USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=34 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 3 SER OG : rot -150:sc= 0.922! USER MOD Set 1.2: A 5 THR OG1 : rot -60:sc= -2.54! USER MOD Set 1.3: A 51 SER OG : rot 39:sc= -3.44! USER MOD Single : A 1 CYS N :NH3+ -166:sc= -0.102 (180deg=-0.275) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 10 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.9) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 15 THR OG1 : rot 170:sc= -0.34 USER MOD Single : A 17 THR OG1 : rot 64:sc= 1.27 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0.0127 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.74) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 39 GLN : amide:sc= -0.779 K(o=-0.78,f=-4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.175 F(o=-1.1,f=-0.18) USER MOD Single : A 47 ASN : amide:sc= -1.93 X(o=-1.9,f=-1.7!) USER MOD Single : A 49 TYR OH : rot -76:sc= 0.926 USER MOD Single : A 53 TYR OH : rot -140:sc= -5.75! USER MOD Single : A 56 LYS NZ :NH3+ 145:sc= -0.103 (180deg=-0.959) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc=-0.00907 (180deg=-0.493) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 91:sc= 0.764 USER MOD Single : A 67 THR OG1 : rot -68:sc= 0.242 USER MOD Single : A 68 MET CE :methyl 133:sc= -0.403 (180deg=-2.44) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 70 THR OG1 : rot 21:sc= -1.65! USER MOD Single : A 73 ASN :FLIP amide:sc= 0.648 F(o=-1.1,f=0.65) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0538 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Single : A 100 THR OG1 : rot 140:sc= -0.13 USER MOD Single : A 101 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.16) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 86.702 5.389 20.642 1.00 0.00 N ATOM 2 CA CYS A 1 86.384 6.015 19.328 1.00 0.00 C ATOM 3 C CYS A 1 85.368 5.153 18.587 1.00 0.00 C ATOM 4 O CYS A 1 84.688 5.621 17.675 1.00 0.00 O ATOM 5 CB CYS A 1 87.666 6.139 18.502 1.00 0.00 C ATOM 6 SG CYS A 1 88.284 7.838 18.603 1.00 0.00 S ATOM 0 H1 CYS A 1 87.200 6.077 21.243 1.00 0.00 H new ATOM 0 H2 CYS A 1 85.820 5.095 21.109 1.00 0.00 H new ATOM 0 H3 CYS A 1 87.308 4.557 20.493 1.00 0.00 H new ATOM 0 HA CYS A 1 85.962 7.007 19.486 1.00 0.00 H new ATOM 0 HB2 CYS A 1 88.419 5.444 18.873 1.00 0.00 H new ATOM 0 HB3 CYS A 1 87.470 5.873 17.463 1.00 0.00 H new ATOM 0 HG CYS A 1 89.375 7.945 17.904 1.00 0.00 H new ATOM 14 N ASP A 2 85.267 3.888 18.988 1.00 0.00 N ATOM 15 CA ASP A 2 84.329 2.970 18.354 1.00 0.00 C ATOM 16 C ASP A 2 82.980 3.647 18.138 1.00 0.00 C ATOM 17 O ASP A 2 82.563 4.490 18.932 1.00 0.00 O ATOM 18 CB ASP A 2 84.145 1.728 19.229 1.00 0.00 C ATOM 19 CG ASP A 2 84.018 2.136 20.694 1.00 0.00 C ATOM 20 OD1 ASP A 2 83.131 2.918 20.996 1.00 0.00 O ATOM 21 OD2 ASP A 2 84.810 1.660 21.491 1.00 0.00 O ATOM 0 H ASP A 2 85.819 3.479 19.742 1.00 0.00 H new ATOM 0 HA ASP A 2 84.734 2.676 17.385 1.00 0.00 H new ATOM 0 HB2 ASP A 2 83.255 1.182 18.917 1.00 0.00 H new ATOM 0 HB3 ASP A 2 84.993 1.055 19.103 1.00 0.00 H new ATOM 26 N SER A 3 82.300 3.271 17.059 1.00 0.00 N ATOM 27 CA SER A 3 80.997 3.849 16.748 1.00 0.00 C ATOM 28 C SER A 3 79.878 2.911 17.186 1.00 0.00 C ATOM 29 O SER A 3 79.468 2.916 18.347 1.00 0.00 O ATOM 30 CB SER A 3 80.885 4.111 15.246 1.00 0.00 C ATOM 31 OG SER A 3 81.083 2.890 14.544 1.00 0.00 O ATOM 0 H SER A 3 82.627 2.574 16.390 1.00 0.00 H new ATOM 0 HA SER A 3 80.901 4.791 17.288 1.00 0.00 H new ATOM 0 HB2 SER A 3 79.906 4.526 15.009 1.00 0.00 H new ATOM 0 HB3 SER A 3 81.627 4.847 14.936 1.00 0.00 H new ATOM 0 HG SER A 3 81.480 3.077 13.668 1.00 0.00 H new ATOM 37 N GLY A 4 79.385 2.106 16.249 1.00 0.00 N ATOM 38 CA GLY A 4 78.309 1.165 16.553 1.00 0.00 C ATOM 39 C GLY A 4 77.270 1.154 15.439 1.00 0.00 C ATOM 40 O GLY A 4 76.945 2.200 14.876 1.00 0.00 O ATOM 0 H GLY A 4 79.709 2.085 15.282 1.00 0.00 H new ATOM 0 HA2 GLY A 4 78.721 0.164 16.682 1.00 0.00 H new ATOM 0 HA3 GLY A 4 77.835 1.439 17.496 1.00 0.00 H new ATOM 44 N THR A 5 76.756 -0.031 15.111 1.00 0.00 N ATOM 45 CA THR A 5 75.762 -0.146 14.044 1.00 0.00 C ATOM 46 C THR A 5 75.175 -1.556 13.983 1.00 0.00 C ATOM 47 O THR A 5 74.911 -2.182 15.010 1.00 0.00 O ATOM 48 CB THR A 5 76.425 0.183 12.704 1.00 0.00 C ATOM 49 OG1 THR A 5 77.487 1.099 12.925 1.00 0.00 O ATOM 50 CG2 THR A 5 75.406 0.816 11.749 1.00 0.00 C ATOM 0 H THR A 5 77.006 -0.912 15.560 1.00 0.00 H new ATOM 0 HA THR A 5 74.952 0.553 14.251 1.00 0.00 H new ATOM 0 HB THR A 5 76.806 -0.736 12.259 1.00 0.00 H new ATOM 0 HG1 THR A 5 77.133 1.920 13.327 1.00 0.00 H new ATOM 0 HG21 THR A 5 75.890 1.045 10.800 1.00 0.00 H new ATOM 0 HG22 THR A 5 74.585 0.119 11.579 1.00 0.00 H new ATOM 0 HG23 THR A 5 75.017 1.734 12.189 1.00 0.00 H new ATOM 58 N GLY A 6 74.978 -2.041 12.761 1.00 0.00 N ATOM 59 CA GLY A 6 74.425 -3.370 12.531 1.00 0.00 C ATOM 60 C GLY A 6 74.381 -3.657 11.034 1.00 0.00 C ATOM 61 O GLY A 6 73.313 -3.895 10.469 1.00 0.00 O ATOM 0 H GLY A 6 75.196 -1.527 11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 6 75.033 -4.120 13.037 1.00 0.00 H new ATOM 0 HA3 GLY A 6 73.422 -3.435 12.953 1.00 0.00 H new ATOM 65 N LEU A 7 75.554 -3.607 10.403 1.00 0.00 N ATOM 66 CA LEU A 7 75.675 -3.838 8.963 1.00 0.00 C ATOM 67 C LEU A 7 74.555 -4.739 8.445 1.00 0.00 C ATOM 68 O LEU A 7 73.759 -4.325 7.603 1.00 0.00 O ATOM 69 CB LEU A 7 77.034 -4.473 8.651 1.00 0.00 C ATOM 70 CG LEU A 7 77.799 -3.601 7.646 1.00 0.00 C ATOM 71 CD1 LEU A 7 79.125 -4.278 7.294 1.00 0.00 C ATOM 72 CD2 LEU A 7 76.963 -3.434 6.374 1.00 0.00 C ATOM 0 H LEU A 7 76.439 -3.407 10.869 1.00 0.00 H new ATOM 0 HA LEU A 7 75.594 -2.874 8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 7 77.614 -4.581 9.568 1.00 0.00 H new ATOM 0 HB3 LEU A 7 76.893 -5.474 8.244 1.00 0.00 H new ATOM 0 HG LEU A 7 77.992 -2.623 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 7 79.670 -3.661 6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 7 79.722 -4.401 8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 7 78.929 -5.255 6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 7 77.506 -2.815 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 7 76.771 -4.412 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 7 76.015 -2.956 6.622 1.00 0.00 H new ATOM 84 N THR A 8 74.497 -5.969 8.948 1.00 0.00 N ATOM 85 CA THR A 8 73.462 -6.903 8.514 1.00 0.00 C ATOM 86 C THR A 8 73.420 -8.133 9.417 1.00 0.00 C ATOM 87 O THR A 8 72.358 -8.521 9.902 1.00 0.00 O ATOM 88 CB THR A 8 73.725 -7.338 7.070 1.00 0.00 C ATOM 89 OG1 THR A 8 74.843 -6.626 6.560 1.00 0.00 O ATOM 90 CG2 THR A 8 72.494 -7.042 6.211 1.00 0.00 C ATOM 0 H THR A 8 75.143 -6.338 9.645 1.00 0.00 H new ATOM 0 HA THR A 8 72.500 -6.395 8.575 1.00 0.00 H new ATOM 0 HB THR A 8 73.932 -8.408 7.045 1.00 0.00 H new ATOM 0 HG1 THR A 8 75.014 -6.904 5.636 1.00 0.00 H new ATOM 0 HG21 THR A 8 72.684 -7.353 5.184 1.00 0.00 H new ATOM 0 HG22 THR A 8 71.637 -7.589 6.603 1.00 0.00 H new ATOM 0 HG23 THR A 8 72.283 -5.973 6.234 1.00 0.00 H new ATOM 98 N GLY A 9 74.580 -8.745 9.635 1.00 0.00 N ATOM 99 CA GLY A 9 74.657 -9.933 10.478 1.00 0.00 C ATOM 100 C GLY A 9 74.977 -11.171 9.645 1.00 0.00 C ATOM 101 O GLY A 9 74.883 -12.299 10.128 1.00 0.00 O ATOM 0 H GLY A 9 75.472 -8.442 9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 9 75.424 -9.794 11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.711 -10.075 11.000 1.00 0.00 H new ATOM 105 N ASN A 10 75.362 -10.948 8.392 1.00 0.00 N ATOM 106 CA ASN A 10 75.700 -12.047 7.497 1.00 0.00 C ATOM 107 C ASN A 10 77.217 -12.183 7.370 1.00 0.00 C ATOM 108 O ASN A 10 77.956 -11.881 8.306 1.00 0.00 O ATOM 109 CB ASN A 10 75.085 -11.802 6.118 1.00 0.00 C ATOM 110 CG ASN A 10 74.567 -13.113 5.537 1.00 0.00 C ATOM 111 OD1 ASN A 10 75.193 -14.159 5.706 1.00 0.00 O ATOM 112 ND2 ASN A 10 73.451 -13.119 4.860 1.00 0.00 N ATOM 0 H ASN A 10 75.447 -10.021 7.976 1.00 0.00 H new ATOM 0 HA ASN A 10 75.298 -12.972 7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 10 74.270 -11.083 6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 10 75.830 -11.368 5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 10 73.096 -13.992 4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 10 72.934 -12.251 4.721 1.00 0.00 H new ATOM 119 N TYR A 11 77.674 -12.641 6.208 1.00 0.00 N ATOM 120 CA TYR A 11 79.105 -12.813 5.975 1.00 0.00 C ATOM 121 C TYR A 11 79.523 -12.151 4.664 1.00 0.00 C ATOM 122 O TYR A 11 79.635 -10.927 4.586 1.00 0.00 O ATOM 123 CB TYR A 11 79.450 -14.302 5.933 1.00 0.00 C ATOM 124 CG TYR A 11 79.416 -14.864 7.334 1.00 0.00 C ATOM 125 CD1 TYR A 11 80.418 -14.523 8.250 1.00 0.00 C ATOM 126 CD2 TYR A 11 78.380 -15.725 7.719 1.00 0.00 C ATOM 127 CE1 TYR A 11 80.386 -15.043 9.550 1.00 0.00 C ATOM 128 CE2 TYR A 11 78.348 -16.245 9.018 1.00 0.00 C ATOM 129 CZ TYR A 11 79.351 -15.903 9.933 1.00 0.00 C ATOM 130 OH TYR A 11 79.319 -16.415 11.214 1.00 0.00 O ATOM 0 H TYR A 11 77.080 -12.898 5.419 1.00 0.00 H new ATOM 0 HA TYR A 11 79.646 -12.337 6.793 1.00 0.00 H new ATOM 0 HB2 TYR A 11 78.740 -14.833 5.299 1.00 0.00 H new ATOM 0 HB3 TYR A 11 80.438 -14.446 5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 11 81.216 -13.858 7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 11 77.606 -15.988 7.013 1.00 0.00 H new ATOM 0 HE1 TYR A 11 81.160 -14.780 10.256 1.00 0.00 H new ATOM 0 HE2 TYR A 11 77.550 -16.910 9.314 1.00 0.00 H new ATOM 0 HH TYR A 11 78.534 -16.993 11.316 1.00 0.00 H new ATOM 140 N SER A 12 79.749 -12.965 3.638 1.00 0.00 N ATOM 141 CA SER A 12 80.153 -12.443 2.336 1.00 0.00 C ATOM 142 C SER A 12 79.179 -11.368 1.868 1.00 0.00 C ATOM 143 O SER A 12 79.586 -10.331 1.345 1.00 0.00 O ATOM 144 CB SER A 12 80.195 -13.577 1.310 1.00 0.00 C ATOM 145 OG SER A 12 81.538 -14.013 1.147 1.00 0.00 O ATOM 0 H SER A 12 79.660 -13.980 3.681 1.00 0.00 H new ATOM 0 HA SER A 12 81.146 -12.003 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 12 79.569 -14.406 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.793 -13.235 0.356 1.00 0.00 H new ATOM 0 HG SER A 12 81.568 -14.741 0.491 1.00 0.00 H new ATOM 151 N GLN A 13 77.889 -11.623 2.062 1.00 0.00 N ATOM 152 CA GLN A 13 76.862 -10.671 1.659 1.00 0.00 C ATOM 153 C GLN A 13 77.148 -9.293 2.246 1.00 0.00 C ATOM 154 O GLN A 13 76.947 -8.273 1.586 1.00 0.00 O ATOM 155 CB GLN A 13 75.489 -11.154 2.131 1.00 0.00 C ATOM 156 CG GLN A 13 75.147 -12.484 1.453 1.00 0.00 C ATOM 157 CD GLN A 13 74.382 -12.241 0.148 1.00 0.00 C ATOM 158 OE1 GLN A 13 74.914 -11.518 -0.809 1.00 0.00 O flip ATOM 159 NE2 GLN A 13 73.263 -12.730 -0.007 1.00 0.00 N flip ATOM 0 H GLN A 13 77.532 -12.476 2.493 1.00 0.00 H new ATOM 0 HA GLN A 13 76.868 -10.598 0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 13 75.489 -11.277 3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 13 74.730 -10.409 1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 13 76.062 -13.039 1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 13 74.546 -13.097 2.125 1.00 0.00 H new ATOM 0 HE21 GLN A 13 72.845 -13.293 0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 13 72.754 -12.572 -0.877 1.00 0.00 H new ATOM 168 N ASP A 14 77.614 -9.270 3.489 1.00 0.00 N ATOM 169 CA ASP A 14 77.922 -8.013 4.160 1.00 0.00 C ATOM 170 C ASP A 14 79.201 -7.393 3.603 1.00 0.00 C ATOM 171 O ASP A 14 79.320 -6.171 3.513 1.00 0.00 O ATOM 172 CB ASP A 14 78.079 -8.251 5.662 1.00 0.00 C ATOM 173 CG ASP A 14 79.533 -8.050 6.075 1.00 0.00 C ATOM 174 OD1 ASP A 14 80.326 -8.946 5.834 1.00 0.00 O ATOM 175 OD2 ASP A 14 79.832 -7.004 6.627 1.00 0.00 O ATOM 0 H ASP A 14 77.786 -10.104 4.051 1.00 0.00 H new ATOM 0 HA ASP A 14 77.098 -7.322 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 14 77.437 -7.566 6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 14 77.758 -9.262 5.914 1.00 0.00 H new ATOM 180 N THR A 15 80.159 -8.239 3.238 1.00 0.00 N ATOM 181 CA THR A 15 81.426 -7.753 2.701 1.00 0.00 C ATOM 182 C THR A 15 81.220 -7.031 1.371 1.00 0.00 C ATOM 183 O THR A 15 81.745 -5.939 1.164 1.00 0.00 O ATOM 184 CB THR A 15 82.397 -8.921 2.504 1.00 0.00 C ATOM 185 OG1 THR A 15 82.154 -9.909 3.496 1.00 0.00 O ATOM 186 CG2 THR A 15 83.837 -8.417 2.626 1.00 0.00 C ATOM 0 H THR A 15 80.085 -9.254 3.303 1.00 0.00 H new ATOM 0 HA THR A 15 81.845 -7.046 3.417 1.00 0.00 H new ATOM 0 HB THR A 15 82.249 -9.354 1.515 1.00 0.00 H new ATOM 0 HG1 THR A 15 82.657 -10.721 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.527 -9.249 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.023 -7.659 1.865 1.00 0.00 H new ATOM 0 HG23 THR A 15 83.988 -7.983 3.614 1.00 0.00 H new ATOM 194 N LEU A 16 80.456 -7.644 0.471 1.00 0.00 N ATOM 195 CA LEU A 16 80.202 -7.035 -0.832 1.00 0.00 C ATOM 196 C LEU A 16 79.217 -5.878 -0.709 1.00 0.00 C ATOM 197 O LEU A 16 79.265 -4.927 -1.491 1.00 0.00 O ATOM 198 CB LEU A 16 79.659 -8.078 -1.818 1.00 0.00 C ATOM 199 CG LEU A 16 78.451 -8.801 -1.215 1.00 0.00 C ATOM 200 CD1 LEU A 16 77.159 -8.172 -1.742 1.00 0.00 C ATOM 201 CD2 LEU A 16 78.493 -10.279 -1.617 1.00 0.00 C ATOM 0 H LEU A 16 80.008 -8.549 0.616 1.00 0.00 H new ATOM 0 HA LEU A 16 81.148 -6.648 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 16 79.372 -7.592 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 16 80.439 -8.799 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 16 78.481 -8.712 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 16 76.301 -8.688 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.127 -7.119 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 16 77.128 -8.260 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 16 77.634 -10.797 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 16 78.462 -10.362 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 16 79.412 -10.731 -1.244 1.00 0.00 H new ATOM 213 N THR A 17 78.328 -5.957 0.274 1.00 0.00 N ATOM 214 CA THR A 17 77.342 -4.902 0.483 1.00 0.00 C ATOM 215 C THR A 17 78.036 -3.566 0.726 1.00 0.00 C ATOM 216 O THR A 17 77.812 -2.598 0.001 1.00 0.00 O ATOM 217 CB THR A 17 76.457 -5.242 1.682 1.00 0.00 C ATOM 218 OG1 THR A 17 75.481 -6.200 1.294 1.00 0.00 O ATOM 219 CG2 THR A 17 75.763 -3.974 2.180 1.00 0.00 C ATOM 0 H THR A 17 78.269 -6.733 0.934 1.00 0.00 H new ATOM 0 HA THR A 17 76.725 -4.824 -0.412 1.00 0.00 H new ATOM 0 HB THR A 17 77.071 -5.655 2.482 1.00 0.00 H new ATOM 0 HG1 THR A 17 75.926 -7.033 1.032 1.00 0.00 H new ATOM 0 HG21 THR A 17 75.132 -4.217 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.513 -3.242 2.479 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.148 -3.558 1.382 1.00 0.00 H new ATOM 227 N VAL A 18 78.879 -3.521 1.753 1.00 0.00 N ATOM 228 CA VAL A 18 79.601 -2.296 2.080 1.00 0.00 C ATOM 229 C VAL A 18 80.587 -1.944 0.969 1.00 0.00 C ATOM 230 O VAL A 18 80.616 -0.811 0.487 1.00 0.00 O ATOM 231 CB VAL A 18 80.353 -2.467 3.401 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.265 -3.694 3.319 1.00 0.00 C ATOM 233 CG2 VAL A 18 81.201 -1.222 3.668 1.00 0.00 C ATOM 0 H VAL A 18 79.078 -4.310 2.368 1.00 0.00 H new ATOM 0 HA VAL A 18 78.879 -1.486 2.179 1.00 0.00 H new ATOM 0 HB VAL A 18 79.636 -2.602 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.800 -3.814 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 18 80.663 -4.583 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.982 -3.561 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 18 81.738 -1.342 4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 18 81.917 -1.088 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 18 80.554 -0.347 3.729 1.00 0.00 H new ATOM 243 N ILE A 19 81.392 -2.923 0.568 1.00 0.00 N ATOM 244 CA ILE A 19 82.376 -2.710 -0.489 1.00 0.00 C ATOM 245 C ILE A 19 81.694 -2.270 -1.770 1.00 0.00 C ATOM 246 O ILE A 19 82.291 -1.569 -2.586 1.00 0.00 O ATOM 247 CB ILE A 19 83.188 -4.007 -0.715 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.175 -4.202 0.450 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.971 -3.945 -2.039 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.363 -5.053 -0.010 1.00 0.00 C ATOM 0 H ILE A 19 81.383 -3.866 0.956 1.00 0.00 H new ATOM 0 HA ILE A 19 83.060 -1.917 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 19 82.492 -4.845 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 19 84.526 -3.234 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 19 83.672 -4.686 1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.533 -4.869 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 19 83.274 -3.820 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 19 84.661 -3.101 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.057 -5.187 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.005 -6.027 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 19 85.873 -4.552 -0.833 1.00 0.00 H new ATOM 262 N ALA A 20 80.456 -2.686 -1.961 1.00 0.00 N ATOM 263 CA ALA A 20 79.752 -2.315 -3.173 1.00 0.00 C ATOM 264 C ALA A 20 79.590 -0.802 -3.260 1.00 0.00 C ATOM 265 O ALA A 20 79.643 -0.226 -4.347 1.00 0.00 O ATOM 266 CB ALA A 20 78.382 -2.992 -3.228 1.00 0.00 C ATOM 0 H ALA A 20 79.928 -3.267 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 20 80.344 -2.652 -4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 20 77.869 -2.701 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 20 78.510 -4.074 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 20 77.789 -2.684 -2.367 1.00 0.00 H new ATOM 272 N THR A 21 79.396 -0.164 -2.112 1.00 0.00 N ATOM 273 CA THR A 21 79.233 1.284 -2.078 1.00 0.00 C ATOM 274 C THR A 21 80.568 1.982 -2.320 1.00 0.00 C ATOM 275 O THR A 21 80.635 2.979 -3.039 1.00 0.00 O ATOM 276 CB THR A 21 78.666 1.714 -0.724 1.00 0.00 C ATOM 277 OG1 THR A 21 77.763 0.722 -0.255 1.00 0.00 O ATOM 278 CG2 THR A 21 77.931 3.047 -0.875 1.00 0.00 C ATOM 0 H THR A 21 79.348 -0.621 -1.201 1.00 0.00 H new ATOM 0 HA THR A 21 78.540 1.571 -2.869 1.00 0.00 H new ATOM 0 HB THR A 21 79.481 1.832 -0.009 1.00 0.00 H new ATOM 0 HG1 THR A 21 77.281 1.062 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.528 3.352 0.091 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.625 3.807 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.115 2.934 -1.589 1.00 0.00 H new ATOM 286 N LEU A 22 81.626 1.450 -1.718 1.00 0.00 N ATOM 287 CA LEU A 22 82.955 2.032 -1.877 1.00 0.00 C ATOM 288 C LEU A 22 83.430 1.892 -3.316 1.00 0.00 C ATOM 289 O LEU A 22 83.867 2.864 -3.935 1.00 0.00 O ATOM 290 CB LEU A 22 83.941 1.326 -0.951 1.00 0.00 C ATOM 291 CG LEU A 22 83.630 1.690 0.502 1.00 0.00 C ATOM 292 CD1 LEU A 22 83.620 0.421 1.354 1.00 0.00 C ATOM 293 CD2 LEU A 22 84.700 2.649 1.028 1.00 0.00 C ATOM 0 H LEU A 22 81.591 0.624 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 22 82.902 3.090 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 22 83.876 0.247 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 22 84.962 1.618 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 22 82.653 2.171 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.398 0.680 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 22 82.858 -0.263 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 22 84.597 -0.060 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 22 84.479 2.909 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.677 2.168 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 22 84.708 3.554 0.421 1.00 0.00 H new ATOM 305 N ARG A 23 83.334 0.678 -3.847 1.00 0.00 N ATOM 306 CA ARG A 23 83.748 0.424 -5.220 1.00 0.00 C ATOM 307 C ARG A 23 82.888 1.236 -6.174 1.00 0.00 C ATOM 308 O ARG A 23 83.334 1.629 -7.251 1.00 0.00 O ATOM 309 CB ARG A 23 83.608 -1.067 -5.553 1.00 0.00 C ATOM 310 CG ARG A 23 84.733 -1.868 -4.876 1.00 0.00 C ATOM 311 CD ARG A 23 84.873 -3.249 -5.538 1.00 0.00 C ATOM 312 NE ARG A 23 83.908 -4.192 -4.988 1.00 0.00 N ATOM 313 CZ ARG A 23 82.657 -4.237 -5.433 1.00 0.00 C ATOM 314 NH1 ARG A 23 82.274 -3.432 -6.386 1.00 0.00 N ATOM 315 NH2 ARG A 23 81.812 -5.092 -4.922 1.00 0.00 N ATOM 0 H ARG A 23 82.976 -0.139 -3.352 1.00 0.00 H new ATOM 0 HA ARG A 23 84.793 0.716 -5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.638 -1.433 -5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 23 83.647 -1.212 -6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 23 85.674 -1.323 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 23 84.517 -1.986 -3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 23 84.724 -3.157 -6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 23 85.884 -3.628 -5.387 1.00 0.00 H new ATOM 0 HE ARG A 23 84.199 -4.830 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 23 82.935 -2.768 -6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 23 81.314 -3.467 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 23 82.113 -5.725 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 23 80.852 -5.126 -5.264 1.00 0.00 H new ATOM 329 N GLU A 24 81.648 1.481 -5.771 1.00 0.00 N ATOM 330 CA GLU A 24 80.732 2.248 -6.602 1.00 0.00 C ATOM 331 C GLU A 24 81.048 3.734 -6.528 1.00 0.00 C ATOM 332 O GLU A 24 80.672 4.505 -7.405 1.00 0.00 O ATOM 333 CB GLU A 24 79.289 2.004 -6.156 1.00 0.00 C ATOM 334 CG GLU A 24 78.357 2.965 -6.893 1.00 0.00 C ATOM 335 CD GLU A 24 76.910 2.504 -6.747 1.00 0.00 C ATOM 336 OE1 GLU A 24 76.695 1.305 -6.678 1.00 0.00 O ATOM 337 OE2 GLU A 24 76.039 3.357 -6.707 1.00 0.00 O ATOM 0 H GLU A 24 81.257 1.164 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 24 80.852 1.919 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.003 0.973 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.201 2.149 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.469 3.972 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.628 3.010 -7.948 1.00 0.00 H new ATOM 344 N ALA A 25 81.735 4.120 -5.469 1.00 0.00 N ATOM 345 CA ALA A 25 82.096 5.521 -5.264 1.00 0.00 C ATOM 346 C ALA A 25 83.241 5.947 -6.181 1.00 0.00 C ATOM 347 O ALA A 25 83.180 7.004 -6.809 1.00 0.00 O ATOM 348 CB ALA A 25 82.502 5.744 -3.807 1.00 0.00 C ATOM 0 H ALA A 25 82.056 3.488 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 25 81.223 6.128 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 25 82.770 6.790 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.668 5.488 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.358 5.113 -3.567 1.00 0.00 H new ATOM 354 N ILE A 26 84.286 5.130 -6.247 1.00 0.00 N ATOM 355 CA ILE A 26 85.440 5.449 -7.084 1.00 0.00 C ATOM 356 C ILE A 26 85.030 5.570 -8.543 1.00 0.00 C ATOM 357 O ILE A 26 85.535 6.425 -9.271 1.00 0.00 O ATOM 358 CB ILE A 26 86.512 4.365 -6.951 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.875 4.947 -7.352 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.167 3.188 -7.866 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.732 3.863 -8.011 1.00 0.00 C ATOM 0 H ILE A 26 84.360 4.250 -5.737 1.00 0.00 H new ATOM 0 HA ILE A 26 85.845 6.403 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 26 86.554 4.018 -5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.736 5.781 -8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.385 5.341 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 26 86.931 2.417 -7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.199 2.777 -7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.125 3.531 -8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.697 4.284 -8.293 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.884 3.043 -7.309 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.225 3.490 -8.901 1.00 0.00 H new ATOM 373 N ASP A 27 84.125 4.701 -8.970 1.00 0.00 N ATOM 374 CA ASP A 27 83.674 4.721 -10.356 1.00 0.00 C ATOM 375 C ASP A 27 82.170 4.492 -10.458 1.00 0.00 C ATOM 376 O ASP A 27 81.723 3.569 -11.140 1.00 0.00 O ATOM 377 CB ASP A 27 84.409 3.641 -11.154 1.00 0.00 C ATOM 378 CG ASP A 27 84.142 3.820 -12.644 1.00 0.00 C ATOM 379 OD1 ASP A 27 83.800 4.923 -13.037 1.00 0.00 O ATOM 380 OD2 ASP A 27 84.283 2.851 -13.371 1.00 0.00 O ATOM 0 H ASP A 27 83.693 3.983 -8.388 1.00 0.00 H new ATOM 0 HA ASP A 27 83.897 5.706 -10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 27 85.480 3.699 -10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 27 84.079 2.653 -10.833 1.00 0.00 H new ATOM 385 N LEU A 28 81.388 5.340 -9.796 1.00 0.00 N ATOM 386 CA LEU A 28 79.936 5.202 -9.856 1.00 0.00 C ATOM 387 C LEU A 28 79.450 5.493 -11.273 1.00 0.00 C ATOM 388 O LEU A 28 80.152 6.128 -12.060 1.00 0.00 O ATOM 389 CB LEU A 28 79.233 6.159 -8.881 1.00 0.00 C ATOM 390 CG LEU A 28 80.206 7.200 -8.321 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.694 8.112 -9.445 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.468 8.029 -7.278 1.00 0.00 C ATOM 0 H LEU A 28 81.725 6.114 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 28 79.690 4.179 -9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 28 78.413 6.663 -9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 28 78.796 5.589 -8.061 1.00 0.00 H new ATOM 0 HG LEU A 28 81.067 6.704 -7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 28 81.386 8.850 -9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 28 81.202 7.516 -10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 28 79.842 8.622 -9.896 1.00 0.00 H new ATOM 0 HD21 LEU A 28 80.143 8.778 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.616 8.525 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 28 79.116 7.378 -6.478 1.00 0.00 H new ATOM 404 N PRO A 29 78.268 5.054 -11.609 1.00 0.00 N ATOM 405 CA PRO A 29 77.685 5.288 -12.960 1.00 0.00 C ATOM 406 C PRO A 29 77.601 6.778 -13.279 1.00 0.00 C ATOM 407 O PRO A 29 77.340 7.595 -12.396 1.00 0.00 O ATOM 408 CB PRO A 29 76.286 4.661 -12.888 1.00 0.00 C ATOM 409 CG PRO A 29 76.008 4.422 -11.439 1.00 0.00 C ATOM 410 CD PRO A 29 77.362 4.289 -10.746 1.00 0.00 C ATOM 0 HA PRO A 29 78.296 4.852 -13.751 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.539 5.325 -13.323 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.249 3.728 -13.450 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.436 5.247 -11.014 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.414 3.518 -11.303 1.00 0.00 H new ATOM 0 HD2 PRO A 29 77.336 4.693 -9.734 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.670 3.247 -10.665 1.00 0.00 H new ATOM 418 N GLN A 30 77.831 7.129 -14.539 1.00 0.00 N ATOM 419 CA GLN A 30 77.783 8.527 -14.950 1.00 0.00 C ATOM 420 C GLN A 30 76.460 9.168 -14.543 1.00 0.00 C ATOM 421 O GLN A 30 76.252 10.364 -14.746 1.00 0.00 O ATOM 422 CB GLN A 30 77.967 8.636 -16.464 1.00 0.00 C ATOM 423 CG GLN A 30 79.443 8.897 -16.775 1.00 0.00 C ATOM 424 CD GLN A 30 79.709 8.686 -18.262 1.00 0.00 C ATOM 425 OE1 GLN A 30 79.273 9.486 -19.090 1.00 0.00 O ATOM 426 NE2 GLN A 30 80.403 7.652 -18.652 1.00 0.00 N ATOM 0 H GLN A 30 78.051 6.472 -15.287 1.00 0.00 H new ATOM 0 HA GLN A 30 78.593 9.057 -14.449 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.638 7.717 -16.949 1.00 0.00 H new ATOM 0 HB3 GLN A 30 77.351 9.444 -16.860 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.708 9.915 -16.491 1.00 0.00 H new ATOM 0 HG3 GLN A 30 80.071 8.228 -16.186 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.763 6.991 -17.964 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.585 7.505 -19.645 1.00 0.00 H new ATOM 435 N ASP A 31 75.570 8.367 -13.966 1.00 0.00 N ATOM 436 CA ASP A 31 74.275 8.871 -13.531 1.00 0.00 C ATOM 437 C ASP A 31 74.365 9.419 -12.110 1.00 0.00 C ATOM 438 O ASP A 31 73.348 9.615 -11.446 1.00 0.00 O ATOM 439 CB ASP A 31 73.235 7.750 -13.580 1.00 0.00 C ATOM 440 CG ASP A 31 73.077 7.244 -15.010 1.00 0.00 C ATOM 441 OD1 ASP A 31 73.852 6.388 -15.403 1.00 0.00 O ATOM 442 OD2 ASP A 31 72.184 7.720 -15.691 1.00 0.00 O ATOM 0 H ASP A 31 75.721 7.374 -13.790 1.00 0.00 H new ATOM 0 HA ASP A 31 73.975 9.675 -14.202 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.540 6.932 -12.928 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.278 8.115 -13.207 1.00 0.00 H new ATOM 447 N ALA A 32 75.589 9.665 -11.649 1.00 0.00 N ATOM 448 CA ALA A 32 75.793 10.188 -10.303 1.00 0.00 C ATOM 449 C ALA A 32 77.153 10.866 -10.185 1.00 0.00 C ATOM 450 O ALA A 32 78.050 10.364 -9.508 1.00 0.00 O ATOM 451 CB ALA A 32 75.699 9.054 -9.280 1.00 0.00 C ATOM 0 H ALA A 32 76.445 9.512 -12.182 1.00 0.00 H new ATOM 0 HA ALA A 32 75.015 10.925 -10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 32 75.853 9.454 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 32 74.714 8.592 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 32 76.464 8.307 -9.493 1.00 0.00 H new ATOM 457 N PRO A 33 77.314 11.994 -10.821 1.00 0.00 N ATOM 458 CA PRO A 33 78.589 12.769 -10.784 1.00 0.00 C ATOM 459 C PRO A 33 78.916 13.257 -9.372 1.00 0.00 C ATOM 460 O PRO A 33 79.568 14.286 -9.197 1.00 0.00 O ATOM 461 CB PRO A 33 78.343 13.957 -11.725 1.00 0.00 C ATOM 462 CG PRO A 33 77.110 13.624 -12.502 1.00 0.00 C ATOM 463 CD PRO A 33 76.301 12.652 -11.648 1.00 0.00 C ATOM 0 HA PRO A 33 79.440 12.159 -11.088 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.210 14.880 -11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 33 79.193 14.110 -12.390 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.533 14.524 -12.716 1.00 0.00 H new ATOM 0 HG3 PRO A 33 77.367 13.175 -13.461 1.00 0.00 H new ATOM 0 HD2 PRO A 33 75.563 13.173 -11.039 1.00 0.00 H new ATOM 0 HD3 PRO A 33 75.758 11.935 -12.263 1.00 0.00 H new ATOM 471 N ASN A 34 78.462 12.508 -8.372 1.00 0.00 N ATOM 472 CA ASN A 34 78.711 12.865 -6.982 1.00 0.00 C ATOM 473 C ASN A 34 79.648 11.846 -6.338 1.00 0.00 C ATOM 474 O ASN A 34 79.350 11.282 -5.285 1.00 0.00 O ATOM 475 CB ASN A 34 77.386 12.916 -6.215 1.00 0.00 C ATOM 476 CG ASN A 34 76.237 13.171 -7.185 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.296 14.101 -7.989 1.00 0.00 O ATOM 478 ND2 ASN A 34 75.189 12.393 -7.158 1.00 0.00 N ATOM 0 H ASN A 34 77.921 11.652 -8.499 1.00 0.00 H new ATOM 0 HA ASN A 34 79.183 13.847 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 34 77.225 11.977 -5.686 1.00 0.00 H new ATOM 0 HB3 ASN A 34 77.421 13.704 -5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 34 74.417 12.555 -7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 34 75.143 11.623 -6.491 1.00 0.00 H new ATOM 485 N ARG A 35 80.783 11.616 -6.987 1.00 0.00 N ATOM 486 CA ARG A 35 81.769 10.664 -6.486 1.00 0.00 C ATOM 487 C ARG A 35 82.136 10.982 -5.040 1.00 0.00 C ATOM 488 O ARG A 35 82.326 10.077 -4.226 1.00 0.00 O ATOM 489 CB ARG A 35 83.031 10.703 -7.359 1.00 0.00 C ATOM 490 CG ARG A 35 82.987 11.913 -8.304 1.00 0.00 C ATOM 491 CD ARG A 35 82.038 11.636 -9.477 1.00 0.00 C ATOM 492 NE ARG A 35 82.782 11.602 -10.731 1.00 0.00 N ATOM 493 CZ ARG A 35 82.398 10.835 -11.747 1.00 0.00 C ATOM 494 NH1 ARG A 35 81.323 10.100 -11.646 1.00 0.00 N ATOM 495 NH2 ARG A 35 83.092 10.825 -12.852 1.00 0.00 N ATOM 0 H ARG A 35 81.044 12.074 -7.860 1.00 0.00 H new ATOM 0 HA ARG A 35 81.333 9.666 -6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.917 10.758 -6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 35 83.110 9.783 -7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 35 82.655 12.797 -7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 35 83.988 12.127 -8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.526 10.686 -9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 35 81.270 12.408 -9.523 1.00 0.00 H new ATOM 0 HE ARG A 35 83.616 12.180 -10.831 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.775 10.113 -10.786 1.00 0.00 H new ATOM 0 HH12 ARG A 35 81.031 9.513 -12.427 1.00 0.00 H new ATOM 0 HH21 ARG A 35 83.927 11.405 -12.935 1.00 0.00 H new ATOM 0 HH22 ARG A 35 82.799 10.237 -13.633 1.00 0.00 H new ATOM 509 N GLN A 36 82.236 12.268 -4.725 1.00 0.00 N ATOM 510 CA GLN A 36 82.584 12.687 -3.372 1.00 0.00 C ATOM 511 C GLN A 36 81.389 12.551 -2.431 1.00 0.00 C ATOM 512 O GLN A 36 81.537 12.124 -1.286 1.00 0.00 O ATOM 513 CB GLN A 36 83.065 14.139 -3.380 1.00 0.00 C ATOM 514 CG GLN A 36 82.961 14.718 -1.968 1.00 0.00 C ATOM 515 CD GLN A 36 83.923 15.891 -1.813 1.00 0.00 C ATOM 516 OE1 GLN A 36 85.138 15.715 -1.904 1.00 0.00 O ATOM 517 NE2 GLN A 36 83.449 17.085 -1.584 1.00 0.00 N ATOM 0 H GLN A 36 82.083 13.033 -5.382 1.00 0.00 H new ATOM 0 HA GLN A 36 83.384 12.039 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 36 84.096 14.190 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 36 82.464 14.729 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 36 81.940 15.047 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 36 83.192 13.948 -1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 36 82.442 17.228 -1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 36 84.086 17.875 -1.480 1.00 0.00 H new ATOM 526 N GLU A 37 80.209 12.927 -2.916 1.00 0.00 N ATOM 527 CA GLU A 37 79.001 12.851 -2.099 1.00 0.00 C ATOM 528 C GLU A 37 78.558 11.406 -1.900 1.00 0.00 C ATOM 529 O GLU A 37 78.384 10.959 -0.767 1.00 0.00 O ATOM 530 CB GLU A 37 77.873 13.650 -2.755 1.00 0.00 C ATOM 531 CG GLU A 37 77.103 14.423 -1.683 1.00 0.00 C ATOM 532 CD GLU A 37 77.963 15.558 -1.136 1.00 0.00 C ATOM 533 OE1 GLU A 37 79.014 15.805 -1.705 1.00 0.00 O ATOM 534 OE2 GLU A 37 77.560 16.162 -0.156 1.00 0.00 O ATOM 0 H GLU A 37 80.063 13.284 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 37 79.230 13.277 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 37 78.283 14.341 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 37 77.200 12.978 -3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.182 14.825 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.817 13.751 -0.874 1.00 0.00 H new ATOM 541 N VAL A 38 78.382 10.675 -2.995 1.00 0.00 N ATOM 542 CA VAL A 38 77.967 9.284 -2.888 1.00 0.00 C ATOM 543 C VAL A 38 78.910 8.552 -1.949 1.00 0.00 C ATOM 544 O VAL A 38 78.490 7.720 -1.147 1.00 0.00 O ATOM 545 CB VAL A 38 77.978 8.626 -4.263 1.00 0.00 C ATOM 546 CG1 VAL A 38 78.200 7.120 -4.111 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.636 8.874 -4.956 1.00 0.00 C ATOM 0 H VAL A 38 78.517 11.014 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 38 76.953 9.237 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 38 78.784 9.052 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.207 6.652 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 38 79.155 6.941 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.396 6.692 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.642 8.404 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 38 75.832 8.448 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.477 9.947 -5.067 1.00 0.00 H new ATOM 557 N GLN A 39 80.190 8.889 -2.043 1.00 0.00 N ATOM 558 CA GLN A 39 81.190 8.278 -1.179 1.00 0.00 C ATOM 559 C GLN A 39 80.795 8.486 0.279 1.00 0.00 C ATOM 560 O GLN A 39 81.056 7.636 1.131 1.00 0.00 O ATOM 561 CB GLN A 39 82.563 8.904 -1.437 1.00 0.00 C ATOM 562 CG GLN A 39 83.590 8.297 -0.480 1.00 0.00 C ATOM 563 CD GLN A 39 85.003 8.638 -0.946 1.00 0.00 C ATOM 564 OE1 GLN A 39 85.695 9.427 -0.303 1.00 0.00 O ATOM 565 NE2 GLN A 39 85.473 8.087 -2.030 1.00 0.00 N ATOM 0 H GLN A 39 80.557 9.575 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 39 81.244 7.211 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.865 8.730 -2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.514 9.984 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.429 8.678 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 39 83.464 7.215 -0.436 1.00 0.00 H new ATOM 0 HE21 GLN A 39 84.897 7.433 -2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 39 86.417 8.309 -2.347 1.00 0.00 H new ATOM 574 N ASP A 40 80.154 9.622 0.555 1.00 0.00 N ATOM 575 CA ASP A 40 79.714 9.929 1.911 1.00 0.00 C ATOM 576 C ASP A 40 78.800 8.827 2.426 1.00 0.00 C ATOM 577 O ASP A 40 78.945 8.364 3.557 1.00 0.00 O ATOM 578 CB ASP A 40 78.970 11.265 1.932 1.00 0.00 C ATOM 579 CG ASP A 40 78.881 11.789 3.360 1.00 0.00 C ATOM 580 OD1 ASP A 40 79.790 12.494 3.769 1.00 0.00 O ATOM 581 OD2 ASP A 40 77.906 11.480 4.025 1.00 0.00 O ATOM 0 H ASP A 40 79.931 10.337 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 40 80.590 9.997 2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 40 79.487 11.989 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 40 77.969 11.140 1.519 1.00 0.00 H new ATOM 586 N THR A 41 77.867 8.398 1.583 1.00 0.00 N ATOM 587 CA THR A 41 76.951 7.334 1.968 1.00 0.00 C ATOM 588 C THR A 41 77.753 6.106 2.372 1.00 0.00 C ATOM 589 O THR A 41 77.382 5.380 3.294 1.00 0.00 O ATOM 590 CB THR A 41 76.013 6.995 0.806 1.00 0.00 C ATOM 591 OG1 THR A 41 74.958 7.947 0.761 1.00 0.00 O ATOM 592 CG2 THR A 41 75.428 5.596 1.009 1.00 0.00 C ATOM 0 H THR A 41 77.727 8.765 0.642 1.00 0.00 H new ATOM 0 HA THR A 41 76.346 7.665 2.812 1.00 0.00 H new ATOM 0 HB THR A 41 76.570 7.021 -0.130 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.357 7.734 0.017 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.761 5.357 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.236 4.866 1.046 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.870 5.567 1.945 1.00 0.00 H new ATOM 600 N ALA A 42 78.872 5.896 1.685 1.00 0.00 N ATOM 601 CA ALA A 42 79.744 4.771 1.987 1.00 0.00 C ATOM 602 C ALA A 42 80.375 4.968 3.361 1.00 0.00 C ATOM 603 O ALA A 42 80.625 4.004 4.086 1.00 0.00 O ATOM 604 CB ALA A 42 80.839 4.658 0.925 1.00 0.00 C ATOM 0 H ALA A 42 79.193 6.488 0.919 1.00 0.00 H new ATOM 0 HA ALA A 42 79.156 3.853 1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.487 3.813 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.383 4.505 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.429 5.575 0.911 1.00 0.00 H new ATOM 610 N ARG A 43 80.621 6.228 3.716 1.00 0.00 N ATOM 611 CA ARG A 43 81.213 6.545 5.010 1.00 0.00 C ATOM 612 C ARG A 43 80.408 5.885 6.122 1.00 0.00 C ATOM 613 O ARG A 43 80.970 5.316 7.057 1.00 0.00 O ATOM 614 CB ARG A 43 81.235 8.061 5.220 1.00 0.00 C ATOM 615 CG ARG A 43 82.526 8.460 5.940 1.00 0.00 C ATOM 616 CD ARG A 43 82.562 7.816 7.327 1.00 0.00 C ATOM 617 NE ARG A 43 81.245 7.879 7.949 1.00 0.00 N ATOM 618 CZ ARG A 43 80.791 9.008 8.482 1.00 0.00 C ATOM 619 NH1 ARG A 43 81.528 10.085 8.457 1.00 0.00 N ATOM 620 NH2 ARG A 43 79.605 9.042 9.029 1.00 0.00 N ATOM 0 H ARG A 43 80.421 7.038 3.130 1.00 0.00 H new ATOM 0 HA ARG A 43 82.235 6.168 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 43 81.169 8.572 4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 43 80.369 8.370 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 43 83.391 8.142 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 43 82.583 9.545 6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 43 82.884 6.778 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 43 83.292 8.327 7.954 1.00 0.00 H new ATOM 0 HE ARG A 43 80.662 7.042 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 43 82.453 10.060 8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 43 81.179 10.952 8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 43 79.027 8.202 9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 43 79.257 9.909 9.438 1.00 0.00 H new ATOM 634 N GLY A 44 79.087 5.956 6.006 1.00 0.00 N ATOM 635 CA GLY A 44 78.211 5.349 7.001 1.00 0.00 C ATOM 636 C GLY A 44 78.496 3.855 7.107 1.00 0.00 C ATOM 637 O GLY A 44 78.587 3.302 8.202 1.00 0.00 O ATOM 0 H GLY A 44 78.602 6.424 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.362 5.826 7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.169 5.510 6.726 1.00 0.00 H new ATOM 641 N GLN A 45 78.642 3.213 5.952 1.00 0.00 N ATOM 642 CA GLN A 45 78.928 1.782 5.905 1.00 0.00 C ATOM 643 C GLN A 45 80.215 1.468 6.664 1.00 0.00 C ATOM 644 O GLN A 45 80.327 0.419 7.287 1.00 0.00 O ATOM 645 CB GLN A 45 79.062 1.321 4.454 1.00 0.00 C ATOM 646 CG GLN A 45 77.812 1.725 3.671 1.00 0.00 C ATOM 647 CD GLN A 45 76.582 1.055 4.273 1.00 0.00 C ATOM 648 OE1 GLN A 45 76.688 -0.139 4.788 1.00 0.00 O flip ATOM 649 NE2 GLN A 45 75.496 1.636 4.274 1.00 0.00 N flip ATOM 0 H GLN A 45 78.567 3.659 5.038 1.00 0.00 H new ATOM 0 HA GLN A 45 78.102 1.250 6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.947 1.766 4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 45 79.194 0.240 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 45 77.694 2.808 3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 45 77.919 1.437 2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 45 75.417 2.569 3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 45 74.676 1.184 4.678 1.00 0.00 H new ATOM 658 N ILE A 46 81.182 2.385 6.616 1.00 0.00 N ATOM 659 CA ILE A 46 82.441 2.173 7.326 1.00 0.00 C ATOM 660 C ILE A 46 82.177 2.140 8.820 1.00 0.00 C ATOM 661 O ILE A 46 82.545 1.183 9.502 1.00 0.00 O ATOM 662 CB ILE A 46 83.437 3.287 6.999 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.803 3.223 5.515 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.700 3.109 7.842 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.633 4.452 5.141 1.00 0.00 C ATOM 0 H ILE A 46 81.120 3.265 6.103 1.00 0.00 H new ATOM 0 HA ILE A 46 82.870 1.223 7.008 1.00 0.00 H new ATOM 0 HB ILE A 46 82.985 4.254 7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 46 84.367 2.313 5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.899 3.183 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.409 3.903 7.608 1.00 0.00 H new ATOM 0 HG22 ILE A 46 84.441 3.154 8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 46 85.152 2.142 7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.894 4.407 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 46 84.053 5.355 5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.544 4.472 5.739 1.00 0.00 H new ATOM 677 N ASN A 47 81.500 3.164 9.321 1.00 0.00 N ATOM 678 CA ASN A 47 81.161 3.195 10.729 1.00 0.00 C ATOM 679 C ASN A 47 80.449 1.898 11.056 1.00 0.00 C ATOM 680 O ASN A 47 80.577 1.364 12.152 1.00 0.00 O ATOM 681 CB ASN A 47 80.249 4.385 11.033 1.00 0.00 C ATOM 682 CG ASN A 47 80.975 5.690 10.722 1.00 0.00 C ATOM 683 OD1 ASN A 47 82.192 5.695 10.539 1.00 0.00 O ATOM 684 ND2 ASN A 47 80.298 6.804 10.651 1.00 0.00 N ATOM 0 H ASN A 47 81.181 3.969 8.782 1.00 0.00 H new ATOM 0 HA ASN A 47 82.062 3.303 11.333 1.00 0.00 H new ATOM 0 HB2 ASN A 47 79.337 4.316 10.440 1.00 0.00 H new ATOM 0 HB3 ASN A 47 79.950 4.366 12.081 1.00 0.00 H new ATOM 0 HD21 ASN A 47 80.778 7.680 10.444 1.00 0.00 H new ATOM 0 HD22 ASN A 47 79.289 6.798 10.803 1.00 0.00 H new ATOM 691 N ASP A 48 79.710 1.395 10.069 1.00 0.00 N ATOM 692 CA ASP A 48 78.978 0.148 10.222 1.00 0.00 C ATOM 693 C ASP A 48 79.920 -1.049 10.190 1.00 0.00 C ATOM 694 O ASP A 48 79.846 -1.935 11.040 1.00 0.00 O ATOM 695 CB ASP A 48 77.938 0.011 9.111 1.00 0.00 C ATOM 696 CG ASP A 48 76.821 -0.924 9.557 1.00 0.00 C ATOM 697 OD1 ASP A 48 77.115 -1.856 10.287 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.690 -0.695 9.163 1.00 0.00 O ATOM 0 H ASP A 48 79.605 1.836 9.155 1.00 0.00 H new ATOM 0 HA ASP A 48 78.478 0.168 11.190 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.527 0.990 8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.408 -0.376 8.207 1.00 0.00 H new ATOM 703 N TYR A 49 80.798 -1.070 9.198 1.00 0.00 N ATOM 704 CA TYR A 49 81.745 -2.164 9.055 1.00 0.00 C ATOM 705 C TYR A 49 82.686 -2.217 10.254 1.00 0.00 C ATOM 706 O TYR A 49 82.856 -3.265 10.877 1.00 0.00 O ATOM 707 CB TYR A 49 82.560 -1.985 7.773 1.00 0.00 C ATOM 708 CG TYR A 49 83.603 -3.073 7.684 1.00 0.00 C ATOM 709 CD1 TYR A 49 83.213 -4.401 7.477 1.00 0.00 C ATOM 710 CD2 TYR A 49 84.961 -2.753 7.807 1.00 0.00 C ATOM 711 CE1 TYR A 49 84.181 -5.410 7.393 1.00 0.00 C ATOM 712 CE2 TYR A 49 85.928 -3.762 7.724 1.00 0.00 C ATOM 713 CZ TYR A 49 85.538 -5.090 7.516 1.00 0.00 C ATOM 714 OH TYR A 49 86.492 -6.083 7.434 1.00 0.00 O ATOM 0 H TYR A 49 80.874 -0.346 8.484 1.00 0.00 H new ATOM 0 HA TYR A 49 81.187 -3.099 9.003 1.00 0.00 H new ATOM 0 HB2 TYR A 49 81.904 -2.024 6.904 1.00 0.00 H new ATOM 0 HB3 TYR A 49 83.039 -1.006 7.768 1.00 0.00 H new ATOM 0 HD1 TYR A 49 82.166 -4.648 7.382 1.00 0.00 H new ATOM 0 HD2 TYR A 49 85.262 -1.728 7.966 1.00 0.00 H new ATOM 0 HE1 TYR A 49 83.880 -6.435 7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 49 86.975 -3.516 7.820 1.00 0.00 H new ATOM 0 HH TYR A 49 86.507 -6.592 8.271 1.00 0.00 H new ATOM 724 N ILE A 50 83.295 -1.080 10.567 1.00 0.00 N ATOM 725 CA ILE A 50 84.221 -1.000 11.689 1.00 0.00 C ATOM 726 C ILE A 50 83.472 -1.043 13.019 1.00 0.00 C ATOM 727 O ILE A 50 84.041 -1.414 14.046 1.00 0.00 O ATOM 728 CB ILE A 50 85.040 0.289 11.597 1.00 0.00 C ATOM 729 CG1 ILE A 50 86.232 0.066 10.663 1.00 0.00 C ATOM 730 CG2 ILE A 50 85.547 0.675 12.987 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.910 1.404 10.369 1.00 0.00 C ATOM 0 H ILE A 50 83.165 -0.204 10.062 1.00 0.00 H new ATOM 0 HA ILE A 50 84.890 -1.860 11.643 1.00 0.00 H new ATOM 0 HB ILE A 50 84.414 1.091 11.206 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.943 -0.621 11.122 1.00 0.00 H new ATOM 0 HG13 ILE A 50 85.898 -0.396 9.734 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.130 1.593 12.920 1.00 0.00 H new ATOM 0 HG22 ILE A 50 84.699 0.832 13.653 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.174 -0.125 13.381 1.00 0.00 H new ATOM 0 HD11 ILE A 50 87.759 1.244 9.704 1.00 0.00 H new ATOM 0 HD12 ILE A 50 86.197 2.076 9.892 1.00 0.00 H new ATOM 0 HD13 ILE A 50 87.259 1.848 11.301 1.00 0.00 H new ATOM 743 N SER A 51 82.198 -0.660 12.998 1.00 0.00 N ATOM 744 CA SER A 51 81.398 -0.661 14.226 1.00 0.00 C ATOM 745 C SER A 51 81.491 -2.009 14.926 1.00 0.00 C ATOM 746 O SER A 51 82.064 -2.125 16.009 1.00 0.00 O ATOM 747 CB SER A 51 79.929 -0.377 13.918 1.00 0.00 C ATOM 748 OG SER A 51 79.644 0.990 14.187 1.00 0.00 O ATOM 0 H SER A 51 81.702 -0.350 12.162 1.00 0.00 H new ATOM 0 HA SER A 51 81.795 0.121 14.874 1.00 0.00 H new ATOM 0 HB2 SER A 51 79.714 -0.606 12.874 1.00 0.00 H new ATOM 0 HB3 SER A 51 79.289 -1.019 14.523 1.00 0.00 H new ATOM 0 HG SER A 51 80.402 1.544 13.906 1.00 0.00 H new ATOM 754 N ARG A 52 80.911 -3.023 14.298 1.00 0.00 N ATOM 755 CA ARG A 52 80.916 -4.366 14.869 1.00 0.00 C ATOM 756 C ARG A 52 81.119 -5.409 13.782 1.00 0.00 C ATOM 757 O ARG A 52 80.984 -6.609 14.025 1.00 0.00 O ATOM 758 CB ARG A 52 79.590 -4.632 15.584 1.00 0.00 C ATOM 759 CG ARG A 52 78.557 -5.133 14.570 1.00 0.00 C ATOM 760 CD ARG A 52 77.150 -4.965 15.144 1.00 0.00 C ATOM 761 NE ARG A 52 77.049 -5.630 16.438 1.00 0.00 N ATOM 762 CZ ARG A 52 75.872 -5.809 17.029 1.00 0.00 C ATOM 763 NH1 ARG A 52 74.780 -5.386 16.452 1.00 0.00 N ATOM 764 NH2 ARG A 52 75.808 -6.408 18.186 1.00 0.00 N ATOM 0 H ARG A 52 80.434 -2.944 13.400 1.00 0.00 H new ATOM 0 HA ARG A 52 81.738 -4.433 15.582 1.00 0.00 H new ATOM 0 HB2 ARG A 52 79.731 -5.372 16.372 1.00 0.00 H new ATOM 0 HB3 ARG A 52 79.233 -3.720 16.063 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.649 -4.576 13.637 1.00 0.00 H new ATOM 0 HG3 ARG A 52 78.742 -6.181 14.335 1.00 0.00 H new ATOM 0 HD2 ARG A 52 76.918 -3.905 15.253 1.00 0.00 H new ATOM 0 HD3 ARG A 52 76.416 -5.383 14.455 1.00 0.00 H new ATOM 0 HE ARG A 52 77.896 -5.964 16.897 1.00 0.00 H new ATOM 0 HH11 ARG A 52 74.830 -4.918 15.547 1.00 0.00 H new ATOM 0 HH12 ARG A 52 73.877 -5.524 16.906 1.00 0.00 H new ATOM 0 HH21 ARG A 52 76.661 -6.739 18.637 1.00 0.00 H new ATOM 0 HH22 ARG A 52 74.905 -6.546 18.640 1.00 0.00 H new ATOM 778 N TYR A 53 81.434 -4.947 12.579 1.00 0.00 N ATOM 779 CA TYR A 53 81.644 -5.852 11.460 1.00 0.00 C ATOM 780 C TYR A 53 83.097 -5.804 10.993 1.00 0.00 C ATOM 781 O TYR A 53 83.393 -6.017 9.817 1.00 0.00 O ATOM 782 CB TYR A 53 80.704 -5.472 10.313 1.00 0.00 C ATOM 783 CG TYR A 53 79.744 -6.607 10.068 1.00 0.00 C ATOM 784 CD1 TYR A 53 78.528 -6.656 10.758 1.00 0.00 C ATOM 785 CD2 TYR A 53 80.073 -7.613 9.153 1.00 0.00 C ATOM 786 CE1 TYR A 53 77.641 -7.713 10.534 1.00 0.00 C ATOM 787 CE2 TYR A 53 79.184 -8.670 8.928 1.00 0.00 C ATOM 788 CZ TYR A 53 77.969 -8.719 9.618 1.00 0.00 C ATOM 789 OH TYR A 53 77.096 -9.762 9.400 1.00 0.00 O ATOM 0 H TYR A 53 81.549 -3.958 12.355 1.00 0.00 H new ATOM 0 HA TYR A 53 81.426 -6.870 11.782 1.00 0.00 H new ATOM 0 HB2 TYR A 53 80.156 -4.563 10.561 1.00 0.00 H new ATOM 0 HB3 TYR A 53 81.278 -5.263 9.410 1.00 0.00 H new ATOM 0 HD1 TYR A 53 78.275 -5.878 11.463 1.00 0.00 H new ATOM 0 HD2 TYR A 53 81.012 -7.574 8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 53 76.703 -7.753 11.068 1.00 0.00 H new ATOM 0 HE2 TYR A 53 79.436 -9.447 8.222 1.00 0.00 H new ATOM 0 HH TYR A 53 77.600 -10.598 9.311 1.00 0.00 H new ATOM 799 N ARG A 54 84.003 -5.526 11.926 1.00 0.00 N ATOM 800 CA ARG A 54 85.423 -5.453 11.602 1.00 0.00 C ATOM 801 C ARG A 54 85.955 -6.823 11.191 1.00 0.00 C ATOM 802 O ARG A 54 86.058 -7.127 10.003 1.00 0.00 O ATOM 803 CB ARG A 54 86.210 -4.939 12.810 1.00 0.00 C ATOM 804 CG ARG A 54 85.385 -5.138 14.084 1.00 0.00 C ATOM 805 CD ARG A 54 86.305 -5.076 15.304 1.00 0.00 C ATOM 806 NE ARG A 54 87.101 -3.855 15.277 1.00 0.00 N ATOM 807 CZ ARG A 54 87.562 -3.309 16.399 1.00 0.00 C ATOM 808 NH1 ARG A 54 87.298 -3.863 17.550 1.00 0.00 N ATOM 809 NH2 ARG A 54 88.276 -2.218 16.348 1.00 0.00 N ATOM 0 H ARG A 54 83.781 -5.349 12.906 1.00 0.00 H new ATOM 0 HA ARG A 54 85.548 -4.764 10.767 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.158 -5.471 12.892 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.447 -3.883 12.680 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.616 -4.369 14.156 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.872 -6.099 14.051 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.711 -5.111 16.218 1.00 0.00 H new ATOM 0 HD3 ARG A 54 86.962 -5.946 15.317 1.00 0.00 H new ATOM 0 HE ARG A 54 87.308 -3.412 14.382 1.00 0.00 H new ATOM 0 HH11 ARG A 54 86.738 -4.715 17.590 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.651 -3.445 18.410 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.481 -1.784 15.448 1.00 0.00 H new ATOM 0 HH22 ARG A 54 88.630 -1.799 17.208 1.00 0.00 H new ATOM 823 N ARG A 55 86.295 -7.644 12.180 1.00 0.00 N ATOM 824 CA ARG A 55 86.819 -8.977 11.907 1.00 0.00 C ATOM 825 C ARG A 55 85.776 -9.831 11.194 1.00 0.00 C ATOM 826 O ARG A 55 84.763 -10.212 11.781 1.00 0.00 O ATOM 827 CB ARG A 55 87.229 -9.656 13.216 1.00 0.00 C ATOM 828 CG ARG A 55 87.739 -8.601 14.200 1.00 0.00 C ATOM 829 CD ARG A 55 88.644 -9.267 15.237 1.00 0.00 C ATOM 830 NE ARG A 55 88.705 -8.454 16.448 1.00 0.00 N ATOM 831 CZ ARG A 55 89.619 -7.500 16.592 1.00 0.00 C ATOM 832 NH1 ARG A 55 90.483 -7.275 15.640 1.00 0.00 N ATOM 833 NH2 ARG A 55 89.651 -6.786 17.684 1.00 0.00 N ATOM 0 H ARG A 55 86.218 -7.412 13.170 1.00 0.00 H new ATOM 0 HA ARG A 55 87.691 -8.876 11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 55 86.379 -10.187 13.644 1.00 0.00 H new ATOM 0 HB3 ARG A 55 88.005 -10.397 13.026 1.00 0.00 H new ATOM 0 HG2 ARG A 55 88.289 -7.826 13.666 1.00 0.00 H new ATOM 0 HG3 ARG A 55 86.899 -8.113 14.694 1.00 0.00 H new ATOM 0 HD2 ARG A 55 88.266 -10.261 15.476 1.00 0.00 H new ATOM 0 HD3 ARG A 55 89.645 -9.397 14.827 1.00 0.00 H new ATOM 0 HE ARG A 55 88.034 -8.621 17.198 1.00 0.00 H new ATOM 0 HH11 ARG A 55 90.457 -7.831 14.785 1.00 0.00 H new ATOM 0 HH12 ARG A 55 91.184 -6.543 15.751 1.00 0.00 H new ATOM 0 HH21 ARG A 55 88.974 -6.960 18.427 1.00 0.00 H new ATOM 0 HH22 ARG A 55 90.353 -6.054 17.794 1.00 0.00 H new ATOM 847 N LYS A 56 86.031 -10.130 9.924 1.00 0.00 N ATOM 848 CA LYS A 56 85.109 -10.942 9.140 1.00 0.00 C ATOM 849 C LYS A 56 85.134 -12.390 9.617 1.00 0.00 C ATOM 850 O LYS A 56 84.092 -13.036 9.727 1.00 0.00 O ATOM 851 CB LYS A 56 85.494 -10.883 7.661 1.00 0.00 C ATOM 852 CG LYS A 56 84.410 -11.561 6.822 1.00 0.00 C ATOM 853 CD LYS A 56 84.624 -11.225 5.344 1.00 0.00 C ATOM 854 CE LYS A 56 84.538 -12.505 4.512 1.00 0.00 C ATOM 855 NZ LYS A 56 83.283 -13.233 4.850 1.00 0.00 N ATOM 0 H LYS A 56 86.863 -9.824 9.419 1.00 0.00 H new ATOM 0 HA LYS A 56 84.102 -10.546 9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 56 85.616 -9.846 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 56 86.452 -11.378 7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 56 84.443 -12.641 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.424 -11.226 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 56 83.872 -10.510 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.596 -10.753 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 56 84.556 -12.263 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 56 85.403 -13.138 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 82.910 -13.696 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 83.483 -13.952 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 82.579 -12.560 5.215 1.00 0.00 H new ATOM 869 N GLY A 57 86.331 -12.892 9.902 1.00 0.00 N ATOM 870 CA GLY A 57 86.481 -14.265 10.368 1.00 0.00 C ATOM 871 C GLY A 57 87.848 -14.476 11.008 1.00 0.00 C ATOM 872 O GLY A 57 88.788 -14.930 10.353 1.00 0.00 O ATOM 0 H GLY A 57 87.205 -12.373 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.698 -14.496 11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 57 86.357 -14.953 9.532 1.00 0.00 H new ATOM 876 N ASP A 58 87.954 -14.144 12.289 1.00 0.00 N ATOM 877 CA ASP A 58 89.214 -14.301 13.007 1.00 0.00 C ATOM 878 C ASP A 58 89.873 -15.627 12.644 1.00 0.00 C ATOM 879 O ASP A 58 89.548 -16.669 13.214 1.00 0.00 O ATOM 880 CB ASP A 58 88.967 -14.249 14.516 1.00 0.00 C ATOM 881 CG ASP A 58 90.095 -14.963 15.254 1.00 0.00 C ATOM 882 OD1 ASP A 58 91.079 -14.312 15.563 1.00 0.00 O ATOM 883 OD2 ASP A 58 89.958 -16.150 15.499 1.00 0.00 O ATOM 0 H ASP A 58 87.189 -13.767 12.849 1.00 0.00 H new ATOM 0 HA ASP A 58 89.878 -13.486 12.720 1.00 0.00 H new ATOM 0 HB2 ASP A 58 88.904 -13.212 14.847 1.00 0.00 H new ATOM 0 HB3 ASP A 58 88.012 -14.718 14.753 1.00 0.00 H new ATOM 888 N ALA A 59 90.800 -15.583 11.693 1.00 0.00 N ATOM 889 CA ALA A 59 91.496 -16.789 11.262 1.00 0.00 C ATOM 890 C ALA A 59 92.986 -16.514 11.090 1.00 0.00 C ATOM 891 O ALA A 59 93.748 -17.395 10.691 1.00 0.00 O ATOM 892 CB ALA A 59 90.912 -17.287 9.940 1.00 0.00 C ATOM 0 H ALA A 59 91.085 -14.732 11.209 1.00 0.00 H new ATOM 0 HA ALA A 59 91.364 -17.554 12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 59 91.439 -18.188 9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 59 89.854 -17.512 10.072 1.00 0.00 H new ATOM 0 HB3 ALA A 59 91.027 -16.516 9.178 1.00 0.00 H new ATOM 898 N GLY A 60 93.396 -15.287 11.391 1.00 0.00 N ATOM 899 CA GLY A 60 94.797 -14.907 11.265 1.00 0.00 C ATOM 900 C GLY A 60 94.937 -13.578 10.530 1.00 0.00 C ATOM 901 O GLY A 60 95.929 -12.868 10.695 1.00 0.00 O ATOM 0 H GLY A 60 92.782 -14.543 11.722 1.00 0.00 H new ATOM 0 HA2 GLY A 60 95.247 -14.829 12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 60 95.342 -15.683 10.728 1.00 0.00 H new ATOM 905 N GLY A 61 93.937 -13.250 9.720 1.00 0.00 N ATOM 906 CA GLY A 61 93.958 -12.003 8.964 1.00 0.00 C ATOM 907 C GLY A 61 94.245 -12.266 7.489 1.00 0.00 C ATOM 908 O GLY A 61 95.207 -12.954 7.148 1.00 0.00 O ATOM 0 H GLY A 61 93.108 -13.825 9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 61 93.000 -11.494 9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 61 94.718 -11.337 9.374 1.00 0.00 H new ATOM 912 N LEU A 62 93.406 -11.714 6.620 1.00 0.00 N ATOM 913 CA LEU A 62 93.581 -11.896 5.183 1.00 0.00 C ATOM 914 C LEU A 62 94.150 -10.631 4.551 1.00 0.00 C ATOM 915 O LEU A 62 94.434 -9.654 5.243 1.00 0.00 O ATOM 916 CB LEU A 62 92.240 -12.235 4.531 1.00 0.00 C ATOM 917 CG LEU A 62 91.189 -12.475 5.615 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.852 -12.821 4.959 1.00 0.00 C ATOM 919 CD2 LEU A 62 91.635 -13.636 6.507 1.00 0.00 C ATOM 0 H LEU A 62 92.604 -11.141 6.882 1.00 0.00 H new ATOM 0 HA LEU A 62 94.280 -12.717 5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.925 -11.420 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 62 92.342 -13.122 3.906 1.00 0.00 H new ATOM 0 HG LEU A 62 91.075 -11.575 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 62 89.102 -12.992 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 62 89.535 -11.996 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 62 89.965 -13.722 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 62 90.887 -13.809 7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 62 91.747 -14.537 5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 62 92.589 -13.391 6.973 1.00 0.00 H new ATOM 931 N LYS A 63 94.311 -10.656 3.233 1.00 0.00 N ATOM 932 CA LYS A 63 94.846 -9.505 2.516 1.00 0.00 C ATOM 933 C LYS A 63 93.717 -8.590 2.052 1.00 0.00 C ATOM 934 O LYS A 63 93.914 -7.391 1.865 1.00 0.00 O ATOM 935 CB LYS A 63 95.657 -9.973 1.307 1.00 0.00 C ATOM 936 CG LYS A 63 95.037 -11.251 0.738 1.00 0.00 C ATOM 937 CD LYS A 63 95.678 -11.571 -0.614 1.00 0.00 C ATOM 938 CE LYS A 63 95.361 -13.017 -1.001 1.00 0.00 C ATOM 939 NZ LYS A 63 93.908 -13.281 -0.799 1.00 0.00 N ATOM 0 H LYS A 63 94.080 -11.455 2.642 1.00 0.00 H new ATOM 0 HA LYS A 63 95.494 -8.948 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.675 -9.194 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.691 -10.157 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.188 -12.080 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.961 -11.125 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 63 95.303 -10.889 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.757 -11.426 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 63 95.632 -13.193 -2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 63 95.953 -13.704 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.632 -14.131 -1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 93.720 -13.430 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 93.357 -12.466 -1.137 1.00 0.00 H new ATOM 953 N SER A 64 92.533 -9.166 1.866 1.00 0.00 N ATOM 954 CA SER A 64 91.380 -8.391 1.422 1.00 0.00 C ATOM 955 C SER A 64 90.800 -7.582 2.578 1.00 0.00 C ATOM 956 O SER A 64 90.351 -6.452 2.392 1.00 0.00 O ATOM 957 CB SER A 64 90.308 -9.324 0.861 1.00 0.00 C ATOM 958 OG SER A 64 90.186 -9.112 -0.539 1.00 0.00 O ATOM 0 H SER A 64 92.348 -10.158 2.014 1.00 0.00 H new ATOM 0 HA SER A 64 91.707 -7.704 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 64 90.572 -10.362 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.354 -9.137 1.353 1.00 0.00 H new ATOM 0 HG SER A 64 89.500 -9.710 -0.902 1.00 0.00 H new ATOM 964 N PHE A 65 90.813 -8.168 3.771 1.00 0.00 N ATOM 965 CA PHE A 65 90.283 -7.490 4.949 1.00 0.00 C ATOM 966 C PHE A 65 91.176 -6.317 5.339 1.00 0.00 C ATOM 967 O PHE A 65 90.687 -5.252 5.719 1.00 0.00 O ATOM 968 CB PHE A 65 90.189 -8.470 6.120 1.00 0.00 C ATOM 969 CG PHE A 65 90.620 -7.776 7.390 1.00 0.00 C ATOM 970 CD1 PHE A 65 89.684 -7.064 8.151 1.00 0.00 C ATOM 971 CD2 PHE A 65 91.954 -7.844 7.807 1.00 0.00 C ATOM 972 CE1 PHE A 65 90.083 -6.420 9.328 1.00 0.00 C ATOM 973 CE2 PHE A 65 92.354 -7.198 8.983 1.00 0.00 C ATOM 974 CZ PHE A 65 91.418 -6.487 9.744 1.00 0.00 C ATOM 0 H PHE A 65 91.181 -9.103 3.947 1.00 0.00 H new ATOM 0 HA PHE A 65 89.289 -7.113 4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 65 89.167 -8.836 6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.822 -9.338 5.934 1.00 0.00 H new ATOM 0 HD1 PHE A 65 88.654 -7.012 7.830 1.00 0.00 H new ATOM 0 HD2 PHE A 65 92.675 -8.395 7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 65 89.361 -5.872 9.915 1.00 0.00 H new ATOM 0 HE2 PHE A 65 93.384 -7.248 9.303 1.00 0.00 H new ATOM 0 HZ PHE A 65 91.726 -5.990 10.652 1.00 0.00 H new ATOM 984 N THR A 66 92.486 -6.518 5.247 1.00 0.00 N ATOM 985 CA THR A 66 93.436 -5.468 5.598 1.00 0.00 C ATOM 986 C THR A 66 93.312 -4.289 4.641 1.00 0.00 C ATOM 987 O THR A 66 93.637 -3.155 4.995 1.00 0.00 O ATOM 988 CB THR A 66 94.864 -6.016 5.555 1.00 0.00 C ATOM 989 OG1 THR A 66 94.986 -7.091 6.476 1.00 0.00 O ATOM 990 CG2 THR A 66 95.851 -4.907 5.929 1.00 0.00 C ATOM 0 H THR A 66 92.912 -7.391 4.935 1.00 0.00 H new ATOM 0 HA THR A 66 93.210 -5.126 6.608 1.00 0.00 H new ATOM 0 HB THR A 66 95.086 -6.372 4.549 1.00 0.00 H new ATOM 0 HG1 THR A 66 94.775 -7.935 6.024 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.868 -5.299 5.898 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.758 -4.083 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.631 -4.548 6.934 1.00 0.00 H new ATOM 998 N THR A 67 92.840 -4.559 3.427 1.00 0.00 N ATOM 999 CA THR A 67 92.679 -3.509 2.434 1.00 0.00 C ATOM 1000 C THR A 67 91.513 -2.601 2.803 1.00 0.00 C ATOM 1001 O THR A 67 91.590 -1.384 2.644 1.00 0.00 O ATOM 1002 CB THR A 67 92.424 -4.123 1.062 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.512 -5.539 1.154 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.462 -3.605 0.064 1.00 0.00 C ATOM 0 H THR A 67 92.565 -5.489 3.112 1.00 0.00 H new ATOM 0 HA THR A 67 93.595 -2.920 2.406 1.00 0.00 H new ATOM 0 HB THR A 67 91.428 -3.843 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 67 93.438 -5.798 1.342 1.00 0.00 H new ATOM 0 HG21 THR A 67 93.277 -4.046 -0.915 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.389 -2.520 -0.007 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.461 -3.880 0.402 1.00 0.00 H new ATOM 1012 N MET A 68 90.434 -3.197 3.301 1.00 0.00 N ATOM 1013 CA MET A 68 89.267 -2.417 3.690 1.00 0.00 C ATOM 1014 C MET A 68 89.698 -1.276 4.600 1.00 0.00 C ATOM 1015 O MET A 68 89.200 -0.155 4.492 1.00 0.00 O ATOM 1016 CB MET A 68 88.255 -3.308 4.418 1.00 0.00 C ATOM 1017 CG MET A 68 87.304 -3.943 3.400 1.00 0.00 C ATOM 1018 SD MET A 68 85.873 -2.864 3.155 1.00 0.00 S ATOM 1019 CE MET A 68 84.710 -3.791 4.187 1.00 0.00 C ATOM 0 H MET A 68 90.344 -4.203 3.443 1.00 0.00 H new ATOM 0 HA MET A 68 88.796 -2.009 2.795 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.776 -4.085 4.978 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.690 -2.719 5.140 1.00 0.00 H new ATOM 0 HG2 MET A 68 87.820 -4.100 2.453 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.979 -4.922 3.752 1.00 0.00 H new ATOM 0 HE1 MET A 68 84.179 -3.103 4.845 1.00 0.00 H new ATOM 0 HE2 MET A 68 83.993 -4.310 3.551 1.00 0.00 H new ATOM 0 HE3 MET A 68 85.256 -4.519 4.787 1.00 0.00 H new ATOM 1029 N GLN A 69 90.643 -1.568 5.486 1.00 0.00 N ATOM 1030 CA GLN A 69 91.157 -0.560 6.403 1.00 0.00 C ATOM 1031 C GLN A 69 92.169 0.328 5.688 1.00 0.00 C ATOM 1032 O GLN A 69 92.366 1.485 6.058 1.00 0.00 O ATOM 1033 CB GLN A 69 91.821 -1.237 7.603 1.00 0.00 C ATOM 1034 CG GLN A 69 91.267 -0.641 8.898 1.00 0.00 C ATOM 1035 CD GLN A 69 92.090 -1.126 10.086 1.00 0.00 C ATOM 1036 OE1 GLN A 69 92.773 -2.233 9.986 1.00 0.00 O flip ATOM 1037 NE2 GLN A 69 92.111 -0.478 11.133 1.00 0.00 N flip ATOM 0 H GLN A 69 91.067 -2.490 5.588 1.00 0.00 H new ATOM 0 HA GLN A 69 90.328 0.055 6.753 1.00 0.00 H new ATOM 0 HB2 GLN A 69 91.636 -2.311 7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 69 92.901 -1.099 7.560 1.00 0.00 H new ATOM 0 HG2 GLN A 69 91.292 0.448 8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 69 90.224 -0.930 9.025 1.00 0.00 H new ATOM 0 HE21 GLN A 69 91.576 0.387 11.208 1.00 0.00 H new ATOM 0 HE22 GLN A 69 92.663 -0.806 11.925 1.00 0.00 H new ATOM 1046 N THR A 70 92.807 -0.224 4.659 1.00 0.00 N ATOM 1047 CA THR A 70 93.795 0.528 3.896 1.00 0.00 C ATOM 1048 C THR A 70 93.108 1.552 3.001 1.00 0.00 C ATOM 1049 O THR A 70 93.476 2.726 2.993 1.00 0.00 O ATOM 1050 CB THR A 70 94.632 -0.425 3.041 1.00 0.00 C ATOM 1051 OG1 THR A 70 94.882 -1.618 3.772 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.961 0.243 2.682 1.00 0.00 C ATOM 0 H THR A 70 92.658 -1.181 4.338 1.00 0.00 H new ATOM 0 HA THR A 70 94.447 1.052 4.595 1.00 0.00 H new ATOM 0 HB THR A 70 94.090 -0.665 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 70 94.221 -1.706 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.557 -0.437 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.769 1.158 2.122 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.505 0.484 3.595 1.00 0.00 H new ATOM 1060 N ALA A 71 92.102 1.105 2.252 1.00 0.00 N ATOM 1061 CA ALA A 71 91.373 2.006 1.368 1.00 0.00 C ATOM 1062 C ALA A 71 90.573 3.012 2.186 1.00 0.00 C ATOM 1063 O ALA A 71 90.420 4.165 1.789 1.00 0.00 O ATOM 1064 CB ALA A 71 90.432 1.214 0.460 1.00 0.00 C ATOM 0 H ALA A 71 91.778 0.138 2.240 1.00 0.00 H new ATOM 0 HA ALA A 71 92.094 2.541 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 71 89.895 1.900 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 71 91.011 0.516 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.718 0.660 1.070 1.00 0.00 H new ATOM 1070 N LEU A 72 90.069 2.573 3.334 1.00 0.00 N ATOM 1071 CA LEU A 72 89.297 3.456 4.198 1.00 0.00 C ATOM 1072 C LEU A 72 90.108 4.707 4.510 1.00 0.00 C ATOM 1073 O LEU A 72 89.641 5.829 4.319 1.00 0.00 O ATOM 1074 CB LEU A 72 88.926 2.714 5.493 1.00 0.00 C ATOM 1075 CG LEU A 72 89.012 3.645 6.712 1.00 0.00 C ATOM 1076 CD1 LEU A 72 88.152 4.891 6.485 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.496 2.900 7.945 1.00 0.00 C ATOM 0 H LEU A 72 90.180 1.622 3.685 1.00 0.00 H new ATOM 0 HA LEU A 72 88.379 3.755 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 72 87.916 2.313 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 72 89.595 1.865 5.633 1.00 0.00 H new ATOM 0 HG LEU A 72 90.049 3.948 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.220 5.544 7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 72 88.508 5.423 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.114 4.594 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 72 88.553 3.554 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.460 2.602 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 72 89.106 2.013 8.116 1.00 0.00 H new ATOM 1089 N ASN A 73 91.329 4.501 4.990 1.00 0.00 N ATOM 1090 CA ASN A 73 92.206 5.616 5.330 1.00 0.00 C ATOM 1091 C ASN A 73 92.666 6.353 4.075 1.00 0.00 C ATOM 1092 O ASN A 73 92.683 7.582 4.040 1.00 0.00 O ATOM 1093 CB ASN A 73 93.425 5.103 6.098 1.00 0.00 C ATOM 1094 CG ASN A 73 92.994 4.567 7.460 1.00 0.00 C ATOM 1095 OD1 ASN A 73 92.923 5.380 8.478 1.00 0.00 O flip ATOM 1096 ND2 ASN A 73 92.717 3.377 7.599 1.00 0.00 N flip ATOM 0 H ASN A 73 91.733 3.578 5.152 1.00 0.00 H new ATOM 0 HA ASN A 73 91.645 6.312 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 73 93.920 4.317 5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.149 5.907 6.227 1.00 0.00 H new ATOM 0 HD21 ASN A 73 92.773 2.744 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 73 92.431 3.023 8.512 1.00 0.00 H new ATOM 1103 N SER A 74 93.044 5.597 3.049 1.00 0.00 N ATOM 1104 CA SER A 74 93.506 6.201 1.804 1.00 0.00 C ATOM 1105 C SER A 74 92.362 6.919 1.097 1.00 0.00 C ATOM 1106 O SER A 74 92.439 8.119 0.833 1.00 0.00 O ATOM 1107 CB SER A 74 94.081 5.126 0.882 1.00 0.00 C ATOM 1108 OG SER A 74 93.643 5.367 -0.449 1.00 0.00 O ATOM 0 H SER A 74 93.040 4.577 3.054 1.00 0.00 H new ATOM 0 HA SER A 74 94.282 6.927 2.044 1.00 0.00 H new ATOM 0 HB2 SER A 74 95.170 5.137 0.927 1.00 0.00 H new ATOM 0 HB3 SER A 74 93.758 4.138 1.210 1.00 0.00 H new ATOM 0 HG SER A 74 94.011 4.681 -1.044 1.00 0.00 H new ATOM 1114 N LEU A 75 91.302 6.177 0.795 1.00 0.00 N ATOM 1115 CA LEU A 75 90.147 6.759 0.119 1.00 0.00 C ATOM 1116 C LEU A 75 89.598 7.928 0.928 1.00 0.00 C ATOM 1117 O LEU A 75 88.982 8.841 0.380 1.00 0.00 O ATOM 1118 CB LEU A 75 89.055 5.699 -0.076 1.00 0.00 C ATOM 1119 CG LEU A 75 88.168 5.617 1.174 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.088 6.709 1.145 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.490 4.246 1.217 1.00 0.00 C ATOM 0 H LEU A 75 91.218 5.182 1.004 1.00 0.00 H new ATOM 0 HA LEU A 75 90.463 7.123 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.448 5.948 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.511 4.728 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 75 88.791 5.761 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.470 6.633 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.563 7.690 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.464 6.580 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.858 4.180 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.879 4.114 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.250 3.465 1.255 1.00 0.00 H new ATOM 1133 N ALA A 76 89.828 7.891 2.237 1.00 0.00 N ATOM 1134 CA ALA A 76 89.354 8.954 3.115 1.00 0.00 C ATOM 1135 C ALA A 76 90.049 10.269 2.781 1.00 0.00 C ATOM 1136 O ALA A 76 89.409 11.318 2.702 1.00 0.00 O ATOM 1137 CB ALA A 76 89.624 8.585 4.575 1.00 0.00 C ATOM 0 H ALA A 76 90.335 7.143 2.710 1.00 0.00 H new ATOM 0 HA ALA A 76 88.281 9.075 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 76 89.267 9.384 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 76 89.103 7.659 4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.695 8.448 4.724 1.00 0.00 H new ATOM 1143 N GLY A 77 91.363 10.204 2.586 1.00 0.00 N ATOM 1144 CA GLY A 77 92.134 11.397 2.258 1.00 0.00 C ATOM 1145 C GLY A 77 91.565 12.086 1.024 1.00 0.00 C ATOM 1146 O GLY A 77 91.583 13.312 0.922 1.00 0.00 O ATOM 0 H GLY A 77 91.911 9.346 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 77 92.123 12.086 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.175 11.126 2.081 1.00 0.00 H new ATOM 1150 N TYR A 78 91.056 11.289 0.090 1.00 0.00 N ATOM 1151 CA TYR A 78 90.479 11.835 -1.133 1.00 0.00 C ATOM 1152 C TYR A 78 89.213 12.627 -0.817 1.00 0.00 C ATOM 1153 O TYR A 78 89.031 13.743 -1.301 1.00 0.00 O ATOM 1154 CB TYR A 78 90.144 10.706 -2.108 1.00 0.00 C ATOM 1155 CG TYR A 78 89.002 11.138 -2.998 1.00 0.00 C ATOM 1156 CD1 TYR A 78 89.230 12.048 -4.037 1.00 0.00 C ATOM 1157 CD2 TYR A 78 87.716 10.630 -2.781 1.00 0.00 C ATOM 1158 CE1 TYR A 78 88.171 12.450 -4.859 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.657 11.032 -3.603 1.00 0.00 C ATOM 1160 CZ TYR A 78 86.885 11.942 -4.643 1.00 0.00 C ATOM 1161 OH TYR A 78 85.841 12.339 -5.453 1.00 0.00 O ATOM 0 H TYR A 78 91.031 10.271 0.155 1.00 0.00 H new ATOM 0 HA TYR A 78 91.211 12.501 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 78 91.018 10.460 -2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.872 9.805 -1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 78 90.223 12.440 -4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 78 87.541 9.928 -1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 78 88.346 13.153 -5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.664 10.641 -3.435 1.00 0.00 H new ATOM 0 HH TYR A 78 85.017 11.891 -5.168 1.00 0.00 H new ATOM 1171 N TYR A 79 88.341 12.039 -0.002 1.00 0.00 N ATOM 1172 CA TYR A 79 87.095 12.695 0.373 1.00 0.00 C ATOM 1173 C TYR A 79 87.357 14.128 0.823 1.00 0.00 C ATOM 1174 O TYR A 79 86.561 15.029 0.555 1.00 0.00 O ATOM 1175 CB TYR A 79 86.417 11.920 1.504 1.00 0.00 C ATOM 1176 CG TYR A 79 85.752 12.888 2.453 1.00 0.00 C ATOM 1177 CD1 TYR A 79 86.509 13.537 3.436 1.00 0.00 C ATOM 1178 CD2 TYR A 79 84.379 13.138 2.348 1.00 0.00 C ATOM 1179 CE1 TYR A 79 85.892 14.435 4.315 1.00 0.00 C ATOM 1180 CE2 TYR A 79 83.761 14.036 3.227 1.00 0.00 C ATOM 1181 CZ TYR A 79 84.518 14.685 4.210 1.00 0.00 C ATOM 1182 OH TYR A 79 83.910 15.572 5.076 1.00 0.00 O ATOM 0 H TYR A 79 88.474 11.115 0.409 1.00 0.00 H new ATOM 0 HA TYR A 79 86.441 12.714 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 79 85.678 11.231 1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.152 11.318 2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 79 87.569 13.345 3.516 1.00 0.00 H new ATOM 0 HD2 TYR A 79 83.796 12.638 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 79 86.475 14.935 5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 79 82.701 14.228 3.147 1.00 0.00 H new ATOM 0 HH TYR A 79 82.955 15.631 4.866 1.00 0.00 H new ATOM 1192 N THR A 80 88.477 14.331 1.509 1.00 0.00 N ATOM 1193 CA THR A 80 88.834 15.658 1.994 1.00 0.00 C ATOM 1194 C THR A 80 89.123 16.597 0.827 1.00 0.00 C ATOM 1195 O THR A 80 89.606 16.170 -0.222 1.00 0.00 O ATOM 1196 CB THR A 80 90.065 15.570 2.897 1.00 0.00 C ATOM 1197 OG1 THR A 80 89.679 15.086 4.175 1.00 0.00 O ATOM 1198 CG2 THR A 80 90.695 16.957 3.044 1.00 0.00 C ATOM 0 H THR A 80 89.148 13.599 1.740 1.00 0.00 H new ATOM 0 HA THR A 80 87.993 16.054 2.563 1.00 0.00 H new ATOM 0 HB THR A 80 90.792 14.889 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 80 90.467 15.027 4.754 1.00 0.00 H new ATOM 0 HG21 THR A 80 91.572 16.892 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 80 90.992 17.328 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 80 89.970 17.641 3.486 1.00 0.00 H new ATOM 1206 N SER A 81 88.827 17.879 1.018 1.00 0.00 N ATOM 1207 CA SER A 81 89.062 18.872 -0.025 1.00 0.00 C ATOM 1208 C SER A 81 90.508 18.807 -0.506 1.00 0.00 C ATOM 1209 O SER A 81 91.417 19.304 0.159 1.00 0.00 O ATOM 1210 CB SER A 81 88.763 20.272 0.514 1.00 0.00 C ATOM 1211 OG SER A 81 87.447 20.297 1.051 1.00 0.00 O ATOM 0 H SER A 81 88.427 18.253 1.879 1.00 0.00 H new ATOM 0 HA SER A 81 88.401 18.657 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 81 89.487 20.541 1.283 1.00 0.00 H new ATOM 0 HB3 SER A 81 88.857 21.009 -0.284 1.00 0.00 H new ATOM 0 HG SER A 81 87.253 21.192 1.399 1.00 0.00 H new ATOM 1217 N TYR A 82 90.714 18.188 -1.665 1.00 0.00 N ATOM 1218 CA TYR A 82 92.057 18.062 -2.223 1.00 0.00 C ATOM 1219 C TYR A 82 92.012 18.105 -3.748 1.00 0.00 C ATOM 1220 O TYR A 82 92.749 18.865 -4.379 1.00 0.00 O ATOM 1221 CB TYR A 82 92.688 16.746 -1.764 1.00 0.00 C ATOM 1222 CG TYR A 82 94.153 16.962 -1.471 1.00 0.00 C ATOM 1223 CD1 TYR A 82 94.541 17.778 -0.401 1.00 0.00 C ATOM 1224 CD2 TYR A 82 95.125 16.348 -2.269 1.00 0.00 C ATOM 1225 CE1 TYR A 82 95.899 17.979 -0.129 1.00 0.00 C ATOM 1226 CE2 TYR A 82 96.484 16.548 -1.998 1.00 0.00 C ATOM 1227 CZ TYR A 82 96.871 17.364 -0.927 1.00 0.00 C ATOM 1228 OH TYR A 82 98.210 17.561 -0.659 1.00 0.00 O ATOM 0 H TYR A 82 89.976 17.769 -2.231 1.00 0.00 H new ATOM 0 HA TYR A 82 92.659 18.898 -1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 82 92.179 16.378 -0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 82 92.569 15.985 -2.536 1.00 0.00 H new ATOM 0 HD1 TYR A 82 93.791 18.253 0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 82 94.826 15.719 -3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 82 96.197 18.608 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 82 97.233 16.074 -2.614 1.00 0.00 H new ATOM 0 HH TYR A 82 98.750 17.062 -1.307 1.00 0.00 H new ATOM 1238 N GLY A 83 91.146 17.285 -4.336 1.00 0.00 N ATOM 1239 CA GLY A 83 91.018 17.239 -5.790 1.00 0.00 C ATOM 1240 C GLY A 83 89.640 16.725 -6.200 1.00 0.00 C ATOM 1241 O GLY A 83 88.953 16.072 -5.414 1.00 0.00 O ATOM 0 H GLY A 83 90.527 16.648 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 83 91.177 18.234 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 83 91.790 16.593 -6.207 1.00 0.00 H new ATOM 1245 N ALA A 84 89.244 17.025 -7.432 1.00 0.00 N ATOM 1246 CA ALA A 84 87.946 16.588 -7.934 1.00 0.00 C ATOM 1247 C ALA A 84 88.052 16.153 -9.393 1.00 0.00 C ATOM 1248 O ALA A 84 87.362 16.689 -10.261 1.00 0.00 O ATOM 1249 CB ALA A 84 86.931 17.726 -7.810 1.00 0.00 C ATOM 0 H ALA A 84 89.798 17.565 -8.097 1.00 0.00 H new ATOM 0 HA ALA A 84 87.614 15.737 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 84 85.964 17.393 -8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 84 86.833 18.014 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 84 87.272 18.582 -8.392 1.00 0.00 H new ATOM 1255 N ARG A 85 88.913 15.175 -9.653 1.00 0.00 N ATOM 1256 CA ARG A 85 89.101 14.669 -11.009 1.00 0.00 C ATOM 1257 C ARG A 85 90.410 13.883 -11.117 1.00 0.00 C ATOM 1258 O ARG A 85 90.467 12.855 -11.793 1.00 0.00 O ATOM 1259 CB ARG A 85 89.082 15.827 -12.020 1.00 0.00 C ATOM 1260 CG ARG A 85 90.135 15.603 -13.110 1.00 0.00 C ATOM 1261 CD ARG A 85 89.922 16.626 -14.227 1.00 0.00 C ATOM 1262 NE ARG A 85 91.166 16.858 -14.954 1.00 0.00 N ATOM 1263 CZ ARG A 85 91.156 17.245 -16.226 1.00 0.00 C ATOM 1264 NH1 ARG A 85 90.020 17.409 -16.848 1.00 0.00 N ATOM 1265 NH2 ARG A 85 92.280 17.460 -16.853 1.00 0.00 N ATOM 0 H ARG A 85 89.490 14.718 -8.947 1.00 0.00 H new ATOM 0 HA ARG A 85 88.278 13.993 -11.241 1.00 0.00 H new ATOM 0 HB2 ARG A 85 88.093 15.907 -12.472 1.00 0.00 H new ATOM 0 HB3 ARG A 85 89.275 16.769 -11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 85 91.137 15.705 -12.692 1.00 0.00 H new ATOM 0 HG3 ARG A 85 90.057 14.591 -13.507 1.00 0.00 H new ATOM 0 HD2 ARG A 85 89.154 16.269 -14.913 1.00 0.00 H new ATOM 0 HD3 ARG A 85 89.561 17.564 -13.805 1.00 0.00 H new ATOM 0 HE ARG A 85 92.058 16.721 -14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 85 89.141 17.240 -16.358 1.00 0.00 H new ATOM 0 HH12 ARG A 85 90.011 17.706 -17.824 1.00 0.00 H new ATOM 0 HH21 ARG A 85 93.168 17.331 -16.367 1.00 0.00 H new ATOM 0 HH22 ARG A 85 92.271 17.757 -17.829 1.00 0.00 H new ATOM 1279 N PRO A 86 91.454 14.337 -10.467 1.00 0.00 N ATOM 1280 CA PRO A 86 92.772 13.657 -10.491 1.00 0.00 C ATOM 1281 C PRO A 86 92.892 12.604 -9.392 1.00 0.00 C ATOM 1282 O PRO A 86 92.775 12.915 -8.206 1.00 0.00 O ATOM 1283 CB PRO A 86 93.753 14.804 -10.261 1.00 0.00 C ATOM 1284 CG PRO A 86 93.002 15.833 -9.470 1.00 0.00 C ATOM 1285 CD PRO A 86 91.503 15.548 -9.636 1.00 0.00 C ATOM 0 HA PRO A 86 92.947 13.113 -11.419 1.00 0.00 H new ATOM 0 HB2 PRO A 86 94.635 14.462 -9.719 1.00 0.00 H new ATOM 0 HB3 PRO A 86 94.101 15.216 -11.208 1.00 0.00 H new ATOM 0 HG2 PRO A 86 93.285 15.789 -8.418 1.00 0.00 H new ATOM 0 HG3 PRO A 86 93.242 16.836 -9.823 1.00 0.00 H new ATOM 0 HD2 PRO A 86 91.019 15.389 -8.672 1.00 0.00 H new ATOM 0 HD3 PRO A 86 90.990 16.381 -10.117 1.00 0.00 H new ATOM 1293 N ILE A 87 93.121 11.357 -9.792 1.00 0.00 N ATOM 1294 CA ILE A 87 93.249 10.269 -8.828 1.00 0.00 C ATOM 1295 C ILE A 87 94.680 9.728 -8.809 1.00 0.00 C ATOM 1296 O ILE A 87 95.027 8.853 -9.604 1.00 0.00 O ATOM 1297 CB ILE A 87 92.290 9.136 -9.201 1.00 0.00 C ATOM 1298 CG1 ILE A 87 90.888 9.707 -9.420 1.00 0.00 C ATOM 1299 CG2 ILE A 87 92.245 8.107 -8.070 1.00 0.00 C ATOM 1300 CD1 ILE A 87 89.857 8.585 -9.291 1.00 0.00 C ATOM 0 H ILE A 87 93.221 11.076 -10.767 1.00 0.00 H new ATOM 0 HA ILE A 87 93.004 10.655 -7.839 1.00 0.00 H new ATOM 0 HB ILE A 87 92.638 8.656 -10.116 1.00 0.00 H new ATOM 0 HG12 ILE A 87 90.684 10.489 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 87 90.820 10.166 -10.406 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.561 7.301 -8.338 1.00 0.00 H new ATOM 0 HG22 ILE A 87 93.243 7.698 -7.910 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.899 8.587 -7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 87 88.857 8.990 -9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 87 90.058 7.818 -10.039 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.920 8.146 -8.295 1.00 0.00 H new ATOM 1312 N PRO A 88 95.511 10.213 -7.919 1.00 0.00 N ATOM 1313 CA PRO A 88 96.923 9.747 -7.808 1.00 0.00 C ATOM 1314 C PRO A 88 97.013 8.225 -7.720 1.00 0.00 C ATOM 1315 O PRO A 88 96.100 7.567 -7.223 1.00 0.00 O ATOM 1316 CB PRO A 88 97.429 10.398 -6.518 1.00 0.00 C ATOM 1317 CG PRO A 88 96.557 11.591 -6.306 1.00 0.00 C ATOM 1318 CD PRO A 88 95.202 11.259 -6.930 1.00 0.00 C ATOM 0 HA PRO A 88 97.513 10.021 -8.682 1.00 0.00 H new ATOM 0 HB2 PRO A 88 97.361 9.708 -5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.476 10.688 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.451 11.809 -5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.991 12.476 -6.771 1.00 0.00 H new ATOM 0 HD2 PRO A 88 94.494 10.903 -6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.755 12.134 -7.401 1.00 0.00 H new ATOM 1326 N GLU A 89 98.118 7.673 -8.208 1.00 0.00 N ATOM 1327 CA GLU A 89 98.316 6.230 -8.184 1.00 0.00 C ATOM 1328 C GLU A 89 97.963 5.658 -6.814 1.00 0.00 C ATOM 1329 O GLU A 89 97.523 4.521 -6.704 1.00 0.00 O ATOM 1330 CB GLU A 89 99.772 5.900 -8.514 1.00 0.00 C ATOM 1331 CG GLU A 89 100.697 6.658 -7.560 1.00 0.00 C ATOM 1332 CD GLU A 89 101.698 7.488 -8.356 1.00 0.00 C ATOM 1333 OE1 GLU A 89 101.289 8.483 -8.930 1.00 0.00 O ATOM 1334 OE2 GLU A 89 102.859 7.114 -8.380 1.00 0.00 O ATOM 0 H GLU A 89 98.886 8.200 -8.623 1.00 0.00 H new ATOM 0 HA GLU A 89 97.660 5.782 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.942 4.827 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.993 6.174 -9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 89 100.110 7.306 -6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 89 101.225 5.954 -6.916 1.00 0.00 H new ATOM 1341 N LYS A 90 98.161 6.451 -5.774 1.00 0.00 N ATOM 1342 CA LYS A 90 97.863 6.005 -4.420 1.00 0.00 C ATOM 1343 C LYS A 90 96.403 5.592 -4.295 1.00 0.00 C ATOM 1344 O LYS A 90 96.103 4.446 -3.981 1.00 0.00 O ATOM 1345 CB LYS A 90 98.164 7.121 -3.422 1.00 0.00 C ATOM 1346 CG LYS A 90 99.644 7.497 -3.502 1.00 0.00 C ATOM 1347 CD LYS A 90 100.187 7.739 -2.093 1.00 0.00 C ATOM 1348 CE LYS A 90 101.643 8.201 -2.176 1.00 0.00 C ATOM 1349 NZ LYS A 90 101.709 9.677 -1.979 1.00 0.00 N ATOM 0 H LYS A 90 98.525 7.402 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 90 98.491 5.142 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.545 7.992 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 90 97.915 6.796 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.207 6.700 -3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 90 99.770 8.393 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 90 99.585 8.492 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.118 6.825 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 90 102.240 7.695 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 90 102.066 7.934 -3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 102.699 9.991 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 101.153 10.151 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 101.321 9.920 -1.045 1.00 0.00 H new ATOM 1363 N LEU A 91 95.500 6.532 -4.551 1.00 0.00 N ATOM 1364 CA LEU A 91 94.079 6.257 -4.468 1.00 0.00 C ATOM 1365 C LEU A 91 93.675 5.345 -5.606 1.00 0.00 C ATOM 1366 O LEU A 91 92.931 4.389 -5.419 1.00 0.00 O ATOM 1367 CB LEU A 91 93.291 7.566 -4.550 1.00 0.00 C ATOM 1368 CG LEU A 91 93.493 8.365 -3.263 1.00 0.00 C ATOM 1369 CD1 LEU A 91 93.469 9.861 -3.579 1.00 0.00 C ATOM 1370 CD2 LEU A 91 92.370 8.037 -2.277 1.00 0.00 C ATOM 0 H LEU A 91 95.731 7.489 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 91 93.861 5.770 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.623 8.150 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.232 7.356 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 91 94.455 8.102 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 91 93.613 10.429 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 91 94.269 10.097 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 91 92.508 10.124 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 91 92.514 8.607 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 91 91.409 8.299 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 91 92.386 6.971 -2.049 1.00 0.00 H new ATOM 1382 N LYS A 92 94.179 5.643 -6.790 1.00 0.00 N ATOM 1383 CA LYS A 92 93.866 4.836 -7.941 1.00 0.00 C ATOM 1384 C LYS A 92 94.362 3.416 -7.724 1.00 0.00 C ATOM 1385 O LYS A 92 93.578 2.482 -7.748 1.00 0.00 O ATOM 1386 CB LYS A 92 94.508 5.426 -9.198 1.00 0.00 C ATOM 1387 CG LYS A 92 93.745 4.944 -10.433 1.00 0.00 C ATOM 1388 CD LYS A 92 94.601 5.164 -11.682 1.00 0.00 C ATOM 1389 CE LYS A 92 93.783 4.822 -12.930 1.00 0.00 C ATOM 1390 NZ LYS A 92 94.684 4.264 -13.978 1.00 0.00 N ATOM 0 H LYS A 92 94.800 6.431 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 92 92.784 4.823 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 92 94.493 6.515 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.553 5.124 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 92 93.497 3.887 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 92 92.803 5.485 -10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 92 94.937 6.200 -11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.494 4.541 -11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 92 93.006 4.099 -12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 92 93.281 5.714 -13.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 94.128 4.032 -14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 95.410 4.967 -14.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 95.143 3.403 -13.618 1.00 0.00 H new ATOM 1404 N LYS A 93 95.662 3.262 -7.489 1.00 0.00 N ATOM 1405 CA LYS A 93 96.230 1.937 -7.260 1.00 0.00 C ATOM 1406 C LYS A 93 95.619 1.292 -6.030 1.00 0.00 C ATOM 1407 O LYS A 93 95.314 0.106 -6.031 1.00 0.00 O ATOM 1408 CB LYS A 93 97.751 2.011 -7.100 1.00 0.00 C ATOM 1409 CG LYS A 93 98.350 0.613 -7.268 1.00 0.00 C ATOM 1410 CD LYS A 93 99.834 0.647 -6.901 1.00 0.00 C ATOM 1411 CE LYS A 93 100.443 -0.742 -7.098 1.00 0.00 C ATOM 1412 NZ LYS A 93 101.789 -0.790 -6.463 1.00 0.00 N ATOM 0 H LYS A 93 96.335 4.028 -7.452 1.00 0.00 H new ATOM 0 HA LYS A 93 95.998 1.326 -8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 93 98.173 2.690 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 93 98.005 2.412 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.823 -0.099 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 93 98.226 0.274 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 93 100.356 1.375 -7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 93 99.956 0.965 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 93 99.795 -1.500 -6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 93 100.523 -0.968 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 102.203 -1.735 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 102.405 -0.077 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 101.700 -0.592 -5.446 1.00 0.00 H new ATOM 1426 N ARG A 94 95.436 2.076 -4.987 1.00 0.00 N ATOM 1427 CA ARG A 94 94.847 1.545 -3.762 1.00 0.00 C ATOM 1428 C ARG A 94 93.400 1.149 -4.013 1.00 0.00 C ATOM 1429 O ARG A 94 93.018 0.001 -3.798 1.00 0.00 O ATOM 1430 CB ARG A 94 94.908 2.573 -2.629 1.00 0.00 C ATOM 1431 CG ARG A 94 94.273 1.978 -1.371 1.00 0.00 C ATOM 1432 CD ARG A 94 95.278 2.035 -0.221 1.00 0.00 C ATOM 1433 NE ARG A 94 96.540 1.427 -0.625 1.00 0.00 N ATOM 1434 CZ ARG A 94 97.681 1.752 -0.028 1.00 0.00 C ATOM 1435 NH1 ARG A 94 97.684 2.629 0.939 1.00 0.00 N ATOM 1436 NH2 ARG A 94 98.798 1.196 -0.406 1.00 0.00 N ATOM 0 H ARG A 94 95.680 3.066 -4.956 1.00 0.00 H new ATOM 0 HA ARG A 94 95.421 0.668 -3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 94 95.943 2.852 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.383 3.483 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 94 93.371 2.531 -1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 94 93.972 0.947 -1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 94 95.443 3.071 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 94 94.877 1.514 0.648 1.00 0.00 H new ATOM 0 HE ARG A 94 96.547 0.740 -1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 94 96.810 3.064 1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 94 98.560 2.879 1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 94 98.796 0.510 -1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 94 99.673 1.447 0.053 1.00 0.00 H new ATOM 1450 N LEU A 95 92.600 2.100 -4.481 1.00 0.00 N ATOM 1451 CA LEU A 95 91.199 1.821 -4.765 1.00 0.00 C ATOM 1452 C LEU A 95 91.090 0.827 -5.910 1.00 0.00 C ATOM 1453 O LEU A 95 90.206 -0.021 -5.917 1.00 0.00 O ATOM 1454 CB LEU A 95 90.457 3.111 -5.111 1.00 0.00 C ATOM 1455 CG LEU A 95 90.578 4.073 -3.929 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.139 5.479 -4.344 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.694 3.591 -2.771 1.00 0.00 C ATOM 0 H LEU A 95 92.893 3.059 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 95 90.741 1.388 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.879 3.561 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.409 2.900 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 95 91.620 4.100 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.230 6.154 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.772 5.833 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.101 5.453 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.785 4.281 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.655 3.552 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.013 2.597 -2.459 1.00 0.00 H new ATOM 1469 N GLN A 96 92.014 0.922 -6.864 1.00 0.00 N ATOM 1470 CA GLN A 96 92.017 -0.006 -7.998 1.00 0.00 C ATOM 1471 C GLN A 96 92.457 -1.377 -7.523 1.00 0.00 C ATOM 1472 O GLN A 96 91.758 -2.365 -7.712 1.00 0.00 O ATOM 1473 CB GLN A 96 92.952 0.459 -9.122 1.00 0.00 C ATOM 1474 CG GLN A 96 92.895 -0.547 -10.273 1.00 0.00 C ATOM 1475 CD GLN A 96 94.241 -1.248 -10.419 1.00 0.00 C ATOM 1476 OE1 GLN A 96 94.531 -2.252 -9.638 1.00 0.00 O flip ATOM 1477 NE2 GLN A 96 95.051 -0.870 -11.266 1.00 0.00 N flip ATOM 0 H GLN A 96 92.759 1.619 -6.878 1.00 0.00 H new ATOM 0 HA GLN A 96 91.004 -0.042 -8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.655 1.448 -9.472 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.973 0.546 -8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 96 92.111 -1.281 -10.087 1.00 0.00 H new ATOM 0 HG3 GLN A 96 92.639 -0.036 -11.201 1.00 0.00 H new ATOM 0 HE21 GLN A 96 94.822 -0.085 -11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 96 95.951 -1.342 -11.358 1.00 0.00 H new ATOM 1486 N LEU A 97 93.615 -1.415 -6.883 1.00 0.00 N ATOM 1487 CA LEU A 97 94.145 -2.661 -6.353 1.00 0.00 C ATOM 1488 C LEU A 97 93.188 -3.195 -5.302 1.00 0.00 C ATOM 1489 O LEU A 97 92.970 -4.397 -5.208 1.00 0.00 O ATOM 1490 CB LEU A 97 95.530 -2.443 -5.740 1.00 0.00 C ATOM 1491 CG LEU A 97 96.143 -3.792 -5.371 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.906 -4.353 -6.573 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.109 -3.608 -4.197 1.00 0.00 C ATOM 0 H LEU A 97 94.205 -0.599 -6.718 1.00 0.00 H new ATOM 0 HA LEU A 97 94.245 -3.382 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.174 -1.920 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.452 -1.813 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 97 95.351 -4.485 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 97 97.343 -5.316 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 97 96.221 -4.483 -7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.698 -3.660 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 97 97.547 -4.570 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.900 -2.915 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.568 -3.208 -3.340 1.00 0.00 H new ATOM 1505 N GLU A 98 92.595 -2.286 -4.535 1.00 0.00 N ATOM 1506 CA GLU A 98 91.629 -2.681 -3.522 1.00 0.00 C ATOM 1507 C GLU A 98 90.341 -3.090 -4.217 1.00 0.00 C ATOM 1508 O GLU A 98 89.735 -4.104 -3.879 1.00 0.00 O ATOM 1509 CB GLU A 98 91.349 -1.538 -2.547 1.00 0.00 C ATOM 1510 CG GLU A 98 90.326 -2.001 -1.509 1.00 0.00 C ATOM 1511 CD GLU A 98 88.950 -1.436 -1.845 1.00 0.00 C ATOM 1512 OE1 GLU A 98 88.390 -1.849 -2.847 1.00 0.00 O ATOM 1513 OE2 GLU A 98 88.477 -0.597 -1.096 1.00 0.00 O ATOM 0 H GLU A 98 92.765 -1.282 -4.596 1.00 0.00 H new ATOM 0 HA GLU A 98 92.036 -3.514 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 98 92.271 -1.231 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 98 90.971 -0.669 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 98 90.286 -3.090 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 98 90.630 -1.673 -0.515 1.00 0.00 H new ATOM 1520 N PHE A 99 89.945 -2.301 -5.217 1.00 0.00 N ATOM 1521 CA PHE A 99 88.743 -2.605 -5.982 1.00 0.00 C ATOM 1522 C PHE A 99 88.933 -3.926 -6.675 1.00 0.00 C ATOM 1523 O PHE A 99 88.020 -4.733 -6.751 1.00 0.00 O ATOM 1524 CB PHE A 99 88.479 -1.537 -7.040 1.00 0.00 C ATOM 1525 CG PHE A 99 87.443 -2.020 -8.032 1.00 0.00 C ATOM 1526 CD1 PHE A 99 87.802 -2.928 -9.039 1.00 0.00 C ATOM 1527 CD2 PHE A 99 86.128 -1.552 -7.952 1.00 0.00 C ATOM 1528 CE1 PHE A 99 86.844 -3.367 -9.960 1.00 0.00 C ATOM 1529 CE2 PHE A 99 85.169 -1.991 -8.873 1.00 0.00 C ATOM 1530 CZ PHE A 99 85.528 -2.900 -9.876 1.00 0.00 C ATOM 0 H PHE A 99 90.435 -1.456 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 99 87.896 -2.638 -5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.134 -0.620 -6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.406 -1.296 -7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 99 88.818 -3.288 -9.104 1.00 0.00 H new ATOM 0 HD2 PHE A 99 85.851 -0.851 -7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 99 87.121 -4.066 -10.735 1.00 0.00 H new ATOM 0 HE2 PHE A 99 84.153 -1.629 -8.810 1.00 0.00 H new ATOM 0 HZ PHE A 99 84.788 -3.241 -10.585 1.00 0.00 H new ATOM 1540 N THR A 100 90.135 -4.143 -7.186 1.00 0.00 N ATOM 1541 CA THR A 100 90.415 -5.395 -7.864 1.00 0.00 C ATOM 1542 C THR A 100 90.641 -6.482 -6.827 1.00 0.00 C ATOM 1543 O THR A 100 90.100 -7.579 -6.941 1.00 0.00 O ATOM 1544 CB THR A 100 91.616 -5.257 -8.809 1.00 0.00 C ATOM 1545 OG1 THR A 100 91.322 -5.917 -10.031 1.00 0.00 O ATOM 1546 CG2 THR A 100 92.879 -5.867 -8.195 1.00 0.00 C ATOM 0 H THR A 100 90.914 -3.485 -7.146 1.00 0.00 H new ATOM 0 HA THR A 100 89.560 -5.670 -8.482 1.00 0.00 H new ATOM 0 HB THR A 100 91.799 -4.197 -8.983 1.00 0.00 H new ATOM 0 HG1 THR A 100 91.661 -5.384 -10.780 1.00 0.00 H new ATOM 0 HG21 THR A 100 93.712 -5.753 -8.889 1.00 0.00 H new ATOM 0 HG22 THR A 100 93.112 -5.356 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 100 92.713 -6.926 -7.998 1.00 0.00 H new ATOM 1554 N GLN A 101 91.404 -6.170 -5.786 1.00 0.00 N ATOM 1555 CA GLN A 101 91.621 -7.161 -4.734 1.00 0.00 C ATOM 1556 C GLN A 101 90.289 -7.438 -4.055 1.00 0.00 C ATOM 1557 O GLN A 101 90.051 -8.526 -3.538 1.00 0.00 O ATOM 1558 CB GLN A 101 92.634 -6.679 -3.695 1.00 0.00 C ATOM 1559 CG GLN A 101 94.048 -6.781 -4.269 1.00 0.00 C ATOM 1560 CD GLN A 101 94.533 -8.226 -4.196 1.00 0.00 C ATOM 1561 OE1 GLN A 101 94.503 -8.942 -5.198 1.00 0.00 O ATOM 1562 NE2 GLN A 101 94.980 -8.698 -3.065 1.00 0.00 N ATOM 0 H GLN A 101 91.869 -5.273 -5.647 1.00 0.00 H new ATOM 0 HA GLN A 101 92.025 -8.066 -5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 101 92.419 -5.648 -3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.554 -7.280 -2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 101 94.056 -6.437 -5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 101 94.724 -6.132 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 101 95.003 -8.102 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 101 95.306 -9.663 -3.008 1.00 0.00 H new ATOM 1571 N ALA A 102 89.415 -6.437 -4.085 1.00 0.00 N ATOM 1572 CA ALA A 102 88.089 -6.573 -3.496 1.00 0.00 C ATOM 1573 C ALA A 102 87.138 -7.196 -4.504 1.00 0.00 C ATOM 1574 O ALA A 102 86.490 -8.202 -4.230 1.00 0.00 O ATOM 1575 CB ALA A 102 87.556 -5.207 -3.064 1.00 0.00 C ATOM 0 H ALA A 102 89.600 -5.528 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 102 88.161 -7.217 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.565 -5.325 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.229 -4.771 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.493 -4.550 -3.931 1.00 0.00 H new ATOM 1581 N GLU A 103 87.064 -6.572 -5.668 1.00 0.00 N ATOM 1582 CA GLU A 103 86.190 -7.038 -6.738 1.00 0.00 C ATOM 1583 C GLU A 103 86.781 -8.238 -7.470 1.00 0.00 C ATOM 1584 O GLU A 103 86.111 -9.254 -7.651 1.00 0.00 O ATOM 1585 CB GLU A 103 85.969 -5.908 -7.741 1.00 0.00 C ATOM 1586 CG GLU A 103 84.750 -6.221 -8.613 1.00 0.00 C ATOM 1587 CD GLU A 103 85.107 -6.055 -10.087 1.00 0.00 C ATOM 1588 OE1 GLU A 103 86.179 -6.494 -10.469 1.00 0.00 O ATOM 1589 OE2 GLU A 103 84.302 -5.492 -10.812 1.00 0.00 O ATOM 0 H GLU A 103 87.601 -5.736 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 103 85.246 -7.344 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.819 -4.966 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 103 86.853 -5.786 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.410 -7.239 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 103 83.926 -5.557 -8.353 1.00 0.00 H new ATOM 1596 N ARG A 104 88.024 -8.104 -7.917 1.00 0.00 N ATOM 1597 CA ARG A 104 88.665 -9.191 -8.664 1.00 0.00 C ATOM 1598 C ARG A 104 88.810 -10.456 -7.821 1.00 0.00 C ATOM 1599 O ARG A 104 88.755 -11.565 -8.351 1.00 0.00 O ATOM 1600 CB ARG A 104 90.042 -8.763 -9.177 1.00 0.00 C ATOM 1601 CG ARG A 104 90.286 -9.384 -10.554 1.00 0.00 C ATOM 1602 CD ARG A 104 91.777 -9.324 -10.886 1.00 0.00 C ATOM 1603 NE ARG A 104 91.973 -9.353 -12.330 1.00 0.00 N ATOM 1604 CZ ARG A 104 91.706 -8.290 -13.082 1.00 0.00 C ATOM 1605 NH1 ARG A 104 91.260 -7.195 -12.530 1.00 0.00 N ATOM 1606 NH2 ARG A 104 91.888 -8.342 -14.374 1.00 0.00 N ATOM 0 H ARG A 104 88.602 -7.274 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 104 88.015 -9.415 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.097 -7.676 -9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.817 -9.081 -8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 104 89.942 -10.418 -10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 104 89.712 -8.850 -11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 104 92.213 -8.415 -10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 104 92.294 -10.165 -10.425 1.00 0.00 H new ATOM 0 HE ARG A 104 92.321 -10.204 -12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 104 91.116 -7.155 -11.521 1.00 0.00 H new ATOM 0 HH12 ARG A 104 91.055 -6.380 -13.107 1.00 0.00 H new ATOM 0 HH21 ARG A 104 92.235 -9.198 -14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 104 91.683 -7.526 -14.951 1.00 0.00 H new ATOM 1620 N SER A 105 89.005 -10.296 -6.517 1.00 0.00 N ATOM 1621 CA SER A 105 89.164 -11.457 -5.646 1.00 0.00 C ATOM 1622 C SER A 105 87.812 -12.003 -5.201 1.00 0.00 C ATOM 1623 O SER A 105 87.558 -13.203 -5.309 1.00 0.00 O ATOM 1624 CB SER A 105 89.995 -11.091 -4.418 1.00 0.00 C ATOM 1625 OG SER A 105 90.642 -12.258 -3.926 1.00 0.00 O ATOM 0 H SER A 105 89.056 -9.393 -6.046 1.00 0.00 H new ATOM 0 HA SER A 105 89.680 -12.230 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.734 -10.333 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 105 89.356 -10.662 -3.646 1.00 0.00 H new ATOM 0 HG SER A 105 91.178 -12.028 -3.139 1.00 0.00 H new ATOM 1631 N ILE A 106 86.946 -11.129 -4.695 1.00 0.00 N ATOM 1632 CA ILE A 106 85.631 -11.575 -4.239 1.00 0.00 C ATOM 1633 C ILE A 106 84.874 -12.265 -5.368 1.00 0.00 C ATOM 1634 O ILE A 106 84.302 -13.339 -5.180 1.00 0.00 O ATOM 1635 CB ILE A 106 84.805 -10.395 -3.725 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.459 -9.825 -2.463 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.392 -10.875 -3.388 1.00 0.00 C ATOM 1638 CD1 ILE A 106 84.919 -10.558 -1.231 1.00 0.00 C ATOM 0 H ILE A 106 87.124 -10.130 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 106 85.786 -12.284 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 106 84.758 -9.622 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.542 -9.936 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.252 -8.758 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 106 82.801 -10.036 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 106 82.924 -11.285 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.443 -11.646 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.385 -10.152 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 106 83.839 -10.424 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 106 85.149 -11.621 -1.310 1.00 0.00 H new ATOM 1650 N GLU A 107 84.870 -11.641 -6.540 1.00 0.00 N ATOM 1651 CA GLU A 107 84.174 -12.203 -7.693 1.00 0.00 C ATOM 1652 C GLU A 107 84.877 -13.464 -8.189 1.00 0.00 C ATOM 1653 O GLU A 107 84.535 -14.000 -9.244 1.00 0.00 O ATOM 1654 CB GLU A 107 84.116 -11.172 -8.820 1.00 0.00 C ATOM 1655 CG GLU A 107 85.390 -11.262 -9.660 1.00 0.00 C ATOM 1656 CD GLU A 107 85.553 -9.998 -10.498 1.00 0.00 C ATOM 1657 OE1 GLU A 107 84.899 -9.016 -10.185 1.00 0.00 O ATOM 1658 OE2 GLU A 107 86.327 -10.030 -11.440 1.00 0.00 O ATOM 0 H GLU A 107 85.337 -10.752 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 107 83.162 -12.466 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 107 83.242 -11.351 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 107 84.011 -10.170 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 107 86.255 -11.391 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 107 85.346 -12.136 -10.310 1.00 0.00 H new ATOM 1665 N ARG A 108 85.858 -13.933 -7.425 1.00 0.00 N ATOM 1666 CA ARG A 108 86.599 -15.132 -7.803 1.00 0.00 C ATOM 1667 C ARG A 108 87.218 -14.965 -9.186 1.00 0.00 C ATOM 1668 O ARG A 108 86.636 -15.372 -10.191 1.00 0.00 O ATOM 1669 CB ARG A 108 85.664 -16.344 -7.804 1.00 0.00 C ATOM 1670 CG ARG A 108 85.448 -16.827 -6.369 1.00 0.00 C ATOM 1671 CD ARG A 108 83.970 -17.157 -6.160 1.00 0.00 C ATOM 1672 NE ARG A 108 83.527 -18.139 -7.144 1.00 0.00 N ATOM 1673 CZ ARG A 108 82.265 -18.555 -7.179 1.00 0.00 C ATOM 1674 NH1 ARG A 108 81.398 -18.084 -6.324 1.00 0.00 N ATOM 1675 NH2 ARG A 108 81.892 -19.434 -8.068 1.00 0.00 N ATOM 0 H ARG A 108 86.157 -13.506 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 108 87.397 -15.288 -7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 108 84.709 -16.079 -8.257 1.00 0.00 H new ATOM 0 HB3 ARG A 108 86.091 -17.145 -8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 108 86.059 -17.708 -6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 108 85.763 -16.058 -5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 108 83.816 -17.546 -5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 108 83.372 -16.250 -6.247 1.00 0.00 H new ATOM 0 HE ARG A 108 84.197 -18.513 -7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 108 81.689 -17.397 -5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 108 80.430 -18.403 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 108 82.569 -19.802 -8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 108 80.924 -19.753 -8.095 1.00 0.00 H new ATOM 1689 N GLY A 109 88.403 -14.364 -9.230 1.00 0.00 N ATOM 1690 CA GLY A 109 89.093 -14.148 -10.497 1.00 0.00 C ATOM 1691 C GLY A 109 90.529 -14.657 -10.430 1.00 0.00 C ATOM 1692 O GLY A 109 91.315 -14.449 -11.355 1.00 0.00 O ATOM 0 H GLY A 109 88.902 -14.020 -8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 109 88.559 -14.659 -11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 109 89.091 -13.085 -10.740 1.00 0.00 H new ATOM 1696 N VAL A 110 90.867 -15.324 -9.331 1.00 0.00 N ATOM 1697 CA VAL A 110 92.213 -15.856 -9.158 1.00 0.00 C ATOM 1698 C VAL A 110 92.311 -17.266 -9.733 1.00 0.00 C ATOM 1699 O VAL A 110 93.421 -17.707 -9.982 1.00 0.00 O ATOM 1700 CB VAL A 110 92.577 -15.881 -7.673 1.00 0.00 C ATOM 1701 CG1 VAL A 110 92.886 -14.460 -7.200 1.00 0.00 C ATOM 1702 CG2 VAL A 110 91.402 -16.439 -6.869 1.00 0.00 C ATOM 1703 OXT VAL A 110 91.276 -17.884 -9.917 1.00 0.00 O ATOM 0 H VAL A 110 90.233 -15.508 -8.553 1.00 0.00 H new ATOM 0 HA VAL A 110 92.910 -15.210 -9.692 1.00 0.00 H new ATOM 0 HB VAL A 110 93.453 -16.513 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 110 93.146 -14.477 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.723 -14.060 -7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 110 92.010 -13.829 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 110 91.661 -16.457 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.527 -15.807 -7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.179 -17.452 -7.205 1.00 0.00 H new TER 1713 VAL A 110