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 18 SER OG : rot 71:sc= 0.253 USER MOD Set 1.2: A 112 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 SER OG : rot 152:sc= 0.281 USER MOD Set 2.2: A 109 ASN : amide:sc= 0.23 K(o=0.51,f=-1.1) USER MOD Single : A 4 SER OG : rot -35:sc= 0.1 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 12 SER OG : rot 87:sc= 0.159 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 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -42:sc= 0.279 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.027) 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= -0.31 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 96 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.27) USER MOD Single : A 99 ASN : amide:sc= -0.0874 X(o=-0.087,f=0) 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 105 SER OG : rot 180:sc= -0.0044 USER MOD Single : A 114 SER OG : rot 74:sc= 0.073 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 10.868 -9.737 -6.571 1.00 0.00 N ATOM 32 CA SER A 4 9.907 -8.624 -6.620 1.00 0.00 C ATOM 33 C SER A 4 8.706 -8.949 -7.513 1.00 0.00 C ATOM 34 O SER A 4 7.586 -8.574 -7.183 1.00 0.00 O ATOM 35 CB SER A 4 10.586 -7.343 -7.117 1.00 0.00 C ATOM 36 OG SER A 4 11.170 -7.560 -8.391 1.00 0.00 O ATOM 0 HA SER A 4 9.544 -8.470 -5.604 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.856 -6.536 -7.176 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.351 -7.029 -6.407 1.00 0.00 H new ATOM 0 HG SER A 4 11.514 -8.476 -8.442 1.00 0.00 H new ATOM 41 N SER A 5 8.906 -9.690 -8.607 1.00 0.00 N ATOM 42 CA SER A 5 7.818 -10.164 -9.471 1.00 0.00 C ATOM 43 C SER A 5 6.929 -11.203 -8.756 1.00 0.00 C ATOM 44 O SER A 5 5.712 -11.142 -8.899 1.00 0.00 O ATOM 45 CB SER A 5 8.387 -10.757 -10.768 1.00 0.00 C ATOM 46 OG SER A 5 7.361 -10.842 -11.750 1.00 0.00 O ATOM 0 H SER A 5 9.832 -9.980 -8.921 1.00 0.00 H new ATOM 0 HA SER A 5 7.193 -9.304 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.204 -10.136 -11.135 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.801 -11.747 -10.575 1.00 0.00 H new ATOM 0 HG SER A 5 7.729 -11.219 -12.576 1.00 0.00 H new ATOM 51 N ALA A 6 7.495 -12.105 -7.939 1.00 0.00 N ATOM 52 CA ALA A 6 6.728 -13.031 -7.100 1.00 0.00 C ATOM 53 C ALA A 6 5.942 -12.291 -5.999 1.00 0.00 C ATOM 54 O ALA A 6 4.744 -12.507 -5.834 1.00 0.00 O ATOM 55 CB ALA A 6 7.682 -14.075 -6.487 1.00 0.00 C ATOM 0 H ALA A 6 8.505 -12.211 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 6 5.993 -13.536 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.114 -14.765 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.175 -14.630 -7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.432 -13.570 -5.879 1.00 0.00 H new ATOM 61 N PHE A 7 6.567 -11.328 -5.318 1.00 0.00 N ATOM 62 CA PHE A 7 5.906 -10.463 -4.344 1.00 0.00 C ATOM 63 C PHE A 7 4.750 -9.700 -5.009 1.00 0.00 C ATOM 64 O PHE A 7 3.613 -9.765 -4.550 1.00 0.00 O ATOM 65 CB PHE A 7 6.949 -9.509 -3.746 1.00 0.00 C ATOM 66 CG PHE A 7 6.440 -8.645 -2.610 1.00 0.00 C ATOM 67 CD1 PHE A 7 6.481 -9.142 -1.291 1.00 0.00 C ATOM 68 CD2 PHE A 7 5.997 -7.326 -2.858 1.00 0.00 C ATOM 69 CE1 PHE A 7 6.154 -8.297 -0.213 1.00 0.00 C ATOM 70 CE2 PHE A 7 5.650 -6.491 -1.778 1.00 0.00 C ATOM 71 CZ PHE A 7 5.755 -6.970 -0.457 1.00 0.00 C ATOM 0 H PHE A 7 7.560 -11.126 -5.431 1.00 0.00 H new ATOM 0 HA PHE A 7 5.476 -11.059 -3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.795 -10.096 -3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.324 -8.860 -4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.763 -10.168 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.925 -6.960 -3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.209 -8.667 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.304 -5.485 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.528 -6.316 0.372 1.00 0.00 H new ATOM 80 N ALA A 8 5.003 -9.064 -6.159 1.00 0.00 N ATOM 81 CA ALA A 8 3.995 -8.391 -6.960 1.00 0.00 C ATOM 82 C ALA A 8 2.916 -9.348 -7.507 1.00 0.00 C ATOM 83 O ALA A 8 1.791 -8.907 -7.662 1.00 0.00 O ATOM 84 CB ALA A 8 4.678 -7.604 -8.084 1.00 0.00 C ATOM 0 H ALA A 8 5.939 -9.006 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 8 3.461 -7.699 -6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.922 -7.099 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.352 -6.864 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.246 -8.288 -8.714 1.00 0.00 H new ATOM 90 N GLN A 9 3.184 -10.632 -7.763 1.00 0.00 N ATOM 91 CA GLN A 9 2.167 -11.605 -8.188 1.00 0.00 C ATOM 92 C GLN A 9 1.129 -11.848 -7.088 1.00 0.00 C ATOM 93 O GLN A 9 -0.062 -11.631 -7.315 1.00 0.00 O ATOM 94 CB GLN A 9 2.824 -12.939 -8.604 1.00 0.00 C ATOM 95 CG GLN A 9 3.244 -12.958 -10.084 1.00 0.00 C ATOM 96 CD GLN A 9 2.099 -13.424 -10.982 1.00 0.00 C ATOM 97 OE1 GLN A 9 1.210 -12.667 -11.353 1.00 0.00 O ATOM 98 NE2 GLN A 9 2.045 -14.690 -11.349 1.00 0.00 N ATOM 0 H GLN A 9 4.119 -11.031 -7.681 1.00 0.00 H new ATOM 0 HA GLN A 9 1.653 -11.183 -9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.699 -13.118 -7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.127 -13.756 -8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.563 -11.960 -10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.101 -13.619 -10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.774 -15.339 -11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.274 -15.020 -11.930 1.00 0.00 H new ATOM 105 N ALA A 10 1.555 -12.252 -5.888 1.00 0.00 N ATOM 106 CA ALA A 10 0.640 -12.471 -4.772 1.00 0.00 C ATOM 107 C ALA A 10 -0.002 -11.157 -4.300 1.00 0.00 C ATOM 108 O ALA A 10 -1.213 -11.104 -4.070 1.00 0.00 O ATOM 109 CB ALA A 10 1.413 -13.119 -3.630 1.00 0.00 C ATOM 0 H ALA A 10 2.534 -12.434 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.168 -13.125 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.743 -13.289 -2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.825 -14.071 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.225 -12.461 -3.320 1.00 0.00 H new ATOM 115 N ALA A 11 0.784 -10.072 -4.226 1.00 0.00 N ATOM 116 CA ALA A 11 0.279 -8.751 -3.913 1.00 0.00 C ATOM 117 C ALA A 11 -0.800 -8.331 -4.925 1.00 0.00 C ATOM 118 O ALA A 11 -1.897 -8.029 -4.490 1.00 0.00 O ATOM 119 CB ALA A 11 1.422 -7.733 -3.831 1.00 0.00 C ATOM 0 H ALA A 11 1.791 -10.100 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.191 -8.781 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.017 -6.749 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.122 -8.034 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.941 -7.691 -4.788 1.00 0.00 H new ATOM 125 N SER A 12 -0.558 -8.378 -6.238 1.00 0.00 N ATOM 126 CA SER A 12 -1.575 -8.107 -7.270 1.00 0.00 C ATOM 127 C SER A 12 -2.780 -9.044 -7.183 1.00 0.00 C ATOM 128 O SER A 12 -3.898 -8.585 -7.395 1.00 0.00 O ATOM 129 CB SER A 12 -0.993 -8.175 -8.686 1.00 0.00 C ATOM 130 OG SER A 12 -0.163 -7.055 -8.930 1.00 0.00 O ATOM 0 H SER A 12 0.358 -8.607 -6.623 1.00 0.00 H new ATOM 0 HA SER A 12 -1.915 -7.091 -7.068 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.420 -9.094 -8.807 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.801 -8.204 -9.417 1.00 0.00 H new ATOM 0 HG SER A 12 0.745 -7.246 -8.614 1.00 0.00 H new ATOM 135 N SER A 13 -2.598 -10.319 -6.822 1.00 0.00 N ATOM 136 CA SER A 13 -3.706 -11.259 -6.618 1.00 0.00 C ATOM 137 C SER A 13 -4.664 -10.768 -5.527 1.00 0.00 C ATOM 138 O SER A 13 -5.881 -10.768 -5.719 1.00 0.00 O ATOM 139 CB SER A 13 -3.184 -12.662 -6.264 1.00 0.00 C ATOM 140 OG SER A 13 -4.039 -13.651 -6.825 1.00 0.00 O ATOM 0 H SER A 13 -1.678 -10.729 -6.663 1.00 0.00 H new ATOM 0 HA SER A 13 -4.255 -11.316 -7.558 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.170 -12.789 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.138 -12.780 -5.181 1.00 0.00 H new ATOM 0 HG SER A 13 -3.701 -14.542 -6.598 1.00 0.00 H new ATOM 145 N SER A 14 -4.124 -10.292 -4.398 1.00 0.00 N ATOM 146 CA SER A 14 -4.902 -9.677 -3.321 1.00 0.00 C ATOM 147 C SER A 14 -5.402 -8.266 -3.699 1.00 0.00 C ATOM 148 O SER A 14 -6.598 -8.022 -3.642 1.00 0.00 O ATOM 149 CB SER A 14 -4.072 -9.662 -2.030 1.00 0.00 C ATOM 150 OG SER A 14 -4.853 -9.185 -0.951 1.00 0.00 O ATOM 0 H SER A 14 -3.123 -10.325 -4.207 1.00 0.00 H new ATOM 0 HA SER A 14 -5.796 -10.278 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.710 -10.666 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.194 -9.029 -2.161 1.00 0.00 H new ATOM 0 HG SER A 14 -4.526 -9.574 -0.113 1.00 0.00 H new ATOM 155 N LEU A 15 -4.532 -7.365 -4.165 1.00 0.00 N ATOM 156 CA LEU A 15 -4.811 -5.964 -4.541 1.00 0.00 C ATOM 157 C LEU A 15 -5.891 -5.832 -5.638 1.00 0.00 C ATOM 158 O LEU A 15 -6.736 -4.943 -5.549 1.00 0.00 O ATOM 159 CB LEU A 15 -3.493 -5.274 -4.983 1.00 0.00 C ATOM 160 CG LEU A 15 -2.473 -5.052 -3.828 1.00 0.00 C ATOM 161 CD1 LEU A 15 -1.018 -4.856 -4.275 1.00 0.00 C ATOM 162 CD2 LEU A 15 -2.837 -3.791 -3.059 1.00 0.00 C ATOM 0 H LEU A 15 -3.550 -7.604 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.215 -5.466 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.022 -5.878 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.733 -4.310 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.533 -5.965 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.385 -4.709 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.683 -5.738 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.951 -3.981 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.121 -3.638 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.812 -2.934 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.838 -3.896 -2.642 1.00 0.00 H new ATOM 173 N ALA A 16 -5.941 -6.744 -6.619 1.00 0.00 N ATOM 174 CA ALA A 16 -6.997 -6.811 -7.632 1.00 0.00 C ATOM 175 C ALA A 16 -8.344 -7.339 -7.073 1.00 0.00 C ATOM 176 O ALA A 16 -9.407 -6.994 -7.595 1.00 0.00 O ATOM 177 CB ALA A 16 -6.511 -7.677 -8.797 1.00 0.00 C ATOM 0 H ALA A 16 -5.233 -7.469 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.197 -5.796 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.290 -7.734 -9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.613 -7.235 -9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.284 -8.680 -8.435 1.00 0.00 H new ATOM 183 N THR A 17 -8.295 -8.154 -6.014 1.00 0.00 N ATOM 184 CA THR A 17 -9.454 -8.630 -5.237 1.00 0.00 C ATOM 185 C THR A 17 -9.943 -7.588 -4.214 1.00 0.00 C ATOM 186 O THR A 17 -11.134 -7.546 -3.897 1.00 0.00 O ATOM 187 CB THR A 17 -9.078 -9.975 -4.580 1.00 0.00 C ATOM 188 OG1 THR A 17 -9.432 -11.024 -5.468 1.00 0.00 O ATOM 189 CG2 THR A 17 -9.718 -10.292 -3.227 1.00 0.00 C ATOM 0 H THR A 17 -7.412 -8.518 -5.657 1.00 0.00 H new ATOM 0 HA THR A 17 -10.301 -8.782 -5.906 1.00 0.00 H new ATOM 0 HB THR A 17 -8.009 -9.887 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.198 -11.886 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.369 -11.264 -2.878 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.439 -9.526 -2.504 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.803 -10.312 -3.333 1.00 0.00 H new ATOM 197 N SER A 18 -9.050 -6.730 -3.706 1.00 0.00 N ATOM 198 CA SER A 18 -9.311 -5.636 -2.766 1.00 0.00 C ATOM 199 C SER A 18 -10.089 -4.481 -3.412 1.00 0.00 C ATOM 200 O SER A 18 -9.529 -3.418 -3.689 1.00 0.00 O ATOM 201 CB SER A 18 -7.998 -5.125 -2.153 1.00 0.00 C ATOM 202 OG SER A 18 -7.404 -6.139 -1.354 1.00 0.00 O ATOM 0 H SER A 18 -8.063 -6.786 -3.957 1.00 0.00 H new ATOM 0 HA SER A 18 -9.940 -6.041 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.311 -4.826 -2.944 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.191 -4.240 -1.547 1.00 0.00 H new ATOM 0 HG SER A 18 -7.060 -6.852 -1.932 1.00 0.00 H new ATOM 207 N SER A 19 -11.390 -4.671 -3.637 1.00 0.00 N ATOM 208 CA SER A 19 -12.292 -3.636 -4.157 1.00 0.00 C ATOM 209 C SER A 19 -12.240 -2.330 -3.354 1.00 0.00 C ATOM 210 O SER A 19 -12.374 -1.264 -3.943 1.00 0.00 O ATOM 211 CB SER A 19 -13.734 -4.156 -4.216 1.00 0.00 C ATOM 212 OG SER A 19 -13.804 -5.342 -4.992 1.00 0.00 O ATOM 0 H SER A 19 -11.856 -5.561 -3.461 1.00 0.00 H new ATOM 0 HA SER A 19 -11.942 -3.405 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.097 -4.353 -3.207 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.384 -3.394 -4.646 1.00 0.00 H new ATOM 0 HG SER A 19 -14.730 -5.662 -5.018 1.00 0.00 H new ATOM 217 N ALA A 20 -11.984 -2.378 -2.040 1.00 0.00 N ATOM 218 CA ALA A 20 -11.761 -1.194 -1.204 1.00 0.00 C ATOM 219 C ALA A 20 -10.519 -0.375 -1.627 1.00 0.00 C ATOM 220 O ALA A 20 -10.570 0.854 -1.639 1.00 0.00 O ATOM 221 CB ALA A 20 -11.644 -1.648 0.259 1.00 0.00 C ATOM 0 H ALA A 20 -11.925 -3.254 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.611 -0.524 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.478 -0.780 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.565 -2.148 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.807 -2.338 0.360 1.00 0.00 H new ATOM 227 N ILE A 21 -9.419 -1.041 -2.001 1.00 0.00 N ATOM 228 CA ILE A 21 -8.198 -0.397 -2.515 1.00 0.00 C ATOM 229 C ILE A 21 -8.454 0.181 -3.916 1.00 0.00 C ATOM 230 O ILE A 21 -8.146 1.344 -4.167 1.00 0.00 O ATOM 231 CB ILE A 21 -7.014 -1.397 -2.502 1.00 0.00 C ATOM 232 CG1 ILE A 21 -6.639 -1.721 -1.039 1.00 0.00 C ATOM 233 CG2 ILE A 21 -5.796 -0.822 -3.250 1.00 0.00 C ATOM 234 CD1 ILE A 21 -5.487 -2.727 -0.890 1.00 0.00 C ATOM 0 H ILE A 21 -9.349 -2.058 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.926 0.433 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.318 -2.310 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.365 -0.795 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.518 -2.115 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.980 -1.544 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.068 -0.617 -4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.477 0.103 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.288 -2.898 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.763 -3.669 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.592 -2.329 -1.368 1.00 0.00 H new ATOM 245 N SER A 22 -9.090 -0.589 -4.805 1.00 0.00 N ATOM 246 CA SER A 22 -9.469 -0.120 -6.144 1.00 0.00 C ATOM 247 C SER A 22 -10.406 1.097 -6.078 1.00 0.00 C ATOM 248 O SER A 22 -10.176 2.091 -6.768 1.00 0.00 O ATOM 249 CB SER A 22 -10.093 -1.269 -6.944 1.00 0.00 C ATOM 250 OG SER A 22 -10.385 -0.856 -8.267 1.00 0.00 O ATOM 0 H SER A 22 -9.357 -1.555 -4.617 1.00 0.00 H new ATOM 0 HA SER A 22 -8.567 0.210 -6.659 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.409 -2.118 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.006 -1.607 -6.453 1.00 0.00 H new ATOM 0 HG SER A 22 -10.781 -1.603 -8.763 1.00 0.00 H new ATOM 255 N ARG A 23 -11.408 1.080 -5.182 1.00 0.00 N ATOM 256 CA ARG A 23 -12.267 2.234 -4.893 1.00 0.00 C ATOM 257 C ARG A 23 -11.503 3.422 -4.317 1.00 0.00 C ATOM 258 O ARG A 23 -11.729 4.529 -4.790 1.00 0.00 O ATOM 259 CB ARG A 23 -13.444 1.854 -3.973 1.00 0.00 C ATOM 260 CG ARG A 23 -14.579 1.179 -4.773 1.00 0.00 C ATOM 261 CD ARG A 23 -15.972 1.686 -4.353 1.00 0.00 C ATOM 262 NE ARG A 23 -16.902 1.737 -5.500 1.00 0.00 N ATOM 263 CZ ARG A 23 -17.508 0.728 -6.103 1.00 0.00 C ATOM 264 NH1 ARG A 23 -17.393 -0.504 -5.691 1.00 0.00 N ATOM 265 NH2 ARG A 23 -18.247 0.947 -7.153 1.00 0.00 N ATOM 0 H ARG A 23 -11.644 0.253 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.667 2.549 -5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.095 1.180 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.825 2.747 -3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.432 1.367 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.529 0.100 -4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.380 1.033 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.881 2.679 -3.914 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.101 2.665 -5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.819 -0.718 -4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.877 -1.254 -6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.358 1.896 -7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.715 0.169 -7.619 1.00 0.00 H new ATOM 276 N ALA A 24 -10.585 3.238 -3.367 1.00 0.00 N ATOM 277 CA ALA A 24 -9.762 4.336 -2.850 1.00 0.00 C ATOM 278 C ALA A 24 -8.925 5.000 -3.966 1.00 0.00 C ATOM 279 O ALA A 24 -8.910 6.227 -4.078 1.00 0.00 O ATOM 280 CB ALA A 24 -8.898 3.822 -1.693 1.00 0.00 C ATOM 0 H ALA A 24 -10.391 2.334 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.414 5.120 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.285 4.636 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.541 3.444 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.252 3.020 -2.050 1.00 0.00 H new ATOM 286 N PHE A 25 -8.302 4.207 -4.849 1.00 0.00 N ATOM 287 CA PHE A 25 -7.564 4.705 -6.014 1.00 0.00 C ATOM 288 C PHE A 25 -8.442 5.409 -7.066 1.00 0.00 C ATOM 289 O PHE A 25 -7.995 6.392 -7.658 1.00 0.00 O ATOM 290 CB PHE A 25 -6.794 3.549 -6.672 1.00 0.00 C ATOM 291 CG PHE A 25 -5.565 3.068 -5.922 1.00 0.00 C ATOM 292 CD1 PHE A 25 -4.649 3.988 -5.363 1.00 0.00 C ATOM 293 CD2 PHE A 25 -5.305 1.682 -5.838 1.00 0.00 C ATOM 294 CE1 PHE A 25 -3.529 3.520 -4.647 1.00 0.00 C ATOM 295 CE2 PHE A 25 -4.161 1.226 -5.157 1.00 0.00 C ATOM 296 CZ PHE A 25 -3.296 2.140 -4.528 1.00 0.00 C ATOM 0 H PHE A 25 -8.297 3.190 -4.772 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.880 5.464 -5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.475 2.707 -6.796 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.489 3.861 -7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.807 5.049 -5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.982 0.975 -6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.849 4.223 -4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.946 0.168 -5.117 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.454 1.781 -3.955 1.00 0.00 H new ATOM 305 N ALA A 26 -9.673 4.943 -7.294 1.00 0.00 N ATOM 306 CA ALA A 26 -10.626 5.605 -8.190 1.00 0.00 C ATOM 307 C ALA A 26 -11.298 6.845 -7.557 1.00 0.00 C ATOM 308 O ALA A 26 -11.729 7.752 -8.272 1.00 0.00 O ATOM 309 CB ALA A 26 -11.665 4.571 -8.636 1.00 0.00 C ATOM 0 H ALA A 26 -10.038 4.094 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.079 5.988 -9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.385 5.043 -9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.165 3.755 -9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.185 4.178 -7.763 1.00 0.00 H new ATOM 315 N SER A 27 -11.400 6.893 -6.223 1.00 0.00 N ATOM 316 CA SER A 27 -11.966 8.006 -5.452 1.00 0.00 C ATOM 317 C SER A 27 -11.105 9.269 -5.557 1.00 0.00 C ATOM 318 O SER A 27 -11.629 10.368 -5.762 1.00 0.00 O ATOM 319 CB SER A 27 -12.112 7.597 -3.978 1.00 0.00 C ATOM 320 OG SER A 27 -12.788 8.602 -3.238 1.00 0.00 O ATOM 0 H SER A 27 -11.078 6.129 -5.629 1.00 0.00 H new ATOM 0 HA SER A 27 -12.945 8.236 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.661 6.658 -3.910 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.127 7.422 -3.546 1.00 0.00 H new ATOM 0 HG SER A 27 -12.871 8.320 -2.303 1.00 0.00 H new ATOM 325 N VAL A 28 -9.777 9.122 -5.472 1.00 0.00 N ATOM 326 CA VAL A 28 -8.836 10.223 -5.731 1.00 0.00 C ATOM 327 C VAL A 28 -8.706 10.532 -7.233 1.00 0.00 C ATOM 328 O VAL A 28 -8.794 9.636 -8.075 1.00 0.00 O ATOM 329 CB VAL A 28 -7.452 9.970 -5.102 1.00 0.00 C ATOM 330 CG1 VAL A 28 -7.586 9.832 -3.578 1.00 0.00 C ATOM 331 CG2 VAL A 28 -6.725 8.747 -5.668 1.00 0.00 C ATOM 0 H VAL A 28 -9.325 8.242 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.260 11.103 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.842 10.836 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.604 9.653 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.005 10.749 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.244 8.995 -3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.759 8.637 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.325 7.854 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.572 8.878 -6.739 1.00 0.00 H new ATOM 341 N SER A 29 -8.458 11.805 -7.553 1.00 0.00 N ATOM 342 CA SER A 29 -8.304 12.324 -8.929 1.00 0.00 C ATOM 343 C SER A 29 -7.130 13.307 -9.073 1.00 0.00 C ATOM 344 O SER A 29 -7.036 14.055 -10.052 1.00 0.00 O ATOM 345 CB SER A 29 -9.633 12.944 -9.392 1.00 0.00 C ATOM 346 OG SER A 29 -10.009 14.028 -8.552 1.00 0.00 O ATOM 0 H SER A 29 -8.354 12.531 -6.845 1.00 0.00 H new ATOM 0 HA SER A 29 -8.055 11.485 -9.579 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.537 13.292 -10.420 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.415 12.185 -9.384 1.00 0.00 H new ATOM 0 HG SER A 29 -10.856 14.407 -8.867 1.00 0.00 H new ATOM 351 N SER A 30 -6.195 13.267 -8.116 1.00 0.00 N ATOM 352 CA SER A 30 -4.984 14.092 -8.038 1.00 0.00 C ATOM 353 C SER A 30 -3.796 13.227 -7.617 1.00 0.00 C ATOM 354 O SER A 30 -3.920 12.412 -6.704 1.00 0.00 O ATOM 355 CB SER A 30 -5.182 15.215 -7.003 1.00 0.00 C ATOM 356 OG SER A 30 -5.500 16.437 -7.650 1.00 0.00 O ATOM 0 H SER A 30 -6.268 12.621 -7.330 1.00 0.00 H new ATOM 0 HA SER A 30 -4.790 14.529 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.980 14.944 -6.312 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.275 15.336 -6.411 1.00 0.00 H new ATOM 0 HG SER A 30 -5.624 17.140 -6.979 1.00 0.00 H new ATOM 361 N ALA A 31 -2.634 13.407 -8.250 1.00 0.00 N ATOM 362 CA ALA A 31 -1.428 12.632 -7.937 1.00 0.00 C ATOM 363 C ALA A 31 -0.981 12.814 -6.471 1.00 0.00 C ATOM 364 O ALA A 31 -0.585 11.842 -5.835 1.00 0.00 O ATOM 365 CB ALA A 31 -0.320 13.019 -8.923 1.00 0.00 C ATOM 0 H ALA A 31 -2.501 14.093 -8.993 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.653 11.571 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.582 12.449 -8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.645 12.800 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.107 14.084 -8.832 1.00 0.00 H new ATOM 371 N SER A 32 -1.124 14.021 -5.910 1.00 0.00 N ATOM 372 CA SER A 32 -0.905 14.298 -4.476 1.00 0.00 C ATOM 373 C SER A 32 -1.973 13.695 -3.556 1.00 0.00 C ATOM 374 O SER A 32 -1.676 13.317 -2.425 1.00 0.00 O ATOM 375 CB SER A 32 -0.841 15.813 -4.221 1.00 0.00 C ATOM 376 OG SER A 32 0.511 16.260 -4.276 1.00 0.00 O ATOM 0 H SER A 32 -1.399 14.847 -6.442 1.00 0.00 H new ATOM 0 HA SER A 32 0.044 13.820 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.438 16.341 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.270 16.044 -3.246 1.00 0.00 H new ATOM 0 HG SER A 32 0.543 17.226 -4.114 1.00 0.00 H new ATOM 381 N ALA A 33 -3.227 13.567 -4.006 1.00 0.00 N ATOM 382 CA ALA A 33 -4.266 12.875 -3.239 1.00 0.00 C ATOM 383 C ALA A 33 -4.000 11.356 -3.209 1.00 0.00 C ATOM 384 O ALA A 33 -4.115 10.739 -2.153 1.00 0.00 O ATOM 385 CB ALA A 33 -5.644 13.200 -3.829 1.00 0.00 C ATOM 0 H ALA A 33 -3.546 13.936 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.246 13.224 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.415 12.684 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.815 14.275 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.682 12.872 -4.868 1.00 0.00 H new ATOM 391 N ALA A 34 -3.572 10.769 -4.330 1.00 0.00 N ATOM 392 CA ALA A 34 -3.122 9.381 -4.398 1.00 0.00 C ATOM 393 C ALA A 34 -1.828 9.162 -3.585 1.00 0.00 C ATOM 394 O ALA A 34 -1.736 8.194 -2.830 1.00 0.00 O ATOM 395 CB ALA A 34 -2.957 9.010 -5.882 1.00 0.00 C ATOM 0 H ALA A 34 -3.529 11.253 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.862 8.722 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.621 7.976 -5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.913 9.122 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.220 9.668 -6.342 1.00 0.00 H new ATOM 401 N SER A 35 -0.853 10.077 -3.653 1.00 0.00 N ATOM 402 CA SER A 35 0.357 10.002 -2.830 1.00 0.00 C ATOM 403 C SER A 35 0.013 10.073 -1.335 1.00 0.00 C ATOM 404 O SER A 35 0.536 9.279 -0.562 1.00 0.00 O ATOM 405 CB SER A 35 1.399 11.058 -3.248 1.00 0.00 C ATOM 406 OG SER A 35 1.227 12.298 -2.583 1.00 0.00 O ATOM 0 H SER A 35 -0.881 10.884 -4.276 1.00 0.00 H new ATOM 0 HA SER A 35 0.821 9.031 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.399 10.676 -3.041 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.335 11.217 -4.324 1.00 0.00 H new ATOM 0 HG SER A 35 0.273 12.517 -2.541 1.00 0.00 H new ATOM 411 N SER A 36 -0.921 10.944 -0.932 1.00 0.00 N ATOM 412 CA SER A 36 -1.400 11.079 0.448 1.00 0.00 C ATOM 413 C SER A 36 -2.225 9.873 0.925 1.00 0.00 C ATOM 414 O SER A 36 -2.051 9.424 2.059 1.00 0.00 O ATOM 415 CB SER A 36 -2.202 12.374 0.595 1.00 0.00 C ATOM 416 OG SER A 36 -2.468 12.648 1.959 1.00 0.00 O ATOM 0 H SER A 36 -1.376 11.592 -1.575 1.00 0.00 H new ATOM 0 HA SER A 36 -0.519 11.115 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.648 13.203 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.140 12.290 0.046 1.00 0.00 H new ATOM 0 HG SER A 36 -2.980 13.480 2.032 1.00 0.00 H new ATOM 421 N LEU A 37 -3.081 9.277 0.079 1.00 0.00 N ATOM 422 CA LEU A 37 -3.794 8.035 0.431 1.00 0.00 C ATOM 423 C LEU A 37 -2.803 6.892 0.659 1.00 0.00 C ATOM 424 O LEU A 37 -2.893 6.208 1.675 1.00 0.00 O ATOM 425 CB LEU A 37 -4.935 7.696 -0.563 1.00 0.00 C ATOM 426 CG LEU A 37 -4.684 6.694 -1.717 1.00 0.00 C ATOM 427 CD1 LEU A 37 -4.700 5.229 -1.298 1.00 0.00 C ATOM 428 CD2 LEU A 37 -5.797 6.815 -2.751 1.00 0.00 C ATOM 0 H LEU A 37 -3.297 9.633 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.307 8.195 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.772 7.314 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.262 8.633 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.693 6.952 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.516 4.600 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.923 5.055 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.673 4.983 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.618 6.109 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.755 6.593 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.814 7.829 -3.150 1.00 0.00 H new ATOM 439 N ALA A 38 -1.817 6.731 -0.235 1.00 0.00 N ATOM 440 CA ALA A 38 -0.783 5.712 -0.114 1.00 0.00 C ATOM 441 C ALA A 38 0.192 6.010 1.038 1.00 0.00 C ATOM 442 O ALA A 38 0.706 5.077 1.649 1.00 0.00 O ATOM 443 CB ALA A 38 -0.054 5.594 -1.456 1.00 0.00 C ATOM 0 H ALA A 38 -1.720 7.313 -1.067 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.250 4.758 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.724 4.834 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.765 5.311 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.398 6.553 -1.710 1.00 0.00 H new ATOM 449 N TYR A 39 0.386 7.284 1.391 1.00 0.00 N ATOM 450 CA TYR A 39 1.077 7.690 2.608 1.00 0.00 C ATOM 451 C TYR A 39 0.301 7.214 3.846 1.00 0.00 C ATOM 452 O TYR A 39 0.853 6.493 4.661 1.00 0.00 O ATOM 453 CB TYR A 39 1.308 9.210 2.618 1.00 0.00 C ATOM 454 CG TYR A 39 2.273 9.702 3.681 1.00 0.00 C ATOM 455 CD1 TYR A 39 3.658 9.536 3.491 1.00 0.00 C ATOM 456 CD2 TYR A 39 1.800 10.369 4.828 1.00 0.00 C ATOM 457 CE1 TYR A 39 4.574 9.990 4.464 1.00 0.00 C ATOM 458 CE2 TYR A 39 2.714 10.860 5.787 1.00 0.00 C ATOM 459 CZ TYR A 39 4.101 10.650 5.615 1.00 0.00 C ATOM 460 OH TYR A 39 4.989 11.104 6.540 1.00 0.00 O ATOM 0 H TYR A 39 0.061 8.070 0.828 1.00 0.00 H new ATOM 0 HA TYR A 39 2.058 7.216 2.635 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.682 9.513 1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.349 9.708 2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.022 9.058 2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.739 10.505 4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.634 9.832 4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.353 11.396 6.652 1.00 0.00 H new ATOM 0 HH TYR A 39 4.505 11.537 7.274 1.00 0.00 H new ATOM 469 N ASN A 40 -0.991 7.520 3.981 1.00 0.00 N ATOM 470 CA ASN A 40 -1.785 7.107 5.149 1.00 0.00 C ATOM 471 C ASN A 40 -1.958 5.579 5.254 1.00 0.00 C ATOM 472 O ASN A 40 -1.764 5.001 6.326 1.00 0.00 O ATOM 473 CB ASN A 40 -3.144 7.839 5.143 1.00 0.00 C ATOM 474 CG ASN A 40 -3.372 8.579 6.452 1.00 0.00 C ATOM 475 OD1 ASN A 40 -3.018 9.742 6.593 1.00 0.00 O ATOM 476 ND2 ASN A 40 -3.933 7.946 7.458 1.00 0.00 N ATOM 0 H ASN A 40 -1.517 8.057 3.291 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.231 7.396 6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.177 8.544 4.312 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.947 7.120 4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.071 8.424 8.348 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.231 6.977 7.348 1.00 0.00 H new ATOM 482 N ILE A 41 -2.284 4.909 4.140 1.00 0.00 N ATOM 483 CA ILE A 41 -2.393 3.449 4.044 1.00 0.00 C ATOM 484 C ILE A 41 -1.039 2.775 4.333 1.00 0.00 C ATOM 485 O ILE A 41 -0.978 1.820 5.109 1.00 0.00 O ATOM 486 CB ILE A 41 -2.997 3.059 2.669 1.00 0.00 C ATOM 487 CG1 ILE A 41 -4.531 3.240 2.755 1.00 0.00 C ATOM 488 CG2 ILE A 41 -2.619 1.650 2.181 1.00 0.00 C ATOM 489 CD1 ILE A 41 -5.260 2.960 1.436 1.00 0.00 C ATOM 0 H ILE A 41 -2.484 5.381 3.258 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.075 3.079 4.809 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.567 3.719 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.924 2.576 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.750 4.260 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.085 1.463 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.536 1.577 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.968 0.910 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.331 3.107 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.896 3.642 0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.072 1.932 1.128 1.00 0.00 H new ATOM 500 N GLY A 42 0.047 3.321 3.784 1.00 0.00 N ATOM 501 CA GLY A 42 1.417 2.869 4.006 1.00 0.00 C ATOM 502 C GLY A 42 1.899 3.101 5.440 1.00 0.00 C ATOM 503 O GLY A 42 2.550 2.219 5.986 1.00 0.00 O ATOM 0 H GLY A 42 -0.008 4.118 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.485 1.806 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.082 3.390 3.317 1.00 0.00 H new ATOM 507 N LEU A 43 1.565 4.233 6.074 1.00 0.00 N ATOM 508 CA LEU A 43 1.874 4.518 7.480 1.00 0.00 C ATOM 509 C LEU A 43 1.206 3.483 8.399 1.00 0.00 C ATOM 510 O LEU A 43 1.894 2.864 9.208 1.00 0.00 O ATOM 511 CB LEU A 43 1.382 5.929 7.876 1.00 0.00 C ATOM 512 CG LEU A 43 2.281 7.124 7.483 1.00 0.00 C ATOM 513 CD1 LEU A 43 1.631 8.410 8.007 1.00 0.00 C ATOM 514 CD2 LEU A 43 3.689 7.039 8.082 1.00 0.00 C ATOM 0 H LEU A 43 1.062 4.991 5.613 1.00 0.00 H new ATOM 0 HA LEU A 43 2.957 4.467 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.400 6.083 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.246 5.949 8.957 1.00 0.00 H new ATOM 0 HG LEU A 43 2.376 7.113 6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.251 9.266 7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.642 8.525 7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.537 8.355 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.270 7.906 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.621 7.021 9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.178 6.129 7.734 1.00 0.00 H new ATOM 525 N SER A 44 -0.105 3.263 8.263 1.00 0.00 N ATOM 526 CA SER A 44 -0.835 2.290 9.092 1.00 0.00 C ATOM 527 C SER A 44 -0.377 0.845 8.857 1.00 0.00 C ATOM 528 O SER A 44 -0.346 0.057 9.803 1.00 0.00 O ATOM 529 CB SER A 44 -2.342 2.436 8.864 1.00 0.00 C ATOM 530 OG SER A 44 -2.782 3.690 9.365 1.00 0.00 O ATOM 0 H SER A 44 -0.689 3.748 7.582 1.00 0.00 H new ATOM 0 HA SER A 44 -0.606 2.514 10.134 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.568 2.359 7.800 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.875 1.627 9.363 1.00 0.00 H new ATOM 0 HG SER A 44 -3.746 3.782 9.216 1.00 0.00 H new ATOM 535 N ALA A 45 0.055 0.488 7.638 1.00 0.00 N ATOM 536 CA ALA A 45 0.656 -0.814 7.357 1.00 0.00 C ATOM 537 C ALA A 45 2.076 -0.936 7.955 1.00 0.00 C ATOM 538 O ALA A 45 2.368 -1.909 8.646 1.00 0.00 O ATOM 539 CB ALA A 45 0.670 -1.034 5.839 1.00 0.00 C ATOM 0 H ALA A 45 -0.005 1.098 6.823 1.00 0.00 H new ATOM 0 HA ALA A 45 0.057 -1.590 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.116 -2.003 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.351 -1.009 5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.255 -0.247 5.363 1.00 0.00 H new ATOM 545 N ALA A 46 2.944 0.057 7.743 1.00 0.00 N ATOM 546 CA ALA A 46 4.287 0.134 8.323 1.00 0.00 C ATOM 547 C ALA A 46 4.257 0.053 9.865 1.00 0.00 C ATOM 548 O ALA A 46 5.069 -0.659 10.460 1.00 0.00 O ATOM 549 CB ALA A 46 4.958 1.413 7.802 1.00 0.00 C ATOM 0 H ALA A 46 2.725 0.854 7.145 1.00 0.00 H new ATOM 0 HA ALA A 46 4.878 -0.727 8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.961 1.494 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.020 1.374 6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.369 2.280 8.101 1.00 0.00 H new ATOM 555 N ARG A 47 3.247 0.664 10.502 1.00 0.00 N ATOM 556 CA ARG A 47 2.932 0.539 11.933 1.00 0.00 C ATOM 557 C ARG A 47 2.563 -0.887 12.363 1.00 0.00 C ATOM 558 O ARG A 47 3.043 -1.332 13.406 1.00 0.00 O ATOM 559 CB ARG A 47 1.799 1.520 12.294 1.00 0.00 C ATOM 560 CG ARG A 47 2.283 2.971 12.512 1.00 0.00 C ATOM 561 CD ARG A 47 3.097 3.162 13.808 1.00 0.00 C ATOM 562 NE ARG A 47 2.395 2.658 15.013 1.00 0.00 N ATOM 563 CZ ARG A 47 1.333 3.178 15.609 1.00 0.00 C ATOM 564 NH1 ARG A 47 0.812 4.318 15.245 1.00 0.00 N ATOM 565 NH2 ARG A 47 0.747 2.538 16.581 1.00 0.00 N ATOM 0 H ARG A 47 2.601 1.284 10.014 1.00 0.00 H new ATOM 0 HA ARG A 47 3.841 0.787 12.481 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.054 1.510 11.498 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.303 1.171 13.200 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.894 3.273 11.661 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.418 3.634 12.535 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.053 2.647 13.709 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.317 4.221 13.939 1.00 0.00 H new ATOM 0 HE ARG A 47 2.775 1.810 15.433 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.224 4.844 14.474 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.007 4.683 15.731 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.106 1.633 16.885 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.071 2.942 17.038 1.00 0.00 H new ATOM 576 N SER A 48 1.770 -1.616 11.572 1.00 0.00 N ATOM 577 CA SER A 48 1.464 -3.034 11.827 1.00 0.00 C ATOM 578 C SER A 48 2.708 -3.926 11.711 1.00 0.00 C ATOM 579 O SER A 48 2.874 -4.841 12.516 1.00 0.00 O ATOM 580 CB SER A 48 0.385 -3.557 10.869 1.00 0.00 C ATOM 581 OG SER A 48 -0.897 -3.102 11.284 1.00 0.00 O ATOM 0 H SER A 48 1.320 -1.243 10.736 1.00 0.00 H new ATOM 0 HA SER A 48 1.094 -3.082 12.851 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.591 -3.214 9.855 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.404 -4.647 10.847 1.00 0.00 H new ATOM 0 HG SER A 48 -1.579 -3.439 10.666 1.00 0.00 H new ATOM 586 N LEU A 49 3.584 -3.689 10.727 1.00 0.00 N ATOM 587 CA LEU A 49 4.847 -4.429 10.562 1.00 0.00 C ATOM 588 C LEU A 49 5.929 -4.001 11.587 1.00 0.00 C ATOM 589 O LEU A 49 6.828 -4.791 11.883 1.00 0.00 O ATOM 590 CB LEU A 49 5.379 -4.236 9.122 1.00 0.00 C ATOM 591 CG LEU A 49 4.729 -5.188 8.086 1.00 0.00 C ATOM 592 CD1 LEU A 49 3.405 -4.642 7.531 1.00 0.00 C ATOM 593 CD2 LEU A 49 5.674 -5.350 6.889 1.00 0.00 C ATOM 0 H LEU A 49 3.438 -2.973 10.016 1.00 0.00 H new ATOM 0 HA LEU A 49 4.632 -5.482 10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.205 -3.205 8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.458 -4.391 9.119 1.00 0.00 H new ATOM 0 HG LEU A 49 4.540 -6.129 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.994 -5.349 6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.697 -4.504 8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.583 -3.685 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.222 -6.019 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.851 -4.377 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.621 -5.770 7.228 1.00 0.00 H new ATOM 604 N GLY A 50 5.847 -2.789 12.152 1.00 0.00 N ATOM 605 CA GLY A 50 6.754 -2.272 13.193 1.00 0.00 C ATOM 606 C GLY A 50 7.980 -1.520 12.652 1.00 0.00 C ATOM 607 O GLY A 50 9.032 -1.506 13.297 1.00 0.00 O ATOM 0 H GLY A 50 5.125 -2.117 11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.193 -1.604 13.847 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.096 -3.106 13.806 1.00 0.00 H new ATOM 611 N ILE A 51 7.884 -0.935 11.454 1.00 0.00 N ATOM 612 CA ILE A 51 8.961 -0.160 10.807 1.00 0.00 C ATOM 613 C ILE A 51 9.377 1.045 11.690 1.00 0.00 C ATOM 614 O ILE A 51 8.536 1.761 12.233 1.00 0.00 O ATOM 615 CB ILE A 51 8.482 0.254 9.383 1.00 0.00 C ATOM 616 CG1 ILE A 51 8.737 -0.825 8.304 1.00 0.00 C ATOM 617 CG2 ILE A 51 9.142 1.530 8.842 1.00 0.00 C ATOM 618 CD1 ILE A 51 8.023 -2.146 8.598 1.00 0.00 C ATOM 0 H ILE A 51 7.036 -0.985 10.889 1.00 0.00 H new ATOM 0 HA ILE A 51 9.860 -0.766 10.697 1.00 0.00 H new ATOM 0 HB ILE A 51 7.415 0.410 9.544 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.407 -0.448 7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.809 -1.007 8.227 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.753 1.747 7.847 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.921 2.364 9.508 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.221 1.386 8.786 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.241 -2.862 7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.371 -2.543 9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.948 -1.975 8.647 1.00 0.00 H new ATOM 629 N ALA A 52 10.686 1.303 11.816 1.00 0.00 N ATOM 630 CA ALA A 52 11.262 2.396 12.617 1.00 0.00 C ATOM 631 C ALA A 52 11.368 3.751 11.860 1.00 0.00 C ATOM 632 O ALA A 52 11.987 4.708 12.341 1.00 0.00 O ATOM 633 CB ALA A 52 12.620 1.920 13.151 1.00 0.00 C ATOM 0 H ALA A 52 11.397 0.740 11.349 1.00 0.00 H new ATOM 0 HA ALA A 52 10.584 2.615 13.442 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.073 2.710 13.750 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.478 1.033 13.768 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.275 1.678 12.314 1.00 0.00 H new ATOM 639 N SER A 53 10.775 3.811 10.664 1.00 0.00 N ATOM 640 CA SER A 53 10.843 4.928 9.712 1.00 0.00 C ATOM 641 C SER A 53 9.579 4.958 8.838 1.00 0.00 C ATOM 642 O SER A 53 9.652 4.941 7.607 1.00 0.00 O ATOM 643 CB SER A 53 12.124 4.836 8.869 1.00 0.00 C ATOM 644 OG SER A 53 12.261 3.561 8.248 1.00 0.00 O ATOM 0 H SER A 53 10.204 3.042 10.314 1.00 0.00 H new ATOM 0 HA SER A 53 10.884 5.868 10.263 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.112 5.613 8.104 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.990 5.026 9.503 1.00 0.00 H new ATOM 0 HG SER A 53 13.086 3.541 7.720 1.00 0.00 H new ATOM 649 N ASP A 54 8.393 4.935 9.468 1.00 0.00 N ATOM 650 CA ASP A 54 7.104 4.849 8.757 1.00 0.00 C ATOM 651 C ASP A 54 6.992 5.968 7.702 1.00 0.00 C ATOM 652 O ASP A 54 6.538 5.735 6.587 1.00 0.00 O ATOM 653 CB ASP A 54 5.908 4.946 9.725 1.00 0.00 C ATOM 654 CG ASP A 54 5.991 3.978 10.911 1.00 0.00 C ATOM 655 OD1 ASP A 54 5.778 2.758 10.721 1.00 0.00 O ATOM 656 OD2 ASP A 54 6.262 4.469 12.035 1.00 0.00 O ATOM 0 H ASP A 54 8.299 4.975 10.483 1.00 0.00 H new ATOM 0 HA ASP A 54 7.074 3.876 8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.842 5.966 10.104 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.989 4.751 9.173 1.00 0.00 H new ATOM 660 N THR A 55 7.495 7.157 8.037 1.00 0.00 N ATOM 661 CA THR A 55 7.633 8.337 7.173 1.00 0.00 C ATOM 662 C THR A 55 8.427 8.083 5.883 1.00 0.00 C ATOM 663 O THR A 55 8.079 8.638 4.841 1.00 0.00 O ATOM 664 CB THR A 55 8.331 9.467 7.951 1.00 0.00 C ATOM 665 OG1 THR A 55 9.565 9.002 8.477 1.00 0.00 O ATOM 666 CG2 THR A 55 7.502 9.946 9.146 1.00 0.00 C ATOM 0 H THR A 55 7.840 7.336 8.980 1.00 0.00 H new ATOM 0 HA THR A 55 6.619 8.608 6.879 1.00 0.00 H new ATOM 0 HB THR A 55 8.468 10.286 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.005 9.726 8.969 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.036 10.743 9.663 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.541 10.321 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.338 9.115 9.832 1.00 0.00 H new ATOM 674 N ALA A 56 9.469 7.249 5.926 1.00 0.00 N ATOM 675 CA ALA A 56 10.286 6.883 4.774 1.00 0.00 C ATOM 676 C ALA A 56 9.644 5.763 3.938 1.00 0.00 C ATOM 677 O ALA A 56 9.659 5.837 2.711 1.00 0.00 O ATOM 678 CB ALA A 56 11.680 6.465 5.253 1.00 0.00 C ATOM 0 H ALA A 56 9.773 6.799 6.789 1.00 0.00 H new ATOM 0 HA ALA A 56 10.365 7.755 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.293 6.191 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.147 7.296 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.593 5.611 5.924 1.00 0.00 H new ATOM 684 N LEU A 57 9.044 4.758 4.585 1.00 0.00 N ATOM 685 CA LEU A 57 8.312 3.677 3.915 1.00 0.00 C ATOM 686 C LEU A 57 7.095 4.269 3.172 1.00 0.00 C ATOM 687 O LEU A 57 7.007 4.201 1.949 1.00 0.00 O ATOM 688 CB LEU A 57 7.917 2.616 4.971 1.00 0.00 C ATOM 689 CG LEU A 57 7.551 1.204 4.464 1.00 0.00 C ATOM 690 CD1 LEU A 57 6.423 1.166 3.434 1.00 0.00 C ATOM 691 CD2 LEU A 57 8.760 0.483 3.872 1.00 0.00 C ATOM 0 H LEU A 57 9.053 4.671 5.601 1.00 0.00 H new ATOM 0 HA LEU A 57 8.932 3.182 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.745 2.517 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.067 3.002 5.533 1.00 0.00 H new ATOM 0 HG LEU A 57 7.196 0.694 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.236 0.134 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.517 1.587 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.710 1.749 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.460 -0.507 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.151 1.057 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.533 0.383 4.634 1.00 0.00 H new ATOM 702 N ALA A 58 6.203 4.941 3.901 1.00 0.00 N ATOM 703 CA ALA A 58 5.042 5.632 3.365 1.00 0.00 C ATOM 704 C ALA A 58 5.433 6.754 2.384 1.00 0.00 C ATOM 705 O ALA A 58 4.738 6.955 1.393 1.00 0.00 O ATOM 706 CB ALA A 58 4.244 6.187 4.547 1.00 0.00 C ATOM 0 H ALA A 58 6.277 5.018 4.915 1.00 0.00 H new ATOM 0 HA ALA A 58 4.437 4.931 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.364 6.713 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.932 5.366 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.867 6.878 5.115 1.00 0.00 H new ATOM 712 N GLY A 59 6.543 7.467 2.619 1.00 0.00 N ATOM 713 CA GLY A 59 7.067 8.485 1.702 1.00 0.00 C ATOM 714 C GLY A 59 7.523 7.892 0.362 1.00 0.00 C ATOM 715 O GLY A 59 7.186 8.432 -0.692 1.00 0.00 O ATOM 0 H GLY A 59 7.107 7.351 3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.298 9.236 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.906 8.996 2.173 1.00 0.00 H new ATOM 719 N ALA A 60 8.215 6.749 0.375 1.00 0.00 N ATOM 720 CA ALA A 60 8.536 5.999 -0.832 1.00 0.00 C ATOM 721 C ALA A 60 7.264 5.520 -1.560 1.00 0.00 C ATOM 722 O ALA A 60 7.202 5.618 -2.783 1.00 0.00 O ATOM 723 CB ALA A 60 9.466 4.836 -0.469 1.00 0.00 C ATOM 0 H ALA A 60 8.568 6.320 1.230 1.00 0.00 H new ATOM 0 HA ALA A 60 9.054 6.654 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.710 4.271 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.382 5.227 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.968 4.182 0.247 1.00 0.00 H new ATOM 729 N LEU A 61 6.238 5.051 -0.836 1.00 0.00 N ATOM 730 CA LEU A 61 4.936 4.689 -1.420 1.00 0.00 C ATOM 731 C LEU A 61 4.207 5.888 -2.050 1.00 0.00 C ATOM 732 O LEU A 61 3.659 5.774 -3.146 1.00 0.00 O ATOM 733 CB LEU A 61 4.050 4.003 -0.359 1.00 0.00 C ATOM 734 CG LEU A 61 4.603 2.651 0.151 1.00 0.00 C ATOM 735 CD1 LEU A 61 3.624 2.053 1.159 1.00 0.00 C ATOM 736 CD2 LEU A 61 4.815 1.661 -0.993 1.00 0.00 C ATOM 0 H LEU A 61 6.286 4.911 0.173 1.00 0.00 H new ATOM 0 HA LEU A 61 5.133 3.990 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.930 4.677 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.058 3.841 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 61 5.569 2.837 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.011 1.100 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.503 2.737 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.659 1.894 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.204 0.724 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.865 1.476 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.527 2.076 -1.706 1.00 0.00 H new ATOM 747 N ALA A 62 4.249 7.052 -1.401 1.00 0.00 N ATOM 748 CA ALA A 62 3.717 8.300 -1.928 1.00 0.00 C ATOM 749 C ALA A 62 4.414 8.693 -3.251 1.00 0.00 C ATOM 750 O ALA A 62 3.739 8.952 -4.247 1.00 0.00 O ATOM 751 CB ALA A 62 3.860 9.381 -0.844 1.00 0.00 C ATOM 0 H ALA A 62 4.664 7.151 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 62 2.661 8.184 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.467 10.326 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.302 9.082 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.912 9.502 -0.588 1.00 0.00 H new ATOM 757 N GLN A 63 5.752 8.683 -3.275 1.00 0.00 N ATOM 758 CA GLN A 63 6.557 8.966 -4.471 1.00 0.00 C ATOM 759 C GLN A 63 6.325 7.926 -5.588 1.00 0.00 C ATOM 760 O GLN A 63 6.267 8.288 -6.763 1.00 0.00 O ATOM 761 CB GLN A 63 8.049 9.025 -4.083 1.00 0.00 C ATOM 762 CG GLN A 63 8.371 10.201 -3.128 1.00 0.00 C ATOM 763 CD GLN A 63 9.295 11.261 -3.730 1.00 0.00 C ATOM 764 OE1 GLN A 63 9.166 11.676 -4.878 1.00 0.00 O ATOM 765 NE2 GLN A 63 10.268 11.754 -2.991 1.00 0.00 N ATOM 0 H GLN A 63 6.316 8.475 -2.451 1.00 0.00 H new ATOM 0 HA GLN A 63 6.244 9.931 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.334 8.087 -3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.652 9.120 -4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.437 10.677 -2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.832 9.804 -2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.397 11.427 -2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.892 12.463 -3.376 1.00 0.00 H new ATOM 772 N ALA A 64 6.143 6.644 -5.242 1.00 0.00 N ATOM 773 CA ALA A 64 5.845 5.568 -6.186 1.00 0.00 C ATOM 774 C ALA A 64 4.485 5.757 -6.882 1.00 0.00 C ATOM 775 O ALA A 64 4.399 5.697 -8.109 1.00 0.00 O ATOM 776 CB ALA A 64 5.897 4.236 -5.432 1.00 0.00 C ATOM 0 H ALA A 64 6.201 6.323 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 64 6.592 5.581 -6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.677 3.420 -6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.892 4.096 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.159 4.243 -4.630 1.00 0.00 H new ATOM 782 N VAL A 65 3.428 6.031 -6.110 1.00 0.00 N ATOM 783 CA VAL A 65 2.087 6.335 -6.631 1.00 0.00 C ATOM 784 C VAL A 65 2.084 7.622 -7.473 1.00 0.00 C ATOM 785 O VAL A 65 1.509 7.642 -8.564 1.00 0.00 O ATOM 786 CB VAL A 65 1.089 6.403 -5.459 1.00 0.00 C ATOM 787 CG1 VAL A 65 -0.249 7.038 -5.839 1.00 0.00 C ATOM 788 CG2 VAL A 65 0.810 4.977 -4.967 1.00 0.00 C ATOM 0 H VAL A 65 3.479 6.049 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 65 1.776 5.536 -7.304 1.00 0.00 H new ATOM 0 HB VAL A 65 1.546 7.026 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.904 7.054 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.082 8.057 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.716 6.455 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.105 5.010 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.386 4.388 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.741 4.518 -4.634 1.00 0.00 H new ATOM 798 N GLY A 66 2.800 8.658 -7.030 1.00 0.00 N ATOM 799 CA GLY A 66 3.051 9.881 -7.801 1.00 0.00 C ATOM 800 C GLY A 66 3.808 9.639 -9.121 1.00 0.00 C ATOM 801 O GLY A 66 3.710 10.462 -10.031 1.00 0.00 O ATOM 0 H GLY A 66 3.231 8.672 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.098 10.362 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.624 10.576 -7.187 1.00 0.00 H new ATOM 805 N GLY A 67 4.518 8.510 -9.254 1.00 0.00 N ATOM 806 CA GLY A 67 5.227 8.092 -10.467 1.00 0.00 C ATOM 807 C GLY A 67 4.286 7.791 -11.643 1.00 0.00 C ATOM 808 O GLY A 67 4.560 8.210 -12.768 1.00 0.00 O ATOM 0 H GLY A 67 4.617 7.840 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.926 8.876 -10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.819 7.203 -10.247 1.00 0.00 H new ATOM 812 N VAL A 68 3.154 7.122 -11.389 1.00 0.00 N ATOM 813 CA VAL A 68 2.077 6.935 -12.388 1.00 0.00 C ATOM 814 C VAL A 68 1.214 8.199 -12.491 1.00 0.00 C ATOM 815 O VAL A 68 0.913 8.660 -13.597 1.00 0.00 O ATOM 816 CB VAL A 68 1.200 5.710 -12.042 1.00 0.00 C ATOM 817 CG1 VAL A 68 0.080 5.500 -13.071 1.00 0.00 C ATOM 818 CG2 VAL A 68 2.028 4.416 -12.026 1.00 0.00 C ATOM 0 H VAL A 68 2.952 6.692 -10.486 1.00 0.00 H new ATOM 0 HA VAL A 68 2.545 6.751 -13.355 1.00 0.00 H new ATOM 0 HB VAL A 68 0.780 5.918 -11.058 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.513 4.629 -12.791 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.560 6.382 -13.097 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.517 5.340 -14.057 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.382 3.574 -11.779 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.473 4.257 -13.008 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.817 4.498 -11.279 1.00 0.00 H new ATOM 828 N GLY A 69 0.852 8.789 -11.340 1.00 0.00 N ATOM 829 CA GLY A 69 -0.049 9.945 -11.259 1.00 0.00 C ATOM 830 C GLY A 69 -1.526 9.599 -11.538 1.00 0.00 C ATOM 831 O GLY A 69 -1.849 8.504 -11.995 1.00 0.00 O ATOM 0 H GLY A 69 1.182 8.471 -10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.030 10.388 -10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.279 10.701 -11.972 1.00 0.00 H new ATOM 835 N ALA A 70 -2.437 10.521 -11.213 1.00 0.00 N ATOM 836 CA ALA A 70 -3.886 10.303 -11.283 1.00 0.00 C ATOM 837 C ALA A 70 -4.404 9.965 -12.696 1.00 0.00 C ATOM 838 O ALA A 70 -3.814 10.362 -13.706 1.00 0.00 O ATOM 839 CB ALA A 70 -4.604 11.525 -10.695 1.00 0.00 C ATOM 0 H ALA A 70 -2.185 11.455 -10.889 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.111 9.416 -10.690 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.682 11.372 -10.743 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.302 11.659 -9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.338 12.414 -11.268 1.00 0.00 H new ATOM 845 N GLY A 71 -5.550 9.273 -12.760 1.00 0.00 N ATOM 846 CA GLY A 71 -6.194 8.855 -14.013 1.00 0.00 C ATOM 847 C GLY A 71 -5.605 7.559 -14.598 1.00 0.00 C ATOM 848 O GLY A 71 -5.360 7.477 -15.806 1.00 0.00 O ATOM 0 H GLY A 71 -6.064 8.983 -11.928 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.260 8.714 -13.836 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.096 9.654 -14.748 1.00 0.00 H new ATOM 852 N ALA A 72 -5.364 6.559 -13.742 1.00 0.00 N ATOM 853 CA ALA A 72 -4.795 5.255 -14.096 1.00 0.00 C ATOM 854 C ALA A 72 -5.505 4.092 -13.370 1.00 0.00 C ATOM 855 O ALA A 72 -6.267 4.296 -12.419 1.00 0.00 O ATOM 856 CB ALA A 72 -3.298 5.290 -13.766 1.00 0.00 C ATOM 0 H ALA A 72 -5.568 6.640 -12.746 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.942 5.072 -15.160 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.847 4.331 -14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.817 6.081 -14.342 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.164 5.484 -12.702 1.00 0.00 H new ATOM 862 N SER A 73 -5.250 2.863 -13.827 1.00 0.00 N ATOM 863 CA SER A 73 -5.803 1.623 -13.255 1.00 0.00 C ATOM 864 C SER A 73 -5.391 1.431 -11.790 1.00 0.00 C ATOM 865 O SER A 73 -4.264 1.761 -11.417 1.00 0.00 O ATOM 866 CB SER A 73 -5.305 0.407 -14.055 1.00 0.00 C ATOM 867 OG SER A 73 -5.514 0.597 -15.448 1.00 0.00 O ATOM 0 H SER A 73 -4.638 2.694 -14.625 1.00 0.00 H new ATOM 0 HA SER A 73 -6.889 1.706 -13.308 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.244 0.248 -13.861 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.828 -0.490 -13.724 1.00 0.00 H new ATOM 0 HG SER A 73 -5.189 -0.187 -15.938 1.00 0.00 H new ATOM 872 N ALA A 74 -6.243 0.800 -10.973 1.00 0.00 N ATOM 873 CA ALA A 74 -5.886 0.395 -9.609 1.00 0.00 C ATOM 874 C ALA A 74 -4.615 -0.476 -9.585 1.00 0.00 C ATOM 875 O ALA A 74 -3.729 -0.248 -8.763 1.00 0.00 O ATOM 876 CB ALA A 74 -7.072 -0.330 -8.969 1.00 0.00 C ATOM 0 H ALA A 74 -7.197 0.556 -11.239 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.659 1.289 -9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.810 -0.632 -7.955 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.933 0.338 -8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.320 -1.213 -9.558 1.00 0.00 H new ATOM 882 N SER A 75 -4.488 -1.407 -10.542 1.00 0.00 N ATOM 883 CA SER A 75 -3.291 -2.226 -10.748 1.00 0.00 C ATOM 884 C SER A 75 -2.023 -1.389 -10.968 1.00 0.00 C ATOM 885 O SER A 75 -0.976 -1.755 -10.452 1.00 0.00 O ATOM 886 CB SER A 75 -3.505 -3.186 -11.925 1.00 0.00 C ATOM 887 OG SER A 75 -2.376 -4.027 -12.101 1.00 0.00 O ATOM 0 H SER A 75 -5.233 -1.614 -11.207 1.00 0.00 H new ATOM 0 HA SER A 75 -3.135 -2.795 -9.832 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.393 -3.793 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.685 -2.616 -12.837 1.00 0.00 H new ATOM 0 HG SER A 75 -2.533 -4.632 -12.855 1.00 0.00 H new ATOM 892 N ALA A 76 -2.080 -0.238 -11.653 1.00 0.00 N ATOM 893 CA ALA A 76 -0.898 0.597 -11.887 1.00 0.00 C ATOM 894 C ALA A 76 -0.336 1.188 -10.573 1.00 0.00 C ATOM 895 O ALA A 76 0.863 1.085 -10.319 1.00 0.00 O ATOM 896 CB ALA A 76 -1.237 1.694 -12.902 1.00 0.00 C ATOM 0 H ALA A 76 -2.939 0.136 -12.056 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.108 -0.031 -12.299 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.357 2.314 -13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.549 1.237 -13.841 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.046 2.312 -12.513 1.00 0.00 H new ATOM 902 N TYR A 77 -1.191 1.736 -9.704 1.00 0.00 N ATOM 903 CA TYR A 77 -0.783 2.228 -8.378 1.00 0.00 C ATOM 904 C TYR A 77 -0.381 1.070 -7.446 1.00 0.00 C ATOM 905 O TYR A 77 0.644 1.156 -6.769 1.00 0.00 O ATOM 906 CB TYR A 77 -1.931 2.984 -7.706 1.00 0.00 C ATOM 907 CG TYR A 77 -2.603 4.056 -8.537 1.00 0.00 C ATOM 908 CD1 TYR A 77 -1.894 5.200 -8.960 1.00 0.00 C ATOM 909 CD2 TYR A 77 -3.972 3.922 -8.841 1.00 0.00 C ATOM 910 CE1 TYR A 77 -2.572 6.225 -9.651 1.00 0.00 C ATOM 911 CE2 TYR A 77 -4.654 4.943 -9.525 1.00 0.00 C ATOM 912 CZ TYR A 77 -3.955 6.100 -9.920 1.00 0.00 C ATOM 913 OH TYR A 77 -4.638 7.093 -10.545 1.00 0.00 O ATOM 0 H TYR A 77 -2.186 1.852 -9.897 1.00 0.00 H new ATOM 0 HA TYR A 77 0.070 2.887 -8.538 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.688 2.260 -7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.550 3.445 -6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.837 5.290 -8.756 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.501 3.028 -8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.036 7.105 -9.975 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.706 4.841 -9.746 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.577 6.831 -10.646 1.00 0.00 H new ATOM 922 N ALA A 78 -1.175 -0.013 -7.419 1.00 0.00 N ATOM 923 CA ALA A 78 -0.953 -1.193 -6.603 1.00 0.00 C ATOM 924 C ALA A 78 0.373 -1.901 -6.957 1.00 0.00 C ATOM 925 O ALA A 78 1.126 -2.290 -6.072 1.00 0.00 O ATOM 926 CB ALA A 78 -2.169 -2.121 -6.796 1.00 0.00 C ATOM 0 H ALA A 78 -2.017 -0.082 -7.990 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.858 -0.910 -5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.038 -3.022 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.075 -1.604 -6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.255 -2.395 -7.848 1.00 0.00 H new ATOM 932 N ASN A 79 0.723 -1.948 -8.241 1.00 0.00 N ATOM 933 CA ASN A 79 2.000 -2.429 -8.754 1.00 0.00 C ATOM 934 C ASN A 79 3.129 -1.455 -8.392 1.00 0.00 C ATOM 935 O ASN A 79 4.141 -1.898 -7.867 1.00 0.00 O ATOM 936 CB ASN A 79 1.877 -2.634 -10.277 1.00 0.00 C ATOM 937 CG ASN A 79 3.104 -3.213 -10.969 1.00 0.00 C ATOM 938 OD1 ASN A 79 4.025 -3.748 -10.369 1.00 0.00 O ATOM 939 ND2 ASN A 79 3.156 -3.132 -12.280 1.00 0.00 N ATOM 0 H ASN A 79 0.095 -1.638 -8.983 1.00 0.00 H new ATOM 0 HA ASN A 79 2.253 -3.385 -8.294 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.030 -3.293 -10.469 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.644 -1.673 -10.736 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.957 -3.513 -12.783 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.395 -2.688 -12.794 1.00 0.00 H new ATOM 945 N ALA A 80 2.966 -0.136 -8.582 1.00 0.00 N ATOM 946 CA ALA A 80 3.973 0.847 -8.168 1.00 0.00 C ATOM 947 C ALA A 80 4.299 0.744 -6.661 1.00 0.00 C ATOM 948 O ALA A 80 5.469 0.735 -6.284 1.00 0.00 O ATOM 949 CB ALA A 80 3.498 2.251 -8.556 1.00 0.00 C ATOM 0 H ALA A 80 2.142 0.273 -9.022 1.00 0.00 H new ATOM 0 HA ALA A 80 4.906 0.634 -8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.244 2.985 -8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.360 2.303 -9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.552 2.466 -8.058 1.00 0.00 H new ATOM 955 N ILE A 81 3.278 0.587 -5.809 1.00 0.00 N ATOM 956 CA ILE A 81 3.397 0.269 -4.384 1.00 0.00 C ATOM 957 C ILE A 81 4.108 -1.072 -4.172 1.00 0.00 C ATOM 958 O ILE A 81 5.098 -1.118 -3.449 1.00 0.00 O ATOM 959 CB ILE A 81 2.004 0.299 -3.712 1.00 0.00 C ATOM 960 CG1 ILE A 81 1.567 1.776 -3.557 1.00 0.00 C ATOM 961 CG2 ILE A 81 1.970 -0.451 -2.366 1.00 0.00 C ATOM 962 CD1 ILE A 81 0.129 1.904 -3.061 1.00 0.00 C ATOM 0 H ILE A 81 2.307 0.682 -6.108 1.00 0.00 H new ATOM 0 HA ILE A 81 4.014 1.030 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 81 1.298 -0.232 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.236 2.280 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.665 2.285 -4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.967 -0.395 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.239 -1.495 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.680 0.006 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.131 2.958 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.545 1.425 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.035 1.420 -2.089 1.00 0.00 H new ATOM 973 N ALA A 82 3.681 -2.151 -4.831 1.00 0.00 N ATOM 974 CA ALA A 82 4.294 -3.472 -4.696 1.00 0.00 C ATOM 975 C ALA A 82 5.754 -3.520 -5.197 1.00 0.00 C ATOM 976 O ALA A 82 6.531 -4.316 -4.678 1.00 0.00 O ATOM 977 CB ALA A 82 3.421 -4.515 -5.402 1.00 0.00 C ATOM 0 H ALA A 82 2.893 -2.131 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 82 4.347 -3.704 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.878 -5.500 -5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.430 -4.527 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.334 -4.261 -6.459 1.00 0.00 H new ATOM 983 N ARG A 83 6.152 -2.660 -6.145 1.00 0.00 N ATOM 984 CA ARG A 83 7.547 -2.472 -6.573 1.00 0.00 C ATOM 985 C ARG A 83 8.346 -1.631 -5.581 1.00 0.00 C ATOM 986 O ARG A 83 9.481 -1.985 -5.290 1.00 0.00 O ATOM 987 CB ARG A 83 7.631 -1.808 -7.960 1.00 0.00 C ATOM 988 CG ARG A 83 7.049 -2.666 -9.102 1.00 0.00 C ATOM 989 CD ARG A 83 7.955 -2.673 -10.348 1.00 0.00 C ATOM 990 NE ARG A 83 7.198 -2.431 -11.589 1.00 0.00 N ATOM 991 CZ ARG A 83 7.710 -2.236 -12.793 1.00 0.00 C ATOM 992 NH1 ARG A 83 8.986 -2.365 -13.028 1.00 0.00 N ATOM 993 NH2 ARG A 83 6.949 -1.896 -13.792 1.00 0.00 N ATOM 0 H ARG A 83 5.498 -2.061 -6.648 1.00 0.00 H new ATOM 0 HA ARG A 83 7.980 -3.471 -6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.101 -0.856 -7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.675 -1.585 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.910 -3.688 -8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.064 -2.286 -9.374 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.725 -1.909 -10.239 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.466 -3.633 -10.418 1.00 0.00 H new ATOM 0 HE ARG A 83 6.181 -2.412 -11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.620 -2.623 -12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.350 -2.208 -13.968 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.946 -1.777 -13.651 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.356 -1.748 -14.716 1.00 0.00 H new ATOM 1004 N ALA A 84 7.789 -0.547 -5.039 1.00 0.00 N ATOM 1005 CA ALA A 84 8.476 0.302 -4.068 1.00 0.00 C ATOM 1006 C ALA A 84 8.635 -0.398 -2.704 1.00 0.00 C ATOM 1007 O ALA A 84 9.751 -0.498 -2.197 1.00 0.00 O ATOM 1008 CB ALA A 84 7.714 1.620 -3.954 1.00 0.00 C ATOM 0 H ALA A 84 6.845 -0.233 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 84 9.490 0.503 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.213 2.267 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.690 2.111 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.695 1.423 -3.621 1.00 0.00 H new ATOM 1014 N ALA A 85 7.551 -0.961 -2.157 1.00 0.00 N ATOM 1015 CA ALA A 85 7.592 -1.868 -1.013 1.00 0.00 C ATOM 1016 C ALA A 85 8.463 -3.094 -1.325 1.00 0.00 C ATOM 1017 O ALA A 85 9.320 -3.436 -0.522 1.00 0.00 O ATOM 1018 CB ALA A 85 6.167 -2.297 -0.633 1.00 0.00 C ATOM 0 H ALA A 85 6.607 -0.794 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 85 8.037 -1.345 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.206 -2.973 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.579 -1.417 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.703 -2.806 -1.478 1.00 0.00 H new ATOM 1024 N GLY A 86 8.308 -3.722 -2.497 1.00 0.00 N ATOM 1025 CA GLY A 86 9.113 -4.868 -2.929 1.00 0.00 C ATOM 1026 C GLY A 86 10.619 -4.573 -2.946 1.00 0.00 C ATOM 1027 O GLY A 86 11.383 -5.354 -2.395 1.00 0.00 O ATOM 0 H GLY A 86 7.607 -3.442 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.921 -5.710 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.797 -5.171 -3.927 1.00 0.00 H new ATOM 1031 N GLN A 87 11.054 -3.433 -3.495 1.00 0.00 N ATOM 1032 CA GLN A 87 12.445 -2.968 -3.435 1.00 0.00 C ATOM 1033 C GLN A 87 12.901 -2.715 -1.989 1.00 0.00 C ATOM 1034 O GLN A 87 14.011 -3.103 -1.623 1.00 0.00 O ATOM 1035 CB GLN A 87 12.618 -1.689 -4.274 1.00 0.00 C ATOM 1036 CG GLN A 87 12.735 -1.999 -5.782 1.00 0.00 C ATOM 1037 CD GLN A 87 12.825 -0.735 -6.638 1.00 0.00 C ATOM 1038 OE1 GLN A 87 13.330 0.306 -6.229 1.00 0.00 O ATOM 1039 NE2 GLN A 87 12.340 -0.754 -7.861 1.00 0.00 N ATOM 0 H GLN A 87 10.439 -2.797 -4.002 1.00 0.00 H new ATOM 0 HA GLN A 87 13.072 -3.758 -3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.769 -1.027 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.509 -1.156 -3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.618 -2.614 -5.955 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.872 -2.585 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.914 -1.605 -8.228 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.390 0.083 -8.442 1.00 0.00 H new ATOM 1046 N PHE A 88 12.054 -2.109 -1.153 1.00 0.00 N ATOM 1047 CA PHE A 88 12.344 -1.894 0.268 1.00 0.00 C ATOM 1048 C PHE A 88 12.553 -3.237 1.003 1.00 0.00 C ATOM 1049 O PHE A 88 13.551 -3.418 1.701 1.00 0.00 O ATOM 1050 CB PHE A 88 11.225 -1.049 0.909 1.00 0.00 C ATOM 1051 CG PHE A 88 11.700 -0.124 2.014 1.00 0.00 C ATOM 1052 CD1 PHE A 88 12.116 -0.650 3.260 1.00 0.00 C ATOM 1053 CD2 PHE A 88 11.708 1.275 1.802 1.00 0.00 C ATOM 1054 CE1 PHE A 88 12.539 0.226 4.284 1.00 0.00 C ATOM 1055 CE2 PHE A 88 12.122 2.142 2.836 1.00 0.00 C ATOM 1056 CZ PHE A 88 12.542 1.625 4.080 1.00 0.00 C ATOM 0 H PHE A 88 11.144 -1.752 -1.443 1.00 0.00 H new ATOM 0 HA PHE A 88 13.278 -1.340 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.745 -0.453 0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.465 -1.718 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.110 -1.717 3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.398 1.679 0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.863 -0.177 5.232 1.00 0.00 H new ATOM 0 HE2 PHE A 88 12.117 3.210 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.862 2.291 4.868 1.00 0.00 H new ATOM 1065 N LEU A 89 11.650 -4.205 0.812 1.00 0.00 N ATOM 1066 CA LEU A 89 11.730 -5.533 1.426 1.00 0.00 C ATOM 1067 C LEU A 89 12.825 -6.417 0.777 1.00 0.00 C ATOM 1068 O LEU A 89 13.351 -7.309 1.441 1.00 0.00 O ATOM 1069 CB LEU A 89 10.337 -6.198 1.430 1.00 0.00 C ATOM 1070 CG LEU A 89 9.210 -5.430 2.166 1.00 0.00 C ATOM 1071 CD1 LEU A 89 8.055 -6.379 2.519 1.00 0.00 C ATOM 1072 CD2 LEU A 89 9.669 -4.764 3.467 1.00 0.00 C ATOM 0 H LEU A 89 10.830 -4.085 0.217 1.00 0.00 H new ATOM 0 HA LEU A 89 12.041 -5.415 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.028 -6.350 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.431 -7.185 1.883 1.00 0.00 H new ATOM 0 HG LEU A 89 8.894 -4.651 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.272 -5.823 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.649 -6.814 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.423 -7.175 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.828 -4.245 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.045 -5.524 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.461 -4.048 3.249 1.00 0.00 H new ATOM 1083 N ALA A 90 13.253 -6.147 -0.464 1.00 0.00 N ATOM 1084 CA ALA A 90 14.441 -6.742 -1.079 1.00 0.00 C ATOM 1085 C ALA A 90 15.728 -6.265 -0.376 1.00 0.00 C ATOM 1086 O ALA A 90 16.526 -7.100 0.053 1.00 0.00 O ATOM 1087 CB ALA A 90 14.488 -6.404 -2.578 1.00 0.00 C ATOM 0 H ALA A 90 12.770 -5.493 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 90 14.379 -7.824 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.376 -6.852 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.598 -6.798 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.524 -5.322 -2.706 1.00 0.00 H new ATOM 1093 N THR A 91 15.929 -4.944 -0.230 1.00 0.00 N ATOM 1094 CA THR A 91 17.133 -4.398 0.432 1.00 0.00 C ATOM 1095 C THR A 91 17.193 -4.732 1.934 1.00 0.00 C ATOM 1096 O THR A 91 18.273 -4.997 2.467 1.00 0.00 O ATOM 1097 CB THR A 91 17.324 -2.896 0.150 1.00 0.00 C ATOM 1098 OG1 THR A 91 18.588 -2.463 0.616 1.00 0.00 O ATOM 1099 CG2 THR A 91 16.277 -1.979 0.779 1.00 0.00 C ATOM 0 H THR A 91 15.276 -4.233 -0.560 1.00 0.00 H new ATOM 0 HA THR A 91 17.985 -4.907 -0.019 1.00 0.00 H new ATOM 0 HB THR A 91 17.226 -2.815 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.696 -1.507 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.499 -0.943 0.522 1.00 0.00 H new ATOM 0 HG22 THR A 91 15.289 -2.242 0.402 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.295 -2.096 1.863 1.00 0.00 H new ATOM 1107 N GLN A 92 16.040 -4.829 2.609 1.00 0.00 N ATOM 1108 CA GLN A 92 15.938 -5.334 3.987 1.00 0.00 C ATOM 1109 C GLN A 92 16.163 -6.860 4.117 1.00 0.00 C ATOM 1110 O GLN A 92 16.238 -7.372 5.236 1.00 0.00 O ATOM 1111 CB GLN A 92 14.570 -4.949 4.587 1.00 0.00 C ATOM 1112 CG GLN A 92 14.416 -3.438 4.848 1.00 0.00 C ATOM 1113 CD GLN A 92 15.468 -2.880 5.804 1.00 0.00 C ATOM 1114 OE1 GLN A 92 15.594 -3.299 6.948 1.00 0.00 O ATOM 1115 NE2 GLN A 92 16.273 -1.925 5.388 1.00 0.00 N ATOM 0 H GLN A 92 15.142 -4.556 2.210 1.00 0.00 H new ATOM 0 HA GLN A 92 16.746 -4.861 4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.781 -5.275 3.910 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.429 -5.488 5.524 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.477 -2.904 3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.424 -3.246 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.185 -1.562 4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.984 -1.549 6.015 1.00 0.00 H new ATOM 1122 N GLY A 93 16.265 -7.610 3.009 1.00 0.00 N ATOM 1123 CA GLY A 93 16.440 -9.070 3.003 1.00 0.00 C ATOM 1124 C GLY A 93 15.193 -9.857 3.445 1.00 0.00 C ATOM 1125 O GLY A 93 15.281 -11.060 3.689 1.00 0.00 O ATOM 0 H GLY A 93 16.227 -7.209 2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.719 -9.387 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.270 -9.328 3.660 1.00 0.00 H new ATOM 1129 N VAL A 94 14.034 -9.197 3.558 1.00 0.00 N ATOM 1130 CA VAL A 94 12.732 -9.806 3.882 1.00 0.00 C ATOM 1131 C VAL A 94 12.237 -10.676 2.722 1.00 0.00 C ATOM 1132 O VAL A 94 11.673 -11.741 2.963 1.00 0.00 O ATOM 1133 CB VAL A 94 11.704 -8.701 4.233 1.00 0.00 C ATOM 1134 CG1 VAL A 94 10.237 -9.179 4.267 1.00 0.00 C ATOM 1135 CG2 VAL A 94 12.038 -8.130 5.614 1.00 0.00 C ATOM 0 H VAL A 94 13.972 -8.188 3.422 1.00 0.00 H new ATOM 0 HA VAL A 94 12.851 -10.453 4.751 1.00 0.00 H new ATOM 0 HB VAL A 94 11.783 -7.960 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.587 -8.341 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.959 -9.571 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.127 -9.963 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.319 -7.351 5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.991 -8.925 6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 94 13.042 -7.706 5.599 1.00 0.00 H new ATOM 1145 N LEU A 95 12.498 -10.281 1.470 1.00 0.00 N ATOM 1146 CA LEU A 95 12.257 -11.154 0.305 1.00 0.00 C ATOM 1147 C LEU A 95 13.302 -12.280 0.235 1.00 0.00 C ATOM 1148 O LEU A 95 14.509 -12.039 0.131 1.00 0.00 O ATOM 1149 CB LEU A 95 12.239 -10.335 -1.002 1.00 0.00 C ATOM 1150 CG LEU A 95 11.090 -9.311 -1.077 1.00 0.00 C ATOM 1151 CD1 LEU A 95 11.063 -8.656 -2.454 1.00 0.00 C ATOM 1152 CD2 LEU A 95 9.708 -9.931 -0.863 1.00 0.00 C ATOM 0 H LEU A 95 12.876 -9.364 1.233 1.00 0.00 H new ATOM 0 HA LEU A 95 11.277 -11.614 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.189 -9.810 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 95 12.160 -11.019 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 95 11.286 -8.595 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.248 -7.934 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.010 -8.146 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.912 -9.420 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.946 -9.154 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.525 -10.685 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.667 -10.397 0.122 1.00 0.00 H new ATOM 1163 N ASN A 96 12.822 -13.524 0.308 1.00 0.00 N ATOM 1164 CA ASN A 96 13.589 -14.757 0.359 1.00 0.00 C ATOM 1165 C ASN A 96 12.828 -15.913 -0.331 1.00 0.00 C ATOM 1166 O ASN A 96 11.602 -15.939 -0.327 1.00 0.00 O ATOM 1167 CB ASN A 96 13.929 -15.065 1.836 1.00 0.00 C ATOM 1168 CG ASN A 96 12.754 -14.963 2.814 1.00 0.00 C ATOM 1169 OD1 ASN A 96 11.604 -15.256 2.511 1.00 0.00 O ATOM 1170 ND2 ASN A 96 13.010 -14.528 4.023 1.00 0.00 N ATOM 0 H ASN A 96 11.818 -13.701 0.334 1.00 0.00 H new ATOM 0 HA ASN A 96 14.522 -14.643 -0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.342 -16.072 1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 96 14.712 -14.380 2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 96 12.255 -14.436 4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.964 -14.281 4.285 1.00 0.00 H new ATOM 1176 N ALA A 97 13.538 -16.885 -0.905 1.00 0.00 N ATOM 1177 CA ALA A 97 12.925 -18.022 -1.619 1.00 0.00 C ATOM 1178 C ALA A 97 12.012 -18.908 -0.733 1.00 0.00 C ATOM 1179 O ALA A 97 11.236 -19.721 -1.239 1.00 0.00 O ATOM 1180 CB ALA A 97 14.041 -18.839 -2.283 1.00 0.00 C ATOM 0 H ALA A 97 14.558 -16.912 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 97 12.252 -17.617 -2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.605 -19.684 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.585 -18.208 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 97 14.727 -19.206 -1.519 1.00 0.00 H new ATOM 1186 N VAL A 98 12.062 -18.735 0.601 1.00 0.00 N ATOM 1187 CA VAL A 98 11.148 -19.331 1.588 1.00 0.00 C ATOM 1188 C VAL A 98 9.680 -19.048 1.232 1.00 0.00 C ATOM 1189 O VAL A 98 8.872 -19.980 1.199 1.00 0.00 O ATOM 1190 CB VAL A 98 11.454 -18.785 3.004 1.00 0.00 C ATOM 1191 CG1 VAL A 98 10.576 -19.425 4.096 1.00 0.00 C ATOM 1192 CG2 VAL A 98 12.926 -19.001 3.403 1.00 0.00 C ATOM 0 H VAL A 98 12.774 -18.149 1.038 1.00 0.00 H new ATOM 0 HA VAL A 98 11.304 -20.410 1.574 1.00 0.00 H new ATOM 0 HB VAL A 98 11.233 -17.719 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.837 -19.002 5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.526 -19.224 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 98 10.743 -20.502 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 98 13.094 -18.602 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 98 13.153 -20.067 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 98 13.574 -18.487 2.694 1.00 0.00 H new ATOM 1202 N ASN A 99 9.348 -17.779 0.953 1.00 0.00 N ATOM 1203 CA ASN A 99 7.986 -17.323 0.640 1.00 0.00 C ATOM 1204 C ASN A 99 7.899 -15.865 0.108 1.00 0.00 C ATOM 1205 O ASN A 99 6.911 -15.200 0.399 1.00 0.00 O ATOM 1206 CB ASN A 99 7.017 -17.601 1.826 1.00 0.00 C ATOM 1207 CG ASN A 99 7.492 -17.198 3.219 1.00 0.00 C ATOM 1208 OD1 ASN A 99 7.185 -17.861 4.199 1.00 0.00 O ATOM 1209 ND2 ASN A 99 8.253 -16.145 3.410 1.00 0.00 N ATOM 0 H ASN A 99 10.034 -17.025 0.938 1.00 0.00 H new ATOM 0 HA ASN A 99 7.654 -17.924 -0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.079 -17.083 1.625 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.796 -18.668 1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.566 -15.906 4.351 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.531 -15.566 2.618 1.00 0.00 H new ATOM 1215 N ALA A 100 8.882 -15.350 -0.653 1.00 0.00 N ATOM 1216 CA ALA A 100 8.847 -14.012 -1.277 1.00 0.00 C ATOM 1217 C ALA A 100 7.538 -13.759 -2.059 1.00 0.00 C ATOM 1218 O ALA A 100 7.012 -12.647 -2.027 1.00 0.00 O ATOM 1219 CB ALA A 100 10.058 -13.844 -2.209 1.00 0.00 C ATOM 0 H ALA A 100 9.741 -15.862 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 100 8.888 -13.275 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.030 -12.856 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.978 -13.950 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.027 -14.607 -2.987 1.00 0.00 H new ATOM 1225 N SER A 101 6.958 -14.798 -2.675 1.00 0.00 N ATOM 1226 CA SER A 101 5.621 -14.727 -3.270 1.00 0.00 C ATOM 1227 C SER A 101 4.574 -14.459 -2.182 1.00 0.00 C ATOM 1228 O SER A 101 3.984 -13.387 -2.158 1.00 0.00 O ATOM 1229 CB SER A 101 5.303 -16.015 -4.057 1.00 0.00 C ATOM 1230 OG SER A 101 4.201 -15.787 -4.913 1.00 0.00 O ATOM 0 H SER A 101 7.404 -15.710 -2.774 1.00 0.00 H new ATOM 0 HA SER A 101 5.593 -13.898 -3.978 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.172 -16.321 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.079 -16.829 -3.367 1.00 0.00 H new ATOM 0 HG SER A 101 4.001 -16.605 -5.414 1.00 0.00 H new ATOM 1235 N SER A 102 4.382 -15.382 -1.229 1.00 0.00 N ATOM 1236 CA SER A 102 3.325 -15.283 -0.202 1.00 0.00 C ATOM 1237 C SER A 102 3.433 -14.024 0.689 1.00 0.00 C ATOM 1238 O SER A 102 2.414 -13.477 1.111 1.00 0.00 O ATOM 1239 CB SER A 102 3.332 -16.545 0.664 1.00 0.00 C ATOM 1240 OG SER A 102 2.017 -16.890 1.053 1.00 0.00 O ATOM 0 H SER A 102 4.955 -16.222 -1.145 1.00 0.00 H new ATOM 0 HA SER A 102 2.380 -15.191 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.781 -17.370 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.948 -16.382 1.549 1.00 0.00 H new ATOM 0 HG SER A 102 2.041 -17.700 1.604 1.00 0.00 H new ATOM 1245 N LEU A 103 4.646 -13.508 0.940 1.00 0.00 N ATOM 1246 CA LEU A 103 4.864 -12.218 1.614 1.00 0.00 C ATOM 1247 C LEU A 103 4.262 -11.022 0.850 1.00 0.00 C ATOM 1248 O LEU A 103 3.902 -10.027 1.478 1.00 0.00 O ATOM 1249 CB LEU A 103 6.371 -11.987 1.840 1.00 0.00 C ATOM 1250 CG LEU A 103 6.989 -12.919 2.901 1.00 0.00 C ATOM 1251 CD1 LEU A 103 8.489 -12.645 2.986 1.00 0.00 C ATOM 1252 CD2 LEU A 103 6.391 -12.717 4.300 1.00 0.00 C ATOM 0 H LEU A 103 5.512 -13.979 0.678 1.00 0.00 H new ATOM 0 HA LEU A 103 4.344 -12.276 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.897 -12.127 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.530 -10.952 2.142 1.00 0.00 H new ATOM 0 HG LEU A 103 6.775 -13.941 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.937 -13.299 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.949 -12.835 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.653 -11.605 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.867 -13.402 5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.561 -11.690 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.320 -12.916 4.270 1.00 0.00 H new ATOM 1263 N GLY A 104 4.087 -11.122 -0.472 1.00 0.00 N ATOM 1264 CA GLY A 104 3.328 -10.163 -1.275 1.00 0.00 C ATOM 1265 C GLY A 104 1.867 -10.072 -0.837 1.00 0.00 C ATOM 1266 O GLY A 104 1.364 -8.973 -0.610 1.00 0.00 O ATOM 0 H GLY A 104 4.477 -11.887 -1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.791 -9.179 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.373 -10.454 -2.324 1.00 0.00 H new ATOM 1270 N SER A 105 1.201 -11.214 -0.636 1.00 0.00 N ATOM 1271 CA SER A 105 -0.123 -11.256 -0.002 1.00 0.00 C ATOM 1272 C SER A 105 -0.093 -10.756 1.444 1.00 0.00 C ATOM 1273 O SER A 105 -1.019 -10.060 1.845 1.00 0.00 O ATOM 1274 CB SER A 105 -0.733 -12.661 -0.042 1.00 0.00 C ATOM 1275 OG SER A 105 -1.308 -12.901 -1.317 1.00 0.00 O ATOM 0 H SER A 105 1.560 -12.130 -0.906 1.00 0.00 H new ATOM 0 HA SER A 105 -0.750 -10.583 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.034 -13.406 0.167 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.492 -12.760 0.734 1.00 0.00 H new ATOM 0 HG SER A 105 -1.695 -13.801 -1.337 1.00 0.00 H new ATOM 1280 N ALA A 106 0.957 -11.037 2.228 1.00 0.00 N ATOM 1281 CA ALA A 106 1.067 -10.521 3.597 1.00 0.00 C ATOM 1282 C ALA A 106 1.092 -8.974 3.645 1.00 0.00 C ATOM 1283 O ALA A 106 0.348 -8.372 4.421 1.00 0.00 O ATOM 1284 CB ALA A 106 2.294 -11.134 4.287 1.00 0.00 C ATOM 0 H ALA A 106 1.742 -11.619 1.936 1.00 0.00 H new ATOM 0 HA ALA A 106 0.173 -10.821 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.371 -10.747 5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.190 -12.219 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.194 -10.872 3.730 1.00 0.00 H new ATOM 1290 N LEU A 107 1.891 -8.318 2.793 1.00 0.00 N ATOM 1291 CA LEU A 107 1.955 -6.852 2.714 1.00 0.00 C ATOM 1292 C LEU A 107 0.687 -6.263 2.061 1.00 0.00 C ATOM 1293 O LEU A 107 0.139 -5.290 2.574 1.00 0.00 O ATOM 1294 CB LEU A 107 3.258 -6.449 1.985 1.00 0.00 C ATOM 1295 CG LEU A 107 3.785 -5.011 2.200 1.00 0.00 C ATOM 1296 CD1 LEU A 107 3.011 -3.946 1.432 1.00 0.00 C ATOM 1297 CD2 LEU A 107 3.852 -4.604 3.671 1.00 0.00 C ATOM 0 H LEU A 107 2.513 -8.790 2.137 1.00 0.00 H new ATOM 0 HA LEU A 107 1.982 -6.428 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.042 -7.143 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.103 -6.593 0.916 1.00 0.00 H new ATOM 0 HG LEU A 107 4.797 -5.055 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.442 -2.966 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.069 -4.153 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.968 -3.956 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.230 -3.585 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.855 -4.656 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.519 -5.280 4.206 1.00 0.00 H new ATOM 1308 N ALA A 108 0.153 -6.879 1.001 1.00 0.00 N ATOM 1309 CA ALA A 108 -1.126 -6.478 0.412 1.00 0.00 C ATOM 1310 C ALA A 108 -2.294 -6.576 1.414 1.00 0.00 C ATOM 1311 O ALA A 108 -3.134 -5.681 1.448 1.00 0.00 O ATOM 1312 CB ALA A 108 -1.397 -7.319 -0.835 1.00 0.00 C ATOM 0 H ALA A 108 0.595 -7.668 0.529 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.054 -5.427 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.349 -7.022 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.598 -7.163 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.437 -8.373 -0.561 1.00 0.00 H new ATOM 1318 N ASN A 109 -2.324 -7.599 2.271 1.00 0.00 N ATOM 1319 CA ASN A 109 -3.300 -7.717 3.355 1.00 0.00 C ATOM 1320 C ASN A 109 -3.092 -6.643 4.435 1.00 0.00 C ATOM 1321 O ASN A 109 -4.077 -6.118 4.956 1.00 0.00 O ATOM 1322 CB ASN A 109 -3.257 -9.135 3.959 1.00 0.00 C ATOM 1323 CG ASN A 109 -3.806 -10.229 3.049 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -4.271 -10.015 1.935 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -3.803 -11.463 3.513 1.00 0.00 N ATOM 0 H ASN A 109 -1.665 -8.376 2.231 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.291 -7.549 2.933 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -2.225 -9.376 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -3.824 -9.137 4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.184 -12.222 2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.420 -11.659 4.438 1.00 0.00 H new ATOM 1331 N ALA A 110 -1.843 -6.263 4.752 1.00 0.00 N ATOM 1332 CA ALA A 110 -1.551 -5.149 5.653 1.00 0.00 C ATOM 1333 C ALA A 110 -2.062 -3.803 5.092 1.00 0.00 C ATOM 1334 O ALA A 110 -2.736 -3.059 5.806 1.00 0.00 O ATOM 1335 CB ALA A 110 -0.043 -5.107 5.942 1.00 0.00 C ATOM 0 H ALA A 110 -1.010 -6.724 4.387 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.085 -5.311 6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.176 -4.277 6.614 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.264 -6.043 6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 110 0.503 -4.972 5.008 1.00 0.00 H new ATOM 1341 N LEU A 111 -1.811 -3.508 3.809 1.00 0.00 N ATOM 1342 CA LEU A 111 -2.358 -2.328 3.125 1.00 0.00 C ATOM 1343 C LEU A 111 -3.887 -2.403 2.985 1.00 0.00 C ATOM 1344 O LEU A 111 -4.547 -1.378 3.107 1.00 0.00 O ATOM 1345 CB LEU A 111 -1.707 -2.152 1.741 1.00 0.00 C ATOM 1346 CG LEU A 111 -0.183 -1.897 1.786 1.00 0.00 C ATOM 1347 CD1 LEU A 111 0.356 -2.011 0.361 1.00 0.00 C ATOM 1348 CD2 LEU A 111 0.229 -0.511 2.300 1.00 0.00 C ATOM 0 H LEU A 111 -1.219 -4.086 3.212 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.123 -1.461 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.897 -3.045 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.189 -1.319 1.229 1.00 0.00 H new ATOM 0 HG LEU A 111 0.221 -2.633 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.432 -1.835 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.153 -3.009 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.131 -1.270 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.316 -0.429 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.196 0.258 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.139 -0.376 3.317 1.00 0.00 H new ATOM 1359 N SER A 112 -4.461 -3.592 2.781 1.00 0.00 N ATOM 1360 CA SER A 112 -5.913 -3.821 2.759 1.00 0.00 C ATOM 1361 C SER A 112 -6.567 -3.529 4.111 1.00 0.00 C ATOM 1362 O SER A 112 -7.609 -2.877 4.150 1.00 0.00 O ATOM 1363 CB SER A 112 -6.223 -5.258 2.317 1.00 0.00 C ATOM 1364 OG SER A 112 -7.617 -5.446 2.166 1.00 0.00 O ATOM 0 H SER A 112 -3.920 -4.442 2.623 1.00 0.00 H new ATOM 0 HA SER A 112 -6.337 -3.124 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.718 -5.471 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.834 -5.962 3.053 1.00 0.00 H new ATOM 0 HG SER A 112 -7.794 -6.367 1.883 1.00 0.00 H new ATOM 1369 N ASP A 113 -5.939 -3.922 5.224 1.00 0.00 N ATOM 1370 CA ASP A 113 -6.360 -3.529 6.571 1.00 0.00 C ATOM 1371 C ASP A 113 -6.404 -1.998 6.700 1.00 0.00 C ATOM 1372 O ASP A 113 -7.417 -1.439 7.122 1.00 0.00 O ATOM 1373 CB ASP A 113 -5.421 -4.137 7.639 1.00 0.00 C ATOM 1374 CG ASP A 113 -6.084 -5.160 8.589 1.00 0.00 C ATOM 1375 OD1 ASP A 113 -7.342 -5.303 8.621 1.00 0.00 O ATOM 1376 OD2 ASP A 113 -5.348 -5.820 9.345 1.00 0.00 O ATOM 0 H ASP A 113 -5.118 -4.527 5.214 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.365 -3.917 6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.587 -4.622 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.003 -3.327 8.237 1.00 0.00 H new ATOM 1380 N SER A 114 -5.346 -1.304 6.269 1.00 0.00 N ATOM 1381 CA SER A 114 -5.295 0.160 6.265 1.00 0.00 C ATOM 1382 C SER A 114 -6.304 0.807 5.305 1.00 0.00 C ATOM 1383 O SER A 114 -6.849 1.855 5.630 1.00 0.00 O ATOM 1384 CB SER A 114 -3.901 0.655 5.887 1.00 0.00 C ATOM 1385 OG SER A 114 -2.894 0.050 6.671 1.00 0.00 O ATOM 0 H SER A 114 -4.498 -1.744 5.912 1.00 0.00 H new ATOM 0 HA SER A 114 -5.553 0.457 7.282 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.715 0.445 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.855 1.737 6.010 1.00 0.00 H new ATOM 0 HG SER A 114 -2.765 -0.877 6.380 1.00 0.00 H new ATOM 1390 N ALA A 115 -6.577 0.213 4.141 1.00 0.00 N ATOM 1391 CA ALA A 115 -7.520 0.721 3.144 1.00 0.00 C ATOM 1392 C ALA A 115 -8.981 0.592 3.603 1.00 0.00 C ATOM 1393 O ALA A 115 -9.758 1.546 3.520 1.00 0.00 O ATOM 1394 CB ALA A 115 -7.305 -0.052 1.841 1.00 0.00 C ATOM 0 H ALA A 115 -6.134 -0.661 3.858 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.332 1.785 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.999 0.312 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.282 0.094 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.481 -1.114 2.014 1.00 0.00 H new ATOM 1400 N ALA A 116 -9.339 -0.573 4.147 1.00 0.00 N ATOM 1401 CA ALA A 116 -10.617 -0.799 4.807 1.00 0.00 C ATOM 1402 C ALA A 116 -10.782 0.141 6.018 1.00 0.00 C ATOM 1403 O ALA A 116 -11.848 0.728 6.202 1.00 0.00 O ATOM 1404 CB ALA A 116 -10.694 -2.279 5.200 1.00 0.00 C ATOM 0 H ALA A 116 -8.736 -1.396 4.139 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.442 -0.569 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -11.644 -2.474 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -10.619 -2.897 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.874 -2.519 5.877 1.00 0.00 H new ATOM 1410 N ASN A 117 -9.715 0.358 6.799 1.00 0.00 N ATOM 1411 CA ASN A 117 -9.695 1.332 7.890 1.00 0.00 C ATOM 1412 C ASN A 117 -9.790 2.795 7.403 1.00 0.00 C ATOM 1413 O ASN A 117 -10.415 3.616 8.068 1.00 0.00 O ATOM 1414 CB ASN A 117 -8.465 1.081 8.771 1.00 0.00 C ATOM 1415 CG ASN A 117 -8.518 1.871 10.067 1.00 0.00 C ATOM 1416 OD1 ASN A 117 -9.453 1.763 10.850 1.00 0.00 O ATOM 1417 ND2 ASN A 117 -7.525 2.684 10.351 1.00 0.00 N ATOM 0 H ASN A 117 -8.835 -0.145 6.687 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.593 1.187 8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -8.394 0.017 8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -7.564 1.350 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -7.537 3.220 11.219 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -6.743 2.779 9.703 1.00 0.00 H new ATOM 1423 N SER A 118 -9.251 3.138 6.227 1.00 0.00 N ATOM 1424 CA SER A 118 -9.450 4.444 5.582 1.00 0.00 C ATOM 1425 C SER A 118 -10.929 4.692 5.232 1.00 0.00 C ATOM 1426 O SER A 118 -11.451 5.780 5.486 1.00 0.00 O ATOM 1427 CB SER A 118 -8.577 4.576 4.318 1.00 0.00 C ATOM 1428 OG SER A 118 -7.376 5.272 4.619 1.00 0.00 O ATOM 0 H SER A 118 -8.656 2.509 5.688 1.00 0.00 H new ATOM 0 HA SER A 118 -9.144 5.203 6.302 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.343 3.587 3.924 1.00 0.00 H new ATOM 0 HB3 SER A 118 -9.128 5.106 3.541 1.00 0.00 H new ATOM 0 HG SER A 118 -6.830 5.348 3.809 1.00 0.00 H new