USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 THR OG1 : rot 180:sc= -0.228 USER MOD Set 1.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 SER OG : rot 150:sc= 1.18 USER MOD Set 2.2: A 25 SER OG : rot -66:sc= 1.08 USER MOD Single : A 9 THR OG1 : rot 38:sc= 0.0163 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -15:sc= -0.589 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.2) USER MOD Single : A 36 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.75 K(o=-1.8,f=-6.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -6.68! C(o=-7.9!,f=-6.7!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0762 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 52 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 58 SER OG : rot 59:sc= 1.07 USER MOD Single : A 59 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 64:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 15.332 14.746 -3.906 1.00 0.00 N ATOM 2 CA THR A 9 14.985 14.103 -2.607 1.00 0.00 C ATOM 3 C THR A 9 13.831 13.120 -2.818 1.00 0.00 C ATOM 4 O THR A 9 12.681 13.505 -2.895 1.00 0.00 O ATOM 5 CB THR A 9 14.564 15.177 -1.602 1.00 0.00 C ATOM 6 OG1 THR A 9 15.693 15.968 -1.256 1.00 0.00 O ATOM 7 CG2 THR A 9 14.002 14.511 -0.345 1.00 0.00 C ATOM 0 HA THR A 9 15.853 13.568 -2.223 1.00 0.00 H new ATOM 0 HB THR A 9 13.798 15.811 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.251 16.106 -2.050 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.703 15.277 0.370 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.136 13.905 -0.611 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.766 13.876 0.103 1.00 0.00 H new ATOM 17 N PHE A 10 14.128 11.852 -2.913 1.00 0.00 N ATOM 18 CA PHE A 10 13.046 10.847 -3.119 1.00 0.00 C ATOM 19 C PHE A 10 12.812 10.075 -1.819 1.00 0.00 C ATOM 20 O PHE A 10 13.375 10.388 -0.789 1.00 0.00 O ATOM 21 CB PHE A 10 13.459 9.872 -4.225 1.00 0.00 C ATOM 22 CG PHE A 10 13.261 10.535 -5.591 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.890 11.731 -5.887 1.00 0.00 C ATOM 24 CD2 PHE A 10 12.447 9.949 -6.544 1.00 0.00 C ATOM 25 CE1 PHE A 10 13.709 12.330 -7.116 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.267 10.550 -7.772 1.00 0.00 C ATOM 27 CZ PHE A 10 12.897 11.740 -8.059 1.00 0.00 C ATOM 0 H PHE A 10 15.072 11.469 -2.857 1.00 0.00 H new ATOM 0 HA PHE A 10 12.127 11.357 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.502 9.582 -4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.864 8.961 -4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.527 12.199 -5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.950 9.016 -6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.205 13.263 -7.339 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.630 10.086 -8.511 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.755 12.210 -9.021 1.00 0.00 H new ATOM 37 N VAL A 11 11.985 9.067 -1.860 1.00 0.00 N ATOM 38 CA VAL A 11 11.710 8.271 -0.631 1.00 0.00 C ATOM 39 C VAL A 11 11.626 6.789 -1.000 1.00 0.00 C ATOM 40 O VAL A 11 10.956 6.412 -1.941 1.00 0.00 O ATOM 41 CB VAL A 11 10.381 8.719 -0.016 1.00 0.00 C ATOM 42 CG1 VAL A 11 10.406 8.464 1.492 1.00 0.00 C ATOM 43 CG2 VAL A 11 10.173 10.213 -0.277 1.00 0.00 C ATOM 0 H VAL A 11 11.486 8.759 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 11 12.512 8.425 0.091 1.00 0.00 H new ATOM 0 HB VAL A 11 9.565 8.155 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.460 8.783 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.552 7.400 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.223 9.027 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.227 10.531 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.989 10.778 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.155 10.396 -1.351 1.00 0.00 H new ATOM 53 N ALA A 12 12.299 5.944 -0.269 1.00 0.00 N ATOM 54 CA ALA A 12 12.255 4.489 -0.585 1.00 0.00 C ATOM 55 C ALA A 12 10.847 3.947 -0.324 1.00 0.00 C ATOM 56 O ALA A 12 10.514 3.551 0.775 1.00 0.00 O ATOM 57 CB ALA A 12 13.260 3.743 0.294 1.00 0.00 C ATOM 0 H ALA A 12 12.877 6.198 0.532 1.00 0.00 H new ATOM 0 HA ALA A 12 12.510 4.341 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.227 2.679 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.263 4.125 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.007 3.893 1.344 1.00 0.00 H new ATOM 63 N LEU A 13 10.019 3.930 -1.330 1.00 0.00 N ATOM 64 CA LEU A 13 8.633 3.416 -1.152 1.00 0.00 C ATOM 65 C LEU A 13 8.663 2.097 -0.381 1.00 0.00 C ATOM 66 O LEU A 13 7.967 1.924 0.600 1.00 0.00 O ATOM 67 CB LEU A 13 8.005 3.170 -2.523 1.00 0.00 C ATOM 68 CG LEU A 13 7.132 4.356 -2.924 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.391 4.009 -4.215 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.118 4.646 -1.816 1.00 0.00 C ATOM 0 H LEU A 13 10.243 4.251 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 13 8.049 4.151 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.787 3.017 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.406 2.260 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 13 7.755 5.237 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.764 4.850 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.113 3.799 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.767 3.130 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.496 5.493 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.488 3.770 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.646 4.882 -0.892 1.00 0.00 H new ATOM 82 N TYR A 14 9.465 1.164 -0.815 1.00 0.00 N ATOM 83 CA TYR A 14 9.532 -0.142 -0.102 1.00 0.00 C ATOM 84 C TYR A 14 10.985 -0.508 0.202 1.00 0.00 C ATOM 85 O TYR A 14 11.886 0.294 0.058 1.00 0.00 O ATOM 86 CB TYR A 14 8.925 -1.225 -0.991 1.00 0.00 C ATOM 87 CG TYR A 14 7.545 -0.775 -1.468 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.410 -0.026 -2.619 1.00 0.00 C ATOM 89 CD2 TYR A 14 6.414 -1.111 -0.753 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.163 0.378 -3.050 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.166 -0.706 -1.183 1.00 0.00 C ATOM 92 CZ TYR A 14 5.031 0.041 -2.335 1.00 0.00 C ATOM 93 OH TYR A 14 3.784 0.446 -2.766 1.00 0.00 O ATOM 0 H TYR A 14 10.074 1.249 -1.629 1.00 0.00 H new ATOM 0 HA TYR A 14 8.980 -0.064 0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.574 -1.415 -1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.844 -2.161 -0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.287 0.246 -3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.506 -1.696 0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.072 0.962 -3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.289 -0.976 -0.613 1.00 0.00 H new ATOM 0 HH TYR A 14 3.101 0.120 -2.144 1.00 0.00 H new ATOM 103 N ASP A 15 11.211 -1.722 0.626 1.00 0.00 N ATOM 104 CA ASP A 15 12.596 -2.161 0.947 1.00 0.00 C ATOM 105 C ASP A 15 13.163 -2.944 -0.240 1.00 0.00 C ATOM 106 O ASP A 15 13.400 -4.132 -0.150 1.00 0.00 O ATOM 107 CB ASP A 15 12.573 -3.053 2.191 1.00 0.00 C ATOM 108 CG ASP A 15 13.918 -3.767 2.337 1.00 0.00 C ATOM 109 OD1 ASP A 15 14.877 -3.113 2.710 1.00 0.00 O ATOM 110 OD2 ASP A 15 13.966 -4.957 2.074 1.00 0.00 O ATOM 0 H ASP A 15 10.491 -2.431 0.764 1.00 0.00 H new ATOM 0 HA ASP A 15 13.223 -1.291 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.371 -2.452 3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.769 -3.784 2.111 1.00 0.00 H new ATOM 115 N TYR A 16 13.350 -2.280 -1.353 1.00 0.00 N ATOM 116 CA TYR A 16 13.901 -2.944 -2.578 1.00 0.00 C ATOM 117 C TYR A 16 14.829 -4.102 -2.192 1.00 0.00 C ATOM 118 O TYR A 16 15.745 -3.944 -1.410 1.00 0.00 O ATOM 119 CB TYR A 16 14.683 -1.903 -3.388 1.00 0.00 C ATOM 120 CG TYR A 16 15.621 -2.591 -4.385 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.115 -3.389 -5.391 1.00 0.00 C ATOM 122 CD2 TYR A 16 16.986 -2.413 -4.295 1.00 0.00 C ATOM 123 CE1 TYR A 16 15.963 -3.998 -6.294 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.834 -3.022 -5.199 1.00 0.00 C ATOM 125 CZ TYR A 16 17.328 -3.819 -6.205 1.00 0.00 C ATOM 126 OH TYR A 16 18.175 -4.429 -7.107 1.00 0.00 O ATOM 0 H TYR A 16 13.141 -1.288 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 16 13.081 -3.347 -3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 16 13.989 -1.253 -3.922 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.260 -1.269 -2.715 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.048 -3.538 -5.472 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.395 -1.792 -3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.554 -4.620 -7.077 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.901 -2.873 -5.118 1.00 0.00 H new ATOM 0 HH TYR A 16 17.690 -5.132 -7.588 1.00 0.00 H new ATOM 136 N GLU A 17 14.591 -5.264 -2.737 1.00 0.00 N ATOM 137 CA GLU A 17 15.452 -6.435 -2.409 1.00 0.00 C ATOM 138 C GLU A 17 16.274 -6.817 -3.640 1.00 0.00 C ATOM 139 O GLU A 17 15.818 -7.542 -4.502 1.00 0.00 O ATOM 140 CB GLU A 17 14.569 -7.616 -2.000 1.00 0.00 C ATOM 141 CG GLU A 17 13.390 -7.729 -2.968 1.00 0.00 C ATOM 142 CD GLU A 17 13.181 -9.196 -3.350 1.00 0.00 C ATOM 143 OE1 GLU A 17 13.580 -10.050 -2.576 1.00 0.00 O ATOM 144 OE2 GLU A 17 12.626 -9.438 -4.408 1.00 0.00 O ATOM 0 H GLU A 17 13.836 -5.453 -3.396 1.00 0.00 H new ATOM 0 HA GLU A 17 16.121 -6.179 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.150 -8.538 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.206 -7.477 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.487 -7.330 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.581 -7.133 -3.861 1.00 0.00 H new ATOM 151 N SER A 18 17.482 -6.336 -3.730 1.00 0.00 N ATOM 152 CA SER A 18 18.333 -6.671 -4.906 1.00 0.00 C ATOM 153 C SER A 18 18.468 -8.191 -5.025 1.00 0.00 C ATOM 154 O SER A 18 18.224 -8.921 -4.086 1.00 0.00 O ATOM 155 CB SER A 18 19.719 -6.051 -4.723 1.00 0.00 C ATOM 156 OG SER A 18 19.967 -5.845 -3.341 1.00 0.00 O ATOM 0 H SER A 18 17.918 -5.725 -3.039 1.00 0.00 H new ATOM 0 HA SER A 18 17.872 -6.276 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.481 -6.706 -5.146 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.779 -5.104 -5.259 1.00 0.00 H new ATOM 0 HG SER A 18 20.929 -5.918 -3.167 1.00 0.00 H new ATOM 162 N ARG A 19 18.853 -8.671 -6.175 1.00 0.00 N ATOM 163 CA ARG A 19 19.004 -10.142 -6.356 1.00 0.00 C ATOM 164 C ARG A 19 20.491 -10.494 -6.413 1.00 0.00 C ATOM 165 O ARG A 19 20.904 -11.559 -5.999 1.00 0.00 O ATOM 166 CB ARG A 19 18.330 -10.577 -7.662 1.00 0.00 C ATOM 167 CG ARG A 19 17.168 -9.633 -7.984 1.00 0.00 C ATOM 168 CD ARG A 19 16.313 -10.242 -9.098 1.00 0.00 C ATOM 169 NE ARG A 19 17.182 -10.599 -10.254 1.00 0.00 N ATOM 170 CZ ARG A 19 17.538 -9.683 -11.112 1.00 0.00 C ATOM 171 NH1 ARG A 19 16.640 -9.107 -11.861 1.00 0.00 N ATOM 172 NH2 ARG A 19 18.794 -9.342 -11.220 1.00 0.00 N ATOM 0 H ARG A 19 19.070 -8.108 -6.997 1.00 0.00 H new ATOM 0 HA ARG A 19 18.534 -10.658 -5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.054 -10.568 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 19 17.965 -11.600 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.561 -9.468 -7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.550 -8.660 -8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.796 -11.129 -8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 19 15.546 -9.533 -9.411 1.00 0.00 H new ATOM 0 HE ARG A 19 17.499 -11.561 -10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.659 -9.372 -11.776 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.919 -8.391 -12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 19 19.497 -9.792 -10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.072 -8.626 -11.891 1.00 0.00 H new ATOM 186 N THR A 20 21.297 -9.607 -6.925 1.00 0.00 N ATOM 187 CA THR A 20 22.758 -9.884 -7.011 1.00 0.00 C ATOM 188 C THR A 20 23.490 -9.096 -5.925 1.00 0.00 C ATOM 189 O THR A 20 22.892 -8.351 -5.175 1.00 0.00 O ATOM 190 CB THR A 20 23.274 -9.459 -8.388 1.00 0.00 C ATOM 191 OG1 THR A 20 24.673 -9.697 -8.461 1.00 0.00 O ATOM 192 CG2 THR A 20 22.995 -7.970 -8.601 1.00 0.00 C ATOM 0 H THR A 20 21.006 -8.699 -7.289 1.00 0.00 H new ATOM 0 HA THR A 20 22.937 -10.950 -6.868 1.00 0.00 H new ATOM 0 HB THR A 20 22.767 -10.035 -9.162 1.00 0.00 H new ATOM 0 HG1 THR A 20 25.005 -9.427 -9.343 1.00 0.00 H new ATOM 0 HG21 THR A 20 23.363 -7.668 -9.582 1.00 0.00 H new ATOM 0 HG22 THR A 20 21.922 -7.789 -8.544 1.00 0.00 H new ATOM 0 HG23 THR A 20 23.502 -7.391 -7.829 1.00 0.00 H new ATOM 200 N GLU A 21 24.783 -9.253 -5.834 1.00 0.00 N ATOM 201 CA GLU A 21 25.551 -8.512 -4.795 1.00 0.00 C ATOM 202 C GLU A 21 25.951 -7.137 -5.336 1.00 0.00 C ATOM 203 O GLU A 21 26.626 -6.373 -4.675 1.00 0.00 O ATOM 204 CB GLU A 21 26.809 -9.301 -4.430 1.00 0.00 C ATOM 205 CG GLU A 21 26.678 -9.837 -3.004 1.00 0.00 C ATOM 206 CD GLU A 21 27.489 -8.955 -2.052 1.00 0.00 C ATOM 207 OE1 GLU A 21 27.225 -7.764 -2.010 1.00 0.00 O ATOM 208 OE2 GLU A 21 28.360 -9.485 -1.382 1.00 0.00 O ATOM 0 H GLU A 21 25.339 -9.862 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 21 24.930 -8.386 -3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 21 26.949 -10.126 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 21 27.688 -8.662 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 21 25.630 -9.848 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 21 27.035 -10.866 -2.956 1.00 0.00 H new ATOM 215 N THR A 22 25.541 -6.815 -6.532 1.00 0.00 N ATOM 216 CA THR A 22 25.900 -5.490 -7.110 1.00 0.00 C ATOM 217 C THR A 22 24.918 -4.432 -6.603 1.00 0.00 C ATOM 218 O THR A 22 25.265 -3.576 -5.813 1.00 0.00 O ATOM 219 CB THR A 22 25.830 -5.562 -8.638 1.00 0.00 C ATOM 220 OG1 THR A 22 26.757 -6.532 -9.106 1.00 0.00 O ATOM 221 CG2 THR A 22 26.173 -4.195 -9.231 1.00 0.00 C ATOM 0 H THR A 22 24.973 -7.412 -7.133 1.00 0.00 H new ATOM 0 HA THR A 22 26.912 -5.223 -6.807 1.00 0.00 H new ATOM 0 HB THR A 22 24.823 -5.844 -8.944 1.00 0.00 H new ATOM 0 HG1 THR A 22 26.713 -6.581 -10.084 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.123 -4.247 -10.319 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.461 -3.453 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 22 27.180 -3.909 -8.928 1.00 0.00 H new ATOM 229 N ASP A 23 23.695 -4.483 -7.051 1.00 0.00 N ATOM 230 CA ASP A 23 22.690 -3.481 -6.594 1.00 0.00 C ATOM 231 C ASP A 23 22.495 -3.608 -5.082 1.00 0.00 C ATOM 232 O ASP A 23 22.346 -4.692 -4.555 1.00 0.00 O ATOM 233 CB ASP A 23 21.357 -3.737 -7.301 1.00 0.00 C ATOM 234 CG ASP A 23 21.617 -4.165 -8.746 1.00 0.00 C ATOM 235 OD1 ASP A 23 22.625 -3.750 -9.294 1.00 0.00 O ATOM 236 OD2 ASP A 23 20.804 -4.902 -9.281 1.00 0.00 O ATOM 0 H ASP A 23 23.347 -5.175 -7.714 1.00 0.00 H new ATOM 0 HA ASP A 23 23.043 -2.478 -6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.798 -4.512 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.745 -2.835 -7.283 1.00 0.00 H new ATOM 241 N LEU A 24 22.496 -2.509 -4.379 1.00 0.00 N ATOM 242 CA LEU A 24 22.311 -2.572 -2.903 1.00 0.00 C ATOM 243 C LEU A 24 20.823 -2.472 -2.577 1.00 0.00 C ATOM 244 O LEU A 24 20.076 -1.777 -3.235 1.00 0.00 O ATOM 245 CB LEU A 24 23.048 -1.414 -2.228 1.00 0.00 C ATOM 246 CG LEU A 24 24.357 -1.138 -2.965 1.00 0.00 C ATOM 247 CD1 LEU A 24 24.974 0.158 -2.436 1.00 0.00 C ATOM 248 CD2 LEU A 24 25.331 -2.294 -2.738 1.00 0.00 C ATOM 0 H LEU A 24 22.617 -1.572 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 24 22.713 -3.516 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 24 22.423 -0.521 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 24 23.251 -1.658 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 24 24.157 -1.040 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.908 0.357 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.282 0.984 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 24 25.171 0.058 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.263 -2.093 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 24 25.532 -2.396 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.893 -3.218 -3.115 1.00 0.00 H new ATOM 260 N SER A 25 20.390 -3.163 -1.565 1.00 0.00 N ATOM 261 CA SER A 25 18.951 -3.111 -1.192 1.00 0.00 C ATOM 262 C SER A 25 18.745 -2.027 -0.135 1.00 0.00 C ATOM 263 O SER A 25 19.492 -1.927 0.819 1.00 0.00 O ATOM 264 CB SER A 25 18.522 -4.462 -0.622 1.00 0.00 C ATOM 265 OG SER A 25 19.576 -5.401 -0.780 1.00 0.00 O ATOM 0 H SER A 25 20.970 -3.763 -0.978 1.00 0.00 H new ATOM 0 HA SER A 25 18.353 -2.884 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.268 -4.359 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.626 -4.816 -1.133 1.00 0.00 H new ATOM 0 HG SER A 25 19.724 -5.570 -1.734 1.00 0.00 H new ATOM 271 N PHE A 26 17.741 -1.213 -0.295 1.00 0.00 N ATOM 272 CA PHE A 26 17.498 -0.139 0.708 1.00 0.00 C ATOM 273 C PHE A 26 16.218 -0.445 1.482 1.00 0.00 C ATOM 274 O PHE A 26 15.551 -1.432 1.237 1.00 0.00 O ATOM 275 CB PHE A 26 17.361 1.212 0.002 1.00 0.00 C ATOM 276 CG PHE A 26 16.401 1.087 -1.183 1.00 0.00 C ATOM 277 CD1 PHE A 26 15.039 1.231 -0.999 1.00 0.00 C ATOM 278 CD2 PHE A 26 16.886 0.845 -2.456 1.00 0.00 C ATOM 279 CE1 PHE A 26 14.175 1.138 -2.070 1.00 0.00 C ATOM 280 CE2 PHE A 26 16.022 0.752 -3.528 1.00 0.00 C ATOM 281 CZ PHE A 26 14.666 0.898 -3.334 1.00 0.00 C ATOM 0 H PHE A 26 17.081 -1.243 -1.072 1.00 0.00 H new ATOM 0 HA PHE A 26 18.340 -0.096 1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 26 16.992 1.962 0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 26 18.337 1.552 -0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.648 1.418 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 26 17.948 0.728 -2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.112 1.254 -1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.409 0.565 -4.519 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.989 0.824 -4.172 1.00 0.00 H new ATOM 291 N LYS A 27 15.866 0.394 2.413 1.00 0.00 N ATOM 292 CA LYS A 27 14.628 0.152 3.205 1.00 0.00 C ATOM 293 C LYS A 27 13.713 1.372 3.113 1.00 0.00 C ATOM 294 O LYS A 27 14.143 2.460 2.783 1.00 0.00 O ATOM 295 CB LYS A 27 15.001 -0.093 4.669 1.00 0.00 C ATOM 296 CG LYS A 27 16.095 -1.161 4.745 1.00 0.00 C ATOM 297 CD LYS A 27 17.467 -0.484 4.779 1.00 0.00 C ATOM 298 CE LYS A 27 18.045 -0.572 6.194 1.00 0.00 C ATOM 299 NZ LYS A 27 19.375 -1.240 6.147 1.00 0.00 N ATOM 0 H LYS A 27 16.382 1.238 2.661 1.00 0.00 H new ATOM 0 HA LYS A 27 14.109 -0.721 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.349 0.833 5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.124 -0.415 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.958 -1.774 5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.028 -1.828 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.140 -0.966 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.377 0.559 4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.142 0.426 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.368 -1.131 6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.768 -1.300 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.269 -2.198 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.019 -0.689 5.544 1.00 0.00 H new ATOM 313 N LYS A 28 12.451 1.202 3.399 1.00 0.00 N ATOM 314 CA LYS A 28 11.511 2.354 3.327 1.00 0.00 C ATOM 315 C LYS A 28 11.796 3.316 4.481 1.00 0.00 C ATOM 316 O LYS A 28 11.211 3.221 5.542 1.00 0.00 O ATOM 317 CB LYS A 28 10.071 1.844 3.427 1.00 0.00 C ATOM 318 CG LYS A 28 9.122 3.027 3.630 1.00 0.00 C ATOM 319 CD LYS A 28 8.563 2.995 5.054 1.00 0.00 C ATOM 320 CE LYS A 28 7.220 2.261 5.057 1.00 0.00 C ATOM 321 NZ LYS A 28 7.396 0.904 5.646 1.00 0.00 N ATOM 0 H LYS A 28 12.031 0.315 3.679 1.00 0.00 H new ATOM 0 HA LYS A 28 11.645 2.876 2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.803 1.301 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.979 1.144 4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.650 3.964 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.307 2.982 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.265 2.494 5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.436 4.010 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.486 2.826 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.835 2.181 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.483 0.405 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.083 0.366 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.745 0.992 6.622 1.00 0.00 H new ATOM 335 N GLY A 29 12.695 4.241 4.283 1.00 0.00 N ATOM 336 CA GLY A 29 13.020 5.209 5.367 1.00 0.00 C ATOM 337 C GLY A 29 14.438 5.741 5.164 1.00 0.00 C ATOM 338 O GLY A 29 14.788 6.803 5.639 1.00 0.00 O ATOM 0 H GLY A 29 13.218 4.368 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.306 6.033 5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.937 4.724 6.340 1.00 0.00 H new ATOM 342 N GLU A 30 15.260 5.011 4.460 1.00 0.00 N ATOM 343 CA GLU A 30 16.655 5.474 4.225 1.00 0.00 C ATOM 344 C GLU A 30 16.653 6.580 3.168 1.00 0.00 C ATOM 345 O GLU A 30 15.787 6.636 2.318 1.00 0.00 O ATOM 346 CB GLU A 30 17.506 4.301 3.734 1.00 0.00 C ATOM 347 CG GLU A 30 18.979 4.714 3.709 1.00 0.00 C ATOM 348 CD GLU A 30 19.774 3.713 2.868 1.00 0.00 C ATOM 349 OE1 GLU A 30 19.201 2.709 2.481 1.00 0.00 O ATOM 350 OE2 GLU A 30 20.942 3.969 2.627 1.00 0.00 O ATOM 0 H GLU A 30 15.024 4.113 4.037 1.00 0.00 H new ATOM 0 HA GLU A 30 17.071 5.860 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.370 3.440 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.185 3.998 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.080 5.716 3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.375 4.749 4.724 1.00 0.00 H new ATOM 357 N ARG A 31 17.614 7.460 3.214 1.00 0.00 N ATOM 358 CA ARG A 31 17.664 8.561 2.213 1.00 0.00 C ATOM 359 C ARG A 31 18.485 8.114 1.001 1.00 0.00 C ATOM 360 O ARG A 31 19.590 7.629 1.132 1.00 0.00 O ATOM 361 CB ARG A 31 18.313 9.795 2.842 1.00 0.00 C ATOM 362 CG ARG A 31 17.227 10.693 3.436 1.00 0.00 C ATOM 363 CD ARG A 31 17.846 11.610 4.491 1.00 0.00 C ATOM 364 NE ARG A 31 16.930 11.709 5.663 1.00 0.00 N ATOM 365 CZ ARG A 31 16.582 12.879 6.122 1.00 0.00 C ATOM 366 NH1 ARG A 31 15.685 13.588 5.492 1.00 0.00 N ATOM 367 NH2 ARG A 31 17.131 13.342 7.212 1.00 0.00 N ATOM 0 H ARG A 31 18.367 7.464 3.902 1.00 0.00 H new ATOM 0 HA ARG A 31 16.651 8.807 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 31 19.016 9.494 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.883 10.343 2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.761 11.287 2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 31 16.441 10.084 3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 31 18.814 11.220 4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 31 18.023 12.600 4.070 1.00 0.00 H new ATOM 0 HE ARG A 31 16.575 10.861 6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.256 13.227 4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.413 14.503 5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.832 12.789 7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.859 14.257 7.571 1.00 0.00 H new ATOM 381 N LEU A 32 17.950 8.274 -0.178 1.00 0.00 N ATOM 382 CA LEU A 32 18.697 7.859 -1.399 1.00 0.00 C ATOM 383 C LEU A 32 18.761 9.034 -2.377 1.00 0.00 C ATOM 384 O LEU A 32 17.752 9.602 -2.746 1.00 0.00 O ATOM 385 CB LEU A 32 17.979 6.680 -2.060 1.00 0.00 C ATOM 386 CG LEU A 32 18.169 5.424 -1.206 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.847 5.066 -0.526 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.615 4.263 -2.097 1.00 0.00 C ATOM 0 H LEU A 32 17.028 8.674 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 32 19.708 7.558 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.917 6.902 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.375 6.515 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 32 18.929 5.612 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.981 4.172 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.529 5.893 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.087 4.878 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.750 3.369 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.856 4.074 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.557 4.518 -2.582 1.00 0.00 H new ATOM 400 N GLN A 33 19.938 9.405 -2.798 1.00 0.00 N ATOM 401 CA GLN A 33 20.063 10.544 -3.751 1.00 0.00 C ATOM 402 C GLN A 33 20.101 10.012 -5.185 1.00 0.00 C ATOM 403 O GLN A 33 21.056 9.386 -5.599 1.00 0.00 O ATOM 404 CB GLN A 33 21.353 11.312 -3.459 1.00 0.00 C ATOM 405 CG GLN A 33 21.423 12.551 -4.356 1.00 0.00 C ATOM 406 CD GLN A 33 20.439 13.605 -3.846 1.00 0.00 C ATOM 407 OE1 GLN A 33 20.660 14.212 -2.817 1.00 0.00 O ATOM 408 NE2 GLN A 33 19.353 13.849 -4.526 1.00 0.00 N ATOM 0 H GLN A 33 20.819 8.969 -2.524 1.00 0.00 H new ATOM 0 HA GLN A 33 19.207 11.209 -3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.384 11.607 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.218 10.672 -3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.436 12.954 -4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.184 12.282 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 33 19.167 13.340 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 33 18.690 14.549 -4.194 1.00 0.00 H new ATOM 417 N ILE A 34 19.070 10.256 -5.946 1.00 0.00 N ATOM 418 CA ILE A 34 19.051 9.764 -7.352 1.00 0.00 C ATOM 419 C ILE A 34 20.298 10.273 -8.077 1.00 0.00 C ATOM 420 O ILE A 34 20.828 11.318 -7.756 1.00 0.00 O ATOM 421 CB ILE A 34 17.796 10.281 -8.059 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.575 10.077 -7.157 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.594 9.510 -9.365 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.589 8.657 -6.588 1.00 0.00 C ATOM 0 H ILE A 34 18.241 10.774 -5.655 1.00 0.00 H new ATOM 0 HA ILE A 34 19.042 8.674 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 34 17.915 11.343 -8.274 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.584 10.805 -6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.659 10.243 -7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.700 9.877 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.460 9.654 -10.010 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.477 8.449 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.720 8.514 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.559 7.937 -7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.498 8.507 -6.006 1.00 0.00 H new ATOM 436 N VAL A 35 20.771 9.549 -9.053 1.00 0.00 N ATOM 437 CA VAL A 35 21.985 10.003 -9.790 1.00 0.00 C ATOM 438 C VAL A 35 21.647 10.239 -11.261 1.00 0.00 C ATOM 439 O VAL A 35 21.956 11.271 -11.821 1.00 0.00 O ATOM 440 CB VAL A 35 23.076 8.936 -9.681 1.00 0.00 C ATOM 441 CG1 VAL A 35 24.237 9.298 -10.610 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.579 8.867 -8.239 1.00 0.00 C ATOM 0 H VAL A 35 20.372 8.666 -9.372 1.00 0.00 H new ATOM 0 HA VAL A 35 22.340 10.936 -9.352 1.00 0.00 H new ATOM 0 HB VAL A 35 22.668 7.967 -9.970 1.00 0.00 H new ATOM 0 HG11 VAL A 35 25.015 8.538 -10.533 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.878 9.347 -11.638 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.646 10.266 -10.321 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.356 8.107 -8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.988 9.835 -7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.752 8.610 -7.577 1.00 0.00 H new ATOM 452 N ASN A 36 21.014 9.293 -11.893 1.00 0.00 N ATOM 453 CA ASN A 36 20.661 9.471 -13.330 1.00 0.00 C ATOM 454 C ASN A 36 19.352 8.740 -13.640 1.00 0.00 C ATOM 455 O ASN A 36 18.762 8.113 -12.784 1.00 0.00 O ATOM 456 CB ASN A 36 21.779 8.895 -14.199 1.00 0.00 C ATOM 457 CG ASN A 36 22.462 10.026 -14.968 1.00 0.00 C ATOM 458 OD1 ASN A 36 22.102 10.318 -16.091 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.442 10.682 -14.407 1.00 0.00 N ATOM 0 H ASN A 36 20.726 8.406 -11.480 1.00 0.00 H new ATOM 0 HA ASN A 36 20.538 10.533 -13.541 1.00 0.00 H new ATOM 0 HB2 ASN A 36 22.506 8.374 -13.576 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.372 8.162 -14.895 1.00 0.00 H new ATOM 0 HD21 ASN A 36 23.904 11.438 -14.912 1.00 0.00 H new ATOM 0 HD22 ASN A 36 23.745 10.438 -13.464 1.00 0.00 H new ATOM 466 N ASN A 37 18.895 8.817 -14.862 1.00 0.00 N ATOM 467 CA ASN A 37 17.627 8.129 -15.234 1.00 0.00 C ATOM 468 C ASN A 37 16.449 8.786 -14.509 1.00 0.00 C ATOM 469 O ASN A 37 16.138 8.456 -13.383 1.00 0.00 O ATOM 470 CB ASN A 37 17.713 6.654 -14.838 1.00 0.00 C ATOM 471 CG ASN A 37 19.011 6.056 -15.383 1.00 0.00 C ATOM 472 OD1 ASN A 37 20.076 6.301 -14.854 1.00 0.00 O ATOM 473 ND2 ASN A 37 18.966 5.275 -16.428 1.00 0.00 N ATOM 0 H ASN A 37 19.348 9.329 -15.620 1.00 0.00 H new ATOM 0 HA ASN A 37 17.476 8.209 -16.310 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.682 6.555 -13.753 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.855 6.110 -15.233 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.825 4.871 -16.800 1.00 0.00 H new ATOM 0 HD22 ASN A 37 18.071 5.069 -16.873 1.00 0.00 H new ATOM 480 N THR A 38 15.792 9.714 -15.150 1.00 0.00 N ATOM 481 CA THR A 38 14.635 10.393 -14.501 1.00 0.00 C ATOM 482 C THR A 38 13.351 9.626 -14.823 1.00 0.00 C ATOM 483 O THR A 38 12.421 9.594 -14.041 1.00 0.00 O ATOM 484 CB THR A 38 14.522 11.825 -15.028 1.00 0.00 C ATOM 485 OG1 THR A 38 13.234 12.341 -14.722 1.00 0.00 O ATOM 486 CG2 THR A 38 14.730 11.833 -16.543 1.00 0.00 C ATOM 0 H THR A 38 16.007 10.031 -16.095 1.00 0.00 H new ATOM 0 HA THR A 38 14.784 10.416 -13.421 1.00 0.00 H new ATOM 0 HB THR A 38 15.284 12.446 -14.557 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.161 13.259 -15.058 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.649 12.854 -16.916 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.719 11.439 -16.777 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.970 11.212 -17.018 1.00 0.00 H new ATOM 494 N GLU A 39 13.293 9.008 -15.971 1.00 0.00 N ATOM 495 CA GLU A 39 12.075 8.242 -16.351 1.00 0.00 C ATOM 496 C GLU A 39 11.852 7.107 -15.353 1.00 0.00 C ATOM 497 O GLU A 39 12.426 7.086 -14.283 1.00 0.00 O ATOM 498 CB GLU A 39 12.273 7.659 -17.748 1.00 0.00 C ATOM 499 CG GLU A 39 12.356 8.794 -18.770 1.00 0.00 C ATOM 500 CD GLU A 39 13.634 8.642 -19.598 1.00 0.00 C ATOM 501 OE1 GLU A 39 14.691 8.969 -19.083 1.00 0.00 O ATOM 502 OE2 GLU A 39 13.534 8.205 -20.732 1.00 0.00 O ATOM 0 H GLU A 39 14.041 9.001 -16.664 1.00 0.00 H new ATOM 0 HA GLU A 39 11.207 8.902 -16.344 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.184 7.062 -17.778 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.447 6.993 -17.996 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.483 8.775 -19.422 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.352 9.758 -18.260 1.00 0.00 H new ATOM 509 N GLY A 40 11.011 6.171 -15.691 1.00 0.00 N ATOM 510 CA GLY A 40 10.745 5.032 -14.767 1.00 0.00 C ATOM 511 C GLY A 40 11.499 3.792 -15.258 1.00 0.00 C ATOM 512 O GLY A 40 11.097 3.144 -16.203 1.00 0.00 O ATOM 0 H GLY A 40 10.494 6.145 -16.570 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.062 5.288 -13.756 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.675 4.827 -14.723 1.00 0.00 H new ATOM 516 N ASP A 41 12.588 3.456 -14.620 1.00 0.00 N ATOM 517 CA ASP A 41 13.368 2.262 -15.047 1.00 0.00 C ATOM 518 C ASP A 41 14.256 1.797 -13.883 1.00 0.00 C ATOM 519 O ASP A 41 13.777 1.261 -12.903 1.00 0.00 O ATOM 520 CB ASP A 41 14.243 2.635 -16.246 1.00 0.00 C ATOM 521 CG ASP A 41 13.357 3.069 -17.415 1.00 0.00 C ATOM 522 OD1 ASP A 41 13.033 4.243 -17.483 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.019 2.220 -18.224 1.00 0.00 O ATOM 0 H ASP A 41 12.971 3.959 -13.820 1.00 0.00 H new ATOM 0 HA ASP A 41 12.690 1.457 -15.330 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.924 3.441 -15.974 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.857 1.784 -16.539 1.00 0.00 H new ATOM 528 N TRP A 42 15.545 1.998 -13.981 1.00 0.00 N ATOM 529 CA TRP A 42 16.460 1.573 -12.888 1.00 0.00 C ATOM 530 C TRP A 42 17.487 2.679 -12.680 1.00 0.00 C ATOM 531 O TRP A 42 18.583 2.638 -13.201 1.00 0.00 O ATOM 532 CB TRP A 42 17.154 0.269 -13.278 1.00 0.00 C ATOM 533 CG TRP A 42 16.095 -0.824 -13.410 1.00 0.00 C ATOM 534 CD1 TRP A 42 15.207 -0.917 -14.413 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.882 -1.790 -12.522 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.465 -1.972 -14.078 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.816 -2.578 -12.913 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.553 -2.067 -11.349 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.423 -3.641 -12.125 1.00 0.00 C ATOM 540 CZ3 TRP A 42 16.159 -3.130 -10.563 1.00 0.00 C ATOM 541 CH2 TRP A 42 15.094 -3.917 -10.951 1.00 0.00 C ATOM 0 H TRP A 42 16.002 2.441 -14.778 1.00 0.00 H new ATOM 0 HA TRP A 42 15.905 1.402 -11.965 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.690 0.392 -14.219 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.892 -0.007 -12.525 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.116 -0.286 -15.285 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.690 -2.301 -14.654 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.387 -1.451 -11.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.589 -4.257 -12.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.684 -3.346 -9.644 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.785 -4.749 -10.336 1.00 0.00 H new ATOM 552 N TRP A 43 17.129 3.666 -11.914 1.00 0.00 N ATOM 553 CA TRP A 43 18.058 4.794 -11.654 1.00 0.00 C ATOM 554 C TRP A 43 19.089 4.396 -10.598 1.00 0.00 C ATOM 555 O TRP A 43 18.850 3.541 -9.769 1.00 0.00 O ATOM 556 CB TRP A 43 17.247 5.992 -11.152 1.00 0.00 C ATOM 557 CG TRP A 43 15.866 5.988 -11.819 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.615 5.576 -13.078 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.738 6.410 -11.246 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.305 5.777 -13.218 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.680 6.292 -12.128 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.521 6.903 -9.975 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.410 6.670 -11.739 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.251 7.280 -9.586 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.196 7.164 -10.468 1.00 0.00 C ATOM 0 H TRP A 43 16.223 3.740 -11.452 1.00 0.00 H new ATOM 0 HA TRP A 43 18.582 5.054 -12.574 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.140 5.944 -10.068 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.770 6.921 -11.380 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.311 5.178 -13.802 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.808 5.560 -14.082 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.346 6.994 -9.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.584 6.579 -12.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.083 7.666 -8.591 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.203 7.460 -10.164 1.00 0.00 H new ATOM 576 N LEU A 44 20.239 5.009 -10.632 1.00 0.00 N ATOM 577 CA LEU A 44 21.296 4.678 -9.639 1.00 0.00 C ATOM 578 C LEU A 44 21.255 5.706 -8.509 1.00 0.00 C ATOM 579 O LEU A 44 21.302 6.898 -8.742 1.00 0.00 O ATOM 580 CB LEU A 44 22.664 4.722 -10.321 1.00 0.00 C ATOM 581 CG LEU A 44 23.762 4.512 -9.278 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.761 3.477 -9.796 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.484 5.837 -9.022 1.00 0.00 C ATOM 0 H LEU A 44 20.493 5.729 -11.309 1.00 0.00 H new ATOM 0 HA LEU A 44 21.126 3.680 -9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.724 3.950 -11.088 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.802 5.680 -10.821 1.00 0.00 H new ATOM 0 HG LEU A 44 23.319 4.157 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.545 3.325 -9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 44 24.246 2.534 -9.978 1.00 0.00 H new ATOM 0 HD13 LEU A 44 25.205 3.833 -10.726 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.267 5.687 -8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 44 24.929 6.194 -9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 44 23.771 6.575 -8.654 1.00 0.00 H new ATOM 595 N ALA A 45 21.167 5.263 -7.286 1.00 0.00 N ATOM 596 CA ALA A 45 21.122 6.231 -6.156 1.00 0.00 C ATOM 597 C ALA A 45 22.352 6.048 -5.264 1.00 0.00 C ATOM 598 O ALA A 45 22.798 4.945 -5.015 1.00 0.00 O ATOM 599 CB ALA A 45 19.855 5.995 -5.332 1.00 0.00 C ATOM 0 H ALA A 45 21.125 4.279 -7.021 1.00 0.00 H new ATOM 0 HA ALA A 45 21.116 7.246 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.822 6.704 -4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.978 6.134 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.861 4.978 -4.939 1.00 0.00 H new ATOM 605 N HIS A 46 22.901 7.128 -4.779 1.00 0.00 N ATOM 606 CA HIS A 46 24.099 7.033 -3.901 1.00 0.00 C ATOM 607 C HIS A 46 23.730 7.557 -2.506 1.00 0.00 C ATOM 608 O HIS A 46 23.005 8.522 -2.367 1.00 0.00 O ATOM 609 CB HIS A 46 25.239 7.866 -4.524 1.00 0.00 C ATOM 610 CG HIS A 46 26.054 8.589 -3.442 1.00 0.00 C ATOM 611 ND1 HIS A 46 25.746 9.721 -2.710 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 27.203 8.239 -3.037 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 26.758 10.006 -1.875 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.627 9.042 -2.135 1.00 0.00 N flip ATOM 0 H HIS A 46 22.569 8.076 -4.955 1.00 0.00 H new ATOM 0 HA HIS A 46 24.434 6.000 -3.808 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.894 7.215 -5.102 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.822 8.596 -5.218 1.00 0.00 H new ATOM 0 HD2 HIS A 46 27.749 7.382 -3.403 1.00 0.00 H new ATOM 0 HE1 HIS A 46 26.842 10.818 -1.168 1.00 0.00 H new ATOM 0 HE2 HIS A 46 28.530 8.950 -1.670 1.00 0.00 H new ATOM 622 N SER A 47 24.223 6.927 -1.475 1.00 0.00 N ATOM 623 CA SER A 47 23.899 7.390 -0.097 1.00 0.00 C ATOM 624 C SER A 47 24.753 8.613 0.246 1.00 0.00 C ATOM 625 O SER A 47 25.935 8.654 -0.030 1.00 0.00 O ATOM 626 CB SER A 47 24.192 6.267 0.900 1.00 0.00 C ATOM 627 OG SER A 47 23.477 5.100 0.520 1.00 0.00 O ATOM 0 H SER A 47 24.835 6.113 -1.528 1.00 0.00 H new ATOM 0 HA SER A 47 22.844 7.658 -0.043 1.00 0.00 H new ATOM 0 HB2 SER A 47 25.262 6.059 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.902 6.573 1.905 1.00 0.00 H new ATOM 0 HG SER A 47 23.665 4.379 1.157 1.00 0.00 H new ATOM 633 N LEU A 48 24.164 9.610 0.849 1.00 0.00 N ATOM 634 CA LEU A 48 24.941 10.828 1.208 1.00 0.00 C ATOM 635 C LEU A 48 25.679 10.594 2.529 1.00 0.00 C ATOM 636 O LEU A 48 26.575 11.330 2.889 1.00 0.00 O ATOM 637 CB LEU A 48 23.988 12.015 1.362 1.00 0.00 C ATOM 638 CG LEU A 48 23.018 12.044 0.180 1.00 0.00 C ATOM 639 CD1 LEU A 48 21.960 13.123 0.414 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.791 12.353 -1.104 1.00 0.00 C ATOM 0 H LEU A 48 23.178 9.632 1.108 1.00 0.00 H new ATOM 0 HA LEU A 48 25.664 11.041 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.436 11.933 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 48 24.553 12.946 1.406 1.00 0.00 H new ATOM 0 HG LEU A 48 22.530 11.074 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.269 13.144 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.410 12.901 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.446 14.094 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.101 12.374 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.279 13.323 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.544 11.582 -1.270 1.00 0.00 H new ATOM 652 N THR A 49 25.308 9.573 3.253 1.00 0.00 N ATOM 653 CA THR A 49 25.989 9.294 4.547 1.00 0.00 C ATOM 654 C THR A 49 27.286 8.527 4.287 1.00 0.00 C ATOM 655 O THR A 49 28.361 9.095 4.265 1.00 0.00 O ATOM 656 CB THR A 49 25.069 8.455 5.438 1.00 0.00 C ATOM 657 OG1 THR A 49 23.846 8.213 4.756 1.00 0.00 O ATOM 658 CG2 THR A 49 24.791 9.208 6.739 1.00 0.00 C ATOM 0 H THR A 49 24.564 8.922 3.004 1.00 0.00 H new ATOM 0 HA THR A 49 26.218 10.235 5.046 1.00 0.00 H new ATOM 0 HB THR A 49 25.551 7.505 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.256 7.675 5.324 1.00 0.00 H new ATOM 0 HG21 THR A 49 24.136 8.610 7.373 1.00 0.00 H new ATOM 0 HG22 THR A 49 25.730 9.393 7.260 1.00 0.00 H new ATOM 0 HG23 THR A 49 24.308 10.159 6.513 1.00 0.00 H new ATOM 666 N THR A 50 27.197 7.240 4.087 1.00 0.00 N ATOM 667 CA THR A 50 28.428 6.441 3.829 1.00 0.00 C ATOM 668 C THR A 50 28.852 6.616 2.369 1.00 0.00 C ATOM 669 O THR A 50 30.014 6.810 2.071 1.00 0.00 O ATOM 670 CB THR A 50 28.143 4.962 4.104 1.00 0.00 C ATOM 671 OG1 THR A 50 26.751 4.717 3.968 1.00 0.00 O ATOM 672 CG2 THR A 50 28.589 4.613 5.525 1.00 0.00 C ATOM 0 H THR A 50 26.326 6.708 4.091 1.00 0.00 H new ATOM 0 HA THR A 50 29.229 6.785 4.484 1.00 0.00 H new ATOM 0 HB THR A 50 28.691 4.346 3.391 1.00 0.00 H new ATOM 0 HG1 THR A 50 26.567 3.770 4.142 1.00 0.00 H new ATOM 0 HG21 THR A 50 28.386 3.560 5.722 1.00 0.00 H new ATOM 0 HG22 THR A 50 29.657 4.802 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 50 28.041 5.227 6.240 1.00 0.00 H new ATOM 680 N GLY A 51 27.921 6.551 1.458 1.00 0.00 N ATOM 681 CA GLY A 51 28.274 6.715 0.020 1.00 0.00 C ATOM 682 C GLY A 51 28.137 5.372 -0.701 1.00 0.00 C ATOM 683 O GLY A 51 28.882 5.066 -1.611 1.00 0.00 O ATOM 0 H GLY A 51 26.931 6.391 1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 51 27.621 7.455 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.294 7.087 -0.074 1.00 0.00 H new ATOM 687 N GLN A 52 27.191 4.565 -0.302 1.00 0.00 N ATOM 688 CA GLN A 52 27.012 3.245 -0.967 1.00 0.00 C ATOM 689 C GLN A 52 26.359 3.449 -2.336 1.00 0.00 C ATOM 690 O GLN A 52 25.628 4.395 -2.550 1.00 0.00 O ATOM 691 CB GLN A 52 26.118 2.352 -0.104 1.00 0.00 C ATOM 692 CG GLN A 52 26.972 1.285 0.583 1.00 0.00 C ATOM 693 CD GLN A 52 26.198 0.694 1.762 1.00 0.00 C ATOM 694 OE1 GLN A 52 24.894 0.754 1.766 1.00 0.00 O flip ATOM 695 NE2 GLN A 52 26.785 0.172 2.689 1.00 0.00 N flip ATOM 0 H GLN A 52 26.536 4.763 0.454 1.00 0.00 H new ATOM 0 HA GLN A 52 27.984 2.769 -1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 52 25.598 2.953 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 52 25.354 1.879 -0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.231 0.499 -0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.908 1.722 0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 52 27.804 0.125 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 52 26.259 -0.219 3.470 1.00 0.00 H new ATOM 704 N THR A 53 26.617 2.568 -3.263 1.00 0.00 N ATOM 705 CA THR A 53 26.012 2.713 -4.617 1.00 0.00 C ATOM 706 C THR A 53 25.033 1.563 -4.860 1.00 0.00 C ATOM 707 O THR A 53 25.420 0.415 -4.958 1.00 0.00 O ATOM 708 CB THR A 53 27.121 2.679 -5.674 1.00 0.00 C ATOM 709 OG1 THR A 53 27.823 3.913 -5.659 1.00 0.00 O ATOM 710 CG2 THR A 53 26.509 2.454 -7.059 1.00 0.00 C ATOM 0 H THR A 53 27.220 1.754 -3.142 1.00 0.00 H new ATOM 0 HA THR A 53 25.479 3.661 -4.682 1.00 0.00 H new ATOM 0 HB THR A 53 27.810 1.864 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.534 3.893 -6.333 1.00 0.00 H new ATOM 0 HG21 THR A 53 27.301 2.431 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.972 1.506 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.818 3.265 -7.288 1.00 0.00 H new ATOM 718 N GLY A 54 23.764 1.857 -4.961 1.00 0.00 N ATOM 719 CA GLY A 54 22.769 0.774 -5.196 1.00 0.00 C ATOM 720 C GLY A 54 21.712 1.250 -6.194 1.00 0.00 C ATOM 721 O GLY A 54 21.088 2.277 -6.012 1.00 0.00 O ATOM 0 H GLY A 54 23.376 2.798 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.269 -0.116 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.294 0.493 -4.256 1.00 0.00 H new ATOM 725 N TYR A 55 21.506 0.508 -7.247 1.00 0.00 N ATOM 726 CA TYR A 55 20.492 0.908 -8.260 1.00 0.00 C ATOM 727 C TYR A 55 19.096 0.550 -7.745 1.00 0.00 C ATOM 728 O TYR A 55 18.825 -0.582 -7.396 1.00 0.00 O ATOM 729 CB TYR A 55 20.757 0.160 -9.571 1.00 0.00 C ATOM 730 CG TYR A 55 22.251 -0.148 -9.701 1.00 0.00 C ATOM 731 CD1 TYR A 55 23.192 0.772 -9.288 1.00 0.00 C ATOM 732 CD2 TYR A 55 22.676 -1.347 -10.236 1.00 0.00 C ATOM 733 CE1 TYR A 55 24.539 0.497 -9.405 1.00 0.00 C ATOM 734 CE2 TYR A 55 24.023 -1.622 -10.353 1.00 0.00 C ATOM 735 CZ TYR A 55 24.965 -0.703 -9.940 1.00 0.00 C ATOM 736 OH TYR A 55 26.312 -0.981 -10.054 1.00 0.00 O ATOM 0 H TYR A 55 21.999 -0.362 -7.449 1.00 0.00 H new ATOM 0 HA TYR A 55 20.555 1.982 -8.435 1.00 0.00 H new ATOM 0 HB2 TYR A 55 20.182 -0.766 -9.594 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.426 0.762 -10.417 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.872 1.715 -8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 55 21.949 -2.075 -10.565 1.00 0.00 H new ATOM 0 HE1 TYR A 55 25.265 1.225 -9.076 1.00 0.00 H new ATOM 0 HE2 TYR A 55 24.343 -2.565 -10.772 1.00 0.00 H new ATOM 0 HH TYR A 55 26.802 -0.523 -9.339 1.00 0.00 H new ATOM 746 N ILE A 56 18.207 1.503 -7.696 1.00 0.00 N ATOM 747 CA ILE A 56 16.831 1.209 -7.203 1.00 0.00 C ATOM 748 C ILE A 56 15.854 1.226 -8.387 1.00 0.00 C ATOM 749 O ILE A 56 15.916 2.108 -9.220 1.00 0.00 O ATOM 750 CB ILE A 56 16.415 2.261 -6.159 1.00 0.00 C ATOM 751 CG1 ILE A 56 15.901 3.532 -6.848 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.622 2.611 -5.280 1.00 0.00 C ATOM 753 CD1 ILE A 56 17.041 4.210 -7.602 1.00 0.00 C ATOM 0 H ILE A 56 18.372 2.470 -7.975 1.00 0.00 H new ATOM 0 HA ILE A 56 16.813 0.225 -6.735 1.00 0.00 H new ATOM 0 HB ILE A 56 15.615 1.848 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 56 15.095 3.282 -7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 56 15.486 4.215 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.329 3.356 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.974 1.713 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.421 3.013 -5.903 1.00 0.00 H new ATOM 0 HD11 ILE A 56 16.670 5.112 -8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 56 17.833 4.476 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 56 17.436 3.528 -8.355 1.00 0.00 H new ATOM 765 N PRO A 57 14.982 0.249 -8.430 1.00 0.00 N ATOM 766 CA PRO A 57 13.987 0.143 -9.510 1.00 0.00 C ATOM 767 C PRO A 57 13.086 1.381 -9.520 1.00 0.00 C ATOM 768 O PRO A 57 13.054 2.145 -8.576 1.00 0.00 O ATOM 769 CB PRO A 57 13.175 -1.117 -9.179 1.00 0.00 C ATOM 770 CG PRO A 57 13.761 -1.724 -7.878 1.00 0.00 C ATOM 771 CD PRO A 57 14.914 -0.818 -7.415 1.00 0.00 C ATOM 0 HA PRO A 57 14.449 0.081 -10.495 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.122 -0.870 -9.046 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.233 -1.836 -9.997 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.993 -1.789 -7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.120 -2.738 -8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.723 -0.409 -6.423 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.852 -1.370 -7.357 1.00 0.00 H new ATOM 779 N SER A 58 12.356 1.585 -10.581 1.00 0.00 N ATOM 780 CA SER A 58 11.459 2.772 -10.652 1.00 0.00 C ATOM 781 C SER A 58 10.092 2.412 -10.065 1.00 0.00 C ATOM 782 O SER A 58 9.096 3.048 -10.350 1.00 0.00 O ATOM 783 CB SER A 58 11.301 3.200 -12.115 1.00 0.00 C ATOM 784 OG SER A 58 9.949 3.046 -12.522 1.00 0.00 O ATOM 0 H SER A 58 12.342 0.981 -11.403 1.00 0.00 H new ATOM 0 HA SER A 58 11.889 3.594 -10.080 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.609 4.239 -12.234 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.952 2.599 -12.751 1.00 0.00 H new ATOM 0 HG SER A 58 9.371 3.594 -11.951 1.00 0.00 H new ATOM 790 N ASN A 59 10.036 1.398 -9.248 1.00 0.00 N ATOM 791 CA ASN A 59 8.735 1.000 -8.646 1.00 0.00 C ATOM 792 C ASN A 59 8.888 0.881 -7.128 1.00 0.00 C ATOM 793 O ASN A 59 7.969 0.501 -6.431 1.00 0.00 O ATOM 794 CB ASN A 59 8.298 -0.349 -9.220 1.00 0.00 C ATOM 795 CG ASN A 59 6.775 -0.468 -9.137 1.00 0.00 C ATOM 796 OD1 ASN A 59 6.256 -1.252 -8.368 1.00 0.00 O ATOM 797 ND2 ASN A 59 6.031 0.281 -9.905 1.00 0.00 N ATOM 0 H ASN A 59 10.835 0.828 -8.971 1.00 0.00 H new ATOM 0 HA ASN A 59 7.984 1.755 -8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.625 -0.439 -10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.768 -1.162 -8.666 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.015 0.208 -9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.466 0.940 -10.551 1.00 0.00 H new ATOM 804 N TYR A 60 10.043 1.201 -6.608 1.00 0.00 N ATOM 805 CA TYR A 60 10.243 1.100 -5.136 1.00 0.00 C ATOM 806 C TYR A 60 10.610 2.473 -4.568 1.00 0.00 C ATOM 807 O TYR A 60 10.839 2.618 -3.383 1.00 0.00 O ATOM 808 CB TYR A 60 11.359 0.102 -4.839 1.00 0.00 C ATOM 809 CG TYR A 60 10.742 -1.272 -4.575 1.00 0.00 C ATOM 810 CD1 TYR A 60 9.790 -1.786 -5.431 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.117 -2.008 -3.473 1.00 0.00 C ATOM 812 CE1 TYR A 60 9.222 -3.018 -5.186 1.00 0.00 C ATOM 813 CE2 TYR A 60 10.548 -3.241 -3.227 1.00 0.00 C ATOM 814 CZ TYR A 60 9.596 -3.756 -4.082 1.00 0.00 C ATOM 815 OH TYR A 60 9.029 -4.990 -3.838 1.00 0.00 O ATOM 0 H TYR A 60 10.852 1.526 -7.137 1.00 0.00 H new ATOM 0 HA TYR A 60 9.320 0.757 -4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.050 0.049 -5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 60 11.935 0.428 -3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.488 -1.219 -6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.862 -1.617 -2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.478 -3.409 -5.864 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.850 -3.807 -2.358 1.00 0.00 H new ATOM 0 HH TYR A 60 9.410 -5.369 -3.019 1.00 0.00 H new ATOM 825 N VAL A 61 10.669 3.479 -5.400 1.00 0.00 N ATOM 826 CA VAL A 61 11.020 4.841 -4.903 1.00 0.00 C ATOM 827 C VAL A 61 10.026 5.852 -5.466 1.00 0.00 C ATOM 828 O VAL A 61 9.273 5.563 -6.374 1.00 0.00 O ATOM 829 CB VAL A 61 12.435 5.218 -5.351 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.576 5.006 -6.860 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.709 6.684 -5.021 1.00 0.00 C ATOM 0 H VAL A 61 10.489 3.416 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 61 10.979 4.846 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 61 13.152 4.586 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.585 5.276 -7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.390 3.959 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.854 5.632 -7.384 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.717 6.947 -5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.987 7.315 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.619 6.838 -3.946 1.00 0.00 H new ATOM 841 N ALA A 62 10.020 7.038 -4.933 1.00 0.00 N ATOM 842 CA ALA A 62 9.072 8.075 -5.435 1.00 0.00 C ATOM 843 C ALA A 62 9.609 9.472 -5.101 1.00 0.00 C ATOM 844 O ALA A 62 10.197 9.673 -4.058 1.00 0.00 O ATOM 845 CB ALA A 62 7.707 7.882 -4.773 1.00 0.00 C ATOM 0 H ALA A 62 10.629 7.338 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 62 8.970 7.977 -6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.014 8.640 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.322 6.891 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.810 7.977 -3.692 1.00 0.00 H new ATOM 851 N PRO A 63 9.388 10.401 -6.000 1.00 0.00 N ATOM 852 CA PRO A 63 9.843 11.791 -5.820 1.00 0.00 C ATOM 853 C PRO A 63 9.148 12.421 -4.609 1.00 0.00 C ATOM 854 O PRO A 63 7.997 12.152 -4.333 1.00 0.00 O ATOM 855 CB PRO A 63 9.431 12.512 -7.110 1.00 0.00 C ATOM 856 CG PRO A 63 8.676 11.490 -7.999 1.00 0.00 C ATOM 857 CD PRO A 63 8.673 10.140 -7.263 1.00 0.00 C ATOM 0 HA PRO A 63 10.916 11.856 -5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.794 13.367 -6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.308 12.897 -7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.656 11.826 -8.185 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.163 11.395 -8.970 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.657 9.792 -7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.173 9.368 -7.849 1.00 0.00 H new ATOM 865 N SER A 64 9.841 13.259 -3.885 1.00 0.00 N ATOM 866 CA SER A 64 9.219 13.906 -2.695 1.00 0.00 C ATOM 867 C SER A 64 8.428 12.863 -1.901 1.00 0.00 C ATOM 868 O SER A 64 8.641 11.684 -2.131 1.00 0.00 O ATOM 869 CB SER A 64 8.282 15.026 -3.154 1.00 0.00 C ATOM 870 OG SER A 64 6.932 14.605 -3.026 1.00 0.00 O ATOM 871 OXT SER A 64 7.621 13.262 -1.078 1.00 0.00 O ATOM 0 H SER A 64 10.809 13.523 -4.066 1.00 0.00 H new ATOM 0 HA SER A 64 9.999 14.326 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.451 15.922 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.494 15.289 -4.190 1.00 0.00 H new ATOM 0 HG SER A 64 6.725 14.452 -2.080 1.00 0.00 H new