USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 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 46 ASN : amide:sc= -3.22! C(o=-3.2!,f=-4!) USER MOD Set 1.2: A 50 ASN : amide:sc= 0 X(o=-3.2,f=-3.2) USER MOD Set 2.1: A 25 GLN : amide:sc= -2.48 K(o=-5.5,f=-7.3) USER MOD Set 2.2: A 37 MET CE :methyl 149:sc= -3.06 (180deg=-1.34) USER MOD Set 3.1: A 7 ASN : amide:sc= -0.418 X(o=-0.41,f=0) USER MOD Set 3.2: A 57 THR OG1 : rot 21:sc= 0.0124 USER MOD Single : A 5 LYS NZ :NH3+ 152:sc= -1.64 (180deg=-3.31!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 170:sc= -1.24 USER MOD Single : A 23 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.26 F(o=-2.3,f=-1.3) USER MOD Single : A 28 ASN : amide:sc= -0.602 K(o=-0.6,f=-2.9) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -117:sc= -0.912 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 137:sc= -3.11! USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 55 GLN : amide:sc= -10.9! C(o=-11!,f=-19!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.989 F(o=-1.6,f=-0.99) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.23) USER MOD Single : A 76 THR OG1 : rot -91:sc= 1.23 USER MOD Single : A 79 ASN : amide:sc= 0.4 X(o=0.4,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 30:sc= -0.828 USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= 1.25 (180deg=0.394) USER MOD Single : A 91 SER OG : rot -46:sc= 0.0516 USER MOD Single : A 92 HIS : no HD1:sc= -7.35! C(o=-7.3!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 4.241 29.039 -0.960 1.00 0.00 N ATOM 2 CA LEU A 3 5.489 29.219 -1.751 1.00 0.00 C ATOM 3 C LEU A 3 6.723 28.872 -0.923 1.00 0.00 C ATOM 4 O LEU A 3 7.647 29.677 -0.796 1.00 0.00 O ATOM 5 CB LEU A 3 5.564 30.673 -2.231 1.00 0.00 C ATOM 6 CG LEU A 3 5.001 30.931 -3.632 1.00 0.00 C ATOM 7 CD1 LEU A 3 5.584 29.946 -4.636 1.00 0.00 C ATOM 8 CD2 LEU A 3 3.481 30.853 -3.622 1.00 0.00 C ATOM 0 HA LEU A 3 5.467 28.544 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.026 31.301 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.606 30.991 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 3 5.289 31.937 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.171 30.147 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.668 30.056 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.331 28.929 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.101 31.039 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.170 29.861 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.083 31.603 -2.938 1.00 0.00 H new ATOM 22 N LEU A 4 6.735 27.667 -0.361 1.00 0.00 N ATOM 23 CA LEU A 4 7.857 27.218 0.455 1.00 0.00 C ATOM 24 C LEU A 4 8.126 25.731 0.246 1.00 0.00 C ATOM 25 O LEU A 4 7.198 24.936 0.095 1.00 0.00 O ATOM 26 CB LEU A 4 7.582 27.488 1.936 1.00 0.00 C ATOM 27 CG LEU A 4 7.167 28.924 2.272 1.00 0.00 C ATOM 28 CD1 LEU A 4 5.693 28.982 2.645 1.00 0.00 C ATOM 29 CD2 LEU A 4 8.025 29.479 3.400 1.00 0.00 C ATOM 0 H LEU A 4 5.982 26.986 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 4 8.739 27.778 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.796 26.812 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.478 27.243 2.506 1.00 0.00 H new ATOM 0 HG LEU A 4 7.322 29.541 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.417 30.010 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.092 28.628 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.513 28.350 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.715 30.500 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.903 28.859 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.072 29.476 3.096 1.00 0.00 H new ATOM 41 N LYS A 5 9.403 25.357 0.252 1.00 0.00 N ATOM 42 CA LYS A 5 9.794 23.962 0.077 1.00 0.00 C ATOM 43 C LYS A 5 9.198 23.091 1.181 1.00 0.00 C ATOM 44 O LYS A 5 9.093 21.876 1.038 1.00 0.00 O ATOM 45 CB LYS A 5 11.318 23.834 0.076 1.00 0.00 C ATOM 46 CG LYS A 5 11.834 22.724 -0.826 1.00 0.00 C ATOM 47 CD LYS A 5 12.686 23.272 -1.959 1.00 0.00 C ATOM 48 CE LYS A 5 11.837 23.988 -2.997 1.00 0.00 C ATOM 49 NZ LYS A 5 11.402 25.332 -2.527 1.00 0.00 N ATOM 0 H LYS A 5 10.184 26.001 0.376 1.00 0.00 H new ATOM 0 HA LYS A 5 9.408 23.618 -0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.754 24.781 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.660 23.652 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.421 22.019 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.992 22.169 -1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.429 23.961 -1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.231 22.456 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.405 24.093 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.960 23.383 -3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.261 25.957 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.509 25.244 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.132 25.735 -1.905 1.00 0.00 H new ATOM 63 N ALA A 6 8.812 23.729 2.281 1.00 0.00 N ATOM 64 CA ALA A 6 8.225 23.019 3.412 1.00 0.00 C ATOM 65 C ALA A 6 6.982 22.247 2.984 1.00 0.00 C ATOM 66 O ALA A 6 6.814 21.077 3.334 1.00 0.00 O ATOM 67 CB ALA A 6 7.894 23.991 4.535 1.00 0.00 C ATOM 0 H ALA A 6 8.895 24.737 2.413 1.00 0.00 H new ATOM 0 HA ALA A 6 8.957 22.300 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.457 23.445 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.805 24.491 4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.183 24.734 4.175 1.00 0.00 H new ATOM 73 N ASN A 7 6.121 22.901 2.213 1.00 0.00 N ATOM 74 CA ASN A 7 4.903 22.264 1.728 1.00 0.00 C ATOM 75 C ASN A 7 5.246 21.102 0.804 1.00 0.00 C ATOM 76 O ASN A 7 4.824 19.966 1.031 1.00 0.00 O ATOM 77 CB ASN A 7 4.027 23.281 0.993 1.00 0.00 C ATOM 78 CG ASN A 7 2.778 23.640 1.775 1.00 0.00 C ATOM 79 OD1 ASN A 7 2.806 24.508 2.647 1.00 0.00 O ATOM 80 ND2 ASN A 7 1.674 22.970 1.465 1.00 0.00 N ATOM 0 H ASN A 7 6.243 23.868 1.911 1.00 0.00 H new ATOM 0 HA ASN A 7 4.349 21.879 2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.606 24.185 0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.741 22.876 0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.803 23.167 1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.697 22.258 0.735 1.00 0.00 H new ATOM 87 N LYS A 8 6.022 21.393 -0.235 1.00 0.00 N ATOM 88 CA LYS A 8 6.430 20.377 -1.195 1.00 0.00 C ATOM 89 C LYS A 8 7.191 19.250 -0.504 1.00 0.00 C ATOM 90 O LYS A 8 7.176 18.110 -0.961 1.00 0.00 O ATOM 91 CB LYS A 8 7.297 21.002 -2.290 1.00 0.00 C ATOM 92 CG LYS A 8 7.766 20.006 -3.339 1.00 0.00 C ATOM 93 CD LYS A 8 9.267 19.775 -3.260 1.00 0.00 C ATOM 94 CE LYS A 8 9.598 18.537 -2.442 1.00 0.00 C ATOM 95 NZ LYS A 8 10.999 18.083 -2.661 1.00 0.00 N ATOM 0 H LYS A 8 6.381 22.327 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 8 5.532 19.957 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.732 21.795 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.168 21.469 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.244 19.059 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.505 20.373 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.673 19.667 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.747 20.646 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.447 18.750 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.911 17.733 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.184 17.237 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.137 17.855 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.656 18.840 -2.385 1.00 0.00 H new ATOM 109 N ASP A 9 7.856 19.572 0.602 1.00 0.00 N ATOM 110 CA ASP A 9 8.610 18.570 1.339 1.00 0.00 C ATOM 111 C ASP A 9 7.658 17.613 2.035 1.00 0.00 C ATOM 112 O ASP A 9 7.876 16.402 2.046 1.00 0.00 O ATOM 113 CB ASP A 9 9.539 19.233 2.358 1.00 0.00 C ATOM 114 CG ASP A 9 10.569 18.269 2.916 1.00 0.00 C ATOM 115 OD1 ASP A 9 10.182 17.146 3.303 1.00 0.00 O ATOM 116 OD2 ASP A 9 11.760 18.637 2.965 1.00 0.00 O ATOM 0 H ASP A 9 7.887 20.510 1.002 1.00 0.00 H new ATOM 0 HA ASP A 9 9.224 18.009 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.049 20.073 1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.945 19.639 3.177 1.00 0.00 H new ATOM 121 N LEU A 10 6.589 18.161 2.601 1.00 0.00 N ATOM 122 CA LEU A 10 5.597 17.343 3.278 1.00 0.00 C ATOM 123 C LEU A 10 4.958 16.378 2.291 1.00 0.00 C ATOM 124 O LEU A 10 4.825 15.184 2.572 1.00 0.00 O ATOM 125 CB LEU A 10 4.521 18.216 3.926 1.00 0.00 C ATOM 126 CG LEU A 10 3.404 17.445 4.631 1.00 0.00 C ATOM 127 CD1 LEU A 10 3.772 17.183 6.084 1.00 0.00 C ATOM 128 CD2 LEU A 10 2.092 18.208 4.538 1.00 0.00 C ATOM 0 H LEU A 10 6.390 19.161 2.604 1.00 0.00 H new ATOM 0 HA LEU A 10 6.098 16.776 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.998 18.878 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.077 18.849 3.158 1.00 0.00 H new ATOM 0 HG LEU A 10 3.278 16.484 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.966 16.634 6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.689 16.595 6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.925 18.132 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.307 17.646 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.204 19.183 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.823 18.343 3.490 1.00 0.00 H new ATOM 140 N ILE A 11 4.580 16.891 1.121 1.00 0.00 N ATOM 141 CA ILE A 11 3.976 16.045 0.105 1.00 0.00 C ATOM 142 C ILE A 11 4.976 14.982 -0.342 1.00 0.00 C ATOM 143 O ILE A 11 4.674 13.791 -0.303 1.00 0.00 O ATOM 144 CB ILE A 11 3.440 16.867 -1.101 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.168 16.219 -1.650 1.00 0.00 C ATOM 146 CG2 ILE A 11 4.477 17.016 -2.210 1.00 0.00 C ATOM 147 CD1 ILE A 11 2.398 14.846 -2.242 1.00 0.00 C ATOM 0 H ILE A 11 4.681 17.872 0.860 1.00 0.00 H new ATOM 0 HA ILE A 11 3.110 15.551 0.546 1.00 0.00 H new ATOM 0 HB ILE A 11 3.214 17.869 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.434 16.142 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.739 16.868 -2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.053 17.598 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.357 17.527 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.763 16.030 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.454 14.446 -2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.108 14.919 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.798 14.182 -1.476 1.00 0.00 H new ATOM 159 N SER A 12 6.173 15.406 -0.758 1.00 0.00 N ATOM 160 CA SER A 12 7.198 14.468 -1.194 1.00 0.00 C ATOM 161 C SER A 12 7.483 13.447 -0.102 1.00 0.00 C ATOM 162 O SER A 12 7.808 12.302 -0.382 1.00 0.00 O ATOM 163 CB SER A 12 8.483 15.211 -1.566 1.00 0.00 C ATOM 164 OG SER A 12 8.803 15.020 -2.934 1.00 0.00 O ATOM 0 H SER A 12 6.450 16.387 -0.800 1.00 0.00 H new ATOM 0 HA SER A 12 6.830 13.945 -2.076 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.364 16.275 -1.362 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.305 14.857 -0.944 1.00 0.00 H new ATOM 0 HG SER A 12 9.627 15.506 -3.148 1.00 0.00 H new ATOM 170 N ALA A 13 7.372 13.881 1.147 1.00 0.00 N ATOM 171 CA ALA A 13 7.626 12.994 2.273 1.00 0.00 C ATOM 172 C ALA A 13 6.582 11.888 2.329 1.00 0.00 C ATOM 173 O ALA A 13 6.914 10.722 2.534 1.00 0.00 O ATOM 174 CB ALA A 13 7.672 13.772 3.579 1.00 0.00 C ATOM 0 H ALA A 13 7.110 14.833 1.404 1.00 0.00 H new ATOM 0 HA ALA A 13 8.602 12.531 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.863 13.086 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.469 14.515 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.717 14.274 3.738 1.00 0.00 H new ATOM 180 N GLY A 14 5.328 12.247 2.088 1.00 0.00 N ATOM 181 CA GLY A 14 4.279 11.246 2.060 1.00 0.00 C ATOM 182 C GLY A 14 4.454 10.373 0.842 1.00 0.00 C ATOM 183 O GLY A 14 4.338 9.149 0.896 1.00 0.00 O ATOM 0 H GLY A 14 5.020 13.203 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.316 10.639 2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.301 11.728 2.039 1.00 0.00 H new ATOM 187 N LEU A 15 4.765 11.044 -0.258 1.00 0.00 N ATOM 188 CA LEU A 15 5.000 10.378 -1.526 1.00 0.00 C ATOM 189 C LEU A 15 6.071 9.312 -1.344 1.00 0.00 C ATOM 190 O LEU A 15 5.832 8.133 -1.583 1.00 0.00 O ATOM 191 CB LEU A 15 5.417 11.382 -2.596 1.00 0.00 C ATOM 192 CG LEU A 15 4.337 11.721 -3.625 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.800 12.856 -4.526 1.00 0.00 C ATOM 194 CD2 LEU A 15 3.982 10.493 -4.450 1.00 0.00 C ATOM 0 H LEU A 15 4.860 12.059 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 15 4.075 9.905 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.731 12.303 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.287 10.989 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 15 3.443 12.046 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.020 13.085 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.004 13.740 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.708 12.557 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.212 10.753 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.870 10.137 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.609 9.708 -3.792 1.00 0.00 H new ATOM 206 N LYS A 16 7.250 9.740 -0.918 1.00 0.00 N ATOM 207 CA LYS A 16 8.363 8.829 -0.694 1.00 0.00 C ATOM 208 C LYS A 16 7.999 7.778 0.349 1.00 0.00 C ATOM 209 O LYS A 16 8.497 6.654 0.314 1.00 0.00 O ATOM 210 CB LYS A 16 9.609 9.617 -0.262 1.00 0.00 C ATOM 211 CG LYS A 16 9.671 9.930 1.227 1.00 0.00 C ATOM 212 CD LYS A 16 10.690 9.060 1.944 1.00 0.00 C ATOM 213 CE LYS A 16 10.932 9.546 3.364 1.00 0.00 C ATOM 214 NZ LYS A 16 12.328 9.287 3.813 1.00 0.00 N ATOM 0 H LYS A 16 7.461 10.718 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 16 8.584 8.312 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.497 9.049 -0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.643 10.553 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.927 10.980 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.687 9.779 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.339 8.028 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.629 9.066 1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.725 10.615 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.236 9.050 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.450 9.634 4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.518 8.265 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.992 9.781 3.184 1.00 0.00 H new ATOM 228 N GLU A 17 7.119 8.152 1.268 1.00 0.00 N ATOM 229 CA GLU A 17 6.682 7.235 2.310 1.00 0.00 C ATOM 230 C GLU A 17 5.844 6.117 1.708 1.00 0.00 C ATOM 231 O GLU A 17 6.035 4.943 2.025 1.00 0.00 O ATOM 232 CB GLU A 17 5.879 7.974 3.383 1.00 0.00 C ATOM 233 CG GLU A 17 5.729 7.188 4.677 1.00 0.00 C ATOM 234 CD GLU A 17 5.681 8.083 5.901 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.592 8.617 6.204 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.730 8.251 6.555 1.00 0.00 O ATOM 0 H GLU A 17 6.696 9.079 1.313 1.00 0.00 H new ATOM 0 HA GLU A 17 7.567 6.804 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.366 8.925 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.889 8.205 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.818 6.591 4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.562 6.491 4.773 1.00 0.00 H new ATOM 243 N PHE A 18 4.914 6.491 0.838 1.00 0.00 N ATOM 244 CA PHE A 18 4.043 5.516 0.194 1.00 0.00 C ATOM 245 C PHE A 18 4.794 4.734 -0.878 1.00 0.00 C ATOM 246 O PHE A 18 4.735 3.508 -0.913 1.00 0.00 O ATOM 247 CB PHE A 18 2.820 6.213 -0.415 1.00 0.00 C ATOM 248 CG PHE A 18 1.556 5.381 -0.429 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.364 4.329 0.461 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.551 5.663 -1.343 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.201 3.582 0.435 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.613 4.918 -1.371 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.787 3.877 -0.482 1.00 0.00 C ATOM 0 H PHE A 18 4.744 7.458 0.563 1.00 0.00 H new ATOM 0 HA PHE A 18 3.705 4.811 0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.628 7.130 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.058 6.504 -1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.133 4.093 1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.680 6.476 -2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.066 2.768 1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.386 5.151 -2.088 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.696 3.294 -0.504 1.00 0.00 H new ATOM 263 N SER A 19 5.512 5.441 -1.747 1.00 0.00 N ATOM 264 CA SER A 19 6.273 4.788 -2.805 1.00 0.00 C ATOM 265 C SER A 19 7.231 3.763 -2.213 1.00 0.00 C ATOM 266 O SER A 19 7.272 2.610 -2.643 1.00 0.00 O ATOM 267 CB SER A 19 7.052 5.821 -3.621 1.00 0.00 C ATOM 268 OG SER A 19 7.940 6.556 -2.798 1.00 0.00 O ATOM 0 H SER A 19 5.582 6.459 -1.739 1.00 0.00 H new ATOM 0 HA SER A 19 5.573 4.276 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.613 5.319 -4.409 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.356 6.503 -4.110 1.00 0.00 H new ATOM 0 HG SER A 19 8.538 7.093 -3.359 1.00 0.00 H new ATOM 274 N VAL A 20 7.989 4.192 -1.212 1.00 0.00 N ATOM 275 CA VAL A 20 8.937 3.314 -0.548 1.00 0.00 C ATOM 276 C VAL A 20 8.204 2.235 0.241 1.00 0.00 C ATOM 277 O VAL A 20 8.682 1.112 0.357 1.00 0.00 O ATOM 278 CB VAL A 20 9.870 4.101 0.397 1.00 0.00 C ATOM 279 CG1 VAL A 20 10.825 3.164 1.124 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.642 5.158 -0.378 1.00 0.00 C ATOM 0 H VAL A 20 7.964 5.143 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 20 9.546 2.846 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 20 9.254 4.601 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.471 3.743 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.253 2.448 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.435 2.629 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.295 5.704 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.243 4.677 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.942 5.852 -0.843 1.00 0.00 H new ATOM 290 N LEU A 21 7.036 2.581 0.778 1.00 0.00 N ATOM 291 CA LEU A 21 6.244 1.628 1.549 1.00 0.00 C ATOM 292 C LEU A 21 5.790 0.466 0.669 1.00 0.00 C ATOM 293 O LEU A 21 5.895 -0.696 1.057 1.00 0.00 O ATOM 294 CB LEU A 21 5.031 2.328 2.168 1.00 0.00 C ATOM 295 CG LEU A 21 4.003 1.406 2.832 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.325 1.221 4.307 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.599 1.966 2.658 1.00 0.00 C ATOM 0 H LEU A 21 6.620 3.508 0.694 1.00 0.00 H new ATOM 0 HA LEU A 21 6.868 1.230 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.386 3.042 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.529 2.902 1.389 1.00 0.00 H new ATOM 0 HG LEU A 21 4.049 0.431 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.584 0.563 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.316 0.778 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.306 2.189 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.880 1.300 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.541 2.952 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.369 2.047 1.596 1.00 0.00 H new ATOM 309 N LEU A 22 5.290 0.787 -0.521 1.00 0.00 N ATOM 310 CA LEU A 22 4.830 -0.239 -1.451 1.00 0.00 C ATOM 311 C LEU A 22 6.012 -1.046 -1.970 1.00 0.00 C ATOM 312 O LEU A 22 5.911 -2.254 -2.177 1.00 0.00 O ATOM 313 CB LEU A 22 4.064 0.383 -2.623 1.00 0.00 C ATOM 314 CG LEU A 22 3.048 1.459 -2.238 1.00 0.00 C ATOM 315 CD1 LEU A 22 2.828 2.426 -3.391 1.00 0.00 C ATOM 316 CD2 LEU A 22 1.735 0.824 -1.814 1.00 0.00 C ATOM 0 H LEU A 22 5.193 1.743 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 22 4.152 -0.903 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.784 0.817 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.543 -0.411 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 22 3.446 2.021 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.102 3.184 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.772 2.908 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.453 1.880 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.024 1.605 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.332 0.236 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.905 0.175 -0.955 1.00 0.00 H new ATOM 328 N ASN A 23 7.134 -0.366 -2.179 1.00 0.00 N ATOM 329 CA ASN A 23 8.340 -1.016 -2.673 1.00 0.00 C ATOM 330 C ASN A 23 9.119 -1.687 -1.541 1.00 0.00 C ATOM 331 O ASN A 23 9.978 -2.534 -1.791 1.00 0.00 O ATOM 332 CB ASN A 23 9.233 -0.003 -3.390 1.00 0.00 C ATOM 333 CG ASN A 23 8.890 0.126 -4.860 1.00 0.00 C ATOM 334 OD1 ASN A 23 9.139 -0.786 -5.649 1.00 0.00 O ATOM 335 ND2 ASN A 23 8.312 1.261 -5.237 1.00 0.00 N ATOM 0 H ASN A 23 7.232 0.636 -2.014 1.00 0.00 H new ATOM 0 HA ASN A 23 8.034 -1.789 -3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.134 0.970 -2.909 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.276 -0.304 -3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.056 1.403 -6.214 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.124 1.991 -4.549 1.00 0.00 H new ATOM 342 N GLN A 24 8.830 -1.302 -0.299 1.00 0.00 N ATOM 343 CA GLN A 24 9.524 -1.873 0.851 1.00 0.00 C ATOM 344 C GLN A 24 8.607 -2.752 1.696 1.00 0.00 C ATOM 345 O GLN A 24 8.965 -3.127 2.813 1.00 0.00 O ATOM 346 CB GLN A 24 10.138 -0.771 1.719 1.00 0.00 C ATOM 347 CG GLN A 24 11.275 -0.026 1.036 1.00 0.00 C ATOM 348 CD GLN A 24 12.283 0.536 2.020 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.789 1.165 3.079 1.00 0.00 O flip ATOM 350 NE2 GLN A 24 13.492 0.407 1.829 1.00 0.00 N flip ATOM 0 H GLN A 24 8.125 -0.602 -0.066 1.00 0.00 H new ATOM 0 HA GLN A 24 10.321 -2.504 0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.360 -0.059 1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.507 -1.212 2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.783 -0.701 0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.863 0.788 0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.828 -0.084 1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.158 0.791 2.499 1.00 0.00 H new ATOM 359 N GLN A 25 7.444 -3.118 1.151 1.00 0.00 N ATOM 360 CA GLN A 25 6.526 -4.001 1.872 1.00 0.00 C ATOM 361 C GLN A 25 7.335 -5.197 2.369 1.00 0.00 C ATOM 362 O GLN A 25 8.439 -5.422 1.873 1.00 0.00 O ATOM 363 CB GLN A 25 5.387 -4.464 0.957 1.00 0.00 C ATOM 364 CG GLN A 25 4.005 -4.106 1.478 1.00 0.00 C ATOM 365 CD GLN A 25 3.733 -4.678 2.856 1.00 0.00 C ATOM 366 OE1 GLN A 25 3.701 -5.894 3.042 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.534 -3.799 3.832 1.00 0.00 N ATOM 0 H GLN A 25 7.120 -2.823 0.230 1.00 0.00 H new ATOM 0 HA GLN A 25 6.072 -3.472 2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.521 -4.020 -0.029 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.450 -5.545 0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.904 -3.021 1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.252 -4.474 0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.570 -2.799 3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.346 -4.124 4.780 1.00 0.00 H new ATOM 376 N VAL A 26 6.839 -5.968 3.331 1.00 0.00 N ATOM 377 CA VAL A 26 7.608 -7.105 3.817 1.00 0.00 C ATOM 378 C VAL A 26 6.996 -8.421 3.366 1.00 0.00 C ATOM 379 O VAL A 26 5.793 -8.642 3.505 1.00 0.00 O ATOM 380 CB VAL A 26 7.706 -7.100 5.354 1.00 0.00 C ATOM 381 CG1 VAL A 26 8.676 -8.168 5.832 1.00 0.00 C ATOM 382 CG2 VAL A 26 8.126 -5.728 5.859 1.00 0.00 C ATOM 0 H VAL A 26 5.933 -5.832 3.779 1.00 0.00 H new ATOM 0 HA VAL A 26 8.608 -7.011 3.393 1.00 0.00 H new ATOM 0 HB VAL A 26 6.721 -7.327 5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.731 -8.148 6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.329 -9.148 5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.664 -7.975 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.190 -5.745 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.099 -5.469 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.390 -4.986 5.550 1.00 0.00 H new ATOM 392 N PHE A 27 7.838 -9.295 2.834 1.00 0.00 N ATOM 393 CA PHE A 27 7.396 -10.599 2.370 1.00 0.00 C ATOM 394 C PHE A 27 7.842 -11.674 3.345 1.00 0.00 C ATOM 395 O PHE A 27 9.022 -11.796 3.669 1.00 0.00 O ATOM 396 CB PHE A 27 7.916 -10.855 0.954 1.00 0.00 C ATOM 397 CG PHE A 27 7.592 -9.729 0.003 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.392 -8.596 -0.055 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.479 -9.801 -0.824 1.00 0.00 C ATOM 400 CE1 PHE A 27 8.087 -7.560 -0.919 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.173 -8.766 -1.689 1.00 0.00 C ATOM 402 CZ PHE A 27 6.977 -7.646 -1.736 1.00 0.00 C ATOM 0 H PHE A 27 8.836 -9.122 2.713 1.00 0.00 H new ATOM 0 HA PHE A 27 6.307 -10.625 2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.996 -10.997 0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.484 -11.781 0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.262 -8.523 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.845 -10.675 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.717 -6.684 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.305 -8.835 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.739 -6.837 -2.411 1.00 0.00 H new ATOM 412 N ASN A 28 6.869 -12.439 3.814 1.00 0.00 N ATOM 413 CA ASN A 28 7.132 -13.501 4.767 1.00 0.00 C ATOM 414 C ASN A 28 6.151 -14.651 4.613 1.00 0.00 C ATOM 415 O ASN A 28 4.987 -14.455 4.278 1.00 0.00 O ATOM 416 CB ASN A 28 7.078 -12.955 6.196 1.00 0.00 C ATOM 417 CG ASN A 28 8.438 -12.503 6.693 1.00 0.00 C ATOM 418 OD1 ASN A 28 8.993 -11.517 6.209 1.00 0.00 O ATOM 419 ND2 ASN A 28 8.982 -13.224 7.666 1.00 0.00 N ATOM 0 H ASN A 28 5.889 -12.343 3.549 1.00 0.00 H new ATOM 0 HA ASN A 28 8.131 -13.886 4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.382 -12.117 6.236 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.688 -13.725 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.895 -12.968 8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.487 -14.034 8.038 1.00 0.00 H new ATOM 426 N ASP A 29 6.637 -15.848 4.881 1.00 0.00 N ATOM 427 CA ASP A 29 5.817 -17.053 4.800 1.00 0.00 C ATOM 428 C ASP A 29 5.697 -17.707 6.179 1.00 0.00 C ATOM 429 O ASP A 29 6.702 -18.127 6.755 1.00 0.00 O ATOM 430 CB ASP A 29 6.416 -18.047 3.802 1.00 0.00 C ATOM 431 CG ASP A 29 6.950 -17.369 2.555 1.00 0.00 C ATOM 432 OD1 ASP A 29 7.883 -16.548 2.679 1.00 0.00 O ATOM 433 OD2 ASP A 29 6.435 -17.659 1.455 1.00 0.00 O ATOM 0 H ASP A 29 7.603 -16.018 5.159 1.00 0.00 H new ATOM 0 HA ASP A 29 4.823 -16.768 4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.222 -18.600 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.656 -18.775 3.518 1.00 0.00 H new ATOM 438 N PRO A 30 4.473 -17.802 6.743 1.00 0.00 N ATOM 439 CA PRO A 30 3.237 -17.319 6.107 1.00 0.00 C ATOM 440 C PRO A 30 3.241 -15.813 5.878 1.00 0.00 C ATOM 441 O PRO A 30 4.065 -15.090 6.439 1.00 0.00 O ATOM 442 CB PRO A 30 2.138 -17.701 7.106 1.00 0.00 C ATOM 443 CG PRO A 30 2.845 -17.878 8.405 1.00 0.00 C ATOM 444 CD PRO A 30 4.208 -18.403 8.059 1.00 0.00 C ATOM 0 HA PRO A 30 3.103 -17.755 5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.377 -16.923 7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.631 -18.617 6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.915 -16.933 8.944 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.310 -18.575 9.050 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.954 -18.105 8.796 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.221 -19.492 8.015 1.00 0.00 H new ATOM 452 N LEU A 31 2.307 -15.349 5.054 1.00 0.00 N ATOM 453 CA LEU A 31 2.190 -13.926 4.746 1.00 0.00 C ATOM 454 C LEU A 31 0.776 -13.426 5.004 1.00 0.00 C ATOM 455 O LEU A 31 -0.154 -14.213 5.179 1.00 0.00 O ATOM 456 CB LEU A 31 2.568 -13.653 3.289 1.00 0.00 C ATOM 457 CG LEU A 31 2.296 -14.808 2.336 1.00 0.00 C ATOM 458 CD1 LEU A 31 2.026 -14.290 0.933 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.456 -15.789 2.333 1.00 0.00 C ATOM 0 H LEU A 31 1.618 -15.938 4.586 1.00 0.00 H new ATOM 0 HA LEU A 31 2.879 -13.392 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.019 -12.777 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.628 -13.404 3.243 1.00 0.00 H new ATOM 0 HG LEU A 31 1.408 -15.336 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.834 -15.130 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.157 -13.633 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.894 -13.735 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.240 -16.606 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.364 -15.277 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.597 -16.188 3.337 1.00 0.00 H new ATOM 471 N VAL A 32 0.623 -12.109 5.015 1.00 0.00 N ATOM 472 CA VAL A 32 -0.675 -11.490 5.238 1.00 0.00 C ATOM 473 C VAL A 32 -1.582 -11.717 4.030 1.00 0.00 C ATOM 474 O VAL A 32 -1.114 -11.741 2.892 1.00 0.00 O ATOM 475 CB VAL A 32 -0.527 -9.980 5.504 1.00 0.00 C ATOM 476 CG1 VAL A 32 0.169 -9.294 4.340 1.00 0.00 C ATOM 477 CG2 VAL A 32 -1.879 -9.345 5.773 1.00 0.00 C ATOM 0 H VAL A 32 1.385 -11.447 4.871 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.124 -11.953 6.117 1.00 0.00 H new ATOM 0 HB VAL A 32 0.091 -9.851 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.263 -8.228 4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.160 -9.726 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.417 -9.435 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.750 -8.279 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.526 -9.487 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.333 -9.812 6.647 1.00 0.00 H new ATOM 487 N SER A 33 -2.874 -11.917 4.282 1.00 0.00 N ATOM 488 CA SER A 33 -3.826 -12.184 3.206 1.00 0.00 C ATOM 489 C SER A 33 -4.255 -10.907 2.488 1.00 0.00 C ATOM 490 O SER A 33 -3.913 -9.799 2.897 1.00 0.00 O ATOM 491 CB SER A 33 -5.055 -12.906 3.761 1.00 0.00 C ATOM 492 OG SER A 33 -5.526 -13.884 2.851 1.00 0.00 O ATOM 0 H SER A 33 -3.284 -11.899 5.216 1.00 0.00 H new ATOM 0 HA SER A 33 -3.324 -12.819 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.805 -13.379 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.845 -12.183 3.963 1.00 0.00 H new ATOM 0 HG SER A 33 -6.311 -14.332 3.230 1.00 0.00 H new ATOM 498 N GLU A 34 -4.993 -11.090 1.394 1.00 0.00 N ATOM 499 CA GLU A 34 -5.466 -9.979 0.575 1.00 0.00 C ATOM 500 C GLU A 34 -6.399 -9.048 1.344 1.00 0.00 C ATOM 501 O GLU A 34 -6.285 -7.828 1.240 1.00 0.00 O ATOM 502 CB GLU A 34 -6.177 -10.514 -0.669 1.00 0.00 C ATOM 503 CG GLU A 34 -5.260 -11.281 -1.608 1.00 0.00 C ATOM 504 CD GLU A 34 -6.016 -12.206 -2.542 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.929 -11.724 -3.247 1.00 0.00 O ATOM 506 OE2 GLU A 34 -5.694 -13.412 -2.571 1.00 0.00 O ATOM 0 H GLU A 34 -5.278 -12.008 1.053 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.592 -9.397 0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.994 -11.166 -0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.623 -9.679 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.677 -10.573 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.552 -11.865 -1.020 1.00 0.00 H new ATOM 513 N GLU A 35 -7.323 -9.619 2.104 1.00 0.00 N ATOM 514 CA GLU A 35 -8.274 -8.820 2.876 1.00 0.00 C ATOM 515 C GLU A 35 -7.554 -7.978 3.923 1.00 0.00 C ATOM 516 O GLU A 35 -7.942 -6.841 4.204 1.00 0.00 O ATOM 517 CB GLU A 35 -9.304 -9.726 3.554 1.00 0.00 C ATOM 518 CG GLU A 35 -8.684 -10.784 4.452 1.00 0.00 C ATOM 519 CD GLU A 35 -8.747 -10.413 5.921 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.393 -9.264 6.260 1.00 0.00 O ATOM 521 OE2 GLU A 35 -9.148 -11.273 6.734 1.00 0.00 O ATOM 0 H GLU A 35 -7.437 -10.628 2.205 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.788 -8.150 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.983 -9.112 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.904 -10.217 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.199 -11.732 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.644 -10.936 4.164 1.00 0.00 H new ATOM 528 N ASP A 36 -6.483 -8.533 4.474 1.00 0.00 N ATOM 529 CA ASP A 36 -5.695 -7.826 5.468 1.00 0.00 C ATOM 530 C ASP A 36 -4.873 -6.739 4.791 1.00 0.00 C ATOM 531 O ASP A 36 -4.704 -5.644 5.329 1.00 0.00 O ATOM 532 CB ASP A 36 -4.788 -8.795 6.224 1.00 0.00 C ATOM 533 CG ASP A 36 -5.506 -9.483 7.369 1.00 0.00 C ATOM 534 OD1 ASP A 36 -6.269 -10.437 7.106 1.00 0.00 O ATOM 535 OD2 ASP A 36 -5.305 -9.068 8.530 1.00 0.00 O ATOM 0 H ASP A 36 -6.143 -9.468 4.249 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.368 -7.363 6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.408 -9.547 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.925 -8.254 6.612 1.00 0.00 H new ATOM 540 N MET A 37 -4.387 -7.041 3.591 1.00 0.00 N ATOM 541 CA MET A 37 -3.609 -6.081 2.824 1.00 0.00 C ATOM 542 C MET A 37 -4.498 -4.917 2.409 1.00 0.00 C ATOM 543 O MET A 37 -4.138 -3.753 2.581 1.00 0.00 O ATOM 544 CB MET A 37 -3.000 -6.746 1.588 1.00 0.00 C ATOM 545 CG MET A 37 -1.594 -6.265 1.272 1.00 0.00 C ATOM 546 SD MET A 37 -0.393 -6.791 2.509 1.00 0.00 S ATOM 547 CE MET A 37 0.845 -5.509 2.350 1.00 0.00 C ATOM 0 H MET A 37 -4.519 -7.942 3.131 1.00 0.00 H new ATOM 0 HA MET A 37 -2.796 -5.709 3.448 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.981 -7.825 1.738 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.643 -6.555 0.729 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.294 -6.644 0.295 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.591 -5.177 1.207 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.325 -5.345 3.315 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.594 -5.815 1.620 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.371 -4.585 2.019 1.00 0.00 H new ATOM 557 N VAL A 38 -5.672 -5.245 1.871 1.00 0.00 N ATOM 558 CA VAL A 38 -6.624 -4.230 1.442 1.00 0.00 C ATOM 559 C VAL A 38 -6.949 -3.295 2.593 1.00 0.00 C ATOM 560 O VAL A 38 -6.952 -2.076 2.431 1.00 0.00 O ATOM 561 CB VAL A 38 -7.928 -4.857 0.911 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.867 -3.782 0.381 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.623 -5.887 -0.166 1.00 0.00 C ATOM 0 H VAL A 38 -5.983 -6.205 1.723 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.158 -3.671 0.630 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.427 -5.363 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.781 -4.247 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.113 -3.086 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.380 -3.242 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.555 -6.320 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.100 -5.406 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.996 -6.675 0.251 1.00 0.00 H new ATOM 573 N THR A 39 -7.208 -3.869 3.763 1.00 0.00 N ATOM 574 CA THR A 39 -7.512 -3.073 4.940 1.00 0.00 C ATOM 575 C THR A 39 -6.357 -2.116 5.233 1.00 0.00 C ATOM 576 O THR A 39 -6.567 -0.929 5.486 1.00 0.00 O ATOM 577 CB THR A 39 -7.777 -3.996 6.136 1.00 0.00 C ATOM 578 OG1 THR A 39 -9.137 -4.390 6.168 1.00 0.00 O ATOM 579 CG2 THR A 39 -7.452 -3.373 7.475 1.00 0.00 C ATOM 0 H THR A 39 -7.213 -4.877 3.918 1.00 0.00 H new ATOM 0 HA THR A 39 -8.409 -2.481 4.757 1.00 0.00 H new ATOM 0 HB THR A 39 -7.114 -4.848 5.987 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.289 -4.980 6.936 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.666 -4.087 8.270 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.396 -3.103 7.504 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.059 -2.479 7.617 1.00 0.00 H new ATOM 587 N VAL A 40 -5.135 -2.644 5.186 1.00 0.00 N ATOM 588 CA VAL A 40 -3.941 -1.843 5.435 1.00 0.00 C ATOM 589 C VAL A 40 -3.860 -0.666 4.466 1.00 0.00 C ATOM 590 O VAL A 40 -3.507 0.447 4.853 1.00 0.00 O ATOM 591 CB VAL A 40 -2.661 -2.691 5.306 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.431 -1.864 5.653 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.745 -3.929 6.187 1.00 0.00 C ATOM 0 H VAL A 40 -4.947 -3.625 4.977 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.016 -1.466 6.455 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.570 -3.017 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.538 -2.481 5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.360 -1.014 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.513 -1.503 6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.831 -4.514 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.864 -3.628 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.600 -4.534 5.884 1.00 0.00 H new ATOM 603 N VAL A 41 -4.187 -0.922 3.202 1.00 0.00 N ATOM 604 CA VAL A 41 -4.150 0.116 2.180 1.00 0.00 C ATOM 605 C VAL A 41 -5.267 1.134 2.386 1.00 0.00 C ATOM 606 O VAL A 41 -5.036 2.341 2.333 1.00 0.00 O ATOM 607 CB VAL A 41 -4.275 -0.483 0.765 1.00 0.00 C ATOM 608 CG1 VAL A 41 -4.038 0.585 -0.292 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.306 -1.643 0.588 1.00 0.00 C ATOM 0 H VAL A 41 -4.480 -1.838 2.863 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.185 0.615 2.274 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.289 -0.864 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.131 0.142 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.776 1.379 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.037 1.000 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.409 -2.053 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.285 -1.290 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.529 -2.418 1.321 1.00 0.00 H new ATOM 619 N GLU A 42 -6.479 0.637 2.617 1.00 0.00 N ATOM 620 CA GLU A 42 -7.634 1.503 2.827 1.00 0.00 C ATOM 621 C GLU A 42 -7.396 2.461 3.992 1.00 0.00 C ATOM 622 O GLU A 42 -7.632 3.666 3.873 1.00 0.00 O ATOM 623 CB GLU A 42 -8.888 0.663 3.083 1.00 0.00 C ATOM 624 CG GLU A 42 -9.843 0.626 1.900 1.00 0.00 C ATOM 625 CD GLU A 42 -11.258 1.014 2.280 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.959 0.180 2.889 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.665 2.152 1.967 1.00 0.00 O ATOM 0 H GLU A 42 -6.686 -0.361 2.663 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.782 2.095 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.589 -0.356 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.412 1.062 3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.481 1.301 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.848 -0.377 1.473 1.00 0.00 H new ATOM 634 N ASP A 43 -6.914 1.927 5.111 1.00 0.00 N ATOM 635 CA ASP A 43 -6.639 2.757 6.276 1.00 0.00 C ATOM 636 C ASP A 43 -5.455 3.673 5.997 1.00 0.00 C ATOM 637 O ASP A 43 -5.429 4.817 6.438 1.00 0.00 O ATOM 638 CB ASP A 43 -6.380 1.899 7.519 1.00 0.00 C ATOM 639 CG ASP A 43 -5.203 0.959 7.357 1.00 0.00 C ATOM 640 OD1 ASP A 43 -4.095 1.439 7.042 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.390 -0.260 7.556 1.00 0.00 O ATOM 0 H ASP A 43 -6.708 0.936 5.234 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.518 3.370 6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.201 2.552 8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.274 1.317 7.744 1.00 0.00 H new ATOM 646 N TRP A 44 -4.493 3.164 5.232 1.00 0.00 N ATOM 647 CA TRP A 44 -3.311 3.935 4.858 1.00 0.00 C ATOM 648 C TRP A 44 -3.728 5.172 4.067 1.00 0.00 C ATOM 649 O TRP A 44 -3.206 6.270 4.274 1.00 0.00 O ATOM 650 CB TRP A 44 -2.383 3.079 3.985 1.00 0.00 C ATOM 651 CG TRP A 44 -1.297 2.363 4.733 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.845 2.627 5.994 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.518 1.258 4.250 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.167 1.755 6.325 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.385 0.905 5.271 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.497 0.534 3.053 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.298 -0.141 5.128 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.407 -0.502 2.916 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.293 -0.830 3.947 1.00 0.00 C ATOM 0 H TRP A 44 -4.510 2.215 4.857 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.788 4.236 5.766 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.985 2.342 3.454 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.924 3.719 3.231 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.226 3.406 6.638 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.673 1.743 7.211 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.176 0.781 2.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.984 -0.397 5.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.430 -1.068 1.997 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.988 -1.645 3.807 1.00 0.00 H new ATOM 670 N MET A 45 -4.661 4.969 3.139 1.00 0.00 N ATOM 671 CA MET A 45 -5.145 6.040 2.278 1.00 0.00 C ATOM 672 C MET A 45 -5.953 7.086 3.039 1.00 0.00 C ATOM 673 O MET A 45 -5.740 8.284 2.851 1.00 0.00 O ATOM 674 CB MET A 45 -5.993 5.462 1.142 1.00 0.00 C ATOM 675 CG MET A 45 -5.172 4.870 0.008 1.00 0.00 C ATOM 676 SD MET A 45 -5.820 5.303 -1.619 1.00 0.00 S ATOM 677 CE MET A 45 -6.921 3.923 -1.927 1.00 0.00 C ATOM 0 H MET A 45 -5.098 4.064 2.965 1.00 0.00 H new ATOM 0 HA MET A 45 -4.266 6.539 1.871 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.648 4.690 1.546 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.634 6.248 0.743 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.143 5.219 0.089 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.150 3.785 0.109 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.398 4.048 -2.899 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.351 2.994 -1.919 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.685 3.887 -1.150 1.00 0.00 H new ATOM 687 N ASN A 46 -6.875 6.658 3.901 1.00 0.00 N ATOM 688 CA ASN A 46 -7.674 7.610 4.662 1.00 0.00 C ATOM 689 C ASN A 46 -6.812 8.280 5.721 1.00 0.00 C ATOM 690 O ASN A 46 -7.014 9.446 6.057 1.00 0.00 O ATOM 691 CB ASN A 46 -8.895 6.915 5.291 1.00 0.00 C ATOM 692 CG ASN A 46 -8.669 6.458 6.725 1.00 0.00 C ATOM 693 OD1 ASN A 46 -8.390 7.265 7.613 1.00 0.00 O ATOM 694 ND2 ASN A 46 -8.802 5.158 6.957 1.00 0.00 N ATOM 0 H ASN A 46 -7.083 5.677 4.086 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.047 8.380 3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.743 7.599 5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.164 6.052 4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.672 4.792 7.900 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.034 4.525 6.192 1.00 0.00 H new ATOM 701 N PHE A 47 -5.835 7.536 6.230 1.00 0.00 N ATOM 702 CA PHE A 47 -4.931 8.066 7.233 1.00 0.00 C ATOM 703 C PHE A 47 -4.156 9.243 6.655 1.00 0.00 C ATOM 704 O PHE A 47 -4.052 10.292 7.284 1.00 0.00 O ATOM 705 CB PHE A 47 -3.973 6.971 7.733 1.00 0.00 C ATOM 706 CG PHE A 47 -2.522 7.365 7.735 1.00 0.00 C ATOM 707 CD1 PHE A 47 -2.060 8.364 8.576 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.625 6.737 6.888 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.727 8.728 8.572 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.293 7.097 6.878 1.00 0.00 C ATOM 711 CZ PHE A 47 0.156 8.094 7.721 1.00 0.00 C ATOM 0 H PHE A 47 -5.653 6.569 5.963 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.513 8.414 8.087 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.261 6.689 8.746 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.095 6.086 7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.749 8.863 9.242 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.972 5.956 6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.377 9.507 9.233 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.397 6.600 6.212 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.198 8.378 7.715 1.00 0.00 H new ATOM 721 N TYR A 48 -3.620 9.067 5.448 1.00 0.00 N ATOM 722 CA TYR A 48 -2.865 10.133 4.803 1.00 0.00 C ATOM 723 C TYR A 48 -3.773 11.310 4.477 1.00 0.00 C ATOM 724 O TYR A 48 -3.402 12.466 4.668 1.00 0.00 O ATOM 725 CB TYR A 48 -2.200 9.624 3.521 1.00 0.00 C ATOM 726 CG TYR A 48 -0.923 8.846 3.750 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.082 9.340 4.572 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.719 7.618 3.130 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.253 8.633 4.770 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.448 6.905 3.326 1.00 0.00 C ATOM 731 CZ TYR A 48 1.431 7.417 4.146 1.00 0.00 C ATOM 732 OH TYR A 48 2.596 6.711 4.342 1.00 0.00 O ATOM 0 H TYR A 48 -3.694 8.207 4.905 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.091 10.464 5.495 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.907 8.990 2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.983 10.475 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.054 10.292 5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.486 7.215 2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.025 9.032 5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.590 5.951 2.839 1.00 0.00 H new ATOM 0 HH TYR A 48 3.071 6.620 3.490 1.00 0.00 H new ATOM 742 N ILE A 49 -4.961 11.007 3.974 1.00 0.00 N ATOM 743 CA ILE A 49 -5.925 12.035 3.609 1.00 0.00 C ATOM 744 C ILE A 49 -6.227 12.963 4.792 1.00 0.00 C ATOM 745 O ILE A 49 -6.073 14.184 4.695 1.00 0.00 O ATOM 746 CB ILE A 49 -7.232 11.381 3.100 1.00 0.00 C ATOM 747 CG1 ILE A 49 -7.037 10.861 1.674 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.406 12.349 3.157 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.688 11.944 0.678 1.00 0.00 C ATOM 0 H ILE A 49 -5.281 10.053 3.809 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.489 12.637 2.812 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.466 10.544 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.246 10.111 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.950 10.361 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.305 11.853 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.562 12.671 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.192 13.217 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.565 11.503 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.489 12.683 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.759 12.428 0.978 1.00 0.00 H new ATOM 761 N ASN A 50 -6.648 12.377 5.907 1.00 0.00 N ATOM 762 CA ASN A 50 -6.967 13.152 7.101 1.00 0.00 C ATOM 763 C ASN A 50 -5.702 13.687 7.763 1.00 0.00 C ATOM 764 O ASN A 50 -5.678 14.814 8.260 1.00 0.00 O ATOM 765 CB ASN A 50 -7.750 12.294 8.096 1.00 0.00 C ATOM 766 CG ASN A 50 -9.140 11.952 7.598 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.936 12.838 7.282 1.00 0.00 O ATOM 768 ND2 ASN A 50 -9.441 10.661 7.524 1.00 0.00 N ATOM 0 H ASN A 50 -6.776 11.370 6.010 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.581 14.000 6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.200 11.373 8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.828 12.824 9.045 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.362 10.370 7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.752 9.960 7.796 1.00 0.00 H new ATOM 775 N TYR A 51 -4.656 12.871 7.769 1.00 0.00 N ATOM 776 CA TYR A 51 -3.386 13.253 8.376 1.00 0.00 C ATOM 777 C TYR A 51 -2.805 14.486 7.696 1.00 0.00 C ATOM 778 O TYR A 51 -2.352 15.420 8.357 1.00 0.00 O ATOM 779 CB TYR A 51 -2.409 12.081 8.275 1.00 0.00 C ATOM 780 CG TYR A 51 -1.021 12.366 8.794 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.823 13.078 9.967 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.092 11.903 8.110 1.00 0.00 C ATOM 783 CE1 TYR A 51 0.450 13.320 10.445 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.366 12.140 8.576 1.00 0.00 C ATOM 785 CZ TYR A 51 1.542 12.849 9.747 1.00 0.00 C ATOM 786 OH TYR A 51 2.811 13.086 10.220 1.00 0.00 O ATOM 0 H TYR A 51 -4.662 11.937 7.359 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.555 13.500 9.424 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.821 11.235 8.825 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.336 11.777 7.231 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.677 13.449 10.515 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.042 11.346 7.195 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.589 13.875 11.361 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.222 11.773 8.029 1.00 0.00 H new ATOM 0 HH TYR A 51 3.467 12.686 9.611 1.00 0.00 H new ATOM 796 N TYR A 52 -2.812 14.472 6.371 1.00 0.00 N ATOM 797 CA TYR A 52 -2.278 15.577 5.587 1.00 0.00 C ATOM 798 C TYR A 52 -3.217 16.772 5.577 1.00 0.00 C ATOM 799 O TYR A 52 -2.770 17.912 5.483 1.00 0.00 O ATOM 800 CB TYR A 52 -1.986 15.119 4.161 1.00 0.00 C ATOM 801 CG TYR A 52 -0.795 14.204 4.079 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.426 14.585 4.613 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.895 12.954 3.489 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.517 13.744 4.566 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.192 12.109 3.430 1.00 0.00 C ATOM 806 CZ TYR A 52 1.397 12.506 3.973 1.00 0.00 C ATOM 807 OH TYR A 52 2.480 11.659 3.937 1.00 0.00 O ATOM 0 H TYR A 52 -3.184 13.703 5.813 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.349 15.896 6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.861 14.607 3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.813 15.992 3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.524 15.557 5.074 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.838 12.638 3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.460 14.053 4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.101 11.140 2.961 1.00 0.00 H new ATOM 0 HH TYR A 52 2.192 10.750 4.163 1.00 0.00 H new ATOM 817 N ARG A 53 -4.514 16.520 5.687 1.00 0.00 N ATOM 818 CA ARG A 53 -5.486 17.603 5.699 1.00 0.00 C ATOM 819 C ARG A 53 -5.252 18.521 6.897 1.00 0.00 C ATOM 820 O ARG A 53 -5.596 19.703 6.863 1.00 0.00 O ATOM 821 CB ARG A 53 -6.909 17.033 5.735 1.00 0.00 C ATOM 822 CG ARG A 53 -7.993 18.087 5.890 1.00 0.00 C ATOM 823 CD ARG A 53 -9.379 17.489 5.697 1.00 0.00 C ATOM 824 NE ARG A 53 -9.706 17.320 4.281 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.197 16.198 3.754 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.439 15.138 4.517 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.453 16.138 2.454 1.00 0.00 N ATOM 0 H ARG A 53 -4.914 15.585 5.768 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.364 18.189 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.089 16.474 4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.985 16.324 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.924 18.539 6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.834 18.884 5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.431 16.523 6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.122 18.134 6.167 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.548 18.111 3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.249 15.176 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.815 14.286 4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.274 16.948 1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.829 15.281 2.047 1.00 0.00 H new ATOM 841 N GLN A 54 -4.695 17.959 7.966 1.00 0.00 N ATOM 842 CA GLN A 54 -4.443 18.707 9.192 1.00 0.00 C ATOM 843 C GLN A 54 -3.004 19.221 9.288 1.00 0.00 C ATOM 844 O GLN A 54 -2.710 20.078 10.121 1.00 0.00 O ATOM 845 CB GLN A 54 -4.734 17.804 10.390 1.00 0.00 C ATOM 846 CG GLN A 54 -4.527 18.475 11.737 1.00 0.00 C ATOM 847 CD GLN A 54 -4.908 17.578 12.901 1.00 0.00 C ATOM 848 OE1 GLN A 54 -4.598 16.290 12.789 1.00 0.00 O flip ATOM 849 NE2 GLN A 54 -5.474 18.039 13.893 1.00 0.00 N flip ATOM 0 H GLN A 54 -4.408 16.981 8.007 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.097 19.579 9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.764 17.453 10.325 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.093 16.924 10.332 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.482 18.768 11.836 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.120 19.389 11.778 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.694 19.034 13.938 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.723 17.426 14.669 1.00 0.00 H new ATOM 858 N GLN A 55 -2.100 18.683 8.473 1.00 0.00 N ATOM 859 CA GLN A 55 -0.699 19.096 8.535 1.00 0.00 C ATOM 860 C GLN A 55 -0.278 19.968 7.347 1.00 0.00 C ATOM 861 O GLN A 55 0.812 19.796 6.800 1.00 0.00 O ATOM 862 CB GLN A 55 0.205 17.864 8.641 1.00 0.00 C ATOM 863 CG GLN A 55 0.443 17.153 7.322 1.00 0.00 C ATOM 864 CD GLN A 55 0.714 15.671 7.503 1.00 0.00 C ATOM 865 OE1 GLN A 55 -0.151 14.830 7.268 1.00 0.00 O ATOM 866 NE2 GLN A 55 1.921 15.345 7.934 1.00 0.00 N ATOM 0 H GLN A 55 -2.307 17.971 7.772 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.588 19.713 9.427 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.166 18.167 9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.239 17.161 9.345 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.428 17.284 6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.288 17.614 6.811 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.611 16.073 8.117 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.162 14.365 8.083 1.00 0.00 H new ATOM 875 N VAL A 56 -1.126 20.917 6.971 1.00 0.00 N ATOM 876 CA VAL A 56 -0.809 21.826 5.869 1.00 0.00 C ATOM 877 C VAL A 56 -0.728 23.263 6.373 1.00 0.00 C ATOM 878 O VAL A 56 -1.308 23.599 7.404 1.00 0.00 O ATOM 879 CB VAL A 56 -1.838 21.765 4.713 1.00 0.00 C ATOM 880 CG1 VAL A 56 -1.128 21.717 3.368 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.780 20.578 4.857 1.00 0.00 C ATOM 0 H VAL A 56 -2.033 21.079 7.407 1.00 0.00 H new ATOM 0 HA VAL A 56 0.154 21.498 5.477 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.440 22.672 4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.867 21.674 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.515 22.610 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.493 20.832 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.486 20.571 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.203 19.653 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.326 20.659 5.797 1.00 0.00 H new ATOM 891 N THR A 57 -0.011 24.110 5.642 1.00 0.00 N ATOM 892 CA THR A 57 0.140 25.510 6.013 1.00 0.00 C ATOM 893 C THR A 57 -0.148 26.400 4.810 1.00 0.00 C ATOM 894 O THR A 57 -0.297 25.907 3.692 1.00 0.00 O ATOM 895 CB THR A 57 1.553 25.777 6.535 1.00 0.00 C ATOM 896 OG1 THR A 57 2.523 25.223 5.663 1.00 0.00 O ATOM 897 CG2 THR A 57 1.799 25.209 7.916 1.00 0.00 C ATOM 0 H THR A 57 0.476 23.848 4.785 1.00 0.00 H new ATOM 0 HA THR A 57 -0.572 25.739 6.806 1.00 0.00 H new ATOM 0 HB THR A 57 1.641 26.862 6.586 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.128 25.092 4.776 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.820 25.434 8.225 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.099 25.655 8.623 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.656 24.129 7.896 1.00 0.00 H new ATOM 905 N GLY A 58 -0.222 27.707 5.033 1.00 0.00 N ATOM 906 CA GLY A 58 -0.485 28.623 3.939 1.00 0.00 C ATOM 907 C GLY A 58 -1.964 28.787 3.654 1.00 0.00 C ATOM 908 O GLY A 58 -2.802 28.554 4.526 1.00 0.00 O ATOM 0 H GLY A 58 -0.105 28.147 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.055 29.596 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.016 28.262 3.041 1.00 0.00 H new ATOM 912 N GLU A 59 -2.283 29.193 2.430 1.00 0.00 N ATOM 913 CA GLU A 59 -3.669 29.394 2.025 1.00 0.00 C ATOM 914 C GLU A 59 -4.415 28.064 1.945 1.00 0.00 C ATOM 915 O GLU A 59 -3.800 27.003 1.839 1.00 0.00 O ATOM 916 CB GLU A 59 -3.726 30.109 0.674 1.00 0.00 C ATOM 917 CG GLU A 59 -3.524 31.612 0.772 1.00 0.00 C ATOM 918 CD GLU A 59 -2.070 32.013 0.632 1.00 0.00 C ATOM 919 OE1 GLU A 59 -1.247 31.562 1.457 1.00 0.00 O ATOM 920 OE2 GLU A 59 -1.752 32.779 -0.302 1.00 0.00 O ATOM 0 H GLU A 59 -1.599 29.390 1.700 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.155 30.014 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.963 29.690 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.691 29.910 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.110 32.105 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.904 31.965 1.731 1.00 0.00 H new ATOM 927 N PRO A 60 -5.758 28.106 1.994 1.00 0.00 N ATOM 928 CA PRO A 60 -6.591 26.899 1.926 1.00 0.00 C ATOM 929 C PRO A 60 -6.518 26.221 0.563 1.00 0.00 C ATOM 930 O PRO A 60 -6.696 25.008 0.452 1.00 0.00 O ATOM 931 CB PRO A 60 -8.005 27.424 2.187 1.00 0.00 C ATOM 932 CG PRO A 60 -7.958 28.858 1.786 1.00 0.00 C ATOM 933 CD PRO A 60 -6.570 29.331 2.119 1.00 0.00 C ATOM 0 HA PRO A 60 -6.266 26.141 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.745 26.874 1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.280 27.315 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.166 28.974 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.708 29.439 2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.234 30.109 1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.517 29.748 3.125 1.00 0.00 H new ATOM 941 N GLN A 61 -6.255 27.013 -0.473 1.00 0.00 N ATOM 942 CA GLN A 61 -6.158 26.489 -1.831 1.00 0.00 C ATOM 943 C GLN A 61 -5.016 25.485 -1.945 1.00 0.00 C ATOM 944 O GLN A 61 -5.156 24.435 -2.575 1.00 0.00 O ATOM 945 CB GLN A 61 -5.952 27.632 -2.827 1.00 0.00 C ATOM 946 CG GLN A 61 -6.981 27.655 -3.947 1.00 0.00 C ATOM 947 CD GLN A 61 -6.349 27.547 -5.322 1.00 0.00 C ATOM 948 OE1 GLN A 61 -5.802 28.518 -5.845 1.00 0.00 O ATOM 949 NE2 GLN A 61 -6.423 26.362 -5.915 1.00 0.00 N ATOM 0 H GLN A 61 -6.105 28.019 -0.398 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.091 25.977 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.989 28.581 -2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.956 27.549 -3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.682 26.832 -3.808 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.557 28.578 -3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.886 25.584 -5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.017 26.229 -6.841 1.00 0.00 H new ATOM 958 N GLU A 62 -3.887 25.814 -1.327 1.00 0.00 N ATOM 959 CA GLU A 62 -2.724 24.940 -1.357 1.00 0.00 C ATOM 960 C GLU A 62 -3.030 23.619 -0.665 1.00 0.00 C ATOM 961 O GLU A 62 -2.734 22.545 -1.195 1.00 0.00 O ATOM 962 CB GLU A 62 -1.529 25.615 -0.684 1.00 0.00 C ATOM 963 CG GLU A 62 -0.910 26.725 -1.517 1.00 0.00 C ATOM 964 CD GLU A 62 0.355 26.284 -2.228 1.00 0.00 C ATOM 965 OE1 GLU A 62 1.298 25.841 -1.540 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.401 26.381 -3.473 1.00 0.00 O ATOM 0 H GLU A 62 -3.754 26.678 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.475 24.741 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.846 26.025 0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.769 24.863 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.636 27.069 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.683 27.574 -0.873 1.00 0.00 H new ATOM 973 N ARG A 63 -3.642 23.696 0.517 1.00 0.00 N ATOM 974 CA ARG A 63 -3.991 22.490 1.253 1.00 0.00 C ATOM 975 C ARG A 63 -4.807 21.570 0.361 1.00 0.00 C ATOM 976 O ARG A 63 -4.507 20.388 0.221 1.00 0.00 O ATOM 977 CB ARG A 63 -4.816 22.843 2.489 1.00 0.00 C ATOM 978 CG ARG A 63 -4.290 24.038 3.259 1.00 0.00 C ATOM 979 CD ARG A 63 -4.522 23.865 4.747 1.00 0.00 C ATOM 980 NE ARG A 63 -3.739 24.807 5.542 1.00 0.00 N ATOM 981 CZ ARG A 63 -3.997 25.097 6.816 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.018 24.521 7.440 1.00 0.00 N ATOM 983 NH2 ARG A 63 -3.235 25.965 7.468 1.00 0.00 N ATOM 0 H ARG A 63 -3.901 24.569 0.976 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.073 21.992 1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.843 23.044 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.845 21.979 3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.225 24.161 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.784 24.946 2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.581 24.001 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.265 22.846 5.037 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.948 25.270 5.095 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.608 23.854 6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.212 24.746 8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.450 26.412 6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.434 26.186 8.444 1.00 0.00 H new ATOM 997 N ASP A 64 -5.858 22.132 -0.224 1.00 0.00 N ATOM 998 CA ASP A 64 -6.744 21.367 -1.084 1.00 0.00 C ATOM 999 C ASP A 64 -5.980 20.695 -2.220 1.00 0.00 C ATOM 1000 O ASP A 64 -6.249 19.537 -2.541 1.00 0.00 O ATOM 1001 CB ASP A 64 -7.845 22.266 -1.651 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.115 22.216 -0.822 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -9.112 22.765 0.299 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.110 21.630 -1.296 1.00 0.00 O ATOM 0 H ASP A 64 -6.115 23.113 -0.117 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.199 20.585 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.484 23.293 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.069 21.961 -2.673 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.032 21.401 -2.840 1.00 0.00 N ATOM 1010 CA LYS A 65 -4.266 20.818 -3.935 1.00 0.00 C ATOM 1011 C LYS A 65 -3.441 19.636 -3.446 1.00 0.00 C ATOM 1012 O LYS A 65 -3.207 18.679 -4.184 1.00 0.00 O ATOM 1013 CB LYS A 65 -3.350 21.876 -4.559 1.00 0.00 C ATOM 1014 CG LYS A 65 -2.419 21.329 -5.630 1.00 0.00 C ATOM 1015 CD LYS A 65 -0.961 21.626 -5.311 1.00 0.00 C ATOM 1016 CE LYS A 65 -0.146 21.851 -6.573 1.00 0.00 C ATOM 1017 NZ LYS A 65 1.318 21.769 -6.311 1.00 0.00 N ATOM 0 H LYS A 65 -4.782 22.361 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.965 20.461 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.965 22.664 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.752 22.335 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.560 20.252 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.677 21.766 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.900 22.510 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.536 20.797 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.423 21.108 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.386 22.829 -6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.839 21.928 -7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.587 22.494 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.551 20.827 -5.937 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.004 19.703 -2.195 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.212 18.630 -1.613 1.00 0.00 C ATOM 1033 C ALA A 66 -3.080 17.406 -1.330 1.00 0.00 C ATOM 1034 O ALA A 66 -2.662 16.270 -1.554 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.529 19.105 -0.339 1.00 0.00 C ATOM 0 H ALA A 66 -3.184 20.486 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.445 18.343 -2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.941 18.291 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.873 19.945 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.283 19.420 0.382 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.290 17.648 -0.831 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.215 16.569 -0.507 1.00 0.00 C ATOM 1043 C LEU A 67 -5.773 15.912 -1.764 1.00 0.00 C ATOM 1044 O LEU A 67 -6.026 14.707 -1.781 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.366 17.097 0.353 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.067 17.190 1.851 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.727 17.867 2.080 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.178 17.944 2.569 1.00 0.00 C ATOM 0 H LEU A 67 -4.651 18.583 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.659 15.816 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.645 18.087 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.232 16.450 0.211 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.018 16.181 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.527 17.926 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.940 17.289 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.751 18.872 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.950 18.001 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.257 18.951 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.123 17.420 2.428 1.00 0.00 H new ATOM 1060 N GLN A 68 -5.957 16.698 -2.819 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.478 16.165 -4.070 1.00 0.00 C ATOM 1062 C GLN A 68 -5.406 15.351 -4.780 1.00 0.00 C ATOM 1063 O GLN A 68 -5.648 14.220 -5.203 1.00 0.00 O ATOM 1064 CB GLN A 68 -6.988 17.296 -4.972 1.00 0.00 C ATOM 1065 CG GLN A 68 -5.886 18.117 -5.625 1.00 0.00 C ATOM 1066 CD GLN A 68 -6.430 19.253 -6.469 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -7.011 20.251 -5.813 1.00 0.00 O flip ATOM 1068 NE2 GLN A 68 -6.330 19.235 -7.696 1.00 0.00 N flip ATOM 0 H GLN A 68 -5.755 17.698 -2.833 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.319 15.510 -3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.618 16.868 -5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.619 17.960 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.234 18.523 -4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.274 17.466 -6.249 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.876 18.448 -8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.701 20.007 -8.249 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.217 15.929 -4.901 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.109 15.250 -5.549 1.00 0.00 C ATOM 1079 C GLU A 69 -2.727 13.999 -4.776 1.00 0.00 C ATOM 1080 O GLU A 69 -2.316 12.999 -5.362 1.00 0.00 O ATOM 1081 CB GLU A 69 -1.906 16.185 -5.668 1.00 0.00 C ATOM 1082 CG GLU A 69 -0.984 15.846 -6.828 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.007 16.961 -7.141 1.00 0.00 C ATOM 1084 OE1 GLU A 69 0.846 17.261 -6.280 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -0.094 17.533 -8.248 1.00 0.00 O ATOM 0 H GLU A 69 -3.999 16.865 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.424 14.958 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.262 17.209 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.336 16.150 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.430 14.937 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.583 15.634 -7.713 1.00 0.00 H new ATOM 1092 N LEU A 70 -2.876 14.053 -3.454 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.555 12.906 -2.618 1.00 0.00 C ATOM 1094 C LEU A 70 -3.543 11.781 -2.887 1.00 0.00 C ATOM 1095 O LEU A 70 -3.153 10.635 -3.109 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.586 13.297 -1.138 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.221 13.625 -0.528 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -1.379 14.523 0.689 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.485 12.346 -0.155 1.00 0.00 C ATOM 0 H LEU A 70 -3.213 14.871 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.549 12.563 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.238 14.163 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.034 12.481 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.631 14.159 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.397 14.744 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.866 15.453 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.987 14.017 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.484 12.597 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.073 11.787 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.338 11.738 -1.047 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.826 12.120 -2.864 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.881 11.142 -3.103 1.00 0.00 C ATOM 1113 C ARG A 71 -5.669 10.440 -4.439 1.00 0.00 C ATOM 1114 O ARG A 71 -5.758 9.215 -4.527 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.250 11.825 -3.081 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.405 10.892 -3.407 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.744 11.583 -3.216 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.904 12.725 -4.113 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.223 12.617 -5.402 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -10.408 11.422 -5.949 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.356 13.708 -6.145 1.00 0.00 N ATOM 0 H ARG A 71 -5.162 13.066 -2.682 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.844 10.396 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.413 12.260 -2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.247 12.648 -3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.316 10.546 -4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.354 10.010 -2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.549 10.869 -3.391 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.835 11.918 -2.183 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.763 13.660 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.306 10.580 -5.382 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.652 11.345 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.214 14.629 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.600 13.626 -7.132 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.368 11.216 -5.475 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.124 10.650 -6.792 1.00 0.00 C ATOM 1137 C GLN A 72 -3.785 9.924 -6.803 1.00 0.00 C ATOM 1138 O GLN A 72 -3.609 8.920 -7.495 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.134 11.749 -7.858 1.00 0.00 C ATOM 1140 CG GLN A 72 -6.500 11.978 -8.487 1.00 0.00 C ATOM 1141 CD GLN A 72 -6.424 12.787 -9.767 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -6.249 12.235 -10.855 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -6.556 14.103 -9.646 1.00 0.00 N ATOM 0 H GLN A 72 -5.288 12.232 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.918 9.939 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.789 12.681 -7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.422 11.490 -8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.965 11.015 -8.697 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.143 12.493 -7.773 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.699 14.519 -8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.514 14.698 -10.473 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.846 10.445 -6.019 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.517 9.861 -5.922 1.00 0.00 C ATOM 1154 C GLU A 73 -1.578 8.454 -5.339 1.00 0.00 C ATOM 1155 O GLU A 73 -0.977 7.527 -5.883 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.611 10.746 -5.063 1.00 0.00 C ATOM 1157 CG GLU A 73 0.245 11.704 -5.875 1.00 0.00 C ATOM 1158 CD GLU A 73 1.099 10.991 -6.906 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.798 10.026 -6.531 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.069 11.398 -8.086 1.00 0.00 O ATOM 0 H GLU A 73 -2.984 11.274 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.102 9.796 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.227 11.319 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.039 10.111 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.400 12.425 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.890 12.269 -5.202 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.324 8.285 -4.247 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.471 6.976 -3.629 1.00 0.00 C ATOM 1169 C LEU A 74 -3.263 6.045 -4.539 1.00 0.00 C ATOM 1170 O LEU A 74 -2.904 4.889 -4.728 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.170 7.106 -2.273 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.648 8.235 -1.380 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.800 8.940 -0.683 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.658 7.694 -0.359 1.00 0.00 C ATOM 0 H LEU A 74 -2.831 9.036 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.479 6.552 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.235 7.262 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.068 6.163 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.132 8.960 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.410 9.739 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.473 9.362 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.345 8.225 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.298 8.511 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.150 6.948 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.816 7.235 -0.877 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.358 6.567 -5.084 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.227 5.792 -5.967 1.00 0.00 C ATOM 1188 C ASN A 75 -4.426 5.164 -7.107 1.00 0.00 C ATOM 1189 O ASN A 75 -4.673 4.024 -7.497 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.360 6.682 -6.508 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.422 6.729 -8.025 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.049 5.880 -8.660 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -5.771 7.725 -8.612 1.00 0.00 N ATOM 0 H ASN A 75 -4.666 7.527 -4.929 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.672 4.980 -5.393 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.313 6.317 -6.125 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.230 7.695 -6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.777 7.809 -9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.264 8.406 -8.047 1.00 0.00 H new ATOM 1200 N THR A 76 -3.469 5.917 -7.632 1.00 0.00 N ATOM 1201 CA THR A 76 -2.631 5.435 -8.722 1.00 0.00 C ATOM 1202 C THR A 76 -1.514 4.539 -8.197 1.00 0.00 C ATOM 1203 O THR A 76 -1.093 3.594 -8.864 1.00 0.00 O ATOM 1204 CB THR A 76 -2.029 6.616 -9.484 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.748 7.688 -8.603 1.00 0.00 O ATOM 1206 CG2 THR A 76 -2.928 7.147 -10.579 1.00 0.00 C ATOM 0 H THR A 76 -3.253 6.864 -7.321 1.00 0.00 H new ATOM 0 HA THR A 76 -3.256 4.850 -9.396 1.00 0.00 H new ATOM 0 HB THR A 76 -1.119 6.229 -9.942 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.522 8.288 -8.560 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.439 7.983 -11.078 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.125 6.357 -11.304 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.870 7.484 -10.145 1.00 0.00 H new ATOM 1214 N LEU A 77 -1.029 4.856 -7.003 1.00 0.00 N ATOM 1215 CA LEU A 77 0.055 4.100 -6.383 1.00 0.00 C ATOM 1216 C LEU A 77 -0.415 2.733 -5.880 1.00 0.00 C ATOM 1217 O LEU A 77 0.361 1.779 -5.849 1.00 0.00 O ATOM 1218 CB LEU A 77 0.651 4.911 -5.232 1.00 0.00 C ATOM 1219 CG LEU A 77 1.972 5.611 -5.554 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.366 6.553 -4.429 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.070 4.587 -5.805 1.00 0.00 C ATOM 0 H LEU A 77 -1.371 5.636 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 77 0.817 3.921 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.075 5.662 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.806 4.247 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 77 1.837 6.200 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.308 7.042 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.590 7.307 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.483 5.987 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.003 5.102 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.203 3.971 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.791 3.953 -6.647 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.674 2.648 -5.469 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.229 1.401 -4.948 1.00 0.00 C ATOM 1235 C ALA A 78 -2.499 0.382 -6.054 1.00 0.00 C ATOM 1236 O ALA A 78 -2.436 -0.824 -5.819 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.507 1.681 -4.171 1.00 0.00 C ATOM 0 H ALA A 78 -2.332 3.427 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.484 0.967 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.912 0.745 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.288 2.350 -3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.238 2.150 -4.830 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.811 0.864 -7.252 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.099 -0.026 -8.375 1.00 0.00 C ATOM 1245 C ASN A 79 -1.941 -0.990 -8.642 1.00 0.00 C ATOM 1246 O ASN A 79 -2.150 -2.199 -8.752 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.401 0.791 -9.634 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.884 0.835 -9.951 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.394 0.003 -10.701 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.582 1.811 -9.382 1.00 0.00 N ATOM 0 H ASN A 79 -2.871 1.858 -7.472 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.974 -0.619 -8.111 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.030 1.807 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.864 0.362 -10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.583 1.893 -9.560 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.117 2.479 -8.767 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.701 -0.477 -8.754 1.00 0.00 N ATOM 1258 CA PRO A 80 0.476 -1.314 -9.010 1.00 0.00 C ATOM 1259 C PRO A 80 0.842 -2.195 -7.818 1.00 0.00 C ATOM 1260 O PRO A 80 1.223 -3.358 -7.986 1.00 0.00 O ATOM 1261 CB PRO A 80 1.586 -0.300 -9.288 1.00 0.00 C ATOM 1262 CG PRO A 80 1.155 0.936 -8.579 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.347 0.951 -8.650 1.00 0.00 C ATOM 0 HA PRO A 80 0.303 -2.011 -9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.548 -0.654 -8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.702 -0.123 -10.357 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.497 0.932 -7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.577 1.824 -9.050 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.786 1.410 -7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.703 1.516 -9.511 1.00 0.00 H new ATOM 1271 N PHE A 81 0.716 -1.648 -6.610 1.00 0.00 N ATOM 1272 CA PHE A 81 1.027 -2.395 -5.399 1.00 0.00 C ATOM 1273 C PHE A 81 0.097 -3.591 -5.257 1.00 0.00 C ATOM 1274 O PHE A 81 0.545 -4.729 -5.101 1.00 0.00 O ATOM 1275 CB PHE A 81 0.889 -1.473 -4.183 1.00 0.00 C ATOM 1276 CG PHE A 81 1.030 -2.167 -2.856 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.895 -3.239 -2.703 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.296 -1.738 -1.762 1.00 0.00 C ATOM 1279 CE1 PHE A 81 2.026 -3.870 -1.480 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.423 -2.364 -0.537 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.289 -3.431 -0.395 1.00 0.00 C ATOM 0 H PHE A 81 0.401 -0.692 -6.447 1.00 0.00 H new ATOM 0 HA PHE A 81 2.051 -2.763 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.642 -0.688 -4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.085 -0.984 -4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.472 -3.585 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.383 -0.905 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.703 -4.705 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.154 -2.020 0.309 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.390 -3.922 0.562 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.203 -3.325 -5.316 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.202 -4.376 -5.198 1.00 0.00 C ATOM 1293 C LEU A 82 -1.972 -5.459 -6.244 1.00 0.00 C ATOM 1294 O LEU A 82 -2.268 -6.629 -6.010 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.609 -3.792 -5.342 1.00 0.00 C ATOM 1296 CG LEU A 82 -4.053 -2.882 -4.194 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.498 -2.449 -4.382 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.874 -3.585 -2.855 1.00 0.00 C ATOM 0 H LEU A 82 -1.588 -2.389 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.108 -4.827 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.658 -3.227 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.320 -4.614 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.426 -1.991 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.795 -1.803 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.595 -1.905 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.141 -3.329 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.195 -2.923 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.475 -4.494 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.824 -3.842 -2.716 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.429 -5.065 -7.394 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.149 -6.012 -8.465 1.00 0.00 C ATOM 1312 C ALA A 83 -0.014 -6.949 -8.067 1.00 0.00 C ATOM 1313 O ALA A 83 -0.080 -8.156 -8.296 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.801 -5.272 -9.748 1.00 0.00 C ATOM 0 H ALA A 83 -1.176 -4.100 -7.605 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.043 -6.610 -8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.594 -5.993 -10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.639 -4.640 -10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.080 -4.652 -9.583 1.00 0.00 H new ATOM 1320 N LYS A 84 1.029 -6.386 -7.466 1.00 0.00 N ATOM 1321 CA LYS A 84 2.170 -7.185 -7.035 1.00 0.00 C ATOM 1322 C LYS A 84 1.749 -8.210 -5.986 1.00 0.00 C ATOM 1323 O LYS A 84 2.166 -9.369 -6.031 1.00 0.00 O ATOM 1324 CB LYS A 84 3.269 -6.287 -6.460 1.00 0.00 C ATOM 1325 CG LYS A 84 4.035 -5.510 -7.518 1.00 0.00 C ATOM 1326 CD LYS A 84 5.402 -5.074 -7.013 1.00 0.00 C ATOM 1327 CE LYS A 84 5.488 -3.564 -6.865 1.00 0.00 C ATOM 1328 NZ LYS A 84 6.617 -3.154 -5.985 1.00 0.00 N ATOM 0 H LYS A 84 1.108 -5.389 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 84 2.557 -7.711 -7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.822 -5.584 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.969 -6.901 -5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.155 -6.128 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.459 -4.633 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.603 -5.546 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.172 -5.417 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.611 -3.110 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.552 -3.186 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.640 -2.117 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.487 -3.566 -5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.513 -3.492 -6.390 1.00 0.00 H new ATOM 1342 N TYR A 85 0.925 -7.776 -5.037 1.00 0.00 N ATOM 1343 CA TYR A 85 0.466 -8.663 -3.974 1.00 0.00 C ATOM 1344 C TYR A 85 -0.630 -9.608 -4.456 1.00 0.00 C ATOM 1345 O TYR A 85 -0.703 -10.749 -4.005 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.008 -7.871 -2.757 1.00 0.00 C ATOM 1347 CG TYR A 85 0.512 -8.441 -1.457 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.878 -8.591 -1.244 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.357 -8.841 -0.451 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.363 -9.122 -0.064 1.00 0.00 C ATOM 1351 CE2 TYR A 85 0.120 -9.374 0.732 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.480 -9.512 0.921 1.00 0.00 C ATOM 1353 OH TYR A 85 1.957 -10.043 2.096 1.00 0.00 O ATOM 0 H TYR A 85 0.564 -6.824 -4.982 1.00 0.00 H new ATOM 0 HA TYR A 85 1.321 -9.270 -3.677 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.318 -6.835 -2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.098 -7.861 -2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.572 -8.287 -2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.422 -8.734 -0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.427 -9.231 0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.569 -9.681 1.505 1.00 0.00 H new ATOM 0 HH TYR A 85 2.839 -9.663 2.292 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.472 -9.150 -5.376 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.534 -10.003 -5.897 1.00 0.00 C ATOM 1365 C ARG A 86 -1.923 -11.145 -6.703 1.00 0.00 C ATOM 1366 O ARG A 86 -2.379 -12.286 -6.633 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.528 -9.202 -6.748 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.070 -8.952 -8.176 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.066 -8.090 -8.937 1.00 0.00 C ATOM 1370 NE ARG A 86 -5.241 -8.851 -9.352 1.00 0.00 N ATOM 1371 CZ ARG A 86 -5.268 -9.654 -10.414 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -4.187 -9.801 -11.170 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -6.379 -10.311 -10.720 1.00 0.00 N ATOM 0 H ARG A 86 -1.442 -8.210 -5.771 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.091 -10.418 -5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.479 -9.734 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.712 -8.242 -6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.096 -8.463 -8.167 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.943 -9.904 -8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.378 -7.255 -8.309 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.581 -7.664 -9.815 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.091 -8.762 -8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.331 -9.298 -10.939 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.213 -10.417 -11.982 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.212 -10.201 -10.142 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.400 -10.926 -11.533 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.865 -10.828 -7.447 1.00 0.00 N ATOM 1388 CA ASP A 87 -0.161 -11.823 -8.245 1.00 0.00 C ATOM 1389 C ASP A 87 0.643 -12.740 -7.329 1.00 0.00 C ATOM 1390 O ASP A 87 0.749 -13.943 -7.569 1.00 0.00 O ATOM 1391 CB ASP A 87 0.763 -11.139 -9.256 1.00 0.00 C ATOM 1392 CG ASP A 87 0.677 -11.764 -10.635 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.227 -11.378 -11.405 1.00 0.00 O ATOM 1394 OD2 ASP A 87 1.513 -12.639 -10.943 1.00 0.00 O ATOM 0 H ASP A 87 -0.478 -9.887 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.890 -12.418 -8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.505 -10.082 -9.323 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.791 -11.194 -8.899 1.00 0.00 H new ATOM 1399 N PHE A 88 1.190 -12.157 -6.265 1.00 0.00 N ATOM 1400 CA PHE A 88 1.969 -12.904 -5.280 1.00 0.00 C ATOM 1401 C PHE A 88 1.054 -13.797 -4.444 1.00 0.00 C ATOM 1402 O PHE A 88 1.456 -14.863 -3.981 1.00 0.00 O ATOM 1403 CB PHE A 88 2.728 -11.932 -4.373 1.00 0.00 C ATOM 1404 CG PHE A 88 3.696 -12.600 -3.438 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.552 -13.590 -3.893 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.750 -12.233 -2.103 1.00 0.00 C ATOM 1407 CE1 PHE A 88 5.445 -14.199 -3.033 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.640 -12.839 -1.238 1.00 0.00 C ATOM 1409 CZ PHE A 88 5.490 -13.825 -1.704 1.00 0.00 C ATOM 0 H PHE A 88 1.107 -11.161 -6.062 1.00 0.00 H new ATOM 0 HA PHE A 88 2.685 -13.536 -5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.271 -11.220 -4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.008 -11.360 -3.787 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.521 -13.888 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.088 -11.464 -1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.109 -14.968 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.672 -12.543 -0.200 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.187 -14.301 -1.031 1.00 0.00 H new ATOM 1419 N LEU A 89 -0.191 -13.354 -4.287 1.00 0.00 N ATOM 1420 CA LEU A 89 -1.186 -14.118 -3.541 1.00 0.00 C ATOM 1421 C LEU A 89 -1.730 -15.245 -4.416 1.00 0.00 C ATOM 1422 O LEU A 89 -1.874 -16.387 -3.975 1.00 0.00 O ATOM 1423 CB LEU A 89 -2.329 -13.200 -3.090 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.187 -12.609 -1.682 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -2.772 -13.554 -0.644 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -0.729 -12.302 -1.363 1.00 0.00 C ATOM 0 H LEU A 89 -0.534 -12.471 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.716 -14.548 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.415 -12.379 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.262 -13.761 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.745 -11.673 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.662 -13.117 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.829 -13.716 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.245 -14.507 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.656 -11.884 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.144 -13.220 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.342 -11.582 -2.084 1.00 0.00 H new ATOM 1438 N LYS A 90 -2.040 -14.892 -5.658 1.00 0.00 N ATOM 1439 CA LYS A 90 -2.588 -15.839 -6.625 1.00 0.00 C ATOM 1440 C LYS A 90 -1.535 -16.847 -7.082 1.00 0.00 C ATOM 1441 O LYS A 90 -1.850 -18.006 -7.350 1.00 0.00 O ATOM 1442 CB LYS A 90 -3.155 -15.094 -7.833 1.00 0.00 C ATOM 1443 CG LYS A 90 -4.642 -14.795 -7.719 1.00 0.00 C ATOM 1444 CD LYS A 90 -4.915 -13.684 -6.718 1.00 0.00 C ATOM 1445 CE LYS A 90 -6.403 -13.527 -6.452 1.00 0.00 C ATOM 1446 NZ LYS A 90 -6.742 -12.157 -5.980 1.00 0.00 N ATOM 0 H LYS A 90 -1.920 -13.947 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.389 -16.389 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.613 -14.157 -7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.980 -15.687 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.032 -14.509 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.173 -15.697 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.398 -13.900 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.511 -12.745 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.959 -13.745 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.717 -14.256 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.673 -11.882 -6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.768 -12.145 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.022 -11.486 -6.316 1.00 0.00 H new ATOM 1460 N SER A 91 -0.290 -16.395 -7.186 1.00 0.00 N ATOM 1461 CA SER A 91 0.802 -17.258 -7.629 1.00 0.00 C ATOM 1462 C SER A 91 1.397 -18.067 -6.474 1.00 0.00 C ATOM 1463 O SER A 91 2.262 -18.917 -6.689 1.00 0.00 O ATOM 1464 CB SER A 91 1.897 -16.423 -8.295 1.00 0.00 C ATOM 1465 OG SER A 91 2.705 -17.223 -9.141 1.00 0.00 O ATOM 0 H SER A 91 -0.011 -15.438 -6.970 1.00 0.00 H new ATOM 0 HA SER A 91 0.388 -17.963 -8.350 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.444 -15.619 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.517 -15.955 -7.531 1.00 0.00 H new ATOM 0 HG SER A 91 2.943 -18.053 -8.677 1.00 0.00 H new ATOM 1471 N HIS A 92 0.942 -17.802 -5.252 1.00 0.00 N ATOM 1472 CA HIS A 92 1.451 -18.516 -4.083 1.00 0.00 C ATOM 1473 C HIS A 92 0.680 -19.811 -3.847 1.00 0.00 C ATOM 1474 O HIS A 92 -0.495 -19.788 -3.479 1.00 0.00 O ATOM 1475 CB HIS A 92 1.368 -17.627 -2.838 1.00 0.00 C ATOM 1476 CG HIS A 92 2.707 -17.211 -2.312 1.00 0.00 C ATOM 1477 ND1 HIS A 92 2.891 -16.681 -1.052 1.00 0.00 N ATOM 1478 CD2 HIS A 92 3.935 -17.249 -2.883 1.00 0.00 C ATOM 1479 CE1 HIS A 92 4.171 -16.409 -0.873 1.00 0.00 C ATOM 1480 NE2 HIS A 92 4.826 -16.746 -1.968 1.00 0.00 N ATOM 0 H HIS A 92 0.228 -17.104 -5.046 1.00 0.00 H new ATOM 0 HA HIS A 92 2.494 -18.769 -4.275 1.00 0.00 H new ATOM 0 HB2 HIS A 92 0.787 -16.736 -3.075 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.829 -18.160 -2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.169 -17.608 -3.874 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.608 -15.983 0.018 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.831 -16.649 -2.111 1.00 0.00 H new ATOM 1489 N GLU A 93 1.363 -20.939 -4.017 1.00 0.00 N ATOM 1490 CA GLU A 93 0.769 -22.249 -3.778 1.00 0.00 C ATOM 1491 C GLU A 93 1.584 -22.984 -2.718 1.00 0.00 C ATOM 1492 O GLU A 93 2.811 -23.020 -2.806 1.00 0.00 O ATOM 1493 CB GLU A 93 0.728 -23.066 -5.071 1.00 0.00 C ATOM 1494 CG GLU A 93 2.104 -23.363 -5.646 1.00 0.00 C ATOM 1495 CD GLU A 93 2.168 -23.152 -7.145 1.00 0.00 C ATOM 1496 OE1 GLU A 93 1.789 -22.054 -7.608 1.00 0.00 O ATOM 1497 OE2 GLU A 93 2.597 -24.083 -7.859 1.00 0.00 O ATOM 0 H GLU A 93 2.336 -20.971 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.254 -22.118 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.212 -24.007 -4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.142 -22.526 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.842 -22.724 -5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.375 -24.393 -5.416 1.00 0.00 H new ATOM 1504 N LEU A 94 0.930 -23.569 -1.719 1.00 0.00 N ATOM 1505 CA LEU A 94 1.653 -24.287 -0.674 1.00 0.00 C ATOM 1506 C LEU A 94 1.243 -25.756 -0.636 1.00 0.00 C ATOM 1507 O LEU A 94 0.025 -26.031 -0.672 1.00 0.00 O ATOM 1508 CB LEU A 94 1.396 -23.641 0.690 1.00 0.00 C ATOM 1509 CG LEU A 94 1.750 -22.154 0.780 1.00 0.00 C ATOM 1510 CD1 LEU A 94 0.692 -21.399 1.571 1.00 0.00 C ATOM 1511 CD2 LEU A 94 3.123 -21.969 1.413 1.00 0.00 C ATOM 1512 OXT LEU A 94 2.143 -26.618 -0.570 1.00 0.00 O ATOM 0 H LEU A 94 -0.084 -23.561 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 94 2.717 -24.231 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.342 -23.764 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.968 -24.181 1.444 1.00 0.00 H new ATOM 0 HG LEU A 94 1.779 -21.747 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.961 -20.344 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.274 -21.503 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.630 -21.809 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.358 -20.906 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.121 -22.393 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.874 -22.475 0.807 1.00 0.00 H new TER 1524 LEU A 94