USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 661 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 39 TYR OH : rot 30:sc= 0.176 USER MOD Set 1.2: A 55 THR OG1 : rot 37:sc= 0.177 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 32 SER OG : rot 82:sc= 0.126 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= -0.0064 USER MOD Set 3.2: A 112 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 14 SER OG : rot 123:sc= 0.0959 USER MOD Set 4.2: A 105 SER OG : rot 180:sc= 0.0892 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -30:sc= 0.0538 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 80:sc= 0.00344 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 79 ASN : amide:sc= -0.0711 K(o=-0.071,f=-0.67) USER MOD Single : A 87 GLN : amide:sc= 0.0329 X(o=0.033,f=0) USER MOD Single : A 91 THR OG1 : rot -1:sc= 0.475 USER MOD Single : A 92 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 96 ASN : amide:sc= -0.0898 X(o=-0.09,f=-0.09) USER MOD Single : A 99 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.099) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 114 SER OG : rot 69:sc= 0.673 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 4 10.353 -9.036 -6.280 1.00 0.00 N ATOM 32 CA SER A 4 9.384 -7.923 -6.345 1.00 0.00 C ATOM 33 C SER A 4 8.193 -8.214 -7.272 1.00 0.00 C ATOM 34 O SER A 4 7.071 -7.845 -6.936 1.00 0.00 O ATOM 35 CB SER A 4 10.049 -6.601 -6.739 1.00 0.00 C ATOM 36 OG SER A 4 10.486 -6.636 -8.087 1.00 0.00 O ATOM 0 HA SER A 4 8.993 -7.824 -5.332 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.345 -5.780 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.897 -6.406 -6.083 1.00 0.00 H new ATOM 0 HG SER A 4 10.906 -5.781 -8.317 1.00 0.00 H new ATOM 41 N SER A 5 8.392 -8.936 -8.382 1.00 0.00 N ATOM 42 CA SER A 5 7.315 -9.378 -9.285 1.00 0.00 C ATOM 43 C SER A 5 6.340 -10.341 -8.610 1.00 0.00 C ATOM 44 O SER A 5 5.132 -10.168 -8.737 1.00 0.00 O ATOM 45 CB SER A 5 7.882 -10.079 -10.529 1.00 0.00 C ATOM 46 OG SER A 5 8.958 -9.350 -11.102 1.00 0.00 O ATOM 0 H SER A 5 9.319 -9.235 -8.685 1.00 0.00 H new ATOM 0 HA SER A 5 6.782 -8.470 -9.568 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.223 -11.078 -10.259 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.091 -10.201 -11.269 1.00 0.00 H new ATOM 0 HG SER A 5 9.294 -9.827 -11.889 1.00 0.00 H new ATOM 51 N ALA A 6 6.845 -11.332 -7.871 1.00 0.00 N ATOM 52 CA ALA A 6 6.019 -12.319 -7.179 1.00 0.00 C ATOM 53 C ALA A 6 5.305 -11.711 -5.963 1.00 0.00 C ATOM 54 O ALA A 6 4.112 -11.932 -5.745 1.00 0.00 O ATOM 55 CB ALA A 6 6.895 -13.508 -6.777 1.00 0.00 C ATOM 0 H ALA A 6 7.846 -11.471 -7.736 1.00 0.00 H new ATOM 0 HA ALA A 6 5.236 -12.662 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.287 -14.250 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.332 -13.956 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.691 -13.166 -6.115 1.00 0.00 H new ATOM 61 N PHE A 7 6.017 -10.869 -5.211 1.00 0.00 N ATOM 62 CA PHE A 7 5.463 -10.057 -4.132 1.00 0.00 C ATOM 63 C PHE A 7 4.325 -9.175 -4.657 1.00 0.00 C ATOM 64 O PHE A 7 3.217 -9.205 -4.125 1.00 0.00 O ATOM 65 CB PHE A 7 6.588 -9.216 -3.527 1.00 0.00 C ATOM 66 CG PHE A 7 6.221 -8.534 -2.231 1.00 0.00 C ATOM 67 CD1 PHE A 7 5.614 -7.263 -2.219 1.00 0.00 C ATOM 68 CD2 PHE A 7 6.492 -9.189 -1.021 1.00 0.00 C ATOM 69 CE1 PHE A 7 5.285 -6.660 -0.994 1.00 0.00 C ATOM 70 CE2 PHE A 7 6.177 -8.584 0.203 1.00 0.00 C ATOM 71 CZ PHE A 7 5.571 -7.323 0.213 1.00 0.00 C ATOM 0 H PHE A 7 7.019 -10.732 -5.341 1.00 0.00 H new ATOM 0 HA PHE A 7 5.043 -10.699 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.453 -9.856 -3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.890 -8.459 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.402 -6.754 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.947 -10.168 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 7 4.813 -5.689 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.400 -9.087 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.321 -6.856 1.154 1.00 0.00 H new ATOM 80 N ALA A 8 4.558 -8.459 -5.761 1.00 0.00 N ATOM 81 CA ALA A 8 3.532 -7.684 -6.445 1.00 0.00 C ATOM 82 C ALA A 8 2.427 -8.546 -7.075 1.00 0.00 C ATOM 83 O ALA A 8 1.313 -8.055 -7.183 1.00 0.00 O ATOM 84 CB ALA A 8 4.182 -6.738 -7.460 1.00 0.00 C ATOM 0 H ALA A 8 5.475 -8.404 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 8 3.019 -7.088 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.408 -6.162 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.860 -6.059 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.741 -7.319 -8.193 1.00 0.00 H new ATOM 90 N GLN A 9 2.657 -9.813 -7.434 1.00 0.00 N ATOM 91 CA GLN A 9 1.603 -10.731 -7.892 1.00 0.00 C ATOM 92 C GLN A 9 0.625 -11.087 -6.768 1.00 0.00 C ATOM 93 O GLN A 9 -0.577 -10.899 -6.942 1.00 0.00 O ATOM 94 CB GLN A 9 2.215 -12.007 -8.499 1.00 0.00 C ATOM 95 CG GLN A 9 2.379 -11.895 -10.019 1.00 0.00 C ATOM 96 CD GLN A 9 3.324 -12.959 -10.578 1.00 0.00 C ATOM 97 OE1 GLN A 9 4.531 -12.934 -10.376 1.00 0.00 O ATOM 98 NE2 GLN A 9 2.832 -13.940 -11.306 1.00 0.00 N ATOM 0 H GLN A 9 3.585 -10.236 -7.416 1.00 0.00 H new ATOM 0 HA GLN A 9 1.038 -10.212 -8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.186 -12.197 -8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.580 -12.861 -8.264 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.404 -11.991 -10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.760 -10.905 -10.270 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.830 -13.985 -11.490 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.453 -14.654 -11.686 1.00 0.00 H new ATOM 105 N ALA A 10 1.101 -11.548 -5.606 1.00 0.00 N ATOM 106 CA ALA A 10 0.216 -11.829 -4.471 1.00 0.00 C ATOM 107 C ALA A 10 -0.393 -10.549 -3.890 1.00 0.00 C ATOM 108 O ALA A 10 -1.590 -10.508 -3.599 1.00 0.00 O ATOM 109 CB ALA A 10 0.994 -12.560 -3.389 1.00 0.00 C ATOM 0 H ALA A 10 2.088 -11.733 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.602 -12.452 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.336 -12.769 -2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.380 -13.498 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.825 -11.939 -3.056 1.00 0.00 H new ATOM 115 N ALA A 11 0.410 -9.484 -3.773 1.00 0.00 N ATOM 116 CA ALA A 11 -0.085 -8.195 -3.325 1.00 0.00 C ATOM 117 C ALA A 11 -1.163 -7.668 -4.275 1.00 0.00 C ATOM 118 O ALA A 11 -2.258 -7.390 -3.814 1.00 0.00 O ATOM 119 CB ALA A 11 1.060 -7.196 -3.131 1.00 0.00 C ATOM 0 H ALA A 11 1.408 -9.499 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.552 -8.327 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.656 -6.241 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.755 -7.579 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.585 -7.056 -4.076 1.00 0.00 H new ATOM 125 N SER A 12 -0.919 -7.614 -5.589 1.00 0.00 N ATOM 126 CA SER A 12 -1.929 -7.255 -6.595 1.00 0.00 C ATOM 127 C SER A 12 -3.149 -8.178 -6.544 1.00 0.00 C ATOM 128 O SER A 12 -4.267 -7.684 -6.602 1.00 0.00 O ATOM 129 CB SER A 12 -1.335 -7.255 -8.008 1.00 0.00 C ATOM 130 OG SER A 12 -2.288 -6.839 -8.973 1.00 0.00 O ATOM 0 H SER A 12 -0.004 -7.821 -5.990 1.00 0.00 H new ATOM 0 HA SER A 12 -2.260 -6.245 -6.352 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.470 -6.592 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.979 -8.255 -8.254 1.00 0.00 H new ATOM 0 HG SER A 12 -1.878 -6.848 -9.863 1.00 0.00 H new ATOM 135 N SER A 13 -2.977 -9.493 -6.355 1.00 0.00 N ATOM 136 CA SER A 13 -4.097 -10.435 -6.217 1.00 0.00 C ATOM 137 C SER A 13 -5.037 -10.041 -5.070 1.00 0.00 C ATOM 138 O SER A 13 -6.247 -9.918 -5.274 1.00 0.00 O ATOM 139 CB SER A 13 -3.581 -11.867 -6.018 1.00 0.00 C ATOM 140 OG SER A 13 -4.634 -12.798 -6.209 1.00 0.00 O ATOM 0 H SER A 13 -2.059 -9.934 -6.293 1.00 0.00 H new ATOM 0 HA SER A 13 -4.671 -10.393 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.773 -12.071 -6.721 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.167 -11.976 -5.016 1.00 0.00 H new ATOM 0 HG SER A 13 -4.293 -13.708 -6.081 1.00 0.00 H new ATOM 145 N SER A 14 -4.486 -9.749 -3.887 1.00 0.00 N ATOM 146 CA SER A 14 -5.252 -9.265 -2.732 1.00 0.00 C ATOM 147 C SER A 14 -5.741 -7.820 -2.890 1.00 0.00 C ATOM 148 O SER A 14 -6.908 -7.559 -2.634 1.00 0.00 O ATOM 149 CB SER A 14 -4.419 -9.412 -1.457 1.00 0.00 C ATOM 150 OG SER A 14 -4.356 -10.785 -1.106 1.00 0.00 O ATOM 0 H SER A 14 -3.487 -9.843 -3.702 1.00 0.00 H new ATOM 0 HA SER A 14 -6.147 -9.883 -2.664 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.416 -9.017 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.865 -8.836 -0.647 1.00 0.00 H new ATOM 0 HG SER A 14 -3.419 -11.066 -1.051 1.00 0.00 H new ATOM 155 N LEU A 15 -4.909 -6.880 -3.351 1.00 0.00 N ATOM 156 CA LEU A 15 -5.242 -5.460 -3.557 1.00 0.00 C ATOM 157 C LEU A 15 -6.352 -5.264 -4.613 1.00 0.00 C ATOM 158 O LEU A 15 -7.255 -4.457 -4.401 1.00 0.00 O ATOM 159 CB LEU A 15 -3.966 -4.682 -3.955 1.00 0.00 C ATOM 160 CG LEU A 15 -2.888 -4.531 -2.855 1.00 0.00 C ATOM 161 CD1 LEU A 15 -1.522 -4.154 -3.439 1.00 0.00 C ATOM 162 CD2 LEU A 15 -3.232 -3.438 -1.852 1.00 0.00 C ATOM 0 H LEU A 15 -3.944 -7.093 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.632 -5.068 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.514 -5.181 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.261 -3.686 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.853 -5.505 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.795 -4.058 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.196 -4.930 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.602 -3.205 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.445 -3.372 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.320 -2.483 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.178 -3.675 -1.366 1.00 0.00 H new ATOM 173 N ALA A 16 -6.337 -6.030 -5.711 1.00 0.00 N ATOM 174 CA ALA A 16 -7.388 -6.053 -6.737 1.00 0.00 C ATOM 175 C ALA A 16 -8.713 -6.657 -6.221 1.00 0.00 C ATOM 176 O ALA A 16 -9.794 -6.234 -6.639 1.00 0.00 O ATOM 177 CB ALA A 16 -6.878 -6.841 -7.953 1.00 0.00 C ATOM 0 H ALA A 16 -5.570 -6.670 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.608 -5.023 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.651 -6.865 -8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.985 -6.359 -8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.636 -7.860 -7.651 1.00 0.00 H new ATOM 183 N THR A 17 -8.637 -7.617 -5.294 1.00 0.00 N ATOM 184 CA THR A 17 -9.784 -8.170 -4.545 1.00 0.00 C ATOM 185 C THR A 17 -10.278 -7.216 -3.447 1.00 0.00 C ATOM 186 O THR A 17 -11.464 -7.210 -3.111 1.00 0.00 O ATOM 187 CB THR A 17 -9.387 -9.553 -3.978 1.00 0.00 C ATOM 188 OG1 THR A 17 -9.793 -10.540 -4.905 1.00 0.00 O ATOM 189 CG2 THR A 17 -9.959 -9.951 -2.616 1.00 0.00 C ATOM 0 H THR A 17 -7.751 -8.048 -5.032 1.00 0.00 H new ATOM 0 HA THR A 17 -10.627 -8.290 -5.226 1.00 0.00 H new ATOM 0 HB THR A 17 -8.311 -9.478 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.549 -11.427 -4.566 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.597 -10.943 -2.345 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.641 -9.230 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.048 -9.964 -2.668 1.00 0.00 H new ATOM 197 N SER A 18 -9.390 -6.389 -2.894 1.00 0.00 N ATOM 198 CA SER A 18 -9.650 -5.497 -1.766 1.00 0.00 C ATOM 199 C SER A 18 -10.232 -4.164 -2.235 1.00 0.00 C ATOM 200 O SER A 18 -9.550 -3.142 -2.310 1.00 0.00 O ATOM 201 CB SER A 18 -8.389 -5.312 -0.915 1.00 0.00 C ATOM 202 OG SER A 18 -8.767 -4.802 0.351 1.00 0.00 O ATOM 0 H SER A 18 -8.431 -6.320 -3.235 1.00 0.00 H new ATOM 0 HA SER A 18 -10.403 -5.962 -1.130 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.868 -6.263 -0.799 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.698 -4.628 -1.407 1.00 0.00 H new ATOM 0 HG SER A 18 -7.969 -4.680 0.906 1.00 0.00 H new ATOM 207 N SER A 19 -11.527 -4.166 -2.560 1.00 0.00 N ATOM 208 CA SER A 19 -12.275 -2.970 -2.970 1.00 0.00 C ATOM 209 C SER A 19 -12.164 -1.806 -1.976 1.00 0.00 C ATOM 210 O SER A 19 -12.244 -0.654 -2.388 1.00 0.00 O ATOM 211 CB SER A 19 -13.755 -3.303 -3.189 1.00 0.00 C ATOM 212 OG SER A 19 -13.896 -4.409 -4.069 1.00 0.00 O ATOM 0 H SER A 19 -12.097 -5.012 -2.546 1.00 0.00 H new ATOM 0 HA SER A 19 -11.817 -2.645 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.227 -3.530 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.271 -2.436 -3.601 1.00 0.00 H new ATOM 0 HG SER A 19 -14.847 -4.608 -4.195 1.00 0.00 H new ATOM 217 N ALA A 20 -11.913 -2.070 -0.686 1.00 0.00 N ATOM 218 CA ALA A 20 -11.613 -1.045 0.317 1.00 0.00 C ATOM 219 C ALA A 20 -10.352 -0.214 -0.007 1.00 0.00 C ATOM 220 O ALA A 20 -10.310 0.973 0.317 1.00 0.00 O ATOM 221 CB ALA A 20 -11.494 -1.722 1.686 1.00 0.00 C ATOM 0 H ALA A 20 -11.913 -3.017 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.433 -0.327 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.271 -0.972 2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.434 -2.216 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.692 -2.460 1.658 1.00 0.00 H new ATOM 227 N ILE A 21 -9.357 -0.800 -0.682 1.00 0.00 N ATOM 228 CA ILE A 21 -8.152 -0.117 -1.177 1.00 0.00 C ATOM 229 C ILE A 21 -8.486 0.693 -2.432 1.00 0.00 C ATOM 230 O ILE A 21 -8.232 1.897 -2.490 1.00 0.00 O ATOM 231 CB ILE A 21 -7.042 -1.142 -1.509 1.00 0.00 C ATOM 232 CG1 ILE A 21 -6.709 -2.083 -0.340 1.00 0.00 C ATOM 233 CG2 ILE A 21 -5.783 -0.414 -1.985 1.00 0.00 C ATOM 234 CD1 ILE A 21 -6.032 -1.395 0.832 1.00 0.00 C ATOM 0 H ILE A 21 -9.367 -1.795 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.794 0.553 -0.395 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.429 -1.775 -2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.629 -2.552 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.062 -2.882 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.007 -1.143 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.014 0.166 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.430 0.254 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.830 -2.125 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.094 -0.950 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.685 -0.615 1.223 1.00 0.00 H new ATOM 245 N SER A 22 -9.113 0.047 -3.421 1.00 0.00 N ATOM 246 CA SER A 22 -9.514 0.672 -4.687 1.00 0.00 C ATOM 247 C SER A 22 -10.422 1.881 -4.468 1.00 0.00 C ATOM 248 O SER A 22 -10.213 2.932 -5.076 1.00 0.00 O ATOM 249 CB SER A 22 -10.230 -0.349 -5.578 1.00 0.00 C ATOM 250 OG SER A 22 -9.443 -1.519 -5.726 1.00 0.00 O ATOM 0 H SER A 22 -9.360 -0.941 -3.364 1.00 0.00 H new ATOM 0 HA SER A 22 -8.604 1.019 -5.177 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.196 -0.606 -5.143 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.428 0.089 -6.556 1.00 0.00 H new ATOM 0 HG SER A 22 -9.915 -2.161 -6.296 1.00 0.00 H new ATOM 255 N ARG A 23 -11.397 1.764 -3.556 1.00 0.00 N ATOM 256 CA ARG A 23 -12.285 2.864 -3.166 1.00 0.00 C ATOM 257 C ARG A 23 -11.565 3.926 -2.346 1.00 0.00 C ATOM 258 O ARG A 23 -11.865 5.094 -2.539 1.00 0.00 O ATOM 259 CB ARG A 23 -13.574 2.333 -2.500 1.00 0.00 C ATOM 260 CG ARG A 23 -13.544 2.115 -0.977 1.00 0.00 C ATOM 261 CD ARG A 23 -13.682 3.420 -0.166 1.00 0.00 C ATOM 262 NE ARG A 23 -14.641 3.290 0.945 1.00 0.00 N ATOM 263 CZ ARG A 23 -14.423 2.773 2.140 1.00 0.00 C ATOM 264 NH1 ARG A 23 -13.277 2.252 2.477 1.00 0.00 N ATOM 265 NH2 ARG A 23 -15.374 2.766 3.026 1.00 0.00 N ATOM 0 H ARG A 23 -11.592 0.892 -3.064 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.600 3.376 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.381 3.030 -2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.831 1.384 -2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.351 1.437 -0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.608 1.625 -0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.707 3.704 0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.003 4.224 -0.828 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.583 3.640 0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.508 2.234 1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.149 1.863 3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.287 3.160 2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.207 2.367 3.950 1.00 0.00 H new ATOM 276 N ALA A 24 -10.615 3.570 -1.473 1.00 0.00 N ATOM 277 CA ALA A 24 -9.829 4.557 -0.727 1.00 0.00 C ATOM 278 C ALA A 24 -8.990 5.442 -1.668 1.00 0.00 C ATOM 279 O ALA A 24 -8.930 6.655 -1.470 1.00 0.00 O ATOM 280 CB ALA A 24 -8.967 3.857 0.333 1.00 0.00 C ATOM 0 H ALA A 24 -10.372 2.601 -1.266 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.516 5.226 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.388 4.601 0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.611 3.316 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.289 3.156 -0.154 1.00 0.00 H new ATOM 286 N PHE A 25 -8.435 4.873 -2.745 1.00 0.00 N ATOM 287 CA PHE A 25 -7.830 5.654 -3.828 1.00 0.00 C ATOM 288 C PHE A 25 -8.875 6.457 -4.625 1.00 0.00 C ATOM 289 O PHE A 25 -8.711 7.663 -4.782 1.00 0.00 O ATOM 290 CB PHE A 25 -7.006 4.754 -4.758 1.00 0.00 C ATOM 291 CG PHE A 25 -5.816 4.082 -4.102 1.00 0.00 C ATOM 292 CD1 PHE A 25 -4.978 4.798 -3.225 1.00 0.00 C ATOM 293 CD2 PHE A 25 -5.547 2.725 -4.366 1.00 0.00 C ATOM 294 CE1 PHE A 25 -3.957 4.140 -2.525 1.00 0.00 C ATOM 295 CE2 PHE A 25 -4.492 2.077 -3.701 1.00 0.00 C ATOM 296 CZ PHE A 25 -3.746 2.768 -2.733 1.00 0.00 C ATOM 0 H PHE A 25 -8.393 3.864 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.160 6.377 -3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.660 3.984 -5.168 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.651 5.351 -5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.123 5.860 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.151 2.183 -5.079 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.336 4.686 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.256 1.049 -3.934 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.007 2.242 -2.146 1.00 0.00 H new ATOM 305 N ALA A 26 -9.977 5.855 -5.084 1.00 0.00 N ATOM 306 CA ALA A 26 -11.029 6.578 -5.818 1.00 0.00 C ATOM 307 C ALA A 26 -11.735 7.680 -4.991 1.00 0.00 C ATOM 308 O ALA A 26 -12.351 8.585 -5.556 1.00 0.00 O ATOM 309 CB ALA A 26 -12.032 5.566 -6.375 1.00 0.00 C ATOM 0 H ALA A 26 -10.167 4.861 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.545 7.115 -6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.815 6.092 -6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.520 4.879 -7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.477 5.005 -5.553 1.00 0.00 H new ATOM 315 N SER A 27 -11.624 7.628 -3.658 1.00 0.00 N ATOM 316 CA SER A 27 -12.068 8.659 -2.714 1.00 0.00 C ATOM 317 C SER A 27 -11.325 9.994 -2.882 1.00 0.00 C ATOM 318 O SER A 27 -11.849 11.047 -2.510 1.00 0.00 O ATOM 319 CB SER A 27 -11.865 8.153 -1.284 1.00 0.00 C ATOM 320 OG SER A 27 -12.819 8.729 -0.426 1.00 0.00 O ATOM 0 H SER A 27 -11.202 6.828 -3.187 1.00 0.00 H new ATOM 0 HA SER A 27 -13.121 8.848 -2.922 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.951 7.067 -1.259 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.860 8.401 -0.942 1.00 0.00 H new ATOM 0 HG SER A 27 -12.681 8.398 0.486 1.00 0.00 H new ATOM 325 N VAL A 28 -10.111 9.973 -3.454 1.00 0.00 N ATOM 326 CA VAL A 28 -9.316 11.179 -3.734 1.00 0.00 C ATOM 327 C VAL A 28 -9.617 11.756 -5.123 1.00 0.00 C ATOM 328 O VAL A 28 -10.090 11.054 -6.019 1.00 0.00 O ATOM 329 CB VAL A 28 -7.799 10.958 -3.539 1.00 0.00 C ATOM 330 CG1 VAL A 28 -7.471 10.020 -2.370 1.00 0.00 C ATOM 331 CG2 VAL A 28 -6.993 10.544 -4.775 1.00 0.00 C ATOM 0 H VAL A 28 -9.649 9.109 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.624 11.917 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.468 11.970 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.390 9.907 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.864 10.441 -1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.926 9.045 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.945 10.422 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.379 9.601 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.081 11.314 -5.541 1.00 0.00 H new ATOM 341 N SER A 29 -9.240 13.021 -5.318 1.00 0.00 N ATOM 342 CA SER A 29 -9.310 13.734 -6.607 1.00 0.00 C ATOM 343 C SER A 29 -7.961 14.317 -7.065 1.00 0.00 C ATOM 344 O SER A 29 -7.900 14.983 -8.100 1.00 0.00 O ATOM 345 CB SER A 29 -10.380 14.832 -6.527 1.00 0.00 C ATOM 346 OG SER A 29 -11.675 14.275 -6.698 1.00 0.00 O ATOM 0 H SER A 29 -8.866 13.599 -4.566 1.00 0.00 H new ATOM 0 HA SER A 29 -9.583 12.999 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.319 15.338 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.196 15.584 -7.294 1.00 0.00 H new ATOM 0 HG SER A 29 -12.347 14.986 -6.643 1.00 0.00 H new ATOM 351 N SER A 30 -6.870 14.063 -6.331 1.00 0.00 N ATOM 352 CA SER A 30 -5.522 14.555 -6.654 1.00 0.00 C ATOM 353 C SER A 30 -4.434 13.578 -6.206 1.00 0.00 C ATOM 354 O SER A 30 -4.589 12.887 -5.196 1.00 0.00 O ATOM 355 CB SER A 30 -5.294 15.910 -5.978 1.00 0.00 C ATOM 356 OG SER A 30 -4.281 16.612 -6.675 1.00 0.00 O ATOM 0 H SER A 30 -6.899 13.500 -5.481 1.00 0.00 H new ATOM 0 HA SER A 30 -5.458 14.655 -7.737 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.218 16.488 -5.975 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.004 15.767 -4.937 1.00 0.00 H new ATOM 0 HG SER A 30 -4.132 17.481 -6.248 1.00 0.00 H new ATOM 361 N ALA A 31 -3.312 13.531 -6.929 1.00 0.00 N ATOM 362 CA ALA A 31 -2.216 12.610 -6.625 1.00 0.00 C ATOM 363 C ALA A 31 -1.566 12.930 -5.270 1.00 0.00 C ATOM 364 O ALA A 31 -1.105 12.023 -4.586 1.00 0.00 O ATOM 365 CB ALA A 31 -1.199 12.640 -7.770 1.00 0.00 C ATOM 0 H ALA A 31 -3.139 14.128 -7.738 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.615 11.599 -6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.381 11.955 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.685 12.336 -8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.806 13.651 -7.881 1.00 0.00 H new ATOM 371 N SER A 32 -1.607 14.199 -4.847 1.00 0.00 N ATOM 372 CA SER A 32 -1.194 14.690 -3.524 1.00 0.00 C ATOM 373 C SER A 32 -2.070 14.155 -2.379 1.00 0.00 C ATOM 374 O SER A 32 -1.604 13.988 -1.251 1.00 0.00 O ATOM 375 CB SER A 32 -1.223 16.233 -3.479 1.00 0.00 C ATOM 376 OG SER A 32 -1.368 16.828 -4.764 1.00 0.00 O ATOM 0 H SER A 32 -1.946 14.950 -5.448 1.00 0.00 H new ATOM 0 HA SER A 32 -0.180 14.319 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.046 16.556 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.303 16.594 -3.020 1.00 0.00 H new ATOM 0 HG SER A 32 -2.314 16.827 -5.020 1.00 0.00 H new ATOM 381 N ALA A 33 -3.351 13.878 -2.649 1.00 0.00 N ATOM 382 CA ALA A 33 -4.275 13.305 -1.672 1.00 0.00 C ATOM 383 C ALA A 33 -4.114 11.781 -1.581 1.00 0.00 C ATOM 384 O ALA A 33 -4.055 11.248 -0.473 1.00 0.00 O ATOM 385 CB ALA A 33 -5.701 13.726 -2.040 1.00 0.00 C ATOM 0 H ALA A 33 -3.776 14.048 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.048 13.687 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.402 13.305 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.774 14.813 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.943 13.359 -3.038 1.00 0.00 H new ATOM 391 N ALA A 34 -3.950 11.076 -2.711 1.00 0.00 N ATOM 392 CA ALA A 34 -3.579 9.660 -2.679 1.00 0.00 C ATOM 393 C ALA A 34 -2.183 9.457 -2.080 1.00 0.00 C ATOM 394 O ALA A 34 -2.003 8.503 -1.332 1.00 0.00 O ATOM 395 CB ALA A 34 -3.687 9.015 -4.065 1.00 0.00 C ATOM 0 H ALA A 34 -4.068 11.462 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.293 9.157 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.404 7.964 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.713 9.093 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.021 9.529 -4.758 1.00 0.00 H new ATOM 401 N SER A 35 -1.200 10.320 -2.363 1.00 0.00 N ATOM 402 CA SER A 35 0.151 10.183 -1.803 1.00 0.00 C ATOM 403 C SER A 35 0.132 10.366 -0.288 1.00 0.00 C ATOM 404 O SER A 35 0.718 9.553 0.420 1.00 0.00 O ATOM 405 CB SER A 35 1.162 11.130 -2.469 1.00 0.00 C ATOM 406 OG SER A 35 0.956 12.479 -2.097 1.00 0.00 O ATOM 0 H SER A 35 -1.315 11.124 -2.979 1.00 0.00 H new ATOM 0 HA SER A 35 0.487 9.169 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.173 10.830 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.085 11.038 -3.552 1.00 0.00 H new ATOM 0 HG SER A 35 0.006 12.624 -1.904 1.00 0.00 H new ATOM 411 N SER A 36 -0.624 11.347 0.225 1.00 0.00 N ATOM 412 CA SER A 36 -0.877 11.512 1.660 1.00 0.00 C ATOM 413 C SER A 36 -1.603 10.309 2.272 1.00 0.00 C ATOM 414 O SER A 36 -1.209 9.849 3.343 1.00 0.00 O ATOM 415 CB SER A 36 -1.672 12.795 1.917 1.00 0.00 C ATOM 416 OG SER A 36 -1.646 13.112 3.300 1.00 0.00 O ATOM 0 H SER A 36 -1.080 12.054 -0.351 1.00 0.00 H new ATOM 0 HA SER A 36 0.095 11.582 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.249 13.617 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.702 12.668 1.584 1.00 0.00 H new ATOM 0 HG SER A 36 -2.155 13.935 3.457 1.00 0.00 H new ATOM 421 N LEU A 37 -2.608 9.734 1.592 1.00 0.00 N ATOM 422 CA LEU A 37 -3.275 8.509 2.053 1.00 0.00 C ATOM 423 C LEU A 37 -2.317 7.320 2.098 1.00 0.00 C ATOM 424 O LEU A 37 -2.189 6.693 3.143 1.00 0.00 O ATOM 425 CB LEU A 37 -4.493 8.163 1.173 1.00 0.00 C ATOM 426 CG LEU A 37 -5.839 8.378 1.881 1.00 0.00 C ATOM 427 CD1 LEU A 37 -6.957 8.108 0.876 1.00 0.00 C ATOM 428 CD2 LEU A 37 -6.026 7.433 3.076 1.00 0.00 C ATOM 0 H LEU A 37 -2.977 10.102 0.715 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.620 8.709 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.464 8.773 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.419 7.122 0.857 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.864 9.402 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.923 8.255 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.863 8.794 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.883 7.082 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.992 7.624 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.987 6.399 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.232 7.604 3.803 1.00 0.00 H new ATOM 439 N ALA A 38 -1.621 7.039 0.997 1.00 0.00 N ATOM 440 CA ALA A 38 -0.629 5.979 0.873 1.00 0.00 C ATOM 441 C ALA A 38 0.509 6.127 1.892 1.00 0.00 C ATOM 442 O ALA A 38 0.981 5.127 2.421 1.00 0.00 O ATOM 443 CB ALA A 38 -0.118 5.956 -0.566 1.00 0.00 C ATOM 0 H ALA A 38 -1.740 7.567 0.133 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.097 5.021 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.626 5.167 -0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.950 5.767 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.335 6.918 -0.807 1.00 0.00 H new ATOM 449 N TYR A 39 0.896 7.357 2.236 1.00 0.00 N ATOM 450 CA TYR A 39 1.796 7.648 3.351 1.00 0.00 C ATOM 451 C TYR A 39 1.133 7.305 4.700 1.00 0.00 C ATOM 452 O TYR A 39 1.673 6.505 5.454 1.00 0.00 O ATOM 453 CB TYR A 39 2.232 9.121 3.275 1.00 0.00 C ATOM 454 CG TYR A 39 3.515 9.462 4.004 1.00 0.00 C ATOM 455 CD1 TYR A 39 3.510 9.679 5.394 1.00 0.00 C ATOM 456 CD2 TYR A 39 4.715 9.591 3.277 1.00 0.00 C ATOM 457 CE1 TYR A 39 4.709 10.010 6.056 1.00 0.00 C ATOM 458 CE2 TYR A 39 5.916 9.916 3.935 1.00 0.00 C ATOM 459 CZ TYR A 39 5.913 10.125 5.331 1.00 0.00 C ATOM 460 OH TYR A 39 7.061 10.446 5.985 1.00 0.00 O ATOM 0 H TYR A 39 0.587 8.192 1.738 1.00 0.00 H new ATOM 0 HA TYR A 39 2.685 7.022 3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.348 9.393 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.430 9.740 3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.590 9.592 5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.713 9.439 2.208 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.706 10.176 7.123 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.835 10.005 3.375 1.00 0.00 H new ATOM 0 HH TYR A 39 7.020 10.108 6.904 1.00 0.00 H new ATOM 469 N ASN A 40 -0.062 7.828 4.993 1.00 0.00 N ATOM 470 CA ASN A 40 -0.791 7.636 6.255 1.00 0.00 C ATOM 471 C ASN A 40 -1.095 6.155 6.570 1.00 0.00 C ATOM 472 O ASN A 40 -0.810 5.680 7.668 1.00 0.00 O ATOM 473 CB ASN A 40 -2.082 8.478 6.189 1.00 0.00 C ATOM 474 CG ASN A 40 -2.797 8.575 7.527 1.00 0.00 C ATOM 475 OD1 ASN A 40 -2.208 8.867 8.557 1.00 0.00 O ATOM 476 ND2 ASN A 40 -4.093 8.357 7.561 1.00 0.00 N ATOM 0 H ASN A 40 -0.569 8.419 4.334 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.157 7.969 7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.837 9.481 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.757 8.041 5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.600 8.432 8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.592 8.113 6.705 1.00 0.00 H new ATOM 482 N ILE A 41 -1.620 5.408 5.592 1.00 0.00 N ATOM 483 CA ILE A 41 -1.818 3.948 5.664 1.00 0.00 C ATOM 484 C ILE A 41 -0.482 3.193 5.581 1.00 0.00 C ATOM 485 O ILE A 41 -0.351 2.090 6.106 1.00 0.00 O ATOM 486 CB ILE A 41 -2.804 3.463 4.570 1.00 0.00 C ATOM 487 CG1 ILE A 41 -2.170 3.435 3.164 1.00 0.00 C ATOM 488 CG2 ILE A 41 -4.129 4.240 4.672 1.00 0.00 C ATOM 489 CD1 ILE A 41 -3.153 3.235 2.004 1.00 0.00 C ATOM 0 H ILE A 41 -1.928 5.808 4.705 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.260 3.725 6.635 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.048 2.416 4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.634 4.371 3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.430 2.635 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.815 3.892 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.573 4.074 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.938 5.304 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.607 3.230 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.672 2.285 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.880 4.048 1.999 1.00 0.00 H new ATOM 500 N GLY A 42 0.521 3.812 4.953 1.00 0.00 N ATOM 501 CA GLY A 42 1.906 3.366 4.893 1.00 0.00 C ATOM 502 C GLY A 42 2.553 3.277 6.265 1.00 0.00 C ATOM 503 O GLY A 42 3.200 2.273 6.533 1.00 0.00 O ATOM 0 H GLY A 42 0.375 4.685 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.948 2.389 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.478 4.053 4.270 1.00 0.00 H new ATOM 507 N LEU A 43 2.325 4.246 7.163 1.00 0.00 N ATOM 508 CA LEU A 43 2.735 4.123 8.566 1.00 0.00 C ATOM 509 C LEU A 43 2.104 2.886 9.213 1.00 0.00 C ATOM 510 O LEU A 43 2.827 2.101 9.813 1.00 0.00 O ATOM 511 CB LEU A 43 2.395 5.374 9.406 1.00 0.00 C ATOM 512 CG LEU A 43 3.303 6.614 9.297 1.00 0.00 C ATOM 513 CD1 LEU A 43 4.793 6.290 9.372 1.00 0.00 C ATOM 514 CD2 LEU A 43 3.073 7.412 8.027 1.00 0.00 C ATOM 0 H LEU A 43 1.858 5.125 6.940 1.00 0.00 H new ATOM 0 HA LEU A 43 3.820 4.020 8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.383 5.682 9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.374 5.072 10.453 1.00 0.00 H new ATOM 0 HG LEU A 43 3.018 7.209 10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.370 7.211 9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.013 5.809 10.325 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.061 5.619 8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.743 8.272 8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.271 6.781 7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.039 7.757 7.996 1.00 0.00 H new ATOM 525 N SER A 44 0.796 2.662 9.066 1.00 0.00 N ATOM 526 CA SER A 44 0.126 1.483 9.639 1.00 0.00 C ATOM 527 C SER A 44 0.645 0.156 9.065 1.00 0.00 C ATOM 528 O SER A 44 0.898 -0.778 9.826 1.00 0.00 O ATOM 529 CB SER A 44 -1.388 1.588 9.449 1.00 0.00 C ATOM 530 OG SER A 44 -1.908 2.661 10.217 1.00 0.00 O ATOM 0 H SER A 44 0.173 3.284 8.552 1.00 0.00 H new ATOM 0 HA SER A 44 0.362 1.476 10.703 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.619 1.741 8.395 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.864 0.654 9.747 1.00 0.00 H new ATOM 0 HG SER A 44 -2.877 2.718 10.085 1.00 0.00 H new ATOM 535 N ALA A 45 0.888 0.072 7.750 1.00 0.00 N ATOM 536 CA ALA A 45 1.471 -1.114 7.119 1.00 0.00 C ATOM 537 C ALA A 45 2.924 -1.341 7.571 1.00 0.00 C ATOM 538 O ALA A 45 3.292 -2.444 7.973 1.00 0.00 O ATOM 539 CB ALA A 45 1.374 -0.975 5.595 1.00 0.00 C ATOM 0 H ALA A 45 0.685 0.827 7.095 1.00 0.00 H new ATOM 0 HA ALA A 45 0.907 -1.993 7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.807 -1.856 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.328 -0.884 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.918 -0.086 5.275 1.00 0.00 H new ATOM 545 N ALA A 46 3.740 -0.286 7.568 1.00 0.00 N ATOM 546 CA ALA A 46 5.125 -0.305 8.022 1.00 0.00 C ATOM 547 C ALA A 46 5.243 -0.685 9.512 1.00 0.00 C ATOM 548 O ALA A 46 6.081 -1.509 9.877 1.00 0.00 O ATOM 549 CB ALA A 46 5.737 1.066 7.712 1.00 0.00 C ATOM 0 H ALA A 46 3.443 0.632 7.239 1.00 0.00 H new ATOM 0 HA ALA A 46 5.681 -1.079 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.776 1.083 8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.693 1.250 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.178 1.841 8.236 1.00 0.00 H new ATOM 555 N ARG A 47 4.338 -0.185 10.362 1.00 0.00 N ATOM 556 CA ARG A 47 4.212 -0.559 11.778 1.00 0.00 C ATOM 557 C ARG A 47 3.862 -2.038 11.958 1.00 0.00 C ATOM 558 O ARG A 47 4.542 -2.717 12.726 1.00 0.00 O ATOM 559 CB ARG A 47 3.174 0.352 12.461 1.00 0.00 C ATOM 560 CG ARG A 47 3.726 1.748 12.820 1.00 0.00 C ATOM 561 CD ARG A 47 4.726 1.762 13.987 1.00 0.00 C ATOM 562 NE ARG A 47 4.093 1.371 15.265 1.00 0.00 N ATOM 563 CZ ARG A 47 4.040 0.168 15.812 1.00 0.00 C ATOM 564 NH1 ARG A 47 4.644 -0.866 15.298 1.00 0.00 N ATOM 565 NH2 ARG A 47 3.350 -0.029 16.898 1.00 0.00 N ATOM 0 H ARG A 47 3.651 0.513 10.076 1.00 0.00 H new ATOM 0 HA ARG A 47 5.181 -0.416 12.256 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.314 0.468 11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.817 -0.134 13.369 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.210 2.170 11.939 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.890 2.402 13.068 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.549 1.082 13.767 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.154 2.759 14.085 1.00 0.00 H new ATOM 0 HE ARG A 47 3.642 2.121 15.789 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.185 -0.766 14.439 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.576 -1.776 15.754 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.847 0.746 17.331 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.312 -0.958 17.316 1.00 0.00 H new ATOM 576 N SER A 48 2.881 -2.559 11.217 1.00 0.00 N ATOM 577 CA SER A 48 2.530 -3.993 11.213 1.00 0.00 C ATOM 578 C SER A 48 3.672 -4.904 10.743 1.00 0.00 C ATOM 579 O SER A 48 3.790 -6.037 11.211 1.00 0.00 O ATOM 580 CB SER A 48 1.303 -4.243 10.331 1.00 0.00 C ATOM 581 OG SER A 48 0.139 -3.736 10.965 1.00 0.00 O ATOM 0 H SER A 48 2.299 -1.998 10.595 1.00 0.00 H new ATOM 0 HA SER A 48 2.316 -4.246 12.251 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.438 -3.763 9.362 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.190 -5.311 10.145 1.00 0.00 H new ATOM 0 HG SER A 48 0.086 -2.767 10.826 1.00 0.00 H new ATOM 586 N LEU A 49 4.540 -4.407 9.856 1.00 0.00 N ATOM 587 CA LEU A 49 5.712 -5.112 9.322 1.00 0.00 C ATOM 588 C LEU A 49 7.021 -4.776 10.076 1.00 0.00 C ATOM 589 O LEU A 49 8.097 -5.220 9.670 1.00 0.00 O ATOM 590 CB LEU A 49 5.802 -4.810 7.813 1.00 0.00 C ATOM 591 CG LEU A 49 4.590 -5.307 6.997 1.00 0.00 C ATOM 592 CD1 LEU A 49 4.702 -4.783 5.572 1.00 0.00 C ATOM 593 CD2 LEU A 49 4.492 -6.832 6.930 1.00 0.00 C ATOM 0 H LEU A 49 4.442 -3.466 9.475 1.00 0.00 H new ATOM 0 HA LEU A 49 5.585 -6.184 9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.903 -3.734 7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.707 -5.269 7.415 1.00 0.00 H new ATOM 0 HG LEU A 49 3.699 -4.936 7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.849 -5.130 4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.714 -3.693 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.624 -5.150 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.619 -7.115 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.390 -7.234 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.397 -7.235 7.938 1.00 0.00 H new ATOM 604 N GLY A 50 6.941 -4.021 11.181 1.00 0.00 N ATOM 605 CA GLY A 50 8.066 -3.629 12.043 1.00 0.00 C ATOM 606 C GLY A 50 9.232 -2.929 11.326 1.00 0.00 C ATOM 607 O GLY A 50 10.393 -3.140 11.683 1.00 0.00 O ATOM 0 H GLY A 50 6.051 -3.650 11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.691 -2.966 12.823 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.449 -4.520 12.539 1.00 0.00 H new ATOM 611 N ILE A 51 8.937 -2.137 10.293 1.00 0.00 N ATOM 612 CA ILE A 51 9.919 -1.430 9.455 1.00 0.00 C ATOM 613 C ILE A 51 10.773 -0.460 10.294 1.00 0.00 C ATOM 614 O ILE A 51 10.269 0.286 11.132 1.00 0.00 O ATOM 615 CB ILE A 51 9.169 -0.709 8.312 1.00 0.00 C ATOM 616 CG1 ILE A 51 8.343 -1.676 7.426 1.00 0.00 C ATOM 617 CG2 ILE A 51 10.075 0.141 7.406 1.00 0.00 C ATOM 618 CD1 ILE A 51 9.117 -2.793 6.718 1.00 0.00 C ATOM 0 H ILE A 51 7.975 -1.961 10.003 1.00 0.00 H new ATOM 0 HA ILE A 51 10.615 -2.147 9.019 1.00 0.00 H new ATOM 0 HB ILE A 51 8.492 -0.037 8.839 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.576 -2.136 8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.827 -1.086 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.473 0.613 6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.567 0.910 8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.828 -0.497 6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.426 -3.399 6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.866 -2.355 6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.610 -3.421 7.460 1.00 0.00 H new ATOM 629 N ALA A 52 12.086 -0.441 10.043 1.00 0.00 N ATOM 630 CA ALA A 52 13.074 0.373 10.771 1.00 0.00 C ATOM 631 C ALA A 52 13.189 1.835 10.265 1.00 0.00 C ATOM 632 O ALA A 52 14.169 2.529 10.549 1.00 0.00 O ATOM 633 CB ALA A 52 14.410 -0.379 10.702 1.00 0.00 C ATOM 0 H ALA A 52 12.507 -1.007 9.306 1.00 0.00 H new ATOM 0 HA ALA A 52 12.747 0.493 11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.175 0.189 11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.300 -1.359 11.166 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.705 -0.502 9.660 1.00 0.00 H new ATOM 639 N SER A 53 12.209 2.282 9.473 1.00 0.00 N ATOM 640 CA SER A 53 12.156 3.563 8.756 1.00 0.00 C ATOM 641 C SER A 53 10.755 3.755 8.153 1.00 0.00 C ATOM 642 O SER A 53 10.586 3.837 6.935 1.00 0.00 O ATOM 643 CB SER A 53 13.278 3.647 7.697 1.00 0.00 C ATOM 644 OG SER A 53 13.969 4.878 7.826 1.00 0.00 O ATOM 0 H SER A 53 11.374 1.721 9.304 1.00 0.00 H new ATOM 0 HA SER A 53 12.332 4.382 9.453 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.971 2.815 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.854 3.561 6.697 1.00 0.00 H new ATOM 0 HG SER A 53 14.680 4.926 7.154 1.00 0.00 H new ATOM 649 N ASP A 54 9.711 3.756 8.995 1.00 0.00 N ATOM 650 CA ASP A 54 8.320 3.909 8.534 1.00 0.00 C ATOM 651 C ASP A 54 8.146 5.154 7.647 1.00 0.00 C ATOM 652 O ASP A 54 7.427 5.104 6.657 1.00 0.00 O ATOM 653 CB ASP A 54 7.321 3.995 9.700 1.00 0.00 C ATOM 654 CG ASP A 54 7.467 2.927 10.794 1.00 0.00 C ATOM 655 OD1 ASP A 54 7.274 1.728 10.500 1.00 0.00 O ATOM 656 OD2 ASP A 54 7.732 3.303 11.963 1.00 0.00 O ATOM 0 H ASP A 54 9.803 3.652 10.005 1.00 0.00 H new ATOM 0 HA ASP A 54 8.106 3.013 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.418 4.977 10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.312 3.933 9.293 1.00 0.00 H new ATOM 660 N THR A 55 8.868 6.240 7.953 1.00 0.00 N ATOM 661 CA THR A 55 8.959 7.474 7.149 1.00 0.00 C ATOM 662 C THR A 55 9.416 7.235 5.700 1.00 0.00 C ATOM 663 O THR A 55 8.803 7.749 4.760 1.00 0.00 O ATOM 664 CB THR A 55 9.875 8.492 7.862 1.00 0.00 C ATOM 665 OG1 THR A 55 9.884 9.724 7.179 1.00 0.00 O ATOM 666 CG2 THR A 55 11.343 8.063 8.013 1.00 0.00 C ATOM 0 H THR A 55 9.430 6.288 8.803 1.00 0.00 H new ATOM 0 HA THR A 55 7.950 7.879 7.070 1.00 0.00 H new ATOM 0 HB THR A 55 9.442 8.567 8.859 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.989 9.908 6.824 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.900 8.847 8.526 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.395 7.142 8.593 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.776 7.896 7.027 1.00 0.00 H new ATOM 674 N ALA A 56 10.451 6.412 5.489 1.00 0.00 N ATOM 675 CA ALA A 56 10.981 6.108 4.161 1.00 0.00 C ATOM 676 C ALA A 56 10.049 5.169 3.384 1.00 0.00 C ATOM 677 O ALA A 56 9.825 5.376 2.190 1.00 0.00 O ATOM 678 CB ALA A 56 12.373 5.485 4.306 1.00 0.00 C ATOM 0 H ALA A 56 10.946 5.936 6.244 1.00 0.00 H new ATOM 0 HA ALA A 56 11.051 7.036 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.774 5.256 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.035 6.187 4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.302 4.568 4.890 1.00 0.00 H new ATOM 684 N LEU A 57 9.474 4.161 4.051 1.00 0.00 N ATOM 685 CA LEU A 57 8.559 3.218 3.407 1.00 0.00 C ATOM 686 C LEU A 57 7.212 3.872 3.075 1.00 0.00 C ATOM 687 O LEU A 57 6.746 3.721 1.952 1.00 0.00 O ATOM 688 CB LEU A 57 8.415 1.956 4.268 1.00 0.00 C ATOM 689 CG LEU A 57 7.942 0.741 3.433 1.00 0.00 C ATOM 690 CD1 LEU A 57 8.862 -0.455 3.663 1.00 0.00 C ATOM 691 CD2 LEU A 57 6.519 0.308 3.785 1.00 0.00 C ATOM 0 H LEU A 57 9.629 3.979 5.043 1.00 0.00 H new ATOM 0 HA LEU A 57 8.982 2.915 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.372 1.725 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.703 2.144 5.072 1.00 0.00 H new ATOM 0 HG LEU A 57 7.968 1.060 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.515 -1.300 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.878 -0.195 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.851 -0.725 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.237 -0.547 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.473 0.030 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.831 1.132 3.597 1.00 0.00 H new ATOM 702 N ALA A 58 6.648 4.681 3.978 1.00 0.00 N ATOM 703 CA ALA A 58 5.507 5.564 3.714 1.00 0.00 C ATOM 704 C ALA A 58 5.766 6.490 2.507 1.00 0.00 C ATOM 705 O ALA A 58 4.909 6.646 1.634 1.00 0.00 O ATOM 706 CB ALA A 58 5.192 6.353 4.986 1.00 0.00 C ATOM 0 H ALA A 58 6.982 4.741 4.940 1.00 0.00 H new ATOM 0 HA ALA A 58 4.639 4.961 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.345 7.014 4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.946 5.661 5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.061 6.947 5.270 1.00 0.00 H new ATOM 712 N GLY A 59 6.987 7.027 2.408 1.00 0.00 N ATOM 713 CA GLY A 59 7.472 7.790 1.258 1.00 0.00 C ATOM 714 C GLY A 59 7.562 6.977 -0.036 1.00 0.00 C ATOM 715 O GLY A 59 7.281 7.517 -1.102 1.00 0.00 O ATOM 0 H GLY A 59 7.683 6.939 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.811 8.641 1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.458 8.192 1.492 1.00 0.00 H new ATOM 719 N ALA A 60 7.889 5.682 0.027 1.00 0.00 N ATOM 720 CA ALA A 60 7.920 4.794 -1.134 1.00 0.00 C ATOM 721 C ALA A 60 6.526 4.622 -1.764 1.00 0.00 C ATOM 722 O ALA A 60 6.386 4.765 -2.981 1.00 0.00 O ATOM 723 CB ALA A 60 8.546 3.448 -0.734 1.00 0.00 C ATOM 0 H ALA A 60 8.143 5.217 0.899 1.00 0.00 H new ATOM 0 HA ALA A 60 8.542 5.248 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.569 2.786 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.562 3.612 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.951 2.991 0.057 1.00 0.00 H new ATOM 729 N LEU A 61 5.476 4.393 -0.961 1.00 0.00 N ATOM 730 CA LEU A 61 4.110 4.269 -1.491 1.00 0.00 C ATOM 731 C LEU A 61 3.609 5.629 -2.012 1.00 0.00 C ATOM 732 O LEU A 61 2.965 5.687 -3.056 1.00 0.00 O ATOM 733 CB LEU A 61 3.090 3.698 -0.478 1.00 0.00 C ATOM 734 CG LEU A 61 3.449 2.531 0.472 1.00 0.00 C ATOM 735 CD1 LEU A 61 4.605 1.609 0.080 1.00 0.00 C ATOM 736 CD2 LEU A 61 3.742 3.123 1.833 1.00 0.00 C ATOM 0 H LEU A 61 5.546 4.290 0.051 1.00 0.00 H new ATOM 0 HA LEU A 61 4.177 3.549 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.771 4.529 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.220 3.381 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 61 2.580 1.873 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.734 0.842 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.384 1.135 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.522 2.192 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.999 2.325 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.577 3.820 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.861 3.652 2.197 1.00 0.00 H new ATOM 747 N ALA A 62 3.948 6.728 -1.329 1.00 0.00 N ATOM 748 CA ALA A 62 3.651 8.090 -1.775 1.00 0.00 C ATOM 749 C ALA A 62 4.322 8.445 -3.120 1.00 0.00 C ATOM 750 O ALA A 62 3.664 9.003 -3.996 1.00 0.00 O ATOM 751 CB ALA A 62 4.063 9.058 -0.664 1.00 0.00 C ATOM 0 H ALA A 62 4.444 6.694 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 62 2.581 8.170 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.850 10.081 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.503 8.831 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.130 8.953 -0.467 1.00 0.00 H new ATOM 757 N GLN A 63 5.594 8.075 -3.316 1.00 0.00 N ATOM 758 CA GLN A 63 6.325 8.210 -4.586 1.00 0.00 C ATOM 759 C GLN A 63 5.732 7.349 -5.706 1.00 0.00 C ATOM 760 O GLN A 63 5.692 7.784 -6.857 1.00 0.00 O ATOM 761 CB GLN A 63 7.799 7.810 -4.379 1.00 0.00 C ATOM 762 CG GLN A 63 8.679 8.963 -3.873 1.00 0.00 C ATOM 763 CD GLN A 63 9.572 9.517 -4.983 1.00 0.00 C ATOM 764 OE1 GLN A 63 10.705 9.092 -5.178 1.00 0.00 O ATOM 765 NE2 GLN A 63 9.107 10.462 -5.777 1.00 0.00 N ATOM 0 H GLN A 63 6.161 7.662 -2.575 1.00 0.00 H new ATOM 0 HA GLN A 63 6.242 9.253 -4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.848 6.986 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.203 7.441 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.046 9.760 -3.482 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.298 8.614 -3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.167 10.831 -5.634 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.687 10.823 -6.534 1.00 0.00 H new ATOM 772 N ALA A 64 5.255 6.147 -5.385 1.00 0.00 N ATOM 773 CA ALA A 64 4.614 5.247 -6.338 1.00 0.00 C ATOM 774 C ALA A 64 3.279 5.800 -6.858 1.00 0.00 C ATOM 775 O ALA A 64 3.062 5.942 -8.064 1.00 0.00 O ATOM 776 CB ALA A 64 4.401 3.925 -5.613 1.00 0.00 C ATOM 0 H ALA A 64 5.305 5.767 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 64 5.247 5.126 -7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.922 3.214 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.363 3.528 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.765 4.086 -4.743 1.00 0.00 H new ATOM 782 N VAL A 65 2.407 6.171 -5.925 1.00 0.00 N ATOM 783 CA VAL A 65 1.115 6.820 -6.161 1.00 0.00 C ATOM 784 C VAL A 65 1.273 8.147 -6.907 1.00 0.00 C ATOM 785 O VAL A 65 0.641 8.361 -7.943 1.00 0.00 O ATOM 786 CB VAL A 65 0.447 7.001 -4.792 1.00 0.00 C ATOM 787 CG1 VAL A 65 -0.625 8.070 -4.747 1.00 0.00 C ATOM 788 CG2 VAL A 65 -0.178 5.678 -4.356 1.00 0.00 C ATOM 0 H VAL A 65 2.589 6.021 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 65 0.489 6.203 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 65 1.241 7.326 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.040 8.127 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.190 9.033 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.417 7.821 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.654 5.803 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.925 5.370 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.597 4.915 -4.285 1.00 0.00 H new ATOM 798 N GLY A 66 2.189 8.997 -6.438 1.00 0.00 N ATOM 799 CA GLY A 66 2.585 10.247 -7.091 1.00 0.00 C ATOM 800 C GLY A 66 3.358 10.056 -8.405 1.00 0.00 C ATOM 801 O GLY A 66 3.634 11.036 -9.098 1.00 0.00 O ATOM 0 H GLY A 66 2.691 8.829 -5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.691 10.838 -7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.201 10.824 -6.401 1.00 0.00 H new ATOM 805 N GLY A 67 3.692 8.811 -8.763 1.00 0.00 N ATOM 806 CA GLY A 67 4.396 8.433 -9.989 1.00 0.00 C ATOM 807 C GLY A 67 3.435 8.061 -11.121 1.00 0.00 C ATOM 808 O GLY A 67 3.623 8.505 -12.255 1.00 0.00 O ATOM 0 H GLY A 67 3.468 8.005 -8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.030 9.259 -10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.054 7.589 -9.782 1.00 0.00 H new ATOM 812 N VAL A 68 2.372 7.302 -10.818 1.00 0.00 N ATOM 813 CA VAL A 68 1.280 7.011 -11.769 1.00 0.00 C ATOM 814 C VAL A 68 0.397 8.248 -12.009 1.00 0.00 C ATOM 815 O VAL A 68 0.146 8.602 -13.163 1.00 0.00 O ATOM 816 CB VAL A 68 0.429 5.819 -11.282 1.00 0.00 C ATOM 817 CG1 VAL A 68 -0.802 5.582 -12.161 1.00 0.00 C ATOM 818 CG2 VAL A 68 1.242 4.519 -11.306 1.00 0.00 C ATOM 0 H VAL A 68 2.241 6.869 -9.904 1.00 0.00 H new ATOM 0 HA VAL A 68 1.737 6.740 -12.721 1.00 0.00 H new ATOM 0 HB VAL A 68 0.119 6.077 -10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.366 4.733 -11.776 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.433 6.471 -12.151 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.485 5.373 -13.183 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.620 3.694 -10.958 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.576 4.318 -12.324 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.109 4.620 -10.653 1.00 0.00 H new ATOM 828 N GLY A 69 -0.059 8.914 -10.941 1.00 0.00 N ATOM 829 CA GLY A 69 -0.955 10.081 -11.001 1.00 0.00 C ATOM 830 C GLY A 69 -2.432 9.762 -10.716 1.00 0.00 C ATOM 831 O GLY A 69 -2.843 8.600 -10.707 1.00 0.00 O ATOM 0 H GLY A 69 0.189 8.652 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.611 10.825 -10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.878 10.533 -11.990 1.00 0.00 H new ATOM 835 N ALA A 70 -3.242 10.801 -10.492 1.00 0.00 N ATOM 836 CA ALA A 70 -4.660 10.679 -10.133 1.00 0.00 C ATOM 837 C ALA A 70 -5.590 10.333 -11.307 1.00 0.00 C ATOM 838 O ALA A 70 -5.272 10.556 -12.480 1.00 0.00 O ATOM 839 CB ALA A 70 -5.110 11.957 -9.424 1.00 0.00 C ATOM 0 H ALA A 70 -2.926 11.769 -10.556 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.742 9.824 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.163 11.872 -9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.515 12.101 -8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.973 12.810 -10.089 1.00 0.00 H new ATOM 845 N GLY A 71 -6.757 9.771 -10.972 1.00 0.00 N ATOM 846 CA GLY A 71 -7.738 9.239 -11.928 1.00 0.00 C ATOM 847 C GLY A 71 -7.320 7.920 -12.598 1.00 0.00 C ATOM 848 O GLY A 71 -8.086 7.363 -13.387 1.00 0.00 O ATOM 0 H GLY A 71 -7.054 9.670 -10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.685 9.086 -11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.915 9.986 -12.702 1.00 0.00 H new ATOM 852 N ALA A 72 -6.122 7.408 -12.289 1.00 0.00 N ATOM 853 CA ALA A 72 -5.636 6.101 -12.721 1.00 0.00 C ATOM 854 C ALA A 72 -6.414 4.939 -12.071 1.00 0.00 C ATOM 855 O ALA A 72 -7.115 5.110 -11.067 1.00 0.00 O ATOM 856 CB ALA A 72 -4.145 6.021 -12.385 1.00 0.00 C ATOM 0 H ALA A 72 -5.447 7.911 -11.713 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.793 5.998 -13.795 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.753 5.053 -12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.611 6.814 -12.908 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.007 6.139 -11.310 1.00 0.00 H new ATOM 862 N SER A 73 -6.266 3.738 -12.637 1.00 0.00 N ATOM 863 CA SER A 73 -6.892 2.522 -12.107 1.00 0.00 C ATOM 864 C SER A 73 -6.319 2.124 -10.743 1.00 0.00 C ATOM 865 O SER A 73 -5.127 2.301 -10.474 1.00 0.00 O ATOM 866 CB SER A 73 -6.717 1.369 -13.097 1.00 0.00 C ATOM 867 OG SER A 73 -7.536 0.282 -12.705 1.00 0.00 O ATOM 0 H SER A 73 -5.708 3.581 -13.476 1.00 0.00 H new ATOM 0 HA SER A 73 -7.952 2.736 -11.970 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.984 1.695 -14.102 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.673 1.058 -13.129 1.00 0.00 H new ATOM 0 HG SER A 73 -7.426 -0.456 -13.340 1.00 0.00 H new ATOM 872 N ALA A 74 -7.145 1.505 -9.899 1.00 0.00 N ATOM 873 CA ALA A 74 -6.684 0.903 -8.652 1.00 0.00 C ATOM 874 C ALA A 74 -5.650 -0.210 -8.872 1.00 0.00 C ATOM 875 O ALA A 74 -4.781 -0.385 -8.025 1.00 0.00 O ATOM 876 CB ALA A 74 -7.886 0.381 -7.878 1.00 0.00 C ATOM 0 H ALA A 74 -8.147 1.408 -10.061 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.175 1.675 -8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.550 -0.070 -6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.564 1.206 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.407 -0.367 -8.476 1.00 0.00 H new ATOM 882 N SER A 75 -5.678 -0.915 -10.010 1.00 0.00 N ATOM 883 CA SER A 75 -4.624 -1.875 -10.379 1.00 0.00 C ATOM 884 C SER A 75 -3.280 -1.193 -10.639 1.00 0.00 C ATOM 885 O SER A 75 -2.246 -1.740 -10.267 1.00 0.00 O ATOM 886 CB SER A 75 -5.005 -2.677 -11.627 1.00 0.00 C ATOM 887 OG SER A 75 -6.242 -3.345 -11.437 1.00 0.00 O ATOM 0 H SER A 75 -6.426 -0.839 -10.699 1.00 0.00 H new ATOM 0 HA SER A 75 -4.524 -2.544 -9.524 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.075 -2.010 -12.486 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.224 -3.404 -11.850 1.00 0.00 H new ATOM 0 HG SER A 75 -6.469 -3.850 -12.246 1.00 0.00 H new ATOM 892 N ALA A 76 -3.273 0.009 -11.231 1.00 0.00 N ATOM 893 CA ALA A 76 -2.056 0.796 -11.430 1.00 0.00 C ATOM 894 C ALA A 76 -1.491 1.303 -10.095 1.00 0.00 C ATOM 895 O ALA A 76 -0.291 1.179 -9.866 1.00 0.00 O ATOM 896 CB ALA A 76 -2.335 1.951 -12.398 1.00 0.00 C ATOM 0 H ALA A 76 -4.116 0.461 -11.585 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.294 0.153 -11.871 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.425 2.533 -12.542 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.665 1.551 -13.357 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.114 2.592 -11.985 1.00 0.00 H new ATOM 902 N TYR A 77 -2.340 1.792 -9.181 1.00 0.00 N ATOM 903 CA TYR A 77 -1.919 2.133 -7.818 1.00 0.00 C ATOM 904 C TYR A 77 -1.431 0.913 -7.032 1.00 0.00 C ATOM 905 O TYR A 77 -0.355 0.963 -6.443 1.00 0.00 O ATOM 906 CB TYR A 77 -3.059 2.812 -7.048 1.00 0.00 C ATOM 907 CG TYR A 77 -3.330 4.263 -7.398 1.00 0.00 C ATOM 908 CD1 TYR A 77 -2.270 5.188 -7.449 1.00 0.00 C ATOM 909 CD2 TYR A 77 -4.656 4.711 -7.554 1.00 0.00 C ATOM 910 CE1 TYR A 77 -2.534 6.561 -7.596 1.00 0.00 C ATOM 911 CE2 TYR A 77 -4.928 6.087 -7.676 1.00 0.00 C ATOM 912 CZ TYR A 77 -3.865 7.016 -7.652 1.00 0.00 C ATOM 913 OH TYR A 77 -4.119 8.350 -7.622 1.00 0.00 O ATOM 0 H TYR A 77 -3.329 1.961 -9.364 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.082 2.824 -7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.973 2.242 -7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.837 2.752 -5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.250 4.841 -7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.466 3.997 -7.580 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.718 7.265 -7.666 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.946 6.431 -7.788 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.086 8.500 -7.670 1.00 0.00 H new ATOM 922 N ALA A 78 -2.175 -0.196 -7.052 1.00 0.00 N ATOM 923 CA ALA A 78 -1.792 -1.443 -6.403 1.00 0.00 C ATOM 924 C ALA A 78 -0.448 -1.963 -6.925 1.00 0.00 C ATOM 925 O ALA A 78 0.419 -2.263 -6.112 1.00 0.00 O ATOM 926 CB ALA A 78 -2.902 -2.480 -6.597 1.00 0.00 C ATOM 0 H ALA A 78 -3.075 -0.249 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.663 -1.255 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.617 -3.413 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.827 -2.110 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.053 -2.656 -7.662 1.00 0.00 H new ATOM 932 N ASN A 79 -0.225 -2.003 -8.245 1.00 0.00 N ATOM 933 CA ASN A 79 1.084 -2.343 -8.808 1.00 0.00 C ATOM 934 C ASN A 79 2.156 -1.332 -8.411 1.00 0.00 C ATOM 935 O ASN A 79 3.221 -1.754 -7.987 1.00 0.00 O ATOM 936 CB ASN A 79 1.038 -2.475 -10.345 1.00 0.00 C ATOM 937 CG ASN A 79 1.061 -3.916 -10.831 1.00 0.00 C ATOM 938 OD1 ASN A 79 1.697 -4.793 -10.263 1.00 0.00 O ATOM 939 ND2 ASN A 79 0.402 -4.205 -11.929 1.00 0.00 N ATOM 0 H ASN A 79 -0.940 -1.803 -8.945 1.00 0.00 H new ATOM 0 HA ASN A 79 1.349 -3.313 -8.387 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.136 -1.989 -10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.887 -1.942 -10.773 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.423 -5.154 -12.302 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.131 -3.480 -12.410 1.00 0.00 H new ATOM 945 N ALA A 80 1.911 -0.024 -8.510 1.00 0.00 N ATOM 946 CA ALA A 80 2.904 0.985 -8.151 1.00 0.00 C ATOM 947 C ALA A 80 3.350 0.827 -6.688 1.00 0.00 C ATOM 948 O ALA A 80 4.544 0.735 -6.409 1.00 0.00 O ATOM 949 CB ALA A 80 2.328 2.376 -8.449 1.00 0.00 C ATOM 0 H ALA A 80 1.026 0.361 -8.839 1.00 0.00 H new ATOM 0 HA ALA A 80 3.803 0.853 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.061 3.138 -8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.092 2.452 -9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.421 2.527 -7.864 1.00 0.00 H new ATOM 955 N ILE A 81 2.397 0.745 -5.756 1.00 0.00 N ATOM 956 CA ILE A 81 2.653 0.572 -4.321 1.00 0.00 C ATOM 957 C ILE A 81 3.296 -0.785 -4.047 1.00 0.00 C ATOM 958 O ILE A 81 4.296 -0.836 -3.341 1.00 0.00 O ATOM 959 CB ILE A 81 1.347 0.736 -3.522 1.00 0.00 C ATOM 960 CG1 ILE A 81 0.816 2.178 -3.676 1.00 0.00 C ATOM 961 CG2 ILE A 81 1.566 0.414 -2.031 1.00 0.00 C ATOM 962 CD1 ILE A 81 -0.649 2.284 -3.261 1.00 0.00 C ATOM 0 H ILE A 81 1.404 0.798 -5.981 1.00 0.00 H new ATOM 0 HA ILE A 81 3.351 1.344 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 81 0.613 0.034 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.417 2.855 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.925 2.498 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.628 0.538 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.911 -0.615 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.314 1.091 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.988 3.313 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.253 1.626 -3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.754 1.989 -2.217 1.00 0.00 H new ATOM 973 N ALA A 82 2.788 -1.875 -4.623 1.00 0.00 N ATOM 974 CA ALA A 82 3.361 -3.207 -4.454 1.00 0.00 C ATOM 975 C ALA A 82 4.748 -3.358 -5.102 1.00 0.00 C ATOM 976 O ALA A 82 5.553 -4.147 -4.613 1.00 0.00 O ATOM 977 CB ALA A 82 2.392 -4.253 -4.999 1.00 0.00 C ATOM 0 H ALA A 82 1.963 -1.857 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 82 3.511 -3.361 -3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.821 -5.247 -4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.449 -4.193 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.214 -4.067 -6.058 1.00 0.00 H new ATOM 983 N ARG A 83 5.067 -2.587 -6.150 1.00 0.00 N ATOM 984 CA ARG A 83 6.424 -2.456 -6.702 1.00 0.00 C ATOM 985 C ARG A 83 7.311 -1.575 -5.840 1.00 0.00 C ATOM 986 O ARG A 83 8.476 -1.904 -5.699 1.00 0.00 O ATOM 987 CB ARG A 83 6.427 -1.887 -8.131 1.00 0.00 C ATOM 988 CG ARG A 83 6.036 -2.910 -9.210 1.00 0.00 C ATOM 989 CD ARG A 83 6.699 -2.517 -10.533 1.00 0.00 C ATOM 990 NE ARG A 83 6.278 -3.387 -11.647 1.00 0.00 N ATOM 991 CZ ARG A 83 6.679 -3.287 -12.902 1.00 0.00 C ATOM 992 NH1 ARG A 83 7.534 -2.380 -13.287 1.00 0.00 N ATOM 993 NH2 ARG A 83 6.222 -4.104 -13.807 1.00 0.00 N ATOM 0 H ARG A 83 4.376 -2.026 -6.648 1.00 0.00 H new ATOM 0 HA ARG A 83 6.821 -3.471 -6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.738 -1.044 -8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.421 -1.499 -8.355 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.352 -3.910 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.953 -2.939 -9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.451 -1.482 -10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.782 -2.568 -10.424 1.00 0.00 H new ATOM 0 HE ARG A 83 5.618 -4.133 -11.429 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.915 -1.719 -12.610 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.821 -2.332 -14.265 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.550 -4.827 -13.549 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.536 -4.021 -14.774 1.00 0.00 H new ATOM 1004 N ALA A 84 6.833 -0.479 -5.262 1.00 0.00 N ATOM 1005 CA ALA A 84 7.656 0.345 -4.377 1.00 0.00 C ATOM 1006 C ALA A 84 7.931 -0.365 -3.046 1.00 0.00 C ATOM 1007 O ALA A 84 9.089 -0.533 -2.676 1.00 0.00 O ATOM 1008 CB ALA A 84 6.990 1.702 -4.192 1.00 0.00 C ATOM 0 H ALA A 84 5.880 -0.138 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 84 8.632 0.506 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.600 2.320 -3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.890 2.193 -5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.003 1.566 -3.751 1.00 0.00 H new ATOM 1014 N ALA A 85 6.894 -0.875 -2.380 1.00 0.00 N ATOM 1015 CA ALA A 85 6.999 -1.738 -1.208 1.00 0.00 C ATOM 1016 C ALA A 85 7.788 -3.024 -1.509 1.00 0.00 C ATOM 1017 O ALA A 85 8.668 -3.400 -0.741 1.00 0.00 O ATOM 1018 CB ALA A 85 5.585 -2.067 -0.719 1.00 0.00 C ATOM 0 H ALA A 85 5.928 -0.691 -2.652 1.00 0.00 H new ATOM 0 HA ALA A 85 7.551 -1.212 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.644 -2.712 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.067 -1.145 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.036 -2.579 -1.510 1.00 0.00 H new ATOM 1024 N GLY A 86 7.528 -3.670 -2.651 1.00 0.00 N ATOM 1025 CA GLY A 86 8.226 -4.881 -3.088 1.00 0.00 C ATOM 1026 C GLY A 86 9.700 -4.640 -3.400 1.00 0.00 C ATOM 1027 O GLY A 86 10.538 -5.401 -2.932 1.00 0.00 O ATOM 0 H GLY A 86 6.813 -3.359 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.144 -5.641 -2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.733 -5.278 -3.975 1.00 0.00 H new ATOM 1031 N GLN A 87 10.050 -3.562 -4.113 1.00 0.00 N ATOM 1032 CA GLN A 87 11.441 -3.133 -4.310 1.00 0.00 C ATOM 1033 C GLN A 87 12.115 -2.763 -2.981 1.00 0.00 C ATOM 1034 O GLN A 87 13.270 -3.126 -2.776 1.00 0.00 O ATOM 1035 CB GLN A 87 11.540 -1.945 -5.284 1.00 0.00 C ATOM 1036 CG GLN A 87 11.355 -2.349 -6.758 1.00 0.00 C ATOM 1037 CD GLN A 87 11.416 -1.136 -7.686 1.00 0.00 C ATOM 1038 OE1 GLN A 87 12.372 -0.926 -8.422 1.00 0.00 O ATOM 1039 NE2 GLN A 87 10.413 -0.285 -7.681 1.00 0.00 N ATOM 0 H GLN A 87 9.370 -2.957 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 87 11.965 -3.985 -4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.785 -1.204 -5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.512 -1.466 -5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 87 12.129 -3.063 -7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.396 -2.853 -6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.610 -0.447 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.438 0.537 -8.285 1.00 0.00 H new ATOM 1046 N PHE A 88 11.412 -2.093 -2.061 1.00 0.00 N ATOM 1047 CA PHE A 88 11.948 -1.750 -0.739 1.00 0.00 C ATOM 1048 C PHE A 88 12.245 -3.016 0.082 1.00 0.00 C ATOM 1049 O PHE A 88 13.355 -3.197 0.571 1.00 0.00 O ATOM 1050 CB PHE A 88 10.978 -0.805 -0.007 1.00 0.00 C ATOM 1051 CG PHE A 88 11.621 0.096 1.031 1.00 0.00 C ATOM 1052 CD1 PHE A 88 12.160 -0.439 2.217 1.00 0.00 C ATOM 1053 CD2 PHE A 88 11.664 1.488 0.815 1.00 0.00 C ATOM 1054 CE1 PHE A 88 12.736 0.412 3.178 1.00 0.00 C ATOM 1055 CE2 PHE A 88 12.235 2.339 1.777 1.00 0.00 C ATOM 1056 CZ PHE A 88 12.772 1.800 2.958 1.00 0.00 C ATOM 0 H PHE A 88 10.455 -1.773 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 88 12.896 -1.227 -0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.475 -0.181 -0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.209 -1.404 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.131 -1.505 2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.256 1.903 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 88 13.151 -0.001 4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 88 12.261 3.405 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.213 2.452 3.697 1.00 0.00 H new ATOM 1065 N LEU A 89 11.293 -3.944 0.202 1.00 0.00 N ATOM 1066 CA LEU A 89 11.510 -5.207 0.915 1.00 0.00 C ATOM 1067 C LEU A 89 12.514 -6.129 0.201 1.00 0.00 C ATOM 1068 O LEU A 89 13.237 -6.877 0.865 1.00 0.00 O ATOM 1069 CB LEU A 89 10.160 -5.893 1.179 1.00 0.00 C ATOM 1070 CG LEU A 89 9.218 -5.122 2.128 1.00 0.00 C ATOM 1071 CD1 LEU A 89 8.023 -6.010 2.452 1.00 0.00 C ATOM 1072 CD2 LEU A 89 9.864 -4.695 3.445 1.00 0.00 C ATOM 0 H LEU A 89 10.356 -3.844 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 89 11.971 -4.980 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.651 -6.042 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.346 -6.882 1.599 1.00 0.00 H new ATOM 0 HG LEU A 89 8.935 -4.209 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.347 -5.480 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.497 -6.262 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.369 -6.924 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.134 -4.160 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.207 -5.578 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.713 -4.043 3.239 1.00 0.00 H new ATOM 1083 N ALA A 90 12.617 -6.048 -1.128 1.00 0.00 N ATOM 1084 CA ALA A 90 13.668 -6.696 -1.906 1.00 0.00 C ATOM 1085 C ALA A 90 15.069 -6.158 -1.562 1.00 0.00 C ATOM 1086 O ALA A 90 15.968 -6.954 -1.283 1.00 0.00 O ATOM 1087 CB ALA A 90 13.363 -6.534 -3.401 1.00 0.00 C ATOM 0 H ALA A 90 11.959 -5.520 -1.701 1.00 0.00 H new ATOM 0 HA ALA A 90 13.679 -7.755 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.146 -7.017 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.402 -6.996 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.324 -5.474 -3.652 1.00 0.00 H new ATOM 1093 N THR A 91 15.265 -4.834 -1.515 1.00 0.00 N ATOM 1094 CA THR A 91 16.554 -4.226 -1.128 1.00 0.00 C ATOM 1095 C THR A 91 16.884 -4.414 0.357 1.00 0.00 C ATOM 1096 O THR A 91 18.059 -4.551 0.701 1.00 0.00 O ATOM 1097 CB THR A 91 16.649 -2.732 -1.490 1.00 0.00 C ATOM 1098 OG1 THR A 91 15.594 -1.987 -0.929 1.00 0.00 O ATOM 1099 CG2 THR A 91 16.643 -2.506 -3.003 1.00 0.00 C ATOM 0 H THR A 91 14.541 -4.153 -1.742 1.00 0.00 H new ATOM 0 HA THR A 91 17.295 -4.768 -1.715 1.00 0.00 H new ATOM 0 HB THR A 91 17.598 -2.391 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.002 -2.585 -0.427 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.712 -1.438 -3.212 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.494 -3.019 -3.451 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.719 -2.900 -3.426 1.00 0.00 H new ATOM 1107 N GLN A 92 15.877 -4.516 1.237 1.00 0.00 N ATOM 1108 CA GLN A 92 16.058 -4.939 2.637 1.00 0.00 C ATOM 1109 C GLN A 92 16.371 -6.441 2.806 1.00 0.00 C ATOM 1110 O GLN A 92 16.674 -6.877 3.918 1.00 0.00 O ATOM 1111 CB GLN A 92 14.825 -4.557 3.485 1.00 0.00 C ATOM 1112 CG GLN A 92 14.592 -3.045 3.648 1.00 0.00 C ATOM 1113 CD GLN A 92 15.855 -2.269 4.014 1.00 0.00 C ATOM 1114 OE1 GLN A 92 16.431 -2.423 5.083 1.00 0.00 O ATOM 1115 NE2 GLN A 92 16.346 -1.424 3.131 1.00 0.00 N ATOM 0 H GLN A 92 14.908 -4.307 0.998 1.00 0.00 H new ATOM 0 HA GLN A 92 16.937 -4.402 2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.939 -4.999 3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.931 -5.002 4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.187 -2.646 2.718 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.839 -2.883 4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.874 -1.289 2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.199 -0.905 3.341 1.00 0.00 H new ATOM 1122 N GLY A 93 16.292 -7.254 1.743 1.00 0.00 N ATOM 1123 CA GLY A 93 16.455 -8.714 1.811 1.00 0.00 C ATOM 1124 C GLY A 93 15.380 -9.428 2.647 1.00 0.00 C ATOM 1125 O GLY A 93 15.572 -10.576 3.046 1.00 0.00 O ATOM 0 H GLY A 93 16.111 -6.912 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.440 -9.118 0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.435 -8.940 2.230 1.00 0.00 H new ATOM 1129 N VAL A 94 14.254 -8.757 2.922 1.00 0.00 N ATOM 1130 CA VAL A 94 13.054 -9.342 3.547 1.00 0.00 C ATOM 1131 C VAL A 94 12.379 -10.343 2.602 1.00 0.00 C ATOM 1132 O VAL A 94 11.762 -11.306 3.057 1.00 0.00 O ATOM 1133 CB VAL A 94 12.099 -8.208 3.990 1.00 0.00 C ATOM 1134 CG1 VAL A 94 10.636 -8.620 4.199 1.00 0.00 C ATOM 1135 CG2 VAL A 94 12.609 -7.615 5.309 1.00 0.00 C ATOM 0 H VAL A 94 14.147 -7.765 2.711 1.00 0.00 H new ATOM 0 HA VAL A 94 13.341 -9.904 4.436 1.00 0.00 H new ATOM 0 HB VAL A 94 12.103 -7.495 3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.054 -7.752 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.232 -9.015 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.581 -9.387 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.942 -6.814 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.635 -8.393 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 94 13.613 -7.215 5.164 1.00 0.00 H new ATOM 1145 N LEU A 95 12.540 -10.156 1.288 1.00 0.00 N ATOM 1146 CA LEU A 95 12.030 -11.063 0.259 1.00 0.00 C ATOM 1147 C LEU A 95 13.082 -12.112 -0.123 1.00 0.00 C ATOM 1148 O LEU A 95 14.240 -11.789 -0.385 1.00 0.00 O ATOM 1149 CB LEU A 95 11.564 -10.240 -0.957 1.00 0.00 C ATOM 1150 CG LEU A 95 10.539 -9.143 -0.616 1.00 0.00 C ATOM 1151 CD1 LEU A 95 9.918 -8.588 -1.895 1.00 0.00 C ATOM 1152 CD2 LEU A 95 9.426 -9.626 0.308 1.00 0.00 C ATOM 0 H LEU A 95 13.039 -9.353 0.904 1.00 0.00 H new ATOM 0 HA LEU A 95 11.174 -11.613 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.433 -9.778 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.127 -10.915 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 95 11.089 -8.365 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.195 -7.813 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.700 -8.163 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.415 -9.391 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.738 -8.805 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.886 -10.444 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.858 -9.975 1.246 1.00 0.00 H new ATOM 1163 N ASN A 96 12.648 -13.374 -0.183 1.00 0.00 N ATOM 1164 CA ASN A 96 13.470 -14.556 -0.465 1.00 0.00 C ATOM 1165 C ASN A 96 12.680 -15.542 -1.343 1.00 0.00 C ATOM 1166 O ASN A 96 11.458 -15.634 -1.215 1.00 0.00 O ATOM 1167 CB ASN A 96 13.858 -15.262 0.857 1.00 0.00 C ATOM 1168 CG ASN A 96 14.095 -14.344 2.046 1.00 0.00 C ATOM 1169 OD1 ASN A 96 15.173 -13.804 2.245 1.00 0.00 O ATOM 1170 ND2 ASN A 96 13.093 -14.156 2.878 1.00 0.00 N ATOM 0 H ASN A 96 11.668 -13.611 -0.029 1.00 0.00 H new ATOM 0 HA ASN A 96 14.372 -14.237 -0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 96 13.069 -15.967 1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 96 14.763 -15.845 0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.214 -13.557 3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 96 12.196 -14.610 2.706 1.00 0.00 H new ATOM 1176 N ALA A 97 13.352 -16.371 -2.143 1.00 0.00 N ATOM 1177 CA ALA A 97 12.713 -17.435 -2.935 1.00 0.00 C ATOM 1178 C ALA A 97 11.918 -18.472 -2.099 1.00 0.00 C ATOM 1179 O ALA A 97 11.107 -19.215 -2.653 1.00 0.00 O ATOM 1180 CB ALA A 97 13.791 -18.108 -3.792 1.00 0.00 C ATOM 0 H ALA A 97 14.364 -16.326 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 97 11.955 -16.968 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.339 -18.901 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.243 -17.369 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 97 14.558 -18.533 -3.144 1.00 0.00 H new ATOM 1186 N VAL A 98 12.114 -18.489 -0.771 1.00 0.00 N ATOM 1187 CA VAL A 98 11.336 -19.252 0.227 1.00 0.00 C ATOM 1188 C VAL A 98 9.823 -19.069 0.037 1.00 0.00 C ATOM 1189 O VAL A 98 9.095 -20.057 -0.068 1.00 0.00 O ATOM 1190 CB VAL A 98 11.738 -18.820 1.658 1.00 0.00 C ATOM 1191 CG1 VAL A 98 11.011 -19.616 2.746 1.00 0.00 C ATOM 1192 CG2 VAL A 98 13.240 -18.981 1.921 1.00 0.00 C ATOM 0 H VAL A 98 12.859 -17.943 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 98 11.566 -20.308 0.082 1.00 0.00 H new ATOM 0 HB VAL A 98 11.453 -17.769 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.333 -19.269 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.935 -19.471 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.246 -20.675 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 98 13.467 -18.664 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 98 13.521 -20.027 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 98 13.801 -18.367 1.216 1.00 0.00 H new ATOM 1202 N ASN A 99 9.361 -17.810 -0.015 1.00 0.00 N ATOM 1203 CA ASN A 99 7.943 -17.421 -0.115 1.00 0.00 C ATOM 1204 C ASN A 99 7.721 -15.904 -0.337 1.00 0.00 C ATOM 1205 O ASN A 99 6.709 -15.367 0.108 1.00 0.00 O ATOM 1206 CB ASN A 99 7.118 -17.982 1.080 1.00 0.00 C ATOM 1207 CG ASN A 99 7.676 -17.773 2.481 1.00 0.00 C ATOM 1208 OD1 ASN A 99 7.549 -18.632 3.343 1.00 0.00 O ATOM 1209 ND2 ASN A 99 8.289 -16.653 2.789 1.00 0.00 N ATOM 0 H ASN A 99 9.986 -17.005 0.012 1.00 0.00 H new ATOM 0 HA ASN A 99 7.564 -17.887 -1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.125 -17.533 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.989 -19.053 0.926 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.649 -16.512 3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.405 -15.925 2.084 1.00 0.00 H new ATOM 1215 N ALA A 100 8.637 -15.180 -0.997 1.00 0.00 N ATOM 1216 CA ALA A 100 8.452 -13.759 -1.344 1.00 0.00 C ATOM 1217 C ALA A 100 7.119 -13.472 -2.047 1.00 0.00 C ATOM 1218 O ALA A 100 6.506 -12.438 -1.794 1.00 0.00 O ATOM 1219 CB ALA A 100 9.598 -13.302 -2.244 1.00 0.00 C ATOM 0 H ALA A 100 9.530 -15.563 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 100 8.444 -13.207 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.462 -12.252 -2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.545 -13.428 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.606 -13.900 -3.155 1.00 0.00 H new ATOM 1225 N SER A 101 6.646 -14.404 -2.883 1.00 0.00 N ATOM 1226 CA SER A 101 5.304 -14.343 -3.465 1.00 0.00 C ATOM 1227 C SER A 101 4.239 -14.219 -2.372 1.00 0.00 C ATOM 1228 O SER A 101 3.630 -13.164 -2.228 1.00 0.00 O ATOM 1229 CB SER A 101 5.061 -15.549 -4.380 1.00 0.00 C ATOM 1230 OG SER A 101 3.988 -15.283 -5.266 1.00 0.00 O ATOM 0 H SER A 101 7.184 -15.220 -3.174 1.00 0.00 H new ATOM 0 HA SER A 101 5.229 -13.447 -4.082 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.964 -15.772 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.836 -16.431 -3.780 1.00 0.00 H new ATOM 0 HG SER A 101 3.843 -16.059 -5.846 1.00 0.00 H new ATOM 1235 N SER A 102 4.090 -15.221 -1.506 1.00 0.00 N ATOM 1236 CA SER A 102 3.120 -15.215 -0.397 1.00 0.00 C ATOM 1237 C SER A 102 3.312 -14.081 0.624 1.00 0.00 C ATOM 1238 O SER A 102 2.321 -13.568 1.148 1.00 0.00 O ATOM 1239 CB SER A 102 3.149 -16.568 0.315 1.00 0.00 C ATOM 1240 OG SER A 102 2.570 -17.562 -0.517 1.00 0.00 O ATOM 0 H SER A 102 4.645 -16.075 -1.551 1.00 0.00 H new ATOM 0 HA SER A 102 2.148 -15.031 -0.854 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.176 -16.839 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.603 -16.506 1.256 1.00 0.00 H new ATOM 0 HG SER A 102 2.592 -18.427 -0.057 1.00 0.00 H new ATOM 1245 N LEU A 103 4.545 -13.623 0.876 1.00 0.00 N ATOM 1246 CA LEU A 103 4.809 -12.432 1.704 1.00 0.00 C ATOM 1247 C LEU A 103 4.221 -11.140 1.101 1.00 0.00 C ATOM 1248 O LEU A 103 3.863 -10.225 1.844 1.00 0.00 O ATOM 1249 CB LEU A 103 6.321 -12.280 1.965 1.00 0.00 C ATOM 1250 CG LEU A 103 6.932 -13.344 2.900 1.00 0.00 C ATOM 1251 CD1 LEU A 103 8.444 -13.124 3.006 1.00 0.00 C ATOM 1252 CD2 LEU A 103 6.347 -13.303 4.313 1.00 0.00 C ATOM 0 H LEU A 103 5.390 -14.065 0.513 1.00 0.00 H new ATOM 0 HA LEU A 103 4.299 -12.588 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.844 -12.314 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.503 -11.294 2.393 1.00 0.00 H new ATOM 0 HG LEU A 103 6.696 -14.315 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.876 -13.876 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.894 -13.209 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.640 -12.131 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.816 -14.075 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.535 -12.325 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.272 -13.480 4.267 1.00 0.00 H new ATOM 1263 N GLY A 104 4.038 -11.082 -0.221 1.00 0.00 N ATOM 1264 CA GLY A 104 3.291 -10.019 -0.901 1.00 0.00 C ATOM 1265 C GLY A 104 1.852 -9.896 -0.412 1.00 0.00 C ATOM 1266 O GLY A 104 1.378 -8.802 -0.103 1.00 0.00 O ATOM 0 H GLY A 104 4.411 -11.784 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.803 -9.069 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.289 -10.213 -1.974 1.00 0.00 H new ATOM 1270 N SER A 105 1.178 -11.036 -0.251 1.00 0.00 N ATOM 1271 CA SER A 105 -0.155 -11.099 0.353 1.00 0.00 C ATOM 1272 C SER A 105 -0.164 -10.627 1.811 1.00 0.00 C ATOM 1273 O SER A 105 -1.103 -9.947 2.221 1.00 0.00 O ATOM 1274 CB SER A 105 -0.726 -12.521 0.252 1.00 0.00 C ATOM 1275 OG SER A 105 -1.775 -12.536 -0.698 1.00 0.00 O ATOM 0 H SER A 105 1.542 -11.945 -0.537 1.00 0.00 H new ATOM 0 HA SER A 105 -0.789 -10.414 -0.211 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.057 -13.220 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.095 -12.847 1.224 1.00 0.00 H new ATOM 0 HG SER A 105 -2.141 -13.442 -0.767 1.00 0.00 H new ATOM 1280 N ALA A 106 0.886 -10.911 2.593 1.00 0.00 N ATOM 1281 CA ALA A 106 0.997 -10.431 3.974 1.00 0.00 C ATOM 1282 C ALA A 106 1.041 -8.887 4.066 1.00 0.00 C ATOM 1283 O ALA A 106 0.349 -8.303 4.903 1.00 0.00 O ATOM 1284 CB ALA A 106 2.210 -11.090 4.647 1.00 0.00 C ATOM 0 H ALA A 106 1.678 -11.477 2.287 1.00 0.00 H new ATOM 0 HA ALA A 106 0.096 -10.724 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.294 -10.734 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.082 -12.173 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.116 -10.832 4.098 1.00 0.00 H new ATOM 1290 N LEU A 107 1.780 -8.208 3.176 1.00 0.00 N ATOM 1291 CA LEU A 107 1.773 -6.739 3.084 1.00 0.00 C ATOM 1292 C LEU A 107 0.461 -6.181 2.517 1.00 0.00 C ATOM 1293 O LEU A 107 -0.006 -5.142 2.977 1.00 0.00 O ATOM 1294 CB LEU A 107 2.993 -6.275 2.274 1.00 0.00 C ATOM 1295 CG LEU A 107 3.149 -4.738 2.170 1.00 0.00 C ATOM 1296 CD1 LEU A 107 4.622 -4.336 2.103 1.00 0.00 C ATOM 1297 CD2 LEU A 107 2.491 -4.142 0.922 1.00 0.00 C ATOM 0 H LEU A 107 2.398 -8.659 2.501 1.00 0.00 H new ATOM 0 HA LEU A 107 1.841 -6.336 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.893 -6.689 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.924 -6.689 1.268 1.00 0.00 H new ATOM 0 HG LEU A 107 2.659 -4.353 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.700 -3.251 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.134 -4.677 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.084 -4.792 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.639 -3.062 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.942 -4.577 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.423 -4.362 0.933 1.00 0.00 H new ATOM 1308 N ALA A 108 -0.176 -6.860 1.564 1.00 0.00 N ATOM 1309 CA ALA A 108 -1.498 -6.454 1.088 1.00 0.00 C ATOM 1310 C ALA A 108 -2.580 -6.570 2.173 1.00 0.00 C ATOM 1311 O ALA A 108 -3.434 -5.691 2.273 1.00 0.00 O ATOM 1312 CB ALA A 108 -1.852 -7.270 -0.144 1.00 0.00 C ATOM 0 H ALA A 108 0.200 -7.691 1.108 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.459 -5.397 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.837 -6.974 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.111 -7.093 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.863 -8.329 0.112 1.00 0.00 H new ATOM 1318 N ASN A 109 -2.512 -7.585 3.040 1.00 0.00 N ATOM 1319 CA ASN A 109 -3.346 -7.668 4.241 1.00 0.00 C ATOM 1320 C ASN A 109 -3.028 -6.530 5.227 1.00 0.00 C ATOM 1321 O ASN A 109 -3.948 -5.987 5.837 1.00 0.00 O ATOM 1322 CB ASN A 109 -3.174 -9.036 4.928 1.00 0.00 C ATOM 1323 CG ASN A 109 -3.622 -10.231 4.097 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -4.386 -10.133 3.146 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -3.176 -11.413 4.458 1.00 0.00 N ATOM 0 H ASN A 109 -1.875 -8.374 2.928 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.385 -7.560 3.929 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -2.124 -9.166 5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -3.736 -9.030 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -3.467 -12.246 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.539 -11.498 5.250 1.00 0.00 H new ATOM 1331 N ALA A 110 -1.757 -6.124 5.350 1.00 0.00 N ATOM 1332 CA ALA A 110 -1.375 -4.951 6.135 1.00 0.00 C ATOM 1333 C ALA A 110 -2.034 -3.673 5.585 1.00 0.00 C ATOM 1334 O ALA A 110 -2.754 -3.011 6.325 1.00 0.00 O ATOM 1335 CB ALA A 110 0.155 -4.841 6.226 1.00 0.00 C ATOM 0 H ALA A 110 -0.970 -6.600 4.908 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.748 -5.072 7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.422 -3.963 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.556 -5.734 6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 110 0.573 -4.748 5.224 1.00 0.00 H new ATOM 1341 N LEU A 111 -1.895 -3.374 4.283 1.00 0.00 N ATOM 1342 CA LEU A 111 -2.596 -2.250 3.638 1.00 0.00 C ATOM 1343 C LEU A 111 -4.128 -2.361 3.741 1.00 0.00 C ATOM 1344 O LEU A 111 -4.786 -1.340 3.927 1.00 0.00 O ATOM 1345 CB LEU A 111 -2.152 -2.089 2.168 1.00 0.00 C ATOM 1346 CG LEU A 111 -0.737 -1.508 1.977 1.00 0.00 C ATOM 1347 CD1 LEU A 111 -0.370 -1.509 0.491 1.00 0.00 C ATOM 1348 CD2 LEU A 111 -0.627 -0.055 2.450 1.00 0.00 C ATOM 0 H LEU A 111 -1.296 -3.902 3.649 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.311 -1.353 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.198 -3.063 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.866 -1.443 1.657 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.070 -2.136 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.631 -1.097 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.393 -2.530 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.086 -0.900 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.390 0.303 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.322 0.565 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.871 0.002 3.511 1.00 0.00 H new ATOM 1359 N SER A 112 -4.700 -3.571 3.676 1.00 0.00 N ATOM 1360 CA SER A 112 -6.134 -3.821 3.910 1.00 0.00 C ATOM 1361 C SER A 112 -6.571 -3.379 5.310 1.00 0.00 C ATOM 1362 O SER A 112 -7.515 -2.599 5.438 1.00 0.00 O ATOM 1363 CB SER A 112 -6.471 -5.294 3.668 1.00 0.00 C ATOM 1364 OG SER A 112 -7.874 -5.480 3.655 1.00 0.00 O ATOM 0 H SER A 112 -4.175 -4.417 3.457 1.00 0.00 H new ATOM 0 HA SER A 112 -6.693 -3.217 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.045 -5.621 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.023 -5.910 4.448 1.00 0.00 H new ATOM 0 HG SER A 112 -8.077 -6.426 3.498 1.00 0.00 H new ATOM 1369 N ASP A 113 -5.844 -3.788 6.355 1.00 0.00 N ATOM 1370 CA ASP A 113 -6.057 -3.292 7.719 1.00 0.00 C ATOM 1371 C ASP A 113 -5.865 -1.772 7.821 1.00 0.00 C ATOM 1372 O ASP A 113 -6.671 -1.099 8.459 1.00 0.00 O ATOM 1373 CB ASP A 113 -5.133 -4.012 8.719 1.00 0.00 C ATOM 1374 CG ASP A 113 -5.885 -5.050 9.573 1.00 0.00 C ATOM 1375 OD1 ASP A 113 -6.865 -4.674 10.263 1.00 0.00 O ATOM 1376 OD2 ASP A 113 -5.490 -6.241 9.584 1.00 0.00 O ATOM 0 H ASP A 113 -5.091 -4.472 6.279 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.094 -3.512 7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.329 -4.508 8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.667 -3.276 9.374 1.00 0.00 H new ATOM 1380 N SER A 114 -4.843 -1.211 7.173 1.00 0.00 N ATOM 1381 CA SER A 114 -4.544 0.224 7.206 1.00 0.00 C ATOM 1382 C SER A 114 -5.622 1.093 6.541 1.00 0.00 C ATOM 1383 O SER A 114 -5.999 2.127 7.091 1.00 0.00 O ATOM 1384 CB SER A 114 -3.211 0.502 6.520 1.00 0.00 C ATOM 1385 OG SER A 114 -2.162 -0.270 7.059 1.00 0.00 O ATOM 0 H SER A 114 -4.190 -1.747 6.602 1.00 0.00 H new ATOM 0 HA SER A 114 -4.507 0.493 8.262 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.303 0.293 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.968 1.560 6.618 1.00 0.00 H new ATOM 0 HG SER A 114 -2.299 -1.213 6.830 1.00 0.00 H new ATOM 1390 N ALA A 115 -6.149 0.682 5.384 1.00 0.00 N ATOM 1391 CA ALA A 115 -7.226 1.377 4.679 1.00 0.00 C ATOM 1392 C ALA A 115 -8.600 1.167 5.340 1.00 0.00 C ATOM 1393 O ALA A 115 -9.413 2.089 5.375 1.00 0.00 O ATOM 1394 CB ALA A 115 -7.255 0.881 3.237 1.00 0.00 C ATOM 0 H ALA A 115 -5.832 -0.160 4.903 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.025 2.448 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.053 1.388 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.299 1.094 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.435 -0.194 3.226 1.00 0.00 H new ATOM 1400 N ALA A 116 -8.861 -0.014 5.912 1.00 0.00 N ATOM 1401 CA ALA A 116 -10.023 -0.227 6.774 1.00 0.00 C ATOM 1402 C ALA A 116 -9.938 0.641 8.047 1.00 0.00 C ATOM 1403 O ALA A 116 -10.936 1.223 8.472 1.00 0.00 O ATOM 1404 CB ALA A 116 -10.136 -1.721 7.095 1.00 0.00 C ATOM 0 H ALA A 116 -8.276 -0.841 5.790 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.929 0.085 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -11.000 -1.891 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -10.256 -2.284 6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.232 -2.053 7.607 1.00 0.00 H new ATOM 1410 N ASN A 117 -8.737 0.804 8.616 1.00 0.00 N ATOM 1411 CA ASN A 117 -8.451 1.740 9.705 1.00 0.00 C ATOM 1412 C ASN A 117 -8.642 3.214 9.304 1.00 0.00 C ATOM 1413 O ASN A 117 -8.992 4.010 10.166 1.00 0.00 O ATOM 1414 CB ASN A 117 -7.040 1.461 10.257 1.00 0.00 C ATOM 1415 CG ASN A 117 -6.581 2.489 11.278 1.00 0.00 C ATOM 1416 OD1 ASN A 117 -6.885 2.411 12.459 1.00 0.00 O ATOM 1417 ND2 ASN A 117 -5.830 3.484 10.856 1.00 0.00 N ATOM 0 H ASN A 117 -7.917 0.273 8.322 1.00 0.00 H new ATOM 0 HA ASN A 117 -9.182 1.572 10.496 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -7.025 0.472 10.715 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -6.331 1.439 9.429 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -5.502 4.190 11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -5.576 3.549 9.870 1.00 0.00 H new ATOM 1423 N SER A 118 -8.501 3.613 8.036 1.00 0.00 N ATOM 1424 CA SER A 118 -8.822 4.990 7.612 1.00 0.00 C ATOM 1425 C SER A 118 -10.265 5.394 7.960 1.00 0.00 C ATOM 1426 O SER A 118 -10.515 6.541 8.334 1.00 0.00 O ATOM 1427 CB SER A 118 -8.561 5.190 6.118 1.00 0.00 C ATOM 1428 OG SER A 118 -7.220 4.875 5.791 1.00 0.00 O ATOM 0 H SER A 118 -8.169 3.009 7.284 1.00 0.00 H new ATOM 0 HA SER A 118 -8.155 5.644 8.174 1.00 0.00 H new ATOM 0 HB2 SER A 118 -9.238 4.561 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.773 6.223 5.843 1.00 0.00 H new ATOM 0 HG SER A 118 -7.077 5.009 4.831 1.00 0.00 H new