USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 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 41 GLN : amide:sc= -3.44 K(o=-6.7,f=-2.6) USER MOD Set 1.2: A 46 ASN : amide:sc= -3.26! K(o=-6.7!,f=-3.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.0626 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.56 K(o=-0.56,f=-5.5!) USER MOD Single : A 15 SER OG : rot -82:sc= 0.0785 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 110:sc= -0.408 USER MOD Single : A 62 THR OG1 : rot 170:sc= 0.62 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -106:sc= 0.0977 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 118:sc= 0.867 USER MOD Single : A 77 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0321) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0.69 (180deg=0.652) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= -0.0648 (180deg=-0.362) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 70:sc= -1.56! USER MOD Single : A 91 SER OG : rot 180:sc= -1.89 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.689 K(o=-0.69,f=-2.6!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 115.866 3.091 -14.965 1.00 0.00 N ATOM 2 CA GLY A 1 115.463 4.481 -15.313 1.00 0.00 C ATOM 3 C GLY A 1 114.748 5.178 -14.173 1.00 0.00 C ATOM 4 O GLY A 1 115.178 6.239 -13.718 1.00 0.00 O ATOM 0 H1 GLY A 1 116.351 2.657 -15.776 1.00 0.00 H new ATOM 0 H2 GLY A 1 116.508 3.110 -14.147 1.00 0.00 H new ATOM 0 H3 GLY A 1 115.021 2.533 -14.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 116.348 5.055 -15.588 1.00 0.00 H new ATOM 0 HA3 GLY A 1 114.812 4.460 -16.187 1.00 0.00 H new ATOM 10 N SER A 2 113.654 4.584 -13.710 1.00 0.00 N ATOM 11 CA SER A 2 112.877 5.154 -12.617 1.00 0.00 C ATOM 12 C SER A 2 113.073 4.352 -11.334 1.00 0.00 C ATOM 13 O SER A 2 112.499 3.275 -11.170 1.00 0.00 O ATOM 14 CB SER A 2 111.393 5.196 -12.984 1.00 0.00 C ATOM 15 OG SER A 2 110.991 3.994 -13.621 1.00 0.00 O ATOM 0 H SER A 2 113.285 3.706 -14.076 1.00 0.00 H new ATOM 0 HA SER A 2 113.230 6.171 -12.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 110.797 5.352 -12.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 111.202 6.042 -13.644 1.00 0.00 H new ATOM 0 HG SER A 2 111.295 3.226 -13.093 1.00 0.00 H new ATOM 21 N SER A 3 113.885 4.885 -10.428 1.00 0.00 N ATOM 22 CA SER A 3 114.158 4.219 -9.160 1.00 0.00 C ATOM 23 C SER A 3 114.271 5.234 -8.026 1.00 0.00 C ATOM 24 O SER A 3 115.013 5.026 -7.066 1.00 0.00 O ATOM 25 CB SER A 3 115.444 3.398 -9.257 1.00 0.00 C ATOM 26 OG SER A 3 116.585 4.238 -9.267 1.00 0.00 O ATOM 0 H SER A 3 114.366 5.777 -10.548 1.00 0.00 H new ATOM 0 HA SER A 3 113.325 3.550 -8.943 1.00 0.00 H new ATOM 0 HB2 SER A 3 115.503 2.708 -8.415 1.00 0.00 H new ATOM 0 HB3 SER A 3 115.426 2.793 -10.164 1.00 0.00 H new ATOM 0 HG SER A 3 117.395 3.689 -9.328 1.00 0.00 H new ATOM 32 N GLY A 4 113.532 6.331 -8.144 1.00 0.00 N ATOM 33 CA GLY A 4 113.564 7.361 -7.124 1.00 0.00 C ATOM 34 C GLY A 4 114.925 8.018 -7.006 1.00 0.00 C ATOM 35 O GLY A 4 115.618 8.209 -8.005 1.00 0.00 O ATOM 0 H GLY A 4 112.911 6.525 -8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 112.816 8.120 -7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 4 113.290 6.925 -6.163 1.00 0.00 H new ATOM 39 N SER A 5 115.308 8.367 -5.781 1.00 0.00 N ATOM 40 CA SER A 5 116.595 9.007 -5.536 1.00 0.00 C ATOM 41 C SER A 5 117.744 8.053 -5.842 1.00 0.00 C ATOM 42 O SER A 5 117.532 6.947 -6.339 1.00 0.00 O ATOM 43 CB SER A 5 116.683 9.483 -4.086 1.00 0.00 C ATOM 44 OG SER A 5 116.895 8.395 -3.204 1.00 0.00 O ATOM 0 H SER A 5 114.745 8.217 -4.944 1.00 0.00 H new ATOM 0 HA SER A 5 116.677 9.868 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 5 117.497 10.201 -3.985 1.00 0.00 H new ATOM 0 HB3 SER A 5 115.764 10.002 -3.814 1.00 0.00 H new ATOM 0 HG SER A 5 116.949 8.726 -2.283 1.00 0.00 H new ATOM 50 N SER A 6 118.964 8.488 -5.541 1.00 0.00 N ATOM 51 CA SER A 6 120.148 7.672 -5.783 1.00 0.00 C ATOM 52 C SER A 6 121.050 7.644 -4.553 1.00 0.00 C ATOM 53 O SER A 6 120.819 8.368 -3.585 1.00 0.00 O ATOM 54 CB SER A 6 120.925 8.209 -6.987 1.00 0.00 C ATOM 55 OG SER A 6 120.330 7.794 -8.204 1.00 0.00 O ATOM 0 H SER A 6 119.158 9.401 -5.129 1.00 0.00 H new ATOM 0 HA SER A 6 119.821 6.654 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 6 120.957 9.298 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 6 121.956 7.858 -6.944 1.00 0.00 H new ATOM 0 HG SER A 6 120.844 8.151 -8.958 1.00 0.00 H new ATOM 61 N GLY A 7 122.078 6.802 -4.599 1.00 0.00 N ATOM 62 CA GLY A 7 122.998 6.694 -3.483 1.00 0.00 C ATOM 63 C GLY A 7 124.358 7.292 -3.792 1.00 0.00 C ATOM 64 O GLY A 7 125.374 6.600 -3.734 1.00 0.00 O ATOM 0 H GLY A 7 122.290 6.193 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 7 122.572 7.197 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 7 123.118 5.644 -3.216 1.00 0.00 H new ATOM 68 N LEU A 8 124.375 8.579 -4.121 1.00 0.00 N ATOM 69 CA LEU A 8 125.618 9.269 -4.441 1.00 0.00 C ATOM 70 C LEU A 8 126.203 9.939 -3.201 1.00 0.00 C ATOM 71 O LEU A 8 125.836 11.063 -2.860 1.00 0.00 O ATOM 72 CB LEU A 8 125.382 10.312 -5.534 1.00 0.00 C ATOM 73 CG LEU A 8 125.496 9.786 -6.966 1.00 0.00 C ATOM 74 CD1 LEU A 8 124.571 10.560 -7.895 1.00 0.00 C ATOM 75 CD2 LEU A 8 126.936 9.874 -7.451 1.00 0.00 C ATOM 0 H LEU A 8 123.542 9.165 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 8 126.331 8.529 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 8 124.389 10.740 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 8 126.099 11.122 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 8 125.192 8.739 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 8 124.666 10.172 -8.909 1.00 0.00 H new ATOM 0 HD12 LEU A 8 123.540 10.448 -7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 8 124.844 11.615 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 8 127.000 9.496 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 8 127.265 10.913 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 8 127.576 9.276 -6.802 1.00 0.00 H new ATOM 87 N ALA A 9 127.114 9.241 -2.531 1.00 0.00 N ATOM 88 CA ALA A 9 127.749 9.768 -1.330 1.00 0.00 C ATOM 89 C ALA A 9 129.268 9.670 -1.424 1.00 0.00 C ATOM 90 O ALA A 9 129.869 8.705 -0.951 1.00 0.00 O ATOM 91 CB ALA A 9 127.246 9.027 -0.100 1.00 0.00 C ATOM 0 H ALA A 9 127.429 8.309 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 9 127.484 10.822 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 9 127.728 9.430 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 9 126.166 9.152 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 9 127.482 7.967 -0.192 1.00 0.00 H new ATOM 97 N MET A 10 129.884 10.676 -2.036 1.00 0.00 N ATOM 98 CA MET A 10 131.333 10.704 -2.192 1.00 0.00 C ATOM 99 C MET A 10 131.803 12.075 -2.673 1.00 0.00 C ATOM 100 O MET A 10 132.290 12.217 -3.796 1.00 0.00 O ATOM 101 CB MET A 10 131.781 9.621 -3.177 1.00 0.00 C ATOM 102 CG MET A 10 131.011 9.633 -4.487 1.00 0.00 C ATOM 103 SD MET A 10 132.039 9.194 -5.902 1.00 0.00 S ATOM 104 CE MET A 10 131.756 10.599 -6.975 1.00 0.00 C ATOM 0 H MET A 10 129.402 11.483 -2.432 1.00 0.00 H new ATOM 0 HA MET A 10 131.783 10.508 -1.219 1.00 0.00 H new ATOM 0 HB2 MET A 10 132.842 9.750 -3.388 1.00 0.00 H new ATOM 0 HB3 MET A 10 131.666 8.644 -2.707 1.00 0.00 H new ATOM 0 HG2 MET A 10 130.176 8.936 -4.419 1.00 0.00 H new ATOM 0 HG3 MET A 10 130.586 10.624 -4.645 1.00 0.00 H new ATOM 0 HE1 MET A 10 132.326 10.474 -7.896 1.00 0.00 H new ATOM 0 HE2 MET A 10 130.694 10.668 -7.212 1.00 0.00 H new ATOM 0 HE3 MET A 10 132.075 11.512 -6.471 1.00 0.00 H new ATOM 114 N PRO A 11 131.663 13.108 -1.824 1.00 0.00 N ATOM 115 CA PRO A 11 132.074 14.473 -2.167 1.00 0.00 C ATOM 116 C PRO A 11 133.551 14.563 -2.551 1.00 0.00 C ATOM 117 O PRO A 11 133.898 15.181 -3.558 1.00 0.00 O ATOM 118 CB PRO A 11 131.805 15.271 -0.886 1.00 0.00 C ATOM 119 CG PRO A 11 130.807 14.463 -0.129 1.00 0.00 C ATOM 120 CD PRO A 11 131.093 13.028 -0.468 1.00 0.00 C ATOM 0 HA PRO A 11 131.532 14.846 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 11 132.719 15.410 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 11 131.417 16.264 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 11 130.898 14.636 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 11 129.790 14.735 -0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 11 131.793 12.580 0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 11 130.188 12.421 -0.447 1.00 0.00 H new ATOM 128 N PRO A 12 134.450 13.949 -1.756 1.00 0.00 N ATOM 129 CA PRO A 12 135.886 13.974 -2.032 1.00 0.00 C ATOM 130 C PRO A 12 136.292 12.960 -3.095 1.00 0.00 C ATOM 131 O PRO A 12 137.238 13.182 -3.852 1.00 0.00 O ATOM 132 CB PRO A 12 136.500 13.610 -0.682 1.00 0.00 C ATOM 133 CG PRO A 12 135.490 12.722 -0.040 1.00 0.00 C ATOM 134 CD PRO A 12 134.140 13.185 -0.528 1.00 0.00 C ATOM 0 HA PRO A 12 136.214 14.937 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 12 137.456 13.100 -0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 12 136.688 14.498 -0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 12 135.663 11.680 -0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 12 135.552 12.786 1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 12 133.480 12.343 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 12 133.638 13.807 0.214 1.00 0.00 H new ATOM 142 N GLY A 13 135.571 11.845 -3.148 1.00 0.00 N ATOM 143 CA GLY A 13 135.870 10.813 -4.124 1.00 0.00 C ATOM 144 C GLY A 13 135.828 9.420 -3.526 1.00 0.00 C ATOM 145 O GLY A 13 135.130 9.182 -2.540 1.00 0.00 O ATOM 0 H GLY A 13 134.785 11.637 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 13 135.155 10.875 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 13 136.858 10.993 -4.548 1.00 0.00 H new ATOM 149 N ASN A 14 136.576 8.499 -4.124 1.00 0.00 N ATOM 150 CA ASN A 14 136.621 7.122 -3.645 1.00 0.00 C ATOM 151 C ASN A 14 135.237 6.483 -3.698 1.00 0.00 C ATOM 152 O ASN A 14 134.268 7.110 -4.126 1.00 0.00 O ATOM 153 CB ASN A 14 137.162 7.075 -2.215 1.00 0.00 C ATOM 154 CG ASN A 14 138.589 7.579 -2.120 1.00 0.00 C ATOM 155 OD1 ASN A 14 139.533 6.793 -2.045 1.00 0.00 O ATOM 156 ND2 ASN A 14 138.752 8.897 -2.121 1.00 0.00 N ATOM 0 H ASN A 14 137.159 8.681 -4.941 1.00 0.00 H new ATOM 0 HA ASN A 14 137.288 6.558 -4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 14 136.523 7.676 -1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 14 137.116 6.051 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 14 139.689 9.295 -2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 14 137.940 9.511 -2.185 1.00 0.00 H new ATOM 163 N SER A 15 135.153 5.230 -3.261 1.00 0.00 N ATOM 164 CA SER A 15 133.889 4.505 -3.259 1.00 0.00 C ATOM 165 C SER A 15 133.091 4.806 -1.995 1.00 0.00 C ATOM 166 O SER A 15 131.921 5.185 -2.062 1.00 0.00 O ATOM 167 CB SER A 15 134.139 3.000 -3.372 1.00 0.00 C ATOM 168 OG SER A 15 135.400 2.651 -2.828 1.00 0.00 O ATOM 0 H SER A 15 135.946 4.697 -2.904 1.00 0.00 H new ATOM 0 HA SER A 15 133.309 4.835 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 15 133.351 2.457 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 15 134.095 2.698 -4.418 1.00 0.00 H new ATOM 0 HG SER A 15 136.101 2.818 -3.493 1.00 0.00 H new ATOM 174 N HIS A 16 133.731 4.634 -0.843 1.00 0.00 N ATOM 175 CA HIS A 16 133.082 4.888 0.438 1.00 0.00 C ATOM 176 C HIS A 16 133.911 5.845 1.287 1.00 0.00 C ATOM 177 O HIS A 16 133.495 6.971 1.559 1.00 0.00 O ATOM 178 CB HIS A 16 132.862 3.573 1.192 1.00 0.00 C ATOM 179 CG HIS A 16 131.453 3.072 1.121 1.00 0.00 C ATOM 180 ND1 HIS A 16 130.429 3.599 1.878 1.00 0.00 N ATOM 181 CD2 HIS A 16 130.900 2.083 0.378 1.00 0.00 C ATOM 182 CE1 HIS A 16 129.306 2.957 1.605 1.00 0.00 C ATOM 183 NE2 HIS A 16 129.566 2.033 0.697 1.00 0.00 N ATOM 0 H HIS A 16 134.699 4.320 -0.770 1.00 0.00 H new ATOM 0 HA HIS A 16 132.115 5.351 0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 16 133.530 2.814 0.785 1.00 0.00 H new ATOM 0 HB3 HIS A 16 133.137 3.712 2.237 1.00 0.00 H new ATOM 0 HD2 HIS A 16 131.413 1.452 -0.333 1.00 0.00 H new ATOM 0 HE1 HIS A 16 128.341 3.154 2.048 1.00 0.00 H new ATOM 0 HE2 HIS A 16 128.885 1.387 0.298 1.00 0.00 H new ATOM 192 N GLY A 17 135.088 5.388 1.705 1.00 0.00 N ATOM 193 CA GLY A 17 135.958 6.216 2.519 1.00 0.00 C ATOM 194 C GLY A 17 137.253 5.516 2.881 1.00 0.00 C ATOM 195 O GLY A 17 137.419 5.048 4.007 1.00 0.00 O ATOM 0 H GLY A 17 135.454 4.460 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 17 136.184 7.137 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.434 6.500 3.432 1.00 0.00 H new ATOM 199 N LEU A 18 138.173 5.445 1.924 1.00 0.00 N ATOM 200 CA LEU A 18 139.459 4.796 2.147 1.00 0.00 C ATOM 201 C LEU A 18 140.511 5.811 2.583 1.00 0.00 C ATOM 202 O LEU A 18 141.018 6.584 1.770 1.00 0.00 O ATOM 203 CB LEU A 18 139.920 4.080 0.876 1.00 0.00 C ATOM 204 CG LEU A 18 138.891 3.132 0.258 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.244 2.832 -1.190 1.00 0.00 C ATOM 206 CD2 LEU A 18 138.800 1.846 1.066 1.00 0.00 C ATOM 0 H LEU A 18 138.051 5.829 0.987 1.00 0.00 H new ATOM 0 HA LEU A 18 139.335 4.062 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.193 4.830 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.823 3.513 1.104 1.00 0.00 H new ATOM 0 HG LEU A 18 137.916 3.620 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.501 2.156 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.257 3.760 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.227 2.364 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.063 1.183 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 18 139.773 1.354 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.499 2.079 2.087 1.00 0.00 H new ATOM 218 N GLU A 19 140.837 5.801 3.872 1.00 0.00 N ATOM 219 CA GLU A 19 141.830 6.719 4.417 1.00 0.00 C ATOM 220 C GLU A 19 142.803 5.984 5.335 1.00 0.00 C ATOM 221 O GLU A 19 142.669 4.782 5.563 1.00 0.00 O ATOM 222 CB GLU A 19 141.144 7.851 5.183 1.00 0.00 C ATOM 223 CG GLU A 19 140.169 7.365 6.242 1.00 0.00 C ATOM 224 CD GLU A 19 139.068 8.368 6.526 1.00 0.00 C ATOM 225 OE1 GLU A 19 139.317 9.321 7.292 1.00 0.00 O ATOM 226 OE2 GLU A 19 137.956 8.198 5.981 1.00 0.00 O ATOM 0 H GLU A 19 140.428 5.167 4.558 1.00 0.00 H new ATOM 0 HA GLU A 19 142.392 7.143 3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 19 141.905 8.470 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.612 8.487 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.724 6.425 5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.713 7.158 7.164 1.00 0.00 H new ATOM 233 N VAL A 20 143.782 6.716 5.858 1.00 0.00 N ATOM 234 CA VAL A 20 144.777 6.134 6.751 1.00 0.00 C ATOM 235 C VAL A 20 144.121 5.557 8.000 1.00 0.00 C ATOM 236 O VAL A 20 143.192 6.145 8.554 1.00 0.00 O ATOM 237 CB VAL A 20 145.832 7.173 7.171 1.00 0.00 C ATOM 238 CG1 VAL A 20 146.959 6.510 7.947 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.373 7.907 5.954 1.00 0.00 C ATOM 0 H VAL A 20 143.907 7.712 5.679 1.00 0.00 H new ATOM 0 HA VAL A 20 145.269 5.333 6.199 1.00 0.00 H new ATOM 0 HB VAL A 20 145.354 7.903 7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.694 7.262 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.555 6.036 8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.437 5.756 7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.117 8.637 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.833 7.192 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.556 8.419 5.445 1.00 0.00 H new ATOM 249 N GLY A 21 144.611 4.402 8.440 1.00 0.00 N ATOM 250 CA GLY A 21 144.060 3.766 9.623 1.00 0.00 C ATOM 251 C GLY A 21 143.052 2.684 9.282 1.00 0.00 C ATOM 252 O GLY A 21 142.879 1.729 10.039 1.00 0.00 O ATOM 0 H GLY A 21 145.379 3.896 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 21 144.870 3.332 10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.582 4.520 10.248 1.00 0.00 H new ATOM 256 N SER A 22 142.387 2.835 8.142 1.00 0.00 N ATOM 257 CA SER A 22 141.391 1.865 7.703 1.00 0.00 C ATOM 258 C SER A 22 142.020 0.815 6.794 1.00 0.00 C ATOM 259 O SER A 22 143.073 1.045 6.198 1.00 0.00 O ATOM 260 CB SER A 22 140.248 2.570 6.974 1.00 0.00 C ATOM 261 OG SER A 22 139.563 3.461 7.837 1.00 0.00 O ATOM 0 H SER A 22 142.520 3.620 7.505 1.00 0.00 H new ATOM 0 HA SER A 22 140.993 1.364 8.586 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.642 3.119 6.119 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.550 1.829 6.583 1.00 0.00 H new ATOM 0 HG SER A 22 138.838 3.900 7.345 1.00 0.00 H new ATOM 267 N LEU A 23 141.368 -0.338 6.690 1.00 0.00 N ATOM 268 CA LEU A 23 141.863 -1.425 5.852 1.00 0.00 C ATOM 269 C LEU A 23 141.319 -1.307 4.431 1.00 0.00 C ATOM 270 O LEU A 23 140.227 -0.781 4.216 1.00 0.00 O ATOM 271 CB LEU A 23 141.473 -2.777 6.451 1.00 0.00 C ATOM 272 CG LEU A 23 142.132 -3.107 7.790 1.00 0.00 C ATOM 273 CD1 LEU A 23 141.223 -3.993 8.628 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.478 -3.780 7.569 1.00 0.00 C ATOM 0 H LEU A 23 140.495 -0.544 7.176 1.00 0.00 H new ATOM 0 HA LEU A 23 142.950 -1.354 5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.391 -2.801 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.726 -3.560 5.736 1.00 0.00 H new ATOM 0 HG LEU A 23 142.298 -2.176 8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 23 141.709 -4.218 9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 23 140.282 -3.475 8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 23 141.026 -4.922 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.933 -4.008 8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.335 -4.703 7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 23 144.131 -3.112 7.008 1.00 0.00 H new ATOM 286 N ALA A 24 142.088 -1.802 3.466 1.00 0.00 N ATOM 287 CA ALA A 24 141.682 -1.753 2.067 1.00 0.00 C ATOM 288 C ALA A 24 142.361 -2.855 1.260 1.00 0.00 C ATOM 289 O ALA A 24 143.394 -3.389 1.666 1.00 0.00 O ATOM 290 CB ALA A 24 142.002 -0.390 1.473 1.00 0.00 C ATOM 0 H ALA A 24 142.994 -2.241 3.628 1.00 0.00 H new ATOM 0 HA ALA A 24 140.605 -1.915 2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.694 -0.367 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.468 0.382 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.075 -0.207 1.539 1.00 0.00 H new ATOM 296 N GLU A 25 141.774 -3.190 0.116 1.00 0.00 N ATOM 297 CA GLU A 25 142.323 -4.228 -0.749 1.00 0.00 C ATOM 298 C GLU A 25 142.602 -3.682 -2.145 1.00 0.00 C ATOM 299 O GLU A 25 141.870 -2.827 -2.646 1.00 0.00 O ATOM 300 CB GLU A 25 141.356 -5.412 -0.836 1.00 0.00 C ATOM 301 CG GLU A 25 142.003 -6.689 -1.347 1.00 0.00 C ATOM 302 CD GLU A 25 141.070 -7.505 -2.220 1.00 0.00 C ATOM 303 OE1 GLU A 25 140.376 -6.906 -3.068 1.00 0.00 O ATOM 304 OE2 GLU A 25 141.035 -8.742 -2.056 1.00 0.00 O ATOM 0 H GLU A 25 140.919 -2.758 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 25 143.264 -4.566 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.933 -5.599 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.527 -5.146 -1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.898 -6.436 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 25 142.324 -7.294 -0.499 1.00 0.00 H new ATOM 311 N VAL A 26 143.665 -4.180 -2.768 1.00 0.00 N ATOM 312 CA VAL A 26 144.042 -3.740 -4.107 1.00 0.00 C ATOM 313 C VAL A 26 143.862 -4.863 -5.123 1.00 0.00 C ATOM 314 O VAL A 26 144.363 -5.971 -4.934 1.00 0.00 O ATOM 315 CB VAL A 26 145.503 -3.253 -4.149 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.828 -2.646 -5.506 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.767 -2.253 -3.033 1.00 0.00 C ATOM 0 H VAL A 26 144.280 -4.888 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 26 143.384 -2.910 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 26 146.155 -4.113 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.864 -2.308 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.684 -3.396 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.169 -1.798 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.804 -1.921 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.106 -1.394 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.581 -2.726 -2.069 1.00 0.00 H new ATOM 327 N LYS A 27 143.143 -4.569 -6.201 1.00 0.00 N ATOM 328 CA LYS A 27 142.897 -5.554 -7.249 1.00 0.00 C ATOM 329 C LYS A 27 144.207 -6.026 -7.870 1.00 0.00 C ATOM 330 O LYS A 27 145.009 -5.218 -8.341 1.00 0.00 O ATOM 331 CB LYS A 27 141.989 -4.964 -8.329 1.00 0.00 C ATOM 332 CG LYS A 27 142.465 -3.622 -8.858 1.00 0.00 C ATOM 333 CD LYS A 27 142.184 -3.476 -10.346 1.00 0.00 C ATOM 334 CE LYS A 27 143.418 -3.782 -11.178 1.00 0.00 C ATOM 335 NZ LYS A 27 143.080 -4.003 -12.612 1.00 0.00 N ATOM 0 H LYS A 27 142.720 -3.657 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 27 142.401 -6.413 -6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 27 141.920 -5.668 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 27 140.984 -4.849 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 27 141.969 -2.819 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 27 143.535 -3.517 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 27 141.375 -4.148 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 27 141.845 -2.462 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 27 144.126 -2.957 -11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 27 143.913 -4.668 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 143.949 -4.209 -13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 142.424 -4.806 -12.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 142.631 -3.148 -12.998 1.00 0.00 H new ATOM 349 N GLU A 28 144.419 -7.337 -7.869 1.00 0.00 N ATOM 350 CA GLU A 28 145.632 -7.917 -8.434 1.00 0.00 C ATOM 351 C GLU A 28 145.583 -9.441 -8.380 1.00 0.00 C ATOM 352 O GLU A 28 144.657 -10.023 -7.815 1.00 0.00 O ATOM 353 CB GLU A 28 146.863 -7.404 -7.683 1.00 0.00 C ATOM 354 CG GLU A 28 147.851 -6.662 -8.569 1.00 0.00 C ATOM 355 CD GLU A 28 148.826 -7.593 -9.262 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.630 -8.240 -8.559 1.00 0.00 O ATOM 357 OE2 GLU A 28 148.786 -7.674 -10.508 1.00 0.00 O ATOM 0 H GLU A 28 143.766 -8.019 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 28 145.700 -7.613 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.539 -6.741 -6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.370 -8.247 -7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 28 147.303 -6.092 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.406 -5.944 -7.966 1.00 0.00 H new ATOM 364 N ASN A 29 146.587 -10.081 -8.971 1.00 0.00 N ATOM 365 CA ASN A 29 146.659 -11.537 -8.989 1.00 0.00 C ATOM 366 C ASN A 29 146.727 -12.096 -7.570 1.00 0.00 C ATOM 367 O ASN A 29 145.863 -12.868 -7.156 1.00 0.00 O ATOM 368 CB ASN A 29 147.876 -11.998 -9.793 1.00 0.00 C ATOM 369 CG ASN A 29 147.525 -12.348 -11.225 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.666 -13.495 -11.649 1.00 0.00 O ATOM 371 ND2 ASN A 29 147.064 -11.357 -11.981 1.00 0.00 N ATOM 0 H ASN A 29 147.361 -9.614 -9.443 1.00 0.00 H new ATOM 0 HA ASN A 29 145.755 -11.916 -9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.630 -11.211 -9.789 1.00 0.00 H new ATOM 0 HB3 ASN A 29 148.320 -12.867 -9.308 1.00 0.00 H new ATOM 0 HD21 ASN A 29 146.811 -11.533 -12.953 1.00 0.00 H new ATOM 0 HD22 ASN A 29 146.963 -10.421 -11.589 1.00 0.00 H new ATOM 378 N PRO A 30 147.761 -11.710 -6.802 1.00 0.00 N ATOM 379 CA PRO A 30 147.939 -12.176 -5.424 1.00 0.00 C ATOM 380 C PRO A 30 146.990 -11.480 -4.450 1.00 0.00 C ATOM 381 O PRO A 30 147.142 -10.292 -4.169 1.00 0.00 O ATOM 382 CB PRO A 30 149.388 -11.800 -5.116 1.00 0.00 C ATOM 383 CG PRO A 30 149.653 -10.605 -5.964 1.00 0.00 C ATOM 384 CD PRO A 30 148.839 -10.791 -7.218 1.00 0.00 C ATOM 0 HA PRO A 30 147.725 -13.240 -5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.523 -11.574 -4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.069 -12.616 -5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.367 -9.689 -5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.714 -10.521 -6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.440 -9.844 -7.581 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.437 -11.215 -8.025 1.00 0.00 H new ATOM 392 N PRO A 31 145.992 -12.211 -3.919 1.00 0.00 N ATOM 393 CA PRO A 31 145.023 -11.647 -2.973 1.00 0.00 C ATOM 394 C PRO A 31 145.649 -11.337 -1.618 1.00 0.00 C ATOM 395 O PRO A 31 145.627 -12.165 -0.709 1.00 0.00 O ATOM 396 CB PRO A 31 143.974 -12.754 -2.837 1.00 0.00 C ATOM 397 CG PRO A 31 144.706 -14.009 -3.159 1.00 0.00 C ATOM 398 CD PRO A 31 145.730 -13.636 -4.195 1.00 0.00 C ATOM 0 HA PRO A 31 144.618 -10.697 -3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.559 -12.785 -1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.140 -12.595 -3.521 1.00 0.00 H new ATOM 0 HG2 PRO A 31 145.183 -14.422 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 31 144.026 -14.771 -3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.635 -14.237 -4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.352 -13.787 -5.206 1.00 0.00 H new ATOM 406 N PHE A 32 146.208 -10.138 -1.491 1.00 0.00 N ATOM 407 CA PHE A 32 146.842 -9.717 -0.247 1.00 0.00 C ATOM 408 C PHE A 32 145.955 -8.733 0.510 1.00 0.00 C ATOM 409 O PHE A 32 145.061 -8.116 -0.069 1.00 0.00 O ATOM 410 CB PHE A 32 148.202 -9.079 -0.534 1.00 0.00 C ATOM 411 CG PHE A 32 148.167 -8.063 -1.638 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.460 -6.881 -1.488 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.842 -8.289 -2.827 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.426 -5.943 -2.503 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.812 -7.355 -3.845 1.00 0.00 C ATOM 416 CZ PHE A 32 148.103 -6.181 -3.684 1.00 0.00 C ATOM 0 H PHE A 32 146.235 -9.440 -2.235 1.00 0.00 H new ATOM 0 HA PHE A 32 146.987 -10.600 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.570 -8.603 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.914 -9.862 -0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.929 -6.690 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.398 -9.205 -2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 32 146.871 -5.026 -2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.343 -7.543 -4.766 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.078 -5.451 -4.479 1.00 0.00 H new ATOM 426 N TYR A 33 146.208 -8.594 1.807 1.00 0.00 N ATOM 427 CA TYR A 33 145.433 -7.685 2.643 1.00 0.00 C ATOM 428 C TYR A 33 146.350 -6.765 3.443 1.00 0.00 C ATOM 429 O TYR A 33 147.263 -7.226 4.129 1.00 0.00 O ATOM 430 CB TYR A 33 144.532 -8.475 3.592 1.00 0.00 C ATOM 431 CG TYR A 33 143.295 -9.036 2.928 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.410 -8.205 2.252 1.00 0.00 C ATOM 433 CD2 TYR A 33 143.012 -10.395 2.976 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.277 -8.713 1.643 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.882 -10.910 2.369 1.00 0.00 C ATOM 436 CZ TYR A 33 141.019 -10.065 1.705 1.00 0.00 C ATOM 437 OH TYR A 33 139.893 -10.575 1.099 1.00 0.00 O ATOM 0 H TYR A 33 146.943 -9.099 2.302 1.00 0.00 H new ATOM 0 HA TYR A 33 144.813 -7.071 1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 33 145.105 -9.295 4.025 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.230 -7.828 4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.610 -7.145 2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.686 -11.060 3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.598 -8.054 1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.676 -11.969 2.415 1.00 0.00 H new ATOM 0 HH TYR A 33 139.859 -11.545 1.235 1.00 0.00 H new ATOM 447 N GLY A 34 146.102 -5.463 3.349 1.00 0.00 N ATOM 448 CA GLY A 34 146.914 -4.500 4.069 1.00 0.00 C ATOM 449 C GLY A 34 146.132 -3.264 4.467 1.00 0.00 C ATOM 450 O GLY A 34 145.114 -2.941 3.854 1.00 0.00 O ATOM 0 H GLY A 34 145.353 -5.058 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.323 -4.971 4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.760 -4.206 3.448 1.00 0.00 H new ATOM 454 N VAL A 35 146.607 -2.570 5.496 1.00 0.00 N ATOM 455 CA VAL A 35 145.946 -1.363 5.975 1.00 0.00 C ATOM 456 C VAL A 35 146.638 -0.111 5.444 1.00 0.00 C ATOM 457 O VAL A 35 147.863 -0.067 5.335 1.00 0.00 O ATOM 458 CB VAL A 35 145.919 -1.312 7.516 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.332 -1.295 8.078 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.129 -0.104 8.000 1.00 0.00 C ATOM 0 H VAL A 35 147.448 -2.824 6.014 1.00 0.00 H new ATOM 0 HA VAL A 35 144.922 -1.392 5.604 1.00 0.00 H new ATOM 0 HB VAL A 35 145.421 -2.211 7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.290 -1.259 9.167 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.859 -2.196 7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.861 -0.418 7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.122 -0.087 9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.593 0.808 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 35 144.105 -0.168 7.632 1.00 0.00 H new ATOM 470 N ILE A 36 145.845 0.904 5.117 1.00 0.00 N ATOM 471 CA ILE A 36 146.383 2.155 4.598 1.00 0.00 C ATOM 472 C ILE A 36 147.289 2.828 5.624 1.00 0.00 C ATOM 473 O ILE A 36 147.059 2.731 6.829 1.00 0.00 O ATOM 474 CB ILE A 36 145.257 3.132 4.201 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.266 2.447 3.258 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.840 4.379 3.551 1.00 0.00 C ATOM 477 CD1 ILE A 36 143.139 3.348 2.805 1.00 0.00 C ATOM 0 H ILE A 36 144.829 0.884 5.202 1.00 0.00 H new ATOM 0 HA ILE A 36 146.964 1.906 3.710 1.00 0.00 H new ATOM 0 HB ILE A 36 144.723 3.432 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.803 2.083 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.844 1.575 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 36 145.032 5.058 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.509 4.876 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.396 4.097 2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.476 2.795 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.577 3.692 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.551 4.207 2.276 1.00 0.00 H new ATOM 489 N ARG A 37 148.321 3.510 5.137 1.00 0.00 N ATOM 490 CA ARG A 37 149.264 4.198 6.012 1.00 0.00 C ATOM 491 C ARG A 37 149.478 5.638 5.558 1.00 0.00 C ATOM 492 O ARG A 37 149.127 6.580 6.268 1.00 0.00 O ATOM 493 CB ARG A 37 150.601 3.455 6.037 1.00 0.00 C ATOM 494 CG ARG A 37 150.470 1.975 6.355 1.00 0.00 C ATOM 495 CD ARG A 37 149.921 1.752 7.755 1.00 0.00 C ATOM 496 NE ARG A 37 150.944 1.938 8.781 1.00 0.00 N ATOM 497 CZ ARG A 37 150.768 1.639 10.066 1.00 0.00 C ATOM 498 NH1 ARG A 37 149.611 1.142 10.488 1.00 0.00 N ATOM 499 NH2 ARG A 37 151.752 1.837 10.933 1.00 0.00 N ATOM 0 H ARG A 37 148.525 3.601 4.142 1.00 0.00 H new ATOM 0 HA ARG A 37 148.844 4.213 7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.088 3.568 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.252 3.921 6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.812 1.502 5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.444 1.495 6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 37 149.097 2.443 7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 37 149.514 0.744 7.828 1.00 0.00 H new ATOM 0 HE ARG A 37 151.846 2.319 8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 37 148.851 0.987 9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.483 0.915 11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 37 152.643 2.218 10.615 1.00 0.00 H new ATOM 0 HH22 ARG A 37 151.618 1.608 11.918 1.00 0.00 H new ATOM 513 N TRP A 38 150.056 5.802 4.372 1.00 0.00 N ATOM 514 CA TRP A 38 150.316 7.130 3.827 1.00 0.00 C ATOM 515 C TRP A 38 149.543 7.349 2.529 1.00 0.00 C ATOM 516 O TRP A 38 149.546 6.497 1.641 1.00 0.00 O ATOM 517 CB TRP A 38 151.817 7.323 3.584 1.00 0.00 C ATOM 518 CG TRP A 38 152.143 8.561 2.801 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.412 9.801 3.302 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.227 8.676 1.376 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.659 10.681 2.275 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.551 10.014 1.082 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.060 7.777 0.318 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.711 10.472 -0.223 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.220 8.233 -0.977 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.543 9.570 -1.238 1.00 0.00 C ATOM 0 H TRP A 38 150.353 5.033 3.771 1.00 0.00 H new ATOM 0 HA TRP A 38 149.978 7.866 4.556 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.330 7.365 4.545 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.206 6.454 3.053 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.429 10.054 4.352 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.886 11.670 2.383 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.810 6.744 0.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.959 11.503 -0.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.094 7.547 -1.801 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.662 9.896 -2.261 1.00 0.00 H new ATOM 537 N ILE A 39 148.894 8.503 2.427 1.00 0.00 N ATOM 538 CA ILE A 39 148.126 8.850 1.238 1.00 0.00 C ATOM 539 C ILE A 39 148.592 10.186 0.670 1.00 0.00 C ATOM 540 O ILE A 39 148.308 11.242 1.233 1.00 0.00 O ATOM 541 CB ILE A 39 146.619 8.932 1.547 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.161 7.685 2.304 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.823 9.101 0.261 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.788 7.822 2.924 1.00 0.00 C ATOM 0 H ILE A 39 148.885 9.216 3.156 1.00 0.00 H new ATOM 0 HA ILE A 39 148.292 8.062 0.504 1.00 0.00 H new ATOM 0 HB ILE A 39 146.440 9.802 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.159 6.836 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.884 7.461 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.760 9.157 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.133 10.018 -0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.005 8.249 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.530 6.899 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.790 8.650 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.053 8.015 2.142 1.00 0.00 H new ATOM 556 N GLY A 40 149.317 10.133 -0.444 1.00 0.00 N ATOM 557 CA GLY A 40 149.814 11.349 -1.058 1.00 0.00 C ATOM 558 C GLY A 40 150.305 11.134 -2.475 1.00 0.00 C ATOM 559 O GLY A 40 150.084 10.075 -3.064 1.00 0.00 O ATOM 0 H GLY A 40 149.568 9.272 -0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 40 149.022 12.098 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.628 11.749 -0.453 1.00 0.00 H new ATOM 563 N GLN A 41 150.970 12.144 -3.024 1.00 0.00 N ATOM 564 CA GLN A 41 151.495 12.072 -4.380 1.00 0.00 C ATOM 565 C GLN A 41 152.978 12.443 -4.409 1.00 0.00 C ATOM 566 O GLN A 41 153.344 13.581 -4.113 1.00 0.00 O ATOM 567 CB GLN A 41 150.705 13.008 -5.294 1.00 0.00 C ATOM 568 CG GLN A 41 149.198 12.857 -5.161 1.00 0.00 C ATOM 569 CD GLN A 41 148.474 14.187 -5.206 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.498 14.954 -4.243 1.00 0.00 O ATOM 571 NE2 GLN A 41 147.824 14.467 -6.327 1.00 0.00 N ATOM 0 H GLN A 41 151.158 13.026 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 41 151.390 11.047 -4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 41 150.980 14.039 -5.070 1.00 0.00 H new ATOM 0 HB3 GLN A 41 150.991 12.819 -6.329 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.828 12.219 -5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.968 12.354 -4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 41 147.831 13.802 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.317 15.348 -6.416 1.00 0.00 H new ATOM 580 N PRO A 42 153.856 11.486 -4.764 1.00 0.00 N ATOM 581 CA PRO A 42 155.302 11.726 -4.824 1.00 0.00 C ATOM 582 C PRO A 42 155.661 12.868 -5.770 1.00 0.00 C ATOM 583 O PRO A 42 154.875 13.231 -6.645 1.00 0.00 O ATOM 584 CB PRO A 42 155.868 10.402 -5.348 1.00 0.00 C ATOM 585 CG PRO A 42 154.829 9.387 -5.017 1.00 0.00 C ATOM 586 CD PRO A 42 153.514 10.100 -5.132 1.00 0.00 C ATOM 0 HA PRO A 42 155.703 12.020 -3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.050 10.447 -6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.820 10.163 -4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 42 154.877 8.540 -5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 42 154.974 8.992 -4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.108 10.039 -6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.766 9.677 -4.462 1.00 0.00 H new ATOM 594 N PRO A 43 156.860 13.453 -5.604 1.00 0.00 N ATOM 595 CA PRO A 43 157.321 14.559 -6.447 1.00 0.00 C ATOM 596 C PRO A 43 157.678 14.101 -7.857 1.00 0.00 C ATOM 597 O PRO A 43 158.830 13.773 -8.140 1.00 0.00 O ATOM 598 CB PRO A 43 158.567 15.062 -5.721 1.00 0.00 C ATOM 599 CG PRO A 43 159.073 13.877 -4.971 1.00 0.00 C ATOM 600 CD PRO A 43 157.858 13.080 -4.583 1.00 0.00 C ATOM 0 HA PRO A 43 156.551 15.319 -6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.312 15.433 -6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.328 15.884 -5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.748 13.284 -5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.635 14.185 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.061 12.009 -4.593 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.517 13.331 -3.578 1.00 0.00 H new ATOM 608 N GLY A 44 156.684 14.083 -8.737 1.00 0.00 N ATOM 609 CA GLY A 44 156.916 13.664 -10.106 1.00 0.00 C ATOM 610 C GLY A 44 155.650 13.186 -10.789 1.00 0.00 C ATOM 611 O GLY A 44 155.329 13.629 -11.892 1.00 0.00 O ATOM 0 H GLY A 44 155.722 14.351 -8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.338 14.496 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 44 157.656 12.863 -10.117 1.00 0.00 H new ATOM 615 N LEU A 45 154.931 12.282 -10.134 1.00 0.00 N ATOM 616 CA LEU A 45 153.693 11.747 -10.689 1.00 0.00 C ATOM 617 C LEU A 45 152.520 12.016 -9.755 1.00 0.00 C ATOM 618 O LEU A 45 152.446 11.454 -8.661 1.00 0.00 O ATOM 619 CB LEU A 45 153.828 10.243 -10.936 1.00 0.00 C ATOM 620 CG LEU A 45 154.377 9.438 -9.755 1.00 0.00 C ATOM 621 CD1 LEU A 45 153.938 7.983 -9.848 1.00 0.00 C ATOM 622 CD2 LEU A 45 155.895 9.539 -9.700 1.00 0.00 C ATOM 0 H LEU A 45 155.183 11.905 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 45 153.502 12.248 -11.638 1.00 0.00 H new ATOM 0 HB2 LEU A 45 152.849 9.845 -11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.480 10.089 -11.796 1.00 0.00 H new ATOM 0 HG LEU A 45 153.972 9.858 -8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.338 7.427 -9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 45 152.849 7.930 -9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.312 7.549 -10.775 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.268 8.961 -8.854 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.320 9.146 -10.624 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.186 10.583 -9.582 1.00 0.00 H new ATOM 634 N ASN A 46 151.603 12.876 -10.187 1.00 0.00 N ATOM 635 CA ASN A 46 150.440 13.205 -9.375 1.00 0.00 C ATOM 636 C ASN A 46 149.451 12.046 -9.365 1.00 0.00 C ATOM 637 O ASN A 46 148.777 11.780 -10.359 1.00 0.00 O ATOM 638 CB ASN A 46 149.762 14.467 -9.912 1.00 0.00 C ATOM 639 CG ASN A 46 148.887 15.142 -8.874 1.00 0.00 C ATOM 640 OD1 ASN A 46 147.667 14.972 -8.867 1.00 0.00 O ATOM 641 ND2 ASN A 46 149.507 15.914 -7.989 1.00 0.00 N ATOM 0 H ASN A 46 151.643 13.354 -11.087 1.00 0.00 H new ATOM 0 HA ASN A 46 150.772 13.388 -8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.524 15.168 -10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.156 14.209 -10.781 1.00 0.00 H new ATOM 0 HD21 ASN A 46 148.970 16.394 -7.267 1.00 0.00 H new ATOM 0 HD22 ASN A 46 150.520 16.027 -8.032 1.00 0.00 H new ATOM 648 N GLU A 47 149.371 11.360 -8.230 1.00 0.00 N ATOM 649 CA GLU A 47 148.465 10.227 -8.080 1.00 0.00 C ATOM 650 C GLU A 47 148.336 9.831 -6.614 1.00 0.00 C ATOM 651 O GLU A 47 149.326 9.488 -5.968 1.00 0.00 O ATOM 652 CB GLU A 47 148.954 9.034 -8.906 1.00 0.00 C ATOM 653 CG GLU A 47 150.467 8.871 -8.922 1.00 0.00 C ATOM 654 CD GLU A 47 150.949 8.024 -10.084 1.00 0.00 C ATOM 655 OE1 GLU A 47 150.993 8.543 -11.218 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.281 6.841 -9.859 1.00 0.00 O ATOM 0 H GLU A 47 149.924 11.569 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 47 147.483 10.528 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.505 8.123 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 47 148.600 9.145 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 47 150.934 9.854 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 47 150.790 8.415 -7.986 1.00 0.00 H new ATOM 663 N VAL A 48 147.114 9.870 -6.094 1.00 0.00 N ATOM 664 CA VAL A 48 146.872 9.503 -4.705 1.00 0.00 C ATOM 665 C VAL A 48 147.247 8.047 -4.462 1.00 0.00 C ATOM 666 O VAL A 48 146.529 7.136 -4.873 1.00 0.00 O ATOM 667 CB VAL A 48 145.398 9.717 -4.313 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.216 9.557 -2.812 1.00 0.00 C ATOM 669 CG2 VAL A 48 144.916 11.084 -4.773 1.00 0.00 C ATOM 0 H VAL A 48 146.280 10.150 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 48 147.495 10.150 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 48 144.795 8.958 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.168 9.712 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.519 8.553 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.830 10.291 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 48 143.873 11.217 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.522 11.860 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.007 11.156 -5.857 1.00 0.00 H new ATOM 679 N LEU A 49 148.379 7.832 -3.799 1.00 0.00 N ATOM 680 CA LEU A 49 148.848 6.483 -3.510 1.00 0.00 C ATOM 681 C LEU A 49 148.744 6.177 -2.020 1.00 0.00 C ATOM 682 O LEU A 49 149.376 6.837 -1.195 1.00 0.00 O ATOM 683 CB LEU A 49 150.295 6.312 -3.976 1.00 0.00 C ATOM 684 CG LEU A 49 150.530 6.565 -5.466 1.00 0.00 C ATOM 685 CD1 LEU A 49 151.936 7.094 -5.703 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.295 5.292 -6.266 1.00 0.00 C ATOM 0 H LEU A 49 148.987 8.574 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 49 148.213 5.782 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 49 150.927 6.991 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.619 5.299 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 49 149.819 7.319 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.084 7.268 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.069 8.030 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.664 6.364 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.467 5.490 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.982 4.517 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.268 4.956 -6.122 1.00 0.00 H new ATOM 698 N ALA A 50 147.942 5.175 -1.682 1.00 0.00 N ATOM 699 CA ALA A 50 147.757 4.783 -0.293 1.00 0.00 C ATOM 700 C ALA A 50 148.708 3.652 0.087 1.00 0.00 C ATOM 701 O ALA A 50 148.610 2.543 -0.438 1.00 0.00 O ATOM 702 CB ALA A 50 146.314 4.370 -0.048 1.00 0.00 C ATOM 0 H ALA A 50 147.410 4.620 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 50 147.986 5.643 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.191 4.079 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.653 5.207 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.063 3.527 -0.692 1.00 0.00 H new ATOM 708 N GLY A 51 149.627 3.939 1.002 1.00 0.00 N ATOM 709 CA GLY A 51 150.582 2.936 1.435 1.00 0.00 C ATOM 710 C GLY A 51 149.944 1.857 2.288 1.00 0.00 C ATOM 711 O GLY A 51 149.667 2.072 3.467 1.00 0.00 O ATOM 0 H GLY A 51 149.728 4.849 1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.044 2.478 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.379 3.418 2.001 1.00 0.00 H new ATOM 715 N LEU A 52 149.711 0.693 1.690 1.00 0.00 N ATOM 716 CA LEU A 52 149.101 -0.422 2.404 1.00 0.00 C ATOM 717 C LEU A 52 150.167 -1.303 3.049 1.00 0.00 C ATOM 718 O LEU A 52 151.186 -1.613 2.434 1.00 0.00 O ATOM 719 CB LEU A 52 148.242 -1.257 1.453 1.00 0.00 C ATOM 720 CG LEU A 52 146.950 -0.583 0.988 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.322 -1.365 -0.155 1.00 0.00 C ATOM 722 CD2 LEU A 52 145.973 -0.450 2.147 1.00 0.00 C ATOM 0 H LEU A 52 149.935 0.498 0.714 1.00 0.00 H new ATOM 0 HA LEU A 52 148.467 -0.013 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.838 -1.510 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.987 -2.195 1.946 1.00 0.00 H new ATOM 0 HG LEU A 52 147.192 0.416 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.404 -0.871 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.019 -1.409 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.092 -2.377 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.059 0.032 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.736 -1.439 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.423 0.153 2.935 1.00 0.00 H new ATOM 734 N GLU A 53 149.923 -1.701 4.293 1.00 0.00 N ATOM 735 CA GLU A 53 150.860 -2.546 5.023 1.00 0.00 C ATOM 736 C GLU A 53 150.365 -3.987 5.075 1.00 0.00 C ATOM 737 O GLU A 53 149.400 -4.298 5.775 1.00 0.00 O ATOM 738 CB GLU A 53 151.064 -2.012 6.442 1.00 0.00 C ATOM 739 CG GLU A 53 152.062 -2.817 7.258 1.00 0.00 C ATOM 740 CD GLU A 53 151.663 -2.934 8.716 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.505 -3.320 8.985 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.507 -2.640 9.588 1.00 0.00 O ATOM 0 H GLU A 53 149.084 -1.452 4.817 1.00 0.00 H new ATOM 0 HA GLU A 53 151.814 -2.527 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.403 -0.978 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.105 -2.006 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.155 -3.815 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.044 -2.348 7.190 1.00 0.00 H new ATOM 749 N LEU A 54 151.031 -4.864 4.331 1.00 0.00 N ATOM 750 CA LEU A 54 150.656 -6.273 4.293 1.00 0.00 C ATOM 751 C LEU A 54 150.886 -6.932 5.649 1.00 0.00 C ATOM 752 O LEU A 54 151.925 -6.736 6.278 1.00 0.00 O ATOM 753 CB LEU A 54 151.457 -7.006 3.214 1.00 0.00 C ATOM 754 CG LEU A 54 151.439 -6.347 1.835 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.671 -6.744 1.038 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.171 -6.721 1.083 1.00 0.00 C ATOM 0 H LEU A 54 151.832 -4.624 3.747 1.00 0.00 H new ATOM 0 HA LEU A 54 149.595 -6.336 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.492 -7.091 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.068 -8.020 3.120 1.00 0.00 H new ATOM 0 HG LEU A 54 151.452 -5.265 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.641 -6.265 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.567 -6.425 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.690 -7.827 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.175 -6.243 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 54 150.127 -7.803 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.301 -6.385 1.647 1.00 0.00 H new ATOM 768 N GLU A 55 149.907 -7.714 6.094 1.00 0.00 N ATOM 769 CA GLU A 55 150.001 -8.401 7.377 1.00 0.00 C ATOM 770 C GLU A 55 151.060 -9.499 7.330 1.00 0.00 C ATOM 771 O GLU A 55 151.701 -9.799 8.336 1.00 0.00 O ATOM 772 CB GLU A 55 148.646 -8.998 7.759 1.00 0.00 C ATOM 773 CG GLU A 55 147.674 -7.981 8.333 1.00 0.00 C ATOM 774 CD GLU A 55 148.170 -7.364 9.626 1.00 0.00 C ATOM 775 OE1 GLU A 55 148.415 -8.122 10.589 1.00 0.00 O ATOM 776 OE2 GLU A 55 148.315 -6.125 9.676 1.00 0.00 O ATOM 0 H GLU A 55 149.040 -7.887 5.585 1.00 0.00 H new ATOM 0 HA GLU A 55 150.294 -7.671 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.199 -9.458 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.801 -9.792 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.505 -7.192 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 55 146.713 -8.463 8.510 1.00 0.00 H new ATOM 783 N ASP A 56 151.235 -10.095 6.155 1.00 0.00 N ATOM 784 CA ASP A 56 152.215 -11.161 5.978 1.00 0.00 C ATOM 785 C ASP A 56 153.472 -10.635 5.293 1.00 0.00 C ATOM 786 O ASP A 56 153.399 -10.016 4.231 1.00 0.00 O ATOM 787 CB ASP A 56 151.614 -12.305 5.159 1.00 0.00 C ATOM 788 CG ASP A 56 152.086 -13.665 5.635 1.00 0.00 C ATOM 789 OD1 ASP A 56 153.314 -13.865 5.739 1.00 0.00 O ATOM 790 OD2 ASP A 56 151.226 -14.531 5.903 1.00 0.00 O ATOM 0 H ASP A 56 150.712 -9.858 5.312 1.00 0.00 H new ATOM 0 HA ASP A 56 152.490 -11.536 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.527 -12.259 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 56 151.881 -12.177 4.110 1.00 0.00 H new ATOM 795 N GLU A 57 154.623 -10.886 5.908 1.00 0.00 N ATOM 796 CA GLU A 57 155.897 -10.437 5.358 1.00 0.00 C ATOM 797 C GLU A 57 156.146 -11.058 3.987 1.00 0.00 C ATOM 798 O GLU A 57 156.676 -12.164 3.883 1.00 0.00 O ATOM 799 CB GLU A 57 157.041 -10.794 6.308 1.00 0.00 C ATOM 800 CG GLU A 57 157.055 -9.966 7.582 1.00 0.00 C ATOM 801 CD GLU A 57 158.284 -10.222 8.432 1.00 0.00 C ATOM 802 OE1 GLU A 57 159.408 -10.075 7.908 1.00 0.00 O ATOM 803 OE2 GLU A 57 158.123 -10.572 9.620 1.00 0.00 O ATOM 0 H GLU A 57 154.700 -11.398 6.787 1.00 0.00 H new ATOM 0 HA GLU A 57 155.854 -9.354 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.968 -11.849 6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 57 157.989 -10.661 5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.011 -8.908 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.162 -10.189 8.165 1.00 0.00 H new ATOM 810 N CYS A 58 155.763 -10.338 2.938 1.00 0.00 N ATOM 811 CA CYS A 58 155.945 -10.818 1.573 1.00 0.00 C ATOM 812 C CYS A 58 157.246 -10.289 0.980 1.00 0.00 C ATOM 813 O CYS A 58 157.473 -9.080 0.932 1.00 0.00 O ATOM 814 CB CYS A 58 154.763 -10.394 0.699 1.00 0.00 C ATOM 815 SG CYS A 58 154.436 -11.507 -0.689 1.00 0.00 S ATOM 0 H CYS A 58 155.324 -9.420 3.007 1.00 0.00 H new ATOM 0 HA CYS A 58 155.995 -11.906 1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 58 153.869 -10.332 1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 58 154.952 -9.393 0.312 1.00 0.00 H new ATOM 0 HG CYS A 58 153.418 -11.067 -1.368 1.00 0.00 H new ATOM 821 N ALA A 59 158.100 -11.203 0.529 1.00 0.00 N ATOM 822 CA ALA A 59 159.379 -10.828 -0.061 1.00 0.00 C ATOM 823 C ALA A 59 159.178 -10.053 -1.359 1.00 0.00 C ATOM 824 O ALA A 59 158.634 -10.579 -2.330 1.00 0.00 O ATOM 825 CB ALA A 59 160.228 -12.065 -0.310 1.00 0.00 C ATOM 0 H ALA A 59 157.929 -12.208 0.561 1.00 0.00 H new ATOM 0 HA ALA A 59 159.900 -10.179 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.180 -11.770 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.409 -12.578 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 59 159.704 -12.734 -0.992 1.00 0.00 H new ATOM 831 N GLY A 60 159.621 -8.800 -1.369 1.00 0.00 N ATOM 832 CA GLY A 60 159.480 -7.973 -2.552 1.00 0.00 C ATOM 833 C GLY A 60 159.106 -6.542 -2.218 1.00 0.00 C ATOM 834 O GLY A 60 159.440 -5.617 -2.959 1.00 0.00 O ATOM 0 H GLY A 60 160.075 -8.343 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 60 160.416 -7.980 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 60 158.718 -8.402 -3.203 1.00 0.00 H new ATOM 838 N CYS A 61 158.411 -6.360 -1.100 1.00 0.00 N ATOM 839 CA CYS A 61 157.991 -5.031 -0.668 1.00 0.00 C ATOM 840 C CYS A 61 159.058 -4.381 0.206 1.00 0.00 C ATOM 841 O CYS A 61 160.067 -5.004 0.538 1.00 0.00 O ATOM 842 CB CYS A 61 156.669 -5.115 0.097 1.00 0.00 C ATOM 843 SG CYS A 61 155.341 -5.938 -0.813 1.00 0.00 S ATOM 0 H CYS A 61 158.127 -7.116 -0.477 1.00 0.00 H new ATOM 0 HA CYS A 61 157.850 -4.415 -1.556 1.00 0.00 H new ATOM 0 HB2 CYS A 61 156.837 -5.647 1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.347 -4.106 0.356 1.00 0.00 H new ATOM 0 HG CYS A 61 155.087 -7.088 -0.264 1.00 0.00 H new ATOM 849 N THR A 62 158.829 -3.125 0.574 1.00 0.00 N ATOM 850 CA THR A 62 159.770 -2.390 1.410 1.00 0.00 C ATOM 851 C THR A 62 159.230 -2.229 2.827 1.00 0.00 C ATOM 852 O THR A 62 158.159 -2.740 3.155 1.00 0.00 O ATOM 853 CB THR A 62 160.058 -1.016 0.803 1.00 0.00 C ATOM 854 OG1 THR A 62 158.932 -0.537 0.089 1.00 0.00 O ATOM 855 CG2 THR A 62 161.237 -1.016 -0.146 1.00 0.00 C ATOM 0 H THR A 62 158.000 -2.595 0.306 1.00 0.00 H new ATOM 0 HA THR A 62 160.697 -2.961 1.457 1.00 0.00 H new ATOM 0 HB THR A 62 160.293 -0.370 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 62 159.070 0.404 -0.146 1.00 0.00 H new ATOM 0 HG21 THR A 62 161.386 -0.011 -0.541 1.00 0.00 H new ATOM 0 HG22 THR A 62 162.133 -1.333 0.387 1.00 0.00 H new ATOM 0 HG23 THR A 62 161.042 -1.704 -0.969 1.00 0.00 H new ATOM 863 N ASP A 63 159.978 -1.518 3.663 1.00 0.00 N ATOM 864 CA ASP A 63 159.574 -1.291 5.046 1.00 0.00 C ATOM 865 C ASP A 63 158.917 0.076 5.203 1.00 0.00 C ATOM 866 O ASP A 63 159.058 0.729 6.238 1.00 0.00 O ATOM 867 CB ASP A 63 160.782 -1.399 5.977 1.00 0.00 C ATOM 868 CG ASP A 63 161.849 -0.367 5.663 1.00 0.00 C ATOM 869 OD1 ASP A 63 162.137 -0.158 4.466 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.395 0.231 6.613 1.00 0.00 O ATOM 0 H ASP A 63 160.867 -1.089 3.408 1.00 0.00 H new ATOM 0 HA ASP A 63 158.847 -2.057 5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.454 -1.276 7.009 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.211 -2.398 5.896 1.00 0.00 H new ATOM 875 N GLY A 64 158.199 0.504 4.170 1.00 0.00 N ATOM 876 CA GLY A 64 157.531 1.793 4.215 1.00 0.00 C ATOM 877 C GLY A 64 158.292 2.866 3.462 1.00 0.00 C ATOM 878 O GLY A 64 158.356 4.014 3.901 1.00 0.00 O ATOM 0 H GLY A 64 158.067 -0.017 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.531 1.696 3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.409 2.100 5.254 1.00 0.00 H new ATOM 882 N THR A 65 158.870 2.492 2.325 1.00 0.00 N ATOM 883 CA THR A 65 159.630 3.431 1.509 1.00 0.00 C ATOM 884 C THR A 65 159.197 3.358 0.049 1.00 0.00 C ATOM 885 O THR A 65 159.314 2.313 -0.592 1.00 0.00 O ATOM 886 CB THR A 65 161.127 3.144 1.624 1.00 0.00 C ATOM 887 OG1 THR A 65 161.357 1.761 1.838 1.00 0.00 O ATOM 888 CG2 THR A 65 161.798 3.899 2.751 1.00 0.00 C ATOM 0 H THR A 65 158.826 1.545 1.948 1.00 0.00 H new ATOM 0 HA THR A 65 159.431 4.437 1.878 1.00 0.00 H new ATOM 0 HB THR A 65 161.557 3.476 0.679 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.321 1.597 1.907 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.859 3.649 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.682 4.971 2.591 1.00 0.00 H new ATOM 0 HG23 THR A 65 161.338 3.622 3.699 1.00 0.00 H new ATOM 896 N PHE A 66 158.697 4.474 -0.471 1.00 0.00 N ATOM 897 CA PHE A 66 158.247 4.536 -1.858 1.00 0.00 C ATOM 898 C PHE A 66 159.181 5.403 -2.695 1.00 0.00 C ATOM 899 O PHE A 66 159.203 6.625 -2.553 1.00 0.00 O ATOM 900 CB PHE A 66 156.821 5.087 -1.927 1.00 0.00 C ATOM 901 CG PHE A 66 156.154 4.856 -3.253 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.945 3.569 -3.724 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.734 5.925 -4.028 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.330 3.354 -4.942 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.120 5.716 -5.248 1.00 0.00 C ATOM 906 CZ PHE A 66 154.917 4.429 -5.706 1.00 0.00 C ATOM 0 H PHE A 66 158.593 5.347 0.046 1.00 0.00 H new ATOM 0 HA PHE A 66 158.259 3.525 -2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.223 4.624 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.843 6.157 -1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.267 2.725 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.888 6.934 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.172 2.346 -5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.799 6.558 -5.843 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.437 4.263 -6.659 1.00 0.00 H new ATOM 916 N ARG A 67 159.951 4.762 -3.568 1.00 0.00 N ATOM 917 CA ARG A 67 160.888 5.474 -4.429 1.00 0.00 C ATOM 918 C ARG A 67 161.917 6.237 -3.601 1.00 0.00 C ATOM 919 O ARG A 67 162.338 7.333 -3.971 1.00 0.00 O ATOM 920 CB ARG A 67 160.136 6.442 -5.345 1.00 0.00 C ATOM 921 CG ARG A 67 159.205 5.749 -6.328 1.00 0.00 C ATOM 922 CD ARG A 67 159.131 6.501 -7.648 1.00 0.00 C ATOM 923 NE ARG A 67 158.614 5.661 -8.726 1.00 0.00 N ATOM 924 CZ ARG A 67 158.732 5.959 -10.018 1.00 0.00 C ATOM 925 NH1 ARG A 67 159.348 7.072 -10.396 1.00 0.00 N ATOM 926 NH2 ARG A 67 158.234 5.140 -10.935 1.00 0.00 N ATOM 0 H ARG A 67 159.945 3.750 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 67 161.412 4.739 -5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.556 7.132 -4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.859 7.039 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.554 4.732 -6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.208 5.673 -5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 67 158.492 7.376 -7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 67 160.123 6.864 -7.915 1.00 0.00 H new ATOM 0 HE ARG A 67 158.135 4.796 -8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 67 159.734 7.704 -9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 67 159.435 7.295 -11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 67 157.761 4.282 -10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 67 158.324 5.368 -11.925 1.00 0.00 H new ATOM 940 N GLY A 68 162.316 5.650 -2.477 1.00 0.00 N ATOM 941 CA GLY A 68 163.293 6.288 -1.614 1.00 0.00 C ATOM 942 C GLY A 68 162.707 7.451 -0.837 1.00 0.00 C ATOM 943 O GLY A 68 163.417 8.399 -0.497 1.00 0.00 O ATOM 0 H GLY A 68 161.980 4.744 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.692 5.552 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.130 6.642 -2.216 1.00 0.00 H new ATOM 947 N THR A 69 161.410 7.382 -0.558 1.00 0.00 N ATOM 948 CA THR A 69 160.730 8.437 0.183 1.00 0.00 C ATOM 949 C THR A 69 159.961 7.861 1.368 1.00 0.00 C ATOM 950 O THR A 69 158.814 7.435 1.229 1.00 0.00 O ATOM 951 CB THR A 69 159.775 9.199 -0.736 1.00 0.00 C ATOM 952 OG1 THR A 69 160.414 9.534 -1.956 1.00 0.00 O ATOM 953 CG2 THR A 69 159.252 10.482 -0.126 1.00 0.00 C ATOM 0 H THR A 69 160.808 6.606 -0.834 1.00 0.00 H new ATOM 0 HA THR A 69 161.486 9.125 0.563 1.00 0.00 H new ATOM 0 HB THR A 69 158.934 8.525 -0.901 1.00 0.00 H new ATOM 0 HG1 THR A 69 159.787 10.020 -2.531 1.00 0.00 H new ATOM 0 HG21 THR A 69 158.580 10.973 -0.831 1.00 0.00 H new ATOM 0 HG22 THR A 69 158.711 10.254 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.088 11.144 0.100 1.00 0.00 H new ATOM 961 N ARG A 70 160.601 7.852 2.533 1.00 0.00 N ATOM 962 CA ARG A 70 159.977 7.329 3.742 1.00 0.00 C ATOM 963 C ARG A 70 158.734 8.134 4.107 1.00 0.00 C ATOM 964 O ARG A 70 158.803 9.349 4.297 1.00 0.00 O ATOM 965 CB ARG A 70 160.971 7.350 4.905 1.00 0.00 C ATOM 966 CG ARG A 70 160.431 6.721 6.179 1.00 0.00 C ATOM 967 CD ARG A 70 161.137 7.265 7.410 1.00 0.00 C ATOM 968 NE ARG A 70 162.447 6.649 7.608 1.00 0.00 N ATOM 969 CZ ARG A 70 163.112 6.674 8.761 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.594 7.282 9.820 1.00 0.00 N ATOM 971 NH2 ARG A 70 164.298 6.088 8.854 1.00 0.00 N ATOM 0 H ARG A 70 161.550 8.201 2.665 1.00 0.00 H new ATOM 0 HA ARG A 70 159.676 6.299 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.878 6.824 4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.254 8.382 5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.361 6.914 6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.557 5.639 6.134 1.00 0.00 H new ATOM 0 HD2 ARG A 70 161.255 8.344 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.518 7.090 8.290 1.00 0.00 H new ATOM 0 HE ARG A 70 162.877 6.172 6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.682 7.733 9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 70 163.108 7.298 10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 70 164.700 5.619 8.043 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.808 6.107 9.737 1.00 0.00 H new ATOM 985 N TYR A 71 157.599 7.450 4.202 1.00 0.00 N ATOM 986 CA TYR A 71 156.340 8.102 4.544 1.00 0.00 C ATOM 987 C TYR A 71 155.897 7.724 5.954 1.00 0.00 C ATOM 988 O TYR A 71 155.405 8.564 6.707 1.00 0.00 O ATOM 989 CB TYR A 71 155.254 7.720 3.537 1.00 0.00 C ATOM 990 CG TYR A 71 155.396 8.412 2.201 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.622 9.780 2.126 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.303 7.697 1.013 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.753 10.417 0.906 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.433 8.326 -0.211 1.00 0.00 C ATOM 995 CZ TYR A 71 155.657 9.685 -0.259 1.00 0.00 C ATOM 996 OH TYR A 71 155.787 10.315 -1.475 1.00 0.00 O ATOM 0 H TYR A 71 157.525 6.445 4.047 1.00 0.00 H new ATOM 0 HA TYR A 71 156.497 9.180 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.277 6.641 3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.278 7.960 3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.697 10.356 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.126 6.632 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.929 11.482 0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.359 7.755 -1.125 1.00 0.00 H new ATOM 0 HH TYR A 71 154.907 10.392 -1.899 1.00 0.00 H new ATOM 1006 N PHE A 72 156.076 6.455 6.305 1.00 0.00 N ATOM 1007 CA PHE A 72 155.696 5.966 7.625 1.00 0.00 C ATOM 1008 C PHE A 72 156.641 4.861 8.088 1.00 0.00 C ATOM 1009 O PHE A 72 157.508 4.418 7.337 1.00 0.00 O ATOM 1010 CB PHE A 72 154.258 5.448 7.604 1.00 0.00 C ATOM 1011 CG PHE A 72 153.990 4.464 6.500 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.698 4.904 5.218 1.00 0.00 C ATOM 1013 CD2 PHE A 72 154.029 3.101 6.745 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.452 4.002 4.201 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.783 2.194 5.730 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.494 2.645 4.458 1.00 0.00 C ATOM 0 H PHE A 72 156.482 5.747 5.694 1.00 0.00 H new ATOM 0 HA PHE A 72 155.765 6.796 8.328 1.00 0.00 H new ATOM 0 HB2 PHE A 72 154.036 4.977 8.561 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.578 6.293 7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.662 5.964 5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.254 2.743 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.227 4.357 3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.817 1.134 5.933 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.301 1.938 3.665 1.00 0.00 H new ATOM 1026 N THR A 73 156.464 4.421 9.330 1.00 0.00 N ATOM 1027 CA THR A 73 157.299 3.368 9.893 1.00 0.00 C ATOM 1028 C THR A 73 156.513 2.070 10.043 1.00 0.00 C ATOM 1029 O THR A 73 155.528 2.011 10.779 1.00 0.00 O ATOM 1030 CB THR A 73 157.855 3.800 11.251 1.00 0.00 C ATOM 1031 OG1 THR A 73 158.737 2.819 11.768 1.00 0.00 O ATOM 1032 CG2 THR A 73 156.779 4.043 12.287 1.00 0.00 C ATOM 0 H THR A 73 155.750 4.778 9.965 1.00 0.00 H new ATOM 0 HA THR A 73 158.128 3.192 9.207 1.00 0.00 H new ATOM 0 HB THR A 73 158.376 4.739 11.065 1.00 0.00 H new ATOM 0 HG1 THR A 73 159.083 3.115 12.636 1.00 0.00 H new ATOM 0 HG21 THR A 73 157.241 4.346 13.227 1.00 0.00 H new ATOM 0 HG22 THR A 73 156.111 4.831 11.940 1.00 0.00 H new ATOM 0 HG23 THR A 73 156.209 3.127 12.442 1.00 0.00 H new ATOM 1040 N CYS A 74 156.954 1.031 9.342 1.00 0.00 N ATOM 1041 CA CYS A 74 156.291 -0.267 9.397 1.00 0.00 C ATOM 1042 C CYS A 74 157.312 -1.400 9.369 1.00 0.00 C ATOM 1043 O CYS A 74 158.519 -1.162 9.326 1.00 0.00 O ATOM 1044 CB CYS A 74 155.315 -0.415 8.228 1.00 0.00 C ATOM 1045 SG CYS A 74 153.644 0.174 8.585 1.00 0.00 S ATOM 0 H CYS A 74 157.768 1.062 8.729 1.00 0.00 H new ATOM 0 HA CYS A 74 155.736 -0.325 10.333 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.706 0.132 7.370 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.265 -1.465 7.941 1.00 0.00 H new ATOM 0 HG CYS A 74 153.354 1.162 7.792 1.00 0.00 H new ATOM 1051 N ALA A 75 156.818 -2.634 9.393 1.00 0.00 N ATOM 1052 CA ALA A 75 157.687 -3.805 9.371 1.00 0.00 C ATOM 1053 C ALA A 75 158.283 -4.020 7.984 1.00 0.00 C ATOM 1054 O ALA A 75 157.729 -3.566 6.982 1.00 0.00 O ATOM 1055 CB ALA A 75 156.917 -5.040 9.814 1.00 0.00 C ATOM 0 H ALA A 75 155.821 -2.849 9.428 1.00 0.00 H new ATOM 0 HA ALA A 75 158.508 -3.632 10.067 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.577 -5.907 9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.544 -4.892 10.827 1.00 0.00 H new ATOM 0 HB3 ALA A 75 156.077 -5.207 9.139 1.00 0.00 H new ATOM 1061 N LEU A 76 159.415 -4.714 7.933 1.00 0.00 N ATOM 1062 CA LEU A 76 160.087 -4.989 6.668 1.00 0.00 C ATOM 1063 C LEU A 76 159.292 -5.989 5.836 1.00 0.00 C ATOM 1064 O LEU A 76 158.703 -6.928 6.371 1.00 0.00 O ATOM 1065 CB LEU A 76 161.497 -5.526 6.922 1.00 0.00 C ATOM 1066 CG LEU A 76 162.526 -4.473 7.335 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.556 -5.076 8.278 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.205 -3.884 6.109 1.00 0.00 C ATOM 0 H LEU A 76 159.886 -5.096 8.753 1.00 0.00 H new ATOM 0 HA LEU A 76 160.156 -4.054 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.445 -6.286 7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.849 -6.021 6.017 1.00 0.00 H new ATOM 0 HG LEU A 76 162.008 -3.671 7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.280 -4.313 8.562 1.00 0.00 H new ATOM 0 HD12 LEU A 76 163.056 -5.452 9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 76 164.071 -5.897 7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.934 -3.136 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.711 -4.676 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.457 -3.416 5.468 1.00 0.00 H new ATOM 1080 N LYS A 77 159.280 -5.781 4.523 1.00 0.00 N ATOM 1081 CA LYS A 77 158.557 -6.664 3.615 1.00 0.00 C ATOM 1082 C LYS A 77 157.066 -6.671 3.934 1.00 0.00 C ATOM 1083 O LYS A 77 156.405 -7.706 3.838 1.00 0.00 O ATOM 1084 CB LYS A 77 159.116 -8.086 3.701 1.00 0.00 C ATOM 1085 CG LYS A 77 160.612 -8.168 3.444 1.00 0.00 C ATOM 1086 CD LYS A 77 160.947 -7.836 1.998 1.00 0.00 C ATOM 1087 CE LYS A 77 162.232 -7.030 1.896 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.397 -7.769 2.455 1.00 0.00 N ATOM 0 H LYS A 77 159.763 -5.008 4.064 1.00 0.00 H new ATOM 0 HA LYS A 77 158.690 -6.289 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 77 158.903 -8.492 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.597 -8.716 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.135 -7.479 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 77 160.969 -9.170 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.048 -8.758 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.127 -7.273 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.425 -6.785 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 77 162.112 -6.086 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.264 -7.215 2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.255 -7.921 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 163.487 -8.688 1.977 1.00 0.00 H new ATOM 1102 N LYS A 78 156.541 -5.511 4.313 1.00 0.00 N ATOM 1103 CA LYS A 78 155.127 -5.382 4.646 1.00 0.00 C ATOM 1104 C LYS A 78 154.606 -3.995 4.282 1.00 0.00 C ATOM 1105 O LYS A 78 153.800 -3.414 5.007 1.00 0.00 O ATOM 1106 CB LYS A 78 154.906 -5.649 6.136 1.00 0.00 C ATOM 1107 CG LYS A 78 155.398 -7.014 6.589 1.00 0.00 C ATOM 1108 CD LYS A 78 155.107 -7.251 8.062 1.00 0.00 C ATOM 1109 CE LYS A 78 153.901 -8.157 8.253 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.055 -7.722 9.398 1.00 0.00 N ATOM 0 H LYS A 78 157.074 -4.645 4.397 1.00 0.00 H new ATOM 0 HA LYS A 78 154.574 -6.121 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.415 -4.878 6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.842 -5.563 6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 78 154.919 -7.791 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.471 -7.092 6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.979 -7.699 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.928 -6.296 8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.303 -8.162 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.238 -9.180 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.209 -8.324 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.597 -7.806 10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.767 -6.732 9.261 1.00 0.00 H new ATOM 1124 N ALA A 79 155.073 -3.472 3.153 1.00 0.00 N ATOM 1125 CA ALA A 79 154.655 -2.153 2.692 1.00 0.00 C ATOM 1126 C ALA A 79 154.517 -2.120 1.174 1.00 0.00 C ATOM 1127 O ALA A 79 155.505 -1.978 0.454 1.00 0.00 O ATOM 1128 CB ALA A 79 155.643 -1.094 3.158 1.00 0.00 C ATOM 0 H ALA A 79 155.741 -3.941 2.541 1.00 0.00 H new ATOM 0 HA ALA A 79 153.678 -1.937 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.319 -0.114 2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.688 -1.093 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.631 -1.315 2.754 1.00 0.00 H new ATOM 1134 N LEU A 80 153.284 -2.253 0.695 1.00 0.00 N ATOM 1135 CA LEU A 80 153.016 -2.239 -0.738 1.00 0.00 C ATOM 1136 C LEU A 80 152.228 -0.993 -1.131 1.00 0.00 C ATOM 1137 O LEU A 80 151.021 -0.912 -0.900 1.00 0.00 O ATOM 1138 CB LEU A 80 152.243 -3.495 -1.146 1.00 0.00 C ATOM 1139 CG LEU A 80 151.860 -3.568 -2.625 1.00 0.00 C ATOM 1140 CD1 LEU A 80 152.992 -4.173 -3.440 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.582 -4.372 -2.804 1.00 0.00 C ATOM 0 H LEU A 80 152.456 -2.372 1.278 1.00 0.00 H new ATOM 0 HA LEU A 80 153.972 -2.223 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.845 -4.370 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.334 -3.554 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 80 151.682 -2.555 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.701 -4.217 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.885 -3.557 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.202 -5.180 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.324 -4.414 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 80 150.733 -5.383 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 80 149.772 -3.896 -2.252 1.00 0.00 H new ATOM 1153 N PHE A 81 152.918 -0.024 -1.724 1.00 0.00 N ATOM 1154 CA PHE A 81 152.282 1.217 -2.148 1.00 0.00 C ATOM 1155 C PHE A 81 151.414 0.992 -3.380 1.00 0.00 C ATOM 1156 O PHE A 81 151.765 0.211 -4.266 1.00 0.00 O ATOM 1157 CB PHE A 81 153.338 2.283 -2.442 1.00 0.00 C ATOM 1158 CG PHE A 81 154.088 2.738 -1.222 1.00 0.00 C ATOM 1159 CD1 PHE A 81 153.620 3.795 -0.458 1.00 0.00 C ATOM 1160 CD2 PHE A 81 155.262 2.108 -0.840 1.00 0.00 C ATOM 1161 CE1 PHE A 81 154.307 4.216 0.663 1.00 0.00 C ATOM 1162 CE2 PHE A 81 155.954 2.524 0.282 1.00 0.00 C ATOM 1163 CZ PHE A 81 155.476 3.580 1.035 1.00 0.00 C ATOM 0 H PHE A 81 153.917 -0.075 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 81 151.644 1.563 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 81 154.048 1.889 -3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.855 3.144 -2.903 1.00 0.00 H new ATOM 0 HD1 PHE A 81 152.706 4.296 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 81 155.640 1.283 -1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 81 153.931 5.042 1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 81 156.867 2.024 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 81 156.015 3.907 1.912 1.00 0.00 H new ATOM 1173 N VAL A 82 150.279 1.680 -3.431 1.00 0.00 N ATOM 1174 CA VAL A 82 149.360 1.560 -4.554 1.00 0.00 C ATOM 1175 C VAL A 82 148.457 2.783 -4.654 1.00 0.00 C ATOM 1176 O VAL A 82 148.391 3.594 -3.730 1.00 0.00 O ATOM 1177 CB VAL A 82 148.483 0.299 -4.436 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.314 -0.953 -4.669 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.799 0.250 -3.079 1.00 0.00 C ATOM 0 H VAL A 82 149.974 2.328 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 82 149.971 1.483 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 82 147.711 0.342 -5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.678 -1.834 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.751 -0.919 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.110 -1.005 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.184 -0.647 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.553 0.231 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.169 1.131 -2.957 1.00 0.00 H new ATOM 1189 N LYS A 83 147.768 2.913 -5.780 1.00 0.00 N ATOM 1190 CA LYS A 83 146.872 4.040 -6.002 1.00 0.00 C ATOM 1191 C LYS A 83 145.593 3.895 -5.186 1.00 0.00 C ATOM 1192 O LYS A 83 144.905 2.877 -5.259 1.00 0.00 O ATOM 1193 CB LYS A 83 146.539 4.163 -7.488 1.00 0.00 C ATOM 1194 CG LYS A 83 147.683 4.726 -8.314 1.00 0.00 C ATOM 1195 CD LYS A 83 147.295 4.875 -9.778 1.00 0.00 C ATOM 1196 CE LYS A 83 148.101 3.940 -10.665 1.00 0.00 C ATOM 1197 NZ LYS A 83 147.243 3.255 -11.671 1.00 0.00 N ATOM 0 H LYS A 83 147.813 2.251 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 83 147.381 4.947 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 83 146.269 3.181 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.665 4.803 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.978 5.696 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.550 4.070 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 83 146.232 4.665 -9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 83 147.454 5.906 -10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 83 148.880 4.506 -11.176 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.602 3.195 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 147.829 2.626 -12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 146.515 2.695 -11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 146.785 3.965 -12.277 1.00 0.00 H new ATOM 1211 N LEU A 84 145.285 4.925 -4.406 1.00 0.00 N ATOM 1212 CA LEU A 84 144.093 4.931 -3.566 1.00 0.00 C ATOM 1213 C LEU A 84 142.838 4.649 -4.389 1.00 0.00 C ATOM 1214 O LEU A 84 141.964 3.893 -3.964 1.00 0.00 O ATOM 1215 CB LEU A 84 143.962 6.281 -2.858 1.00 0.00 C ATOM 1216 CG LEU A 84 142.694 6.455 -2.019 1.00 0.00 C ATOM 1217 CD1 LEU A 84 142.804 5.676 -0.718 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.439 7.929 -1.741 1.00 0.00 C ATOM 0 H LEU A 84 145.849 5.772 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 84 144.196 4.140 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 84 144.828 6.420 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 84 143.994 7.071 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 84 141.849 6.060 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 84 141.893 5.812 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 84 142.939 4.617 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.658 6.040 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.534 8.035 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.285 8.348 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.316 8.461 -2.684 1.00 0.00 H new ATOM 1230 N LYS A 85 142.757 5.261 -5.565 1.00 0.00 N ATOM 1231 CA LYS A 85 141.609 5.075 -6.444 1.00 0.00 C ATOM 1232 C LYS A 85 141.506 3.625 -6.914 1.00 0.00 C ATOM 1233 O LYS A 85 140.431 3.163 -7.297 1.00 0.00 O ATOM 1234 CB LYS A 85 141.705 6.009 -7.652 1.00 0.00 C ATOM 1235 CG LYS A 85 142.906 5.733 -8.542 1.00 0.00 C ATOM 1236 CD LYS A 85 142.926 6.656 -9.750 1.00 0.00 C ATOM 1237 CE LYS A 85 144.334 6.833 -10.293 1.00 0.00 C ATOM 1238 NZ LYS A 85 145.199 7.606 -9.359 1.00 0.00 N ATOM 0 H LYS A 85 143.472 5.890 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 85 140.710 5.317 -5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 85 140.795 5.917 -8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 85 141.753 7.040 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.823 5.863 -7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.883 4.696 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 85 142.283 6.250 -10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 85 142.517 7.628 -9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 85 144.779 5.854 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 85 144.290 7.345 -11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 145.993 8.022 -9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.641 8.364 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 145.567 6.972 -8.621 1.00 0.00 H new ATOM 1252 N SER A 86 142.628 2.912 -6.880 1.00 0.00 N ATOM 1253 CA SER A 86 142.658 1.516 -7.302 1.00 0.00 C ATOM 1254 C SER A 86 142.572 0.581 -6.100 1.00 0.00 C ATOM 1255 O SER A 86 143.096 -0.532 -6.129 1.00 0.00 O ATOM 1256 CB SER A 86 143.933 1.229 -8.096 1.00 0.00 C ATOM 1257 OG SER A 86 143.882 1.831 -9.379 1.00 0.00 O ATOM 0 H SER A 86 143.527 3.277 -6.565 1.00 0.00 H new ATOM 0 HA SER A 86 141.793 1.337 -7.940 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.798 1.604 -7.549 1.00 0.00 H new ATOM 0 HB3 SER A 86 144.065 0.152 -8.201 1.00 0.00 H new ATOM 0 HG SER A 86 144.709 1.634 -9.866 1.00 0.00 H new ATOM 1263 N CYS A 87 141.909 1.041 -5.043 1.00 0.00 N ATOM 1264 CA CYS A 87 141.754 0.245 -3.831 1.00 0.00 C ATOM 1265 C CYS A 87 140.287 -0.085 -3.581 1.00 0.00 C ATOM 1266 O CYS A 87 139.398 0.455 -4.240 1.00 0.00 O ATOM 1267 CB CYS A 87 142.334 0.991 -2.628 1.00 0.00 C ATOM 1268 SG CYS A 87 144.132 0.871 -2.480 1.00 0.00 S ATOM 0 H CYS A 87 141.471 1.961 -5.002 1.00 0.00 H new ATOM 0 HA CYS A 87 142.299 -0.689 -3.967 1.00 0.00 H new ATOM 0 HB2 CYS A 87 142.056 2.043 -2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.879 0.600 -1.718 1.00 0.00 H new ATOM 0 HG CYS A 87 144.692 1.554 -3.433 1.00 0.00 H new ATOM 1274 N ARG A 88 140.038 -0.975 -2.625 1.00 0.00 N ATOM 1275 CA ARG A 88 138.677 -1.376 -2.290 1.00 0.00 C ATOM 1276 C ARG A 88 138.516 -1.547 -0.779 1.00 0.00 C ATOM 1277 O ARG A 88 139.430 -2.015 -0.100 1.00 0.00 O ATOM 1278 CB ARG A 88 138.316 -2.679 -3.006 1.00 0.00 C ATOM 1279 CG ARG A 88 136.957 -2.642 -3.687 1.00 0.00 C ATOM 1280 CD ARG A 88 136.152 -3.901 -3.401 1.00 0.00 C ATOM 1281 NE ARG A 88 136.210 -4.851 -4.511 1.00 0.00 N ATOM 1282 CZ ARG A 88 135.562 -4.684 -5.662 1.00 0.00 C ATOM 1283 NH1 ARG A 88 134.809 -3.609 -5.860 1.00 0.00 N ATOM 1284 NH2 ARG A 88 135.669 -5.596 -6.620 1.00 0.00 N ATOM 0 H ARG A 88 140.761 -1.432 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 88 138.000 -0.589 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 88 139.081 -2.898 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 88 138.330 -3.496 -2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 88 136.402 -1.769 -3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.092 -2.532 -4.763 1.00 0.00 H new ATOM 0 HD2 ARG A 88 136.531 -4.376 -2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.114 -3.632 -3.208 1.00 0.00 H new ATOM 0 HE ARG A 88 136.779 -5.690 -4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 88 134.724 -2.904 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 88 134.316 -3.488 -6.744 1.00 0.00 H new ATOM 0 HH21 ARG A 88 136.247 -6.424 -6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 88 135.173 -5.469 -7.502 1.00 0.00 H new ATOM 1298 N PRO A 89 137.347 -1.171 -0.232 1.00 0.00 N ATOM 1299 CA PRO A 89 137.076 -1.289 1.206 1.00 0.00 C ATOM 1300 C PRO A 89 137.299 -2.706 1.721 1.00 0.00 C ATOM 1301 O PRO A 89 136.768 -3.669 1.167 1.00 0.00 O ATOM 1302 CB PRO A 89 135.598 -0.903 1.328 1.00 0.00 C ATOM 1303 CG PRO A 89 135.324 -0.061 0.130 1.00 0.00 C ATOM 1304 CD PRO A 89 136.200 -0.603 -0.964 1.00 0.00 C ATOM 0 HA PRO A 89 137.742 -0.661 1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.959 -1.786 1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.408 -0.353 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.272 -0.112 -0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.551 0.987 0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.684 -1.361 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.512 0.180 -1.655 1.00 0.00 H new ATOM 1312 N ASP A 90 138.086 -2.827 2.785 1.00 0.00 N ATOM 1313 CA ASP A 90 138.377 -4.128 3.376 1.00 0.00 C ATOM 1314 C ASP A 90 137.565 -4.341 4.650 1.00 0.00 C ATOM 1315 O ASP A 90 137.724 -3.612 5.629 1.00 0.00 O ATOM 1316 CB ASP A 90 139.871 -4.249 3.684 1.00 0.00 C ATOM 1317 CG ASP A 90 140.326 -5.692 3.778 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.619 -6.574 3.247 1.00 0.00 O ATOM 1319 OD2 ASP A 90 141.391 -5.940 4.383 1.00 0.00 O ATOM 0 H ASP A 90 138.533 -2.040 3.255 1.00 0.00 H new ATOM 0 HA ASP A 90 138.098 -4.897 2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.442 -3.741 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 90 140.088 -3.740 4.623 1.00 0.00 H new ATOM 1324 N SER A 91 136.693 -5.344 4.629 1.00 0.00 N ATOM 1325 CA SER A 91 135.856 -5.653 5.782 1.00 0.00 C ATOM 1326 C SER A 91 136.446 -6.804 6.591 1.00 0.00 C ATOM 1327 O SER A 91 135.716 -7.595 7.188 1.00 0.00 O ATOM 1328 CB SER A 91 134.438 -6.007 5.329 1.00 0.00 C ATOM 1329 OG SER A 91 133.484 -5.649 6.314 1.00 0.00 O ATOM 0 H SER A 91 136.548 -5.956 3.826 1.00 0.00 H new ATOM 0 HA SER A 91 135.817 -4.769 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 91 134.212 -5.492 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 91 134.373 -7.076 5.127 1.00 0.00 H new ATOM 0 HG SER A 91 132.586 -5.884 6.000 1.00 0.00 H new ATOM 1335 N ARG A 92 137.772 -6.891 6.606 1.00 0.00 N ATOM 1336 CA ARG A 92 138.461 -7.945 7.342 1.00 0.00 C ATOM 1337 C ARG A 92 138.240 -7.794 8.843 1.00 0.00 C ATOM 1338 O ARG A 92 138.202 -8.781 9.578 1.00 0.00 O ATOM 1339 CB ARG A 92 139.957 -7.921 7.029 1.00 0.00 C ATOM 1340 CG ARG A 92 140.331 -8.699 5.777 1.00 0.00 C ATOM 1341 CD ARG A 92 141.095 -9.970 6.115 1.00 0.00 C ATOM 1342 NE ARG A 92 140.212 -11.130 6.208 1.00 0.00 N ATOM 1343 CZ ARG A 92 140.636 -12.390 6.142 1.00 0.00 C ATOM 1344 NH1 ARG A 92 141.927 -12.656 5.982 1.00 0.00 N ATOM 1345 NH2 ARG A 92 139.767 -13.388 6.238 1.00 0.00 N ATOM 0 H ARG A 92 138.391 -6.244 6.117 1.00 0.00 H new ATOM 0 HA ARG A 92 138.048 -8.903 7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 92 140.279 -6.886 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 92 140.504 -8.331 7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 92 139.428 -8.953 5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 92 140.939 -8.071 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 92 141.853 -10.151 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 92 141.620 -9.837 7.061 1.00 0.00 H new ATOM 0 HE ARG A 92 139.213 -10.965 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 92 142.600 -11.893 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 92 142.246 -13.624 5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 92 138.774 -13.190 6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 92 140.092 -14.354 6.187 1.00 0.00 H new ATOM 1359 N PHE A 93 138.095 -6.552 9.292 1.00 0.00 N ATOM 1360 CA PHE A 93 137.878 -6.270 10.707 1.00 0.00 C ATOM 1361 C PHE A 93 136.754 -5.258 10.894 1.00 0.00 C ATOM 1362 O PHE A 93 136.768 -4.466 11.837 1.00 0.00 O ATOM 1363 CB PHE A 93 139.165 -5.746 11.347 1.00 0.00 C ATOM 1364 CG PHE A 93 140.198 -6.812 11.578 1.00 0.00 C ATOM 1365 CD1 PHE A 93 140.980 -7.275 10.532 1.00 0.00 C ATOM 1366 CD2 PHE A 93 140.387 -7.349 12.840 1.00 0.00 C ATOM 1367 CE1 PHE A 93 141.932 -8.255 10.741 1.00 0.00 C ATOM 1368 CE2 PHE A 93 141.338 -8.329 13.057 1.00 0.00 C ATOM 1369 CZ PHE A 93 142.111 -8.783 12.005 1.00 0.00 C ATOM 0 H PHE A 93 138.124 -5.724 8.697 1.00 0.00 H new ATOM 0 HA PHE A 93 137.589 -7.200 11.197 1.00 0.00 H new ATOM 0 HB2 PHE A 93 139.590 -4.972 10.708 1.00 0.00 H new ATOM 0 HB3 PHE A 93 138.922 -5.275 12.299 1.00 0.00 H new ATOM 0 HD1 PHE A 93 140.844 -6.865 9.542 1.00 0.00 H new ATOM 0 HD2 PHE A 93 139.784 -6.998 13.665 1.00 0.00 H new ATOM 0 HE1 PHE A 93 142.535 -8.607 9.917 1.00 0.00 H new ATOM 0 HE2 PHE A 93 141.477 -8.739 14.047 1.00 0.00 H new ATOM 0 HZ PHE A 93 142.854 -9.549 12.171 1.00 0.00 H new ATOM 1379 N ALA A 94 135.781 -5.288 9.989 1.00 0.00 N ATOM 1380 CA ALA A 94 134.648 -4.371 10.055 1.00 0.00 C ATOM 1381 C ALA A 94 133.700 -4.751 11.186 1.00 0.00 C ATOM 1382 O ALA A 94 133.394 -5.927 11.385 1.00 0.00 O ATOM 1383 CB ALA A 94 133.907 -4.352 8.726 1.00 0.00 C ATOM 0 H ALA A 94 135.754 -5.936 9.202 1.00 0.00 H new ATOM 0 HA ALA A 94 135.032 -3.371 10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 94 133.064 -3.664 8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 94 134.584 -4.025 7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 94 133.542 -5.353 8.499 1.00 0.00 H new ATOM 1389 N SER A 95 133.237 -3.748 11.925 1.00 0.00 N ATOM 1390 CA SER A 95 132.321 -3.978 13.038 1.00 0.00 C ATOM 1391 C SER A 95 130.877 -4.031 12.551 1.00 0.00 C ATOM 1392 O SER A 95 130.505 -3.343 11.600 1.00 0.00 O ATOM 1393 CB SER A 95 132.478 -2.878 14.088 1.00 0.00 C ATOM 1394 OG SER A 95 133.833 -2.484 14.216 1.00 0.00 O ATOM 0 H SER A 95 133.480 -2.769 11.774 1.00 0.00 H new ATOM 0 HA SER A 95 132.568 -4.939 13.489 1.00 0.00 H new ATOM 0 HB2 SER A 95 131.870 -2.017 13.810 1.00 0.00 H new ATOM 0 HB3 SER A 95 132.107 -3.233 15.049 1.00 0.00 H new ATOM 0 HG SER A 95 133.906 -1.778 14.892 1.00 0.00 H new ATOM 1400 N LEU A 96 130.066 -4.852 13.209 1.00 0.00 N ATOM 1401 CA LEU A 96 128.660 -4.995 12.845 1.00 0.00 C ATOM 1402 C LEU A 96 127.765 -4.247 13.824 1.00 0.00 C ATOM 1403 O LEU A 96 127.065 -3.306 13.451 1.00 0.00 O ATOM 1404 CB LEU A 96 128.270 -6.474 12.803 1.00 0.00 C ATOM 1405 CG LEU A 96 126.904 -6.765 12.181 1.00 0.00 C ATOM 1406 CD1 LEU A 96 127.029 -6.940 10.676 1.00 0.00 C ATOM 1407 CD2 LEU A 96 126.283 -8.001 12.814 1.00 0.00 C ATOM 0 H LEU A 96 130.358 -5.429 13.998 1.00 0.00 H new ATOM 0 HA LEU A 96 128.522 -4.563 11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 96 129.031 -7.019 12.244 1.00 0.00 H new ATOM 0 HB3 LEU A 96 128.280 -6.866 13.820 1.00 0.00 H new ATOM 0 HG LEU A 96 126.250 -5.915 12.374 1.00 0.00 H new ATOM 0 HD11 LEU A 96 126.047 -7.146 10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 96 127.430 -6.027 10.236 1.00 0.00 H new ATOM 0 HD13 LEU A 96 127.700 -7.772 10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 96 125.311 -8.193 12.359 1.00 0.00 H new ATOM 0 HD22 LEU A 96 126.935 -8.859 12.653 1.00 0.00 H new ATOM 0 HD23 LEU A 96 126.157 -7.837 13.884 1.00 0.00 H new ATOM 1419 N GLN A 97 127.795 -4.677 15.078 1.00 0.00 N ATOM 1420 CA GLN A 97 126.988 -4.054 16.120 1.00 0.00 C ATOM 1421 C GLN A 97 125.500 -4.158 15.795 1.00 0.00 C ATOM 1422 O GLN A 97 124.887 -3.195 15.336 1.00 0.00 O ATOM 1423 CB GLN A 97 127.383 -2.585 16.292 1.00 0.00 C ATOM 1424 CG GLN A 97 128.660 -2.387 17.092 1.00 0.00 C ATOM 1425 CD GLN A 97 128.551 -2.923 18.506 1.00 0.00 C ATOM 1426 OE1 GLN A 97 127.475 -3.328 18.947 1.00 0.00 O ATOM 1427 NE2 GLN A 97 129.668 -2.927 19.224 1.00 0.00 N ATOM 0 H GLN A 97 128.370 -5.456 15.399 1.00 0.00 H new ATOM 0 HA GLN A 97 127.175 -4.585 17.053 1.00 0.00 H new ATOM 0 HB2 GLN A 97 127.507 -2.133 15.308 1.00 0.00 H new ATOM 0 HB3 GLN A 97 126.569 -2.054 16.786 1.00 0.00 H new ATOM 0 HG2 GLN A 97 129.485 -2.884 16.582 1.00 0.00 H new ATOM 0 HG3 GLN A 97 128.901 -1.325 17.128 1.00 0.00 H new ATOM 0 HE21 GLN A 97 130.537 -2.582 18.817 1.00 0.00 H new ATOM 0 HE22 GLN A 97 129.657 -3.276 20.183 1.00 0.00 H new ATOM 1436 N PRO A 98 124.898 -5.338 16.027 1.00 0.00 N ATOM 1437 CA PRO A 98 123.475 -5.564 15.756 1.00 0.00 C ATOM 1438 C PRO A 98 122.587 -4.511 16.408 1.00 0.00 C ATOM 1439 O PRO A 98 122.406 -4.502 17.625 1.00 0.00 O ATOM 1440 CB PRO A 98 123.209 -6.941 16.370 1.00 0.00 C ATOM 1441 CG PRO A 98 124.533 -7.622 16.362 1.00 0.00 C ATOM 1442 CD PRO A 98 125.556 -6.540 16.573 1.00 0.00 C ATOM 0 HA PRO A 98 123.250 -5.507 14.691 1.00 0.00 H new ATOM 0 HB2 PRO A 98 122.815 -6.853 17.383 1.00 0.00 H new ATOM 0 HB3 PRO A 98 122.474 -7.498 15.789 1.00 0.00 H new ATOM 0 HG2 PRO A 98 124.591 -8.373 17.150 1.00 0.00 H new ATOM 0 HG3 PRO A 98 124.701 -8.139 15.417 1.00 0.00 H new ATOM 0 HD2 PRO A 98 125.802 -6.419 17.628 1.00 0.00 H new ATOM 0 HD3 PRO A 98 126.488 -6.760 16.052 1.00 0.00 H new ATOM 1450 N SER A 99 122.033 -3.622 15.588 1.00 0.00 N ATOM 1451 CA SER A 99 121.163 -2.563 16.086 1.00 0.00 C ATOM 1452 C SER A 99 120.011 -2.306 15.120 1.00 0.00 C ATOM 1453 O SER A 99 118.848 -2.269 15.521 1.00 0.00 O ATOM 1454 CB SER A 99 121.962 -1.275 16.299 1.00 0.00 C ATOM 1455 OG SER A 99 122.453 -1.192 17.625 1.00 0.00 O ATOM 0 H SER A 99 122.171 -3.615 14.577 1.00 0.00 H new ATOM 0 HA SER A 99 120.748 -2.887 17.040 1.00 0.00 H new ATOM 0 HB2 SER A 99 122.795 -1.240 15.597 1.00 0.00 H new ATOM 0 HB3 SER A 99 121.330 -0.412 16.087 1.00 0.00 H new ATOM 0 HG SER A 99 122.961 -0.361 17.734 1.00 0.00 H new ATOM 1461 N GLY A 100 120.343 -2.127 13.845 1.00 0.00 N ATOM 1462 CA GLY A 100 119.326 -1.877 12.843 1.00 0.00 C ATOM 1463 C GLY A 100 119.250 -0.413 12.447 1.00 0.00 C ATOM 1464 O GLY A 100 120.253 0.297 12.497 1.00 0.00 O ATOM 0 H GLY A 100 121.299 -2.151 13.489 1.00 0.00 H new ATOM 0 HA2 GLY A 100 119.535 -2.479 11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 100 118.357 -2.198 13.225 1.00 0.00 H new ATOM 1468 N PRO A 101 118.061 0.071 12.047 1.00 0.00 N ATOM 1469 CA PRO A 101 117.873 1.468 11.642 1.00 0.00 C ATOM 1470 C PRO A 101 117.984 2.431 12.820 1.00 0.00 C ATOM 1471 O PRO A 101 118.008 2.012 13.977 1.00 0.00 O ATOM 1472 CB PRO A 101 116.454 1.486 11.070 1.00 0.00 C ATOM 1473 CG PRO A 101 115.761 0.350 11.740 1.00 0.00 C ATOM 1474 CD PRO A 101 116.810 -0.705 11.956 1.00 0.00 C ATOM 0 HA PRO A 101 118.635 1.793 10.934 1.00 0.00 H new ATOM 0 HB2 PRO A 101 115.955 2.432 11.278 1.00 0.00 H new ATOM 0 HB3 PRO A 101 116.462 1.362 9.987 1.00 0.00 H new ATOM 0 HG2 PRO A 101 115.323 0.664 12.687 1.00 0.00 H new ATOM 0 HG3 PRO A 101 114.947 -0.030 11.122 1.00 0.00 H new ATOM 0 HD2 PRO A 101 116.624 -1.276 12.866 1.00 0.00 H new ATOM 0 HD3 PRO A 101 116.838 -1.418 11.132 1.00 0.00 H new ATOM 1482 N SER A 102 118.051 3.723 12.516 1.00 0.00 N ATOM 1483 CA SER A 102 118.160 4.747 13.549 1.00 0.00 C ATOM 1484 C SER A 102 116.884 5.579 13.625 1.00 0.00 C ATOM 1485 O SER A 102 116.301 5.744 14.697 1.00 0.00 O ATOM 1486 CB SER A 102 119.359 5.655 13.274 1.00 0.00 C ATOM 1487 OG SER A 102 120.529 5.162 13.906 1.00 0.00 O ATOM 0 H SER A 102 118.032 4.086 11.563 1.00 0.00 H new ATOM 0 HA SER A 102 118.305 4.247 14.507 1.00 0.00 H new ATOM 0 HB2 SER A 102 119.525 5.727 12.199 1.00 0.00 H new ATOM 0 HB3 SER A 102 119.146 6.662 13.632 1.00 0.00 H new ATOM 0 HG SER A 102 121.281 5.760 13.713 1.00 0.00 H new ATOM 1493 N SER A 103 116.457 6.103 12.480 1.00 0.00 N ATOM 1494 CA SER A 103 115.250 6.919 12.416 1.00 0.00 C ATOM 1495 C SER A 103 114.308 6.412 11.330 1.00 0.00 C ATOM 1496 O SER A 103 113.126 6.175 11.581 1.00 0.00 O ATOM 1497 CB SER A 103 115.612 8.382 12.152 1.00 0.00 C ATOM 1498 OG SER A 103 114.760 9.256 12.872 1.00 0.00 O ATOM 0 H SER A 103 116.929 5.977 11.585 1.00 0.00 H new ATOM 0 HA SER A 103 114.740 6.846 13.377 1.00 0.00 H new ATOM 0 HB2 SER A 103 116.648 8.561 12.439 1.00 0.00 H new ATOM 0 HB3 SER A 103 115.536 8.592 11.085 1.00 0.00 H new ATOM 0 HG SER A 103 115.013 10.185 12.688 1.00 0.00 H new ATOM 1504 N GLY A 104 114.838 6.248 10.122 1.00 0.00 N ATOM 1505 CA GLY A 104 114.030 5.770 9.015 1.00 0.00 C ATOM 1506 C GLY A 104 114.428 4.377 8.566 1.00 0.00 C ATOM 1507 O GLY A 104 113.527 3.529 8.397 1.00 0.00 O ATOM 1508 OXT GLY A 104 115.639 4.137 8.382 1.00 0.00 O ATOM 0 H GLY A 104 115.813 6.438 9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 104 112.981 5.768 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 104 114.124 6.460 8.176 1.00 0.00 H new TER 1512 GLY A 104