 22.737 -5.379 1.00 53.52 C ATOM 554 O TRP A 39 20.223 23.618 -4.626 1.00 43.22 O ATOM 555 CB TRP A 39 17.307 22.486 -5.228 1.00 61.05 C ATOM 556 CG TRP A 39 16.936 23.528 -4.211 1.00 75.23 C ATOM 557 CD1 TRP A 39 16.242 23.326 -3.052 1.00 40.04 C ATOM 558 CD2 TRP A 39 17.221 24.934 -4.266 1.00 15.24 C ATOM 559 NE1 TRP A 39 16.091 24.513 -2.380 1.00 74.21 N ATOM 560 CE2 TRP A 39 16.682 25.513 -3.103 1.00 52.15 C ATOM 561 CE3 TRP A 39 17.888 25.756 -5.180 1.00 41.43 C ATOM 562 CZ2 TRP A 39 16.782 26.874 -2.832 1.00 4.21 C ATOM 563 CZ3 TRP A 39 17.987 27.107 -4.909 1.00 21.35 C ATOM 564 CH2 TRP A 39 17.438 27.656 -3.742 1.00 62.42 C ATOM 0 H TRP A 39 18.346 22.077 -2.920 1.00 1.04 H new ATOM 0 HA TRP A 39 18.745 20.914 -5.576 1.00 71.10 H new ATOM 0 HB2 TRP A 39 17.327 22.948 -6.215 1.00 61.05 H new ATOM 0 HB3 TRP A 39 16.531 21.721 -5.249 1.00 61.05 H new ATOM 0 HD1 TRP A 39 15.867 22.371 -2.714 1.00 40.04 H new ATOM 0 HE1 TRP A 39 15.615 24.631 -1.486 1.00 74.21 H new ATOM 0 HE3 TRP A 39 18.317 25.342 -6.081 1.00 41.43 H new ATOM 0 HZ2 TRP A 39 16.356 27.298 -1.934 1.00 4.21 H new ATOM 0 HZ3 TRP A 39 18.497 27.752 -5.609 1.00 21.35 H new ATOM 0 HH2 TRP A 39 17.535 28.716 -3.558 1.00 62.42 H new ATOM 575 N ARG A 40 20.300 22.498 -6.578 1.00 15.10 N ATOM 576 CA ARG A 40 21.296 23.352 -7.205 1.00 61.03 C ATOM 577 C ARG A 40 20.785 23.803 -8.568 1.00 54.24 C ATOM 578 O ARG A 40 20.584 22.980 -9.463 1.00 13.25 O ATOM 579 CB ARG A 40 22.627 22.610 -7.381 1.00 5.24 C ATOM 580 CG ARG A 40 23.606 22.775 -6.226 1.00 52.34 C ATOM 581 CD ARG A 40 23.069 22.217 -4.920 1.00 31.33 C ATOM 582 NE ARG A 40 24.090 22.229 -3.874 1.00 23.32 N ATOM 583 CZ ARG A 40 24.176 23.152 -2.916 1.00 30.25 C ATOM 584 NH1 ARG A 40 23.277 24.128 -2.841 1.00 71.53 N ATOM 585 NH2 ARG A 40 25.166 23.090 -2.032 1.00 14.54 N ATOM 0 H ARG A 40 20.026 21.699 -7.150 1.00 15.10 H new ATOM 0 HA ARG A 40 21.466 24.215 -6.561 1.00 61.03 H new ATOM 0 HB2 ARG A 40 22.420 21.548 -7.515 1.00 5.24 H new ATOM 0 HB3 ARG A 40 23.104 22.960 -8.296 1.00 5.24 H new ATOM 0 HG2 ARG A 40 24.542 22.274 -6.473 1.00 52.34 H new ATOM 0 HG3 ARG A 40 23.836 23.833 -6.098 1.00 52.34 H new ATOM 0 HD2 ARG A 40 22.209 22.805 -4.598 1.00 31.33 H new ATOM 0 HD3 ARG A 40 22.718 21.197 -5.076 1.00 31.33 H new ATOM 0 HE ARG A 40 24.783 21.481 -3.877 1.00 23.32 H new ATOM 0 HH11 ARG A 40 22.516 24.174 -3.519 1.00 71.53 H new ATOM 0 HH12 ARG A 40 23.348 24.831 -2.106 1.00 71.53 H new ATOM 0 HH21 ARG A 40 25.854 22.339 -2.089 1.00 14.54 H new ATOM 0 HH22 ARG A 40 25.238 23.793 -1.296 1.00 14.54 H new ATOM 599 N VAL A 41 20.550 25.098 -8.721 1.00 40.24 N ATOM 600 CA VAL A 41 20.084 25.634 -9.996 1.00 71.24 C ATOM 601 C VAL A 41 21.266 25.884 -10.923 1.00 31.12 C ATOM 602 O VAL A 41 22.098 26.754 -10.668 1.00 65.41 O ATOM 603 CB VAL A 41 19.279 26.941 -9.822 1.00 61.45 C ATOM 604 CG1 VAL A 41 18.861 27.498 -11.177 1.00 25.00 C ATOM 605 CG2 VAL A 41 18.054 26.705 -8.952 1.00 14.32 C ATOM 0 H VAL A 41 20.672 25.794 -7.986 1.00 40.24 H new ATOM 0 HA VAL A 41 19.419 24.889 -10.433 1.00 71.24 H new ATOM 0 HB VAL A 41 19.921 27.671 -9.328 1.00 61.45 H new ATOM 0 HG11 VAL A 41 18.295 28.418 -11.033 1.00 25.00 H new ATOM 0 HG12 VAL A 41 19.749 27.707 -11.774 1.00 25.00 H new ATOM 0 HG13 VAL A 41 18.240 26.767 -11.695 1.00 25.00 H new ATOM 0 HG21 VAL A 41 17.501 27.638 -8.842 1.00 14.32 H new ATOM 0 HG22 VAL A 41 17.414 25.957 -9.420 1.00 14.32 H new ATOM 0 HG23 VAL A 41 18.368 26.351 -7.970 1.00 14.32 H new ATOM 615 N VAL A 42 21.344 25.102 -11.992 1.00 40.32 N ATOM 616 CA VAL A 42 22.413 25.248 -12.967 1.00 63.24 C ATOM 617 C VAL A 42 22.093 26.401 -13.909 1.00 50.15 C ATOM 618 O VAL A 42 22.965 27.191 -14.264 1.00 15.22 O ATOM 619 CB VAL A 42 22.620 23.954 -13.788 1.00 42.14 C ATOM 620 CG1 VAL A 42 23.838 24.070 -14.697 1.00 23.52 C ATOM 621 CG2 VAL A 42 22.749 22.755 -12.859 1.00 52.31 C ATOM 0 H VAL A 42 20.678 24.359 -12.205 1.00 40.32 H new ATOM 0 HA VAL A 42 23.335 25.453 -12.423 1.00 63.24 H new ATOM 0 HB VAL A 42 21.746 23.808 -14.423 1.00 42.14 H new ATOM 0 HG11 VAL A 42 23.959 23.146 -15.262 1.00 23.52 H new ATOM 0 HG12 VAL A 42 23.699 24.902 -15.387 1.00 23.52 H new ATOM 0 HG13 VAL A 42 24.728 24.245 -14.092 1.00 23.52 H new ATOM 0 HG21 VAL A 42 22.894 21.851 -13.450 1.00 52.31 H new ATOM 0 HG22 VAL A 42 23.604 22.897 -12.198 1.00 52.31 H new ATOM 0 HG23 VAL A 42 21.842 22.657 -12.263 1.00 52.31 H new ATOM 631 N HIS A 43 20.825 26.491 -14.289 1.00 32.14 N ATOM 632 CA HIS A 43 20.341 27.548 -15.171 1.00 42.41 C ATOM 633 C HIS A 43 18.843 27.725 -14.991 1.00 1.25 C ATOM 634 O HIS A 43 18.156 26.798 -14.558 1.00 24.14 O ATOM 635 CB HIS A 43 20.645 27.236 -16.642 1.00 4.00 C ATOM 636 CG HIS A 43 22.001 27.680 -17.094 1.00 10.14 C ATOM 637 ND1 HIS A 43 22.391 29.001 -17.110 1.00 72.12 N ATOM 638 CD2 HIS A 43 23.061 26.971 -17.549 1.00 61.44 C ATOM 639 CE1 HIS A 43 23.629 29.087 -17.556 1.00 25.41 C ATOM 640 NE2 HIS A 43 24.057 27.871 -17.829 1.00 3.32 N ATOM 0 H HIS A 43 20.102 25.834 -13.995 1.00 32.14 H new ATOM 0 HA HIS A 43 20.859 28.469 -14.903 1.00 42.41 H new ATOM 0 HB2 HIS A 43 20.555 26.161 -16.800 1.00 4.00 H new ATOM 0 HB3 HIS A 43 19.891 27.714 -17.267 1.00 4.00 H new ATOM 0 HD2 HIS A 43 23.112 25.899 -17.669 1.00 61.44 H new ATOM 0 HE1 HIS A 43 24.195 29.999 -17.677 1.00 25.41 H new ATOM 0 HE2 HIS A 43 24.981 27.637 -18.191 1.00 3.32 H new ATOM 649 N GLY A 44 18.341 28.909 -15.320 1.00 64.42 N ATOM 650 CA GLY A 44 16.916 29.162 -15.228 1.00 40.31 C ATOM 651 C GLY A 44 16.167 28.564 -16.394 1.00 11.43 C ATOM 652 O GLY A 44 16.473 27.454 -16.834 1.00 14.32 O ATOM 0 H GLY A 44 18.896 29.699 -15.649 1.00 64.42 H new ATOM 0 HA2 GLY A 44 16.532 28.746 -14.297 1.00 40.31 H new ATOM 0 HA3 GLY A 44 16.739 30.237 -15.194 1.00 40.31 H new ATOM 656 N GLU A 45 15.184 29.288 -16.907 1.00 41.53 N ATOM 657 CA GLU A 45 14.454 28.808 -18.066 1.00 24.13 C ATOM 658 C GLU A 45 15.263 29.046 -19.332 1.00 75.21 C ATOM 659 O GLU A 45 15.318 30.145 -19.875 1.00 73.32 O ATOM 660 CB GLU A 45 13.027 29.395 -18.146 1.00 41.13 C ATOM 661 CG GLU A 45 12.908 30.893 -17.897 1.00 22.15 C ATOM 662 CD GLU A 45 12.979 31.722 -19.162 1.00 40.03 C ATOM 663 OE1 GLU A 45 12.343 31.340 -20.165 1.00 61.15 O ATOM 664 OE2 GLU A 45 13.652 32.774 -19.154 1.00 54.25 O ATOM 0 H GLU A 45 14.879 30.192 -16.547 1.00 41.53 H new ATOM 0 HA GLU A 45 14.316 27.732 -17.960 1.00 24.13 H new ATOM 0 HB2 GLU A 45 12.620 29.177 -19.134 1.00 41.13 H new ATOM 0 HB3 GLU A 45 12.400 28.875 -17.422 1.00 41.13 H new ATOM 0 HG2 GLU A 45 11.964 31.096 -17.392 1.00 22.15 H new ATOM 0 HG3 GLU A 45 13.704 31.206 -17.222 1.00 22.15 H new ATOM 671 N ALA A 46 15.939 27.995 -19.753 1.00 42.34 N ATOM 672 CA ALA A 46 16.749 28.006 -20.958 1.00 4.43 C ATOM 673 C ALA A 46 16.106 27.109 -21.998 1.00 3.13 C ATOM 674 O ALA A 46 15.212 26.345 -21.662 1.00 72.05 O ATOM 675 CB ALA A 46 18.164 27.543 -20.648 1.00 74.23 C ATOM 0 H ALA A 46 15.942 27.100 -19.264 1.00 42.34 H new ATOM 0 HA ALA A 46 16.807 29.022 -21.349 1.00 4.43 H new ATOM 0 HB1 ALA A 46 18.759 27.556 -21.561 1.00 74.23 H new ATOM 0 HB2 ALA A 46 18.612 28.211 -19.912 1.00 74.23 H new ATOM 0 HB3 ALA A 46 18.136 26.529 -20.248 1.00 74.23 H new ATOM 681 N SER A 47 16.550 27.211 -23.245 1.00 52.43 N ATOM 682 CA SER A 47 15.960 26.447 -24.345 1.00 21.43 C ATOM 683 C SER A 47 15.743 24.974 -23.968 1.00 15.04 C ATOM 684 O SER A 47 16.663 24.299 -23.499 1.00 74.34 O ATOM 685 CB SER A 47 16.863 26.547 -25.573 1.00 75.44 C ATOM 686 OG SER A 47 17.215 27.897 -25.840 1.00 33.40 O ATOM 0 H SER A 47 17.321 27.818 -23.524 1.00 52.43 H new ATOM 0 HA SER A 47 14.982 26.873 -24.567 1.00 21.43 H new ATOM 0 HB2 SER A 47 17.766 25.957 -25.413 1.00 75.44 H new ATOM 0 HB3 SER A 47 16.354 26.123 -26.438 1.00 75.44 H new ATOM 0 HG SER A 47 17.794 27.934 -26.629 1.00 33.40 H new ATOM 692 N ARG A 48 14.518 24.494 -24.185 1.00 24.40 N ATOM 693 CA ARG A 48 14.109 23.137 -23.815 1.00 63.42 C ATOM 694 C ARG A 48 15.068 22.084 -24.373 1.00 12.32 C ATOM 695 O ARG A 48 15.575 21.238 -23.625 1.00 12.12 O ATOM 696 CB ARG A 48 12.680 22.888 -24.319 1.00 31.24 C ATOM 697 CG ARG A 48 12.189 21.457 -24.186 1.00 63.13 C ATOM 698 CD ARG A 48 11.644 21.169 -22.801 1.00 15.30 C ATOM 699 NE ARG A 48 10.635 20.110 -22.843 1.00 30.40 N ATOM 700 CZ ARG A 48 9.725 19.897 -21.893 1.00 64.14 C ATOM 701 NH1 ARG A 48 9.749 20.604 -20.769 1.00 2.12 N ATOM 702 NH2 ARG A 48 8.794 18.968 -22.071 1.00 42.11 N ATOM 0 H ARG A 48 13.776 25.039 -24.625 1.00 24.40 H new ATOM 0 HA ARG A 48 14.137 23.050 -22.729 1.00 63.42 H new ATOM 0 HB2 ARG A 48 12.000 23.541 -23.772 1.00 31.24 H new ATOM 0 HB3 ARG A 48 12.626 23.178 -25.368 1.00 31.24 H new ATOM 0 HG2 ARG A 48 11.412 21.270 -24.927 1.00 63.13 H new ATOM 0 HG3 ARG A 48 13.008 20.771 -24.403 1.00 63.13 H new ATOM 0 HD2 ARG A 48 12.459 20.873 -22.140 1.00 15.30 H new ATOM 0 HD3 ARG A 48 11.207 22.076 -22.383 1.00 15.30 H new ATOM 0 HE ARG A 48 10.628 19.493 -23.655 1.00 30.40 H new ATOM 0 HH11 ARG A 48 10.467 21.315 -20.629 1.00 2.12 H new ATOM 0 HH12 ARG A 48 9.050 20.436 -20.046 1.00 2.12 H new ATOM 0 HH21 ARG A 48 8.777 18.421 -22.932 1.00 42.11 H new ATOM 0 HH22 ARG A 48 8.095 18.801 -21.347 1.00 42.11 H new ATOM 716 N ALA A 49 15.318 22.146 -25.677 1.00 71.21 N ATOM 717 CA ALA A 49 16.205 21.196 -26.336 1.00 23.33 C ATOM 718 C ALA A 49 17.598 21.232 -25.720 1.00 12.42 C ATOM 719 O ALA A 49 18.183 20.189 -25.436 1.00 4.23 O ATOM 720 CB ALA A 49 16.278 21.480 -27.829 1.00 24.31 C ATOM 0 H ALA A 49 14.917 22.847 -26.300 1.00 71.21 H new ATOM 0 HA ALA A 49 15.795 20.196 -26.191 1.00 23.33 H new ATOM 0 HB1 ALA A 49 16.945 20.761 -28.304 1.00 24.31 H new ATOM 0 HB2 ALA A 49 15.283 21.395 -28.265 1.00 24.31 H new ATOM 0 HB3 ALA A 49 16.659 22.489 -27.989 1.00 24.31 H new ATOM 726 N ALA A 50 18.112 22.438 -25.505 1.00 1.42 N ATOM 727 CA ALA A 50 19.435 22.620 -24.914 1.00 72.11 C ATOM 728 C ALA A 50 19.505 22.024 -23.511 1.00 72.52 C ATOM 729 O ALA A 50 20.506 21.416 -23.141 1.00 11.34 O ATOM 730 CB ALA A 50 19.806 24.094 -24.880 1.00 20.13 C ATOM 0 H ALA A 50 17.631 23.308 -25.732 1.00 1.42 H new ATOM 0 HA ALA A 50 20.153 22.090 -25.540 1.00 72.11 H new ATOM 0 HB1 ALA A 50 20.795 24.210 -24.436 1.00 20.13 H new ATOM 0 HB2 ALA A 50 19.815 24.490 -25.895 1.00 20.13 H new ATOM 0 HB3 ALA A 50 19.075 24.640 -24.284 1.00 20.13 H new ATOM 736 N CYS A 51 18.441 22.205 -22.735 1.00 34.11 N ATOM 737 CA CYS A 51 18.377 21.656 -21.383 1.00 53.12 C ATOM 738 C CYS A 51 18.444 20.130 -21.415 1.00 24.13 C ATOM 739 O CYS A 51 19.246 19.516 -20.700 1.00 22.31 O ATOM 740 CB CYS A 51 17.098 22.116 -20.683 1.00 2.53 C ATOM 741 SG CYS A 51 16.940 23.911 -20.537 1.00 11.35 S ATOM 0 H CYS A 51 17.612 22.727 -23.018 1.00 34.11 H new ATOM 0 HA CYS A 51 19.236 22.025 -20.823 1.00 53.12 H new ATOM 0 HB2 CYS A 51 16.238 21.730 -21.230 1.00 2.53 H new ATOM 0 HB3 CYS A 51 17.064 21.677 -19.686 1.00 2.53 H new ATOM 0 HG CYS A 51 16.776 24.430 -21.718 1.00 11.35 H new ATOM 747 N LEU A 52 17.601 19.523 -22.246 1.00 14.24 N ATOM 748 CA LEU A 52 17.617 18.075 -22.418 1.00 14.11 C ATOM 749 C LEU A 52 18.981 17.608 -22.917 1.00 14.41 C ATOM 750 O LEU A 52 19.563 16.680 -22.365 1.00 13.15 O ATOM 751 CB LEU A 52 16.514 17.625 -23.384 1.00 54.05 C ATOM 752 CG LEU A 52 15.140 17.368 -22.750 1.00 21.41 C ATOM 753 CD1 LEU A 52 14.584 18.628 -22.105 1.00 71.20 C ATOM 754 CD2 LEU A 52 14.172 16.831 -23.795 1.00 63.03 C ATOM 0 H LEU A 52 16.902 20.009 -22.808 1.00 14.24 H new ATOM 0 HA LEU A 52 17.427 17.619 -21.446 1.00 14.11 H new ATOM 0 HB2 LEU A 52 16.401 18.385 -24.157 1.00 54.05 H new ATOM 0 HB3 LEU A 52 16.841 16.712 -23.881 1.00 54.05 H new ATOM 0 HG LEU A 52 15.263 16.621 -21.966 1.00 21.41 H new ATOM 0 HD11 LEU A 52 13.610 18.412 -21.665 1.00 71.20 H new ATOM 0 HD12 LEU A 52 15.266 18.970 -21.326 1.00 71.20 H new ATOM 0 HD13 LEU A 52 14.477 19.406 -22.860 1.00 71.20 H new ATOM 0 HD21 LEU A 52 13.201 16.652 -23.334 1.00 63.03 H new ATOM 0 HD22 LEU A 52 14.064 17.559 -24.599 1.00 63.03 H new ATOM 0 HD23 LEU A 52 14.558 15.896 -24.202 1.00 63.03 H new ATOM 766 N ASP A 53 19.498 18.280 -23.939 1.00 61.53 N ATOM 767 CA ASP A 53 20.806 17.953 -24.501 1.00 54.43 C ATOM 768 C ASP A 53 21.880 17.989 -23.412 1.00 63.52 C ATOM 769 O ASP A 53 22.730 17.101 -23.326 1.00 62.44 O ATOM 770 CB ASP A 53 21.151 18.948 -25.615 1.00 40.30 C ATOM 771 CG ASP A 53 22.481 18.662 -26.280 1.00 11.42 C ATOM 772 OD1 ASP A 53 22.525 17.824 -27.203 1.00 1.13 O ATOM 773 OD2 ASP A 53 23.496 19.288 -25.898 1.00 63.05 O ATOM 0 H ASP A 53 19.029 19.060 -24.399 1.00 61.53 H new ATOM 0 HA ASP A 53 20.771 16.946 -24.916 1.00 54.43 H new ATOM 0 HB2 ASP A 53 20.364 18.927 -26.368 1.00 40.30 H new ATOM 0 HB3 ASP A 53 21.169 19.956 -25.200 1.00 40.30 H new ATOM 778 N TYR A 54 21.802 19.010 -22.568 1.00 62.01 N ATOM 779 CA TYR A 54 22.744 19.198 -21.470 1.00 33.33 C ATOM 780 C TYR A 54 22.694 18.034 -20.481 1.00 54.33 C ATOM 781 O TYR A 54 23.724 17.440 -20.151 1.00 52.04 O ATOM 782 CB TYR A 54 22.432 20.518 -20.750 1.00 21.41 C ATOM 783 CG TYR A 54 23.418 20.886 -19.663 1.00 53.34 C ATOM 784 CD1 TYR A 54 24.692 21.337 -19.983 1.00 31.52 C ATOM 785 CD2 TYR A 54 23.070 20.801 -18.319 1.00 62.33 C ATOM 786 CE1 TYR A 54 25.592 21.691 -18.997 1.00 53.11 C ATOM 787 CE2 TYR A 54 23.966 21.150 -17.327 1.00 32.53 C ATOM 788 CZ TYR A 54 25.224 21.595 -17.672 1.00 2.30 C ATOM 789 OH TYR A 54 26.116 21.953 -16.687 1.00 25.04 O ATOM 0 H TYR A 54 21.084 19.732 -22.625 1.00 62.01 H new ATOM 0 HA TYR A 54 23.751 19.233 -21.885 1.00 33.33 H new ATOM 0 HB2 TYR A 54 22.405 21.321 -21.486 1.00 21.41 H new ATOM 0 HB3 TYR A 54 21.436 20.452 -20.313 1.00 21.41 H new ATOM 0 HD1 TYR A 54 24.984 21.412 -21.020 1.00 31.52 H new ATOM 0 HD2 TYR A 54 22.083 20.457 -18.046 1.00 62.33 H new ATOM 0 HE1 TYR A 54 26.579 22.041 -19.263 1.00 53.11 H new ATOM 0 HE2 TYR A 54 23.682 21.075 -16.288 1.00 32.53 H new ATOM 0 HH TYR A 54 25.701 21.828 -15.808 1.00 25.04 H new ATOM 799 N VAL A 55 21.496 17.699 -20.017 1.00 13.21 N ATOM 800 CA VAL A 55 21.344 16.650 -19.016 1.00 73.54 C ATOM 801 C VAL A 55 21.604 15.261 -19.604 1.00 63.52 C ATOM 802 O VAL A 55 22.165 14.394 -18.930 1.00 1.14 O ATOM 803 CB VAL A 55 19.961 16.684 -18.327 1.00 74.32 C ATOM 804 CG1 VAL A 55 19.755 18.009 -17.609 1.00 11.35 C ATOM 805 CG2 VAL A 55 18.830 16.442 -19.314 1.00 3.21 C ATOM 0 H VAL A 55 20.623 18.134 -20.315 1.00 13.21 H new ATOM 0 HA VAL A 55 22.099 16.852 -18.256 1.00 73.54 H new ATOM 0 HB VAL A 55 19.943 15.875 -17.597 1.00 74.32 H new ATOM 0 HG11 VAL A 55 18.776 18.015 -17.130 1.00 11.35 H new ATOM 0 HG12 VAL A 55 20.530 18.138 -16.853 1.00 11.35 H new ATOM 0 HG13 VAL A 55 19.811 18.826 -18.329 1.00 11.35 H new ATOM 0 HG21 VAL A 55 17.876 16.474 -18.789 1.00 3.21 H new ATOM 0 HG22 VAL A 55 18.847 17.214 -20.083 1.00 3.21 H new ATOM 0 HG23 VAL A 55 18.956 15.464 -19.779 1.00 3.21 H new ATOM 815 N GLU A 56 21.229 15.057 -20.861 1.00 10.40 N ATOM 816 CA GLU A 56 21.427 13.769 -21.514 1.00 61.52 C ATOM 817 C GLU A 56 22.901 13.532 -21.825 1.00 34.54 C ATOM 818 O GLU A 56 23.370 12.395 -21.783 1.00 73.34 O ATOM 819 CB GLU A 56 20.578 13.666 -22.780 1.00 74.35 C ATOM 820 CG GLU A 56 19.086 13.679 -22.487 1.00 71.41 C ATOM 821 CD GLU A 56 18.232 13.462 -23.718 1.00 3.14 C ATOM 822 OE1 GLU A 56 18.128 14.382 -24.553 1.00 13.14 O ATOM 823 OE2 GLU A 56 17.632 12.375 -23.844 1.00 12.33 O ATOM 0 H GLU A 56 20.787 15.765 -21.447 1.00 10.40 H new ATOM 0 HA GLU A 56 21.103 12.990 -20.825 1.00 61.52 H new ATOM 0 HB2 GLU A 56 20.821 14.495 -23.444 1.00 74.35 H new ATOM 0 HB3 GLU A 56 20.832 12.748 -23.310 1.00 74.35 H new ATOM 0 HG2 GLU A 56 18.860 12.904 -21.755 1.00 71.41 H new ATOM 0 HG3 GLU A 56 18.820 14.633 -22.033 1.00 71.41 H new ATOM 830 N LYS A 57 23.637 14.604 -22.117 1.00 70.11 N ATOM 831 CA LYS A 57 25.088 14.506 -22.266 1.00 60.22 C ATOM 832 C LYS A 57 25.727 14.066 -20.956 1.00 10.13 C ATOM 833 O LYS A 57 26.787 13.446 -20.947 1.00 34.22 O ATOM 834 CB LYS A 57 25.699 15.837 -22.703 1.00 64.25 C ATOM 835 CG LYS A 57 25.650 16.077 -24.201 1.00 75.40 C ATOM 836 CD LYS A 57 26.350 17.375 -24.567 1.00 11.15 C ATOM 837 CE LYS A 57 26.545 17.504 -26.066 1.00 5.52 C ATOM 838 NZ LYS A 57 25.259 17.446 -26.805 1.00 33.13 N ATOM 0 H LYS A 57 23.257 15.541 -22.254 1.00 70.11 H new ATOM 0 HA LYS A 57 25.286 13.764 -23.040 1.00 60.22 H new ATOM 0 HB2 LYS A 57 25.175 16.649 -22.198 1.00 64.25 H new ATOM 0 HB3 LYS A 57 26.737 15.874 -22.373 1.00 64.25 H new ATOM 0 HG2 LYS A 57 26.123 15.245 -24.722 1.00 75.40 H new ATOM 0 HG3 LYS A 57 24.613 16.113 -24.534 1.00 75.40 H new ATOM 0 HD2 LYS A 57 25.765 18.219 -24.202 1.00 11.15 H new ATOM 0 HD3 LYS A 57 27.319 17.419 -24.069 1.00 11.15 H new ATOM 0 HE2 LYS A 57 27.046 18.447 -26.286 1.00 5.52 H new ATOM 0 HE3 LYS A 57 27.200 16.706 -26.416 1.00 5.52 H new ATOM 0 HZ1 LYS A 57 25.442 17.215 -27.802 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 24.651 16.714 -26.386 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 24.782 18.368 -26.745 1.00 33.13 H new ATOM 852 N ASN A 58 25.070 14.399 -19.852 1.00 5.40 N ATOM 853 CA ASN A 58 25.543 14.019 -18.523 1.00 62.23 C ATOM 854 C ASN A 58 24.951 12.675 -18.110 1.00 64.30 C ATOM 855 O ASN A 58 24.975 12.311 -16.933 1.00 2.42 O ATOM 856 CB ASN A 58 25.185 15.094 -17.489 1.00 60.13 C ATOM 857 CG ASN A 58 26.072 16.330 -17.575 1.00 21.12 C ATOM 858 OD1 ASN A 58 26.564 16.637 -18.766 1.00 45.43 O flip ATOM 859 ND2 ASN A 58 26.309 17.006 -16.576 1.00 73.12 N flip ATOM 0 H ASN A 58 24.202 14.935 -19.849 1.00 5.40 H new ATOM 0 HA ASN A 58 26.628 13.927 -18.563 1.00 62.23 H new ATOM 0 HB2 ASN A 58 24.145 15.391 -17.628 1.00 60.13 H new ATOM 0 HB3 ASN A 58 25.264 14.667 -16.489 1.00 60.13 H new ATOM 0 HD21 ASN A 58 25.913 16.740 -15.674 1.00 73.12 H new ATOM 0 HD22 ASN A 58 26.902 17.833 -16.649 1.00 73.12 H new ATOM 866 N TRP A 59 24.395 11.961 -19.090 1.00 74.44 N ATOM 867 CA TRP A 59 23.857 10.614 -18.891 1.00 50.11 C ATOM 868 C TRP A 59 22.704 10.608 -17.896 1.00 20.21 C ATOM 869 O TRP A 59 22.465 9.610 -17.218 1.00 31.04 O ATOM 870 CB TRP A 59 24.957 9.655 -18.421 1.00 2.31 C ATOM 871 CG TRP A 59 26.072 9.491 -19.410 1.00 72.22 C ATOM 872 CD1 TRP A 59 26.034 8.782 -20.577 1.00 32.41 C ATOM 873 CD2 TRP A 59 27.393 10.038 -19.315 1.00 42.01 C ATOM 874 NE1 TRP A 59 27.250 8.857 -21.211 1.00 45.01 N ATOM 875 CE2 TRP A 59 28.099 9.624 -20.459 1.00 71.53 C ATOM 876 CE3 TRP A 59 28.046 10.838 -18.374 1.00 43.25 C ATOM 877 CZ2 TRP A 59 29.424 9.983 -20.687 1.00 24.34 C ATOM 878 CZ3 TRP A 59 29.362 11.195 -18.601 1.00 73.44 C ATOM 879 CH2 TRP A 59 30.039 10.769 -19.751 1.00 44.54 C ATOM 0 H TRP A 59 24.305 12.302 -20.047 1.00 74.44 H new ATOM 0 HA TRP A 59 23.474 10.275 -19.853 1.00 50.11 H new ATOM 0 HB2 TRP A 59 25.368 10.020 -17.480 1.00 2.31 H new ATOM 0 HB3 TRP A 59 24.515 8.679 -18.219 1.00 2.31 H new ATOM 0 HD1 TRP A 59 25.175 8.242 -20.947 1.00 32.41 H new ATOM 0 HE1 TRP A 59 27.483 8.413 -22.099 1.00 45.01 H new ATOM 0 HE3 TRP A 59 27.532 11.172 -17.485 1.00 43.25 H new ATOM 0 HZ2 TRP A 59 29.948 9.653 -21.572 1.00 24.34 H new ATOM 0 HZ3 TRP A 59 29.877 11.813 -17.880 1.00 73.44 H new ATOM 0 HH2 TRP A 59 31.066 11.067 -19.902 1.00 44.54 H new ATOM 890 N THR A 60 21.976 11.710 -17.821 1.00 25.34 N ATOM 891 CA THR A 60 20.861 11.806 -16.899 1.00 53.12 C ATOM 892 C THR A 60 19.555 11.444 -17.592 1.00 52.32 C ATOM 893 O THR A 60 18.942 12.288 -18.243 1.00 3.14 O ATOM 894 CB THR A 60 20.747 13.214 -16.301 1.00 72.14 C ATOM 895 OG1 THR A 60 22.020 13.625 -15.787 1.00 12.01 O ATOM 896 CG2 THR A 60 19.717 13.242 -15.186 1.00 24.55 C ATOM 0 H THR A 60 22.137 12.545 -18.384 1.00 25.34 H new ATOM 0 HA THR A 60 21.049 11.099 -16.091 1.00 53.12 H new ATOM 0 HB THR A 60 20.429 13.899 -17.087 1.00 72.14 H new ATOM 0 HG1 THR A 60 22.481 12.852 -15.399 1.00 12.01 H new ATOM 0 HG21 THR A 60 19.652 14.250 -14.776 1.00 24.55 H new ATOM 0 HG22 THR A 60 18.745 12.948 -15.581 1.00 24.55 H new ATOM 0 HG23 THR A 60 20.014 12.548 -14.399 1.00 24.55 H new ATOM 904 N ASP A 61 19.164 10.176 -17.460 1.00 33.13 N ATOM 905 CA ASP A 61 17.920 9.663 -18.038 1.00 24.12 C ATOM 906 C ASP A 61 17.850 9.982 -19.531 1.00 25.15 C ATOM 907 O ASP A 61 16.815 10.403 -20.047 1.00 35.34 O ATOM 908 CB ASP A 61 16.710 10.248 -17.293 1.00 2.25 C ATOM 909 CG ASP A 61 15.459 9.399 -17.439 1.00 11.43 C ATOM 910 OD1 ASP A 61 15.263 8.475 -16.618 1.00 4.15 O ATOM 911 OD2 ASP A 61 14.656 9.655 -18.357 1.00 12.31 O ATOM 0 H ASP A 61 19.701 9.475 -16.949 1.00 33.13 H new ATOM 0 HA ASP A 61 17.901 8.579 -17.926 1.00 24.12 H new ATOM 0 HB2 ASP A 61 16.954 10.347 -16.235 1.00 2.25 H new ATOM 0 HB3 ASP A 61 16.508 11.251 -17.669 1.00 2.25 H new ATOM 916 N LEU A 62 18.966 9.769 -20.221 1.00 21.55 N ATOM 917 CA LEU A 62 19.057 10.062 -21.646 1.00 3.00 C ATOM 918 C LEU A 62 18.106 9.173 -22.444 1.00 51.34 C ATOM 919 O LEU A 62 18.045 7.957 -22.237 1.00 51.51 O ATOM 920 CB LEU A 62 20.501 9.908 -22.162 1.00 71.54 C ATOM 921 CG LEU A 62 21.094 8.490 -22.142 1.00 32.22 C ATOM 922 CD1 LEU A 62 22.352 8.436 -22.996 1.00 31.24 C ATOM 923 CD2 LEU A 62 21.412 8.042 -20.720 1.00 22.21 C ATOM 0 H LEU A 62 19.822 9.393 -19.814 1.00 21.55 H new ATOM 0 HA LEU A 62 18.761 11.101 -21.787 1.00 3.00 H new ATOM 0 HB2 LEU A 62 20.537 10.277 -23.187 1.00 71.54 H new ATOM 0 HB3 LEU A 62 21.146 10.555 -21.567 1.00 71.54 H new ATOM 0 HG LEU A 62 20.349 7.809 -22.553 1.00 32.22 H new ATOM 0 HD11 LEU A 62 22.763 7.427 -22.974 1.00 31.24 H new ATOM 0 HD12 LEU A 62 22.106 8.706 -24.023 1.00 31.24 H new ATOM 0 HD13 LEU A 62 23.089 9.137 -22.603 1.00 31.24 H new ATOM 0 HD21 LEU A 62 21.830 7.035 -20.740 1.00 22.21 H new ATOM 0 HD22 LEU A 62 22.135 8.726 -20.276 1.00 22.21 H new ATOM 0 HD23 LEU A 62 20.499 8.044 -20.125 1.00 22.21 H new ATOM 935 N ARG A 63 17.358 9.786 -23.346 1.00 42.45 N ATOM 936 CA ARG A 63 16.352 9.077 -24.115 1.00 32.00 C ATOM 937 C ARG A 63 16.639 9.185 -25.603 1.00 0.32 C ATOM 938 O ARG A 63 16.588 10.275 -26.180 1.00 73.24 O ATOM 939 CB ARG A 63 14.961 9.638 -23.814 1.00 41.05 C ATOM 940 CG ARG A 63 14.574 9.535 -22.351 1.00 42.42 C ATOM 941 CD ARG A 63 14.527 8.091 -21.894 1.00 14.22 C ATOM 942 NE ARG A 63 14.330 7.979 -20.456 1.00 25.55 N ATOM 943 CZ ARG A 63 13.789 6.921 -19.866 1.00 25.12 C ATOM 944 NH1 ARG A 63 13.282 5.933 -20.598 1.00 1.23 N ATOM 945 NH2 ARG A 63 13.730 6.861 -18.543 1.00 53.21 N ATOM 0 H ARG A 63 17.430 10.780 -23.564 1.00 42.45 H new ATOM 0 HA ARG A 63 16.383 8.026 -23.828 1.00 32.00 H new ATOM 0 HB2 ARG A 63 14.925 10.684 -24.119 1.00 41.05 H new ATOM 0 HB3 ARG A 63 14.224 9.105 -24.415 1.00 41.05 H new ATOM 0 HG2 ARG A 63 15.290 10.088 -21.743 1.00 42.42 H new ATOM 0 HG3 ARG A 63 13.600 9.999 -22.197 1.00 42.42 H new ATOM 0 HD2 ARG A 63 13.720 7.573 -22.412 1.00 14.22 H new ATOM 0 HD3 ARG A 63 15.455 7.592 -22.172 1.00 14.22 H new ATOM 0 HE ARG A 63 14.625 8.759 -19.868 1.00 25.55 H new ATOM 0 HH11 ARG A 63 13.308 5.987 -21.616 1.00 1.23 H new ATOM 0 HH12 ARG A 63 12.867 5.121 -20.141 1.00 1.23 H new ATOM 0 HH21 ARG A 63 14.100 7.627 -17.981 1.00 53.21 H new ATOM 0 HH22 ARG A 63 13.314 6.049 -18.087 1.00 53.21 H new ATOM 959 N PRO A 64 16.958 8.053 -26.244 1.00 42.03 N ATOM 960 CA PRO A 64 17.180 8.011 -27.684 1.00 50.30 C ATOM 961 C PRO A 64 15.893 8.259 -28.468 1.00 15.45 C ATOM 962 O PRO A 64 15.178 7.326 -28.837 1.00 33.12 O ATOM 963 CB PRO A 64 17.721 6.600 -27.934 1.00 33.03 C ATOM 964 CG PRO A 64 17.252 5.792 -26.773 1.00 44.51 C ATOM 965 CD PRO A 64 17.143 6.737 -25.609 1.00 5.45 C ATOM 0 HA PRO A 64 17.865 8.791 -28.017 1.00 50.30 H new ATOM 0 HB2 PRO A 64 17.345 6.195 -28.874 1.00 33.03 H new ATOM 0 HB3 PRO A 64 18.809 6.601 -28.000 1.00 33.03 H new ATOM 0 HG2 PRO A 64 16.289 5.328 -26.987 1.00 44.51 H new ATOM 0 HG3 PRO A 64 17.952 4.986 -26.554 1.00 44.51 H new ATOM 0 HD2 PRO A 64 16.302 6.482 -24.964 1.00 5.45 H new ATOM 0 HD3 PRO A 64 18.039 6.714 -24.989 1.00 5.45 H new ATOM 973 N LYS A 65 15.594 9.532 -28.678 1.00 63.55 N ATOM 974 CA LYS A 65 14.402 9.943 -29.410 1.00 13.53 C ATOM 975 C LYS A 65 14.729 10.192 -30.877 1.00 63.33 C ATOM 976 O LYS A 65 13.843 10.447 -31.692 1.00 73.10 O ATOM 977 CB LYS A 65 13.799 11.195 -28.764 1.00 62.35 C ATOM 978 CG LYS A 65 14.842 12.202 -28.304 1.00 44.04 C ATOM 979 CD LYS A 65 14.203 13.380 -27.591 1.00 24.10 C ATOM 980 CE LYS A 65 15.241 14.242 -26.893 1.00 53.25 C ATOM 981 NZ LYS A 65 15.947 13.496 -25.816 1.00 31.21 N ATOM 0 H LYS A 65 16.168 10.308 -28.348 1.00 63.55 H new ATOM 0 HA LYS A 65 13.667 9.139 -29.365 1.00 13.53 H new ATOM 0 HB2 LYS A 65 13.130 11.676 -29.478 1.00 62.35 H new ATOM 0 HB3 LYS A 65 13.192 10.897 -27.909 1.00 62.35 H new ATOM 0 HG2 LYS A 65 15.552 11.713 -27.637 1.00 44.04 H new ATOM 0 HG3 LYS A 65 15.408 12.560 -29.164 1.00 44.04 H new ATOM 0 HD2 LYS A 65 13.651 13.985 -28.310 1.00 24.10 H new ATOM 0 HD3 LYS A 65 13.481 13.016 -26.860 1.00 24.10 H new ATOM 0 HE2 LYS A 65 15.967 14.599 -27.623 1.00 53.25 H new ATOM 0 HE3 LYS A 65 14.757 15.121 -26.468 1.00 53.25 H new ATOM 0 HZ1 LYS A 65 16.521 14.157 -25.255 1.00 31.21 H new ATOM 0 HZ2 LYS A 65 15.249 13.034 -25.199 1.00 31.21 H new ATOM 0 HZ3 LYS A 65 16.565 12.775 -26.241 1.00 31.21 H new ATOM 995 N SER A 66 16.009 10.110 -31.200 1.00 23.25 N ATOM 996 CA SER A 66 16.474 10.265 -32.564 1.00 12.53 C ATOM 997 C SER A 66 17.914 9.778 -32.653 1.00 33.45 C ATOM 998 O SER A 66 18.613 9.713 -31.638 1.00 53.54 O ATOM 999 CB SER A 66 16.374 11.730 -33.015 1.00 3.34 C ATOM 1000 OG SER A 66 16.731 11.873 -34.380 1.00 43.50 O ATOM 0 H SER A 66 16.752 9.934 -30.524 1.00 23.25 H new ATOM 0 HA SER A 66 15.844 9.672 -33.227 1.00 12.53 H new ATOM 0 HB2 SER A 66 15.357 12.091 -32.863 1.00 3.34 H new ATOM 0 HB3 SER A 66 17.027 12.348 -32.399 1.00 3.34 H new ATOM 0 HG SER A 66 16.506 12.777 -34.684 1.00 43.50 H new ATOM 1006 N LEU A 67 18.341 9.417 -33.854 1.00 44.51 N ATOM 1007 CA LEU A 67 19.708 8.978 -34.083 1.00 12.45 C ATOM 1008 C LEU A 67 20.429 10.019 -34.931 1.00 63.32 C ATOM 1009 O LEU A 67 21.566 10.397 -34.644 1.00 55.43 O ATOM 1010 CB LEU A 67 19.709 7.598 -34.770 1.00 61.34 C ATOM 1011 CG LEU A 67 21.037 6.818 -34.736 1.00 40.13 C ATOM 1012 CD1 LEU A 67 22.050 7.391 -35.720 1.00 43.43 C ATOM 1013 CD2 LEU A 67 21.611 6.805 -33.325 1.00 40.31 C ATOM 0 H LEU A 67 17.756 9.420 -34.689 1.00 44.51 H new ATOM 0 HA LEU A 67 20.233 8.877 -33.133 1.00 12.45 H new ATOM 0 HB2 LEU A 67 18.939 6.983 -34.303 1.00 61.34 H new ATOM 0 HB3 LEU A 67 19.419 7.735 -35.812 1.00 61.34 H new ATOM 0 HG LEU A 67 20.826 5.792 -35.039 1.00 40.13 H new ATOM 0 HD11 LEU A 67 22.974 6.815 -35.668 1.00 43.43 H new ATOM 0 HD12 LEU A 67 21.646 7.337 -36.731 1.00 43.43 H new ATOM 0 HD13 LEU A 67 22.256 8.431 -35.466 1.00 43.43 H new ATOM 0 HD21 LEU A 67 22.549 6.250 -33.319 1.00 40.31 H new ATOM 0 HD22 LEU A 67 21.793 7.828 -32.997 1.00 40.31 H new ATOM 0 HD23 LEU A 67 20.902 6.327 -32.648 1.00 40.31 H new ATOM 1025 N ARG A 68 19.749 10.502 -35.961 1.00 14.23 N ATOM 1026 CA ARG A 68 20.319 11.504 -36.843 1.00 22.22 C ATOM 1027 C ARG A 68 19.392 12.708 -36.939 1.00 73.40 C ATOM 1028 O ARG A 68 18.443 12.711 -37.724 1.00 12.31 O ATOM 1029 CB ARG A 68 20.569 10.919 -38.237 1.00 54.24 C ATOM 1030 CG ARG A 68 21.379 11.832 -39.146 1.00 45.11 C ATOM 1031 CD ARG A 68 21.554 11.235 -40.534 1.00 35.31 C ATOM 1032 NE ARG A 68 20.299 11.200 -41.284 1.00 31.44 N ATOM 1033 CZ ARG A 68 20.130 10.539 -42.427 1.00 50.02 C ATOM 1034 NH1 ARG A 68 21.112 9.808 -42.941 1.00 73.03 N ATOM 1035 NH2 ARG A 68 18.967 10.606 -43.055 1.00 42.20 N ATOM 0 H ARG A 68 18.801 10.214 -36.205 1.00 14.23 H new ATOM 0 HA ARG A 68 21.274 11.825 -36.427 1.00 22.22 H new ATOM 0 HB2 ARG A 68 21.091 9.967 -38.134 1.00 54.24 H new ATOM 0 HB3 ARG A 68 19.610 10.707 -38.710 1.00 54.24 H new ATOM 0 HG2 ARG A 68 20.882 12.799 -39.226 1.00 45.11 H new ATOM 0 HG3 ARG A 68 22.358 12.012 -38.702 1.00 45.11 H new ATOM 0 HD2 ARG A 68 22.290 11.818 -41.088 1.00 35.31 H new ATOM 0 HD3 ARG A 68 21.950 10.223 -40.445 1.00 35.31 H new ATOM 0 HE ARG A 68 19.503 11.715 -40.907 1.00 31.44 H new ATOM 0 HH11 ARG A 68 22.009 9.748 -42.459 1.00 73.03 H new ATOM 0 HH12 ARG A 68 20.969 9.306 -43.818 1.00 73.03 H new ATOM 0 HH21 ARG A 68 18.207 11.162 -42.663 1.00 42.20 H new ATOM 0 HH22 ARG A 68 18.831 10.102 -43.931 1.00 42.20 H new ATOM 1049 N ASP A 69 19.651 13.714 -36.116 1.00 43.42 N ATOM 1050 CA ASP A 69 18.874 14.947 -36.150 1.00 35.03 C ATOM 1051 C ASP A 69 19.724 16.063 -36.735 1.00 44.35 C ATOM 1052 O ASP A 69 20.942 16.082 -36.549 1.00 24.24 O ATOM 1053 CB ASP A 69 18.394 15.326 -34.746 1.00 15.24 C ATOM 1054 CG ASP A 69 17.492 16.547 -34.752 1.00 5.01 C ATOM 1055 OD1 ASP A 69 16.371 16.464 -35.296 1.00 2.22 O ATOM 1056 OD2 ASP A 69 17.899 17.595 -34.213 1.00 51.34 O ATOM 0 H ASP A 69 20.393 13.702 -35.416 1.00 43.42 H new ATOM 0 HA ASP A 69 17.995 14.794 -36.776 1.00 35.03 H new ATOM 0 HB2 ASP A 69 17.858 14.484 -34.309 1.00 15.24 H new ATOM 0 HB3 ASP A 69 19.258 15.519 -34.110 1.00 15.24 H new ATOM 1061 N ALA A 70 19.090 16.983 -37.440 1.00 31.34 N ATOM 1062 CA ALA A 70 19.818 18.007 -38.168 1.00 34.42 C ATOM 1063 C ALA A 70 20.286 19.134 -37.258 1.00 3.43 C ATOM 1064 O ALA A 70 19.546 20.076 -36.985 1.00 31.54 O ATOM 1065 CB ALA A 70 18.968 18.562 -39.296 1.00 74.14 C ATOM 0 H ALA A 70 18.075 17.042 -37.524 1.00 31.34 H new ATOM 0 HA ALA A 70 20.706 17.535 -38.587 1.00 34.42 H new ATOM 0 HB1 ALA A 70 19.529 19.328 -39.831 1.00 74.14 H new ATOM 0 HB2 ALA A 70 18.706 17.758 -39.983 1.00 74.14 H new ATOM 0 HB3 ALA A 70 18.058 18.999 -38.885 1.00 74.14 H new ATOM 1071 N MET A 71 21.504 19.011 -36.760 1.00 45.13 N ATOM 1072 CA MET A 71 22.162 20.113 -36.071 1.00 4.24 C ATOM 1073 C MET A 71 23.217 20.705 -36.992 1.00 23.21 C ATOM 1074 O MET A 71 24.419 20.626 -36.730 1.00 22.34 O ATOM 1075 CB MET A 71 22.791 19.656 -34.751 1.00 35.40 C ATOM 1076 CG MET A 71 21.773 19.239 -33.702 1.00 23.12 C ATOM 1077 SD MET A 71 22.531 18.785 -32.129 1.00 51.33 S ATOM 1078 CE MET A 71 21.075 18.446 -31.140 1.00 40.34 C ATOM 0 H MET A 71 22.060 18.158 -36.819 1.00 45.13 H new ATOM 0 HA MET A 71 21.419 20.871 -35.824 1.00 4.24 H new ATOM 0 HB2 MET A 71 23.460 18.819 -34.948 1.00 35.40 H new ATOM 0 HB3 MET A 71 23.402 20.465 -34.350 1.00 35.40 H new ATOM 0 HG2 MET A 71 21.071 20.057 -33.539 1.00 23.12 H new ATOM 0 HG3 MET A 71 21.196 18.394 -34.079 1.00 23.12 H new ATOM 0 HE1 MET A 71 21.378 18.151 -30.135 1.00 40.34 H new ATOM 0 HE2 MET A 71 20.456 19.342 -31.084 1.00 40.34 H new ATOM 0 HE3 MET A 71 20.504 17.639 -31.598 1.00 40.34 H new ATOM 1088 N VAL A 72 22.747 21.280 -38.091 1.00 63.22 N ATOM 1089 CA VAL A 72 23.625 21.764 -39.143 1.00 20.35 C ATOM 1090 C VAL A 72 23.932 23.246 -38.935 1.00 74.04 C ATOM 1091 O VAL A 72 24.759 23.827 -39.642 1.00 55.44 O ATOM 1092 CB VAL A 72 22.999 21.529 -40.542 1.00 25.34 C ATOM 1093 CG1 VAL A 72 21.814 22.455 -40.781 1.00 15.15 C ATOM 1094 CG2 VAL A 72 24.043 21.679 -41.644 1.00 1.10 C ATOM 0 H VAL A 72 21.754 21.422 -38.276 1.00 63.22 H new ATOM 0 HA VAL A 72 24.558 21.203 -39.094 1.00 20.35 H new ATOM 0 HB VAL A 72 22.629 20.504 -40.569 1.00 25.34 H new ATOM 0 HG11 VAL A 72 21.398 22.265 -41.770 1.00 15.15 H new ATOM 0 HG12 VAL A 72 21.051 22.272 -40.025 1.00 15.15 H new ATOM 0 HG13 VAL A 72 22.144 23.492 -40.719 1.00 15.15 H new ATOM 0 HG21 VAL A 72 23.575 21.509 -42.614 1.00 1.10 H new ATOM 0 HG22 VAL A 72 24.461 22.685 -41.614 1.00 1.10 H new ATOM 0 HG23 VAL A 72 24.839 20.950 -41.492 1.00 1.10 H new ATOM 1104 N GLU A 73 23.248 23.842 -37.955 1.00 42.10 N ATOM 1105 CA GLU A 73 23.480 25.231 -37.550 1.00 31.53 C ATOM 1106 C GLU A 73 23.053 26.211 -38.641 1.00 63.01 C ATOM 1107 O GLU A 73 23.493 27.359 -38.656 1.00 71.10 O ATOM 1108 CB GLU A 73 24.952 25.445 -37.183 1.00 14.44 C ATOM 1109 CG GLU A 73 25.448 24.511 -36.087 1.00 61.51 C ATOM 1110 CD GLU A 73 24.692 24.684 -34.784 1.00 54.52 C ATOM 1111 OE1 GLU A 73 23.667 23.998 -34.584 1.00 71.22 O ATOM 1112 OE2 GLU A 73 25.124 25.506 -33.952 1.00 45.14 O ATOM 0 H GLU A 73 22.517 23.374 -37.419 1.00 42.10 H new ATOM 0 HA GLU A 73 22.867 25.426 -36.670 1.00 31.53 H new ATOM 0 HB2 GLU A 73 25.564 25.304 -38.074 1.00 14.44 H new ATOM 0 HB3 GLU A 73 25.091 26.477 -36.860 1.00 14.44 H new ATOM 0 HG2 GLU A 73 25.352 23.479 -36.424 1.00 61.51 H new ATOM 0 HG3 GLU A 73 26.509 24.692 -35.914 1.00 61.51 H new ATOM 1119 N ASP A 74 22.175 25.741 -39.531 1.00 54.20 N ATOM 1120 CA ASP A 74 21.605 26.555 -40.615 1.00 62.35 C ATOM 1121 C ASP A 74 22.678 27.059 -41.575 1.00 53.00 C ATOM 1122 O ASP A 74 23.325 28.081 -41.278 1.00 23.45 O ATOM 1123 CB ASP A 74 20.807 27.738 -40.062 1.00 30.50 C ATOM 1124 CG ASP A 74 20.074 28.489 -41.156 1.00 30.14 C ATOM 1125 OD1 ASP A 74 19.146 27.908 -41.759 1.00 50.44 O ATOM 1126 OD2 ASP A 74 20.410 29.664 -41.410 1.00 23.10 O ATOM 1127 OXT ASP A 74 22.863 26.428 -42.635 1.00 0.00 O ATOM 0 H ASP A 74 21.836 24.779 -39.522 1.00 54.20 H new ATOM 0 HA ASP A 74 20.930 25.904 -41.171 1.00 62.35 H new ATOM 0 HB2 ASP A 74 20.089 27.378 -39.325 1.00 30.50 H new ATOM 0 HB3 ASP A 74 21.481 28.420 -39.543 1.00 30.50 H new TER 1132 ASP A 74