USER MOD reduce.3.24.130724 H: found=0, std=0, add=1108, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1107 hydrogens (20 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 NoAdj-H: B 170 SEP H2 : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 171 SEP H2 : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 171 SEP H : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 173 SEP H2 : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 173 SEP H : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 174 SEP H2 : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H2 : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 60 MET CE :methyl -178:sc= -0.178 (180deg=-0.0461) USER MOD Set 1.2: A 111 MET CE :methyl 163:sc= -0.809 (180deg=-3.33!) USER MOD Set 2.1: A 74 ASN : amide:sc= -1.08 K(o=-3.3,f=-4.9!) USER MOD Set 2.2: A 76 ASN : amide:sc= -2.2 K(o=-3.3,f=-0.03) USER MOD Set 3.1: A 43 GLN : amide:sc= -1.68 K(o=-1.5,f=0.046) USER MOD Set 3.2: A 115 SER OG : rot 82:sc= 0.172 USER MOD Set 4.1: A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0823) USER MOD Set 4.2: B 183 MET CE :methyl -123:sc= -0.128 (180deg=-0.243) USER MOD Set 5.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 9 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.0197 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00423) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 26 GLN : amide:sc= -0.558 K(o=-0.56,f=-5.8!) USER MOD Single : A 27 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.71) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= -0.0127 (180deg=-0.0942) USER MOD Single : A 49 LYS NZ :NH3+ 149:sc= 0.304 (180deg=-0.184) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0.395 (180deg=0.0759) USER MOD Single : A 57 HIS : no HD1:sc= -0.86 X(o=-0.86,f=-0.91) USER MOD Single : A 59 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.2) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 137:sc= 1.3 (180deg=1.08) USER MOD Single : A 72 GLN : amide:sc= -0.508 K(o=-0.51,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.1) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 86 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0294 USER MOD Single : A 88 MET CE :methyl -177:sc= 0 (180deg=-0.0097) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 96:sc= 0.154 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -12:sc= 1.27 USER MOD Single : A 101 SER OG : rot 94:sc= 1.22 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 34:sc= 1.23 USER MOD Single : A 113 TYR OH : rot -160:sc= 1.18 USER MOD Single : A 116 GLN : amide:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 169 ASN : amide:sc= -0.091 K(o=-0.091,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.602 -27.639 -3.162 1.00 1.24 N ATOM 2 CA GLY A 1 -5.139 -26.497 -3.952 1.00 35.45 C ATOM 3 C GLY A 1 -5.694 -25.204 -3.387 1.00 20.13 C ATOM 4 O GLY A 1 -6.859 -25.142 -2.991 1.00 1.51 O ATOM 0 H1 GLY A 1 -5.754 -28.455 -3.788 1.00 1.24 H new ATOM 0 H2 GLY A 1 -4.886 -27.880 -2.447 1.00 1.24 H new ATOM 0 H3 GLY A 1 -6.495 -27.394 -2.689 1.00 1.24 H new ATOM 0 HA2 GLY A 1 -4.050 -26.464 -3.951 1.00 35.45 H new ATOM 0 HA3 GLY A 1 -5.453 -26.613 -4.989 1.00 35.45 H new ATOM 8 N ALA A 2 -4.841 -24.186 -3.275 1.00 12.32 N ATOM 9 CA ALA A 2 -5.177 -22.862 -2.779 1.00 64.02 C ATOM 10 C ALA A 2 -4.036 -21.931 -3.176 1.00 12.25 C ATOM 11 O ALA A 2 -2.865 -22.282 -3.011 1.00 13.33 O ATOM 12 CB ALA A 2 -5.325 -22.866 -1.254 1.00 31.25 C ATOM 0 H ALA A 2 -3.859 -24.270 -3.539 1.00 12.32 H new ATOM 0 HA ALA A 2 -6.127 -22.536 -3.203 1.00 64.02 H new ATOM 0 HB1 ALA A 2 -5.576 -21.863 -0.910 1.00 31.25 H new ATOM 0 HB2 ALA A 2 -6.118 -23.557 -0.967 1.00 31.25 H new ATOM 0 HB3 ALA A 2 -4.386 -23.181 -0.798 1.00 31.25 H new ATOM 18 N MET A 3 -4.362 -20.749 -3.690 1.00 73.24 N ATOM 19 CA MET A 3 -3.398 -19.738 -4.108 1.00 54.22 C ATOM 20 C MET A 3 -3.816 -18.420 -3.453 1.00 4.42 C ATOM 21 O MET A 3 -5.010 -18.184 -3.240 1.00 63.22 O ATOM 22 CB MET A 3 -3.329 -19.668 -5.643 1.00 72.12 C ATOM 23 CG MET A 3 -2.865 -21.002 -6.249 1.00 43.11 C ATOM 24 SD MET A 3 -2.833 -21.038 -8.058 1.00 33.35 S ATOM 25 CE MET A 3 -2.061 -22.658 -8.306 1.00 14.23 C ATOM 0 H MET A 3 -5.330 -20.461 -3.831 1.00 73.24 H new ATOM 0 HA MET A 3 -2.386 -19.981 -3.786 1.00 54.22 H new ATOM 0 HB2 MET A 3 -4.310 -19.409 -6.041 1.00 72.12 H new ATOM 0 HB3 MET A 3 -2.644 -18.874 -5.941 1.00 72.12 H new ATOM 0 HG2 MET A 3 -1.866 -21.227 -5.877 1.00 43.11 H new ATOM 0 HG3 MET A 3 -3.523 -21.795 -5.895 1.00 43.11 H new ATOM 0 HE1 MET A 3 -1.959 -22.853 -9.374 1.00 14.23 H new ATOM 0 HE2 MET A 3 -1.076 -22.667 -7.840 1.00 14.23 H new ATOM 0 HE3 MET A 3 -2.683 -23.430 -7.854 1.00 14.23 H new ATOM 35 N GLY A 4 -2.846 -17.550 -3.167 1.00 53.11 N ATOM 36 CA GLY A 4 -3.023 -16.257 -2.518 1.00 4.42 C ATOM 37 C GLY A 4 -3.922 -15.331 -3.315 1.00 55.12 C ATOM 38 O GLY A 4 -3.451 -14.695 -4.259 1.00 71.14 O ATOM 0 H GLY A 4 -1.870 -17.740 -3.394 1.00 53.11 H new ATOM 0 HA2 GLY A 4 -3.448 -16.406 -1.525 1.00 4.42 H new ATOM 0 HA3 GLY A 4 -2.050 -15.786 -2.381 1.00 4.42 H new ATOM 42 N LYS A 5 -5.199 -15.245 -2.938 1.00 12.15 N ATOM 43 CA LYS A 5 -6.176 -14.403 -3.620 1.00 20.13 C ATOM 44 C LYS A 5 -5.945 -12.959 -3.231 1.00 24.44 C ATOM 45 O LYS A 5 -6.230 -12.534 -2.108 1.00 24.02 O ATOM 46 CB LYS A 5 -7.587 -14.875 -3.304 1.00 0.15 C ATOM 47 CG LYS A 5 -8.659 -14.453 -4.317 1.00 61.33 C ATOM 48 CD LYS A 5 -8.657 -15.319 -5.587 1.00 52.02 C ATOM 49 CE LYS A 5 -9.099 -16.762 -5.321 1.00 44.31 C ATOM 50 NZ LYS A 5 -9.259 -17.523 -6.575 1.00 32.24 N ATOM 0 H LYS A 5 -5.584 -15.761 -2.147 1.00 12.15 H new ATOM 0 HA LYS A 5 -6.054 -14.480 -4.700 1.00 20.13 H new ATOM 0 HB2 LYS A 5 -7.582 -15.963 -3.236 1.00 0.15 H new ATOM 0 HB3 LYS A 5 -7.869 -14.495 -2.322 1.00 0.15 H new ATOM 0 HG2 LYS A 5 -9.640 -14.511 -3.845 1.00 61.33 H new ATOM 0 HG3 LYS A 5 -8.500 -13.411 -4.594 1.00 61.33 H new ATOM 0 HD2 LYS A 5 -9.320 -14.871 -6.328 1.00 52.02 H new ATOM 0 HD3 LYS A 5 -7.655 -15.324 -6.017 1.00 52.02 H new ATOM 0 HE2 LYS A 5 -8.364 -17.257 -4.686 1.00 44.31 H new ATOM 0 HE3 LYS A 5 -10.042 -16.759 -4.774 1.00 44.31 H new ATOM 0 HZ1 LYS A 5 -9.559 -18.494 -6.356 1.00 32.24 H new ATOM 0 HZ2 LYS A 5 -9.979 -17.065 -7.170 1.00 32.24 H new ATOM 0 HZ3 LYS A 5 -8.353 -17.547 -7.085 1.00 32.24 H new ATOM 64 N THR A 6 -5.381 -12.228 -4.171 1.00 33.21 N ATOM 65 CA THR A 6 -5.065 -10.822 -3.991 1.00 41.31 C ATOM 66 C THR A 6 -6.330 -9.969 -4.014 1.00 24.31 C ATOM 67 O THR A 6 -7.407 -10.408 -4.437 1.00 4.03 O ATOM 68 CB THR A 6 -4.076 -10.335 -5.057 1.00 61.14 C ATOM 69 OG1 THR A 6 -4.631 -10.471 -6.348 1.00 50.41 O ATOM 70 CG2 THR A 6 -2.736 -11.065 -4.975 1.00 64.43 C ATOM 0 H THR A 6 -5.126 -12.594 -5.089 1.00 33.21 H new ATOM 0 HA THR A 6 -4.594 -10.715 -3.014 1.00 41.31 H new ATOM 0 HB THR A 6 -3.885 -9.280 -4.861 1.00 61.14 H new ATOM 0 HG1 THR A 6 -3.987 -10.154 -7.016 1.00 50.41 H new ATOM 0 HG21 THR A 6 -2.068 -10.687 -5.749 1.00 64.43 H new ATOM 0 HG22 THR A 6 -2.289 -10.896 -3.995 1.00 64.43 H new ATOM 0 HG23 THR A 6 -2.894 -12.133 -5.122 1.00 64.43 H new ATOM 78 N PHE A 7 -6.186 -8.703 -3.618 1.00 64.43 N ATOM 79 CA PHE A 7 -7.284 -7.757 -3.592 1.00 3.11 C ATOM 80 C PHE A 7 -7.884 -7.575 -4.987 1.00 70.40 C ATOM 81 O PHE A 7 -9.105 -7.536 -5.080 1.00 64.50 O ATOM 82 CB PHE A 7 -6.850 -6.411 -2.997 1.00 23.31 C ATOM 83 CG PHE A 7 -6.254 -5.408 -3.970 1.00 65.51 C ATOM 84 CD1 PHE A 7 -4.907 -5.502 -4.365 1.00 10.13 C ATOM 85 CD2 PHE A 7 -7.059 -4.385 -4.506 1.00 13.13 C ATOM 86 CE1 PHE A 7 -4.366 -4.547 -5.243 1.00 1.24 C ATOM 87 CE2 PHE A 7 -6.508 -3.415 -5.361 1.00 70.52 C ATOM 88 CZ PHE A 7 -5.156 -3.489 -5.721 1.00 45.33 C ATOM 0 H PHE A 7 -5.297 -8.311 -3.306 1.00 64.43 H new ATOM 0 HA PHE A 7 -8.058 -8.168 -2.944 1.00 3.11 H new ATOM 0 HB2 PHE A 7 -7.716 -5.952 -2.520 1.00 23.31 H new ATOM 0 HB3 PHE A 7 -6.118 -6.603 -2.212 1.00 23.31 H new ATOM 0 HD1 PHE A 7 -4.290 -6.307 -3.994 1.00 10.13 H new ATOM 0 HD2 PHE A 7 -8.109 -4.345 -4.258 1.00 13.13 H new ATOM 0 HE1 PHE A 7 -3.334 -4.628 -5.553 1.00 1.24 H new ATOM 0 HE2 PHE A 7 -7.126 -2.614 -5.740 1.00 70.52 H new ATOM 0 HZ PHE A 7 -4.723 -2.736 -6.363 1.00 45.33 H new ATOM 98 N LYS A 8 -7.081 -7.559 -6.064 1.00 63.53 N ATOM 99 CA LYS A 8 -7.632 -7.383 -7.409 1.00 53.11 C ATOM 100 C LYS A 8 -8.511 -8.564 -7.800 1.00 63.12 C ATOM 101 O LYS A 8 -9.449 -8.398 -8.571 1.00 1.33 O ATOM 102 CB LYS A 8 -6.558 -7.063 -8.456 1.00 23.23 C ATOM 103 CG LYS A 8 -5.689 -5.872 -8.022 1.00 33.35 C ATOM 104 CD LYS A 8 -5.224 -4.942 -9.151 1.00 42.41 C ATOM 105 CE LYS A 8 -4.372 -5.611 -10.231 1.00 2.24 C ATOM 106 NZ LYS A 8 -3.188 -6.302 -9.687 1.00 62.41 N ATOM 0 H LYS A 8 -6.067 -7.664 -6.028 1.00 63.53 H new ATOM 0 HA LYS A 8 -8.273 -6.502 -7.382 1.00 53.11 H new ATOM 0 HB2 LYS A 8 -5.927 -7.938 -8.611 1.00 23.23 H new ATOM 0 HB3 LYS A 8 -7.034 -6.839 -9.411 1.00 23.23 H new ATOM 0 HG2 LYS A 8 -6.250 -5.282 -7.297 1.00 33.35 H new ATOM 0 HG3 LYS A 8 -4.809 -6.257 -7.507 1.00 33.35 H new ATOM 0 HD2 LYS A 8 -6.102 -4.502 -9.623 1.00 42.41 H new ATOM 0 HD3 LYS A 8 -4.653 -4.123 -8.714 1.00 42.41 H new ATOM 0 HE2 LYS A 8 -4.985 -6.328 -10.777 1.00 2.24 H new ATOM 0 HE3 LYS A 8 -4.048 -4.857 -10.949 1.00 2.24 H new ATOM 0 HZ1 LYS A 8 -2.633 -6.706 -10.468 1.00 62.41 H new ATOM 0 HZ2 LYS A 8 -2.602 -5.624 -9.160 1.00 62.41 H new ATOM 0 HZ3 LYS A 8 -3.494 -7.064 -9.049 1.00 62.41 H new ATOM 120 N GLN A 9 -8.252 -9.764 -7.281 1.00 61.40 N ATOM 121 CA GLN A 9 -9.119 -10.893 -7.584 1.00 70.42 C ATOM 122 C GLN A 9 -10.340 -10.804 -6.653 1.00 11.14 C ATOM 123 O GLN A 9 -11.446 -11.156 -7.069 1.00 52.44 O ATOM 124 CB GLN A 9 -8.365 -12.222 -7.467 1.00 13.24 C ATOM 125 CG GLN A 9 -7.780 -12.686 -8.806 1.00 73.43 C ATOM 126 CD GLN A 9 -6.466 -11.985 -9.103 1.00 33.45 C ATOM 127 OE1 GLN A 9 -6.399 -11.027 -9.876 1.00 13.42 O ATOM 128 NE2 GLN A 9 -5.419 -12.444 -8.444 1.00 73.13 N ATOM 0 H GLN A 9 -7.467 -9.973 -6.664 1.00 61.40 H new ATOM 0 HA GLN A 9 -9.461 -10.854 -8.618 1.00 70.42 H new ATOM 0 HB2 GLN A 9 -7.560 -12.116 -6.740 1.00 13.24 H new ATOM 0 HB3 GLN A 9 -9.041 -12.987 -7.085 1.00 13.24 H new ATOM 0 HG2 GLN A 9 -7.623 -13.764 -8.783 1.00 73.43 H new ATOM 0 HG3 GLN A 9 -8.492 -12.484 -9.606 1.00 73.43 H new ATOM 0 HE21 GLN A 9 -5.521 -13.240 -7.814 1.00 73.13 H new ATOM 0 HE22 GLN A 9 -4.507 -12.003 -8.564 1.00 73.13 H new ATOM 137 N ARG A 10 -10.182 -10.292 -5.418 1.00 31.52 N ATOM 138 CA ARG A 10 -11.273 -10.142 -4.444 1.00 64.24 C ATOM 139 C ARG A 10 -12.187 -8.953 -4.774 1.00 34.44 C ATOM 140 O ARG A 10 -13.302 -8.902 -4.272 1.00 24.42 O ATOM 141 CB ARG A 10 -10.736 -10.102 -2.982 1.00 61.14 C ATOM 142 CG ARG A 10 -10.832 -8.753 -2.228 1.00 22.13 C ATOM 143 CD ARG A 10 -10.130 -8.719 -0.858 1.00 5.45 C ATOM 144 NE ARG A 10 -10.773 -9.602 0.133 1.00 33.21 N ATOM 145 CZ ARG A 10 -11.401 -9.236 1.267 1.00 74.20 C ATOM 146 NH1 ARG A 10 -11.386 -7.995 1.728 1.00 3.35 N ATOM 147 NH2 ARG A 10 -12.056 -10.133 1.986 1.00 10.12 N ATOM 0 H ARG A 10 -9.281 -9.968 -5.067 1.00 31.52 H new ATOM 0 HA ARG A 10 -11.899 -11.031 -4.522 1.00 64.24 H new ATOM 0 HB2 ARG A 10 -11.276 -10.851 -2.403 1.00 61.14 H new ATOM 0 HB3 ARG A 10 -9.689 -10.406 -2.998 1.00 61.14 H new ATOM 0 HG2 ARG A 10 -10.405 -7.972 -2.857 1.00 22.13 H new ATOM 0 HG3 ARG A 10 -11.885 -8.508 -2.086 1.00 22.13 H new ATOM 0 HD2 ARG A 10 -9.088 -9.015 -0.981 1.00 5.45 H new ATOM 0 HD3 ARG A 10 -10.128 -7.696 -0.480 1.00 5.45 H new ATOM 0 HE ARG A 10 -10.738 -10.603 -0.062 1.00 33.21 H new ATOM 0 HH11 ARG A 10 -10.883 -7.268 1.219 1.00 3.35 H new ATOM 0 HH12 ARG A 10 -11.877 -7.766 2.592 1.00 3.35 H new ATOM 0 HH21 ARG A 10 -12.087 -11.106 1.682 1.00 10.12 H new ATOM 0 HH22 ARG A 10 -12.530 -9.851 2.844 1.00 10.12 H new ATOM 161 N ARG A 11 -11.764 -8.007 -5.615 1.00 52.33 N ATOM 162 CA ARG A 11 -12.504 -6.813 -6.019 1.00 72.31 C ATOM 163 C ARG A 11 -12.308 -6.627 -7.517 1.00 24.54 C ATOM 164 O ARG A 11 -11.188 -6.349 -7.953 1.00 61.33 O ATOM 165 CB ARG A 11 -11.993 -5.553 -5.275 1.00 63.43 C ATOM 166 CG ARG A 11 -12.359 -5.472 -3.783 1.00 65.22 C ATOM 167 CD ARG A 11 -13.753 -4.882 -3.556 1.00 54.44 C ATOM 168 NE ARG A 11 -14.173 -5.027 -2.155 1.00 13.32 N ATOM 169 CZ ARG A 11 -14.962 -4.188 -1.470 1.00 74.44 C ATOM 170 NH1 ARG A 11 -15.321 -2.998 -1.938 1.00 62.34 N ATOM 171 NH2 ARG A 11 -15.407 -4.571 -0.284 1.00 1.54 N ATOM 0 H ARG A 11 -10.846 -8.058 -6.056 1.00 52.33 H new ATOM 0 HA ARG A 11 -13.557 -6.942 -5.770 1.00 72.31 H new ATOM 0 HB2 ARG A 11 -10.908 -5.513 -5.368 1.00 63.43 H new ATOM 0 HB3 ARG A 11 -12.389 -4.670 -5.777 1.00 63.43 H new ATOM 0 HG2 ARG A 11 -12.314 -6.469 -3.346 1.00 65.22 H new ATOM 0 HG3 ARG A 11 -11.620 -4.862 -3.263 1.00 65.22 H new ATOM 0 HD2 ARG A 11 -13.753 -3.827 -3.830 1.00 54.44 H new ATOM 0 HD3 ARG A 11 -14.472 -5.380 -4.207 1.00 54.44 H new ATOM 0 HE ARG A 11 -13.830 -5.847 -1.655 1.00 13.32 H new ATOM 0 HH11 ARG A 11 -14.994 -2.690 -2.854 1.00 62.34 H new ATOM 0 HH12 ARG A 11 -15.924 -2.392 -1.382 1.00 62.34 H new ATOM 0 HH21 ARG A 11 -15.148 -5.485 0.087 1.00 1.54 H new ATOM 0 HH22 ARG A 11 -16.009 -3.952 0.259 1.00 1.54 H new ATOM 185 N THR A 12 -13.354 -6.795 -8.315 1.00 72.41 N ATOM 186 CA THR A 12 -13.314 -6.619 -9.765 1.00 43.32 C ATOM 187 C THR A 12 -12.925 -5.160 -10.073 1.00 32.11 C ATOM 188 O THR A 12 -13.018 -4.309 -9.190 1.00 34.35 O ATOM 189 CB THR A 12 -14.688 -7.021 -10.330 1.00 43.30 C ATOM 190 OG1 THR A 12 -14.642 -7.112 -11.741 1.00 23.22 O ATOM 191 CG2 THR A 12 -15.824 -6.078 -9.907 1.00 21.31 C ATOM 0 H THR A 12 -14.275 -7.063 -7.967 1.00 72.41 H new ATOM 0 HA THR A 12 -12.566 -7.252 -10.242 1.00 43.32 H new ATOM 0 HB THR A 12 -14.912 -7.998 -9.902 1.00 43.30 H new ATOM 0 HG1 THR A 12 -15.524 -7.370 -12.081 1.00 23.22 H new ATOM 0 HG21 THR A 12 -16.763 -6.422 -10.341 1.00 21.31 H new ATOM 0 HG22 THR A 12 -15.907 -6.073 -8.820 1.00 21.31 H new ATOM 0 HG23 THR A 12 -15.609 -5.069 -10.259 1.00 21.31 H new ATOM 199 N PHE A 13 -12.534 -4.834 -11.309 1.00 44.44 N ATOM 200 CA PHE A 13 -12.131 -3.480 -11.706 1.00 41.30 C ATOM 201 C PHE A 13 -13.150 -2.416 -11.293 1.00 61.21 C ATOM 202 O PHE A 13 -12.761 -1.402 -10.720 1.00 65.50 O ATOM 203 CB PHE A 13 -11.862 -3.424 -13.210 1.00 65.22 C ATOM 204 CG PHE A 13 -11.299 -2.102 -13.701 1.00 10.22 C ATOM 205 CD1 PHE A 13 -9.920 -1.843 -13.609 1.00 24.14 C ATOM 206 CD2 PHE A 13 -12.145 -1.132 -14.273 1.00 54.01 C ATOM 207 CE1 PHE A 13 -9.393 -0.624 -14.062 1.00 50.24 C ATOM 208 CE2 PHE A 13 -11.611 0.083 -14.742 1.00 11.13 C ATOM 209 CZ PHE A 13 -10.237 0.346 -14.618 1.00 51.33 C ATOM 0 H PHE A 13 -12.488 -5.510 -12.071 1.00 44.44 H new ATOM 0 HA PHE A 13 -11.209 -3.250 -11.172 1.00 41.30 H new ATOM 0 HB2 PHE A 13 -11.165 -4.220 -13.471 1.00 65.22 H new ATOM 0 HB3 PHE A 13 -12.792 -3.627 -13.740 1.00 65.22 H new ATOM 0 HD1 PHE A 13 -9.262 -2.588 -13.187 1.00 24.14 H new ATOM 0 HD2 PHE A 13 -13.205 -1.321 -14.352 1.00 54.01 H new ATOM 0 HE1 PHE A 13 -8.333 -0.433 -13.982 1.00 50.24 H new ATOM 0 HE2 PHE A 13 -12.260 0.815 -15.199 1.00 11.13 H new ATOM 0 HZ PHE A 13 -9.833 1.291 -14.950 1.00 51.33 H new ATOM 219 N GLU A 14 -14.444 -2.666 -11.514 1.00 22.54 N ATOM 220 CA GLU A 14 -15.517 -1.736 -11.158 1.00 52.21 C ATOM 221 C GLU A 14 -15.473 -1.423 -9.665 1.00 25.34 C ATOM 222 O GLU A 14 -15.628 -0.280 -9.240 1.00 44.33 O ATOM 223 CB GLU A 14 -16.889 -2.356 -11.458 1.00 4.24 C ATOM 224 CG GLU A 14 -17.068 -2.800 -12.906 1.00 30.52 C ATOM 225 CD GLU A 14 -18.419 -3.489 -13.066 1.00 12.23 C ATOM 226 OE1 GLU A 14 -18.554 -4.661 -12.630 1.00 54.41 O ATOM 227 OE2 GLU A 14 -19.357 -2.891 -13.642 1.00 34.44 O ATOM 0 H GLU A 14 -14.778 -3.526 -11.948 1.00 22.54 H new ATOM 0 HA GLU A 14 -15.374 -0.829 -11.745 1.00 52.21 H new ATOM 0 HB2 GLU A 14 -17.038 -3.216 -10.805 1.00 4.24 H new ATOM 0 HB3 GLU A 14 -17.665 -1.631 -11.213 1.00 4.24 H new ATOM 0 HG2 GLU A 14 -17.006 -1.939 -13.571 1.00 30.52 H new ATOM 0 HG3 GLU A 14 -16.265 -3.480 -13.190 1.00 30.52 H new ATOM 234 N GLN A 15 -15.310 -2.462 -8.845 1.00 32.55 N ATOM 235 CA GLN A 15 -15.246 -2.319 -7.403 1.00 44.10 C ATOM 236 C GLN A 15 -13.918 -1.664 -7.023 1.00 22.55 C ATOM 237 O GLN A 15 -13.900 -0.867 -6.104 1.00 13.23 O ATOM 238 CB GLN A 15 -15.500 -3.671 -6.719 1.00 50.22 C ATOM 239 CG GLN A 15 -16.992 -4.036 -6.842 1.00 34.54 C ATOM 240 CD GLN A 15 -17.366 -5.415 -6.294 1.00 63.34 C ATOM 241 OE1 GLN A 15 -16.533 -6.171 -5.793 1.00 12.44 O ATOM 242 NE2 GLN A 15 -18.626 -5.791 -6.426 1.00 30.25 N ATOM 0 H GLN A 15 -15.219 -3.425 -9.169 1.00 32.55 H new ATOM 0 HA GLN A 15 -16.036 -1.660 -7.043 1.00 44.10 H new ATOM 0 HB2 GLN A 15 -14.886 -4.445 -7.180 1.00 50.22 H new ATOM 0 HB3 GLN A 15 -15.213 -3.619 -5.669 1.00 50.22 H new ATOM 0 HG2 GLN A 15 -17.580 -3.282 -6.319 1.00 34.54 H new ATOM 0 HG3 GLN A 15 -17.277 -3.989 -7.893 1.00 34.54 H new ATOM 0 HE21 GLN A 15 -19.307 -5.156 -6.843 1.00 30.25 H new ATOM 0 HE22 GLN A 15 -18.918 -6.716 -6.111 1.00 30.25 H new ATOM 251 N ARG A 16 -12.812 -1.913 -7.733 1.00 45.43 N ATOM 252 CA ARG A 16 -11.520 -1.296 -7.422 1.00 4.35 C ATOM 253 C ARG A 16 -11.614 0.209 -7.625 1.00 64.43 C ATOM 254 O ARG A 16 -11.215 0.957 -6.741 1.00 1.45 O ATOM 255 CB ARG A 16 -10.387 -1.901 -8.263 1.00 44.41 C ATOM 256 CG ARG A 16 -10.030 -3.304 -7.764 1.00 32.14 C ATOM 257 CD ARG A 16 -8.897 -3.945 -8.568 1.00 5.11 C ATOM 258 NE ARG A 16 -9.351 -4.905 -9.589 1.00 45.44 N ATOM 259 CZ ARG A 16 -8.876 -5.004 -10.841 1.00 45.10 C ATOM 260 NH1 ARG A 16 -8.095 -4.072 -11.365 1.00 52.40 N ATOM 261 NH2 ARG A 16 -9.173 -6.044 -11.599 1.00 4.22 N ATOM 0 H ARG A 16 -12.788 -2.544 -8.534 1.00 45.43 H new ATOM 0 HA ARG A 16 -11.280 -1.499 -6.378 1.00 4.35 H new ATOM 0 HB2 ARG A 16 -10.690 -1.948 -9.309 1.00 44.41 H new ATOM 0 HB3 ARG A 16 -9.508 -1.258 -8.214 1.00 44.41 H new ATOM 0 HG2 ARG A 16 -9.740 -3.249 -6.715 1.00 32.14 H new ATOM 0 HG3 ARG A 16 -10.913 -3.940 -7.818 1.00 32.14 H new ATOM 0 HD2 ARG A 16 -8.322 -3.158 -9.055 1.00 5.11 H new ATOM 0 HD3 ARG A 16 -8.222 -4.455 -7.881 1.00 5.11 H new ATOM 0 HE ARG A 16 -10.092 -5.552 -9.321 1.00 45.44 H new ATOM 0 HH11 ARG A 16 -7.839 -3.252 -10.815 1.00 52.40 H new ATOM 0 HH12 ARG A 16 -7.749 -4.174 -12.319 1.00 52.40 H new ATOM 0 HH21 ARG A 16 -9.771 -6.786 -11.235 1.00 4.22 H new ATOM 0 HH22 ARG A 16 -8.805 -6.105 -12.548 1.00 4.22 H new ATOM 275 N VAL A 17 -12.131 0.655 -8.769 1.00 5.44 N ATOM 276 CA VAL A 17 -12.296 2.073 -9.079 1.00 21.44 C ATOM 277 C VAL A 17 -13.214 2.686 -8.013 1.00 14.12 C ATOM 278 O VAL A 17 -12.955 3.786 -7.513 1.00 43.14 O ATOM 279 CB VAL A 17 -12.839 2.191 -10.517 1.00 33.42 C ATOM 280 CG1 VAL A 17 -13.252 3.620 -10.896 1.00 45.04 C ATOM 281 CG2 VAL A 17 -11.785 1.710 -11.531 1.00 13.22 C ATOM 0 H VAL A 17 -12.450 0.035 -9.514 1.00 5.44 H new ATOM 0 HA VAL A 17 -11.358 2.627 -9.050 1.00 21.44 H new ATOM 0 HB VAL A 17 -13.729 1.563 -10.549 1.00 33.42 H new ATOM 0 HG11 VAL A 17 -13.625 3.631 -11.920 1.00 45.04 H new ATOM 0 HG12 VAL A 17 -14.036 3.963 -10.221 1.00 45.04 H new ATOM 0 HG13 VAL A 17 -12.389 4.281 -10.816 1.00 45.04 H new ATOM 0 HG21 VAL A 17 -12.184 1.800 -12.541 1.00 13.22 H new ATOM 0 HG22 VAL A 17 -10.887 2.321 -11.440 1.00 13.22 H new ATOM 0 HG23 VAL A 17 -11.536 0.668 -11.331 1.00 13.22 H new ATOM 291 N GLU A 18 -14.286 1.973 -7.655 1.00 61.11 N ATOM 292 CA GLU A 18 -15.229 2.410 -6.642 1.00 11.11 C ATOM 293 C GLU A 18 -14.524 2.509 -5.282 1.00 34.12 C ATOM 294 O GLU A 18 -14.764 3.464 -4.550 1.00 13.11 O ATOM 295 CB GLU A 18 -16.428 1.469 -6.649 1.00 33.13 C ATOM 296 CG GLU A 18 -17.590 1.936 -5.776 1.00 32.24 C ATOM 297 CD GLU A 18 -18.887 1.349 -6.323 1.00 41.32 C ATOM 298 OE1 GLU A 18 -19.064 0.109 -6.319 1.00 13.33 O ATOM 299 OE2 GLU A 18 -19.678 2.110 -6.923 1.00 54.12 O ATOM 0 H GLU A 18 -14.518 1.070 -8.068 1.00 61.11 H new ATOM 0 HA GLU A 18 -15.606 3.410 -6.857 1.00 11.11 H new ATOM 0 HB2 GLU A 18 -16.781 1.354 -7.674 1.00 33.13 H new ATOM 0 HB3 GLU A 18 -16.106 0.484 -6.311 1.00 33.13 H new ATOM 0 HG2 GLU A 18 -17.438 1.618 -4.745 1.00 32.24 H new ATOM 0 HG3 GLU A 18 -17.642 3.025 -5.769 1.00 32.24 H new ATOM 306 N ASP A 19 -13.583 1.609 -4.985 1.00 74.42 N ATOM 307 CA ASP A 19 -12.832 1.621 -3.738 1.00 70.22 C ATOM 308 C ASP A 19 -11.994 2.902 -3.719 1.00 34.15 C ATOM 309 O ASP A 19 -11.810 3.498 -2.658 1.00 74.32 O ATOM 310 CB ASP A 19 -11.888 0.407 -3.542 1.00 34.22 C ATOM 311 CG ASP A 19 -12.500 -1.002 -3.509 1.00 10.25 C ATOM 312 OD1 ASP A 19 -13.622 -1.191 -3.002 1.00 71.33 O ATOM 313 OD2 ASP A 19 -11.777 -1.938 -3.940 1.00 62.03 O ATOM 0 H ASP A 19 -13.323 0.848 -5.612 1.00 74.42 H new ATOM 0 HA ASP A 19 -13.557 1.570 -2.926 1.00 70.22 H new ATOM 0 HB2 ASP A 19 -11.150 0.429 -4.344 1.00 34.22 H new ATOM 0 HB3 ASP A 19 -11.348 0.555 -2.607 1.00 34.22 H new ATOM 318 N VAL A 20 -11.434 3.333 -4.859 1.00 64.10 N ATOM 319 CA VAL A 20 -10.640 4.559 -4.907 1.00 52.20 C ATOM 320 C VAL A 20 -11.529 5.752 -4.568 1.00 51.50 C ATOM 321 O VAL A 20 -11.301 6.388 -3.537 1.00 30.34 O ATOM 322 CB VAL A 20 -9.849 4.731 -6.219 1.00 5.33 C ATOM 323 CG1 VAL A 20 -8.916 5.942 -6.093 1.00 5.43 C ATOM 324 CG2 VAL A 20 -8.937 3.526 -6.468 1.00 64.50 C ATOM 0 H VAL A 20 -11.518 2.850 -5.753 1.00 64.10 H new ATOM 0 HA VAL A 20 -9.860 4.490 -4.149 1.00 52.20 H new ATOM 0 HB VAL A 20 -10.572 4.845 -7.026 1.00 5.33 H new ATOM 0 HG11 VAL A 20 -8.355 6.067 -7.019 1.00 5.43 H new ATOM 0 HG12 VAL A 20 -9.507 6.838 -5.903 1.00 5.43 H new ATOM 0 HG13 VAL A 20 -8.223 5.783 -5.267 1.00 5.43 H new ATOM 0 HG21 VAL A 20 -8.389 3.670 -7.399 1.00 64.50 H new ATOM 0 HG22 VAL A 20 -8.231 3.427 -5.643 1.00 64.50 H new ATOM 0 HG23 VAL A 20 -9.541 2.621 -6.539 1.00 64.50 H new ATOM 334 N ARG A 21 -12.570 6.037 -5.359 1.00 65.44 N ATOM 335 CA ARG A 21 -13.443 7.188 -5.084 1.00 71.21 C ATOM 336 C ARG A 21 -14.075 7.141 -3.692 1.00 73.25 C ATOM 337 O ARG A 21 -14.220 8.194 -3.068 1.00 13.20 O ATOM 338 CB ARG A 21 -14.531 7.345 -6.169 1.00 54.25 C ATOM 339 CG ARG A 21 -15.437 6.116 -6.335 1.00 52.03 C ATOM 340 CD ARG A 21 -16.693 6.140 -5.451 1.00 52.12 C ATOM 341 NE ARG A 21 -17.781 6.868 -6.107 1.00 5.14 N ATOM 342 CZ ARG A 21 -18.662 6.361 -6.971 1.00 2.34 C ATOM 343 NH1 ARG A 21 -18.618 5.073 -7.285 1.00 34.13 N ATOM 344 NH2 ARG A 21 -19.570 7.152 -7.520 1.00 14.24 N ATOM 0 H ARG A 21 -12.828 5.496 -6.184 1.00 65.44 H new ATOM 0 HA ARG A 21 -12.797 8.066 -5.109 1.00 71.21 H new ATOM 0 HB2 ARG A 21 -15.150 8.208 -5.925 1.00 54.25 H new ATOM 0 HB3 ARG A 21 -14.049 7.558 -7.123 1.00 54.25 H new ATOM 0 HG2 ARG A 21 -15.742 6.041 -7.379 1.00 52.03 H new ATOM 0 HG3 ARG A 21 -14.861 5.219 -6.105 1.00 52.03 H new ATOM 0 HD2 ARG A 21 -17.011 5.120 -5.236 1.00 52.12 H new ATOM 0 HD3 ARG A 21 -16.461 6.609 -4.495 1.00 52.12 H new ATOM 0 HE ARG A 21 -17.874 7.858 -5.882 1.00 5.14 H new ATOM 0 HH11 ARG A 21 -17.910 4.470 -6.866 1.00 34.13 H new ATOM 0 HH12 ARG A 21 -19.292 4.686 -7.946 1.00 34.13 H new ATOM 0 HH21 ARG A 21 -19.594 8.144 -7.282 1.00 14.24 H new ATOM 0 HH22 ARG A 21 -20.246 6.770 -8.181 1.00 14.24 H new ATOM 358 N LEU A 22 -14.445 5.954 -3.199 1.00 62.42 N ATOM 359 CA LEU A 22 -15.074 5.792 -1.894 1.00 73.05 C ATOM 360 C LEU A 22 -14.101 6.239 -0.815 1.00 63.12 C ATOM 361 O LEU A 22 -14.453 7.078 0.017 1.00 25.03 O ATOM 362 CB LEU A 22 -15.574 4.344 -1.722 1.00 13.12 C ATOM 363 CG LEU A 22 -16.501 4.052 -0.527 1.00 63.03 C ATOM 364 CD1 LEU A 22 -15.779 3.941 0.815 1.00 50.40 C ATOM 365 CD2 LEU A 22 -17.622 5.087 -0.411 1.00 5.42 C ATOM 0 H LEU A 22 -14.313 5.076 -3.702 1.00 62.42 H new ATOM 0 HA LEU A 22 -15.958 6.424 -1.807 1.00 73.05 H new ATOM 0 HB2 LEU A 22 -16.099 4.058 -2.633 1.00 13.12 H new ATOM 0 HB3 LEU A 22 -14.703 3.694 -1.639 1.00 13.12 H new ATOM 0 HG LEU A 22 -16.923 3.072 -0.747 1.00 63.03 H new ATOM 0 HD11 LEU A 22 -16.504 3.735 1.602 1.00 50.40 H new ATOM 0 HD12 LEU A 22 -15.051 3.131 0.771 1.00 50.40 H new ATOM 0 HD13 LEU A 22 -15.266 4.878 1.031 1.00 50.40 H new ATOM 0 HD21 LEU A 22 -18.253 4.845 0.444 1.00 5.42 H new ATOM 0 HD22 LEU A 22 -17.189 6.078 -0.274 1.00 5.42 H new ATOM 0 HD23 LEU A 22 -18.223 5.076 -1.320 1.00 5.42 H new ATOM 377 N ILE A 23 -12.866 5.729 -0.851 1.00 52.52 N ATOM 378 CA ILE A 23 -11.835 6.098 0.113 1.00 21.14 C ATOM 379 C ILE A 23 -11.551 7.593 -0.012 1.00 30.10 C ATOM 380 O ILE A 23 -11.375 8.270 1.000 1.00 65.31 O ATOM 381 CB ILE A 23 -10.591 5.203 -0.055 1.00 22.21 C ATOM 382 CG1 ILE A 23 -10.643 4.010 0.921 1.00 32.22 C ATOM 383 CG2 ILE A 23 -9.255 5.939 0.117 1.00 25.04 C ATOM 384 CD1 ILE A 23 -11.741 2.988 0.594 1.00 43.34 C ATOM 0 H ILE A 23 -12.558 5.051 -1.548 1.00 52.52 H new ATOM 0 HA ILE A 23 -12.178 5.924 1.133 1.00 21.14 H new ATOM 0 HB ILE A 23 -10.627 4.856 -1.088 1.00 22.21 H new ATOM 0 HG12 ILE A 23 -9.677 3.505 0.915 1.00 32.22 H new ATOM 0 HG13 ILE A 23 -10.800 4.386 1.932 1.00 32.22 H new ATOM 0 HG21 ILE A 23 -8.433 5.236 -0.017 1.00 25.04 H new ATOM 0 HG22 ILE A 23 -9.179 6.733 -0.626 1.00 25.04 H new ATOM 0 HG23 ILE A 23 -9.204 6.371 1.116 1.00 25.04 H new ATOM 0 HD11 ILE A 23 -11.714 2.179 1.324 1.00 43.34 H new ATOM 0 HD12 ILE A 23 -12.715 3.476 0.629 1.00 43.34 H new ATOM 0 HD13 ILE A 23 -11.575 2.582 -0.404 1.00 43.34 H new ATOM 396 N ARG A 24 -11.528 8.126 -1.235 1.00 50.23 N ATOM 397 CA ARG A 24 -11.285 9.545 -1.459 1.00 24.12 C ATOM 398 C ARG A 24 -12.403 10.370 -0.828 1.00 33.12 C ATOM 399 O ARG A 24 -12.149 11.494 -0.424 1.00 43.54 O ATOM 400 CB ARG A 24 -11.131 9.837 -2.959 1.00 74.12 C ATOM 401 CG ARG A 24 -9.991 9.053 -3.644 1.00 24.41 C ATOM 402 CD ARG A 24 -8.811 9.923 -4.046 1.00 33.23 C ATOM 403 NE ARG A 24 -8.041 10.354 -2.866 1.00 31.21 N ATOM 404 CZ ARG A 24 -7.493 11.563 -2.698 1.00 12.40 C ATOM 405 NH1 ARG A 24 -7.514 12.454 -3.677 1.00 74.11 N ATOM 406 NH2 ARG A 24 -6.935 11.896 -1.544 1.00 11.23 N ATOM 0 H ARG A 24 -11.676 7.588 -2.089 1.00 50.23 H new ATOM 0 HA ARG A 24 -10.349 9.830 -0.979 1.00 24.12 H new ATOM 0 HB2 ARG A 24 -12.070 9.603 -3.461 1.00 74.12 H new ATOM 0 HB3 ARG A 24 -10.954 10.904 -3.093 1.00 74.12 H new ATOM 0 HG2 ARG A 24 -9.642 8.271 -2.969 1.00 24.41 H new ATOM 0 HG3 ARG A 24 -10.385 8.556 -4.531 1.00 24.41 H new ATOM 0 HD2 ARG A 24 -8.162 9.369 -4.725 1.00 33.23 H new ATOM 0 HD3 ARG A 24 -9.169 10.797 -4.589 1.00 33.23 H new ATOM 0 HE ARG A 24 -7.915 9.675 -2.115 1.00 31.21 H new ATOM 0 HH11 ARG A 24 -7.951 12.221 -4.569 1.00 74.11 H new ATOM 0 HH12 ARG A 24 -7.094 13.373 -3.539 1.00 74.11 H new ATOM 0 HH21 ARG A 24 -6.920 11.228 -0.773 1.00 11.23 H new ATOM 0 HH22 ARG A 24 -6.520 12.820 -1.426 1.00 11.23 H new ATOM 420 N GLU A 25 -13.626 9.843 -0.730 1.00 30.20 N ATOM 421 CA GLU A 25 -14.744 10.558 -0.135 1.00 31.41 C ATOM 422 C GLU A 25 -14.721 10.511 1.390 1.00 4.14 C ATOM 423 O GLU A 25 -14.863 11.546 2.033 1.00 61.31 O ATOM 424 CB GLU A 25 -16.083 10.025 -0.679 1.00 70.01 C ATOM 425 CG GLU A 25 -17.198 11.068 -0.506 1.00 72.05 C ATOM 426 CD GLU A 25 -16.838 12.378 -1.211 1.00 73.13 C ATOM 427 OE1 GLU A 25 -16.409 12.322 -2.389 1.00 33.21 O ATOM 428 OE2 GLU A 25 -16.875 13.462 -0.582 1.00 30.41 O ATOM 0 H GLU A 25 -13.863 8.908 -1.063 1.00 30.20 H new ATOM 0 HA GLU A 25 -14.641 11.605 -0.421 1.00 31.41 H new ATOM 0 HB2 GLU A 25 -15.977 9.772 -1.734 1.00 70.01 H new ATOM 0 HB3 GLU A 25 -16.353 9.107 -0.156 1.00 70.01 H new ATOM 0 HG2 GLU A 25 -18.132 10.678 -0.911 1.00 72.05 H new ATOM 0 HG3 GLU A 25 -17.364 11.255 0.555 1.00 72.05 H new ATOM 435 N GLN A 26 -14.570 9.321 1.981 1.00 12.14 N ATOM 436 CA GLN A 26 -14.552 9.176 3.438 1.00 33.00 C ATOM 437 C GLN A 26 -13.248 9.710 4.048 1.00 65.04 C ATOM 438 O GLN A 26 -13.255 10.205 5.171 1.00 51.23 O ATOM 439 CB GLN A 26 -14.811 7.702 3.827 1.00 10.10 C ATOM 440 CG GLN A 26 -13.652 6.783 3.427 1.00 42.24 C ATOM 441 CD GLN A 26 -13.913 5.279 3.466 1.00 21.42 C ATOM 442 OE1 GLN A 26 -13.282 4.529 2.737 1.00 23.31 O ATOM 443 NE2 GLN A 26 -14.793 4.764 4.295 1.00 34.45 N ATOM 0 H GLN A 26 -14.459 8.445 1.471 1.00 12.14 H new ATOM 0 HA GLN A 26 -15.356 9.784 3.854 1.00 33.00 H new ATOM 0 HB2 GLN A 26 -14.970 7.635 4.903 1.00 10.10 H new ATOM 0 HB3 GLN A 26 -15.727 7.358 3.347 1.00 10.10 H new ATOM 0 HG2 GLN A 26 -13.344 7.047 2.415 1.00 42.24 H new ATOM 0 HG3 GLN A 26 -12.808 6.997 4.083 1.00 42.24 H new ATOM 0 HE21 GLN A 26 -15.330 5.373 4.912 1.00 34.45 H new ATOM 0 HE22 GLN A 26 -14.939 3.755 4.322 1.00 34.45 H new ATOM 452 N HIS A 27 -12.130 9.633 3.315 1.00 52.14 N ATOM 453 CA HIS A 27 -10.813 10.075 3.757 1.00 41.41 C ATOM 454 C HIS A 27 -10.077 10.834 2.633 1.00 42.21 C ATOM 455 O HIS A 27 -9.074 10.347 2.094 1.00 4.21 O ATOM 456 CB HIS A 27 -10.007 8.863 4.266 1.00 2.20 C ATOM 457 CG HIS A 27 -10.621 8.101 5.421 1.00 50.35 C ATOM 458 ND1 HIS A 27 -11.129 8.635 6.587 1.00 1.34 N ATOM 459 CD2 HIS A 27 -10.789 6.743 5.488 1.00 34.10 C ATOM 460 CE1 HIS A 27 -11.622 7.624 7.322 1.00 3.44 C ATOM 461 NE2 HIS A 27 -11.412 6.452 6.705 1.00 70.01 N ATOM 0 H HIS A 27 -12.123 9.249 2.370 1.00 52.14 H new ATOM 0 HA HIS A 27 -10.926 10.778 4.582 1.00 41.41 H new ATOM 0 HB2 HIS A 27 -9.863 8.172 3.435 1.00 2.20 H new ATOM 0 HB3 HIS A 27 -9.019 9.209 4.568 1.00 2.20 H new ATOM 0 HD2 HIS A 27 -10.493 6.026 4.736 1.00 34.10 H new ATOM 0 HE1 HIS A 27 -12.117 7.739 8.275 1.00 3.44 H new ATOM 0 HE2 HIS A 27 -11.659 5.527 7.056 1.00 70.01 H new ATOM 469 N PRO A 28 -10.514 12.054 2.271 1.00 34.12 N ATOM 470 CA PRO A 28 -9.878 12.869 1.231 1.00 11.43 C ATOM 471 C PRO A 28 -8.512 13.406 1.667 1.00 72.01 C ATOM 472 O PRO A 28 -7.755 13.912 0.839 1.00 43.52 O ATOM 473 CB PRO A 28 -10.826 14.041 0.980 1.00 10.40 C ATOM 474 CG PRO A 28 -11.588 14.167 2.288 1.00 23.21 C ATOM 475 CD PRO A 28 -11.668 12.743 2.819 1.00 72.35 C ATOM 0 HA PRO A 28 -9.704 12.266 0.340 1.00 11.43 H new ATOM 0 HB2 PRO A 28 -10.281 14.955 0.743 1.00 10.40 H new ATOM 0 HB3 PRO A 28 -11.496 13.844 0.143 1.00 10.40 H new ATOM 0 HG2 PRO A 28 -11.070 14.823 2.988 1.00 23.21 H new ATOM 0 HG3 PRO A 28 -12.581 14.589 2.130 1.00 23.21 H new ATOM 0 HD2 PRO A 28 -11.651 12.730 3.909 1.00 72.35 H new ATOM 0 HD3 PRO A 28 -12.595 12.261 2.509 1.00 72.35 H new ATOM 483 N THR A 29 -8.210 13.272 2.957 1.00 33.22 N ATOM 484 CA THR A 29 -7.008 13.673 3.665 1.00 54.44 C ATOM 485 C THR A 29 -5.956 12.550 3.651 1.00 23.22 C ATOM 486 O THR A 29 -4.838 12.738 4.147 1.00 74.41 O ATOM 487 CB THR A 29 -7.486 13.914 5.119 1.00 42.43 C ATOM 488 OG1 THR A 29 -8.376 12.866 5.501 1.00 2.52 O ATOM 489 CG2 THR A 29 -8.264 15.227 5.238 1.00 50.12 C ATOM 0 H THR A 29 -8.875 12.833 3.594 1.00 33.22 H new ATOM 0 HA THR A 29 -6.542 14.548 3.211 1.00 54.44 H new ATOM 0 HB THR A 29 -6.602 13.949 5.756 1.00 42.43 H new ATOM 0 HG1 THR A 29 -8.680 13.014 6.421 1.00 2.52 H new ATOM 0 HG21 THR A 29 -8.586 15.367 6.270 1.00 50.12 H new ATOM 0 HG22 THR A 29 -7.623 16.058 4.942 1.00 50.12 H new ATOM 0 HG23 THR A 29 -9.138 15.192 4.587 1.00 50.12 H new ATOM 497 N LYS A 30 -6.257 11.418 3.001 1.00 13.31 N ATOM 498 CA LYS A 30 -5.407 10.241 2.863 1.00 33.42 C ATOM 499 C LYS A 30 -5.207 9.969 1.385 1.00 63.14 C ATOM 500 O LYS A 30 -6.054 10.301 0.558 1.00 25.14 O ATOM 501 CB LYS A 30 -6.068 9.020 3.530 1.00 61.23 C ATOM 502 CG LYS A 30 -6.163 9.098 5.060 1.00 1.14 C ATOM 503 CD LYS A 30 -4.787 9.222 5.743 1.00 34.14 C ATOM 504 CE LYS A 30 -4.698 8.645 7.170 1.00 53.21 C ATOM 505 NZ LYS A 30 -5.912 8.889 7.985 1.00 24.00 N ATOM 0 H LYS A 30 -7.155 11.298 2.532 1.00 13.31 H new ATOM 0 HA LYS A 30 -4.449 10.421 3.350 1.00 33.42 H new ATOM 0 HB2 LYS A 30 -7.072 8.900 3.123 1.00 61.23 H new ATOM 0 HB3 LYS A 30 -5.505 8.126 3.260 1.00 61.23 H new ATOM 0 HG2 LYS A 30 -6.779 9.954 5.337 1.00 1.14 H new ATOM 0 HG3 LYS A 30 -6.669 8.207 5.433 1.00 1.14 H new ATOM 0 HD2 LYS A 30 -4.046 8.721 5.121 1.00 34.14 H new ATOM 0 HD3 LYS A 30 -4.513 10.276 5.779 1.00 34.14 H new ATOM 0 HE2 LYS A 30 -4.522 7.571 7.108 1.00 53.21 H new ATOM 0 HE3 LYS A 30 -3.837 9.081 7.676 1.00 53.21 H new ATOM 0 HZ1 LYS A 30 -5.741 8.582 8.964 1.00 24.00 H new ATOM 0 HZ2 LYS A 30 -6.139 9.904 7.975 1.00 24.00 H new ATOM 0 HZ3 LYS A 30 -6.710 8.352 7.589 1.00 24.00 H new ATOM 519 N ILE A 31 -4.127 9.281 1.059 1.00 41.32 N ATOM 520 CA ILE A 31 -3.702 8.896 -0.268 1.00 73.14 C ATOM 521 C ILE A 31 -3.816 7.362 -0.310 1.00 63.33 C ATOM 522 O ILE A 31 -3.142 6.708 0.507 1.00 1.33 O ATOM 523 CB ILE A 31 -2.257 9.398 -0.501 1.00 74.24 C ATOM 524 CG1 ILE A 31 -2.067 10.926 -0.357 1.00 44.24 C ATOM 525 CG2 ILE A 31 -1.740 8.943 -1.868 1.00 13.40 C ATOM 526 CD1 ILE A 31 -2.886 11.784 -1.323 1.00 53.32 C ATOM 0 H ILE A 31 -3.477 8.954 1.773 1.00 41.32 H new ATOM 0 HA ILE A 31 -4.309 9.332 -1.062 1.00 73.14 H new ATOM 0 HB ILE A 31 -1.673 8.946 0.301 1.00 74.24 H new ATOM 0 HG12 ILE A 31 -2.324 11.212 0.663 1.00 44.24 H new ATOM 0 HG13 ILE A 31 -1.011 11.158 -0.497 1.00 44.24 H new ATOM 0 HG21 ILE A 31 -0.723 9.307 -2.012 1.00 13.40 H new ATOM 0 HG22 ILE A 31 -1.746 7.854 -1.915 1.00 13.40 H new ATOM 0 HG23 ILE A 31 -2.383 9.344 -2.652 1.00 13.40 H new ATOM 0 HD11 ILE A 31 -2.679 12.838 -1.138 1.00 53.32 H new ATOM 0 HD12 ILE A 31 -2.615 11.536 -2.349 1.00 53.32 H new ATOM 0 HD13 ILE A 31 -3.948 11.590 -1.171 1.00 53.32 H new ATOM 538 N PRO A 32 -4.636 6.796 -1.222 1.00 1.12 N ATOM 539 CA PRO A 32 -4.840 5.360 -1.383 1.00 73.20 C ATOM 540 C PRO A 32 -3.663 4.677 -2.097 1.00 32.34 C ATOM 541 O PRO A 32 -3.406 4.889 -3.288 1.00 3.03 O ATOM 542 CB PRO A 32 -6.136 5.230 -2.183 1.00 43.10 C ATOM 543 CG PRO A 32 -6.207 6.499 -3.027 1.00 73.11 C ATOM 544 CD PRO A 32 -5.465 7.527 -2.182 1.00 45.35 C ATOM 0 HA PRO A 32 -4.904 4.860 -0.417 1.00 73.20 H new ATOM 0 HB2 PRO A 32 -6.125 4.339 -2.810 1.00 43.10 H new ATOM 0 HB3 PRO A 32 -7.000 5.145 -1.524 1.00 43.10 H new ATOM 0 HG2 PRO A 32 -5.734 6.362 -4.000 1.00 73.11 H new ATOM 0 HG3 PRO A 32 -7.238 6.801 -3.213 1.00 73.11 H new ATOM 0 HD2 PRO A 32 -4.847 8.167 -2.812 1.00 45.35 H new ATOM 0 HD3 PRO A 32 -6.170 8.176 -1.663 1.00 45.35 H new ATOM 552 N VAL A 33 -2.955 3.817 -1.369 1.00 1.42 N ATOM 553 CA VAL A 33 -1.803 3.084 -1.881 1.00 42.13 C ATOM 554 C VAL A 33 -1.978 1.589 -1.635 1.00 61.40 C ATOM 555 O VAL A 33 -2.652 1.156 -0.694 1.00 43.13 O ATOM 556 CB VAL A 33 -0.498 3.682 -1.321 1.00 11.41 C ATOM 557 CG1 VAL A 33 -0.447 3.567 0.202 1.00 34.43 C ATOM 558 CG2 VAL A 33 0.778 3.051 -1.893 1.00 11.21 C ATOM 0 H VAL A 33 -3.169 3.608 -0.394 1.00 1.42 H new ATOM 0 HA VAL A 33 -1.732 3.195 -2.963 1.00 42.13 H new ATOM 0 HB VAL A 33 -0.520 4.727 -1.632 1.00 11.41 H new ATOM 0 HG11 VAL A 33 0.485 3.997 0.568 1.00 34.43 H new ATOM 0 HG12 VAL A 33 -1.290 4.105 0.636 1.00 34.43 H new ATOM 0 HG13 VAL A 33 -0.500 2.517 0.490 1.00 34.43 H new ATOM 0 HG21 VAL A 33 1.651 3.528 -1.448 1.00 11.21 H new ATOM 0 HG22 VAL A 33 0.791 1.985 -1.665 1.00 11.21 H new ATOM 0 HG23 VAL A 33 0.800 3.191 -2.974 1.00 11.21 H new ATOM 568 N ILE A 34 -1.377 0.819 -2.528 1.00 65.14 N ATOM 569 CA ILE A 34 -1.337 -0.619 -2.613 1.00 11.03 C ATOM 570 C ILE A 34 0.133 -0.999 -2.417 1.00 51.30 C ATOM 571 O ILE A 34 0.997 -0.516 -3.150 1.00 42.21 O ATOM 572 CB ILE A 34 -1.877 -1.004 -4.009 1.00 63.32 C ATOM 573 CG1 ILE A 34 -3.347 -0.588 -4.247 1.00 4.33 C ATOM 574 CG2 ILE A 34 -1.687 -2.492 -4.296 1.00 3.21 C ATOM 575 CD1 ILE A 34 -4.356 -1.153 -3.239 1.00 23.15 C ATOM 0 H ILE A 34 -0.849 1.241 -3.292 1.00 65.14 H new ATOM 0 HA ILE A 34 -1.942 -1.138 -1.870 1.00 11.03 H new ATOM 0 HB ILE A 34 -1.277 -0.430 -4.715 1.00 63.32 H new ATOM 0 HG12 ILE A 34 -3.408 0.500 -4.227 1.00 4.33 H new ATOM 0 HG13 ILE A 34 -3.640 -0.905 -5.248 1.00 4.33 H new ATOM 0 HG21 ILE A 34 -2.079 -2.724 -5.286 1.00 3.21 H new ATOM 0 HG22 ILE A 34 -0.626 -2.737 -4.259 1.00 3.21 H new ATOM 0 HG23 ILE A 34 -2.221 -3.078 -3.548 1.00 3.21 H new ATOM 0 HD11 ILE A 34 -5.357 -0.804 -3.492 1.00 23.15 H new ATOM 0 HD12 ILE A 34 -4.332 -2.242 -3.272 1.00 23.15 H new ATOM 0 HD13 ILE A 34 -4.096 -0.815 -2.236 1.00 23.15 H new ATOM 587 N ILE A 35 0.420 -1.815 -1.406 1.00 72.44 N ATOM 588 CA ILE A 35 1.759 -2.291 -1.076 1.00 10.33 C ATOM 589 C ILE A 35 1.758 -3.782 -1.351 1.00 31.24 C ATOM 590 O ILE A 35 0.838 -4.476 -0.908 1.00 62.44 O ATOM 591 CB ILE A 35 2.079 -2.020 0.419 1.00 62.03 C ATOM 592 CG1 ILE A 35 1.992 -0.534 0.819 1.00 3.13 C ATOM 593 CG2 ILE A 35 3.458 -2.582 0.820 1.00 21.35 C ATOM 594 CD1 ILE A 35 2.898 0.382 -0.004 1.00 23.24 C ATOM 0 H ILE A 35 -0.296 -2.174 -0.774 1.00 72.44 H new ATOM 0 HA ILE A 35 2.517 -1.777 -1.667 1.00 10.33 H new ATOM 0 HB ILE A 35 1.298 -2.546 0.967 1.00 62.03 H new ATOM 0 HG12 ILE A 35 0.960 -0.199 0.713 1.00 3.13 H new ATOM 0 HG13 ILE A 35 2.253 -0.435 1.873 1.00 3.13 H new ATOM 0 HG21 ILE A 35 3.644 -2.372 1.873 1.00 21.35 H new ATOM 0 HG22 ILE A 35 3.473 -3.660 0.657 1.00 21.35 H new ATOM 0 HG23 ILE A 35 4.233 -2.112 0.214 1.00 21.35 H new ATOM 0 HD11 ILE A 35 2.781 1.411 0.336 1.00 23.24 H new ATOM 0 HD12 ILE A 35 3.936 0.074 0.121 1.00 23.24 H new ATOM 0 HD13 ILE A 35 2.624 0.315 -1.057 1.00 23.24 H new ATOM 606 N GLU A 36 2.771 -4.297 -2.046 1.00 5.15 N ATOM 607 CA GLU A 36 2.872 -5.723 -2.333 1.00 21.23 C ATOM 608 C GLU A 36 4.318 -6.197 -2.173 1.00 72.10 C ATOM 609 O GLU A 36 5.262 -5.434 -2.376 1.00 74.50 O ATOM 610 CB GLU A 36 2.288 -5.994 -3.726 1.00 41.00 C ATOM 611 CG GLU A 36 1.854 -7.456 -3.907 1.00 61.24 C ATOM 612 CD GLU A 36 0.857 -7.639 -5.059 1.00 63.31 C ATOM 613 OE1 GLU A 36 0.775 -6.803 -5.987 1.00 14.01 O ATOM 614 OE2 GLU A 36 -0.019 -8.534 -4.975 1.00 25.45 O ATOM 0 H GLU A 36 3.538 -3.741 -2.423 1.00 5.15 H new ATOM 0 HA GLU A 36 2.288 -6.303 -1.618 1.00 21.23 H new ATOM 0 HB2 GLU A 36 1.431 -5.341 -3.891 1.00 41.00 H new ATOM 0 HB3 GLU A 36 3.031 -5.742 -4.483 1.00 41.00 H new ATOM 0 HG2 GLU A 36 2.734 -8.072 -4.092 1.00 61.24 H new ATOM 0 HG3 GLU A 36 1.403 -7.814 -2.981 1.00 61.24 H new ATOM 621 N ARG A 37 4.509 -7.439 -1.733 1.00 11.32 N ATOM 622 CA ARG A 37 5.842 -7.993 -1.569 1.00 25.14 C ATOM 623 C ARG A 37 6.314 -8.406 -2.961 1.00 13.43 C ATOM 624 O ARG A 37 5.535 -9.044 -3.676 1.00 74.30 O ATOM 625 CB ARG A 37 5.761 -9.210 -0.629 1.00 25.23 C ATOM 626 CG ARG A 37 7.158 -9.803 -0.377 1.00 50.21 C ATOM 627 CD ARG A 37 7.193 -11.331 -0.278 1.00 51.14 C ATOM 628 NE ARG A 37 6.633 -11.969 -1.486 1.00 63.11 N ATOM 629 CZ ARG A 37 6.604 -13.285 -1.726 1.00 42.42 C ATOM 630 NH1 ARG A 37 7.331 -14.132 -1.013 1.00 34.52 N ATOM 631 NH2 ARG A 37 5.820 -13.785 -2.670 1.00 13.15 N ATOM 0 H ARG A 37 3.754 -8.078 -1.485 1.00 11.32 H new ATOM 0 HA ARG A 37 6.538 -7.277 -1.133 1.00 25.14 H new ATOM 0 HB2 ARG A 37 5.311 -8.913 0.318 1.00 25.23 H new ATOM 0 HB3 ARG A 37 5.113 -9.969 -1.066 1.00 25.23 H new ATOM 0 HG2 ARG A 37 7.822 -9.489 -1.182 1.00 50.21 H new ATOM 0 HG3 ARG A 37 7.556 -9.383 0.547 1.00 50.21 H new ATOM 0 HD2 ARG A 37 8.221 -11.663 -0.134 1.00 51.14 H new ATOM 0 HD3 ARG A 37 6.629 -11.652 0.598 1.00 51.14 H new ATOM 0 HE ARG A 37 6.235 -11.355 -2.197 1.00 63.11 H new ATOM 0 HH11 ARG A 37 7.929 -13.785 -0.263 1.00 34.52 H new ATOM 0 HH12 ARG A 37 7.293 -15.131 -1.214 1.00 34.52 H new ATOM 0 HH21 ARG A 37 5.229 -13.165 -3.224 1.00 13.15 H new ATOM 0 HH22 ARG A 37 5.807 -14.790 -2.843 1.00 13.15 H new ATOM 645 N TYR A 38 7.547 -8.068 -3.347 1.00 2.44 N ATOM 646 CA TYR A 38 8.085 -8.450 -4.647 1.00 10.22 C ATOM 647 C TYR A 38 7.985 -9.967 -4.804 1.00 25.53 C ATOM 648 O TYR A 38 8.159 -10.714 -3.842 1.00 64.23 O ATOM 649 CB TYR A 38 9.528 -7.959 -4.774 1.00 54.02 C ATOM 650 CG TYR A 38 10.282 -8.405 -6.011 1.00 10.21 C ATOM 651 CD1 TYR A 38 9.741 -8.194 -7.293 1.00 11.23 C ATOM 652 CD2 TYR A 38 11.557 -8.989 -5.881 1.00 4.44 C ATOM 653 CE1 TYR A 38 10.477 -8.540 -8.438 1.00 52.02 C ATOM 654 CE2 TYR A 38 12.305 -9.314 -7.025 1.00 54.22 C ATOM 655 CZ TYR A 38 11.783 -9.059 -8.308 1.00 44.13 C ATOM 656 OH TYR A 38 12.568 -9.256 -9.403 1.00 25.44 O ATOM 0 H TYR A 38 8.192 -7.527 -2.771 1.00 2.44 H new ATOM 0 HA TYR A 38 7.508 -7.986 -5.447 1.00 10.22 H new ATOM 0 HB2 TYR A 38 9.522 -6.869 -4.751 1.00 54.02 H new ATOM 0 HB3 TYR A 38 10.082 -8.293 -3.897 1.00 54.02 H new ATOM 0 HD1 TYR A 38 8.756 -7.764 -7.397 1.00 11.23 H new ATOM 0 HD2 TYR A 38 11.961 -9.188 -4.899 1.00 4.44 H new ATOM 0 HE1 TYR A 38 10.043 -8.409 -9.418 1.00 52.02 H new ATOM 0 HE2 TYR A 38 13.283 -9.761 -6.920 1.00 54.22 H new ATOM 0 HH TYR A 38 13.435 -9.618 -9.123 1.00 25.44 H new ATOM 666 N LYS A 39 7.725 -10.455 -6.014 1.00 43.00 N ATOM 667 CA LYS A 39 7.600 -11.888 -6.264 1.00 73.54 C ATOM 668 C LYS A 39 8.886 -12.661 -5.964 1.00 2.44 C ATOM 669 O LYS A 39 8.796 -13.845 -5.640 1.00 20.53 O ATOM 670 CB LYS A 39 7.076 -12.132 -7.691 1.00 34.53 C ATOM 671 CG LYS A 39 8.005 -11.596 -8.796 1.00 62.11 C ATOM 672 CD LYS A 39 7.332 -11.563 -10.177 1.00 1.35 C ATOM 673 CE LYS A 39 7.013 -12.940 -10.766 1.00 33.34 C ATOM 674 NZ LYS A 39 8.224 -13.667 -11.189 1.00 44.22 N ATOM 0 H LYS A 39 7.596 -9.874 -6.842 1.00 43.00 H new ATOM 0 HA LYS A 39 6.866 -12.286 -5.563 1.00 73.54 H new ATOM 0 HB2 LYS A 39 6.933 -13.203 -7.837 1.00 34.53 H new ATOM 0 HB3 LYS A 39 6.097 -11.663 -7.793 1.00 34.53 H new ATOM 0 HG2 LYS A 39 8.332 -10.590 -8.533 1.00 62.11 H new ATOM 0 HG3 LYS A 39 8.898 -12.219 -8.847 1.00 62.11 H new ATOM 0 HD2 LYS A 39 6.407 -10.992 -10.102 1.00 1.35 H new ATOM 0 HD3 LYS A 39 7.981 -11.028 -10.870 1.00 1.35 H new ATOM 0 HE2 LYS A 39 6.477 -13.533 -10.025 1.00 33.34 H new ATOM 0 HE3 LYS A 39 6.347 -12.821 -11.621 1.00 33.34 H new ATOM 0 HZ1 LYS A 39 7.955 -14.592 -11.580 1.00 44.22 H new ATOM 0 HZ2 LYS A 39 8.724 -13.116 -11.916 1.00 44.22 H new ATOM 0 HZ3 LYS A 39 8.849 -13.806 -10.370 1.00 44.22 H new ATOM 688 N GLY A 40 10.055 -12.023 -6.055 1.00 12.11 N ATOM 689 CA GLY A 40 11.333 -12.664 -5.770 1.00 0.31 C ATOM 690 C GLY A 40 11.723 -12.543 -4.294 1.00 32.53 C ATOM 691 O GLY A 40 12.644 -13.225 -3.845 1.00 62.50 O ATOM 0 H GLY A 40 10.138 -11.044 -6.330 1.00 12.11 H new ATOM 0 HA2 GLY A 40 11.279 -13.717 -6.045 1.00 0.31 H new ATOM 0 HA3 GLY A 40 12.110 -12.213 -6.388 1.00 0.31 H new ATOM 695 N GLU A 41 11.035 -11.691 -3.530 1.00 24.43 N ATOM 696 CA GLU A 41 11.301 -11.456 -2.122 1.00 71.33 C ATOM 697 C GLU A 41 11.048 -12.724 -1.304 1.00 64.52 C ATOM 698 O GLU A 41 9.914 -13.185 -1.164 1.00 32.51 O ATOM 699 CB GLU A 41 10.444 -10.285 -1.650 1.00 72.33 C ATOM 700 CG GLU A 41 10.704 -9.848 -0.210 1.00 42.03 C ATOM 701 CD GLU A 41 12.196 -9.882 0.096 1.00 71.51 C ATOM 702 OE1 GLU A 41 12.922 -8.928 -0.211 1.00 52.12 O ATOM 703 OE2 GLU A 41 12.643 -10.928 0.596 1.00 44.40 O ATOM 0 H GLU A 41 10.259 -11.135 -3.889 1.00 24.43 H new ATOM 0 HA GLU A 41 12.350 -11.199 -1.977 1.00 71.33 H new ATOM 0 HB2 GLU A 41 10.617 -9.435 -2.311 1.00 72.33 H new ATOM 0 HB3 GLU A 41 9.393 -10.557 -1.749 1.00 72.33 H new ATOM 0 HG2 GLU A 41 10.317 -8.841 -0.054 1.00 42.03 H new ATOM 0 HG3 GLU A 41 10.171 -10.504 0.478 1.00 42.03 H new ATOM 710 N LYS A 42 12.118 -13.294 -0.754 1.00 73.41 N ATOM 711 CA LYS A 42 12.093 -14.514 0.045 1.00 44.03 C ATOM 712 C LYS A 42 12.738 -14.378 1.426 1.00 72.40 C ATOM 713 O LYS A 42 12.777 -15.373 2.150 1.00 31.12 O ATOM 714 CB LYS A 42 12.743 -15.607 -0.811 1.00 52.22 C ATOM 715 CG LYS A 42 11.803 -16.065 -1.947 1.00 11.01 C ATOM 716 CD LYS A 42 10.806 -17.161 -1.538 1.00 60.34 C ATOM 717 CE LYS A 42 11.458 -18.507 -1.186 1.00 74.24 C ATOM 718 NZ LYS A 42 12.318 -19.032 -2.269 1.00 60.50 N ATOM 0 H LYS A 42 13.056 -12.906 -0.856 1.00 73.41 H new ATOM 0 HA LYS A 42 11.061 -14.768 0.289 1.00 44.03 H new ATOM 0 HB2 LYS A 42 13.675 -15.233 -1.236 1.00 52.22 H new ATOM 0 HB3 LYS A 42 12.999 -16.460 -0.182 1.00 52.22 H new ATOM 0 HG2 LYS A 42 11.247 -15.202 -2.313 1.00 11.01 H new ATOM 0 HG3 LYS A 42 12.407 -16.431 -2.778 1.00 11.01 H new ATOM 0 HD2 LYS A 42 10.232 -16.812 -0.679 1.00 60.34 H new ATOM 0 HD3 LYS A 42 10.098 -17.315 -2.353 1.00 60.34 H new ATOM 0 HE2 LYS A 42 12.054 -18.390 -0.281 1.00 74.24 H new ATOM 0 HE3 LYS A 42 10.678 -19.235 -0.963 1.00 74.24 H new ATOM 0 HZ1 LYS A 42 12.621 -19.999 -2.034 1.00 60.50 H new ATOM 0 HZ2 LYS A 42 11.784 -19.044 -3.161 1.00 60.50 H new ATOM 0 HZ3 LYS A 42 13.154 -18.423 -2.374 1.00 60.50 H new ATOM 732 N GLN A 43 13.302 -13.225 1.786 1.00 1.34 N ATOM 733 CA GLN A 43 13.922 -12.956 3.073 1.00 53.41 C ATOM 734 C GLN A 43 13.012 -12.064 3.923 1.00 15.52 C ATOM 735 O GLN A 43 13.118 -12.105 5.149 1.00 34.25 O ATOM 736 CB GLN A 43 15.334 -12.375 2.935 1.00 11.11 C ATOM 737 CG GLN A 43 15.473 -11.107 2.087 1.00 41.11 C ATOM 738 CD GLN A 43 16.125 -11.370 0.726 1.00 73.34 C ATOM 739 OE1 GLN A 43 17.241 -10.927 0.463 1.00 63.54 O ATOM 740 NE2 GLN A 43 15.488 -12.137 -0.149 1.00 13.23 N ATOM 0 H GLN A 43 13.338 -12.422 1.158 1.00 1.34 H new ATOM 0 HA GLN A 43 14.044 -13.908 3.589 1.00 53.41 H new ATOM 0 HB2 GLN A 43 15.713 -12.160 3.934 1.00 11.11 H new ATOM 0 HB3 GLN A 43 15.978 -13.143 2.508 1.00 11.11 H new ATOM 0 HG2 GLN A 43 14.487 -10.669 1.933 1.00 41.11 H new ATOM 0 HG3 GLN A 43 16.066 -10.374 2.633 1.00 41.11 H new ATOM 0 HE21 GLN A 43 14.562 -12.503 0.073 1.00 13.23 H new ATOM 0 HE22 GLN A 43 15.924 -12.361 -1.043 1.00 13.23 H new ATOM 749 N LEU A 44 12.180 -11.211 3.316 1.00 2.31 N ATOM 750 CA LEU A 44 11.260 -10.347 4.052 1.00 60.43 C ATOM 751 C LEU A 44 9.875 -11.012 4.052 1.00 62.14 C ATOM 752 O LEU A 44 9.509 -11.658 3.067 1.00 31.05 O ATOM 753 CB LEU A 44 11.124 -8.958 3.414 1.00 42.53 C ATOM 754 CG LEU A 44 12.405 -8.113 3.465 1.00 13.25 C ATOM 755 CD1 LEU A 44 12.304 -6.968 2.461 1.00 23.44 C ATOM 756 CD2 LEU A 44 12.627 -7.504 4.857 1.00 72.43 C ATOM 0 H LEU A 44 12.128 -11.103 2.303 1.00 2.31 H new ATOM 0 HA LEU A 44 11.655 -10.217 5.060 1.00 60.43 H new ATOM 0 HB2 LEU A 44 10.822 -9.077 2.373 1.00 42.53 H new ATOM 0 HB3 LEU A 44 10.324 -8.416 3.918 1.00 42.53 H new ATOM 0 HG LEU A 44 13.240 -8.772 3.227 1.00 13.25 H new ATOM 0 HD11 LEU A 44 13.214 -6.370 2.499 1.00 23.44 H new ATOM 0 HD12 LEU A 44 12.178 -7.374 1.457 1.00 23.44 H new ATOM 0 HD13 LEU A 44 11.447 -6.341 2.709 1.00 23.44 H new ATOM 0 HD21 LEU A 44 13.543 -6.913 4.854 1.00 72.43 H new ATOM 0 HD22 LEU A 44 11.783 -6.864 5.113 1.00 72.43 H new ATOM 0 HD23 LEU A 44 12.713 -8.302 5.594 1.00 72.43 H new ATOM 768 N PRO A 45 9.071 -10.838 5.111 1.00 53.34 N ATOM 769 CA PRO A 45 7.738 -11.415 5.193 1.00 44.21 C ATOM 770 C PRO A 45 6.721 -10.567 4.419 1.00 52.10 C ATOM 771 O PRO A 45 6.972 -9.402 4.084 1.00 2.22 O ATOM 772 CB PRO A 45 7.419 -11.419 6.687 1.00 34.31 C ATOM 773 CG PRO A 45 8.157 -10.189 7.219 1.00 54.20 C ATOM 774 CD PRO A 45 9.392 -10.105 6.320 1.00 4.11 C ATOM 0 HA PRO A 45 7.691 -12.412 4.754 1.00 44.21 H new ATOM 0 HB2 PRO A 45 6.346 -11.351 6.868 1.00 34.31 H new ATOM 0 HB3 PRO A 45 7.766 -12.333 7.168 1.00 34.31 H new ATOM 0 HG2 PRO A 45 7.545 -9.290 7.147 1.00 54.20 H new ATOM 0 HG3 PRO A 45 8.430 -10.306 8.268 1.00 54.20 H new ATOM 0 HD2 PRO A 45 9.636 -9.067 6.092 1.00 4.11 H new ATOM 0 HD3 PRO A 45 10.262 -10.535 6.815 1.00 4.11 H new ATOM 782 N VAL A 46 5.558 -11.155 4.142 1.00 43.33 N ATOM 783 CA VAL A 46 4.450 -10.519 3.438 1.00 60.33 C ATOM 784 C VAL A 46 3.699 -9.636 4.452 1.00 10.33 C ATOM 785 O VAL A 46 3.615 -9.982 5.640 1.00 61.00 O ATOM 786 CB VAL A 46 3.546 -11.619 2.830 1.00 51.13 C ATOM 787 CG1 VAL A 46 2.358 -11.045 2.047 1.00 24.25 C ATOM 788 CG2 VAL A 46 4.307 -12.511 1.833 1.00 43.43 C ATOM 0 H VAL A 46 5.357 -12.118 4.411 1.00 43.33 H new ATOM 0 HA VAL A 46 4.792 -9.890 2.616 1.00 60.33 H new ATOM 0 HB VAL A 46 3.203 -12.189 3.694 1.00 51.13 H new ATOM 0 HG11 VAL A 46 1.759 -11.862 1.644 1.00 24.25 H new ATOM 0 HG12 VAL A 46 1.743 -10.438 2.712 1.00 24.25 H new ATOM 0 HG13 VAL A 46 2.726 -10.427 1.228 1.00 24.25 H new ATOM 0 HG21 VAL A 46 3.632 -13.268 1.433 1.00 43.43 H new ATOM 0 HG22 VAL A 46 4.691 -11.899 1.017 1.00 43.43 H new ATOM 0 HG23 VAL A 46 5.138 -12.999 2.342 1.00 43.43 H new ATOM 798 N LEU A 47 3.179 -8.481 4.016 1.00 43.40 N ATOM 799 CA LEU A 47 2.422 -7.588 4.893 1.00 21.31 C ATOM 800 C LEU A 47 1.151 -8.319 5.341 1.00 41.30 C ATOM 801 O LEU A 47 0.714 -9.309 4.756 1.00 65.23 O ATOM 802 CB LEU A 47 2.026 -6.263 4.190 1.00 4.12 C ATOM 803 CG LEU A 47 2.793 -4.982 4.553 1.00 54.43 C ATOM 804 CD1 LEU A 47 2.757 -4.677 6.055 1.00 73.14 C ATOM 805 CD2 LEU A 47 4.226 -5.005 4.045 1.00 62.21 C ATOM 0 H LEU A 47 3.271 -8.145 3.057 1.00 43.40 H new ATOM 0 HA LEU A 47 3.055 -7.328 5.742 1.00 21.31 H new ATOM 0 HB2 LEU A 47 2.126 -6.416 3.115 1.00 4.12 H new ATOM 0 HB3 LEU A 47 0.969 -6.085 4.390 1.00 4.12 H new ATOM 0 HG LEU A 47 2.270 -4.173 4.043 1.00 54.43 H new ATOM 0 HD11 LEU A 47 3.314 -3.762 6.254 1.00 73.14 H new ATOM 0 HD12 LEU A 47 1.723 -4.549 6.376 1.00 73.14 H new ATOM 0 HD13 LEU A 47 3.208 -5.503 6.605 1.00 73.14 H new ATOM 0 HD21 LEU A 47 4.727 -4.079 4.326 1.00 62.21 H new ATOM 0 HD22 LEU A 47 4.754 -5.851 4.485 1.00 62.21 H new ATOM 0 HD23 LEU A 47 4.226 -5.102 2.959 1.00 62.21 H new ATOM 817 N ASP A 48 0.517 -7.813 6.392 1.00 54.52 N ATOM 818 CA ASP A 48 -0.712 -8.419 6.893 1.00 61.03 C ATOM 819 C ASP A 48 -1.948 -7.914 6.124 1.00 45.24 C ATOM 820 O ASP A 48 -3.024 -8.509 6.174 1.00 31.41 O ATOM 821 CB ASP A 48 -0.802 -8.161 8.389 1.00 64.40 C ATOM 822 CG ASP A 48 -2.144 -8.600 8.943 1.00 3.34 C ATOM 823 OD1 ASP A 48 -2.423 -9.818 8.950 1.00 31.34 O ATOM 824 OD2 ASP A 48 -2.889 -7.686 9.357 1.00 5.45 O ATOM 0 H ASP A 48 0.829 -6.992 6.910 1.00 54.52 H new ATOM 0 HA ASP A 48 -0.690 -9.496 6.726 1.00 61.03 H new ATOM 0 HB2 ASP A 48 -0.002 -8.695 8.901 1.00 64.40 H new ATOM 0 HB3 ASP A 48 -0.654 -7.099 8.587 1.00 64.40 H new ATOM 829 N LYS A 49 -1.814 -6.800 5.397 1.00 54.24 N ATOM 830 CA LYS A 49 -2.862 -6.157 4.597 1.00 51.21 C ATOM 831 C LYS A 49 -2.254 -5.746 3.252 1.00 70.34 C ATOM 832 O LYS A 49 -1.056 -5.950 3.036 1.00 54.54 O ATOM 833 CB LYS A 49 -3.469 -4.968 5.375 1.00 2.41 C ATOM 834 CG LYS A 49 -4.130 -5.430 6.689 1.00 12.31 C ATOM 835 CD LYS A 49 -4.654 -4.291 7.565 1.00 13.54 C ATOM 836 CE LYS A 49 -5.898 -3.575 7.021 1.00 31.21 C ATOM 837 NZ LYS A 49 -7.089 -4.434 6.938 1.00 22.31 N ATOM 0 H LYS A 49 -0.928 -6.297 5.348 1.00 54.24 H new ATOM 0 HA LYS A 49 -3.685 -6.844 4.401 1.00 51.21 H new ATOM 0 HB2 LYS A 49 -2.688 -4.240 5.596 1.00 2.41 H new ATOM 0 HB3 LYS A 49 -4.208 -4.464 4.752 1.00 2.41 H new ATOM 0 HG2 LYS A 49 -4.957 -6.099 6.450 1.00 12.31 H new ATOM 0 HG3 LYS A 49 -3.406 -6.010 7.262 1.00 12.31 H new ATOM 0 HD2 LYS A 49 -4.885 -4.689 8.553 1.00 13.54 H new ATOM 0 HD3 LYS A 49 -3.859 -3.557 7.695 1.00 13.54 H new ATOM 0 HE2 LYS A 49 -6.122 -2.720 7.659 1.00 31.21 H new ATOM 0 HE3 LYS A 49 -5.675 -3.182 6.029 1.00 31.21 H new ATOM 0 HZ1 LYS A 49 -7.943 -3.858 7.084 1.00 22.31 H new ATOM 0 HZ2 LYS A 49 -7.129 -4.882 6.000 1.00 22.31 H new ATOM 0 HZ3 LYS A 49 -7.038 -5.170 7.671 1.00 22.31 H new ATOM 851 N THR A 50 -3.043 -5.154 2.361 1.00 54.40 N ATOM 852 CA THR A 50 -2.578 -4.726 1.046 1.00 42.22 C ATOM 853 C THR A 50 -2.872 -3.250 0.777 1.00 21.35 C ATOM 854 O THR A 50 -2.019 -2.581 0.190 1.00 12.11 O ATOM 855 CB THR A 50 -3.199 -5.654 -0.010 1.00 10.12 C ATOM 856 OG1 THR A 50 -2.718 -6.977 0.184 1.00 65.02 O ATOM 857 CG2 THR A 50 -2.897 -5.211 -1.446 1.00 63.41 C ATOM 0 H THR A 50 -4.029 -4.956 2.532 1.00 54.40 H new ATOM 0 HA THR A 50 -1.492 -4.807 1.001 1.00 42.22 H new ATOM 0 HB THR A 50 -4.280 -5.610 0.120 1.00 10.12 H new ATOM 0 HG1 THR A 50 -3.114 -7.571 -0.487 1.00 65.02 H new ATOM 0 HG21 THR A 50 -3.362 -5.905 -2.146 1.00 63.41 H new ATOM 0 HG22 THR A 50 -3.295 -4.210 -1.609 1.00 63.41 H new ATOM 0 HG23 THR A 50 -1.819 -5.203 -1.605 1.00 63.41 H new ATOM 865 N LYS A 51 -4.039 -2.733 1.179 1.00 23.21 N ATOM 866 CA LYS A 51 -4.383 -1.332 0.941 1.00 24.33 C ATOM 867 C LYS A 51 -4.041 -0.505 2.181 1.00 71.23 C ATOM 868 O LYS A 51 -4.290 -0.940 3.308 1.00 22.45 O ATOM 869 CB LYS A 51 -5.857 -1.177 0.537 1.00 1.53 C ATOM 870 CG LYS A 51 -6.435 -2.281 -0.367 1.00 62.24 C ATOM 871 CD LYS A 51 -7.850 -1.895 -0.802 1.00 51.14 C ATOM 872 CE LYS A 51 -8.530 -2.898 -1.729 1.00 43.30 C ATOM 873 NZ LYS A 51 -9.012 -4.103 -1.037 1.00 33.04 N ATOM 0 H LYS A 51 -4.758 -3.265 1.669 1.00 23.21 H new ATOM 0 HA LYS A 51 -3.793 -0.959 0.104 1.00 24.33 H new ATOM 0 HB2 LYS A 51 -6.458 -1.129 1.445 1.00 1.53 H new ATOM 0 HB3 LYS A 51 -5.973 -0.221 0.027 1.00 1.53 H new ATOM 0 HG2 LYS A 51 -5.799 -2.420 -1.242 1.00 62.24 H new ATOM 0 HG3 LYS A 51 -6.454 -3.231 0.167 1.00 62.24 H new ATOM 0 HD2 LYS A 51 -8.467 -1.768 0.088 1.00 51.14 H new ATOM 0 HD3 LYS A 51 -7.810 -0.928 -1.303 1.00 51.14 H new ATOM 0 HE2 LYS A 51 -9.371 -2.412 -2.223 1.00 43.30 H new ATOM 0 HE3 LYS A 51 -7.829 -3.193 -2.509 1.00 43.30 H new ATOM 0 HZ1 LYS A 51 -9.307 -4.811 -1.739 1.00 33.04 H new ATOM 0 HZ2 LYS A 51 -8.248 -4.495 -0.450 1.00 33.04 H new ATOM 0 HZ3 LYS A 51 -9.821 -3.856 -0.433 1.00 33.04 H new ATOM 887 N PHE A 52 -3.492 0.693 1.995 1.00 2.14 N ATOM 888 CA PHE A 52 -3.099 1.592 3.075 1.00 64.33 C ATOM 889 C PHE A 52 -3.611 3.002 2.769 1.00 45.41 C ATOM 890 O PHE A 52 -3.838 3.368 1.612 1.00 2.32 O ATOM 891 CB PHE A 52 -1.564 1.594 3.247 1.00 74.21 C ATOM 892 CG PHE A 52 -0.909 0.297 3.709 1.00 2.44 C ATOM 893 CD1 PHE A 52 -0.900 -0.846 2.885 1.00 1.23 C ATOM 894 CD2 PHE A 52 -0.274 0.238 4.966 1.00 72.41 C ATOM 895 CE1 PHE A 52 -0.376 -2.062 3.356 1.00 3.34 C ATOM 896 CE2 PHE A 52 0.262 -0.975 5.437 1.00 73.44 C ATOM 897 CZ PHE A 52 0.182 -2.132 4.643 1.00 51.10 C ATOM 0 H PHE A 52 -3.304 1.074 1.067 1.00 2.14 H new ATOM 0 HA PHE A 52 -3.539 1.246 4.010 1.00 64.33 H new ATOM 0 HB2 PHE A 52 -1.118 1.875 2.293 1.00 74.21 H new ATOM 0 HB3 PHE A 52 -1.306 2.375 3.962 1.00 74.21 H new ATOM 0 HD1 PHE A 52 -1.299 -0.787 1.883 1.00 1.23 H new ATOM 0 HD2 PHE A 52 -0.198 1.129 5.571 1.00 72.41 H new ATOM 0 HE1 PHE A 52 -0.402 -2.941 2.729 1.00 3.34 H new ATOM 0 HE2 PHE A 52 0.734 -1.017 6.407 1.00 73.44 H new ATOM 0 HZ PHE A 52 0.549 -3.074 5.022 1.00 51.10 H new ATOM 907 N LEU A 53 -3.754 3.810 3.821 1.00 72.31 N ATOM 908 CA LEU A 53 -4.225 5.190 3.805 1.00 41.22 C ATOM 909 C LEU A 53 -3.109 6.031 4.420 1.00 62.21 C ATOM 910 O LEU A 53 -2.965 6.079 5.655 1.00 41.14 O ATOM 911 CB LEU A 53 -5.521 5.296 4.630 1.00 74.30 C ATOM 912 CG LEU A 53 -6.782 4.758 3.944 1.00 72.30 C ATOM 913 CD1 LEU A 53 -7.809 4.330 4.999 1.00 72.02 C ATOM 914 CD2 LEU A 53 -7.428 5.779 3.017 1.00 22.44 C ATOM 0 H LEU A 53 -3.529 3.495 4.765 1.00 72.31 H new ATOM 0 HA LEU A 53 -4.451 5.537 2.797 1.00 41.22 H new ATOM 0 HB2 LEU A 53 -5.380 4.758 5.567 1.00 74.30 H new ATOM 0 HB3 LEU A 53 -5.685 6.343 4.885 1.00 74.30 H new ATOM 0 HG LEU A 53 -6.470 3.906 3.339 1.00 72.30 H new ATOM 0 HD11 LEU A 53 -8.702 3.949 4.504 1.00 72.02 H new ATOM 0 HD12 LEU A 53 -7.381 3.549 5.627 1.00 72.02 H new ATOM 0 HD13 LEU A 53 -8.075 5.188 5.617 1.00 72.02 H new ATOM 0 HD21 LEU A 53 -8.316 5.344 2.559 1.00 22.44 H new ATOM 0 HD22 LEU A 53 -7.711 6.662 3.589 1.00 22.44 H new ATOM 0 HD23 LEU A 53 -6.720 6.063 2.238 1.00 22.44 H new ATOM 926 N VAL A 54 -2.322 6.694 3.565 1.00 51.55 N ATOM 927 CA VAL A 54 -1.197 7.528 4.012 1.00 53.15 C ATOM 928 C VAL A 54 -1.590 8.993 3.857 1.00 5.10 C ATOM 929 O VAL A 54 -2.048 9.350 2.780 1.00 73.31 O ATOM 930 CB VAL A 54 0.084 7.222 3.202 1.00 34.23 C ATOM 931 CG1 VAL A 54 1.321 7.919 3.789 1.00 54.25 C ATOM 932 CG2 VAL A 54 0.341 5.715 3.069 1.00 25.44 C ATOM 0 H VAL A 54 -2.444 6.669 2.553 1.00 51.55 H new ATOM 0 HA VAL A 54 -0.978 7.308 5.057 1.00 53.15 H new ATOM 0 HB VAL A 54 -0.091 7.624 2.204 1.00 34.23 H new ATOM 0 HG11 VAL A 54 2.196 7.675 3.187 1.00 54.25 H new ATOM 0 HG12 VAL A 54 1.167 8.998 3.784 1.00 54.25 H new ATOM 0 HG13 VAL A 54 1.478 7.579 4.813 1.00 54.25 H new ATOM 0 HG21 VAL A 54 1.251 5.551 2.492 1.00 25.44 H new ATOM 0 HG22 VAL A 54 0.455 5.277 4.060 1.00 25.44 H new ATOM 0 HG23 VAL A 54 -0.501 5.246 2.560 1.00 25.44 H new ATOM 942 N PRO A 55 -1.484 9.841 4.886 1.00 5.12 N ATOM 943 CA PRO A 55 -1.842 11.245 4.754 1.00 10.12 C ATOM 944 C PRO A 55 -0.854 11.936 3.814 1.00 64.12 C ATOM 945 O PRO A 55 0.354 11.715 3.912 1.00 42.24 O ATOM 946 CB PRO A 55 -1.804 11.812 6.166 1.00 31.20 C ATOM 947 CG PRO A 55 -0.838 10.888 6.903 1.00 50.22 C ATOM 948 CD PRO A 55 -0.968 9.543 6.207 1.00 23.40 C ATOM 0 HA PRO A 55 -2.830 11.396 4.319 1.00 10.12 H new ATOM 0 HB2 PRO A 55 -1.454 12.844 6.173 1.00 31.20 H new ATOM 0 HB3 PRO A 55 -2.792 11.807 6.626 1.00 31.20 H new ATOM 0 HG2 PRO A 55 0.184 11.263 6.849 1.00 50.22 H new ATOM 0 HG3 PRO A 55 -1.094 10.812 7.960 1.00 50.22 H new ATOM 0 HD2 PRO A 55 -0.004 9.037 6.147 1.00 23.40 H new ATOM 0 HD3 PRO A 55 -1.642 8.882 6.752 1.00 23.40 H new ATOM 956 N ASP A 56 -1.354 12.801 2.932 1.00 52.52 N ATOM 957 CA ASP A 56 -0.526 13.520 1.954 1.00 21.13 C ATOM 958 C ASP A 56 0.517 14.448 2.580 1.00 70.34 C ATOM 959 O ASP A 56 1.497 14.800 1.915 1.00 31.11 O ATOM 960 CB ASP A 56 -1.389 14.276 0.934 1.00 54.45 C ATOM 961 CG ASP A 56 -1.514 15.775 1.212 1.00 71.03 C ATOM 962 OD1 ASP A 56 -2.277 16.144 2.124 1.00 33.03 O ATOM 963 OD2 ASP A 56 -0.865 16.603 0.532 1.00 33.40 O ATOM 0 H ASP A 56 -2.347 13.026 2.872 1.00 52.52 H new ATOM 0 HA ASP A 56 0.038 12.746 1.433 1.00 21.13 H new ATOM 0 HB2 ASP A 56 -0.964 14.136 -0.060 1.00 54.45 H new ATOM 0 HB3 ASP A 56 -2.386 13.835 0.920 1.00 54.45 H new ATOM 968 N HIS A 57 0.355 14.795 3.861 1.00 73.42 N ATOM 969 CA HIS A 57 1.285 15.673 4.546 1.00 50.44 C ATOM 970 C HIS A 57 2.608 14.979 4.892 1.00 10.51 C ATOM 971 O HIS A 57 3.569 15.681 5.212 1.00 12.51 O ATOM 972 CB HIS A 57 0.655 16.251 5.826 1.00 1.53 C ATOM 973 CG HIS A 57 0.711 15.368 7.051 1.00 42.12 C ATOM 974 ND1 HIS A 57 1.812 15.164 7.857 1.00 53.22 N ATOM 975 CD2 HIS A 57 -0.340 14.705 7.623 1.00 2.33 C ATOM 976 CE1 HIS A 57 1.425 14.404 8.887 1.00 25.22 C ATOM 977 NE2 HIS A 57 0.134 14.056 8.768 1.00 63.11 N ATOM 0 H HIS A 57 -0.420 14.474 4.441 1.00 73.42 H new ATOM 0 HA HIS A 57 1.508 16.483 3.851 1.00 50.44 H new ATOM 0 HB2 HIS A 57 1.153 17.192 6.059 1.00 1.53 H new ATOM 0 HB3 HIS A 57 -0.389 16.485 5.619 1.00 1.53 H new ATOM 0 HD2 HIS A 57 -1.355 14.686 7.256 1.00 2.33 H new ATOM 0 HE1 HIS A 57 2.065 14.110 9.705 1.00 25.22 H new ATOM 0 HE2 HIS A 57 -0.395 13.442 9.388 1.00 63.11 H new ATOM 985 N VAL A 58 2.689 13.646 4.836 1.00 71.25 N ATOM 986 CA VAL A 58 3.889 12.896 5.198 1.00 71.05 C ATOM 987 C VAL A 58 4.771 12.523 3.997 1.00 61.03 C ATOM 988 O VAL A 58 4.366 12.600 2.833 1.00 73.44 O ATOM 989 CB VAL A 58 3.426 11.677 6.035 1.00 2.53 C ATOM 990 CG1 VAL A 58 3.195 10.400 5.219 1.00 32.01 C ATOM 991 CG2 VAL A 58 4.391 11.371 7.180 1.00 10.24 C ATOM 0 H VAL A 58 1.914 13.055 4.535 1.00 71.25 H new ATOM 0 HA VAL A 58 4.553 13.523 5.793 1.00 71.05 H new ATOM 0 HB VAL A 58 2.460 11.983 6.436 1.00 2.53 H new ATOM 0 HG11 VAL A 58 2.873 9.597 5.883 1.00 32.01 H new ATOM 0 HG12 VAL A 58 2.425 10.582 4.469 1.00 32.01 H new ATOM 0 HG13 VAL A 58 4.122 10.112 4.724 1.00 32.01 H new ATOM 0 HG21 VAL A 58 4.029 10.510 7.741 1.00 10.24 H new ATOM 0 HG22 VAL A 58 5.378 11.151 6.775 1.00 10.24 H new ATOM 0 HG23 VAL A 58 4.455 12.234 7.842 1.00 10.24 H new ATOM 1001 N ASN A 59 5.993 12.073 4.297 1.00 33.32 N ATOM 1002 CA ASN A 59 6.993 11.640 3.328 1.00 32.13 C ATOM 1003 C ASN A 59 7.204 10.141 3.419 1.00 44.34 C ATOM 1004 O ASN A 59 6.940 9.488 4.436 1.00 42.43 O ATOM 1005 CB ASN A 59 8.325 12.390 3.468 1.00 54.15 C ATOM 1006 CG ASN A 59 8.868 12.424 4.882 1.00 11.23 C ATOM 1007 OD1 ASN A 59 8.798 13.443 5.554 1.00 52.25 O ATOM 1008 ND2 ASN A 59 9.415 11.336 5.384 1.00 63.43 N ATOM 0 H ASN A 59 6.321 11.999 5.260 1.00 33.32 H new ATOM 0 HA ASN A 59 6.604 11.886 2.340 1.00 32.13 H new ATOM 0 HB2 ASN A 59 9.064 11.922 2.817 1.00 54.15 H new ATOM 0 HB3 ASN A 59 8.193 13.413 3.116 1.00 54.15 H new ATOM 0 HD21 ASN A 59 9.782 11.342 6.336 1.00 63.43 H new ATOM 0 HD22 ASN A 59 9.472 10.487 4.821 1.00 63.43 H new ATOM 1015 N MET A 60 7.784 9.606 2.349 1.00 34.22 N ATOM 1016 CA MET A 60 8.039 8.185 2.243 1.00 34.43 C ATOM 1017 C MET A 60 8.961 7.620 3.314 1.00 50.15 C ATOM 1018 O MET A 60 8.751 6.481 3.714 1.00 42.22 O ATOM 1019 CB MET A 60 8.494 7.847 0.816 1.00 53.52 C ATOM 1020 CG MET A 60 7.329 7.865 -0.176 1.00 14.03 C ATOM 1021 SD MET A 60 6.521 6.258 -0.354 1.00 34.35 S ATOM 1022 CE MET A 60 7.692 5.518 -1.527 1.00 70.44 C ATOM 0 H MET A 60 8.087 10.147 1.539 1.00 34.22 H new ATOM 0 HA MET A 60 7.095 7.677 2.441 1.00 34.43 H new ATOM 0 HB2 MET A 60 9.252 8.563 0.498 1.00 53.52 H new ATOM 0 HB3 MET A 60 8.962 6.863 0.808 1.00 53.52 H new ATOM 0 HG2 MET A 60 6.593 8.600 0.151 1.00 14.03 H new ATOM 0 HG3 MET A 60 7.694 8.191 -1.150 1.00 14.03 H new ATOM 0 HE1 MET A 60 7.352 4.519 -1.799 1.00 70.44 H new ATOM 0 HE2 MET A 60 7.751 6.138 -2.422 1.00 70.44 H new ATOM 0 HE3 MET A 60 8.677 5.452 -1.065 1.00 70.44 H new ATOM 1032 N SER A 61 9.898 8.394 3.863 1.00 3.52 N ATOM 1033 CA SER A 61 10.784 7.891 4.915 1.00 71.05 C ATOM 1034 C SER A 61 9.914 7.427 6.100 1.00 21.20 C ATOM 1035 O SER A 61 10.158 6.368 6.686 1.00 33.14 O ATOM 1036 CB SER A 61 11.838 8.948 5.272 1.00 31.12 C ATOM 1037 OG SER A 61 12.737 8.516 6.273 1.00 13.53 O ATOM 0 H SER A 61 10.063 9.365 3.599 1.00 3.52 H new ATOM 0 HA SER A 61 11.355 7.025 4.580 1.00 71.05 H new ATOM 0 HB2 SER A 61 12.400 9.210 4.375 1.00 31.12 H new ATOM 0 HB3 SER A 61 11.336 9.854 5.609 1.00 31.12 H new ATOM 0 HG SER A 61 13.386 9.227 6.459 1.00 13.53 H new ATOM 1043 N GLU A 62 8.904 8.216 6.472 1.00 3.40 N ATOM 1044 CA GLU A 62 8.002 7.887 7.563 1.00 71.42 C ATOM 1045 C GLU A 62 7.117 6.724 7.169 1.00 43.40 C ATOM 1046 O GLU A 62 6.934 5.808 7.969 1.00 2.55 O ATOM 1047 CB GLU A 62 7.112 9.084 7.894 1.00 65.05 C ATOM 1048 CG GLU A 62 7.909 10.200 8.560 1.00 5.52 C ATOM 1049 CD GLU A 62 8.164 9.906 10.055 1.00 50.35 C ATOM 1050 OE1 GLU A 62 8.360 8.729 10.440 1.00 14.12 O ATOM 1051 OE2 GLU A 62 8.158 10.826 10.901 1.00 4.30 O ATOM 0 H GLU A 62 8.693 9.105 6.018 1.00 3.40 H new ATOM 0 HA GLU A 62 8.601 7.622 8.434 1.00 71.42 H new ATOM 0 HB2 GLU A 62 6.650 9.459 6.981 1.00 65.05 H new ATOM 0 HB3 GLU A 62 6.304 8.768 8.554 1.00 65.05 H new ATOM 0 HG2 GLU A 62 8.862 10.323 8.046 1.00 5.52 H new ATOM 0 HG3 GLU A 62 7.369 11.142 8.461 1.00 5.52 H new ATOM 1058 N LEU A 63 6.598 6.732 5.935 1.00 1.24 N ATOM 1059 CA LEU A 63 5.742 5.647 5.466 1.00 41.34 C ATOM 1060 C LEU A 63 6.477 4.316 5.655 1.00 12.34 C ATOM 1061 O LEU A 63 5.948 3.378 6.263 1.00 42.52 O ATOM 1062 CB LEU A 63 5.357 5.906 3.999 1.00 31.35 C ATOM 1063 CG LEU A 63 4.432 4.854 3.375 1.00 45.44 C ATOM 1064 CD1 LEU A 63 5.137 3.570 2.915 1.00 25.15 C ATOM 1065 CD2 LEU A 63 3.280 4.536 4.324 1.00 5.54 C ATOM 0 H LEU A 63 6.757 7.473 5.252 1.00 1.24 H new ATOM 0 HA LEU A 63 4.818 5.598 6.042 1.00 41.34 H new ATOM 0 HB2 LEU A 63 4.871 6.880 3.933 1.00 31.35 H new ATOM 0 HB3 LEU A 63 6.269 5.964 3.405 1.00 31.35 H new ATOM 0 HG LEU A 63 4.046 5.304 2.460 1.00 45.44 H new ATOM 0 HD11 LEU A 63 4.404 2.886 2.488 1.00 25.15 H new ATOM 0 HD12 LEU A 63 5.886 3.816 2.162 1.00 25.15 H new ATOM 0 HD13 LEU A 63 5.622 3.096 3.768 1.00 25.15 H new ATOM 0 HD21 LEU A 63 2.630 3.788 3.870 1.00 5.54 H new ATOM 0 HD22 LEU A 63 3.678 4.149 5.262 1.00 5.54 H new ATOM 0 HD23 LEU A 63 2.708 5.443 4.519 1.00 5.54 H new ATOM 1077 N ILE A 64 7.713 4.268 5.162 1.00 10.54 N ATOM 1078 CA ILE A 64 8.634 3.144 5.237 1.00 53.53 C ATOM 1079 C ILE A 64 8.731 2.729 6.710 1.00 11.53 C ATOM 1080 O ILE A 64 8.585 1.543 7.022 1.00 5.44 O ATOM 1081 CB ILE A 64 9.968 3.583 4.579 1.00 30.12 C ATOM 1082 CG1 ILE A 64 9.792 3.532 3.044 1.00 74.34 C ATOM 1083 CG2 ILE A 64 11.181 2.747 5.000 1.00 25.23 C ATOM 1084 CD1 ILE A 64 10.894 4.256 2.268 1.00 62.10 C ATOM 0 H ILE A 64 8.120 5.064 4.670 1.00 10.54 H new ATOM 0 HA ILE A 64 8.307 2.259 4.691 1.00 53.53 H new ATOM 0 HB ILE A 64 10.182 4.595 4.924 1.00 30.12 H new ATOM 0 HG12 ILE A 64 9.762 2.490 2.726 1.00 74.34 H new ATOM 0 HG13 ILE A 64 8.829 3.972 2.784 1.00 74.34 H new ATOM 0 HG21 ILE A 64 12.072 3.119 4.495 1.00 25.23 H new ATOM 0 HG22 ILE A 64 11.317 2.821 6.079 1.00 25.23 H new ATOM 0 HG23 ILE A 64 11.017 1.705 4.726 1.00 25.23 H new ATOM 0 HD11 ILE A 64 10.699 4.175 1.199 1.00 62.10 H new ATOM 0 HD12 ILE A 64 10.911 5.307 2.555 1.00 62.10 H new ATOM 0 HD13 ILE A 64 11.858 3.802 2.497 1.00 62.10 H new ATOM 1096 N LYS A 65 8.935 3.687 7.627 1.00 24.15 N ATOM 1097 CA LYS A 65 9.016 3.397 9.055 1.00 50.22 C ATOM 1098 C LYS A 65 7.736 2.716 9.537 1.00 30.04 C ATOM 1099 O LYS A 65 7.889 1.735 10.259 1.00 33.22 O ATOM 1100 CB LYS A 65 9.426 4.641 9.878 1.00 41.42 C ATOM 1101 CG LYS A 65 8.895 4.691 11.334 1.00 44.54 C ATOM 1102 CD LYS A 65 7.553 5.439 11.449 1.00 12.45 C ATOM 1103 CE LYS A 65 7.331 6.205 12.759 1.00 41.11 C ATOM 1104 NZ LYS A 65 8.103 7.465 12.818 1.00 70.32 N ATOM 0 H LYS A 65 9.047 4.674 7.396 1.00 24.15 H new ATOM 0 HA LYS A 65 9.822 2.682 9.223 1.00 50.22 H new ATOM 0 HB2 LYS A 65 10.514 4.692 9.906 1.00 41.42 H new ATOM 0 HB3 LYS A 65 9.078 5.531 9.354 1.00 41.42 H new ATOM 0 HG2 LYS A 65 8.773 3.674 11.708 1.00 44.54 H new ATOM 0 HG3 LYS A 65 9.634 5.178 11.970 1.00 44.54 H new ATOM 0 HD2 LYS A 65 7.478 6.143 10.620 1.00 12.45 H new ATOM 0 HD3 LYS A 65 6.744 4.718 11.329 1.00 12.45 H new ATOM 0 HE2 LYS A 65 6.270 6.428 12.870 1.00 41.11 H new ATOM 0 HE3 LYS A 65 7.613 5.570 13.599 1.00 41.11 H new ATOM 0 HZ1 LYS A 65 7.504 8.222 13.205 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 8.934 7.335 13.429 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 8.415 7.726 11.861 1.00 70.32 H new ATOM 1118 N ILE A 66 6.513 3.164 9.205 1.00 25.32 N ATOM 1119 CA ILE A 66 5.297 2.482 9.686 1.00 73.03 C ATOM 1120 C ILE A 66 5.314 1.030 9.201 1.00 1.12 C ATOM 1121 O ILE A 66 5.016 0.122 9.981 1.00 73.00 O ATOM 1122 CB ILE A 66 3.971 3.205 9.304 1.00 4.22 C ATOM 1123 CG1 ILE A 66 3.703 4.448 10.180 1.00 4.33 C ATOM 1124 CG2 ILE A 66 2.739 2.292 9.498 1.00 54.51 C ATOM 1125 CD1 ILE A 66 4.320 5.736 9.646 1.00 5.12 C ATOM 0 H ILE A 66 6.340 3.979 8.617 1.00 25.32 H new ATOM 0 HA ILE A 66 5.316 2.509 10.776 1.00 73.03 H new ATOM 0 HB ILE A 66 4.104 3.483 8.259 1.00 4.22 H new ATOM 0 HG12 ILE A 66 2.626 4.587 10.274 1.00 4.33 H new ATOM 0 HG13 ILE A 66 4.089 4.262 11.182 1.00 4.33 H new ATOM 0 HG21 ILE A 66 1.836 2.836 9.220 1.00 54.51 H new ATOM 0 HG22 ILE A 66 2.839 1.408 8.868 1.00 54.51 H new ATOM 0 HG23 ILE A 66 2.672 1.988 10.543 1.00 54.51 H new ATOM 0 HD11 ILE A 66 4.084 6.559 10.320 1.00 5.12 H new ATOM 0 HD12 ILE A 66 5.402 5.621 9.579 1.00 5.12 H new ATOM 0 HD13 ILE A 66 3.916 5.950 8.657 1.00 5.12 H new ATOM 1137 N ILE A 67 5.662 0.789 7.936 1.00 74.24 N ATOM 1138 CA ILE A 67 5.702 -0.571 7.418 1.00 25.01 C ATOM 1139 C ILE A 67 6.731 -1.385 8.216 1.00 2.42 C ATOM 1140 O ILE A 67 6.391 -2.487 8.653 1.00 70.34 O ATOM 1141 CB ILE A 67 5.864 -0.570 5.875 1.00 14.21 C ATOM 1142 CG1 ILE A 67 4.469 -0.595 5.197 1.00 62.00 C ATOM 1143 CG2 ILE A 67 6.661 -1.772 5.340 1.00 43.54 C ATOM 1144 CD1 ILE A 67 3.601 0.638 5.472 1.00 2.23 C ATOM 0 H ILE A 67 5.917 1.511 7.262 1.00 74.24 H new ATOM 0 HA ILE A 67 4.753 -1.085 7.569 1.00 25.01 H new ATOM 0 HB ILE A 67 6.417 0.339 5.636 1.00 14.21 H new ATOM 0 HG12 ILE A 67 4.605 -0.694 4.120 1.00 62.00 H new ATOM 0 HG13 ILE A 67 3.933 -1.482 5.533 1.00 62.00 H new ATOM 0 HG21 ILE A 67 6.735 -1.706 4.255 1.00 43.54 H new ATOM 0 HG22 ILE A 67 7.662 -1.767 5.772 1.00 43.54 H new ATOM 0 HG23 ILE A 67 6.152 -2.697 5.613 1.00 43.54 H new ATOM 0 HD11 ILE A 67 2.646 0.532 4.958 1.00 2.23 H new ATOM 0 HD12 ILE A 67 3.428 0.729 6.544 1.00 2.23 H new ATOM 0 HD13 ILE A 67 4.111 1.530 5.109 1.00 2.23 H new ATOM 1156 N ARG A 68 7.948 -0.875 8.469 1.00 11.25 N ATOM 1157 CA ARG A 68 8.922 -1.661 9.236 1.00 44.34 C ATOM 1158 C ARG A 68 8.474 -1.847 10.679 1.00 54.34 C ATOM 1159 O ARG A 68 8.686 -2.915 11.245 1.00 33.24 O ATOM 1160 CB ARG A 68 10.333 -1.048 9.224 1.00 65.02 C ATOM 1161 CG ARG A 68 10.981 -0.943 7.834 1.00 14.33 C ATOM 1162 CD ARG A 68 12.511 -1.095 7.910 1.00 12.33 C ATOM 1163 NE ARG A 68 12.955 -2.457 7.569 1.00 2.22 N ATOM 1164 CZ ARG A 68 14.106 -3.038 7.927 1.00 45.10 C ATOM 1165 NH1 ARG A 68 15.035 -2.388 8.618 1.00 63.12 N ATOM 1166 NH2 ARG A 68 14.325 -4.291 7.553 1.00 13.51 N ATOM 0 H ARG A 68 8.271 0.044 8.166 1.00 11.25 H new ATOM 0 HA ARG A 68 8.970 -2.629 8.738 1.00 44.34 H new ATOM 0 HB2 ARG A 68 10.284 -0.051 9.662 1.00 65.02 H new ATOM 0 HB3 ARG A 68 10.979 -1.647 9.866 1.00 65.02 H new ATOM 0 HG2 ARG A 68 10.570 -1.713 7.181 1.00 14.33 H new ATOM 0 HG3 ARG A 68 10.732 0.020 7.387 1.00 14.33 H new ATOM 0 HD2 ARG A 68 12.979 -0.382 7.231 1.00 12.33 H new ATOM 0 HD3 ARG A 68 12.849 -0.846 8.916 1.00 12.33 H new ATOM 0 HE ARG A 68 12.319 -3.016 7.001 1.00 2.22 H new ATOM 0 HH11 ARG A 68 14.882 -1.417 8.891 1.00 63.12 H new ATOM 0 HH12 ARG A 68 15.902 -2.859 8.876 1.00 63.12 H new ATOM 0 HH21 ARG A 68 13.624 -4.790 7.005 1.00 13.51 H new ATOM 0 HH22 ARG A 68 15.195 -4.756 7.813 1.00 13.51 H new ATOM 1180 N ARG A 69 7.768 -0.860 11.234 1.00 52.50 N ATOM 1181 CA ARG A 69 7.273 -0.835 12.599 1.00 34.01 C ATOM 1182 C ARG A 69 6.387 -2.031 12.858 1.00 51.52 C ATOM 1183 O ARG A 69 6.655 -2.779 13.789 1.00 24.32 O ATOM 1184 CB ARG A 69 6.438 0.434 12.837 1.00 32.43 C ATOM 1185 CG ARG A 69 6.190 0.749 14.313 1.00 21.33 C ATOM 1186 CD ARG A 69 7.385 1.512 14.911 1.00 34.23 C ATOM 1187 NE ARG A 69 6.962 2.653 15.729 1.00 50.52 N ATOM 1188 CZ ARG A 69 7.709 3.351 16.588 1.00 51.32 C ATOM 1189 NH1 ARG A 69 9.019 3.150 16.674 1.00 5.44 N ATOM 1190 NH2 ARG A 69 7.124 4.259 17.352 1.00 42.21 N ATOM 0 H ARG A 69 7.517 -0.019 10.713 1.00 52.50 H new ATOM 0 HA ARG A 69 8.133 -0.853 13.268 1.00 34.01 H new ATOM 0 HB2 ARG A 69 6.945 1.282 12.376 1.00 32.43 H new ATOM 0 HB3 ARG A 69 5.478 0.324 12.333 1.00 32.43 H new ATOM 0 HG2 ARG A 69 5.283 1.344 14.416 1.00 21.33 H new ATOM 0 HG3 ARG A 69 6.029 -0.176 14.866 1.00 21.33 H new ATOM 0 HD2 ARG A 69 7.980 0.832 15.520 1.00 34.23 H new ATOM 0 HD3 ARG A 69 8.029 1.864 14.105 1.00 34.23 H new ATOM 0 HE ARG A 69 5.990 2.946 15.631 1.00 50.52 H new ATOM 0 HH11 ARG A 69 9.468 2.454 16.079 1.00 5.44 H new ATOM 0 HH12 ARG A 69 9.576 3.691 17.335 1.00 5.44 H new ATOM 0 HH21 ARG A 69 6.119 4.416 17.279 1.00 42.21 H new ATOM 0 HH22 ARG A 69 7.678 4.802 18.014 1.00 42.21 H new ATOM 1204 N ARG A 70 5.318 -2.182 12.087 1.00 64.11 N ATOM 1205 CA ARG A 70 4.403 -3.297 12.293 1.00 44.41 C ATOM 1206 C ARG A 70 4.972 -4.629 11.799 1.00 71.04 C ATOM 1207 O ARG A 70 4.651 -5.677 12.368 1.00 44.32 O ATOM 1208 CB ARG A 70 3.012 -2.954 11.761 1.00 4.22 C ATOM 1209 CG ARG A 70 2.979 -2.666 10.241 1.00 71.43 C ATOM 1210 CD ARG A 70 1.774 -3.225 9.468 1.00 71.24 C ATOM 1211 NE ARG A 70 1.165 -4.413 10.089 1.00 73.14 N ATOM 1212 CZ ARG A 70 1.438 -5.710 9.937 1.00 70.40 C ATOM 1213 NH1 ARG A 70 2.278 -6.128 8.997 1.00 42.54 N ATOM 1214 NH2 ARG A 70 0.876 -6.579 10.761 1.00 14.21 N ATOM 0 H ARG A 70 5.065 -1.556 11.323 1.00 64.11 H new ATOM 0 HA ARG A 70 4.285 -3.454 13.365 1.00 44.41 H new ATOM 0 HB2 ARG A 70 2.336 -3.780 11.980 1.00 4.22 H new ATOM 0 HB3 ARG A 70 2.634 -2.082 12.295 1.00 4.22 H new ATOM 0 HG2 ARG A 70 3.007 -1.586 10.097 1.00 71.43 H new ATOM 0 HG3 ARG A 70 3.888 -3.070 9.796 1.00 71.43 H new ATOM 0 HD2 ARG A 70 1.018 -2.445 9.380 1.00 71.24 H new ATOM 0 HD3 ARG A 70 2.090 -3.478 8.456 1.00 71.24 H new ATOM 0 HE ARG A 70 0.409 -4.211 10.744 1.00 73.14 H new ATOM 0 HH11 ARG A 70 2.726 -5.453 8.377 1.00 42.54 H new ATOM 0 HH12 ARG A 70 2.475 -7.124 8.895 1.00 42.54 H new ATOM 0 HH21 ARG A 70 0.247 -6.253 11.495 1.00 14.21 H new ATOM 0 HH22 ARG A 70 1.071 -7.575 10.662 1.00 14.21 H new ATOM 1228 N LEU A 71 5.774 -4.624 10.726 1.00 61.32 N ATOM 1229 CA LEU A 71 6.372 -5.849 10.194 1.00 44.30 C ATOM 1230 C LEU A 71 7.333 -6.455 11.212 1.00 10.14 C ATOM 1231 O LEU A 71 7.349 -7.674 11.352 1.00 62.42 O ATOM 1232 CB LEU A 71 7.124 -5.592 8.883 1.00 61.40 C ATOM 1233 CG LEU A 71 6.277 -5.566 7.599 1.00 12.52 C ATOM 1234 CD1 LEU A 71 7.207 -5.337 6.409 1.00 4.55 C ATOM 1235 CD2 LEU A 71 5.535 -6.886 7.395 1.00 25.33 C ATOM 0 H LEU A 71 6.022 -3.780 10.210 1.00 61.32 H new ATOM 0 HA LEU A 71 5.557 -6.544 9.993 1.00 44.30 H new ATOM 0 HB2 LEU A 71 7.643 -4.637 8.969 1.00 61.40 H new ATOM 0 HB3 LEU A 71 7.888 -6.361 8.772 1.00 61.40 H new ATOM 0 HG LEU A 71 5.540 -4.767 7.684 1.00 12.52 H new ATOM 0 HD11 LEU A 71 6.622 -5.316 5.489 1.00 4.55 H new ATOM 0 HD12 LEU A 71 7.727 -4.387 6.531 1.00 4.55 H new ATOM 0 HD13 LEU A 71 7.937 -6.145 6.357 1.00 4.55 H new ATOM 0 HD21 LEU A 71 4.946 -6.835 6.479 1.00 25.33 H new ATOM 0 HD22 LEU A 71 6.256 -7.700 7.318 1.00 25.33 H new ATOM 0 HD23 LEU A 71 4.873 -7.066 8.242 1.00 25.33 H new ATOM 1247 N GLN A 72 8.065 -5.624 11.957 1.00 64.41 N ATOM 1248 CA GLN A 72 9.028 -6.038 12.974 1.00 53.41 C ATOM 1249 C GLN A 72 10.087 -6.969 12.380 1.00 44.43 C ATOM 1250 O GLN A 72 10.249 -8.115 12.793 1.00 30.43 O ATOM 1251 CB GLN A 72 8.351 -6.565 14.239 1.00 41.23 C ATOM 1252 CG GLN A 72 7.422 -5.477 14.791 1.00 1.54 C ATOM 1253 CD GLN A 72 6.603 -5.936 15.967 1.00 2.12 C ATOM 1254 OE1 GLN A 72 6.452 -5.233 16.963 1.00 2.13 O ATOM 1255 NE2 GLN A 72 5.996 -7.088 15.823 1.00 12.32 N ATOM 0 H GLN A 72 8.000 -4.610 11.864 1.00 64.41 H new ATOM 0 HA GLN A 72 9.569 -5.155 13.313 1.00 53.41 H new ATOM 0 HB2 GLN A 72 7.783 -7.468 14.015 1.00 41.23 H new ATOM 0 HB3 GLN A 72 9.100 -6.835 14.983 1.00 41.23 H new ATOM 0 HG2 GLN A 72 8.019 -4.615 15.087 1.00 1.54 H new ATOM 0 HG3 GLN A 72 6.752 -5.144 13.998 1.00 1.54 H new ATOM 0 HE21 GLN A 72 6.148 -7.643 14.980 1.00 12.32 H new ATOM 0 HE22 GLN A 72 5.372 -7.430 16.553 1.00 12.32 H new ATOM 1264 N LEU A 73 10.765 -6.466 11.347 1.00 2.24 N ATOM 1265 CA LEU A 73 11.834 -7.164 10.634 1.00 22.42 C ATOM 1266 C LEU A 73 13.052 -7.312 11.545 1.00 62.44 C ATOM 1267 O LEU A 73 13.108 -6.749 12.640 1.00 50.22 O ATOM 1268 CB LEU A 73 12.314 -6.380 9.391 1.00 13.13 C ATOM 1269 CG LEU A 73 11.309 -6.076 8.279 1.00 42.12 C ATOM 1270 CD1 LEU A 73 10.474 -7.299 7.910 1.00 63.04 C ATOM 1271 CD2 LEU A 73 10.438 -4.868 8.623 1.00 4.32 C ATOM 0 H LEU A 73 10.580 -5.535 10.973 1.00 2.24 H new ATOM 0 HA LEU A 73 11.425 -8.128 10.330 1.00 22.42 H new ATOM 0 HB2 LEU A 73 12.721 -5.430 9.737 1.00 13.13 H new ATOM 0 HB3 LEU A 73 13.139 -6.938 8.947 1.00 13.13 H new ATOM 0 HG LEU A 73 11.884 -5.814 7.391 1.00 42.12 H new ATOM 0 HD11 LEU A 73 9.774 -7.036 7.117 1.00 63.04 H new ATOM 0 HD12 LEU A 73 11.131 -8.097 7.565 1.00 63.04 H new ATOM 0 HD13 LEU A 73 9.919 -7.638 8.785 1.00 63.04 H new ATOM 0 HD21 LEU A 73 9.736 -4.682 7.810 1.00 4.32 H new ATOM 0 HD22 LEU A 73 9.885 -5.068 9.541 1.00 4.32 H new ATOM 0 HD23 LEU A 73 11.071 -3.992 8.764 1.00 4.32 H new ATOM 1283 N ASN A 74 14.062 -8.034 11.053 1.00 61.21 N ATOM 1284 CA ASN A 74 15.302 -8.237 11.782 1.00 43.30 C ATOM 1285 C ASN A 74 16.007 -6.898 11.990 1.00 10.54 C ATOM 1286 O ASN A 74 15.686 -5.885 11.358 1.00 24.41 O ATOM 1287 CB ASN A 74 16.247 -9.145 10.990 1.00 54.31 C ATOM 1288 CG ASN A 74 17.059 -10.076 11.865 1.00 12.32 C ATOM 1289 OD1 ASN A 74 17.391 -9.772 13.007 1.00 75.43 O ATOM 1290 ND2 ASN A 74 17.452 -11.190 11.287 1.00 40.43 N ATOM 0 H ASN A 74 14.037 -8.490 10.141 1.00 61.21 H new ATOM 0 HA ASN A 74 15.058 -8.696 12.740 1.00 43.30 H new ATOM 0 HB2 ASN A 74 15.664 -9.737 10.285 1.00 54.31 H new ATOM 0 HB3 ASN A 74 16.925 -8.527 10.402 1.00 54.31 H new ATOM 0 HD21 ASN A 74 18.056 -11.840 11.790 1.00 40.43 H new ATOM 0 HD22 ASN A 74 17.153 -11.404 10.336 1.00 40.43 H new ATOM 1297 N ALA A 75 17.023 -6.918 12.840 1.00 22.04 N ATOM 1298 CA ALA A 75 17.817 -5.754 13.173 1.00 10.43 C ATOM 1299 C ALA A 75 18.890 -5.515 12.122 1.00 52.13 C ATOM 1300 O ALA A 75 19.209 -4.361 11.833 1.00 42.11 O ATOM 1301 CB ALA A 75 18.480 -5.975 14.536 1.00 25.45 C ATOM 0 H ALA A 75 17.321 -7.764 13.326 1.00 22.04 H new ATOM 0 HA ALA A 75 17.166 -4.881 13.207 1.00 10.43 H new ATOM 0 HB1 ALA A 75 19.080 -5.103 14.794 1.00 25.45 H new ATOM 0 HB2 ALA A 75 17.712 -6.124 15.294 1.00 25.45 H new ATOM 0 HB3 ALA A 75 19.121 -6.856 14.490 1.00 25.45 H new ATOM 1307 N ASN A 76 19.424 -6.605 11.561 1.00 21.41 N ATOM 1308 CA ASN A 76 20.492 -6.573 10.562 1.00 71.22 C ATOM 1309 C ASN A 76 19.980 -6.686 9.137 1.00 70.34 C ATOM 1310 O ASN A 76 20.768 -6.533 8.203 1.00 11.35 O ATOM 1311 CB ASN A 76 21.457 -7.752 10.793 1.00 10.24 C ATOM 1312 CG ASN A 76 20.764 -9.070 10.466 1.00 23.31 C ATOM 1313 OD1 ASN A 76 20.759 -9.530 9.325 1.00 13.15 O ATOM 1314 ND2 ASN A 76 20.061 -9.636 11.427 1.00 55.11 N ATOM 0 H ASN A 76 19.119 -7.550 11.794 1.00 21.41 H new ATOM 0 HA ASN A 76 20.986 -5.609 10.680 1.00 71.22 H new ATOM 0 HB2 ASN A 76 22.343 -7.634 10.169 1.00 10.24 H new ATOM 0 HB3 ASN A 76 21.795 -7.757 11.829 1.00 10.24 H new ATOM 0 HD21 ASN A 76 19.503 -10.467 11.229 1.00 55.11 H new ATOM 0 HD22 ASN A 76 20.075 -9.243 12.368 1.00 55.11 H new ATOM 1321 N GLN A 77 18.711 -7.057 8.954 1.00 50.23 N ATOM 1322 CA GLN A 77 18.185 -7.198 7.600 1.00 54.43 C ATOM 1323 C GLN A 77 17.583 -5.858 7.185 1.00 70.14 C ATOM 1324 O GLN A 77 16.892 -5.233 7.992 1.00 25.02 O ATOM 1325 CB GLN A 77 17.245 -8.411 7.492 1.00 34.11 C ATOM 1326 CG GLN A 77 15.749 -8.080 7.599 1.00 65.21 C ATOM 1327 CD GLN A 77 14.849 -9.202 7.104 1.00 65.41 C ATOM 1328 OE1 GLN A 77 13.972 -9.666 7.822 1.00 24.45 O ATOM 1329 NE2 GLN A 77 15.000 -9.590 5.849 1.00 34.21 N ATOM 0 H GLN A 77 18.048 -7.259 9.702 1.00 50.23 H new ATOM 0 HA GLN A 77 18.974 -7.426 6.883 1.00 54.43 H new ATOM 0 HB2 GLN A 77 17.425 -8.908 6.539 1.00 34.11 H new ATOM 0 HB3 GLN A 77 17.502 -9.123 8.277 1.00 34.11 H new ATOM 0 HG2 GLN A 77 15.506 -7.860 8.639 1.00 65.21 H new ATOM 0 HG3 GLN A 77 15.542 -7.177 7.025 1.00 65.21 H new ATOM 0 HE21 GLN A 77 15.740 -9.185 5.276 1.00 34.21 H new ATOM 0 HE22 GLN A 77 14.376 -10.294 5.454 1.00 34.21 H new ATOM 1338 N ALA A 78 17.848 -5.403 5.960 1.00 31.03 N ATOM 1339 CA ALA A 78 17.332 -4.140 5.437 1.00 10.41 C ATOM 1340 C ALA A 78 16.467 -4.362 4.194 1.00 24.32 C ATOM 1341 O ALA A 78 16.411 -5.476 3.668 1.00 22.43 O ATOM 1342 CB ALA A 78 18.493 -3.169 5.190 1.00 45.10 C ATOM 0 H ALA A 78 18.434 -5.908 5.296 1.00 31.03 H new ATOM 0 HA ALA A 78 16.675 -3.686 6.179 1.00 10.41 H new ATOM 0 HB1 ALA A 78 18.104 -2.228 4.800 1.00 45.10 H new ATOM 0 HB2 ALA A 78 19.018 -2.984 6.127 1.00 45.10 H new ATOM 0 HB3 ALA A 78 19.183 -3.604 4.467 1.00 45.10 H new ATOM 1348 N PHE A 79 15.790 -3.309 3.720 1.00 23.33 N ATOM 1349 CA PHE A 79 14.930 -3.366 2.542 1.00 33.03 C ATOM 1350 C PHE A 79 14.844 -2.029 1.806 1.00 51.34 C ATOM 1351 O PHE A 79 15.464 -1.050 2.221 1.00 32.53 O ATOM 1352 CB PHE A 79 13.530 -3.858 2.934 1.00 24.44 C ATOM 1353 CG PHE A 79 12.502 -2.804 3.296 1.00 32.34 C ATOM 1354 CD1 PHE A 79 12.798 -1.768 4.201 1.00 63.32 C ATOM 1355 CD2 PHE A 79 11.215 -2.886 2.733 1.00 30.15 C ATOM 1356 CE1 PHE A 79 11.806 -0.839 4.543 1.00 14.25 C ATOM 1357 CE2 PHE A 79 10.221 -1.957 3.080 1.00 12.31 C ATOM 1358 CZ PHE A 79 10.515 -0.932 3.992 1.00 34.34 C ATOM 0 H PHE A 79 15.827 -2.386 4.152 1.00 23.33 H new ATOM 0 HA PHE A 79 15.383 -4.074 1.848 1.00 33.03 H new ATOM 0 HB2 PHE A 79 13.134 -4.446 2.106 1.00 24.44 H new ATOM 0 HB3 PHE A 79 13.635 -4.534 3.783 1.00 24.44 H new ATOM 0 HD1 PHE A 79 13.786 -1.689 4.630 1.00 63.32 H new ATOM 0 HD2 PHE A 79 10.989 -3.671 2.027 1.00 30.15 H new ATOM 0 HE1 PHE A 79 12.035 -0.044 5.237 1.00 14.25 H new ATOM 0 HE2 PHE A 79 9.234 -2.031 2.647 1.00 12.31 H new ATOM 0 HZ PHE A 79 9.754 -0.218 4.270 1.00 34.34 H new ATOM 1368 N PHE A 80 14.071 -2.014 0.722 1.00 53.12 N ATOM 1369 CA PHE A 80 13.777 -0.902 -0.162 1.00 22.22 C ATOM 1370 C PHE A 80 12.293 -1.008 -0.540 1.00 74.43 C ATOM 1371 O PHE A 80 11.710 -2.098 -0.514 1.00 32.33 O ATOM 1372 CB PHE A 80 14.681 -0.983 -1.400 1.00 34.25 C ATOM 1373 CG PHE A 80 16.153 -0.761 -1.105 1.00 4.44 C ATOM 1374 CD1 PHE A 80 16.962 -1.836 -0.690 1.00 51.41 C ATOM 1375 CD2 PHE A 80 16.728 0.515 -1.267 1.00 14.01 C ATOM 1376 CE1 PHE A 80 18.327 -1.634 -0.429 1.00 41.01 C ATOM 1377 CE2 PHE A 80 18.097 0.711 -1.022 1.00 43.30 C ATOM 1378 CZ PHE A 80 18.897 -0.361 -0.596 1.00 43.02 C ATOM 0 H PHE A 80 13.593 -2.862 0.417 1.00 53.12 H new ATOM 0 HA PHE A 80 13.966 0.058 0.317 1.00 22.22 H new ATOM 0 HB2 PHE A 80 14.558 -1.962 -1.864 1.00 34.25 H new ATOM 0 HB3 PHE A 80 14.351 -0.241 -2.127 1.00 34.25 H new ATOM 0 HD1 PHE A 80 16.531 -2.819 -0.572 1.00 51.41 H new ATOM 0 HD2 PHE A 80 16.114 1.346 -1.581 1.00 14.01 H new ATOM 0 HE1 PHE A 80 18.940 -2.460 -0.099 1.00 41.01 H new ATOM 0 HE2 PHE A 80 18.535 1.688 -1.162 1.00 43.30 H new ATOM 0 HZ PHE A 80 19.947 -0.208 -0.397 1.00 43.02 H new ATOM 1388 N LEU A 81 11.683 0.128 -0.881 1.00 11.02 N ATOM 1389 CA LEU A 81 10.290 0.300 -1.284 1.00 12.34 C ATOM 1390 C LEU A 81 10.345 0.989 -2.641 1.00 73.34 C ATOM 1391 O LEU A 81 10.668 2.174 -2.722 1.00 33.54 O ATOM 1392 CB LEU A 81 9.551 1.142 -0.233 1.00 30.33 C ATOM 1393 CG LEU A 81 8.101 1.487 -0.623 1.00 21.25 C ATOM 1394 CD1 LEU A 81 7.189 0.255 -0.572 1.00 24.42 C ATOM 1395 CD2 LEU A 81 7.584 2.551 0.349 1.00 23.33 C ATOM 0 H LEU A 81 12.187 1.015 -0.882 1.00 11.02 H new ATOM 0 HA LEU A 81 9.747 -0.642 -1.358 1.00 12.34 H new ATOM 0 HB2 LEU A 81 9.544 0.601 0.713 1.00 30.33 H new ATOM 0 HB3 LEU A 81 10.103 2.067 -0.068 1.00 30.33 H new ATOM 0 HG LEU A 81 8.091 1.857 -1.648 1.00 21.25 H new ATOM 0 HD11 LEU A 81 6.176 0.541 -0.854 1.00 24.42 H new ATOM 0 HD12 LEU A 81 7.559 -0.501 -1.265 1.00 24.42 H new ATOM 0 HD13 LEU A 81 7.183 -0.152 0.439 1.00 24.42 H new ATOM 0 HD21 LEU A 81 6.557 2.811 0.091 1.00 23.33 H new ATOM 0 HD22 LEU A 81 7.615 2.160 1.366 1.00 23.33 H new ATOM 0 HD23 LEU A 81 8.211 3.440 0.282 1.00 23.33 H new ATOM 1407 N LEU A 82 10.103 0.228 -3.696 1.00 50.44 N ATOM 1408 CA LEU A 82 10.134 0.657 -5.080 1.00 43.43 C ATOM 1409 C LEU A 82 8.704 0.959 -5.538 1.00 30.15 C ATOM 1410 O LEU A 82 7.746 0.392 -5.005 1.00 41.22 O ATOM 1411 CB LEU A 82 10.791 -0.460 -5.912 1.00 32.51 C ATOM 1412 CG LEU A 82 12.177 -0.970 -5.431 1.00 71.42 C ATOM 1413 CD1 LEU A 82 12.095 -1.966 -4.261 1.00 31.45 C ATOM 1414 CD2 LEU A 82 12.907 -1.656 -6.590 1.00 53.40 C ATOM 0 H LEU A 82 9.867 -0.760 -3.602 1.00 50.44 H new ATOM 0 HA LEU A 82 10.718 1.568 -5.208 1.00 43.43 H new ATOM 0 HB2 LEU A 82 10.108 -1.309 -5.940 1.00 32.51 H new ATOM 0 HB3 LEU A 82 10.897 -0.103 -6.936 1.00 32.51 H new ATOM 0 HG LEU A 82 12.716 -0.090 -5.080 1.00 71.42 H new ATOM 0 HD11 LEU A 82 13.100 -2.279 -3.979 1.00 31.45 H new ATOM 0 HD12 LEU A 82 11.611 -1.488 -3.409 1.00 31.45 H new ATOM 0 HD13 LEU A 82 11.516 -2.838 -4.565 1.00 31.45 H new ATOM 0 HD21 LEU A 82 13.879 -2.012 -6.248 1.00 53.40 H new ATOM 0 HD22 LEU A 82 12.315 -2.500 -6.944 1.00 53.40 H new ATOM 0 HD23 LEU A 82 13.047 -0.944 -7.404 1.00 53.40 H new ATOM 1426 N VAL A 83 8.517 1.845 -6.516 1.00 34.15 N ATOM 1427 CA VAL A 83 7.185 2.182 -7.019 1.00 41.34 C ATOM 1428 C VAL A 83 7.016 1.366 -8.286 1.00 24.12 C ATOM 1429 O VAL A 83 7.917 1.339 -9.111 1.00 70.23 O ATOM 1430 CB VAL A 83 7.013 3.695 -7.202 1.00 1.41 C ATOM 1431 CG1 VAL A 83 5.517 3.982 -7.397 1.00 21.41 C ATOM 1432 CG2 VAL A 83 7.484 4.468 -5.953 1.00 31.22 C ATOM 0 H VAL A 83 9.276 2.345 -6.978 1.00 34.15 H new ATOM 0 HA VAL A 83 6.393 1.930 -6.314 1.00 41.34 H new ATOM 0 HB VAL A 83 7.607 4.014 -8.058 1.00 1.41 H new ATOM 0 HG11 VAL A 83 5.366 5.053 -7.530 1.00 21.41 H new ATOM 0 HG12 VAL A 83 5.157 3.453 -8.279 1.00 21.41 H new ATOM 0 HG13 VAL A 83 4.964 3.644 -6.520 1.00 21.41 H new ATOM 0 HG21 VAL A 83 7.349 5.537 -6.115 1.00 31.22 H new ATOM 0 HG22 VAL A 83 6.898 4.155 -5.089 1.00 31.22 H new ATOM 0 HG23 VAL A 83 8.538 4.259 -5.772 1.00 31.22 H new ATOM 1442 N ASN A 84 5.942 0.583 -8.404 1.00 5.04 N ATOM 1443 CA ASN A 84 5.681 -0.301 -9.552 1.00 23.25 C ATOM 1444 C ASN A 84 6.712 -1.444 -9.653 1.00 5.23 C ATOM 1445 O ASN A 84 6.511 -2.399 -10.402 1.00 70.50 O ATOM 1446 CB ASN A 84 5.619 0.456 -10.897 1.00 42.33 C ATOM 1447 CG ASN A 84 4.620 1.598 -10.920 1.00 14.21 C ATOM 1448 OD1 ASN A 84 3.465 1.403 -10.556 1.00 50.44 O ATOM 1449 ND2 ASN A 84 5.010 2.781 -11.355 1.00 71.24 N ATOM 0 H ASN A 84 5.212 0.542 -7.693 1.00 5.04 H new ATOM 0 HA ASN A 84 4.697 -0.728 -9.361 1.00 23.25 H new ATOM 0 HB2 ASN A 84 6.609 0.849 -11.126 1.00 42.33 H new ATOM 0 HB3 ASN A 84 5.366 -0.250 -11.688 1.00 42.33 H new ATOM 0 HD21 ASN A 84 4.346 3.555 -11.393 1.00 71.24 H new ATOM 0 HD22 ASN A 84 5.975 2.922 -11.653 1.00 71.24 H new ATOM 1456 N GLY A 85 7.761 -1.412 -8.825 1.00 72.44 N ATOM 1457 CA GLY A 85 8.879 -2.334 -8.744 1.00 1.11 C ATOM 1458 C GLY A 85 10.175 -1.625 -9.161 1.00 14.41 C ATOM 1459 O GLY A 85 11.187 -2.295 -9.320 1.00 65.54 O ATOM 0 H GLY A 85 7.849 -0.667 -8.134 1.00 72.44 H new ATOM 0 HA2 GLY A 85 8.974 -2.715 -7.727 1.00 1.11 H new ATOM 0 HA3 GLY A 85 8.700 -3.193 -9.391 1.00 1.11 H new ATOM 1463 N HIS A 86 10.169 -0.290 -9.301 1.00 45.22 N ATOM 1464 CA HIS A 86 11.306 0.519 -9.722 1.00 21.12 C ATOM 1465 C HIS A 86 11.364 1.813 -8.895 1.00 70.50 C ATOM 1466 O HIS A 86 10.404 2.575 -8.846 1.00 54.40 O ATOM 1467 CB HIS A 86 11.136 0.825 -11.225 1.00 33.34 C ATOM 1468 CG HIS A 86 10.606 -0.347 -12.029 1.00 3.13 C ATOM 1469 ND1 HIS A 86 11.304 -1.471 -12.410 1.00 1.02 N ATOM 1470 CD2 HIS A 86 9.289 -0.556 -12.340 1.00 14.03 C ATOM 1471 CE1 HIS A 86 10.430 -2.325 -12.966 1.00 44.42 C ATOM 1472 NE2 HIS A 86 9.180 -1.822 -12.939 1.00 72.53 N ATOM 0 H HIS A 86 9.337 0.270 -9.115 1.00 45.22 H new ATOM 0 HA HIS A 86 12.243 -0.014 -9.560 1.00 21.12 H new ATOM 0 HB2 HIS A 86 10.457 1.670 -11.340 1.00 33.34 H new ATOM 0 HB3 HIS A 86 12.098 1.131 -11.636 1.00 33.34 H new ATOM 0 HD2 HIS A 86 8.477 0.132 -12.157 1.00 14.03 H new ATOM 0 HE1 HIS A 86 10.694 -3.287 -13.380 1.00 44.42 H new ATOM 0 HE2 HIS A 86 8.330 -2.269 -13.283 1.00 72.53 H new ATOM 1480 N SER A 87 12.448 2.060 -8.162 1.00 71.33 N ATOM 1481 CA SER A 87 12.587 3.274 -7.368 1.00 42.31 C ATOM 1482 C SER A 87 12.914 4.469 -8.272 1.00 10.41 C ATOM 1483 O SER A 87 14.083 4.768 -8.509 1.00 72.21 O ATOM 1484 CB SER A 87 13.656 3.068 -6.291 1.00 64.11 C ATOM 1485 OG SER A 87 13.049 2.499 -5.151 1.00 62.52 O ATOM 0 H SER A 87 13.247 1.429 -8.103 1.00 71.33 H new ATOM 0 HA SER A 87 11.643 3.492 -6.869 1.00 42.31 H new ATOM 0 HB2 SER A 87 14.446 2.416 -6.663 1.00 64.11 H new ATOM 0 HB3 SER A 87 14.122 4.019 -6.035 1.00 64.11 H new ATOM 0 HG SER A 87 13.725 2.361 -4.455 1.00 62.52 H new ATOM 1491 N MET A 88 11.893 5.179 -8.760 1.00 65.24 N ATOM 1492 CA MET A 88 12.051 6.360 -9.615 1.00 12.44 C ATOM 1493 C MET A 88 11.784 7.642 -8.813 1.00 72.52 C ATOM 1494 O MET A 88 11.577 8.711 -9.394 1.00 34.33 O ATOM 1495 CB MET A 88 11.141 6.316 -10.849 1.00 33.51 C ATOM 1496 CG MET A 88 10.999 4.939 -11.478 1.00 31.51 C ATOM 1497 SD MET A 88 10.441 4.984 -13.204 1.00 25.43 S ATOM 1498 CE MET A 88 8.810 5.746 -12.997 1.00 33.21 C ATOM 0 H MET A 88 10.918 4.946 -8.570 1.00 65.24 H new ATOM 0 HA MET A 88 13.082 6.359 -9.969 1.00 12.44 H new ATOM 0 HB2 MET A 88 10.152 6.677 -10.568 1.00 33.51 H new ATOM 0 HB3 MET A 88 11.532 7.005 -11.598 1.00 33.51 H new ATOM 0 HG2 MET A 88 11.959 4.425 -11.428 1.00 31.51 H new ATOM 0 HG3 MET A 88 10.292 4.352 -10.891 1.00 31.51 H new ATOM 0 HE1 MET A 88 8.307 5.798 -13.963 1.00 33.21 H new ATOM 0 HE2 MET A 88 8.213 5.147 -12.309 1.00 33.21 H new ATOM 0 HE3 MET A 88 8.927 6.752 -12.594 1.00 33.21 H new ATOM 1508 N VAL A 89 11.735 7.548 -7.483 1.00 22.22 N ATOM 1509 CA VAL A 89 11.485 8.666 -6.586 1.00 5.10 C ATOM 1510 C VAL A 89 12.304 8.447 -5.300 1.00 63.24 C ATOM 1511 O VAL A 89 12.689 7.308 -5.016 1.00 74.14 O ATOM 1512 CB VAL A 89 9.951 8.757 -6.425 1.00 65.43 C ATOM 1513 CG1 VAL A 89 9.384 7.797 -5.367 1.00 22.21 C ATOM 1514 CG2 VAL A 89 9.493 10.189 -6.148 1.00 25.52 C ATOM 0 H VAL A 89 11.873 6.665 -6.991 1.00 22.22 H new ATOM 0 HA VAL A 89 11.815 9.637 -6.954 1.00 5.10 H new ATOM 0 HB VAL A 89 9.544 8.439 -7.385 1.00 65.43 H new ATOM 0 HG11 VAL A 89 8.302 7.917 -5.309 1.00 22.21 H new ATOM 0 HG12 VAL A 89 9.621 6.770 -5.644 1.00 22.21 H new ATOM 0 HG13 VAL A 89 9.826 8.023 -4.397 1.00 22.21 H new ATOM 0 HG21 VAL A 89 8.408 10.210 -6.041 1.00 25.52 H new ATOM 0 HG22 VAL A 89 9.955 10.547 -5.228 1.00 25.52 H new ATOM 0 HG23 VAL A 89 9.788 10.832 -6.977 1.00 25.52 H new ATOM 1524 N SER A 90 12.578 9.498 -4.520 1.00 10.12 N ATOM 1525 CA SER A 90 13.366 9.410 -3.285 1.00 63.25 C ATOM 1526 C SER A 90 12.477 9.268 -2.038 1.00 30.11 C ATOM 1527 O SER A 90 11.311 9.669 -2.043 1.00 45.42 O ATOM 1528 CB SER A 90 14.263 10.654 -3.220 1.00 32.30 C ATOM 1529 OG SER A 90 15.397 10.456 -2.404 1.00 24.34 O ATOM 0 H SER A 90 12.256 10.443 -4.730 1.00 10.12 H new ATOM 0 HA SER A 90 13.980 8.510 -3.298 1.00 63.25 H new ATOM 0 HB2 SER A 90 14.585 10.920 -4.227 1.00 32.30 H new ATOM 0 HB3 SER A 90 13.686 11.496 -2.837 1.00 32.30 H new ATOM 0 HG SER A 90 15.939 11.272 -2.394 1.00 24.34 H new ATOM 1535 N VAL A 91 13.033 8.763 -0.930 1.00 51.31 N ATOM 1536 CA VAL A 91 12.287 8.564 0.318 1.00 54.35 C ATOM 1537 C VAL A 91 11.876 9.869 1.017 1.00 63.21 C ATOM 1538 O VAL A 91 10.898 9.877 1.766 1.00 52.43 O ATOM 1539 CB VAL A 91 13.035 7.618 1.280 1.00 12.41 C ATOM 1540 CG1 VAL A 91 13.198 6.225 0.656 1.00 71.30 C ATOM 1541 CG2 VAL A 91 14.395 8.161 1.747 1.00 11.11 C ATOM 0 H VAL A 91 14.012 8.481 -0.874 1.00 51.31 H new ATOM 0 HA VAL A 91 11.353 8.085 0.024 1.00 54.35 H new ATOM 0 HB VAL A 91 12.413 7.545 2.172 1.00 12.41 H new ATOM 0 HG11 VAL A 91 13.728 5.574 1.352 1.00 71.30 H new ATOM 0 HG12 VAL A 91 12.215 5.804 0.443 1.00 71.30 H new ATOM 0 HG13 VAL A 91 13.767 6.306 -0.270 1.00 71.30 H new ATOM 0 HG21 VAL A 91 14.862 7.442 2.420 1.00 11.11 H new ATOM 0 HG22 VAL A 91 15.039 8.320 0.882 1.00 11.11 H new ATOM 0 HG23 VAL A 91 14.249 9.106 2.270 1.00 11.11 H new ATOM 1551 N SER A 92 12.592 10.978 0.830 1.00 32.23 N ATOM 1552 CA SER A 92 12.206 12.234 1.476 1.00 1.23 C ATOM 1553 C SER A 92 11.091 12.959 0.719 1.00 25.24 C ATOM 1554 O SER A 92 10.639 14.013 1.157 1.00 53.35 O ATOM 1555 CB SER A 92 13.432 13.127 1.659 1.00 44.22 C ATOM 1556 OG SER A 92 13.899 12.939 2.978 1.00 45.11 O ATOM 0 H SER A 92 13.428 11.034 0.248 1.00 32.23 H new ATOM 0 HA SER A 92 11.800 11.993 2.458 1.00 1.23 H new ATOM 0 HB2 SER A 92 14.207 12.868 0.937 1.00 44.22 H new ATOM 0 HB3 SER A 92 13.174 14.172 1.489 1.00 44.22 H new ATOM 0 HG SER A 92 14.689 13.499 3.128 1.00 45.11 H new ATOM 1562 N THR A 93 10.640 12.420 -0.408 1.00 1.33 N ATOM 1563 CA THR A 93 9.595 13.034 -1.196 1.00 32.41 C ATOM 1564 C THR A 93 8.227 12.829 -0.510 1.00 45.02 C ATOM 1565 O THR A 93 7.962 11.728 -0.005 1.00 72.42 O ATOM 1566 CB THR A 93 9.679 12.396 -2.587 1.00 64.25 C ATOM 1567 OG1 THR A 93 11.011 12.507 -3.078 1.00 14.04 O ATOM 1568 CG2 THR A 93 8.782 13.086 -3.597 1.00 51.35 C ATOM 0 H THR A 93 10.993 11.545 -0.795 1.00 1.33 H new ATOM 0 HA THR A 93 9.715 14.114 -1.287 1.00 32.41 H new ATOM 0 HB THR A 93 9.363 11.359 -2.474 1.00 64.25 H new ATOM 0 HG1 THR A 93 11.499 11.678 -2.890 1.00 14.04 H new ATOM 0 HG21 THR A 93 8.879 12.595 -4.565 1.00 51.35 H new ATOM 0 HG22 THR A 93 7.746 13.028 -3.263 1.00 51.35 H new ATOM 0 HG23 THR A 93 9.075 14.132 -3.689 1.00 51.35 H new ATOM 1576 N PRO A 94 7.357 13.859 -0.466 1.00 41.12 N ATOM 1577 CA PRO A 94 6.040 13.742 0.139 1.00 53.45 C ATOM 1578 C PRO A 94 5.179 12.807 -0.708 1.00 54.42 C ATOM 1579 O PRO A 94 5.227 12.844 -1.943 1.00 73.42 O ATOM 1580 CB PRO A 94 5.467 15.154 0.200 1.00 13.30 C ATOM 1581 CG PRO A 94 6.184 15.893 -0.924 1.00 43.11 C ATOM 1582 CD PRO A 94 7.546 15.202 -1.003 1.00 33.52 C ATOM 0 HA PRO A 94 6.076 13.317 1.142 1.00 53.45 H new ATOM 0 HB2 PRO A 94 4.387 15.153 0.052 1.00 13.30 H new ATOM 0 HB3 PRO A 94 5.655 15.620 1.167 1.00 13.30 H new ATOM 0 HG2 PRO A 94 5.640 15.814 -1.865 1.00 43.11 H new ATOM 0 HG3 PRO A 94 6.286 16.955 -0.703 1.00 43.11 H new ATOM 0 HD2 PRO A 94 7.902 15.162 -2.032 1.00 33.52 H new ATOM 0 HD3 PRO A 94 8.293 15.749 -0.428 1.00 33.52 H new ATOM 1590 N ILE A 95 4.352 11.989 -0.054 1.00 43.11 N ATOM 1591 CA ILE A 95 3.498 11.051 -0.772 1.00 32.01 C ATOM 1592 C ILE A 95 2.520 11.768 -1.721 1.00 31.51 C ATOM 1593 O ILE A 95 1.989 11.129 -2.623 1.00 72.32 O ATOM 1594 CB ILE A 95 2.890 9.993 0.170 1.00 45.54 C ATOM 1595 CG1 ILE A 95 2.357 8.775 -0.628 1.00 45.55 C ATOM 1596 CG2 ILE A 95 1.810 10.585 1.084 1.00 25.32 C ATOM 1597 CD1 ILE A 95 2.667 7.440 0.052 1.00 51.23 C ATOM 0 H ILE A 95 4.258 11.959 0.961 1.00 43.11 H new ATOM 0 HA ILE A 95 4.116 10.462 -1.450 1.00 32.01 H new ATOM 0 HB ILE A 95 3.691 9.641 0.820 1.00 45.54 H new ATOM 0 HG12 ILE A 95 1.279 8.872 -0.753 1.00 45.55 H new ATOM 0 HG13 ILE A 95 2.796 8.780 -1.626 1.00 45.55 H new ATOM 0 HG21 ILE A 95 1.411 9.803 1.729 1.00 25.32 H new ATOM 0 HG22 ILE A 95 2.245 11.374 1.697 1.00 25.32 H new ATOM 0 HG23 ILE A 95 1.006 10.999 0.476 1.00 25.32 H new ATOM 0 HD11 ILE A 95 2.270 6.624 -0.551 1.00 51.23 H new ATOM 0 HD12 ILE A 95 3.746 7.325 0.153 1.00 51.23 H new ATOM 0 HD13 ILE A 95 2.206 7.419 1.039 1.00 51.23 H new ATOM 1609 N SER A 96 2.258 13.064 -1.509 1.00 71.24 N ATOM 1610 CA SER A 96 1.379 13.872 -2.340 1.00 53.05 C ATOM 1611 C SER A 96 1.901 13.852 -3.791 1.00 52.21 C ATOM 1612 O SER A 96 1.206 13.376 -4.712 1.00 5.41 O ATOM 1613 CB SER A 96 1.372 15.300 -1.752 1.00 12.20 C ATOM 1614 OG SER A 96 0.515 16.168 -2.469 1.00 45.42 O ATOM 0 H SER A 96 2.666 13.586 -0.733 1.00 71.24 H new ATOM 0 HA SER A 96 0.360 13.485 -2.352 1.00 53.05 H new ATOM 0 HB2 SER A 96 1.057 15.260 -0.709 1.00 12.20 H new ATOM 0 HB3 SER A 96 2.385 15.701 -1.764 1.00 12.20 H new ATOM 0 HG SER A 96 0.539 17.060 -2.063 1.00 45.42 H new ATOM 1620 N GLU A 97 3.138 14.325 -3.989 1.00 33.41 N ATOM 1621 CA GLU A 97 3.731 14.364 -5.312 1.00 45.34 C ATOM 1622 C GLU A 97 4.041 12.944 -5.772 1.00 13.41 C ATOM 1623 O GLU A 97 3.896 12.685 -6.962 1.00 33.14 O ATOM 1624 CB GLU A 97 4.916 15.340 -5.411 1.00 32.32 C ATOM 1625 CG GLU A 97 6.210 14.834 -4.776 1.00 71.22 C ATOM 1626 CD GLU A 97 7.318 15.888 -4.818 1.00 61.32 C ATOM 1627 OE1 GLU A 97 7.279 16.844 -4.010 1.00 1.02 O ATOM 1628 OE2 GLU A 97 8.279 15.723 -5.604 1.00 33.24 O ATOM 0 H GLU A 97 3.738 14.683 -3.246 1.00 33.41 H new ATOM 0 HA GLU A 97 3.007 14.779 -6.012 1.00 45.34 H new ATOM 0 HB2 GLU A 97 5.103 15.558 -6.462 1.00 32.32 H new ATOM 0 HB3 GLU A 97 4.636 16.280 -4.935 1.00 32.32 H new ATOM 0 HG2 GLU A 97 6.019 14.549 -3.741 1.00 71.22 H new ATOM 0 HG3 GLU A 97 6.543 13.937 -5.297 1.00 71.22 H new ATOM 1635 N VAL A 98 4.415 12.011 -4.877 1.00 10.43 N ATOM 1636 CA VAL A 98 4.683 10.631 -5.307 1.00 45.33 C ATOM 1637 C VAL A 98 3.404 10.069 -5.945 1.00 14.00 C ATOM 1638 O VAL A 98 3.476 9.420 -6.989 1.00 72.44 O ATOM 1639 CB VAL A 98 5.164 9.744 -4.137 1.00 41.24 C ATOM 1640 CG1 VAL A 98 5.352 8.274 -4.545 1.00 51.02 C ATOM 1641 CG2 VAL A 98 6.500 10.223 -3.553 1.00 5.34 C ATOM 0 H VAL A 98 4.535 12.182 -3.879 1.00 10.43 H new ATOM 0 HA VAL A 98 5.493 10.633 -6.037 1.00 45.33 H new ATOM 0 HB VAL A 98 4.373 9.825 -3.392 1.00 41.24 H new ATOM 0 HG11 VAL A 98 5.691 7.698 -3.684 1.00 51.02 H new ATOM 0 HG12 VAL A 98 4.404 7.871 -4.901 1.00 51.02 H new ATOM 0 HG13 VAL A 98 6.095 8.209 -5.340 1.00 51.02 H new ATOM 0 HG21 VAL A 98 6.795 9.567 -2.734 1.00 5.34 H new ATOM 0 HG22 VAL A 98 7.265 10.201 -4.329 1.00 5.34 H new ATOM 0 HG23 VAL A 98 6.390 11.241 -3.181 1.00 5.34 H new ATOM 1651 N TYR A 99 2.240 10.332 -5.341 1.00 33.22 N ATOM 1652 CA TYR A 99 0.959 9.871 -5.837 1.00 44.02 C ATOM 1653 C TYR A 99 0.730 10.414 -7.230 1.00 53.14 C ATOM 1654 O TYR A 99 0.620 9.627 -8.172 1.00 12.13 O ATOM 1655 CB TYR A 99 -0.187 10.308 -4.914 1.00 10.12 C ATOM 1656 CG TYR A 99 -1.592 9.996 -5.418 1.00 10.32 C ATOM 1657 CD1 TYR A 99 -2.173 8.742 -5.162 1.00 1.40 C ATOM 1658 CD2 TYR A 99 -2.327 10.955 -6.146 1.00 4.31 C ATOM 1659 CE1 TYR A 99 -3.454 8.433 -5.644 1.00 53.25 C ATOM 1660 CE2 TYR A 99 -3.607 10.653 -6.644 1.00 13.13 C ATOM 1661 CZ TYR A 99 -4.168 9.378 -6.416 1.00 61.54 C ATOM 1662 OH TYR A 99 -5.399 9.073 -6.906 1.00 12.13 O ATOM 0 H TYR A 99 2.171 10.879 -4.483 1.00 33.22 H new ATOM 0 HA TYR A 99 0.975 8.781 -5.863 1.00 44.02 H new ATOM 0 HB2 TYR A 99 -0.053 9.828 -3.945 1.00 10.12 H new ATOM 0 HB3 TYR A 99 -0.109 11.383 -4.751 1.00 10.12 H new ATOM 0 HD1 TYR A 99 -1.627 8.008 -4.588 1.00 1.40 H new ATOM 0 HD2 TYR A 99 -1.902 11.932 -6.323 1.00 4.31 H new ATOM 0 HE1 TYR A 99 -3.895 7.472 -5.425 1.00 53.25 H new ATOM 0 HE2 TYR A 99 -4.160 11.396 -7.200 1.00 13.13 H new ATOM 0 HH TYR A 99 -5.563 8.112 -6.803 1.00 12.13 H new ATOM 1672 N GLU A 100 0.674 11.743 -7.375 1.00 54.03 N ATOM 1673 CA GLU A 100 0.412 12.272 -8.715 1.00 5.21 C ATOM 1674 C GLU A 100 1.535 12.008 -9.731 1.00 71.45 C ATOM 1675 O GLU A 100 1.292 12.158 -10.929 1.00 72.21 O ATOM 1676 CB GLU A 100 -0.013 13.738 -8.658 1.00 1.43 C ATOM 1677 CG GLU A 100 0.989 14.620 -7.923 1.00 4.32 C ATOM 1678 CD GLU A 100 0.729 16.090 -8.212 1.00 64.43 C ATOM 1679 OE1 GLU A 100 1.038 16.547 -9.338 1.00 64.15 O ATOM 1680 OE2 GLU A 100 0.199 16.777 -7.306 1.00 41.01 O ATOM 0 H GLU A 100 0.798 12.432 -6.633 1.00 54.03 H new ATOM 0 HA GLU A 100 -0.431 11.702 -9.104 1.00 5.21 H new ATOM 0 HB2 GLU A 100 -0.142 14.113 -9.673 1.00 1.43 H new ATOM 0 HB3 GLU A 100 -0.983 13.811 -8.165 1.00 1.43 H new ATOM 0 HG2 GLU A 100 0.922 14.438 -6.850 1.00 4.32 H new ATOM 0 HG3 GLU A 100 2.002 14.359 -8.228 1.00 4.32 H new ATOM 1687 N SER A 101 2.730 11.594 -9.303 1.00 53.14 N ATOM 1688 CA SER A 101 3.834 11.307 -10.208 1.00 1.30 C ATOM 1689 C SER A 101 3.842 9.863 -10.693 1.00 64.32 C ATOM 1690 O SER A 101 4.305 9.630 -11.808 1.00 51.24 O ATOM 1691 CB SER A 101 5.179 11.558 -9.517 1.00 50.23 C ATOM 1692 OG SER A 101 5.327 12.922 -9.181 1.00 5.01 O ATOM 0 H SER A 101 2.955 11.450 -8.319 1.00 53.14 H new ATOM 0 HA SER A 101 3.693 11.971 -11.061 1.00 1.30 H new ATOM 0 HB2 SER A 101 5.249 10.948 -8.616 1.00 50.23 H new ATOM 0 HB3 SER A 101 5.993 11.251 -10.174 1.00 50.23 H new ATOM 0 HG SER A 101 5.025 13.067 -8.260 1.00 5.01 H new ATOM 1698 N GLU A 102 3.298 8.915 -9.927 1.00 70.55 N ATOM 1699 CA GLU A 102 3.319 7.501 -10.305 1.00 24.54 C ATOM 1700 C GLU A 102 1.925 6.882 -10.447 1.00 73.24 C ATOM 1701 O GLU A 102 1.813 5.688 -10.720 1.00 32.42 O ATOM 1702 CB GLU A 102 4.203 6.744 -9.291 1.00 41.15 C ATOM 1703 CG GLU A 102 5.598 7.369 -9.035 1.00 31.20 C ATOM 1704 CD GLU A 102 6.599 7.271 -10.191 1.00 12.43 C ATOM 1705 OE1 GLU A 102 6.218 7.053 -11.363 1.00 74.13 O ATOM 1706 OE2 GLU A 102 7.804 7.491 -9.916 1.00 21.33 O ATOM 0 H GLU A 102 2.836 9.103 -9.037 1.00 70.55 H new ATOM 0 HA GLU A 102 3.746 7.414 -11.304 1.00 24.54 H new ATOM 0 HB2 GLU A 102 3.670 6.684 -8.342 1.00 41.15 H new ATOM 0 HB3 GLU A 102 4.340 5.722 -9.645 1.00 41.15 H new ATOM 0 HG2 GLU A 102 5.463 8.421 -8.786 1.00 31.20 H new ATOM 0 HG3 GLU A 102 6.035 6.888 -8.160 1.00 31.20 H new ATOM 1713 N LYS A 103 0.863 7.677 -10.286 1.00 14.03 N ATOM 1714 CA LYS A 103 -0.545 7.270 -10.388 1.00 41.44 C ATOM 1715 C LYS A 103 -0.902 6.336 -11.541 1.00 32.21 C ATOM 1716 O LYS A 103 -0.559 6.584 -12.698 1.00 4.41 O ATOM 1717 CB LYS A 103 -1.447 8.515 -10.416 1.00 14.42 C ATOM 1718 CG LYS A 103 -1.064 9.574 -11.467 1.00 62.25 C ATOM 1719 CD LYS A 103 -2.128 9.736 -12.547 1.00 73.41 C ATOM 1720 CE LYS A 103 -3.407 10.341 -11.960 1.00 24.23 C ATOM 1721 NZ LYS A 103 -4.456 10.499 -12.983 1.00 52.11 N ATOM 0 H LYS A 103 0.964 8.669 -10.071 1.00 14.03 H new ATOM 0 HA LYS A 103 -0.720 6.669 -9.496 1.00 41.44 H new ATOM 0 HB2 LYS A 103 -2.473 8.197 -10.600 1.00 14.42 H new ATOM 0 HB3 LYS A 103 -1.429 8.980 -9.430 1.00 14.42 H new ATOM 0 HG2 LYS A 103 -0.905 10.532 -10.972 1.00 62.25 H new ATOM 0 HG3 LYS A 103 -0.119 9.295 -11.932 1.00 62.25 H new ATOM 0 HD2 LYS A 103 -1.750 10.376 -13.344 1.00 73.41 H new ATOM 0 HD3 LYS A 103 -2.350 8.767 -12.994 1.00 73.41 H new ATOM 0 HE2 LYS A 103 -3.776 9.703 -11.157 1.00 24.23 H new ATOM 0 HE3 LYS A 103 -3.181 11.311 -11.518 1.00 24.23 H new ATOM 0 HZ1 LYS A 103 -5.306 10.911 -12.548 1.00 52.11 H new ATOM 0 HZ2 LYS A 103 -4.113 11.128 -13.737 1.00 52.11 H new ATOM 0 HZ3 LYS A 103 -4.690 9.570 -13.387 1.00 52.11 H new ATOM 1735 N ASP A 104 -1.641 5.282 -11.193 1.00 62.31 N ATOM 1736 CA ASP A 104 -2.135 4.260 -12.103 1.00 65.11 C ATOM 1737 C ASP A 104 -3.453 4.721 -12.713 1.00 14.42 C ATOM 1738 O ASP A 104 -4.101 5.659 -12.228 1.00 24.53 O ATOM 1739 CB ASP A 104 -2.382 2.942 -11.337 1.00 64.33 C ATOM 1740 CG ASP A 104 -1.213 1.989 -11.513 1.00 43.31 C ATOM 1741 OD1 ASP A 104 -0.165 2.198 -10.867 1.00 30.53 O ATOM 1742 OD2 ASP A 104 -1.309 1.103 -12.388 1.00 52.24 O ATOM 0 H ASP A 104 -1.921 5.114 -10.227 1.00 62.31 H new ATOM 0 HA ASP A 104 -1.393 4.096 -12.884 1.00 65.11 H new ATOM 0 HB2 ASP A 104 -2.528 3.154 -10.278 1.00 64.33 H new ATOM 0 HB3 ASP A 104 -3.297 2.473 -11.698 1.00 64.33 H new ATOM 1747 N GLU A 105 -3.917 4.014 -13.738 1.00 54.32 N ATOM 1748 CA GLU A 105 -5.179 4.303 -14.415 1.00 14.33 C ATOM 1749 C GLU A 105 -6.382 4.112 -13.469 1.00 64.22 C ATOM 1750 O GLU A 105 -7.473 4.621 -13.734 1.00 72.54 O ATOM 1751 CB GLU A 105 -5.290 3.471 -15.695 1.00 24.54 C ATOM 1752 CG GLU A 105 -5.291 1.954 -15.458 1.00 25.33 C ATOM 1753 CD GLU A 105 -5.127 1.202 -16.777 1.00 13.35 C ATOM 1754 OE1 GLU A 105 -4.070 1.316 -17.437 1.00 70.52 O ATOM 1755 OE2 GLU A 105 -6.062 0.475 -17.184 1.00 34.34 O ATOM 0 H GLU A 105 -3.421 3.213 -14.128 1.00 54.32 H new ATOM 0 HA GLU A 105 -5.193 5.353 -14.707 1.00 14.33 H new ATOM 0 HB2 GLU A 105 -6.206 3.747 -16.217 1.00 24.54 H new ATOM 0 HB3 GLU A 105 -4.459 3.725 -16.354 1.00 24.54 H new ATOM 0 HG2 GLU A 105 -4.482 1.687 -14.778 1.00 25.33 H new ATOM 0 HG3 GLU A 105 -6.223 1.657 -14.977 1.00 25.33 H new ATOM 1762 N ASP A 106 -6.205 3.378 -12.366 1.00 2.42 N ATOM 1763 CA ASP A 106 -7.252 3.128 -11.372 1.00 23.24 C ATOM 1764 C ASP A 106 -7.350 4.287 -10.377 1.00 14.43 C ATOM 1765 O ASP A 106 -8.356 4.424 -9.683 1.00 70.43 O ATOM 1766 CB ASP A 106 -6.942 1.922 -10.461 1.00 42.10 C ATOM 1767 CG ASP A 106 -6.356 0.689 -11.115 1.00 10.42 C ATOM 1768 OD1 ASP A 106 -6.908 0.212 -12.125 1.00 24.25 O ATOM 1769 OD2 ASP A 106 -5.431 0.092 -10.527 1.00 54.24 O ATOM 0 H ASP A 106 -5.316 2.934 -12.136 1.00 2.42 H new ATOM 0 HA ASP A 106 -8.152 2.973 -11.966 1.00 23.24 H new ATOM 0 HB2 ASP A 106 -6.250 2.254 -9.686 1.00 42.10 H new ATOM 0 HB3 ASP A 106 -7.866 1.631 -9.961 1.00 42.10 H new ATOM 1774 N GLY A 107 -6.302 5.108 -10.267 1.00 3.01 N ATOM 1775 CA GLY A 107 -6.227 6.217 -9.322 1.00 24.33 C ATOM 1776 C GLY A 107 -5.601 5.744 -7.997 1.00 45.44 C ATOM 1777 O GLY A 107 -5.667 6.453 -6.992 1.00 65.35 O ATOM 0 H GLY A 107 -5.467 5.015 -10.846 1.00 3.01 H new ATOM 0 HA2 GLY A 107 -5.632 7.026 -9.746 1.00 24.33 H new ATOM 0 HA3 GLY A 107 -7.224 6.617 -9.139 1.00 24.33 H new ATOM 1781 N PHE A 108 -5.112 4.501 -7.944 1.00 41.12 N ATOM 1782 CA PHE A 108 -4.425 3.893 -6.810 1.00 32.51 C ATOM 1783 C PHE A 108 -2.925 4.144 -6.992 1.00 11.31 C ATOM 1784 O PHE A 108 -2.479 4.372 -8.120 1.00 4.12 O ATOM 1785 CB PHE A 108 -4.622 2.363 -6.832 1.00 73.42 C ATOM 1786 CG PHE A 108 -5.766 1.822 -6.006 1.00 24.44 C ATOM 1787 CD1 PHE A 108 -5.773 2.033 -4.616 1.00 62.10 C ATOM 1788 CD2 PHE A 108 -6.768 1.031 -6.597 1.00 73.13 C ATOM 1789 CE1 PHE A 108 -6.785 1.467 -3.828 1.00 31.51 C ATOM 1790 CE2 PHE A 108 -7.788 0.475 -5.806 1.00 30.11 C ATOM 1791 CZ PHE A 108 -7.797 0.692 -4.417 1.00 4.15 C ATOM 0 H PHE A 108 -5.191 3.862 -8.735 1.00 41.12 H new ATOM 0 HA PHE A 108 -4.813 4.312 -5.882 1.00 32.51 H new ATOM 0 HB2 PHE A 108 -4.770 2.052 -7.866 1.00 73.42 H new ATOM 0 HB3 PHE A 108 -3.700 1.895 -6.487 1.00 73.42 H new ATOM 0 HD1 PHE A 108 -5.000 2.630 -4.156 1.00 62.10 H new ATOM 0 HD2 PHE A 108 -6.753 0.850 -7.662 1.00 73.13 H new ATOM 0 HE1 PHE A 108 -6.786 1.628 -2.760 1.00 31.51 H new ATOM 0 HE2 PHE A 108 -8.565 -0.119 -6.265 1.00 30.11 H new ATOM 0 HZ PHE A 108 -8.578 0.265 -3.806 1.00 4.15 H new ATOM 1801 N LEU A 109 -2.137 4.056 -5.919 1.00 73.24 N ATOM 1802 CA LEU A 109 -0.679 4.202 -5.986 1.00 72.41 C ATOM 1803 C LEU A 109 -0.151 2.771 -5.821 1.00 22.12 C ATOM 1804 O LEU A 109 -0.516 2.123 -4.841 1.00 32.32 O ATOM 1805 CB LEU A 109 -0.204 5.185 -4.911 1.00 73.13 C ATOM 1806 CG LEU A 109 1.319 5.365 -4.752 1.00 51.24 C ATOM 1807 CD1 LEU A 109 2.075 5.733 -6.036 1.00 61.32 C ATOM 1808 CD2 LEU A 109 1.534 6.469 -3.703 1.00 22.32 C ATOM 0 H LEU A 109 -2.490 3.882 -4.978 1.00 73.24 H new ATOM 0 HA LEU A 109 -0.308 4.628 -6.918 1.00 72.41 H new ATOM 0 HB2 LEU A 109 -0.640 6.160 -5.127 1.00 73.13 H new ATOM 0 HB3 LEU A 109 -0.609 4.861 -3.952 1.00 73.13 H new ATOM 0 HG LEU A 109 1.727 4.399 -4.456 1.00 51.24 H new ATOM 0 HD11 LEU A 109 3.138 5.836 -5.816 1.00 61.32 H new ATOM 0 HD12 LEU A 109 1.933 4.949 -6.779 1.00 61.32 H new ATOM 0 HD13 LEU A 109 1.692 6.676 -6.426 1.00 61.32 H new ATOM 0 HD21 LEU A 109 2.602 6.630 -3.558 1.00 22.32 H new ATOM 0 HD22 LEU A 109 1.071 7.394 -4.048 1.00 22.32 H new ATOM 0 HD23 LEU A 109 1.081 6.167 -2.759 1.00 22.32 H new ATOM 1820 N TYR A 110 0.646 2.243 -6.750 1.00 62.43 N ATOM 1821 CA TYR A 110 1.182 0.880 -6.706 1.00 22.41 C ATOM 1822 C TYR A 110 2.643 0.867 -6.239 1.00 3.42 C ATOM 1823 O TYR A 110 3.512 1.449 -6.887 1.00 33.21 O ATOM 1824 CB TYR A 110 1.126 0.260 -8.120 1.00 4.34 C ATOM 1825 CG TYR A 110 -0.186 -0.317 -8.646 1.00 30.21 C ATOM 1826 CD1 TYR A 110 -1.423 0.332 -8.452 1.00 30.52 C ATOM 1827 CD2 TYR A 110 -0.140 -1.464 -9.468 1.00 25.23 C ATOM 1828 CE1 TYR A 110 -2.586 -0.156 -9.078 1.00 11.35 C ATOM 1829 CE2 TYR A 110 -1.286 -1.935 -10.126 1.00 25.14 C ATOM 1830 CZ TYR A 110 -2.517 -1.278 -9.934 1.00 62.14 C ATOM 1831 OH TYR A 110 -3.629 -1.770 -10.539 1.00 63.51 O ATOM 0 H TYR A 110 0.945 2.763 -7.575 1.00 62.43 H new ATOM 0 HA TYR A 110 0.577 0.308 -6.002 1.00 22.41 H new ATOM 0 HB2 TYR A 110 1.449 1.027 -8.824 1.00 4.34 H new ATOM 0 HB3 TYR A 110 1.868 -0.537 -8.155 1.00 4.34 H new ATOM 0 HD1 TYR A 110 -1.478 1.207 -7.821 1.00 30.52 H new ATOM 0 HD2 TYR A 110 0.796 -1.989 -9.593 1.00 25.23 H new ATOM 0 HE1 TYR A 110 -3.535 0.329 -8.903 1.00 11.35 H new ATOM 0 HE2 TYR A 110 -1.225 -2.796 -10.775 1.00 25.14 H new ATOM 0 HH TYR A 110 -4.241 -1.033 -10.748 1.00 63.51 H new ATOM 1841 N MET A 111 2.966 0.139 -5.167 1.00 62.10 N ATOM 1842 CA MET A 111 4.330 0.033 -4.645 1.00 74.12 C ATOM 1843 C MET A 111 4.643 -1.423 -4.325 1.00 10.13 C ATOM 1844 O MET A 111 3.762 -2.211 -3.956 1.00 44.13 O ATOM 1845 CB MET A 111 4.518 0.903 -3.403 1.00 51.22 C ATOM 1846 CG MET A 111 4.471 2.395 -3.715 1.00 41.31 C ATOM 1847 SD MET A 111 4.580 3.436 -2.241 1.00 12.02 S ATOM 1848 CE MET A 111 4.745 5.026 -3.088 1.00 74.41 C ATOM 0 H MET A 111 2.282 -0.398 -4.633 1.00 62.10 H new ATOM 0 HA MET A 111 5.020 0.393 -5.408 1.00 74.12 H new ATOM 0 HB2 MET A 111 3.742 0.664 -2.676 1.00 51.22 H new ATOM 0 HB3 MET A 111 5.474 0.663 -2.938 1.00 51.22 H new ATOM 0 HG2 MET A 111 5.290 2.644 -4.389 1.00 41.31 H new ATOM 0 HG3 MET A 111 3.544 2.620 -4.243 1.00 41.31 H new ATOM 0 HE1 MET A 111 4.527 5.834 -2.390 1.00 74.41 H new ATOM 0 HE2 MET A 111 5.763 5.135 -3.463 1.00 74.41 H new ATOM 0 HE3 MET A 111 4.044 5.068 -3.922 1.00 74.41 H new ATOM 1858 N VAL A 112 5.919 -1.778 -4.457 1.00 72.54 N ATOM 1859 CA VAL A 112 6.417 -3.120 -4.215 1.00 1.11 C ATOM 1860 C VAL A 112 7.669 -2.996 -3.347 1.00 53.34 C ATOM 1861 O VAL A 112 8.414 -2.031 -3.500 1.00 72.20 O ATOM 1862 CB VAL A 112 6.703 -3.849 -5.552 1.00 54.42 C ATOM 1863 CG1 VAL A 112 6.708 -5.368 -5.366 1.00 44.23 C ATOM 1864 CG2 VAL A 112 5.702 -3.528 -6.679 1.00 11.43 C ATOM 0 H VAL A 112 6.647 -1.123 -4.742 1.00 72.54 H new ATOM 0 HA VAL A 112 5.673 -3.723 -3.695 1.00 1.11 H new ATOM 0 HB VAL A 112 7.684 -3.479 -5.851 1.00 54.42 H new ATOM 0 HG11 VAL A 112 6.911 -5.851 -6.322 1.00 44.23 H new ATOM 0 HG12 VAL A 112 7.480 -5.644 -4.648 1.00 44.23 H new ATOM 0 HG13 VAL A 112 5.736 -5.692 -4.995 1.00 44.23 H new ATOM 0 HG21 VAL A 112 5.977 -4.080 -7.578 1.00 11.43 H new ATOM 0 HG22 VAL A 112 4.698 -3.818 -6.368 1.00 11.43 H new ATOM 0 HG23 VAL A 112 5.722 -2.459 -6.890 1.00 11.43 H new ATOM 1874 N TYR A 113 7.936 -3.945 -2.452 1.00 54.13 N ATOM 1875 CA TYR A 113 9.116 -3.873 -1.591 1.00 65.52 C ATOM 1876 C TYR A 113 9.914 -5.170 -1.612 1.00 10.05 C ATOM 1877 O TYR A 113 9.338 -6.249 -1.799 1.00 63.13 O ATOM 1878 CB TYR A 113 8.685 -3.518 -0.162 1.00 70.33 C ATOM 1879 CG TYR A 113 7.933 -4.622 0.562 1.00 44.53 C ATOM 1880 CD1 TYR A 113 6.536 -4.701 0.437 1.00 71.43 C ATOM 1881 CD2 TYR A 113 8.629 -5.601 1.303 1.00 14.22 C ATOM 1882 CE1 TYR A 113 5.830 -5.735 1.069 1.00 12.42 C ATOM 1883 CE2 TYR A 113 7.924 -6.626 1.963 1.00 41.31 C ATOM 1884 CZ TYR A 113 6.515 -6.677 1.863 1.00 24.43 C ATOM 1885 OH TYR A 113 5.801 -7.626 2.522 1.00 61.04 O ATOM 0 H TYR A 113 7.354 -4.770 -2.304 1.00 54.13 H new ATOM 0 HA TYR A 113 9.773 -3.093 -1.974 1.00 65.52 H new ATOM 0 HB2 TYR A 113 9.571 -3.259 0.417 1.00 70.33 H new ATOM 0 HB3 TYR A 113 8.055 -2.629 -0.196 1.00 70.33 H new ATOM 0 HD1 TYR A 113 6.005 -3.964 -0.147 1.00 71.43 H new ATOM 0 HD2 TYR A 113 9.707 -5.564 1.364 1.00 14.22 H new ATOM 0 HE1 TYR A 113 4.760 -5.810 0.947 1.00 12.42 H new ATOM 0 HE2 TYR A 113 8.456 -7.367 2.541 1.00 41.31 H new ATOM 0 HH TYR A 113 6.342 -7.995 3.251 1.00 61.04 H new ATOM 1895 N ALA A 114 11.230 -5.044 -1.408 1.00 33.43 N ATOM 1896 CA ALA A 114 12.165 -6.160 -1.358 1.00 4.25 C ATOM 1897 C ALA A 114 13.491 -5.733 -0.721 1.00 34.15 C ATOM 1898 O ALA A 114 13.747 -4.548 -0.505 1.00 12.15 O ATOM 1899 CB ALA A 114 12.479 -6.673 -2.765 1.00 72.40 C ATOM 0 H ALA A 114 11.680 -4.139 -1.270 1.00 33.43 H new ATOM 0 HA ALA A 114 11.692 -6.942 -0.765 1.00 4.25 H new ATOM 0 HB1 ALA A 114 13.179 -7.506 -2.701 1.00 72.40 H new ATOM 0 HB2 ALA A 114 11.559 -7.008 -3.244 1.00 72.40 H new ATOM 0 HB3 ALA A 114 12.923 -5.871 -3.354 1.00 72.40 H new ATOM 1905 N SER A 115 14.366 -6.699 -0.473 1.00 50.41 N ATOM 1906 CA SER A 115 15.683 -6.525 0.087 1.00 32.53 C ATOM 1907 C SER A 115 16.626 -6.530 -1.117 1.00 44.41 C ATOM 1908 O SER A 115 17.324 -7.523 -1.349 1.00 54.10 O ATOM 1909 CB SER A 115 15.940 -7.679 1.073 1.00 13.22 C ATOM 1910 OG SER A 115 17.252 -7.596 1.589 1.00 41.30 O ATOM 0 H SER A 115 14.155 -7.677 -0.672 1.00 50.41 H new ATOM 0 HA SER A 115 15.820 -5.603 0.652 1.00 32.53 H new ATOM 0 HB2 SER A 115 15.217 -7.638 1.888 1.00 13.22 H new ATOM 0 HB3 SER A 115 15.799 -8.635 0.570 1.00 13.22 H new ATOM 0 HG SER A 115 17.272 -6.954 2.329 1.00 41.30 H new ATOM 1916 N GLN A 116 16.678 -5.405 -1.837 1.00 71.43 N ATOM 1917 CA GLN A 116 17.484 -5.126 -3.024 1.00 70.24 C ATOM 1918 C GLN A 116 17.055 -3.732 -3.492 1.00 51.32 C ATOM 1919 O GLN A 116 15.856 -3.471 -3.567 1.00 65.31 O ATOM 1920 CB GLN A 116 17.250 -6.220 -4.081 1.00 61.10 C ATOM 1921 CG GLN A 116 17.978 -6.021 -5.410 1.00 62.54 C ATOM 1922 CD GLN A 116 18.076 -7.306 -6.247 1.00 14.45 C ATOM 1923 OE1 GLN A 116 18.821 -7.346 -7.218 1.00 62.12 O ATOM 1924 NE2 GLN A 116 17.378 -8.388 -5.918 1.00 33.53 N ATOM 0 H GLN A 116 16.108 -4.599 -1.580 1.00 71.43 H new ATOM 0 HA GLN A 116 18.556 -5.135 -2.828 1.00 70.24 H new ATOM 0 HB2 GLN A 116 17.555 -7.178 -3.660 1.00 61.10 H new ATOM 0 HB3 GLN A 116 16.180 -6.285 -4.280 1.00 61.10 H new ATOM 0 HG2 GLN A 116 17.460 -5.257 -5.989 1.00 62.54 H new ATOM 0 HG3 GLN A 116 18.982 -5.646 -5.214 1.00 62.54 H new ATOM 0 HE21 GLN A 116 16.754 -8.367 -5.111 1.00 33.53 H new ATOM 0 HE22 GLN A 116 17.466 -9.240 -6.472 1.00 33.53 H new ATOM 1933 N GLU A 117 18.012 -2.847 -3.785 1.00 64.20 N ATOM 1934 CA GLU A 117 17.761 -1.469 -4.222 1.00 3.24 C ATOM 1935 C GLU A 117 16.979 -1.398 -5.536 1.00 12.05 C ATOM 1936 O GLU A 117 16.132 -0.519 -5.709 1.00 42.12 O ATOM 1937 CB GLU A 117 19.115 -0.747 -4.305 1.00 11.41 C ATOM 1938 CG GLU A 117 19.050 0.671 -4.879 1.00 11.32 C ATOM 1939 CD GLU A 117 20.413 1.359 -4.799 1.00 50.33 C ATOM 1940 OE1 GLU A 117 21.265 1.115 -5.690 1.00 71.23 O ATOM 1941 OE2 GLU A 117 20.645 2.141 -3.844 1.00 31.35 O ATOM 0 H GLU A 117 19.005 -3.073 -3.724 1.00 64.20 H new ATOM 0 HA GLU A 117 17.121 -0.969 -3.495 1.00 3.24 H new ATOM 0 HB2 GLU A 117 19.548 -0.700 -3.306 1.00 11.41 H new ATOM 0 HB3 GLU A 117 19.792 -1.342 -4.918 1.00 11.41 H new ATOM 0 HG2 GLU A 117 18.719 0.632 -5.917 1.00 11.32 H new ATOM 0 HG3 GLU A 117 18.311 1.255 -4.331 1.00 11.32 H new ATOM 1948 N THR A 118 17.345 -2.227 -6.508 1.00 71.31 N ATOM 1949 CA THR A 118 16.683 -2.300 -7.796 1.00 12.23 C ATOM 1950 C THR A 118 16.785 -3.764 -8.234 1.00 2.33 C ATOM 1951 O THR A 118 17.900 -4.271 -8.409 1.00 13.32 O ATOM 1952 CB THR A 118 17.277 -1.210 -8.702 1.00 13.21 C ATOM 1953 OG1 THR A 118 16.523 -1.028 -9.874 1.00 45.42 O ATOM 1954 CG2 THR A 118 18.743 -1.395 -9.081 1.00 72.21 C ATOM 0 H THR A 118 18.125 -2.877 -6.416 1.00 71.31 H new ATOM 0 HA THR A 118 15.618 -2.070 -7.811 1.00 12.23 H new ATOM 0 HB THR A 118 17.229 -0.319 -8.076 1.00 13.21 H new ATOM 0 HG1 THR A 118 16.933 -0.326 -10.421 1.00 45.42 H new ATOM 0 HG21 THR A 118 19.060 -0.571 -9.721 1.00 72.21 H new ATOM 0 HG22 THR A 118 19.353 -1.409 -8.178 1.00 72.21 H new ATOM 0 HG23 THR A 118 18.865 -2.337 -9.615 1.00 72.21 H new ATOM 1962 N PHE A 119 15.659 -4.468 -8.290 1.00 1.04 N ATOM 1963 CA PHE A 119 15.596 -5.871 -8.683 1.00 5.35 C ATOM 1964 C PHE A 119 15.186 -5.985 -10.136 1.00 10.21 C ATOM 1965 O PHE A 119 14.513 -5.073 -10.664 1.00 5.15 O ATOM 1966 CB PHE A 119 14.664 -6.646 -7.742 1.00 52.01 C ATOM 1967 CG PHE A 119 13.345 -5.984 -7.379 1.00 53.42 C ATOM 1968 CD1 PHE A 119 12.344 -5.770 -8.344 1.00 5.01 C ATOM 1969 CD2 PHE A 119 13.107 -5.601 -6.049 1.00 34.32 C ATOM 1970 CE1 PHE A 119 11.106 -5.214 -7.978 1.00 21.42 C ATOM 1971 CE2 PHE A 119 11.863 -5.062 -5.679 1.00 1.12 C ATOM 1972 CZ PHE A 119 10.858 -4.872 -6.638 1.00 42.34 C ATOM 0 H PHE A 119 14.748 -4.072 -8.059 1.00 1.04 H new ATOM 0 HA PHE A 119 16.584 -6.323 -8.592 1.00 5.35 H new ATOM 0 HB2 PHE A 119 14.444 -7.610 -8.201 1.00 52.01 H new ATOM 0 HB3 PHE A 119 15.207 -6.849 -6.819 1.00 52.01 H new ATOM 0 HD1 PHE A 119 12.528 -6.035 -9.375 1.00 5.01 H new ATOM 0 HD2 PHE A 119 13.883 -5.721 -5.308 1.00 34.32 H new ATOM 0 HE1 PHE A 119 10.345 -5.050 -8.727 1.00 21.42 H new ATOM 0 HE2 PHE A 119 11.680 -4.792 -4.649 1.00 1.12 H new ATOM 0 HZ PHE A 119 9.900 -4.466 -6.349 1.00 42.34 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -15.392 -11.550 -1.764 1.00 34.31 N ATOM 1984 CA ASN B 169 -16.559 -12.019 -2.535 1.00 31.41 C ATOM 1985 C ASN B 169 -17.377 -13.084 -1.797 1.00 62.11 C ATOM 1986 O ASN B 169 -18.268 -13.673 -2.417 1.00 11.44 O ATOM 1987 CB ASN B 169 -16.159 -12.601 -3.902 1.00 21.23 C ATOM 1988 CG ASN B 169 -15.125 -11.770 -4.626 1.00 1.22 C ATOM 1989 OD1 ASN B 169 -14.004 -12.229 -4.834 1.00 33.35 O ATOM 1990 ND2 ASN B 169 -15.454 -10.539 -4.967 1.00 10.12 N ATOM 0 HA ASN B 169 -17.170 -11.127 -2.672 1.00 31.41 H new ATOM 0 HB2 ASN B 169 -15.770 -13.609 -3.760 1.00 21.23 H new ATOM 0 HB3 ASN B 169 -17.048 -12.687 -4.527 1.00 21.23 H new ATOM 0 HD21 ASN B 169 -14.768 -9.934 -5.419 1.00 10.12 H new ATOM 0 HD22 ASN B 169 -16.394 -10.192 -4.779 1.00 10.12 H new HETATM 1997 N SEP B 170 -17.081 -13.419 -0.535 1.00 62.14 N HETATM 1998 CA SEP B 170 -17.829 -14.442 0.183 1.00 73.12 C HETATM 1999 CB SEP B 170 -16.890 -15.177 1.144 1.00 43.40 C HETATM 2000 OG SEP B 170 -15.782 -15.726 0.437 1.00 13.31 O HETATM 2001 C SEP B 170 -19.044 -13.833 0.888 1.00 40.32 C HETATM 2002 O SEP B 170 -20.170 -14.283 0.669 1.00 74.43 O HETATM 2003 P SEP B 170 -15.055 -17.049 0.977 1.00 33.45 P HETATM 2004 O1P SEP B 170 -14.837 -16.768 2.408 1.00 15.15 O HETATM 2005 O2P SEP B 170 -16.033 -18.117 0.697 1.00 3.45 O HETATM 2006 O3P SEP B 170 -13.827 -17.111 0.159 1.00 12.14 O HETATM 0 HB3 SEP B 170 -16.535 -14.489 1.911 1.00 43.40 H new HETATM 0 HB2 SEP B 170 -17.433 -15.972 1.655 1.00 43.40 H new HETATM 0 HA SEP B 170 -18.223 -15.175 -0.521 1.00 73.12 H new HETATM 0 H SEP B 170 -16.086 -13.292 -0.352 1.00 62.14 H new HETATM 2011 N SEP B 171 -18.826 -12.752 1.638 1.00 31.41 N HETATM 2012 CA SEP B 171 -19.832 -12.019 2.398 1.00 32.33 C HETATM 2013 CB SEP B 171 -19.276 -11.798 3.803 1.00 11.23 C HETATM 2014 OG SEP B 171 -19.001 -13.021 4.453 1.00 35.01 O HETATM 2015 C SEP B 171 -20.161 -10.677 1.734 1.00 75.41 C HETATM 2016 O SEP B 171 -19.717 -10.404 0.616 1.00 62.22 O HETATM 2017 P SEP B 171 -18.282 -13.025 5.876 1.00 22.21 P HETATM 2018 O1P SEP B 171 -16.885 -13.348 5.548 1.00 20.22 O HETATM 2019 O2P SEP B 171 -18.510 -11.673 6.421 1.00 55.41 O HETATM 2020 O3P SEP B 171 -19.002 -14.094 6.591 1.00 75.02 O HETATM 0 HB3 SEP B 171 -18.364 -11.204 3.744 1.00 11.23 H new HETATM 0 HB2 SEP B 171 -19.992 -11.225 4.392 1.00 11.23 H new HETATM 0 HA SEP B 171 -20.759 -12.591 2.436 1.00 32.33 H new ATOM 2025 N GLY B 172 -20.906 -9.817 2.433 1.00 42.12 N ATOM 2026 CA GLY B 172 -21.300 -8.505 1.955 1.00 22.21 C ATOM 2027 C GLY B 172 -21.378 -7.512 3.104 1.00 25.03 C ATOM 2028 O GLY B 172 -22.445 -7.345 3.696 1.00 4.23 O ATOM 0 H GLY B 172 -21.256 -10.026 3.368 1.00 42.12 H new ATOM 0 HA2 GLY B 172 -20.584 -8.153 1.213 1.00 22.21 H new ATOM 0 HA3 GLY B 172 -22.268 -8.570 1.458 1.00 22.21 H new HETATM 2032 N SEP B 173 -20.244 -6.923 3.482 1.00 25.42 N HETATM 2033 CA SEP B 173 -20.144 -5.933 4.545 1.00 71.31 C HETATM 2034 CB SEP B 173 -20.184 -6.623 5.919 1.00 25.05 C HETATM 2035 OG SEP B 173 -20.036 -5.720 7.005 1.00 23.31 O HETATM 2036 C SEP B 173 -18.843 -5.150 4.379 1.00 43.52 C HETATM 2037 O SEP B 173 -17.958 -5.563 3.618 1.00 2.15 O HETATM 2038 P SEP B 173 -21.217 -4.782 7.530 1.00 21.12 P HETATM 2039 O1P SEP B 173 -21.437 -3.819 6.428 1.00 21.24 O HETATM 2040 O2P SEP B 173 -22.334 -5.712 7.776 1.00 65.03 O HETATM 2041 O3P SEP B 173 -20.650 -4.169 8.748 1.00 1.15 O HETATM 0 HB3 SEP B 173 -21.130 -7.154 6.024 1.00 25.05 H new HETATM 0 HB2 SEP B 173 -19.392 -7.370 5.966 1.00 25.05 H new HETATM 0 HA SEP B 173 -20.988 -5.246 4.484 1.00 71.31 H new HETATM 2046 N SEP B 174 -18.807 -3.930 4.917 1.00 24.43 N HETATM 2047 CA SEP B 174 -17.635 -3.069 4.882 1.00 14.21 C HETATM 2048 CB SEP B 174 -17.981 -1.616 5.215 1.00 52.21 C HETATM 2049 OG SEP B 174 -18.409 -0.883 4.071 1.00 4.33 O HETATM 2050 C SEP B 174 -16.698 -3.667 5.918 1.00 52.54 C HETATM 2051 O SEP B 174 -17.015 -3.671 7.106 1.00 2.34 O HETATM 2052 P SEP B 174 -19.842 -1.083 3.389 1.00 31.34 P HETATM 2053 O1P SEP B 174 -19.662 -2.304 2.567 1.00 70.02 O HETATM 2054 O2P SEP B 174 -20.763 -1.188 4.535 1.00 21.42 O HETATM 2055 O3P SEP B 174 -19.963 0.155 2.595 1.00 24.15 O HETATM 0 HB3 SEP B 174 -18.767 -1.597 5.970 1.00 52.21 H new HETATM 0 HB2 SEP B 174 -17.109 -1.128 5.650 1.00 52.21 H new HETATM 0 HA SEP B 174 -17.188 -3.030 3.888 1.00 14.21 H new HETATM 0 H SEP B 174 -19.721 -3.538 5.145 1.00 24.43 H new ATOM 2060 N GLU B 175 -15.658 -4.343 5.453 1.00 61.43 N ATOM 2061 CA GLU B 175 -14.684 -4.995 6.301 1.00 12.14 C ATOM 2062 C GLU B 175 -13.307 -4.385 6.106 1.00 41.44 C ATOM 2063 O GLU B 175 -13.127 -3.495 5.273 1.00 2.32 O ATOM 2064 CB GLU B 175 -14.742 -6.517 6.079 1.00 53.14 C ATOM 2065 CG GLU B 175 -15.640 -7.180 7.128 1.00 4.43 C ATOM 2066 CD GLU B 175 -15.070 -7.110 8.549 1.00 25.31 C ATOM 2067 OE1 GLU B 175 -14.012 -6.473 8.779 1.00 10.15 O ATOM 2068 OE2 GLU B 175 -15.665 -7.765 9.436 1.00 62.44 O ATOM 0 H GLU B 175 -15.468 -4.453 4.457 1.00 61.43 H new ATOM 0 HA GLU B 175 -14.923 -4.828 7.351 1.00 12.14 H new ATOM 0 HB2 GLU B 175 -15.122 -6.730 5.080 1.00 53.14 H new ATOM 0 HB3 GLU B 175 -13.738 -6.937 6.134 1.00 53.14 H new ATOM 0 HG2 GLU B 175 -16.619 -6.700 7.113 1.00 4.43 H new ATOM 0 HG3 GLU B 175 -15.793 -8.225 6.857 1.00 4.43 H new ATOM 2075 N ASP B 176 -12.361 -4.841 6.924 1.00 12.53 N ATOM 2076 CA ASP B 176 -10.966 -4.428 6.992 1.00 51.42 C ATOM 2077 C ASP B 176 -10.235 -4.494 5.636 1.00 43.14 C ATOM 2078 O ASP B 176 -9.458 -5.406 5.346 1.00 65.30 O ATOM 2079 CB ASP B 176 -10.266 -5.129 8.174 1.00 42.53 C ATOM 2080 CG ASP B 176 -9.647 -6.496 7.881 1.00 74.02 C ATOM 2081 OD1 ASP B 176 -10.383 -7.480 7.642 1.00 42.40 O ATOM 2082 OD2 ASP B 176 -8.405 -6.597 7.988 1.00 25.44 O ATOM 0 H ASP B 176 -12.570 -5.567 7.610 1.00 12.53 H new ATOM 0 HA ASP B 176 -10.925 -3.361 7.210 1.00 51.42 H new ATOM 0 HB2 ASP B 176 -9.481 -4.471 8.546 1.00 42.53 H new ATOM 0 HB3 ASP B 176 -10.991 -5.247 8.979 1.00 42.53 H new HETATM 2087 N SEP B 177 -10.344 -3.420 4.854 1.00 2.32 N HETATM 2088 CA SEP B 177 -9.757 -3.295 3.530 1.00 51.53 C HETATM 2089 CB SEP B 177 -10.830 -2.777 2.556 1.00 42.43 C HETATM 2090 OG SEP B 177 -11.799 -3.770 2.234 1.00 43.11 O HETATM 2091 C SEP B 177 -8.530 -2.379 3.529 1.00 73.30 C HETATM 2092 O SEP B 177 -7.499 -2.813 3.003 1.00 12.41 O HETATM 2093 P SEP B 177 -11.690 -4.668 0.909 1.00 62.22 P HETATM 2094 O1P SEP B 177 -11.589 -3.687 -0.185 1.00 61.34 O HETATM 2095 O2P SEP B 177 -10.439 -5.438 1.066 1.00 22.23 O HETATM 2096 O3P SEP B 177 -12.911 -5.497 0.911 1.00 23.32 O HETATM 0 HB3 SEP B 177 -11.331 -1.915 2.997 1.00 42.43 H new HETATM 0 HB2 SEP B 177 -10.349 -2.433 1.640 1.00 42.43 H new HETATM 0 HA SEP B 177 -9.410 -4.277 3.209 1.00 51.53 H new ATOM 2101 N PHE B 178 -8.555 -1.202 4.170 1.00 22.13 N ATOM 2102 CA PHE B 178 -7.415 -0.280 4.193 1.00 31.45 C ATOM 2103 C PHE B 178 -6.931 -0.015 5.610 1.00 53.14 C ATOM 2104 O PHE B 178 -7.735 0.004 6.535 1.00 71.04 O ATOM 2105 CB PHE B 178 -7.785 1.085 3.595 1.00 32.41 C ATOM 2106 CG PHE B 178 -8.151 1.119 2.129 1.00 24.24 C ATOM 2107 CD1 PHE B 178 -9.357 0.553 1.675 1.00 23.21 C ATOM 2108 CD2 PHE B 178 -7.305 1.783 1.223 1.00 74.11 C ATOM 2109 CE1 PHE B 178 -9.686 0.593 0.311 1.00 41.31 C ATOM 2110 CE2 PHE B 178 -7.650 1.851 -0.133 1.00 53.53 C ATOM 2111 CZ PHE B 178 -8.833 1.243 -0.596 1.00 24.35 C ATOM 0 H PHE B 178 -9.367 -0.864 4.687 1.00 22.13 H new ATOM 0 HA PHE B 178 -6.635 -0.764 3.606 1.00 31.45 H new ATOM 0 HB2 PHE B 178 -8.625 1.486 4.162 1.00 32.41 H new ATOM 0 HB3 PHE B 178 -6.944 1.761 3.749 1.00 32.41 H new ATOM 0 HD1 PHE B 178 -10.031 0.087 2.378 1.00 23.21 H new ATOM 0 HD2 PHE B 178 -6.391 2.240 1.572 1.00 74.11 H new ATOM 0 HE1 PHE B 178 -10.594 0.125 -0.040 1.00 41.31 H new ATOM 0 HE2 PHE B 178 -7.006 2.372 -0.826 1.00 53.53 H new ATOM 0 HZ PHE B 178 -9.084 1.276 -1.646 1.00 24.35 H new ATOM 2121 N VAL B 179 -5.637 0.266 5.783 1.00 70.32 N ATOM 2122 CA VAL B 179 -5.070 0.564 7.096 1.00 25.13 C ATOM 2123 C VAL B 179 -4.477 1.967 7.108 1.00 63.31 C ATOM 2124 O VAL B 179 -3.668 2.326 6.248 1.00 21.41 O ATOM 2125 CB VAL B 179 -4.099 -0.535 7.548 1.00 52.54 C ATOM 2126 CG1 VAL B 179 -2.930 -0.805 6.598 1.00 11.11 C ATOM 2127 CG2 VAL B 179 -3.558 -0.253 8.948 1.00 14.32 C ATOM 0 H VAL B 179 -4.959 0.293 5.021 1.00 70.32 H new ATOM 0 HA VAL B 179 -5.864 0.563 7.843 1.00 25.13 H new ATOM 0 HB VAL B 179 -4.706 -1.441 7.546 1.00 52.54 H new ATOM 0 HG11 VAL B 179 -2.304 -1.597 7.008 1.00 11.11 H new ATOM 0 HG12 VAL B 179 -3.315 -1.113 5.626 1.00 11.11 H new ATOM 0 HG13 VAL B 179 -2.338 0.103 6.483 1.00 11.11 H new ATOM 0 HG21 VAL B 179 -2.873 -1.049 9.241 1.00 14.32 H new ATOM 0 HG22 VAL B 179 -3.029 0.700 8.948 1.00 14.32 H new ATOM 0 HG23 VAL B 179 -4.386 -0.208 9.656 1.00 14.32 H new ATOM 2137 N GLU B 180 -4.880 2.784 8.080 1.00 70.23 N ATOM 2138 CA GLU B 180 -4.370 4.138 8.187 1.00 45.44 C ATOM 2139 C GLU B 180 -2.993 4.157 8.832 1.00 74.03 C ATOM 2140 O GLU B 180 -2.656 3.320 9.682 1.00 51.41 O ATOM 2141 CB GLU B 180 -5.246 5.040 9.065 1.00 54.13 C ATOM 2142 CG GLU B 180 -6.765 4.889 8.993 1.00 54.43 C ATOM 2143 CD GLU B 180 -7.370 5.747 10.106 1.00 11.55 C ATOM 2144 OE1 GLU B 180 -7.357 5.297 11.278 1.00 65.43 O ATOM 2145 OE2 GLU B 180 -7.692 6.927 9.840 1.00 61.35 O ATOM 0 H GLU B 180 -5.556 2.527 8.799 1.00 70.23 H new ATOM 0 HA GLU B 180 -4.351 4.507 7.162 1.00 45.44 H new ATOM 0 HB2 GLU B 180 -4.948 4.882 10.101 1.00 54.13 H new ATOM 0 HB3 GLU B 180 -5.005 6.074 8.819 1.00 54.13 H new ATOM 0 HG2 GLU B 180 -7.136 5.209 8.019 1.00 54.43 H new ATOM 0 HG3 GLU B 180 -7.052 3.845 9.116 1.00 54.43 H new ATOM 2152 N ILE B 181 -2.244 5.201 8.499 1.00 5.45 N ATOM 2153 CA ILE B 181 -0.921 5.423 9.057 1.00 42.33 C ATOM 2154 C ILE B 181 -1.098 5.996 10.470 1.00 64.34 C ATOM 2155 O ILE B 181 -2.032 6.749 10.742 1.00 54.54 O ATOM 2156 CB ILE B 181 -0.164 6.367 8.105 1.00 70.33 C ATOM 2157 CG1 ILE B 181 0.195 5.617 6.809 1.00 51.23 C ATOM 2158 CG2 ILE B 181 1.067 7.061 8.703 1.00 73.14 C ATOM 2159 CD1 ILE B 181 1.141 4.430 6.948 1.00 54.52 C ATOM 0 H ILE B 181 -2.539 5.916 7.834 1.00 5.45 H new ATOM 0 HA ILE B 181 -0.335 4.508 9.147 1.00 42.33 H new ATOM 0 HB ILE B 181 -0.851 7.186 7.895 1.00 70.33 H new ATOM 0 HG12 ILE B 181 -0.730 5.264 6.352 1.00 51.23 H new ATOM 0 HG13 ILE B 181 0.642 6.329 6.115 1.00 51.23 H new ATOM 0 HG21 ILE B 181 1.525 7.702 7.950 1.00 73.14 H new ATOM 0 HG22 ILE B 181 0.764 7.665 9.558 1.00 73.14 H new ATOM 0 HG23 ILE B 181 1.787 6.309 9.027 1.00 73.14 H new ATOM 0 HD11 ILE B 181 1.316 3.987 5.967 1.00 54.52 H new ATOM 0 HD12 ILE B 181 2.089 4.767 7.368 1.00 54.52 H new ATOM 0 HD13 ILE B 181 0.696 3.685 7.608 1.00 54.52 H new ATOM 2171 N ARG B 182 -0.213 5.581 11.381 1.00 51.32 N ATOM 2172 CA ARG B 182 -0.189 6.005 12.778 1.00 1.44 C ATOM 2173 C ARG B 182 0.460 7.374 12.827 1.00 34.43 C ATOM 2174 O ARG B 182 1.661 7.482 12.571 1.00 10.24 O ATOM 2175 CB ARG B 182 0.609 5.003 13.615 1.00 10.14 C ATOM 2176 CG ARG B 182 -0.227 3.757 13.933 1.00 21.13 C ATOM 2177 CD ARG B 182 0.645 2.526 14.228 1.00 10.23 C ATOM 2178 NE ARG B 182 -0.157 1.397 14.731 1.00 34.42 N ATOM 2179 CZ ARG B 182 -1.134 0.738 14.091 1.00 45.11 C ATOM 2180 NH1 ARG B 182 -1.369 0.956 12.801 1.00 61.30 N ATOM 2181 NH2 ARG B 182 -1.896 -0.125 14.744 1.00 43.41 N ATOM 0 H ARG B 182 0.530 4.919 11.156 1.00 51.32 H new ATOM 0 HA ARG B 182 -1.199 6.051 13.186 1.00 1.44 H new ATOM 0 HB2 ARG B 182 1.511 4.712 13.076 1.00 10.14 H new ATOM 0 HB3 ARG B 182 0.931 5.475 14.543 1.00 10.14 H new ATOM 0 HG2 ARG B 182 -0.866 3.961 14.792 1.00 21.13 H new ATOM 0 HG3 ARG B 182 -0.885 3.540 13.092 1.00 21.13 H new ATOM 0 HD2 ARG B 182 1.168 2.225 13.320 1.00 10.23 H new ATOM 0 HD3 ARG B 182 1.406 2.787 14.963 1.00 10.23 H new ATOM 0 HE ARG B 182 0.056 1.079 15.677 1.00 34.42 H new ATOM 0 HH11 ARG B 182 -0.803 1.631 12.286 1.00 61.30 H new ATOM 0 HH12 ARG B 182 -2.115 0.448 12.326 1.00 61.30 H new ATOM 0 HH21 ARG B 182 -1.741 -0.291 15.738 1.00 43.41 H new ATOM 0 HH22 ARG B 182 -2.638 -0.624 14.253 1.00 43.41 H new ATOM 2195 N MET B 183 -0.326 8.398 13.104 1.00 24.13 N ATOM 2196 CA MET B 183 0.128 9.781 13.178 1.00 64.22 C ATOM 2197 C MET B 183 -0.797 10.626 14.050 1.00 14.44 C ATOM 2198 O MET B 183 -1.791 10.125 14.591 1.00 73.13 O ATOM 2199 CB MET B 183 0.218 10.349 11.750 1.00 34.02 C ATOM 2200 CG MET B 183 -1.049 10.203 10.898 1.00 11.22 C ATOM 2201 SD MET B 183 -2.543 11.054 11.477 1.00 71.44 S ATOM 2202 CE MET B 183 -3.547 11.001 9.974 1.00 44.44 C ATOM 0 H MET B 183 -1.323 8.292 13.289 1.00 24.13 H new ATOM 0 HA MET B 183 1.113 9.811 13.645 1.00 64.22 H new ATOM 0 HB2 MET B 183 0.471 11.407 11.814 1.00 34.02 H new ATOM 0 HB3 MET B 183 1.041 9.855 11.233 1.00 34.02 H new ATOM 0 HG2 MET B 183 -0.824 10.562 9.894 1.00 11.22 H new ATOM 0 HG3 MET B 183 -1.278 9.141 10.812 1.00 11.22 H new ATOM 0 HE1 MET B 183 -3.828 12.015 9.688 1.00 44.44 H new ATOM 0 HE2 MET B 183 -2.973 10.543 9.169 1.00 44.44 H new ATOM 0 HE3 MET B 183 -4.447 10.414 10.158 1.00 44.44 H new ATOM 2212 N ALA B 184 -0.457 11.903 14.199 1.00 61.32 N ATOM 2213 CA ALA B 184 -1.186 12.899 14.957 1.00 11.20 C ATOM 2214 C ALA B 184 -1.589 14.018 14.000 1.00 53.31 C ATOM 2215 O ALA B 184 -0.846 14.341 13.070 1.00 11.52 O ATOM 2216 CB ALA B 184 -0.292 13.436 16.074 1.00 45.33 C ATOM 0 H ALA B 184 0.384 12.286 13.767 1.00 61.32 H new ATOM 0 HA ALA B 184 -2.079 12.469 15.411 1.00 11.20 H new ATOM 0 HB1 ALA B 184 -0.837 14.186 16.647 1.00 45.33 H new ATOM 0 HB2 ALA B 184 -0.001 12.617 16.732 1.00 45.33 H new ATOM 0 HB3 ALA B 184 0.600 13.888 15.640 1.00 45.33 H new ATOM 2222 N GLU B 185 -2.753 14.609 14.238 1.00 65.02 N ATOM 2223 CA GLU B 185 -3.339 15.698 13.477 1.00 51.21 C ATOM 2224 C GLU B 185 -4.182 16.493 14.454 1.00 25.33 C ATOM 2225 O GLU B 185 -4.850 15.869 15.309 1.00 31.12 O ATOM 2226 CB GLU B 185 -4.170 15.187 12.283 1.00 32.32 C ATOM 2227 CG GLU B 185 -5.286 14.187 12.640 1.00 21.34 C ATOM 2228 CD GLU B 185 -6.278 13.993 11.498 1.00 71.04 C ATOM 2229 OE1 GLU B 185 -7.026 14.936 11.156 1.00 42.35 O ATOM 2230 OE2 GLU B 185 -6.411 12.871 10.954 1.00 65.15 O ATOM 0 H GLU B 185 -3.347 14.321 15.016 1.00 65.02 H new ATOM 0 HA GLU B 185 -2.563 16.323 13.035 1.00 51.21 H new ATOM 0 HB2 GLU B 185 -4.619 16.044 11.780 1.00 32.32 H new ATOM 0 HB3 GLU B 185 -3.496 14.715 11.568 1.00 32.32 H new ATOM 0 HG2 GLU B 185 -4.841 13.226 12.898 1.00 21.34 H new ATOM 0 HG3 GLU B 185 -5.818 14.540 13.524 1.00 21.34 H new TER 2237 GLU B 185