USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 853 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 15 THR OG1 : rot -57:sc= -0.857 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -161:sc= -1.74 (180deg=-1.81) USER MOD Set 2.1: A 8 THR OG1 : rot -115:sc= 0.018 USER MOD Set 2.2: A 10 ASN : amide:sc= -2.44! X(o=-2.4!,f=-2.1) USER MOD Single : A 1 CYS N :NH3+ -153:sc= 0.276 (180deg=0.0792) USER MOD Single : A 1 CYS SG : rot 62:sc= 0.81 USER MOD Single : A 3 SER OG : rot 180:sc= -0.727 USER MOD Single : A 5 THR OG1 : rot -85:sc= -1.45 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.106 USER MOD Single : A 13 GLN :FLIP amide:sc= -2.39 F(o=-5.8!,f=-2.4) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -1.25 F(o=-7.2!,f=-1.2) USER MOD Single : A 36 GLN : amide:sc=-0.00402 X(o=-0.004,f=-0.49) USER MOD Single : A 39 GLN :FLIP amide:sc= -6.73! C(o=-7.5!,f=-6.7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 47 ASN : amide:sc= -2.07 K(o=-2.1,f=-5.9!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc=3.18e-05 USER MOD Single : A 66 THR OG1 : rot 89:sc= 0.584 USER MOD Single : A 67 THR OG1 : rot 69:sc= 0.333 USER MOD Single : A 68 MET CE :methyl -155:sc= -0.638 (180deg=-3.38!) USER MOD Single : A 69 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.8!) USER MOD Single : A 70 THR OG1 : rot 55:sc= -1.63 USER MOD Single : A 73 ASN : amide:sc= -1.85 K(o=-1.8,f=-3.1!) USER MOD Single : A 74 SER OG : rot -130:sc= -0.295 USER MOD Single : A 78 TYR OH : rot 0:sc= -2.61 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0877 USER MOD Single : A 81 SER OG : rot -49:sc=0.000442 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.346) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.528 USER MOD Single : A 101 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.34) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 72.674 12.718 14.900 1.00 0.00 N ATOM 2 CA CYS A 1 73.934 13.311 14.372 1.00 0.00 C ATOM 3 C CYS A 1 74.356 12.566 13.110 1.00 0.00 C ATOM 4 O CYS A 1 73.530 11.950 12.435 1.00 0.00 O ATOM 5 CB CYS A 1 75.031 13.202 15.433 1.00 0.00 C ATOM 6 SG CYS A 1 75.367 11.457 15.776 1.00 0.00 S ATOM 0 H1 CYS A 1 72.148 13.439 15.433 1.00 0.00 H new ATOM 0 H2 CYS A 1 72.091 12.379 14.108 1.00 0.00 H new ATOM 0 H3 CYS A 1 72.902 11.921 15.528 1.00 0.00 H new ATOM 0 HA CYS A 1 73.772 14.361 14.130 1.00 0.00 H new ATOM 0 HB2 CYS A 1 75.938 13.697 15.086 1.00 0.00 H new ATOM 0 HB3 CYS A 1 74.721 13.710 16.346 1.00 0.00 H new ATOM 0 HG CYS A 1 75.806 10.880 14.697 1.00 0.00 H new ATOM 14 N ASP A 2 75.647 12.626 12.798 1.00 0.00 N ATOM 15 CA ASP A 2 76.171 11.953 11.614 1.00 0.00 C ATOM 16 C ASP A 2 76.636 10.543 11.961 1.00 0.00 C ATOM 17 O ASP A 2 76.407 10.057 13.069 1.00 0.00 O ATOM 18 CB ASP A 2 77.342 12.750 11.038 1.00 0.00 C ATOM 19 CG ASP A 2 78.100 13.449 12.161 1.00 0.00 C ATOM 20 OD1 ASP A 2 78.851 12.776 12.849 1.00 0.00 O ATOM 21 OD2 ASP A 2 77.919 14.645 12.318 1.00 0.00 O ATOM 0 H ASP A 2 76.346 13.130 13.344 1.00 0.00 H new ATOM 0 HA ASP A 2 75.374 11.888 10.873 1.00 0.00 H new ATOM 0 HB2 ASP A 2 78.013 12.085 10.494 1.00 0.00 H new ATOM 0 HB3 ASP A 2 76.975 13.486 10.323 1.00 0.00 H new ATOM 26 N SER A 3 77.293 9.891 11.006 1.00 0.00 N ATOM 27 CA SER A 3 77.787 8.536 11.222 1.00 0.00 C ATOM 28 C SER A 3 76.650 7.611 11.642 1.00 0.00 C ATOM 29 O SER A 3 75.513 8.052 11.817 1.00 0.00 O ATOM 30 CB SER A 3 78.868 8.543 12.302 1.00 0.00 C ATOM 31 OG SER A 3 79.198 9.887 12.627 1.00 0.00 O ATOM 0 H SER A 3 77.494 10.275 10.083 1.00 0.00 H new ATOM 0 HA SER A 3 78.210 8.169 10.287 1.00 0.00 H new ATOM 0 HB2 SER A 3 78.515 8.018 13.190 1.00 0.00 H new ATOM 0 HB3 SER A 3 79.754 8.014 11.950 1.00 0.00 H new ATOM 0 HG SER A 3 79.890 9.895 13.321 1.00 0.00 H new ATOM 37 N GLY A 4 76.960 6.329 11.803 1.00 0.00 N ATOM 38 CA GLY A 4 75.951 5.355 12.203 1.00 0.00 C ATOM 39 C GLY A 4 75.447 4.565 10.998 1.00 0.00 C ATOM 40 O GLY A 4 75.297 5.114 9.906 1.00 0.00 O ATOM 0 H GLY A 4 77.894 5.942 11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 76.372 4.672 12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 4 75.116 5.866 12.682 1.00 0.00 H new ATOM 44 N THR A 5 75.187 3.276 11.201 1.00 0.00 N ATOM 45 CA THR A 5 74.700 2.429 10.118 1.00 0.00 C ATOM 46 C THR A 5 73.776 1.340 10.653 1.00 0.00 C ATOM 47 O THR A 5 73.659 1.148 11.863 1.00 0.00 O ATOM 48 CB THR A 5 75.878 1.786 9.377 1.00 0.00 C ATOM 49 OG1 THR A 5 77.052 2.554 9.609 1.00 0.00 O ATOM 50 CG2 THR A 5 75.573 1.758 7.878 1.00 0.00 C ATOM 0 H THR A 5 75.304 2.800 12.095 1.00 0.00 H new ATOM 0 HA THR A 5 74.137 3.056 9.426 1.00 0.00 H new ATOM 0 HB THR A 5 76.032 0.769 9.737 1.00 0.00 H new ATOM 0 HG1 THR A 5 77.092 3.293 8.966 1.00 0.00 H new ATOM 0 HG21 THR A 5 76.407 1.302 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 5 74.668 1.176 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 5 75.426 2.776 7.518 1.00 0.00 H new ATOM 58 N GLY A 6 73.122 0.629 9.741 1.00 0.00 N ATOM 59 CA GLY A 6 72.215 -0.442 10.131 1.00 0.00 C ATOM 60 C GLY A 6 72.917 -1.791 10.051 1.00 0.00 C ATOM 61 O GLY A 6 72.281 -2.842 10.141 1.00 0.00 O ATOM 0 H GLY A 6 73.202 0.774 8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 6 71.857 -0.271 11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 6 71.341 -0.441 9.480 1.00 0.00 H new ATOM 65 N LEU A 7 74.236 -1.751 9.882 1.00 0.00 N ATOM 66 CA LEU A 7 75.024 -2.975 9.790 1.00 0.00 C ATOM 67 C LEU A 7 74.465 -4.030 10.739 1.00 0.00 C ATOM 68 O LEU A 7 74.103 -3.727 11.875 1.00 0.00 O ATOM 69 CB LEU A 7 76.490 -2.680 10.140 1.00 0.00 C ATOM 70 CG LEU A 7 77.332 -2.502 8.861 1.00 0.00 C ATOM 71 CD1 LEU A 7 77.631 -3.869 8.236 1.00 0.00 C ATOM 72 CD2 LEU A 7 76.575 -1.639 7.846 1.00 0.00 C ATOM 0 H LEU A 7 74.778 -0.890 9.806 1.00 0.00 H new ATOM 0 HA LEU A 7 74.971 -3.354 8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 7 76.549 -1.778 10.748 1.00 0.00 H new ATOM 0 HB3 LEU A 7 76.897 -3.495 10.738 1.00 0.00 H new ATOM 0 HG LEU A 7 78.268 -2.010 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 7 78.226 -3.734 7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 7 78.185 -4.481 8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 7 76.695 -4.366 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 7 77.180 -1.520 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 7 75.633 -2.122 7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 7 76.374 -0.660 8.280 1.00 0.00 H new ATOM 84 N THR A 8 74.391 -5.269 10.263 1.00 0.00 N ATOM 85 CA THR A 8 73.863 -6.358 11.078 1.00 0.00 C ATOM 86 C THR A 8 74.995 -7.202 11.655 1.00 0.00 C ATOM 87 O THR A 8 75.171 -7.272 12.872 1.00 0.00 O ATOM 88 CB THR A 8 72.944 -7.246 10.235 1.00 0.00 C ATOM 89 OG1 THR A 8 73.200 -8.611 10.538 1.00 0.00 O ATOM 90 CG2 THR A 8 73.203 -6.995 8.749 1.00 0.00 C ATOM 0 H THR A 8 74.687 -5.543 9.326 1.00 0.00 H new ATOM 0 HA THR A 8 73.296 -5.922 11.901 1.00 0.00 H new ATOM 0 HB THR A 8 71.905 -7.010 10.463 1.00 0.00 H new ATOM 0 HG1 THR A 8 73.561 -9.060 9.745 1.00 0.00 H new ATOM 0 HG21 THR A 8 72.547 -7.629 8.153 1.00 0.00 H new ATOM 0 HG22 THR A 8 73.005 -5.949 8.517 1.00 0.00 H new ATOM 0 HG23 THR A 8 74.242 -7.228 8.516 1.00 0.00 H new ATOM 98 N GLY A 9 75.756 -7.841 10.776 1.00 0.00 N ATOM 99 CA GLY A 9 76.868 -8.677 11.211 1.00 0.00 C ATOM 100 C GLY A 9 76.950 -9.956 10.382 1.00 0.00 C ATOM 101 O GLY A 9 76.942 -11.060 10.927 1.00 0.00 O ATOM 0 H GLY A 9 75.626 -7.798 9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 9 77.802 -8.121 11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 9 76.747 -8.930 12.264 1.00 0.00 H new ATOM 105 N ASN A 10 77.035 -9.800 9.066 1.00 0.00 N ATOM 106 CA ASN A 10 77.123 -10.951 8.174 1.00 0.00 C ATOM 107 C ASN A 10 78.580 -11.258 7.839 1.00 0.00 C ATOM 108 O ASN A 10 79.457 -11.154 8.695 1.00 0.00 O ATOM 109 CB ASN A 10 76.345 -10.675 6.886 1.00 0.00 C ATOM 110 CG ASN A 10 75.060 -9.920 7.206 1.00 0.00 C ATOM 111 OD1 ASN A 10 74.364 -10.257 8.163 1.00 0.00 O ATOM 112 ND2 ASN A 10 74.703 -8.911 6.458 1.00 0.00 N ATOM 0 H ASN A 10 77.045 -8.895 8.595 1.00 0.00 H new ATOM 0 HA ASN A 10 76.690 -11.814 8.679 1.00 0.00 H new ATOM 0 HB2 ASN A 10 76.958 -10.092 6.199 1.00 0.00 H new ATOM 0 HB3 ASN A 10 76.110 -11.614 6.385 1.00 0.00 H new ATOM 0 HD21 ASN A 10 73.845 -8.400 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 10 75.282 -8.634 5.665 1.00 0.00 H new ATOM 119 N TYR A 11 78.830 -11.636 6.589 1.00 0.00 N ATOM 120 CA TYR A 11 80.187 -11.953 6.155 1.00 0.00 C ATOM 121 C TYR A 11 80.370 -11.622 4.677 1.00 0.00 C ATOM 122 O TYR A 11 80.375 -10.454 4.291 1.00 0.00 O ATOM 123 CB TYR A 11 80.478 -13.437 6.393 1.00 0.00 C ATOM 124 CG TYR A 11 80.556 -13.703 7.877 1.00 0.00 C ATOM 125 CD1 TYR A 11 81.590 -13.142 8.636 1.00 0.00 C ATOM 126 CD2 TYR A 11 79.595 -14.514 8.493 1.00 0.00 C ATOM 127 CE1 TYR A 11 81.661 -13.390 10.013 1.00 0.00 C ATOM 128 CE2 TYR A 11 79.667 -14.762 9.868 1.00 0.00 C ATOM 129 CZ TYR A 11 80.700 -14.201 10.628 1.00 0.00 C ATOM 130 OH TYR A 11 80.770 -14.446 11.985 1.00 0.00 O ATOM 0 H TYR A 11 78.118 -11.730 5.864 1.00 0.00 H new ATOM 0 HA TYR A 11 80.885 -11.350 6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 11 79.696 -14.049 5.944 1.00 0.00 H new ATOM 0 HB3 TYR A 11 81.416 -13.716 5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 11 82.332 -12.518 8.160 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.798 -14.948 7.907 1.00 0.00 H new ATOM 0 HE1 TYR A 11 82.457 -12.956 10.600 1.00 0.00 H new ATOM 0 HE2 TYR A 11 78.925 -15.387 10.343 1.00 0.00 H new ATOM 0 HH TYR A 11 80.027 -15.026 12.251 1.00 0.00 H new ATOM 140 N SER A 12 80.517 -12.656 3.854 1.00 0.00 N ATOM 141 CA SER A 12 80.697 -12.457 2.420 1.00 0.00 C ATOM 142 C SER A 12 79.591 -11.568 1.863 1.00 0.00 C ATOM 143 O SER A 12 79.773 -10.901 0.847 1.00 0.00 O ATOM 144 CB SER A 12 80.680 -13.805 1.700 1.00 0.00 C ATOM 145 OG SER A 12 81.180 -14.810 2.573 1.00 0.00 O ATOM 0 H SER A 12 80.515 -13.632 4.152 1.00 0.00 H new ATOM 0 HA SER A 12 81.659 -11.970 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 12 79.665 -14.051 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 12 81.289 -13.756 0.797 1.00 0.00 H new ATOM 0 HG SER A 12 81.169 -15.676 2.115 1.00 0.00 H new ATOM 151 N GLN A 13 78.444 -11.569 2.535 1.00 0.00 N ATOM 152 CA GLN A 13 77.312 -10.764 2.100 1.00 0.00 C ATOM 153 C GLN A 13 77.565 -9.285 2.390 1.00 0.00 C ATOM 154 O GLN A 13 77.531 -8.449 1.487 1.00 0.00 O ATOM 155 CB GLN A 13 76.037 -11.241 2.817 1.00 0.00 C ATOM 156 CG GLN A 13 74.923 -10.181 2.749 1.00 0.00 C ATOM 157 CD GLN A 13 74.559 -9.860 1.295 1.00 0.00 C ATOM 158 OE1 GLN A 13 75.478 -9.459 0.454 1.00 0.00 O flip ATOM 159 NE2 GLN A 13 73.395 -9.981 0.914 1.00 0.00 N flip ATOM 0 H GLN A 13 78.276 -12.116 3.379 1.00 0.00 H new ATOM 0 HA GLN A 13 77.183 -10.882 1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 13 75.687 -12.168 2.362 1.00 0.00 H new ATOM 0 HB3 GLN A 13 76.266 -11.464 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 13 74.040 -10.541 3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 13 75.249 -9.272 3.255 1.00 0.00 H new ATOM 0 HE21 GLN A 13 72.675 -10.293 1.566 1.00 0.00 H new ATOM 0 HE22 GLN A 13 73.150 -9.769 -0.053 1.00 0.00 H new ATOM 168 N ASP A 14 77.814 -8.971 3.658 1.00 0.00 N ATOM 169 CA ASP A 14 78.065 -7.592 4.059 1.00 0.00 C ATOM 170 C ASP A 14 79.208 -6.986 3.255 1.00 0.00 C ATOM 171 O ASP A 14 79.238 -5.778 3.021 1.00 0.00 O ATOM 172 CB ASP A 14 78.407 -7.536 5.549 1.00 0.00 C ATOM 173 CG ASP A 14 77.241 -6.937 6.329 1.00 0.00 C ATOM 174 OD1 ASP A 14 76.898 -5.798 6.060 1.00 0.00 O ATOM 175 OD2 ASP A 14 76.709 -7.627 7.183 1.00 0.00 O ATOM 0 H ASP A 14 77.847 -9.648 4.420 1.00 0.00 H new ATOM 0 HA ASP A 14 77.161 -7.015 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 14 78.626 -8.538 5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 14 79.304 -6.936 5.702 1.00 0.00 H new ATOM 180 N THR A 15 80.149 -7.824 2.837 1.00 0.00 N ATOM 181 CA THR A 15 81.285 -7.336 2.066 1.00 0.00 C ATOM 182 C THR A 15 80.814 -6.710 0.758 1.00 0.00 C ATOM 183 O THR A 15 81.215 -5.600 0.418 1.00 0.00 O ATOM 184 CB THR A 15 82.250 -8.484 1.769 1.00 0.00 C ATOM 185 OG1 THR A 15 81.723 -9.692 2.297 1.00 0.00 O ATOM 186 CG2 THR A 15 83.607 -8.192 2.412 1.00 0.00 C ATOM 0 H THR A 15 80.149 -8.828 3.015 1.00 0.00 H new ATOM 0 HA THR A 15 81.800 -6.576 2.654 1.00 0.00 H new ATOM 0 HB THR A 15 82.376 -8.583 0.691 1.00 0.00 H new ATOM 0 HG1 THR A 15 81.564 -9.587 3.258 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.294 -9.011 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.011 -7.265 2.005 1.00 0.00 H new ATOM 0 HG23 THR A 15 83.485 -8.092 3.490 1.00 0.00 H new ATOM 194 N LEU A 16 79.953 -7.419 0.035 1.00 0.00 N ATOM 195 CA LEU A 16 79.441 -6.901 -1.229 1.00 0.00 C ATOM 196 C LEU A 16 78.711 -5.585 -0.998 1.00 0.00 C ATOM 197 O LEU A 16 78.848 -4.642 -1.775 1.00 0.00 O ATOM 198 CB LEU A 16 78.479 -7.900 -1.879 1.00 0.00 C ATOM 199 CG LEU A 16 78.786 -9.321 -1.402 1.00 0.00 C ATOM 200 CD1 LEU A 16 77.966 -10.319 -2.222 1.00 0.00 C ATOM 201 CD2 LEU A 16 80.276 -9.616 -1.590 1.00 0.00 C ATOM 0 H LEU A 16 79.600 -8.339 0.297 1.00 0.00 H new ATOM 0 HA LEU A 16 80.289 -6.741 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 16 77.450 -7.640 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 16 78.567 -7.846 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 16 78.528 -9.412 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 16 78.183 -11.332 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 16 76.904 -10.112 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.226 -10.224 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 16 80.492 -10.629 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 16 80.535 -9.525 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 16 80.864 -8.905 -1.010 1.00 0.00 H new ATOM 213 N THR A 17 77.936 -5.529 0.079 1.00 0.00 N ATOM 214 CA THR A 17 77.186 -4.324 0.409 1.00 0.00 C ATOM 215 C THR A 17 78.130 -3.144 0.615 1.00 0.00 C ATOM 216 O THR A 17 77.987 -2.103 -0.025 1.00 0.00 O ATOM 217 CB THR A 17 76.366 -4.554 1.680 1.00 0.00 C ATOM 218 OG1 THR A 17 75.735 -5.825 1.610 1.00 0.00 O ATOM 219 CG2 THR A 17 75.303 -3.461 1.811 1.00 0.00 C ATOM 0 H THR A 17 77.811 -6.300 0.735 1.00 0.00 H new ATOM 0 HA THR A 17 76.516 -4.096 -0.420 1.00 0.00 H new ATOM 0 HB THR A 17 77.025 -4.521 2.548 1.00 0.00 H new ATOM 0 HG1 THR A 17 75.211 -5.975 2.424 1.00 0.00 H new ATOM 0 HG21 THR A 17 74.720 -3.627 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 17 75.788 -2.486 1.865 1.00 0.00 H new ATOM 0 HG23 THR A 17 74.643 -3.490 0.944 1.00 0.00 H new ATOM 227 N VAL A 18 79.092 -3.312 1.516 1.00 0.00 N ATOM 228 CA VAL A 18 80.051 -2.250 1.800 1.00 0.00 C ATOM 229 C VAL A 18 80.979 -2.016 0.607 1.00 0.00 C ATOM 230 O VAL A 18 81.127 -0.887 0.140 1.00 0.00 O ATOM 231 CB VAL A 18 80.880 -2.615 3.033 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.663 -1.387 3.502 1.00 0.00 C ATOM 233 CG2 VAL A 18 79.948 -3.081 4.154 1.00 0.00 C ATOM 0 H VAL A 18 79.228 -4.165 2.058 1.00 0.00 H new ATOM 0 HA VAL A 18 79.496 -1.331 1.991 1.00 0.00 H new ATOM 0 HB VAL A 18 81.575 -3.416 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.254 -1.646 4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.326 -1.052 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 18 80.967 -0.587 3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.538 -3.341 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.254 -2.279 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.387 -3.955 3.822 1.00 0.00 H new ATOM 243 N ILE A 19 81.603 -3.086 0.121 1.00 0.00 N ATOM 244 CA ILE A 19 82.515 -2.977 -1.016 1.00 0.00 C ATOM 245 C ILE A 19 81.800 -2.420 -2.232 1.00 0.00 C ATOM 246 O ILE A 19 82.423 -1.791 -3.088 1.00 0.00 O ATOM 247 CB ILE A 19 83.124 -4.355 -1.342 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.011 -4.803 -0.162 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.955 -4.276 -2.633 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.348 -5.360 -0.667 1.00 0.00 C ATOM 0 H ILE A 19 81.496 -4.030 0.492 1.00 0.00 H new ATOM 0 HA ILE A 19 83.316 -2.289 -0.747 1.00 0.00 H new ATOM 0 HB ILE A 19 82.325 -5.081 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 19 84.192 -3.959 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 19 83.492 -5.564 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.380 -5.255 -2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 19 83.315 -3.964 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 19 84.760 -3.552 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 19 85.957 -5.670 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.164 -6.218 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 19 85.874 -4.589 -1.229 1.00 0.00 H new ATOM 262 N ALA A 20 80.506 -2.657 -2.324 1.00 0.00 N ATOM 263 CA ALA A 20 79.765 -2.171 -3.469 1.00 0.00 C ATOM 264 C ALA A 20 79.773 -0.646 -3.522 1.00 0.00 C ATOM 265 O ALA A 20 80.151 -0.058 -4.534 1.00 0.00 O ATOM 266 CB ALA A 20 78.323 -2.680 -3.433 1.00 0.00 C ATOM 0 H ALA A 20 79.957 -3.172 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 20 80.254 -2.552 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 20 77.783 -2.304 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 20 78.321 -3.770 -3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 20 77.836 -2.329 -2.523 1.00 0.00 H new ATOM 272 N THR A 21 79.349 -0.014 -2.433 1.00 0.00 N ATOM 273 CA THR A 21 79.303 1.445 -2.374 1.00 0.00 C ATOM 274 C THR A 21 80.704 2.048 -2.447 1.00 0.00 C ATOM 275 O THR A 21 80.876 3.183 -2.891 1.00 0.00 O ATOM 276 CB THR A 21 78.622 1.891 -1.079 1.00 0.00 C ATOM 277 OG1 THR A 21 77.440 1.128 -0.880 1.00 0.00 O ATOM 278 CG2 THR A 21 78.264 3.376 -1.172 1.00 0.00 C ATOM 0 H THR A 21 79.034 -0.484 -1.584 1.00 0.00 H new ATOM 0 HA THR A 21 78.733 1.799 -3.233 1.00 0.00 H new ATOM 0 HB THR A 21 79.300 1.736 -0.240 1.00 0.00 H new ATOM 0 HG1 THR A 21 77.004 1.412 -0.050 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.779 3.692 -0.248 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.172 3.960 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.586 3.535 -2.011 1.00 0.00 H new ATOM 286 N LEU A 22 81.701 1.290 -2.005 1.00 0.00 N ATOM 287 CA LEU A 22 83.076 1.769 -2.023 1.00 0.00 C ATOM 288 C LEU A 22 83.631 1.718 -3.439 1.00 0.00 C ATOM 289 O LEU A 22 84.163 2.707 -3.945 1.00 0.00 O ATOM 290 CB LEU A 22 83.906 0.894 -1.083 1.00 0.00 C ATOM 291 CG LEU A 22 85.285 0.586 -1.676 1.00 0.00 C ATOM 292 CD1 LEU A 22 86.011 1.888 -2.032 1.00 0.00 C ATOM 293 CD2 LEU A 22 86.112 -0.177 -0.640 1.00 0.00 C ATOM 0 H LEU A 22 81.583 0.348 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 22 83.117 2.805 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 22 84.025 1.399 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 22 83.376 -0.038 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 22 85.161 -0.012 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 22 86.990 1.656 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 22 85.424 2.443 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 22 86.136 2.492 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 22 87.096 -0.401 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 22 86.225 0.433 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 22 85.606 -1.108 -0.384 1.00 0.00 H new ATOM 305 N ARG A 23 83.485 0.568 -4.080 1.00 0.00 N ATOM 306 CA ARG A 23 83.956 0.408 -5.445 1.00 0.00 C ATOM 307 C ARG A 23 83.182 1.349 -6.348 1.00 0.00 C ATOM 308 O ARG A 23 83.685 1.795 -7.379 1.00 0.00 O ATOM 309 CB ARG A 23 83.781 -1.045 -5.911 1.00 0.00 C ATOM 310 CG ARG A 23 84.860 -1.934 -5.266 1.00 0.00 C ATOM 311 CD ARG A 23 84.997 -3.257 -6.036 1.00 0.00 C ATOM 312 NE ARG A 23 83.987 -4.215 -5.609 1.00 0.00 N ATOM 313 CZ ARG A 23 82.762 -4.196 -6.123 1.00 0.00 C ATOM 314 NH1 ARG A 23 82.446 -3.308 -7.026 1.00 0.00 N ATOM 315 NH2 ARG A 23 81.877 -5.069 -5.726 1.00 0.00 N ATOM 0 H ARG A 23 83.047 -0.262 -3.680 1.00 0.00 H new ATOM 0 HA ARG A 23 85.018 0.649 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.789 -1.406 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 23 83.854 -1.099 -6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 23 85.816 -1.410 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 23 84.600 -2.136 -4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 23 84.899 -3.072 -7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 23 85.991 -3.675 -5.875 1.00 0.00 H new ATOM 0 HE ARG A 23 84.224 -4.912 -4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 23 83.140 -2.628 -7.337 1.00 0.00 H new ATOM 0 HH12 ARG A 23 81.505 -3.294 -7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 23 82.126 -5.764 -5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 23 80.936 -5.056 -6.119 1.00 0.00 H new ATOM 329 N GLU A 24 81.956 1.657 -5.946 1.00 0.00 N ATOM 330 CA GLU A 24 81.127 2.561 -6.730 1.00 0.00 C ATOM 331 C GLU A 24 81.653 3.979 -6.625 1.00 0.00 C ATOM 332 O GLU A 24 81.552 4.764 -7.560 1.00 0.00 O ATOM 333 CB GLU A 24 79.679 2.520 -6.240 1.00 0.00 C ATOM 334 CG GLU A 24 78.821 1.758 -7.251 1.00 0.00 C ATOM 335 CD GLU A 24 79.366 0.346 -7.435 1.00 0.00 C ATOM 336 OE1 GLU A 24 80.229 0.171 -8.279 1.00 0.00 O ATOM 337 OE2 GLU A 24 78.911 -0.540 -6.729 1.00 0.00 O ATOM 0 H GLU A 24 81.519 1.301 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 24 81.161 2.239 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.627 2.036 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.298 3.533 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 24 77.788 1.716 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.817 2.283 -8.206 1.00 0.00 H new ATOM 344 N ALA A 25 82.210 4.296 -5.475 1.00 0.00 N ATOM 345 CA ALA A 25 82.749 5.630 -5.234 1.00 0.00 C ATOM 346 C ALA A 25 83.897 5.947 -6.187 1.00 0.00 C ATOM 347 O ALA A 25 84.046 7.085 -6.630 1.00 0.00 O ATOM 348 CB ALA A 25 83.239 5.741 -3.789 1.00 0.00 C ATOM 0 H ALA A 25 82.304 3.653 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 25 81.950 6.350 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 25 83.640 6.740 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 25 82.407 5.561 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 25 84.019 5.001 -3.612 1.00 0.00 H new ATOM 354 N ILE A 26 84.711 4.944 -6.496 1.00 0.00 N ATOM 355 CA ILE A 26 85.841 5.156 -7.393 1.00 0.00 C ATOM 356 C ILE A 26 85.372 5.269 -8.835 1.00 0.00 C ATOM 357 O ILE A 26 86.003 5.943 -9.650 1.00 0.00 O ATOM 358 CB ILE A 26 86.846 4.007 -7.267 1.00 0.00 C ATOM 359 CG1 ILE A 26 88.268 4.551 -7.454 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.560 2.949 -8.336 1.00 0.00 C ATOM 361 CD1 ILE A 26 89.166 3.461 -8.043 1.00 0.00 C ATOM 0 H ILE A 26 84.613 3.991 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 26 86.327 6.089 -7.108 1.00 0.00 H new ATOM 0 HB ILE A 26 86.754 3.554 -6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 26 88.252 5.418 -8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.668 4.887 -6.497 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.277 2.134 -8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.550 2.561 -8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.648 3.398 -9.325 1.00 0.00 H new ATOM 0 HD11 ILE A 26 90.175 3.852 -8.174 1.00 0.00 H new ATOM 0 HD12 ILE A 26 89.193 2.607 -7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.771 3.146 -9.009 1.00 0.00 H new ATOM 373 N ASP A 27 84.266 4.608 -9.151 1.00 0.00 N ATOM 374 CA ASP A 27 83.740 4.654 -10.512 1.00 0.00 C ATOM 375 C ASP A 27 82.263 4.279 -10.553 1.00 0.00 C ATOM 376 O ASP A 27 81.880 3.306 -11.202 1.00 0.00 O ATOM 377 CB ASP A 27 84.533 3.702 -11.409 1.00 0.00 C ATOM 378 CG ASP A 27 84.502 2.291 -10.834 1.00 0.00 C ATOM 379 OD1 ASP A 27 83.802 2.086 -9.856 1.00 0.00 O ATOM 380 OD2 ASP A 27 85.180 1.435 -11.378 1.00 0.00 O ATOM 0 H ASP A 27 83.723 4.043 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 27 83.842 5.677 -10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 27 84.112 3.702 -12.414 1.00 0.00 H new ATOM 0 HB3 ASP A 27 85.564 4.045 -11.495 1.00 0.00 H new ATOM 385 N LEU A 28 81.438 5.058 -9.861 1.00 0.00 N ATOM 386 CA LEU A 28 80.001 4.788 -9.840 1.00 0.00 C ATOM 387 C LEU A 28 79.383 5.100 -11.206 1.00 0.00 C ATOM 388 O LEU A 28 79.920 5.910 -11.960 1.00 0.00 O ATOM 389 CB LEU A 28 79.293 5.622 -8.761 1.00 0.00 C ATOM 390 CG LEU A 28 79.975 6.978 -8.596 1.00 0.00 C ATOM 391 CD1 LEU A 28 79.954 7.732 -9.927 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.220 7.789 -7.545 1.00 0.00 C ATOM 0 H LEU A 28 81.731 5.868 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 28 79.867 3.731 -9.608 1.00 0.00 H new ATOM 0 HB2 LEU A 28 78.247 5.766 -9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 28 79.305 5.085 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 28 81.008 6.831 -8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 28 80.442 8.699 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 28 80.483 7.151 -10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 28 78.922 7.883 -10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.700 8.760 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.189 7.933 -7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 28 79.231 7.254 -6.595 1.00 0.00 H new ATOM 404 N PRO A 29 78.267 4.493 -11.535 1.00 0.00 N ATOM 405 CA PRO A 29 77.585 4.747 -12.836 1.00 0.00 C ATOM 406 C PRO A 29 77.445 6.242 -13.118 1.00 0.00 C ATOM 407 O PRO A 29 77.500 7.063 -12.202 1.00 0.00 O ATOM 408 CB PRO A 29 76.208 4.103 -12.670 1.00 0.00 C ATOM 409 CG PRO A 29 76.350 3.088 -11.582 1.00 0.00 C ATOM 410 CD PRO A 29 77.546 3.498 -10.720 1.00 0.00 C ATOM 0 HA PRO A 29 78.148 4.339 -13.675 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.458 4.850 -12.410 1.00 0.00 H new ATOM 0 HB3 PRO A 29 75.883 3.635 -13.599 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.442 3.042 -10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 29 76.504 2.094 -12.003 1.00 0.00 H new ATOM 0 HD2 PRO A 29 77.223 3.923 -9.770 1.00 0.00 H new ATOM 0 HD3 PRO A 29 78.179 2.642 -10.487 1.00 0.00 H new ATOM 418 N GLN A 30 77.266 6.588 -14.389 1.00 0.00 N ATOM 419 CA GLN A 30 77.123 7.987 -14.777 1.00 0.00 C ATOM 420 C GLN A 30 75.864 8.591 -14.162 1.00 0.00 C ATOM 421 O GLN A 30 75.556 9.763 -14.382 1.00 0.00 O ATOM 422 CB GLN A 30 77.059 8.107 -16.301 1.00 0.00 C ATOM 423 CG GLN A 30 78.479 8.177 -16.868 1.00 0.00 C ATOM 424 CD GLN A 30 78.428 8.402 -18.376 1.00 0.00 C ATOM 425 OE1 GLN A 30 78.895 7.562 -19.146 1.00 0.00 O ATOM 426 NE2 GLN A 30 77.886 9.493 -18.846 1.00 0.00 N ATOM 0 H GLN A 30 77.217 5.925 -15.162 1.00 0.00 H new ATOM 0 HA GLN A 30 77.991 8.534 -14.408 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.530 7.252 -16.722 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.499 8.999 -16.583 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.031 8.986 -16.390 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.013 7.253 -16.648 1.00 0.00 H new ATOM 0 HE21 GLN A 30 77.500 10.187 -18.206 1.00 0.00 H new ATOM 0 HE22 GLN A 30 77.849 9.651 -19.853 1.00 0.00 H new ATOM 435 N ASP A 31 75.144 7.787 -13.389 1.00 0.00 N ATOM 436 CA ASP A 31 73.924 8.258 -12.744 1.00 0.00 C ATOM 437 C ASP A 31 74.254 8.897 -11.401 1.00 0.00 C ATOM 438 O ASP A 31 73.368 9.153 -10.586 1.00 0.00 O ATOM 439 CB ASP A 31 72.956 7.093 -12.535 1.00 0.00 C ATOM 440 CG ASP A 31 71.635 7.382 -13.241 1.00 0.00 C ATOM 441 OD1 ASP A 31 71.199 8.520 -13.195 1.00 0.00 O ATOM 442 OD2 ASP A 31 71.081 6.461 -13.818 1.00 0.00 O ATOM 0 H ASP A 31 75.381 6.814 -13.194 1.00 0.00 H new ATOM 0 HA ASP A 31 73.454 9.002 -13.388 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.392 6.173 -12.923 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.783 6.939 -11.470 1.00 0.00 H new ATOM 447 N ALA A 32 75.539 9.153 -11.180 1.00 0.00 N ATOM 448 CA ALA A 32 75.990 9.763 -9.937 1.00 0.00 C ATOM 449 C ALA A 32 77.207 10.647 -10.195 1.00 0.00 C ATOM 450 O ALA A 32 78.302 10.353 -9.719 1.00 0.00 O ATOM 451 CB ALA A 32 76.359 8.674 -8.926 1.00 0.00 C ATOM 0 H ALA A 32 76.285 8.948 -11.845 1.00 0.00 H new ATOM 0 HA ALA A 32 75.182 10.374 -9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.696 9.137 -7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 32 75.486 8.053 -8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.159 8.055 -9.333 1.00 0.00 H new ATOM 457 N PRO A 33 77.042 11.714 -10.938 1.00 0.00 N ATOM 458 CA PRO A 33 78.164 12.645 -11.256 1.00 0.00 C ATOM 459 C PRO A 33 78.728 13.316 -10.003 1.00 0.00 C ATOM 460 O PRO A 33 79.249 14.431 -10.063 1.00 0.00 O ATOM 461 CB PRO A 33 77.549 13.679 -12.205 1.00 0.00 C ATOM 462 CG PRO A 33 76.068 13.561 -12.048 1.00 0.00 C ATOM 463 CD PRO A 33 75.777 12.145 -11.554 1.00 0.00 C ATOM 0 HA PRO A 33 79.008 12.118 -11.701 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.888 14.685 -11.957 1.00 0.00 H new ATOM 0 HB3 PRO A 33 77.848 13.487 -13.236 1.00 0.00 H new ATOM 0 HG2 PRO A 33 75.696 14.300 -11.338 1.00 0.00 H new ATOM 0 HG3 PRO A 33 75.564 13.749 -12.996 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.959 12.134 -10.834 1.00 0.00 H new ATOM 0 HD3 PRO A 33 75.489 11.488 -12.374 1.00 0.00 H new ATOM 471 N ASN A 34 78.628 12.620 -8.877 1.00 0.00 N ATOM 472 CA ASN A 34 79.132 13.133 -7.611 1.00 0.00 C ATOM 473 C ASN A 34 79.794 12.004 -6.832 1.00 0.00 C ATOM 474 O ASN A 34 79.289 11.567 -5.796 1.00 0.00 O ATOM 475 CB ASN A 34 77.985 13.725 -6.792 1.00 0.00 C ATOM 476 CG ASN A 34 76.809 12.755 -6.770 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.998 11.508 -7.107 1.00 0.00 O flip ATOM 478 ND2 ASN A 34 75.688 13.142 -6.439 1.00 0.00 N flip ATOM 0 H ASN A 34 78.201 11.696 -8.816 1.00 0.00 H new ATOM 0 HA ASN A 34 79.865 13.915 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 34 78.320 13.928 -5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 34 77.674 14.678 -7.221 1.00 0.00 H new ATOM 0 HD21 ASN A 34 75.542 14.117 -6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 34 74.905 12.488 -6.428 1.00 0.00 H new ATOM 485 N ARG A 35 80.924 11.529 -7.344 1.00 0.00 N ATOM 486 CA ARG A 35 81.650 10.439 -6.700 1.00 0.00 C ATOM 487 C ARG A 35 81.912 10.770 -5.235 1.00 0.00 C ATOM 488 O ARG A 35 82.140 9.878 -4.418 1.00 0.00 O ATOM 489 CB ARG A 35 82.985 10.201 -7.412 1.00 0.00 C ATOM 490 CG ARG A 35 82.740 9.624 -8.813 1.00 0.00 C ATOM 491 CD ARG A 35 82.192 10.708 -9.749 1.00 0.00 C ATOM 492 NE ARG A 35 82.541 10.399 -11.131 1.00 0.00 N ATOM 493 CZ ARG A 35 82.626 11.358 -12.048 1.00 0.00 C ATOM 494 NH1 ARG A 35 82.390 12.598 -11.718 1.00 0.00 N ATOM 495 NH2 ARG A 35 82.944 11.060 -13.279 1.00 0.00 N ATOM 0 H ARG A 35 81.356 11.879 -8.199 1.00 0.00 H new ATOM 0 HA ARG A 35 81.041 9.537 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.538 11.137 -7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 35 83.599 9.514 -6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.670 9.223 -9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 35 82.035 8.795 -8.754 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.109 10.776 -9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 35 82.600 11.680 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 35 82.723 9.432 -11.398 1.00 0.00 H new ATOM 0 HH11 ARG A 35 82.140 12.831 -10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 35 82.455 13.334 -12.421 1.00 0.00 H new ATOM 0 HH21 ARG A 35 83.127 10.091 -13.538 1.00 0.00 H new ATOM 0 HH22 ARG A 35 83.009 11.797 -13.982 1.00 0.00 H new ATOM 509 N GLN A 36 81.878 12.059 -4.910 1.00 0.00 N ATOM 510 CA GLN A 36 82.114 12.500 -3.540 1.00 0.00 C ATOM 511 C GLN A 36 80.887 12.242 -2.667 1.00 0.00 C ATOM 512 O GLN A 36 80.993 11.659 -1.590 1.00 0.00 O ATOM 513 CB GLN A 36 82.449 13.992 -3.523 1.00 0.00 C ATOM 514 CG GLN A 36 83.930 14.180 -3.185 1.00 0.00 C ATOM 515 CD GLN A 36 84.318 15.647 -3.341 1.00 0.00 C ATOM 516 OE1 GLN A 36 83.972 16.279 -4.339 1.00 0.00 O ATOM 517 NE2 GLN A 36 85.020 16.229 -2.407 1.00 0.00 N ATOM 0 H GLN A 36 81.691 12.812 -5.572 1.00 0.00 H new ATOM 0 HA GLN A 36 82.953 11.932 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 36 82.228 14.436 -4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 36 81.829 14.506 -2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 36 84.123 13.851 -2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 36 84.543 13.561 -3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 36 85.305 15.703 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 36 85.283 17.210 -2.503 1.00 0.00 H new ATOM 526 N GLU A 37 79.725 12.685 -3.137 1.00 0.00 N ATOM 527 CA GLU A 37 78.488 12.501 -2.385 1.00 0.00 C ATOM 528 C GLU A 37 78.289 11.035 -2.016 1.00 0.00 C ATOM 529 O GLU A 37 78.159 10.697 -0.839 1.00 0.00 O ATOM 530 CB GLU A 37 77.295 12.988 -3.210 1.00 0.00 C ATOM 531 CG GLU A 37 77.338 14.513 -3.317 1.00 0.00 C ATOM 532 CD GLU A 37 76.840 15.140 -2.021 1.00 0.00 C ATOM 533 OE1 GLU A 37 75.645 15.356 -1.910 1.00 0.00 O ATOM 534 OE2 GLU A 37 77.661 15.396 -1.156 1.00 0.00 O ATOM 0 H GLU A 37 79.614 13.170 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 37 78.559 13.085 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.320 12.542 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.363 12.672 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 37 78.356 14.843 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.721 14.845 -4.152 1.00 0.00 H new ATOM 541 N VAL A 38 78.269 10.168 -3.021 1.00 0.00 N ATOM 542 CA VAL A 38 78.088 8.744 -2.771 1.00 0.00 C ATOM 543 C VAL A 38 79.060 8.282 -1.693 1.00 0.00 C ATOM 544 O VAL A 38 78.730 7.431 -0.867 1.00 0.00 O ATOM 545 CB VAL A 38 78.328 7.954 -4.059 1.00 0.00 C ATOM 546 CG1 VAL A 38 78.256 6.455 -3.760 1.00 0.00 C ATOM 547 CG2 VAL A 38 77.259 8.319 -5.092 1.00 0.00 C ATOM 0 H VAL A 38 78.374 10.421 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 38 77.067 8.569 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 38 79.313 8.199 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.427 5.892 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 38 79.019 6.193 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.271 6.210 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.432 7.755 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.273 8.076 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.310 9.386 -5.307 1.00 0.00 H new ATOM 557 N GLN A 39 80.257 8.858 -1.704 1.00 0.00 N ATOM 558 CA GLN A 39 81.272 8.509 -0.719 1.00 0.00 C ATOM 559 C GLN A 39 80.782 8.842 0.686 1.00 0.00 C ATOM 560 O GLN A 39 81.093 8.135 1.645 1.00 0.00 O ATOM 561 CB GLN A 39 82.568 9.269 -1.005 1.00 0.00 C ATOM 562 CG GLN A 39 83.745 8.526 -0.373 1.00 0.00 C ATOM 563 CD GLN A 39 84.053 7.264 -1.171 1.00 0.00 C ATOM 564 OE1 GLN A 39 83.432 6.154 -0.882 1.00 0.00 O flip ATOM 565 NE2 GLN A 39 84.881 7.291 -2.082 1.00 0.00 N flip ATOM 0 H GLN A 39 80.547 9.565 -2.380 1.00 0.00 H new ATOM 0 HA GLN A 39 81.463 7.438 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.718 9.362 -2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.505 10.281 -0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 39 84.622 9.173 -0.346 1.00 0.00 H new ATOM 0 HG3 GLN A 39 83.510 8.265 0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 39 85.365 8.161 -2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 39 85.083 6.444 -2.613 1.00 0.00 H new ATOM 574 N ASP A 40 80.009 9.920 0.804 1.00 0.00 N ATOM 575 CA ASP A 40 79.483 10.324 2.102 1.00 0.00 C ATOM 576 C ASP A 40 78.682 9.183 2.718 1.00 0.00 C ATOM 577 O ASP A 40 78.777 8.922 3.917 1.00 0.00 O ATOM 578 CB ASP A 40 78.590 11.557 1.947 1.00 0.00 C ATOM 579 CG ASP A 40 78.873 12.551 3.069 1.00 0.00 C ATOM 580 OD1 ASP A 40 80.018 12.947 3.208 1.00 0.00 O ATOM 581 OD2 ASP A 40 77.938 12.901 3.771 1.00 0.00 O ATOM 0 H ASP A 40 79.737 10.521 0.026 1.00 0.00 H new ATOM 0 HA ASP A 40 80.318 10.570 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 40 78.770 12.027 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 40 77.541 11.261 1.968 1.00 0.00 H new ATOM 586 N THR A 41 77.905 8.500 1.885 1.00 0.00 N ATOM 587 CA THR A 41 77.104 7.380 2.359 1.00 0.00 C ATOM 588 C THR A 41 78.015 6.270 2.866 1.00 0.00 C ATOM 589 O THR A 41 77.702 5.596 3.847 1.00 0.00 O ATOM 590 CB THR A 41 76.219 6.850 1.228 1.00 0.00 C ATOM 591 OG1 THR A 41 75.066 7.671 1.109 1.00 0.00 O ATOM 592 CG2 THR A 41 75.795 5.415 1.541 1.00 0.00 C ATOM 0 H THR A 41 77.813 8.700 0.889 1.00 0.00 H new ATOM 0 HA THR A 41 76.468 7.722 3.175 1.00 0.00 H new ATOM 0 HB THR A 41 76.776 6.866 0.291 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.498 7.335 0.384 1.00 0.00 H new ATOM 0 HG21 THR A 41 75.165 5.038 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.680 4.786 1.634 1.00 0.00 H new ATOM 0 HG23 THR A 41 75.237 5.396 2.477 1.00 0.00 H new ATOM 600 N ALA A 42 79.150 6.095 2.197 1.00 0.00 N ATOM 601 CA ALA A 42 80.107 5.074 2.598 1.00 0.00 C ATOM 602 C ALA A 42 80.669 5.402 3.975 1.00 0.00 C ATOM 603 O ALA A 42 80.778 4.528 4.832 1.00 0.00 O ATOM 604 CB ALA A 42 81.247 4.991 1.581 1.00 0.00 C ATOM 0 H ALA A 42 79.427 6.642 1.382 1.00 0.00 H new ATOM 0 HA ALA A 42 79.597 4.111 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.957 4.224 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.843 4.736 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.755 5.954 1.525 1.00 0.00 H new ATOM 610 N ARG A 43 81.009 6.674 4.178 1.00 0.00 N ATOM 611 CA ARG A 43 81.550 7.127 5.457 1.00 0.00 C ATOM 612 C ARG A 43 80.646 6.675 6.603 1.00 0.00 C ATOM 613 O ARG A 43 81.108 6.466 7.726 1.00 0.00 O ATOM 614 CB ARG A 43 81.659 8.652 5.462 1.00 0.00 C ATOM 615 CG ARG A 43 83.022 9.065 6.021 1.00 0.00 C ATOM 616 CD ARG A 43 83.027 10.570 6.290 1.00 0.00 C ATOM 617 NE ARG A 43 82.173 10.879 7.431 1.00 0.00 N ATOM 618 CZ ARG A 43 82.559 10.604 8.672 1.00 0.00 C ATOM 619 NH1 ARG A 43 83.724 10.054 8.886 1.00 0.00 N ATOM 620 NH2 ARG A 43 81.774 10.881 9.677 1.00 0.00 N ATOM 0 H ARG A 43 80.919 7.407 3.474 1.00 0.00 H new ATOM 0 HA ARG A 43 82.540 6.692 5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 43 81.537 9.039 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 43 80.861 9.082 6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 43 83.230 8.519 6.941 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.810 8.809 5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 43 84.044 10.909 6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 43 82.676 11.106 5.408 1.00 0.00 H new ATOM 0 HE ARG A 43 81.264 11.314 7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 43 84.337 9.836 8.100 1.00 0.00 H new ATOM 0 HH12 ARG A 43 84.021 9.843 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 43 80.863 11.309 9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 43 82.071 10.670 10.630 1.00 0.00 H new ATOM 634 N GLY A 44 79.358 6.523 6.312 1.00 0.00 N ATOM 635 CA GLY A 44 78.398 6.093 7.325 1.00 0.00 C ATOM 636 C GLY A 44 78.624 4.634 7.730 1.00 0.00 C ATOM 637 O GLY A 44 78.600 4.301 8.914 1.00 0.00 O ATOM 0 H GLY A 44 78.956 6.690 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.484 6.733 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.385 6.212 6.941 1.00 0.00 H new ATOM 641 N GLN A 45 78.833 3.768 6.741 1.00 0.00 N ATOM 642 CA GLN A 45 79.053 2.344 7.011 1.00 0.00 C ATOM 643 C GLN A 45 80.324 2.126 7.829 1.00 0.00 C ATOM 644 O GLN A 45 80.326 1.368 8.796 1.00 0.00 O ATOM 645 CB GLN A 45 79.153 1.576 5.692 1.00 0.00 C ATOM 646 CG GLN A 45 77.940 1.906 4.818 1.00 0.00 C ATOM 647 CD GLN A 45 77.583 0.706 3.947 1.00 0.00 C ATOM 648 OE1 GLN A 45 77.112 -0.311 4.453 1.00 0.00 O ATOM 649 NE2 GLN A 45 77.782 0.766 2.658 1.00 0.00 N ATOM 0 H GLN A 45 78.855 4.021 5.753 1.00 0.00 H new ATOM 0 HA GLN A 45 78.206 1.974 7.590 1.00 0.00 H new ATOM 0 HB2 GLN A 45 80.073 1.843 5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 45 79.195 0.504 5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 45 77.091 2.175 5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 45 78.158 2.770 4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 45 78.173 1.611 2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 45 77.547 -0.032 2.068 1.00 0.00 H new ATOM 658 N ILE A 46 81.399 2.795 7.434 1.00 0.00 N ATOM 659 CA ILE A 46 82.675 2.667 8.139 1.00 0.00 C ATOM 660 C ILE A 46 82.486 2.937 9.619 1.00 0.00 C ATOM 661 O ILE A 46 83.100 2.287 10.465 1.00 0.00 O ATOM 662 CB ILE A 46 83.699 3.642 7.528 1.00 0.00 C ATOM 663 CG1 ILE A 46 84.046 4.793 8.487 1.00 0.00 C ATOM 664 CG2 ILE A 46 83.112 4.229 6.266 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.902 4.272 9.645 1.00 0.00 C ATOM 0 H ILE A 46 81.417 3.429 6.635 1.00 0.00 H new ATOM 0 HA ILE A 46 83.051 1.650 8.028 1.00 0.00 H new ATOM 0 HB ILE A 46 84.613 3.085 7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 46 84.583 5.575 7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 46 83.132 5.243 8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 46 83.826 4.922 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 46 82.895 3.428 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 46 82.191 4.761 6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.142 5.095 10.319 1.00 0.00 H new ATOM 0 HD12 ILE A 46 84.350 3.506 10.190 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.824 3.844 9.252 1.00 0.00 H new ATOM 677 N ASN A 47 81.632 3.897 9.928 1.00 0.00 N ATOM 678 CA ASN A 47 81.372 4.237 11.314 1.00 0.00 C ATOM 679 C ASN A 47 80.973 2.987 12.084 1.00 0.00 C ATOM 680 O ASN A 47 81.580 2.650 13.100 1.00 0.00 O ATOM 681 CB ASN A 47 80.260 5.284 11.408 1.00 0.00 C ATOM 682 CG ASN A 47 80.037 5.678 12.864 1.00 0.00 C ATOM 683 OD1 ASN A 47 78.959 5.449 13.412 1.00 0.00 O ATOM 684 ND2 ASN A 47 80.998 6.262 13.528 1.00 0.00 N ATOM 0 H ASN A 47 81.112 4.449 9.246 1.00 0.00 H new ATOM 0 HA ASN A 47 82.280 4.654 11.749 1.00 0.00 H new ATOM 0 HB2 ASN A 47 80.526 6.163 10.821 1.00 0.00 H new ATOM 0 HB3 ASN A 47 79.338 4.886 10.985 1.00 0.00 H new ATOM 0 HD21 ASN A 47 80.856 6.529 14.502 1.00 0.00 H new ATOM 0 HD22 ASN A 47 81.891 6.451 13.073 1.00 0.00 H new ATOM 691 N ASP A 48 79.956 2.295 11.582 1.00 0.00 N ATOM 692 CA ASP A 48 79.493 1.073 12.222 1.00 0.00 C ATOM 693 C ASP A 48 80.491 -0.052 11.988 1.00 0.00 C ATOM 694 O ASP A 48 80.821 -0.807 12.903 1.00 0.00 O ATOM 695 CB ASP A 48 78.133 0.666 11.662 1.00 0.00 C ATOM 696 CG ASP A 48 77.041 1.532 12.275 1.00 0.00 C ATOM 697 OD1 ASP A 48 77.357 2.624 12.713 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.906 1.088 12.301 1.00 0.00 O ATOM 0 H ASP A 48 79.442 2.558 10.741 1.00 0.00 H new ATOM 0 HA ASP A 48 79.401 1.258 13.292 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.129 0.774 10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.940 -0.385 11.878 1.00 0.00 H new ATOM 703 N TYR A 49 80.978 -0.156 10.757 1.00 0.00 N ATOM 704 CA TYR A 49 81.941 -1.193 10.427 1.00 0.00 C ATOM 705 C TYR A 49 83.046 -1.196 11.473 1.00 0.00 C ATOM 706 O TYR A 49 83.310 -2.211 12.116 1.00 0.00 O ATOM 707 CB TYR A 49 82.547 -0.928 9.047 1.00 0.00 C ATOM 708 CG TYR A 49 82.997 -2.228 8.423 1.00 0.00 C ATOM 709 CD1 TYR A 49 84.011 -2.982 9.027 1.00 0.00 C ATOM 710 CD2 TYR A 49 82.403 -2.677 7.237 1.00 0.00 C ATOM 711 CE1 TYR A 49 84.430 -4.184 8.445 1.00 0.00 C ATOM 712 CE2 TYR A 49 82.823 -3.879 6.656 1.00 0.00 C ATOM 713 CZ TYR A 49 83.836 -4.633 7.259 1.00 0.00 C ATOM 714 OH TYR A 49 84.250 -5.819 6.687 1.00 0.00 O ATOM 0 H TYR A 49 80.725 0.457 9.982 1.00 0.00 H new ATOM 0 HA TYR A 49 81.439 -2.160 10.413 1.00 0.00 H new ATOM 0 HB2 TYR A 49 81.812 -0.442 8.405 1.00 0.00 H new ATOM 0 HB3 TYR A 49 83.393 -0.246 9.137 1.00 0.00 H new ATOM 0 HD1 TYR A 49 84.470 -2.636 9.942 1.00 0.00 H new ATOM 0 HD2 TYR A 49 81.621 -2.096 6.771 1.00 0.00 H new ATOM 0 HE1 TYR A 49 85.212 -4.765 8.911 1.00 0.00 H new ATOM 0 HE2 TYR A 49 82.365 -4.225 5.741 1.00 0.00 H new ATOM 0 HH TYR A 49 83.735 -5.985 5.870 1.00 0.00 H new ATOM 724 N ILE A 50 83.670 -0.039 11.652 1.00 0.00 N ATOM 725 CA ILE A 50 84.728 0.099 12.639 1.00 0.00 C ATOM 726 C ILE A 50 84.132 0.166 14.043 1.00 0.00 C ATOM 727 O ILE A 50 84.808 -0.124 15.029 1.00 0.00 O ATOM 728 CB ILE A 50 85.549 1.362 12.359 1.00 0.00 C ATOM 729 CG1 ILE A 50 86.670 1.031 11.370 1.00 0.00 C ATOM 730 CG2 ILE A 50 86.163 1.881 13.660 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.074 0.396 10.113 1.00 0.00 C ATOM 0 H ILE A 50 83.462 0.812 11.129 1.00 0.00 H new ATOM 0 HA ILE A 50 85.383 -0.770 12.574 1.00 0.00 H new ATOM 0 HB ILE A 50 84.897 2.127 11.936 1.00 0.00 H new ATOM 0 HG12 ILE A 50 87.217 1.937 11.108 1.00 0.00 H new ATOM 0 HG13 ILE A 50 87.385 0.349 11.830 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.746 2.779 13.455 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.369 2.118 14.368 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.813 1.117 14.086 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.873 0.161 9.410 1.00 0.00 H new ATOM 0 HD12 ILE A 50 85.547 -0.519 10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 50 85.376 1.093 9.649 1.00 0.00 H new ATOM 743 N SER A 51 82.866 0.570 14.125 1.00 0.00 N ATOM 744 CA SER A 51 82.203 0.695 15.420 1.00 0.00 C ATOM 745 C SER A 51 80.911 -0.120 15.489 1.00 0.00 C ATOM 746 O SER A 51 79.855 0.412 15.829 1.00 0.00 O ATOM 747 CB SER A 51 81.888 2.164 15.699 1.00 0.00 C ATOM 748 OG SER A 51 81.942 2.399 17.100 1.00 0.00 O ATOM 0 H SER A 51 82.286 0.813 13.322 1.00 0.00 H new ATOM 0 HA SER A 51 82.886 0.303 16.174 1.00 0.00 H new ATOM 0 HB2 SER A 51 82.603 2.805 15.183 1.00 0.00 H new ATOM 0 HB3 SER A 51 80.899 2.415 15.314 1.00 0.00 H new ATOM 0 HG SER A 51 81.742 3.341 17.282 1.00 0.00 H new ATOM 754 N ARG A 52 81.003 -1.412 15.190 1.00 0.00 N ATOM 755 CA ARG A 52 79.828 -2.283 15.252 1.00 0.00 C ATOM 756 C ARG A 52 80.024 -3.539 14.413 1.00 0.00 C ATOM 757 O ARG A 52 79.784 -4.650 14.885 1.00 0.00 O ATOM 758 CB ARG A 52 78.576 -1.538 14.773 1.00 0.00 C ATOM 759 CG ARG A 52 77.594 -2.531 14.140 1.00 0.00 C ATOM 760 CD ARG A 52 76.219 -1.875 14.009 1.00 0.00 C ATOM 761 NE ARG A 52 75.570 -1.797 15.313 1.00 0.00 N ATOM 762 CZ ARG A 52 74.350 -1.288 15.445 1.00 0.00 C ATOM 763 NH1 ARG A 52 73.708 -0.849 14.396 1.00 0.00 N ATOM 764 NH2 ARG A 52 73.792 -1.226 16.623 1.00 0.00 N ATOM 0 H ARG A 52 81.865 -1.877 14.906 1.00 0.00 H new ATOM 0 HA ARG A 52 79.696 -2.577 16.293 1.00 0.00 H new ATOM 0 HB2 ARG A 52 78.102 -1.027 15.611 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.852 -0.772 14.048 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.955 -2.841 13.160 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.523 -3.430 14.753 1.00 0.00 H new ATOM 0 HD2 ARG A 52 76.324 -0.876 13.587 1.00 0.00 H new ATOM 0 HD3 ARG A 52 75.599 -2.449 13.320 1.00 0.00 H new ATOM 0 HE ARG A 52 76.062 -2.139 16.138 1.00 0.00 H new ATOM 0 HH11 ARG A 52 74.143 -0.897 13.475 1.00 0.00 H new ATOM 0 HH12 ARG A 52 72.771 -0.458 14.498 1.00 0.00 H new ATOM 0 HH21 ARG A 52 74.293 -1.568 17.443 1.00 0.00 H new ATOM 0 HH22 ARG A 52 72.855 -0.835 16.724 1.00 0.00 H new ATOM 778 N TYR A 53 80.449 -3.361 13.166 1.00 0.00 N ATOM 779 CA TYR A 53 80.654 -4.501 12.283 1.00 0.00 C ATOM 780 C TYR A 53 82.078 -4.524 11.739 1.00 0.00 C ATOM 781 O TYR A 53 82.308 -4.268 10.557 1.00 0.00 O ATOM 782 CB TYR A 53 79.656 -4.457 11.125 1.00 0.00 C ATOM 783 CG TYR A 53 80.061 -5.481 10.092 1.00 0.00 C ATOM 784 CD1 TYR A 53 80.074 -6.838 10.430 1.00 0.00 C ATOM 785 CD2 TYR A 53 80.421 -5.077 8.801 1.00 0.00 C ATOM 786 CE1 TYR A 53 80.446 -7.794 9.477 1.00 0.00 C ATOM 787 CE2 TYR A 53 80.792 -6.033 7.848 1.00 0.00 C ATOM 788 CZ TYR A 53 80.804 -7.392 8.186 1.00 0.00 C ATOM 789 OH TYR A 53 81.168 -8.334 7.245 1.00 0.00 O ATOM 0 H TYR A 53 80.655 -2.453 12.750 1.00 0.00 H new ATOM 0 HA TYR A 53 80.493 -5.410 12.863 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.649 -4.664 11.487 1.00 0.00 H new ATOM 0 HB3 TYR A 53 79.637 -3.461 10.682 1.00 0.00 H new ATOM 0 HD1 TYR A 53 79.797 -7.149 11.427 1.00 0.00 H new ATOM 0 HD2 TYR A 53 80.413 -4.029 8.540 1.00 0.00 H new ATOM 0 HE1 TYR A 53 80.457 -8.842 9.739 1.00 0.00 H new ATOM 0 HE2 TYR A 53 81.069 -5.722 6.851 1.00 0.00 H new ATOM 0 HH TYR A 53 81.385 -7.886 6.401 1.00 0.00 H new ATOM 799 N ARG A 54 83.028 -4.842 12.611 1.00 0.00 N ATOM 800 CA ARG A 54 84.430 -4.908 12.214 1.00 0.00 C ATOM 801 C ARG A 54 84.928 -6.349 12.263 1.00 0.00 C ATOM 802 O ARG A 54 84.205 -7.251 12.689 1.00 0.00 O ATOM 803 CB ARG A 54 85.278 -4.040 13.145 1.00 0.00 C ATOM 804 CG ARG A 54 84.586 -3.924 14.504 1.00 0.00 C ATOM 805 CD ARG A 54 85.602 -3.482 15.560 1.00 0.00 C ATOM 806 NE ARG A 54 86.633 -2.652 14.951 1.00 0.00 N ATOM 807 CZ ARG A 54 87.783 -2.416 15.575 1.00 0.00 C ATOM 808 NH1 ARG A 54 88.003 -2.933 16.753 1.00 0.00 N ATOM 809 NH2 ARG A 54 88.692 -1.669 15.012 1.00 0.00 N ATOM 0 H ARG A 54 82.855 -5.057 13.593 1.00 0.00 H new ATOM 0 HA ARG A 54 84.520 -4.537 11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 54 86.269 -4.478 13.266 1.00 0.00 H new ATOM 0 HB3 ARG A 54 85.418 -3.050 12.710 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.769 -3.205 14.447 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.149 -4.882 14.784 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.097 -2.926 16.350 1.00 0.00 H new ATOM 0 HD3 ARG A 54 86.057 -4.356 16.026 1.00 0.00 H new ATOM 0 HE ARG A 54 86.470 -2.245 14.030 1.00 0.00 H new ATOM 0 HH11 ARG A 54 87.293 -3.518 17.194 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.885 -2.753 17.233 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.521 -1.265 14.091 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.574 -1.489 15.492 1.00 0.00 H new ATOM 823 N ARG A 55 86.164 -6.562 11.823 1.00 0.00 N ATOM 824 CA ARG A 55 86.741 -7.902 11.823 1.00 0.00 C ATOM 825 C ARG A 55 85.868 -8.857 11.016 1.00 0.00 C ATOM 826 O ARG A 55 84.760 -9.201 11.431 1.00 0.00 O ATOM 827 CB ARG A 55 86.869 -8.416 13.260 1.00 0.00 C ATOM 828 CG ARG A 55 87.456 -9.829 13.249 1.00 0.00 C ATOM 829 CD ARG A 55 87.660 -10.308 14.689 1.00 0.00 C ATOM 830 NE ARG A 55 87.735 -11.765 14.731 1.00 0.00 N ATOM 831 CZ ARG A 55 88.047 -12.406 15.854 1.00 0.00 C ATOM 832 NH1 ARG A 55 88.297 -11.732 16.944 1.00 0.00 N ATOM 833 NH2 ARG A 55 88.106 -13.710 15.866 1.00 0.00 N ATOM 0 H ARG A 55 86.780 -5.832 11.465 1.00 0.00 H new ATOM 0 HA ARG A 55 87.729 -7.853 11.366 1.00 0.00 H new ATOM 0 HB2 ARG A 55 87.508 -7.750 13.840 1.00 0.00 H new ATOM 0 HB3 ARG A 55 85.892 -8.421 13.744 1.00 0.00 H new ATOM 0 HG2 ARG A 55 86.787 -10.508 12.720 1.00 0.00 H new ATOM 0 HG3 ARG A 55 88.406 -9.836 12.714 1.00 0.00 H new ATOM 0 HD2 ARG A 55 88.575 -9.878 15.097 1.00 0.00 H new ATOM 0 HD3 ARG A 55 86.838 -9.961 15.315 1.00 0.00 H new ATOM 0 HE ARG A 55 87.545 -12.301 13.884 1.00 0.00 H new ATOM 0 HH11 ARG A 55 88.253 -10.713 16.935 1.00 0.00 H new ATOM 0 HH12 ARG A 55 88.536 -12.225 17.805 1.00 0.00 H new ATOM 0 HH21 ARG A 55 87.913 -14.237 15.014 1.00 0.00 H new ATOM 0 HH22 ARG A 55 88.345 -14.202 16.727 1.00 0.00 H new ATOM 847 N LYS A 56 86.370 -9.282 9.860 1.00 0.00 N ATOM 848 CA LYS A 56 85.623 -10.198 9.005 1.00 0.00 C ATOM 849 C LYS A 56 85.795 -11.636 9.482 1.00 0.00 C ATOM 850 O LYS A 56 84.816 -12.340 9.730 1.00 0.00 O ATOM 851 CB LYS A 56 86.104 -10.076 7.557 1.00 0.00 C ATOM 852 CG LYS A 56 85.540 -11.235 6.731 1.00 0.00 C ATOM 853 CD LYS A 56 85.305 -10.770 5.293 1.00 0.00 C ATOM 854 CE LYS A 56 84.754 -11.931 4.463 1.00 0.00 C ATOM 855 NZ LYS A 56 83.271 -11.815 4.370 1.00 0.00 N ATOM 0 H LYS A 56 87.283 -9.009 9.496 1.00 0.00 H new ATOM 0 HA LYS A 56 84.567 -9.933 9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 56 85.782 -9.124 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 56 87.193 -10.087 7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 56 86.233 -12.076 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.605 -11.586 7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 56 84.604 -9.935 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 56 86.238 -10.410 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.194 -11.920 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 56 85.027 -12.882 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 82.867 -12.735 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 82.887 -11.525 5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 83.023 -11.104 3.652 1.00 0.00 H new ATOM 869 N GLY A 57 87.047 -12.064 9.609 1.00 0.00 N ATOM 870 CA GLY A 57 87.337 -13.419 10.059 1.00 0.00 C ATOM 871 C GLY A 57 88.719 -13.496 10.699 1.00 0.00 C ATOM 872 O GLY A 57 88.930 -14.243 11.655 1.00 0.00 O ATOM 0 H GLY A 57 87.871 -11.497 9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 57 86.581 -13.738 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 57 87.284 -14.106 9.214 1.00 0.00 H new ATOM 876 N ASP A 58 89.657 -12.721 10.165 1.00 0.00 N ATOM 877 CA ASP A 58 91.016 -12.710 10.691 1.00 0.00 C ATOM 878 C ASP A 58 91.435 -14.114 11.115 1.00 0.00 C ATOM 879 O ASP A 58 91.752 -14.353 12.281 1.00 0.00 O ATOM 880 CB ASP A 58 91.104 -11.765 11.892 1.00 0.00 C ATOM 881 CG ASP A 58 92.564 -11.455 12.207 1.00 0.00 C ATOM 882 OD1 ASP A 58 93.391 -11.633 11.328 1.00 0.00 O ATOM 883 OD2 ASP A 58 92.834 -11.043 13.323 1.00 0.00 O ATOM 0 H ASP A 58 89.502 -12.096 9.374 1.00 0.00 H new ATOM 0 HA ASP A 58 91.688 -12.362 9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 58 90.566 -10.842 11.679 1.00 0.00 H new ATOM 0 HB3 ASP A 58 90.625 -12.220 12.759 1.00 0.00 H new ATOM 888 N ALA A 59 91.431 -15.040 10.162 1.00 0.00 N ATOM 889 CA ALA A 59 91.812 -16.418 10.447 1.00 0.00 C ATOM 890 C ALA A 59 93.281 -16.496 10.850 1.00 0.00 C ATOM 891 O ALA A 59 93.608 -16.870 11.977 1.00 0.00 O ATOM 892 CB ALA A 59 91.572 -17.292 9.216 1.00 0.00 C ATOM 0 H ALA A 59 91.170 -14.863 9.192 1.00 0.00 H new ATOM 0 HA ALA A 59 91.201 -16.780 11.274 1.00 0.00 H new ATOM 0 HB1 ALA A 59 91.859 -18.320 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 59 90.516 -17.260 8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 59 92.169 -16.920 8.384 1.00 0.00 H new ATOM 898 N GLY A 60 94.162 -16.141 9.921 1.00 0.00 N ATOM 899 CA GLY A 60 95.595 -16.175 10.189 1.00 0.00 C ATOM 900 C GLY A 60 96.266 -14.889 9.724 1.00 0.00 C ATOM 901 O GLY A 60 97.199 -14.398 10.361 1.00 0.00 O ATOM 0 H GLY A 60 93.912 -15.829 8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 60 95.766 -16.314 11.257 1.00 0.00 H new ATOM 0 HA3 GLY A 60 96.044 -17.028 9.681 1.00 0.00 H new ATOM 905 N GLY A 61 95.787 -14.346 8.609 1.00 0.00 N ATOM 906 CA GLY A 61 96.351 -13.116 8.068 1.00 0.00 C ATOM 907 C GLY A 61 95.534 -12.618 6.881 1.00 0.00 C ATOM 908 O GLY A 61 96.088 -12.128 5.897 1.00 0.00 O ATOM 0 H GLY A 61 95.016 -14.735 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 61 96.376 -12.351 8.844 1.00 0.00 H new ATOM 0 HA3 GLY A 61 97.382 -13.289 7.758 1.00 0.00 H new ATOM 912 N LEU A 62 94.215 -12.747 6.980 1.00 0.00 N ATOM 913 CA LEU A 62 93.329 -12.306 5.911 1.00 0.00 C ATOM 914 C LEU A 62 93.869 -11.040 5.252 1.00 0.00 C ATOM 915 O LEU A 62 94.325 -10.121 5.931 1.00 0.00 O ATOM 916 CB LEU A 62 91.932 -12.036 6.472 1.00 0.00 C ATOM 917 CG LEU A 62 90.903 -12.851 5.687 1.00 0.00 C ATOM 918 CD1 LEU A 62 91.109 -14.340 5.969 1.00 0.00 C ATOM 919 CD2 LEU A 62 89.490 -12.443 6.113 1.00 0.00 C ATOM 0 H LEU A 62 93.739 -13.152 7.786 1.00 0.00 H new ATOM 0 HA LEU A 62 93.274 -13.095 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.894 -12.303 7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 62 91.700 -10.973 6.403 1.00 0.00 H new ATOM 0 HG LEU A 62 91.029 -12.661 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 62 90.376 -14.921 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 62 92.114 -14.633 5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 62 90.985 -14.529 7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 62 88.759 -13.025 5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 62 89.363 -12.631 7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 62 89.341 -11.382 5.911 1.00 0.00 H new ATOM 931 N LYS A 63 93.811 -11.001 3.924 1.00 0.00 N ATOM 932 CA LYS A 63 94.296 -9.843 3.181 1.00 0.00 C ATOM 933 C LYS A 63 93.142 -8.902 2.848 1.00 0.00 C ATOM 934 O LYS A 63 93.282 -7.682 2.923 1.00 0.00 O ATOM 935 CB LYS A 63 94.977 -10.300 1.889 1.00 0.00 C ATOM 936 CG LYS A 63 95.907 -11.476 2.190 1.00 0.00 C ATOM 937 CD LYS A 63 96.496 -12.009 0.883 1.00 0.00 C ATOM 938 CE LYS A 63 97.870 -12.621 1.154 1.00 0.00 C ATOM 939 NZ LYS A 63 98.907 -11.553 1.102 1.00 0.00 N ATOM 0 H LYS A 63 93.436 -11.752 3.344 1.00 0.00 H new ATOM 0 HA LYS A 63 95.017 -9.310 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 63 94.227 -10.595 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 63 95.544 -9.477 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 63 96.707 -11.159 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 63 95.358 -12.266 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 63 95.832 -12.758 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.583 -11.202 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 63 97.879 -13.104 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 63 98.089 -13.392 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 99.843 -11.968 1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 98.904 -11.111 0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 98.700 -10.833 1.823 1.00 0.00 H new ATOM 953 N SER A 64 92.004 -9.481 2.482 1.00 0.00 N ATOM 954 CA SER A 64 90.831 -8.686 2.139 1.00 0.00 C ATOM 955 C SER A 64 90.475 -7.736 3.279 1.00 0.00 C ATOM 956 O SER A 64 90.355 -6.528 3.077 1.00 0.00 O ATOM 957 CB SER A 64 89.644 -9.605 1.851 1.00 0.00 C ATOM 958 OG SER A 64 89.626 -10.660 2.803 1.00 0.00 O ATOM 0 H SER A 64 91.869 -10.490 2.415 1.00 0.00 H new ATOM 0 HA SER A 64 91.061 -8.099 1.250 1.00 0.00 H new ATOM 0 HB2 SER A 64 88.713 -9.041 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.720 -10.011 0.842 1.00 0.00 H new ATOM 0 HG SER A 64 88.865 -11.251 2.623 1.00 0.00 H new ATOM 964 N PHE A 65 90.308 -8.289 4.475 1.00 0.00 N ATOM 965 CA PHE A 65 89.965 -7.478 5.638 1.00 0.00 C ATOM 966 C PHE A 65 90.967 -6.342 5.815 1.00 0.00 C ATOM 967 O PHE A 65 90.598 -5.232 6.196 1.00 0.00 O ATOM 968 CB PHE A 65 89.949 -8.348 6.896 1.00 0.00 C ATOM 969 CG PHE A 65 89.825 -7.468 8.117 1.00 0.00 C ATOM 970 CD1 PHE A 65 88.636 -6.768 8.358 1.00 0.00 C ATOM 971 CD2 PHE A 65 90.897 -7.354 9.010 1.00 0.00 C ATOM 972 CE1 PHE A 65 88.522 -5.953 9.491 1.00 0.00 C ATOM 973 CE2 PHE A 65 90.783 -6.540 10.142 1.00 0.00 C ATOM 974 CZ PHE A 65 89.595 -5.839 10.384 1.00 0.00 C ATOM 0 H PHE A 65 90.403 -9.287 4.665 1.00 0.00 H new ATOM 0 HA PHE A 65 88.975 -7.051 5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 65 89.116 -9.050 6.855 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.862 -8.940 6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 65 87.808 -6.857 7.671 1.00 0.00 H new ATOM 0 HD2 PHE A 65 91.813 -7.895 8.825 1.00 0.00 H new ATOM 0 HE1 PHE A 65 87.606 -5.412 9.676 1.00 0.00 H new ATOM 0 HE2 PHE A 65 91.611 -6.452 10.829 1.00 0.00 H new ATOM 0 HZ PHE A 65 89.506 -5.211 11.258 1.00 0.00 H new ATOM 984 N THR A 66 92.236 -6.626 5.539 1.00 0.00 N ATOM 985 CA THR A 66 93.280 -5.617 5.676 1.00 0.00 C ATOM 986 C THR A 66 93.047 -4.463 4.706 1.00 0.00 C ATOM 987 O THR A 66 93.072 -3.298 5.101 1.00 0.00 O ATOM 988 CB THR A 66 94.652 -6.241 5.411 1.00 0.00 C ATOM 989 OG1 THR A 66 94.740 -7.489 6.087 1.00 0.00 O ATOM 990 CG2 THR A 66 95.748 -5.304 5.922 1.00 0.00 C ATOM 0 H THR A 66 92.564 -7.538 5.222 1.00 0.00 H new ATOM 0 HA THR A 66 93.249 -5.230 6.694 1.00 0.00 H new ATOM 0 HB THR A 66 94.781 -6.396 4.340 1.00 0.00 H new ATOM 0 HG1 THR A 66 94.403 -8.201 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.725 -5.749 5.733 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.679 -4.347 5.405 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.622 -5.147 6.993 1.00 0.00 H new ATOM 998 N THR A 67 92.813 -4.791 3.439 1.00 0.00 N ATOM 999 CA THR A 67 92.571 -3.768 2.435 1.00 0.00 C ATOM 1000 C THR A 67 91.356 -2.937 2.817 1.00 0.00 C ATOM 1001 O THR A 67 91.330 -1.725 2.618 1.00 0.00 O ATOM 1002 CB THR A 67 92.321 -4.420 1.081 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.471 -5.829 1.197 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.315 -3.881 0.051 1.00 0.00 C ATOM 0 H THR A 67 92.786 -5.748 3.088 1.00 0.00 H new ATOM 0 HA THR A 67 93.448 -3.124 2.377 1.00 0.00 H new ATOM 0 HB THR A 67 91.308 -4.188 0.754 1.00 0.00 H new ATOM 0 HG1 THR A 67 91.741 -6.192 1.741 1.00 0.00 H new ATOM 0 HG21 THR A 67 93.130 -4.352 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.193 -2.802 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.332 -4.105 0.375 1.00 0.00 H new ATOM 1012 N MET A 68 90.346 -3.606 3.363 1.00 0.00 N ATOM 1013 CA MET A 68 89.124 -2.925 3.766 1.00 0.00 C ATOM 1014 C MET A 68 89.456 -1.715 4.630 1.00 0.00 C ATOM 1015 O MET A 68 88.954 -0.618 4.392 1.00 0.00 O ATOM 1016 CB MET A 68 88.225 -3.883 4.549 1.00 0.00 C ATOM 1017 CG MET A 68 87.011 -4.256 3.698 1.00 0.00 C ATOM 1018 SD MET A 68 86.026 -2.774 3.372 1.00 0.00 S ATOM 1019 CE MET A 68 84.437 -3.609 3.138 1.00 0.00 C ATOM 0 H MET A 68 90.350 -4.611 3.535 1.00 0.00 H new ATOM 0 HA MET A 68 88.600 -2.590 2.871 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.781 -4.780 4.820 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.901 -3.416 5.479 1.00 0.00 H new ATOM 0 HG2 MET A 68 87.335 -4.704 2.759 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.406 -5.001 4.215 1.00 0.00 H new ATOM 0 HE1 MET A 68 83.791 -2.993 2.512 1.00 0.00 H new ATOM 0 HE2 MET A 68 84.600 -4.572 2.654 1.00 0.00 H new ATOM 0 HE3 MET A 68 83.962 -3.765 4.107 1.00 0.00 H new ATOM 1029 N GLN A 69 90.310 -1.919 5.627 1.00 0.00 N ATOM 1030 CA GLN A 69 90.703 -0.829 6.509 1.00 0.00 C ATOM 1031 C GLN A 69 91.724 0.067 5.818 1.00 0.00 C ATOM 1032 O GLN A 69 91.916 1.219 6.205 1.00 0.00 O ATOM 1033 CB GLN A 69 91.298 -1.385 7.804 1.00 0.00 C ATOM 1034 CG GLN A 69 90.169 -1.868 8.717 1.00 0.00 C ATOM 1035 CD GLN A 69 89.616 -0.701 9.526 1.00 0.00 C ATOM 1036 OE1 GLN A 69 89.107 0.264 8.957 1.00 0.00 O ATOM 1037 NE2 GLN A 69 89.686 -0.731 10.829 1.00 0.00 N ATOM 0 H GLN A 69 90.739 -2.819 5.842 1.00 0.00 H new ATOM 0 HA GLN A 69 89.817 -0.241 6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 69 91.977 -2.208 7.581 1.00 0.00 H new ATOM 0 HB3 GLN A 69 91.884 -0.616 8.308 1.00 0.00 H new ATOM 0 HG2 GLN A 69 89.374 -2.316 8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 69 90.539 -2.643 9.388 1.00 0.00 H new ATOM 0 HE21 GLN A 69 90.108 -1.532 11.299 1.00 0.00 H new ATOM 0 HE22 GLN A 69 89.318 0.046 11.378 1.00 0.00 H new ATOM 1046 N THR A 70 92.376 -0.470 4.791 1.00 0.00 N ATOM 1047 CA THR A 70 93.373 0.296 4.056 1.00 0.00 C ATOM 1048 C THR A 70 92.695 1.296 3.125 1.00 0.00 C ATOM 1049 O THR A 70 93.045 2.476 3.111 1.00 0.00 O ATOM 1050 CB THR A 70 94.266 -0.644 3.244 1.00 0.00 C ATOM 1051 OG1 THR A 70 94.468 -1.847 3.972 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.616 0.030 2.985 1.00 0.00 C ATOM 0 H THR A 70 92.233 -1.422 4.453 1.00 0.00 H new ATOM 0 HA THR A 70 93.987 0.842 4.772 1.00 0.00 H new ATOM 0 HB THR A 70 93.786 -0.870 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 70 93.600 -2.240 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.252 -0.640 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.460 0.954 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.098 0.257 3.936 1.00 0.00 H new ATOM 1060 N ALA A 71 91.721 0.824 2.349 1.00 0.00 N ATOM 1061 CA ALA A 71 91.010 1.703 1.426 1.00 0.00 C ATOM 1062 C ALA A 71 90.090 2.656 2.184 1.00 0.00 C ATOM 1063 O ALA A 71 89.895 3.798 1.772 1.00 0.00 O ATOM 1064 CB ALA A 71 90.190 0.879 0.432 1.00 0.00 C ATOM 0 H ALA A 71 91.410 -0.147 2.341 1.00 0.00 H new ATOM 0 HA ALA A 71 91.750 2.290 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 71 89.665 1.548 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 71 90.855 0.229 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.465 0.272 0.974 1.00 0.00 H new ATOM 1070 N LEU A 72 89.525 2.185 3.291 1.00 0.00 N ATOM 1071 CA LEU A 72 88.629 3.021 4.084 1.00 0.00 C ATOM 1072 C LEU A 72 89.319 4.329 4.455 1.00 0.00 C ATOM 1073 O LEU A 72 88.752 5.409 4.291 1.00 0.00 O ATOM 1074 CB LEU A 72 88.213 2.288 5.362 1.00 0.00 C ATOM 1075 CG LEU A 72 86.726 1.935 5.290 1.00 0.00 C ATOM 1076 CD1 LEU A 72 86.459 1.094 4.040 1.00 0.00 C ATOM 1077 CD2 LEU A 72 86.331 1.137 6.536 1.00 0.00 C ATOM 0 H LEU A 72 89.668 1.243 3.656 1.00 0.00 H new ATOM 0 HA LEU A 72 87.743 3.237 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.807 1.382 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 72 88.407 2.915 6.232 1.00 0.00 H new ATOM 0 HG LEU A 72 86.138 2.851 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 72 85.399 0.843 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 72 86.740 1.661 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.047 0.177 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 72 85.272 0.885 6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.920 0.221 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 72 86.520 1.736 7.427 1.00 0.00 H new ATOM 1089 N ASN A 73 90.543 4.221 4.959 1.00 0.00 N ATOM 1090 CA ASN A 73 91.302 5.403 5.355 1.00 0.00 C ATOM 1091 C ASN A 73 91.781 6.180 4.131 1.00 0.00 C ATOM 1092 O ASN A 73 91.710 7.408 4.099 1.00 0.00 O ATOM 1093 CB ASN A 73 92.507 4.988 6.201 1.00 0.00 C ATOM 1094 CG ASN A 73 92.074 3.993 7.272 1.00 0.00 C ATOM 1095 OD1 ASN A 73 92.775 3.015 7.532 1.00 0.00 O ATOM 1096 ND2 ASN A 73 90.953 4.183 7.913 1.00 0.00 N ATOM 0 H ASN A 73 91.028 3.335 5.103 1.00 0.00 H new ATOM 0 HA ASN A 73 90.647 6.048 5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 73 93.271 4.541 5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 73 92.954 5.866 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 73 90.657 3.521 8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 73 90.373 4.994 7.697 1.00 0.00 H new ATOM 1103 N SER A 74 92.274 5.460 3.128 1.00 0.00 N ATOM 1104 CA SER A 74 92.764 6.101 1.911 1.00 0.00 C ATOM 1105 C SER A 74 91.617 6.739 1.136 1.00 0.00 C ATOM 1106 O SER A 74 91.627 7.941 0.873 1.00 0.00 O ATOM 1107 CB SER A 74 93.469 5.072 1.026 1.00 0.00 C ATOM 1108 OG SER A 74 92.895 5.101 -0.274 1.00 0.00 O ATOM 0 H SER A 74 92.345 4.442 3.132 1.00 0.00 H new ATOM 0 HA SER A 74 93.470 6.881 2.196 1.00 0.00 H new ATOM 0 HB2 SER A 74 94.535 5.292 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 74 93.371 4.076 1.457 1.00 0.00 H new ATOM 0 HG SER A 74 92.668 4.189 -0.552 1.00 0.00 H new ATOM 1114 N LEU A 75 90.631 5.928 0.773 1.00 0.00 N ATOM 1115 CA LEU A 75 89.482 6.431 0.029 1.00 0.00 C ATOM 1116 C LEU A 75 88.829 7.581 0.785 1.00 0.00 C ATOM 1117 O LEU A 75 88.207 8.459 0.186 1.00 0.00 O ATOM 1118 CB LEU A 75 88.468 5.305 -0.196 1.00 0.00 C ATOM 1119 CG LEU A 75 87.564 5.156 1.033 1.00 0.00 C ATOM 1120 CD1 LEU A 75 86.414 6.174 0.987 1.00 0.00 C ATOM 1121 CD2 LEU A 75 86.983 3.742 1.052 1.00 0.00 C ATOM 0 H LEU A 75 90.603 4.929 0.979 1.00 0.00 H new ATOM 0 HA LEU A 75 89.823 6.797 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.864 5.520 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 75 88.990 4.368 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 75 88.155 5.337 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 75 85.784 6.051 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 75 86.823 7.184 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 75 85.818 6.009 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.338 3.625 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.402 3.575 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.794 3.016 1.102 1.00 0.00 H new ATOM 1133 N ALA A 76 88.981 7.574 2.106 1.00 0.00 N ATOM 1134 CA ALA A 76 88.406 8.626 2.935 1.00 0.00 C ATOM 1135 C ALA A 76 89.110 9.951 2.665 1.00 0.00 C ATOM 1136 O ALA A 76 88.527 11.022 2.833 1.00 0.00 O ATOM 1137 CB ALA A 76 88.544 8.263 4.415 1.00 0.00 C ATOM 0 H ALA A 76 89.493 6.858 2.621 1.00 0.00 H new ATOM 0 HA ALA A 76 87.349 8.726 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 76 88.111 9.055 5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.020 7.327 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 76 89.599 8.147 4.664 1.00 0.00 H new ATOM 1143 N GLY A 77 90.367 9.867 2.241 1.00 0.00 N ATOM 1144 CA GLY A 77 91.144 11.065 1.944 1.00 0.00 C ATOM 1145 C GLY A 77 90.606 11.759 0.699 1.00 0.00 C ATOM 1146 O GLY A 77 90.534 12.986 0.642 1.00 0.00 O ATOM 0 H GLY A 77 90.866 8.989 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 77 91.107 11.748 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 77 92.190 10.798 1.795 1.00 0.00 H new ATOM 1150 N TYR A 78 90.229 10.963 -0.298 1.00 0.00 N ATOM 1151 CA TYR A 78 89.697 11.511 -1.540 1.00 0.00 C ATOM 1152 C TYR A 78 88.446 12.343 -1.269 1.00 0.00 C ATOM 1153 O TYR A 78 88.113 13.247 -2.035 1.00 0.00 O ATOM 1154 CB TYR A 78 89.355 10.378 -2.509 1.00 0.00 C ATOM 1155 CG TYR A 78 88.063 10.701 -3.223 1.00 0.00 C ATOM 1156 CD1 TYR A 78 88.055 11.635 -4.266 1.00 0.00 C ATOM 1157 CD2 TYR A 78 86.875 10.069 -2.840 1.00 0.00 C ATOM 1158 CE1 TYR A 78 86.858 11.935 -4.926 1.00 0.00 C ATOM 1159 CE2 TYR A 78 85.678 10.369 -3.499 1.00 0.00 C ATOM 1160 CZ TYR A 78 85.669 11.303 -4.542 1.00 0.00 C ATOM 1161 OH TYR A 78 84.489 11.601 -5.194 1.00 0.00 O ATOM 0 H TYR A 78 90.282 9.945 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 78 90.458 12.152 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.160 10.248 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.258 9.438 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 78 88.972 12.124 -4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 78 86.882 9.349 -2.035 1.00 0.00 H new ATOM 0 HE1 TYR A 78 86.851 12.654 -5.732 1.00 0.00 H new ATOM 0 HE2 TYR A 78 84.761 9.880 -3.203 1.00 0.00 H new ATOM 0 HH TYR A 78 84.660 12.268 -5.891 1.00 0.00 H new ATOM 1171 N TYR A 79 87.755 12.028 -0.178 1.00 0.00 N ATOM 1172 CA TYR A 79 86.540 12.752 0.181 1.00 0.00 C ATOM 1173 C TYR A 79 86.877 14.036 0.934 1.00 0.00 C ATOM 1174 O TYR A 79 86.096 14.987 0.934 1.00 0.00 O ATOM 1175 CB TYR A 79 85.642 11.870 1.048 1.00 0.00 C ATOM 1176 CG TYR A 79 84.876 12.733 2.024 1.00 0.00 C ATOM 1177 CD1 TYR A 79 83.717 13.400 1.608 1.00 0.00 C ATOM 1178 CD2 TYR A 79 85.324 12.864 3.343 1.00 0.00 C ATOM 1179 CE1 TYR A 79 83.006 14.198 2.512 1.00 0.00 C ATOM 1180 CE2 TYR A 79 84.614 13.663 4.248 1.00 0.00 C ATOM 1181 CZ TYR A 79 83.456 14.330 3.832 1.00 0.00 C ATOM 1182 OH TYR A 79 82.755 15.117 4.724 1.00 0.00 O ATOM 0 H TYR A 79 88.013 11.282 0.469 1.00 0.00 H new ATOM 0 HA TYR A 79 86.015 13.014 -0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 79 84.949 11.310 0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 79 86.244 11.139 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 79 83.372 13.299 0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 79 86.218 12.349 3.663 1.00 0.00 H new ATOM 0 HE1 TYR A 79 82.111 14.711 2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 79 84.960 13.764 5.266 1.00 0.00 H new ATOM 0 HH TYR A 79 83.201 15.099 5.596 1.00 0.00 H new ATOM 1192 N THR A 80 88.041 14.054 1.576 1.00 0.00 N ATOM 1193 CA THR A 80 88.471 15.227 2.332 1.00 0.00 C ATOM 1194 C THR A 80 88.019 16.509 1.637 1.00 0.00 C ATOM 1195 O THR A 80 87.144 17.219 2.131 1.00 0.00 O ATOM 1196 CB THR A 80 89.995 15.229 2.472 1.00 0.00 C ATOM 1197 OG1 THR A 80 90.403 14.084 3.208 1.00 0.00 O ATOM 1198 CG2 THR A 80 90.440 16.495 3.206 1.00 0.00 C ATOM 0 H THR A 80 88.700 13.276 1.589 1.00 0.00 H new ATOM 0 HA THR A 80 88.016 15.185 3.322 1.00 0.00 H new ATOM 0 HB THR A 80 90.451 15.207 1.482 1.00 0.00 H new ATOM 0 HG1 THR A 80 91.379 14.083 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 80 91.525 16.496 3.305 1.00 0.00 H new ATOM 0 HG22 THR A 80 90.127 17.373 2.640 1.00 0.00 H new ATOM 0 HG23 THR A 80 89.985 16.520 4.196 1.00 0.00 H new ATOM 1206 N SER A 81 88.622 16.796 0.489 1.00 0.00 N ATOM 1207 CA SER A 81 88.274 17.994 -0.267 1.00 0.00 C ATOM 1208 C SER A 81 89.018 18.017 -1.598 1.00 0.00 C ATOM 1209 O SER A 81 88.824 18.918 -2.414 1.00 0.00 O ATOM 1210 CB SER A 81 88.629 19.244 0.539 1.00 0.00 C ATOM 1211 OG SER A 81 87.789 20.317 0.131 1.00 0.00 O ATOM 0 H SER A 81 89.349 16.221 0.064 1.00 0.00 H new ATOM 0 HA SER A 81 87.201 17.981 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 81 88.503 19.052 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 81 89.676 19.506 0.384 1.00 0.00 H new ATOM 0 HG SER A 81 87.787 20.377 -0.847 1.00 0.00 H new ATOM 1217 N TYR A 82 89.867 17.018 -1.809 1.00 0.00 N ATOM 1218 CA TYR A 82 90.636 16.929 -3.044 1.00 0.00 C ATOM 1219 C TYR A 82 89.774 17.316 -4.241 1.00 0.00 C ATOM 1220 O TYR A 82 89.951 18.383 -4.828 1.00 0.00 O ATOM 1221 CB TYR A 82 91.160 15.504 -3.230 1.00 0.00 C ATOM 1222 CG TYR A 82 92.646 15.542 -3.494 1.00 0.00 C ATOM 1223 CD1 TYR A 82 93.148 16.299 -4.559 1.00 0.00 C ATOM 1224 CD2 TYR A 82 93.522 14.820 -2.673 1.00 0.00 C ATOM 1225 CE1 TYR A 82 94.526 16.334 -4.804 1.00 0.00 C ATOM 1226 CE2 TYR A 82 94.900 14.856 -2.918 1.00 0.00 C ATOM 1227 CZ TYR A 82 95.402 15.612 -3.984 1.00 0.00 C ATOM 1228 OH TYR A 82 96.760 15.647 -4.227 1.00 0.00 O ATOM 0 H TYR A 82 90.040 16.263 -1.145 1.00 0.00 H new ATOM 0 HA TYR A 82 91.476 17.620 -2.978 1.00 0.00 H new ATOM 0 HB2 TYR A 82 90.954 14.911 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 82 90.645 15.022 -4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 82 92.473 16.856 -5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 82 93.134 14.236 -1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 82 94.914 16.918 -5.626 1.00 0.00 H new ATOM 0 HE2 TYR A 82 95.576 14.301 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 82 97.225 15.093 -3.566 1.00 0.00 H new ATOM 1238 N GLY A 83 88.838 16.442 -4.597 1.00 0.00 N ATOM 1239 CA GLY A 83 87.952 16.702 -5.725 1.00 0.00 C ATOM 1240 C GLY A 83 88.192 15.698 -6.847 1.00 0.00 C ATOM 1241 O GLY A 83 88.949 14.741 -6.684 1.00 0.00 O ATOM 0 H GLY A 83 88.674 15.553 -4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 83 86.914 16.646 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 83 88.116 17.714 -6.096 1.00 0.00 H new ATOM 1245 N ALA A 84 87.542 15.922 -7.986 1.00 0.00 N ATOM 1246 CA ALA A 84 87.694 15.027 -9.127 1.00 0.00 C ATOM 1247 C ALA A 84 89.071 15.192 -9.760 1.00 0.00 C ATOM 1248 O ALA A 84 89.206 15.196 -10.984 1.00 0.00 O ATOM 1249 CB ALA A 84 86.614 15.318 -10.171 1.00 0.00 C ATOM 0 H ALA A 84 86.911 16.708 -8.142 1.00 0.00 H new ATOM 0 HA ALA A 84 87.589 14.001 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 84 86.737 14.644 -11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 84 85.630 15.168 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 84 86.705 16.350 -10.511 1.00 0.00 H new ATOM 1255 N ARG A 85 90.090 15.328 -8.919 1.00 0.00 N ATOM 1256 CA ARG A 85 91.454 15.489 -9.409 1.00 0.00 C ATOM 1257 C ARG A 85 92.104 14.124 -9.623 1.00 0.00 C ATOM 1258 O ARG A 85 91.686 13.130 -9.030 1.00 0.00 O ATOM 1259 CB ARG A 85 92.280 16.295 -8.402 1.00 0.00 C ATOM 1260 CG ARG A 85 92.353 17.760 -8.843 1.00 0.00 C ATOM 1261 CD ARG A 85 90.960 18.388 -8.771 1.00 0.00 C ATOM 1262 NE ARG A 85 90.560 18.879 -10.085 1.00 0.00 N ATOM 1263 CZ ARG A 85 89.284 19.131 -10.365 1.00 0.00 C ATOM 1264 NH1 ARG A 85 88.366 18.936 -9.459 1.00 0.00 N ATOM 1265 NH2 ARG A 85 88.951 19.574 -11.547 1.00 0.00 N ATOM 0 H ARG A 85 89.999 15.330 -7.903 1.00 0.00 H new ATOM 0 HA ARG A 85 91.421 16.022 -10.359 1.00 0.00 H new ATOM 0 HB2 ARG A 85 91.830 16.226 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.284 15.878 -8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.044 18.309 -8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 85 92.740 17.825 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 85 90.239 17.652 -8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 85 90.959 19.208 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 85 91.270 19.032 -10.801 1.00 0.00 H new ATOM 0 HH11 ARG A 85 88.626 18.590 -8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.388 19.129 -9.674 1.00 0.00 H new ATOM 0 HH21 ARG A 85 89.669 19.727 -12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 85 87.973 19.767 -11.762 1.00 0.00 H new ATOM 1279 N PRO A 86 93.115 14.061 -10.449 1.00 0.00 N ATOM 1280 CA PRO A 86 93.838 12.794 -10.738 1.00 0.00 C ATOM 1281 C PRO A 86 94.034 11.947 -9.483 1.00 0.00 C ATOM 1282 O PRO A 86 94.872 12.259 -8.638 1.00 0.00 O ATOM 1283 CB PRO A 86 95.181 13.272 -11.287 1.00 0.00 C ATOM 1284 CG PRO A 86 94.916 14.613 -11.895 1.00 0.00 C ATOM 1285 CD PRO A 86 93.679 15.194 -11.201 1.00 0.00 C ATOM 0 HA PRO A 86 93.290 12.153 -11.428 1.00 0.00 H new ATOM 0 HB2 PRO A 86 95.926 13.342 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 86 95.571 12.576 -12.030 1.00 0.00 H new ATOM 0 HG2 PRO A 86 95.775 15.271 -11.763 1.00 0.00 H new ATOM 0 HG3 PRO A 86 94.747 14.521 -12.968 1.00 0.00 H new ATOM 0 HD2 PRO A 86 93.945 16.018 -10.538 1.00 0.00 H new ATOM 0 HD3 PRO A 86 92.964 15.586 -11.925 1.00 0.00 H new ATOM 1293 N ILE A 87 93.254 10.874 -9.371 1.00 0.00 N ATOM 1294 CA ILE A 87 93.345 9.986 -8.214 1.00 0.00 C ATOM 1295 C ILE A 87 94.799 9.563 -7.972 1.00 0.00 C ATOM 1296 O ILE A 87 95.351 8.779 -8.744 1.00 0.00 O ATOM 1297 CB ILE A 87 92.494 8.738 -8.461 1.00 0.00 C ATOM 1298 CG1 ILE A 87 91.060 9.157 -8.796 1.00 0.00 C ATOM 1299 CG2 ILE A 87 92.487 7.866 -7.204 1.00 0.00 C ATOM 1300 CD1 ILE A 87 90.235 7.917 -9.144 1.00 0.00 C ATOM 0 H ILE A 87 92.556 10.599 -10.062 1.00 0.00 H new ATOM 0 HA ILE A 87 92.981 10.520 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 87 92.913 8.173 -9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 87 90.614 9.677 -7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 87 91.060 9.854 -9.634 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.881 6.978 -7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 87 93.507 7.567 -6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 87 92.068 8.431 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 87 89.214 8.215 -9.383 1.00 0.00 H new ATOM 0 HD12 ILE A 87 90.677 7.415 -10.005 1.00 0.00 H new ATOM 0 HD13 ILE A 87 90.225 7.236 -8.293 1.00 0.00 H new ATOM 1312 N PRO A 88 95.436 10.055 -6.929 1.00 0.00 N ATOM 1313 CA PRO A 88 96.852 9.693 -6.622 1.00 0.00 C ATOM 1314 C PRO A 88 97.079 8.184 -6.660 1.00 0.00 C ATOM 1315 O PRO A 88 96.222 7.406 -6.241 1.00 0.00 O ATOM 1316 CB PRO A 88 97.077 10.241 -5.212 1.00 0.00 C ATOM 1317 CG PRO A 88 96.093 11.350 -5.055 1.00 0.00 C ATOM 1318 CD PRO A 88 94.892 10.998 -5.932 1.00 0.00 C ATOM 0 HA PRO A 88 97.545 10.105 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.920 9.467 -4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.098 10.602 -5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 88 95.793 11.457 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.530 12.301 -5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 88 94.092 10.543 -5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.474 11.884 -6.409 1.00 0.00 H new ATOM 1326 N GLU A 89 98.240 7.780 -7.166 1.00 0.00 N ATOM 1327 CA GLU A 89 98.573 6.364 -7.255 1.00 0.00 C ATOM 1328 C GLU A 89 98.194 5.640 -5.967 1.00 0.00 C ATOM 1329 O GLU A 89 97.781 4.486 -5.995 1.00 0.00 O ATOM 1330 CB GLU A 89 100.071 6.199 -7.516 1.00 0.00 C ATOM 1331 CG GLU A 89 100.358 6.424 -9.001 1.00 0.00 C ATOM 1332 CD GLU A 89 100.024 7.862 -9.384 1.00 0.00 C ATOM 1333 OE1 GLU A 89 100.869 8.719 -9.187 1.00 0.00 O ATOM 1334 OE2 GLU A 89 98.927 8.085 -9.870 1.00 0.00 O ATOM 0 H GLU A 89 98.961 8.409 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 89 98.009 5.927 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 89 100.636 6.910 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 89 100.395 5.201 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 89 101.407 6.217 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 89 99.769 5.732 -9.603 1.00 0.00 H new ATOM 1341 N LYS A 90 98.330 6.324 -4.841 1.00 0.00 N ATOM 1342 CA LYS A 90 97.992 5.729 -3.557 1.00 0.00 C ATOM 1343 C LYS A 90 96.532 5.309 -3.544 1.00 0.00 C ATOM 1344 O LYS A 90 96.213 4.159 -3.265 1.00 0.00 O ATOM 1345 CB LYS A 90 98.241 6.729 -2.429 1.00 0.00 C ATOM 1346 CG LYS A 90 99.745 6.871 -2.193 1.00 0.00 C ATOM 1347 CD LYS A 90 100.000 7.995 -1.188 1.00 0.00 C ATOM 1348 CE LYS A 90 101.390 7.823 -0.574 1.00 0.00 C ATOM 1349 NZ LYS A 90 101.585 8.834 0.504 1.00 0.00 N ATOM 0 H LYS A 90 98.669 7.284 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 90 98.622 4.852 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.810 7.697 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 90 97.749 6.393 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.155 5.933 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 90 100.253 7.087 -3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 90 99.926 8.963 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 90 99.241 7.978 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 90 101.498 6.817 -0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 90 102.155 7.941 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 102.530 8.718 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 101.499 9.790 0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 100.862 8.701 1.240 1.00 0.00 H new ATOM 1363 N LEU A 91 95.652 6.247 -3.869 1.00 0.00 N ATOM 1364 CA LEU A 91 94.231 5.970 -3.909 1.00 0.00 C ATOM 1365 C LEU A 91 93.931 5.110 -5.115 1.00 0.00 C ATOM 1366 O LEU A 91 93.266 4.087 -5.017 1.00 0.00 O ATOM 1367 CB LEU A 91 93.453 7.280 -3.999 1.00 0.00 C ATOM 1368 CG LEU A 91 93.163 7.788 -2.590 1.00 0.00 C ATOM 1369 CD1 LEU A 91 94.461 7.818 -1.779 1.00 0.00 C ATOM 1370 CD2 LEU A 91 92.577 9.199 -2.663 1.00 0.00 C ATOM 0 H LEU A 91 95.903 7.206 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 91 93.933 5.444 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.028 8.021 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.521 7.127 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 91 92.447 7.122 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 91 94.253 8.181 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 91 94.878 6.813 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 91 95.177 8.482 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 91 92.371 9.560 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 91 93.291 9.865 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 91 91.651 9.179 -3.238 1.00 0.00 H new ATOM 1382 N LYS A 92 94.442 5.527 -6.254 1.00 0.00 N ATOM 1383 CA LYS A 92 94.234 4.775 -7.467 1.00 0.00 C ATOM 1384 C LYS A 92 94.724 3.348 -7.271 1.00 0.00 C ATOM 1385 O LYS A 92 93.959 2.408 -7.410 1.00 0.00 O ATOM 1386 CB LYS A 92 94.980 5.427 -8.632 1.00 0.00 C ATOM 1387 CG LYS A 92 94.128 5.328 -9.898 1.00 0.00 C ATOM 1388 CD LYS A 92 94.857 6.007 -11.060 1.00 0.00 C ATOM 1389 CE LYS A 92 94.517 5.287 -12.366 1.00 0.00 C ATOM 1390 NZ LYS A 92 93.038 5.205 -12.519 1.00 0.00 N ATOM 0 H LYS A 92 94.999 6.375 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 92 93.169 4.764 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 92 95.192 6.471 -8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.939 4.933 -8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 92 93.934 4.282 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 92 93.160 5.802 -9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 92 94.565 7.055 -11.124 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.933 5.986 -10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 92 94.951 5.821 -13.211 1.00 0.00 H new ATOM 0 HE3 LYS A 92 94.949 4.286 -12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 92.800 5.054 -13.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 92.674 4.412 -11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 92.605 6.092 -12.190 1.00 0.00 H new ATOM 1404 N LYS A 93 96.000 3.197 -6.924 1.00 0.00 N ATOM 1405 CA LYS A 93 96.571 1.871 -6.700 1.00 0.00 C ATOM 1406 C LYS A 93 95.843 1.152 -5.580 1.00 0.00 C ATOM 1407 O LYS A 93 95.533 -0.029 -5.688 1.00 0.00 O ATOM 1408 CB LYS A 93 98.061 1.968 -6.362 1.00 0.00 C ATOM 1409 CG LYS A 93 98.698 0.581 -6.462 1.00 0.00 C ATOM 1410 CD LYS A 93 100.132 0.641 -5.929 1.00 0.00 C ATOM 1411 CE LYS A 93 100.818 -0.708 -6.150 1.00 0.00 C ATOM 1412 NZ LYS A 93 102.269 -0.585 -5.828 1.00 0.00 N ATOM 0 H LYS A 93 96.654 3.969 -6.793 1.00 0.00 H new ATOM 0 HA LYS A 93 96.454 1.302 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 93 98.556 2.657 -7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 93 98.191 2.368 -5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 93 98.115 -0.141 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 93 98.697 0.242 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 93 100.687 1.430 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 93 100.126 0.888 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 93 100.358 -1.470 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 93 100.690 -1.029 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 102.737 -1.502 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 102.702 0.130 -6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 102.381 -0.297 -4.835 1.00 0.00 H new ATOM 1426 N ARG A 94 95.567 1.871 -4.509 1.00 0.00 N ATOM 1427 CA ARG A 94 94.860 1.275 -3.381 1.00 0.00 C ATOM 1428 C ARG A 94 93.442 0.917 -3.799 1.00 0.00 C ATOM 1429 O ARG A 94 93.043 -0.241 -3.732 1.00 0.00 O ATOM 1430 CB ARG A 94 94.821 2.237 -2.191 1.00 0.00 C ATOM 1431 CG ARG A 94 94.039 1.595 -1.046 1.00 0.00 C ATOM 1432 CD ARG A 94 94.834 1.735 0.252 1.00 0.00 C ATOM 1433 NE ARG A 94 95.326 3.102 0.399 1.00 0.00 N ATOM 1434 CZ ARG A 94 96.436 3.365 1.081 1.00 0.00 C ATOM 1435 NH1 ARG A 94 97.105 2.395 1.643 1.00 0.00 N ATOM 1436 NH2 ARG A 94 96.854 4.596 1.191 1.00 0.00 N ATOM 0 H ARG A 94 95.815 2.853 -4.392 1.00 0.00 H new ATOM 0 HA ARG A 94 95.392 0.374 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 94 95.834 2.473 -1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.353 3.177 -2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 94 93.065 2.074 -0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 94 93.855 0.542 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 94 94.204 1.474 1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 94 95.672 1.038 0.251 1.00 0.00 H new ATOM 0 HE ARG A 94 94.808 3.869 -0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 94 96.776 1.433 1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 94 97.957 2.599 2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 94 96.329 5.354 0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 94 97.706 4.801 1.714 1.00 0.00 H new ATOM 1450 N LEU A 95 92.691 1.918 -4.242 1.00 0.00 N ATOM 1451 CA LEU A 95 91.321 1.699 -4.688 1.00 0.00 C ATOM 1452 C LEU A 95 91.296 0.743 -5.871 1.00 0.00 C ATOM 1453 O LEU A 95 90.394 -0.076 -5.990 1.00 0.00 O ATOM 1454 CB LEU A 95 90.683 3.031 -5.081 1.00 0.00 C ATOM 1455 CG LEU A 95 90.707 3.959 -3.868 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.410 5.398 -4.297 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.657 3.511 -2.847 1.00 0.00 C ATOM 0 H LEU A 95 93.006 2.886 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 95 90.753 1.257 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 95 91.227 3.480 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.658 2.875 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 95 91.698 3.915 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.430 6.050 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 95 91.163 5.727 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.425 5.443 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.680 4.178 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.668 3.543 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 95 89.874 2.493 -2.524 1.00 0.00 H new ATOM 1469 N GLN A 96 92.302 0.845 -6.734 1.00 0.00 N ATOM 1470 CA GLN A 96 92.386 -0.041 -7.898 1.00 0.00 C ATOM 1471 C GLN A 96 92.785 -1.432 -7.449 1.00 0.00 C ATOM 1472 O GLN A 96 92.108 -2.411 -7.746 1.00 0.00 O ATOM 1473 CB GLN A 96 93.399 0.466 -8.930 1.00 0.00 C ATOM 1474 CG GLN A 96 93.412 -0.477 -10.133 1.00 0.00 C ATOM 1475 CD GLN A 96 93.375 0.328 -11.426 1.00 0.00 C ATOM 1476 OE1 GLN A 96 94.408 0.812 -11.888 1.00 0.00 O ATOM 1477 NE2 GLN A 96 92.237 0.502 -12.043 1.00 0.00 N ATOM 0 H GLN A 96 93.062 1.521 -6.655 1.00 0.00 H new ATOM 0 HA GLN A 96 91.404 -0.061 -8.371 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.137 1.475 -9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 96 94.393 0.520 -8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 96 94.306 -1.100 -10.108 1.00 0.00 H new ATOM 0 HG3 GLN A 96 92.555 -1.149 -10.088 1.00 0.00 H new ATOM 0 HE21 GLN A 96 91.382 0.100 -11.659 1.00 0.00 H new ATOM 0 HE22 GLN A 96 92.203 1.040 -12.909 1.00 0.00 H new ATOM 1486 N LEU A 97 93.878 -1.505 -6.708 1.00 0.00 N ATOM 1487 CA LEU A 97 94.349 -2.779 -6.191 1.00 0.00 C ATOM 1488 C LEU A 97 93.293 -3.337 -5.253 1.00 0.00 C ATOM 1489 O LEU A 97 93.048 -4.538 -5.214 1.00 0.00 O ATOM 1490 CB LEU A 97 95.673 -2.603 -5.441 1.00 0.00 C ATOM 1491 CG LEU A 97 96.223 -3.973 -5.039 1.00 0.00 C ATOM 1492 CD1 LEU A 97 97.093 -4.527 -6.170 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.069 -3.828 -3.771 1.00 0.00 C ATOM 0 H LEU A 97 94.453 -0.702 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 97 94.520 -3.467 -7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.393 -2.082 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.521 -1.987 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 97 95.395 -4.656 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 97 97.485 -5.503 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 97 96.493 -4.628 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.922 -3.845 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 97 97.462 -4.803 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.897 -3.145 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.451 -3.433 -2.965 1.00 0.00 H new ATOM 1505 N GLU A 98 92.650 -2.441 -4.514 1.00 0.00 N ATOM 1506 CA GLU A 98 91.593 -2.841 -3.602 1.00 0.00 C ATOM 1507 C GLU A 98 90.354 -3.195 -4.408 1.00 0.00 C ATOM 1508 O GLU A 98 89.717 -4.214 -4.162 1.00 0.00 O ATOM 1509 CB GLU A 98 91.263 -1.719 -2.617 1.00 0.00 C ATOM 1510 CG GLU A 98 90.157 -2.188 -1.671 1.00 0.00 C ATOM 1511 CD GLU A 98 88.863 -1.439 -1.971 1.00 0.00 C ATOM 1512 OE1 GLU A 98 88.834 -0.239 -1.753 1.00 0.00 O ATOM 1513 OE2 GLU A 98 87.922 -2.075 -2.414 1.00 0.00 O ATOM 0 H GLU A 98 92.842 -1.439 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 98 91.930 -3.705 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 98 92.152 -1.445 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 98 90.942 -0.828 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 98 90.001 -3.261 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 98 90.455 -2.017 -0.637 1.00 0.00 H new ATOM 1520 N PHE A 99 90.033 -2.355 -5.391 1.00 0.00 N ATOM 1521 CA PHE A 99 88.875 -2.605 -6.246 1.00 0.00 C ATOM 1522 C PHE A 99 89.086 -3.895 -6.992 1.00 0.00 C ATOM 1523 O PHE A 99 88.171 -4.686 -7.146 1.00 0.00 O ATOM 1524 CB PHE A 99 88.686 -1.485 -7.262 1.00 0.00 C ATOM 1525 CG PHE A 99 87.674 -1.893 -8.309 1.00 0.00 C ATOM 1526 CD1 PHE A 99 88.045 -2.763 -9.343 1.00 0.00 C ATOM 1527 CD2 PHE A 99 86.367 -1.395 -8.249 1.00 0.00 C ATOM 1528 CE1 PHE A 99 87.109 -3.134 -10.315 1.00 0.00 C ATOM 1529 CE2 PHE A 99 85.431 -1.768 -9.222 1.00 0.00 C ATOM 1530 CZ PHE A 99 85.802 -2.637 -10.253 1.00 0.00 C ATOM 0 H PHE A 99 90.552 -1.505 -5.613 1.00 0.00 H new ATOM 0 HA PHE A 99 87.989 -2.659 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.352 -0.579 -6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.638 -1.252 -7.738 1.00 0.00 H new ATOM 0 HD1 PHE A 99 89.053 -3.147 -9.390 1.00 0.00 H new ATOM 0 HD2 PHE A 99 86.081 -0.724 -7.453 1.00 0.00 H new ATOM 0 HE1 PHE A 99 87.395 -3.804 -11.113 1.00 0.00 H new ATOM 0 HE2 PHE A 99 84.422 -1.384 -9.176 1.00 0.00 H new ATOM 0 HZ PHE A 99 85.079 -2.925 -11.002 1.00 0.00 H new ATOM 1540 N THR A 100 90.309 -4.105 -7.455 1.00 0.00 N ATOM 1541 CA THR A 100 90.606 -5.330 -8.174 1.00 0.00 C ATOM 1542 C THR A 100 90.763 -6.459 -7.170 1.00 0.00 C ATOM 1543 O THR A 100 90.188 -7.530 -7.333 1.00 0.00 O ATOM 1544 CB THR A 100 91.862 -5.172 -9.042 1.00 0.00 C ATOM 1545 OG1 THR A 100 91.669 -5.858 -10.271 1.00 0.00 O ATOM 1546 CG2 THR A 100 93.098 -5.740 -8.337 1.00 0.00 C ATOM 0 H THR A 100 91.092 -3.460 -7.349 1.00 0.00 H new ATOM 0 HA THR A 100 89.784 -5.564 -8.851 1.00 0.00 H new ATOM 0 HB THR A 100 92.026 -4.109 -9.220 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.468 -5.759 -10.830 1.00 0.00 H new ATOM 0 HG21 THR A 100 93.972 -5.614 -8.976 1.00 0.00 H new ATOM 0 HG22 THR A 100 93.256 -5.211 -7.397 1.00 0.00 H new ATOM 0 HG23 THR A 100 92.947 -6.800 -8.135 1.00 0.00 H new ATOM 1554 N GLN A 101 91.505 -6.205 -6.102 1.00 0.00 N ATOM 1555 CA GLN A 101 91.666 -7.229 -5.077 1.00 0.00 C ATOM 1556 C GLN A 101 90.300 -7.532 -4.480 1.00 0.00 C ATOM 1557 O GLN A 101 90.033 -8.646 -4.037 1.00 0.00 O ATOM 1558 CB GLN A 101 92.629 -6.774 -3.979 1.00 0.00 C ATOM 1559 CG GLN A 101 92.740 -7.866 -2.911 1.00 0.00 C ATOM 1560 CD GLN A 101 93.230 -9.166 -3.542 1.00 0.00 C ATOM 1561 OE1 GLN A 101 92.627 -10.221 -3.340 1.00 0.00 O ATOM 1562 NE2 GLN A 101 94.294 -9.155 -4.296 1.00 0.00 N ATOM 0 H GLN A 101 91.992 -5.327 -5.923 1.00 0.00 H new ATOM 0 HA GLN A 101 92.090 -8.124 -5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.611 -6.566 -4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.273 -5.847 -3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 101 93.429 -7.551 -2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 101 91.770 -8.024 -2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 101 94.792 -8.281 -4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 101 94.628 -10.021 -4.719 1.00 0.00 H new ATOM 1571 N ALA A 102 89.431 -6.526 -4.494 1.00 0.00 N ATOM 1572 CA ALA A 102 88.076 -6.687 -3.982 1.00 0.00 C ATOM 1573 C ALA A 102 87.173 -7.243 -5.070 1.00 0.00 C ATOM 1574 O ALA A 102 86.518 -8.264 -4.887 1.00 0.00 O ATOM 1575 CB ALA A 102 87.522 -5.346 -3.496 1.00 0.00 C ATOM 0 H ALA A 102 89.640 -5.594 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 102 88.106 -7.382 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.510 -5.486 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.157 -4.957 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.505 -4.638 -4.324 1.00 0.00 H new ATOM 1581 N GLU A 103 87.146 -6.551 -6.198 1.00 0.00 N ATOM 1582 CA GLU A 103 86.318 -6.958 -7.329 1.00 0.00 C ATOM 1583 C GLU A 103 86.915 -8.155 -8.057 1.00 0.00 C ATOM 1584 O GLU A 103 86.235 -9.153 -8.287 1.00 0.00 O ATOM 1585 CB GLU A 103 86.190 -5.801 -8.320 1.00 0.00 C ATOM 1586 CG GLU A 103 85.041 -6.080 -9.293 1.00 0.00 C ATOM 1587 CD GLU A 103 85.518 -5.894 -10.730 1.00 0.00 C ATOM 1588 OE1 GLU A 103 86.556 -6.443 -11.065 1.00 0.00 O ATOM 1589 OE2 GLU A 103 84.838 -5.207 -11.475 1.00 0.00 O ATOM 0 H GLU A 103 87.689 -5.702 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 103 85.340 -7.237 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 103 86.008 -4.869 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.123 -5.676 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.673 -7.096 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.208 -5.408 -9.088 1.00 0.00 H new ATOM 1596 N ARG A 104 88.182 -8.042 -8.438 1.00 0.00 N ATOM 1597 CA ARG A 104 88.835 -9.133 -9.166 1.00 0.00 C ATOM 1598 C ARG A 104 88.835 -10.423 -8.349 1.00 0.00 C ATOM 1599 O ARG A 104 88.742 -11.516 -8.910 1.00 0.00 O ATOM 1600 CB ARG A 104 90.272 -8.760 -9.536 1.00 0.00 C ATOM 1601 CG ARG A 104 90.639 -9.413 -10.871 1.00 0.00 C ATOM 1602 CD ARG A 104 90.218 -8.502 -12.024 1.00 0.00 C ATOM 1603 NE ARG A 104 90.597 -9.098 -13.300 1.00 0.00 N ATOM 1604 CZ ARG A 104 90.107 -8.640 -14.447 1.00 0.00 C ATOM 1605 NH1 ARG A 104 89.280 -7.631 -14.445 1.00 0.00 N ATOM 1606 NH2 ARG A 104 90.453 -9.198 -15.574 1.00 0.00 N ATOM 0 H ARG A 104 88.770 -7.227 -8.262 1.00 0.00 H new ATOM 0 HA ARG A 104 88.264 -9.299 -10.080 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.371 -7.677 -9.609 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.958 -9.091 -8.756 1.00 0.00 H new ATOM 0 HG2 ARG A 104 91.713 -9.597 -10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 104 90.146 -10.381 -10.961 1.00 0.00 H new ATOM 0 HD2 ARG A 104 89.140 -8.341 -11.995 1.00 0.00 H new ATOM 0 HD3 ARG A 104 90.689 -7.525 -11.916 1.00 0.00 H new ATOM 0 HE ARG A 104 91.250 -9.881 -13.312 1.00 0.00 H new ATOM 0 HH11 ARG A 104 89.010 -7.194 -13.563 1.00 0.00 H new ATOM 0 HH12 ARG A 104 88.903 -7.279 -15.325 1.00 0.00 H new ATOM 0 HH21 ARG A 104 91.100 -9.986 -15.575 1.00 0.00 H new ATOM 0 HH22 ARG A 104 90.076 -8.846 -16.454 1.00 0.00 H new ATOM 1620 N SER A 105 88.946 -10.302 -7.031 1.00 0.00 N ATOM 1621 CA SER A 105 88.961 -11.487 -6.176 1.00 0.00 C ATOM 1622 C SER A 105 87.545 -11.943 -5.831 1.00 0.00 C ATOM 1623 O SER A 105 87.219 -13.122 -5.977 1.00 0.00 O ATOM 1624 CB SER A 105 89.731 -11.204 -4.889 1.00 0.00 C ATOM 1625 OG SER A 105 90.182 -12.433 -4.334 1.00 0.00 O ATOM 0 H SER A 105 89.026 -9.413 -6.536 1.00 0.00 H new ATOM 0 HA SER A 105 89.456 -12.285 -6.730 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.579 -10.551 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 105 89.092 -10.682 -4.176 1.00 0.00 H new ATOM 0 HG SER A 105 90.679 -12.256 -3.508 1.00 0.00 H new ATOM 1631 N ILE A 106 86.708 -11.019 -5.364 1.00 0.00 N ATOM 1632 CA ILE A 106 85.336 -11.382 -4.998 1.00 0.00 C ATOM 1633 C ILE A 106 84.602 -11.989 -6.189 1.00 0.00 C ATOM 1634 O ILE A 106 84.004 -13.060 -6.078 1.00 0.00 O ATOM 1635 CB ILE A 106 84.567 -10.158 -4.493 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.208 -9.653 -3.196 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.112 -10.549 -4.220 1.00 0.00 C ATOM 1638 CD1 ILE A 106 84.561 -10.352 -1.997 1.00 0.00 C ATOM 0 H ILE A 106 86.945 -10.036 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 106 85.390 -12.122 -4.199 1.00 0.00 H new ATOM 0 HB ILE A 106 84.599 -9.371 -5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.280 -9.848 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.082 -8.574 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 106 82.563 -9.679 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 106 82.654 -10.912 -5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.082 -11.335 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.018 -9.992 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 106 83.493 -10.134 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 106 84.711 -11.429 -2.079 1.00 0.00 H new ATOM 1650 N GLU A 107 84.647 -11.302 -7.323 1.00 0.00 N ATOM 1651 CA GLU A 107 83.977 -11.788 -8.524 1.00 0.00 C ATOM 1652 C GLU A 107 84.656 -13.052 -9.042 1.00 0.00 C ATOM 1653 O GLU A 107 84.267 -13.596 -10.077 1.00 0.00 O ATOM 1654 CB GLU A 107 84.003 -10.708 -9.608 1.00 0.00 C ATOM 1655 CG GLU A 107 83.228 -11.196 -10.832 1.00 0.00 C ATOM 1656 CD GLU A 107 82.441 -10.041 -11.443 1.00 0.00 C ATOM 1657 OE1 GLU A 107 81.422 -9.680 -10.877 1.00 0.00 O ATOM 1658 OE2 GLU A 107 82.869 -9.537 -12.468 1.00 0.00 O ATOM 0 H GLU A 107 85.136 -10.414 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 107 82.943 -12.024 -8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 107 83.562 -9.786 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.032 -10.479 -9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 107 83.917 -11.608 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 107 82.549 -11.999 -10.547 1.00 0.00 H new ATOM 1665 N ARG A 108 85.668 -13.516 -8.317 1.00 0.00 N ATOM 1666 CA ARG A 108 86.392 -14.718 -8.713 1.00 0.00 C ATOM 1667 C ARG A 108 86.845 -14.620 -10.166 1.00 0.00 C ATOM 1668 O ARG A 108 86.260 -15.243 -11.051 1.00 0.00 O ATOM 1669 CB ARG A 108 85.502 -15.951 -8.536 1.00 0.00 C ATOM 1670 CG ARG A 108 86.286 -17.207 -8.920 1.00 0.00 C ATOM 1671 CD ARG A 108 86.313 -18.175 -7.736 1.00 0.00 C ATOM 1672 NE ARG A 108 87.134 -17.632 -6.660 1.00 0.00 N ATOM 1673 CZ ARG A 108 86.950 -18.006 -5.398 1.00 0.00 C ATOM 1674 NH1 ARG A 108 86.022 -18.874 -5.104 1.00 0.00 N ATOM 1675 NH2 ARG A 108 87.698 -17.504 -4.454 1.00 0.00 N ATOM 0 H ARG A 108 86.004 -13.081 -7.458 1.00 0.00 H new ATOM 0 HA ARG A 108 87.272 -14.812 -8.076 1.00 0.00 H new ATOM 0 HB2 ARG A 108 85.164 -16.023 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 108 84.611 -15.862 -9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 108 85.825 -17.686 -9.784 1.00 0.00 H new ATOM 0 HG3 ARG A 108 87.303 -16.940 -9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 108 85.299 -18.350 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.709 -19.139 -8.054 1.00 0.00 H new ATOM 0 HE ARG A 108 87.863 -16.953 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 108 85.438 -19.266 -5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 108 85.881 -19.161 -4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 108 88.423 -16.825 -4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 108 87.557 -17.791 -3.485 1.00 0.00 H new ATOM 1689 N GLY A 109 87.889 -13.834 -10.402 1.00 0.00 N ATOM 1690 CA GLY A 109 88.413 -13.661 -11.752 1.00 0.00 C ATOM 1691 C GLY A 109 89.894 -14.020 -11.812 1.00 0.00 C ATOM 1692 O GLY A 109 90.472 -14.129 -12.893 1.00 0.00 O ATOM 0 H GLY A 109 88.386 -13.310 -9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 109 87.854 -14.289 -12.446 1.00 0.00 H new ATOM 0 HA3 GLY A 109 88.272 -12.628 -12.071 1.00 0.00 H new ATOM 1696 N VAL A 110 90.502 -14.202 -10.644 1.00 0.00 N ATOM 1697 CA VAL A 110 91.918 -14.548 -10.578 1.00 0.00 C ATOM 1698 C VAL A 110 92.209 -15.777 -11.434 1.00 0.00 C ATOM 1699 O VAL A 110 92.240 -16.864 -10.882 1.00 0.00 O ATOM 1700 CB VAL A 110 92.319 -14.828 -9.128 1.00 0.00 C ATOM 1701 CG1 VAL A 110 92.083 -13.576 -8.281 1.00 0.00 C ATOM 1702 CG2 VAL A 110 91.475 -15.980 -8.581 1.00 0.00 C ATOM 1703 OXT VAL A 110 92.396 -15.611 -12.628 1.00 0.00 O ATOM 0 H VAL A 110 90.042 -14.117 -9.738 1.00 0.00 H new ATOM 0 HA VAL A 110 92.497 -13.707 -10.960 1.00 0.00 H new ATOM 0 HB VAL A 110 93.374 -15.098 -9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 110 92.369 -13.776 -7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 110 92.684 -12.754 -8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.028 -13.304 -8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 110 91.759 -16.181 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.420 -15.709 -8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.643 -16.872 -9.184 1.00 0.00 H new TER 1713 VAL A 110