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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 114 SER OG : rot 78:sc= 0.0545 USER MOD Set 2.1: A 18 SER OG : rot 70:sc= 0.363 USER MOD Set 2.2: A 112 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 14 SER OG : rot -139:sc= 0.108 USER MOD Set 3.2: A 105 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 109 ASN : amide:sc= 0.0247 K(o=0.13,f=-0.71) USER MOD Single : A 4 SER OG : rot -24:sc= 0.0447 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 12 SER OG : rot 86:sc= 0.0847 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 180:sc= -0.152 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= -0.0172 K(o=-0.017,f=-0.92) 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) 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 30:sc= -0.0963 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0213 X(o=-0.021,f=-0.21) USER MOD Single : A 91 THR OG1 : rot -2:sc= 0.223 USER MOD Single : A 92 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.17) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.011) 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 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 10.076 -9.651 -7.390 1.00 0.00 N ATOM 32 CA SER A 4 9.109 -8.543 -7.307 1.00 0.00 C ATOM 33 C SER A 4 7.825 -8.803 -8.107 1.00 0.00 C ATOM 34 O SER A 4 6.747 -8.433 -7.649 1.00 0.00 O ATOM 35 CB SER A 4 9.747 -7.222 -7.751 1.00 0.00 C ATOM 36 OG SER A 4 10.198 -7.313 -9.093 1.00 0.00 O ATOM 0 HA SER A 4 8.823 -8.471 -6.258 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.023 -6.413 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.583 -6.977 -7.096 1.00 0.00 H new ATOM 0 HG SER A 4 10.360 -8.252 -9.321 1.00 0.00 H new ATOM 41 N SER A 5 7.901 -9.506 -9.245 1.00 0.00 N ATOM 42 CA SER A 5 6.731 -9.937 -10.027 1.00 0.00 C ATOM 43 C SER A 5 5.830 -10.913 -9.264 1.00 0.00 C ATOM 44 O SER A 5 4.608 -10.806 -9.342 1.00 0.00 O ATOM 45 CB SER A 5 7.161 -10.616 -11.335 1.00 0.00 C ATOM 46 OG SER A 5 8.130 -9.843 -12.029 1.00 0.00 O ATOM 0 H SER A 5 8.789 -9.796 -9.655 1.00 0.00 H new ATOM 0 HA SER A 5 6.168 -9.027 -10.232 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.570 -11.603 -11.117 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.289 -10.766 -11.972 1.00 0.00 H new ATOM 0 HG SER A 5 8.384 -10.303 -12.856 1.00 0.00 H new ATOM 51 N ALA A 6 6.409 -11.851 -8.502 1.00 0.00 N ATOM 52 CA ALA A 6 5.657 -12.814 -7.694 1.00 0.00 C ATOM 53 C ALA A 6 5.067 -12.147 -6.441 1.00 0.00 C ATOM 54 O ALA A 6 3.893 -12.337 -6.128 1.00 0.00 O ATOM 55 CB ALA A 6 6.571 -13.987 -7.326 1.00 0.00 C ATOM 0 H ALA A 6 7.420 -11.962 -8.430 1.00 0.00 H new ATOM 0 HA ALA A 6 4.817 -13.191 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.015 -14.706 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.925 -14.472 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.424 -13.619 -6.755 1.00 0.00 H new ATOM 61 N PHE A 7 5.850 -11.294 -5.771 1.00 0.00 N ATOM 62 CA PHE A 7 5.381 -10.436 -4.681 1.00 0.00 C ATOM 63 C PHE A 7 4.180 -9.591 -5.136 1.00 0.00 C ATOM 64 O PHE A 7 3.120 -9.615 -4.513 1.00 0.00 O ATOM 65 CB PHE A 7 6.556 -9.561 -4.223 1.00 0.00 C ATOM 66 CG PHE A 7 6.298 -8.715 -2.994 1.00 0.00 C ATOM 67 CD1 PHE A 7 5.749 -7.422 -3.114 1.00 0.00 C ATOM 68 CD2 PHE A 7 6.662 -9.203 -1.728 1.00 0.00 C ATOM 69 CE1 PHE A 7 5.587 -6.619 -1.972 1.00 0.00 C ATOM 70 CE2 PHE A 7 6.519 -8.395 -0.589 1.00 0.00 C ATOM 71 CZ PHE A 7 5.992 -7.101 -0.716 1.00 0.00 C ATOM 0 H PHE A 7 6.843 -11.180 -5.975 1.00 0.00 H new ATOM 0 HA PHE A 7 5.036 -11.040 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.412 -10.207 -4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.837 -8.902 -5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.453 -7.049 -4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.054 -10.205 -1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.152 -5.634 -2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.813 -8.768 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.897 -6.472 0.157 1.00 0.00 H new ATOM 80 N ALA A 8 4.301 -8.930 -6.290 1.00 0.00 N ATOM 81 CA ALA A 8 3.212 -8.206 -6.931 1.00 0.00 C ATOM 82 C ALA A 8 2.052 -9.111 -7.404 1.00 0.00 C ATOM 83 O ALA A 8 0.939 -8.610 -7.506 1.00 0.00 O ATOM 84 CB ALA A 8 3.781 -7.340 -8.060 1.00 0.00 C ATOM 0 H ALA A 8 5.177 -8.885 -6.811 1.00 0.00 H new ATOM 0 HA ALA A 8 2.753 -7.562 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.971 -6.795 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.500 -6.631 -7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.278 -7.977 -8.792 1.00 0.00 H new ATOM 90 N GLN A 9 2.238 -10.420 -7.633 1.00 0.00 N ATOM 91 CA GLN A 9 1.133 -11.349 -7.936 1.00 0.00 C ATOM 92 C GLN A 9 0.236 -11.560 -6.709 1.00 0.00 C ATOM 93 O GLN A 9 -0.984 -11.424 -6.798 1.00 0.00 O ATOM 94 CB GLN A 9 1.649 -12.692 -8.526 1.00 0.00 C ATOM 95 CG GLN A 9 1.420 -13.967 -7.680 1.00 0.00 C ATOM 96 CD GLN A 9 1.885 -15.256 -8.354 1.00 0.00 C ATOM 97 OE1 GLN A 9 2.973 -15.358 -8.909 1.00 0.00 O ATOM 98 NE2 GLN A 9 1.080 -16.299 -8.318 1.00 0.00 N ATOM 0 H GLN A 9 3.155 -10.866 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 9 0.519 -10.889 -8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.175 -12.840 -9.496 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.719 -12.593 -8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.943 -13.858 -6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.358 -14.052 -7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.172 -16.227 -7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.365 -17.178 -8.749 1.00 0.00 H new ATOM 105 N ALA A 10 0.831 -11.878 -5.557 1.00 0.00 N ATOM 106 CA ALA A 10 0.089 -12.143 -4.328 1.00 0.00 C ATOM 107 C ALA A 10 -0.480 -10.841 -3.757 1.00 0.00 C ATOM 108 O ALA A 10 -1.632 -10.797 -3.323 1.00 0.00 O ATOM 109 CB ALA A 10 1.037 -12.811 -3.344 1.00 0.00 C ATOM 0 H ALA A 10 1.842 -11.958 -5.453 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.756 -12.802 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.508 -13.021 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.406 -13.744 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.878 -12.148 -3.141 1.00 0.00 H new ATOM 115 N ALA A 11 0.297 -9.757 -3.857 1.00 0.00 N ATOM 116 CA ALA A 11 -0.190 -8.420 -3.583 1.00 0.00 C ATOM 117 C ALA A 11 -1.369 -8.056 -4.495 1.00 0.00 C ATOM 118 O ALA A 11 -2.404 -7.691 -3.961 1.00 0.00 O ATOM 119 CB ALA A 11 0.960 -7.416 -3.656 1.00 0.00 C ATOM 0 H ALA A 11 1.279 -9.792 -4.131 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.582 -8.385 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.583 -6.415 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.719 -7.678 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.400 -7.438 -4.653 1.00 0.00 H new ATOM 125 N SER A 12 -1.296 -8.232 -5.822 1.00 0.00 N ATOM 126 CA SER A 12 -2.449 -8.036 -6.724 1.00 0.00 C ATOM 127 C SER A 12 -3.649 -8.909 -6.352 1.00 0.00 C ATOM 128 O SER A 12 -4.771 -8.409 -6.360 1.00 0.00 O ATOM 129 CB SER A 12 -2.096 -8.306 -8.193 1.00 0.00 C ATOM 130 OG SER A 12 -1.440 -7.186 -8.763 1.00 0.00 O ATOM 0 H SER A 12 -0.441 -8.513 -6.303 1.00 0.00 H new ATOM 0 HA SER A 12 -2.719 -6.987 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.454 -9.184 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.003 -8.528 -8.756 1.00 0.00 H new ATOM 0 HG SER A 12 -0.480 -7.237 -8.571 1.00 0.00 H new ATOM 135 N SER A 13 -3.445 -10.179 -5.985 1.00 0.00 N ATOM 136 CA SER A 13 -4.533 -11.079 -5.572 1.00 0.00 C ATOM 137 C SER A 13 -5.286 -10.542 -4.347 1.00 0.00 C ATOM 138 O SER A 13 -6.516 -10.454 -4.371 1.00 0.00 O ATOM 139 CB SER A 13 -3.987 -12.486 -5.307 1.00 0.00 C ATOM 140 OG SER A 13 -5.057 -13.409 -5.192 1.00 0.00 O ATOM 0 H SER A 13 -2.523 -10.614 -5.965 1.00 0.00 H new ATOM 0 HA SER A 13 -5.251 -11.130 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.323 -12.786 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.394 -12.488 -4.392 1.00 0.00 H new ATOM 0 HG SER A 13 -4.699 -14.306 -5.024 1.00 0.00 H new ATOM 145 N SER A 14 -4.566 -10.091 -3.312 1.00 0.00 N ATOM 146 CA SER A 14 -5.169 -9.421 -2.151 1.00 0.00 C ATOM 147 C SER A 14 -5.724 -8.032 -2.491 1.00 0.00 C ATOM 148 O SER A 14 -6.882 -7.770 -2.203 1.00 0.00 O ATOM 149 CB SER A 14 -4.167 -9.312 -0.997 1.00 0.00 C ATOM 150 OG SER A 14 -4.003 -10.579 -0.387 1.00 0.00 O ATOM 0 H SER A 14 -3.551 -10.180 -3.255 1.00 0.00 H new ATOM 0 HA SER A 14 -6.009 -10.044 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.208 -8.949 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.520 -8.587 -0.263 1.00 0.00 H new ATOM 0 HG SER A 14 -3.963 -10.471 0.586 1.00 0.00 H new ATOM 155 N LEU A 15 -4.957 -7.153 -3.141 1.00 0.00 N ATOM 156 CA LEU A 15 -5.327 -5.764 -3.455 1.00 0.00 C ATOM 157 C LEU A 15 -6.560 -5.661 -4.374 1.00 0.00 C ATOM 158 O LEU A 15 -7.395 -4.781 -4.170 1.00 0.00 O ATOM 159 CB LEU A 15 -4.116 -5.024 -4.067 1.00 0.00 C ATOM 160 CG LEU A 15 -2.967 -4.754 -3.065 1.00 0.00 C ATOM 161 CD1 LEU A 15 -1.611 -4.513 -3.737 1.00 0.00 C ATOM 162 CD2 LEU A 15 -3.252 -3.524 -2.208 1.00 0.00 C ATOM 0 H LEU A 15 -4.025 -7.395 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.610 -5.285 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.727 -5.612 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.455 -4.074 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.916 -5.661 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.854 -4.331 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.333 -5.390 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.680 -3.646 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.425 -3.363 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.362 -2.650 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.172 -3.678 -1.645 1.00 0.00 H new ATOM 173 N ALA A 16 -6.723 -6.577 -5.336 1.00 0.00 N ATOM 174 CA ALA A 16 -7.928 -6.684 -6.167 1.00 0.00 C ATOM 175 C ALA A 16 -9.161 -7.198 -5.382 1.00 0.00 C ATOM 176 O ALA A 16 -10.300 -6.887 -5.738 1.00 0.00 O ATOM 177 CB ALA A 16 -7.617 -7.591 -7.364 1.00 0.00 C ATOM 0 H ALA A 16 -6.013 -7.273 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.196 -5.685 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.503 -7.681 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.802 -7.159 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.324 -8.578 -7.006 1.00 0.00 H new ATOM 183 N THR A 17 -8.940 -7.955 -4.301 1.00 0.00 N ATOM 184 CA THR A 17 -9.964 -8.398 -3.333 1.00 0.00 C ATOM 185 C THR A 17 -10.297 -7.311 -2.298 1.00 0.00 C ATOM 186 O THR A 17 -11.444 -7.210 -1.858 1.00 0.00 O ATOM 187 CB THR A 17 -9.483 -9.705 -2.662 1.00 0.00 C ATOM 188 OG1 THR A 17 -9.966 -10.794 -3.423 1.00 0.00 O ATOM 189 CG2 THR A 17 -9.915 -9.936 -1.211 1.00 0.00 C ATOM 0 H THR A 17 -8.007 -8.292 -4.062 1.00 0.00 H new ATOM 0 HA THR A 17 -10.895 -8.589 -3.867 1.00 0.00 H new ATOM 0 HB THR A 17 -8.397 -9.617 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.670 -11.635 -3.015 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.513 -10.886 -0.859 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.537 -9.127 -0.586 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.003 -9.959 -1.155 1.00 0.00 H new ATOM 197 N SER A 18 -9.321 -6.475 -1.931 1.00 0.00 N ATOM 198 CA SER A 18 -9.420 -5.330 -1.015 1.00 0.00 C ATOM 199 C SER A 18 -10.284 -4.201 -1.584 1.00 0.00 C ATOM 200 O SER A 18 -9.783 -3.142 -1.964 1.00 0.00 O ATOM 201 CB SER A 18 -8.018 -4.810 -0.660 1.00 0.00 C ATOM 202 OG SER A 18 -7.281 -5.790 0.045 1.00 0.00 O ATOM 0 H SER A 18 -8.373 -6.587 -2.291 1.00 0.00 H new ATOM 0 HA SER A 18 -9.913 -5.682 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.486 -4.534 -1.571 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.103 -3.907 -0.055 1.00 0.00 H new ATOM 0 HG SER A 18 -7.049 -6.524 -0.562 1.00 0.00 H new ATOM 207 N SER A 19 -11.602 -4.406 -1.635 1.00 0.00 N ATOM 208 CA SER A 19 -12.581 -3.409 -2.094 1.00 0.00 C ATOM 209 C SER A 19 -12.449 -2.061 -1.365 1.00 0.00 C ATOM 210 O SER A 19 -12.605 -1.012 -1.987 1.00 0.00 O ATOM 211 CB SER A 19 -13.994 -3.984 -1.959 1.00 0.00 C ATOM 212 OG SER A 19 -14.942 -3.148 -2.599 1.00 0.00 O ATOM 0 H SER A 19 -12.031 -5.287 -1.353 1.00 0.00 H new ATOM 0 HA SER A 19 -12.376 -3.197 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.029 -4.982 -2.397 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.249 -4.089 -0.905 1.00 0.00 H new ATOM 0 HG SER A 19 -15.837 -3.535 -2.502 1.00 0.00 H new ATOM 217 N ALA A 20 -12.050 -2.061 -0.084 1.00 0.00 N ATOM 218 CA ALA A 20 -11.696 -0.847 0.661 1.00 0.00 C ATOM 219 C ALA A 20 -10.533 -0.052 0.027 1.00 0.00 C ATOM 220 O ALA A 20 -10.590 1.175 -0.027 1.00 0.00 O ATOM 221 CB ALA A 20 -11.359 -1.245 2.105 1.00 0.00 C ATOM 0 H ALA A 20 -11.964 -2.914 0.468 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.554 -0.176 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.093 -0.355 2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.225 -1.723 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.519 -1.940 2.104 1.00 0.00 H new ATOM 227 N ILE A 21 -9.499 -0.732 -0.487 1.00 0.00 N ATOM 228 CA ILE A 21 -8.359 -0.113 -1.184 1.00 0.00 C ATOM 229 C ILE A 21 -8.770 0.342 -2.590 1.00 0.00 C ATOM 230 O ILE A 21 -8.506 1.486 -2.957 1.00 0.00 O ATOM 231 CB ILE A 21 -7.139 -1.072 -1.206 1.00 0.00 C ATOM 232 CG1 ILE A 21 -6.617 -1.241 0.236 1.00 0.00 C ATOM 233 CG2 ILE A 21 -6.018 -0.532 -2.103 1.00 0.00 C ATOM 234 CD1 ILE A 21 -5.402 -2.157 0.424 1.00 0.00 C ATOM 0 H ILE A 21 -9.429 -1.748 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.052 0.777 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.455 -2.033 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.363 -0.255 0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.431 -1.625 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.179 -1.228 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.389 -0.421 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.688 0.438 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.133 -2.193 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.646 -3.161 0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.562 -1.769 -0.152 1.00 0.00 H new ATOM 245 N SER A 22 -9.473 -0.497 -3.360 1.00 0.00 N ATOM 246 CA SER A 22 -9.974 -0.114 -4.691 1.00 0.00 C ATOM 247 C SER A 22 -10.927 1.087 -4.636 1.00 0.00 C ATOM 248 O SER A 22 -10.788 2.011 -5.441 1.00 0.00 O ATOM 249 CB SER A 22 -10.659 -1.289 -5.393 1.00 0.00 C ATOM 250 OG SER A 22 -9.704 -2.287 -5.708 1.00 0.00 O ATOM 0 H SER A 22 -9.710 -1.450 -3.085 1.00 0.00 H new ATOM 0 HA SER A 22 -9.098 0.180 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.434 -1.706 -4.750 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.150 -0.944 -6.303 1.00 0.00 H new ATOM 0 HG SER A 22 -10.150 -3.037 -6.155 1.00 0.00 H new ATOM 255 N ARG A 23 -11.848 1.132 -3.662 1.00 0.00 N ATOM 256 CA ARG A 23 -12.713 2.299 -3.432 1.00 0.00 C ATOM 257 C ARG A 23 -11.961 3.502 -2.875 1.00 0.00 C ATOM 258 O ARG A 23 -12.266 4.607 -3.304 1.00 0.00 O ATOM 259 CB ARG A 23 -13.944 1.964 -2.568 1.00 0.00 C ATOM 260 CG ARG A 23 -14.995 1.187 -3.385 1.00 0.00 C ATOM 261 CD ARG A 23 -16.440 1.537 -2.991 1.00 0.00 C ATOM 262 NE ARG A 23 -16.948 0.735 -1.860 1.00 0.00 N ATOM 263 CZ ARG A 23 -17.557 -0.436 -1.947 1.00 0.00 C ATOM 264 NH1 ARG A 23 -17.659 -1.081 -3.076 1.00 0.00 N ATOM 265 NH2 ARG A 23 -18.098 -0.981 -0.897 1.00 0.00 N ATOM 0 H ARG A 23 -12.014 0.363 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.076 2.583 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.638 1.372 -1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.384 2.884 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.852 1.398 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.836 0.117 -3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.492 2.594 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.090 1.389 -3.853 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.817 1.120 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.262 -0.684 -3.928 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.135 -1.982 -3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.055 -0.505 0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.565 -1.884 -0.975 1.00 0.00 H new ATOM 276 N ALA A 24 -10.956 3.338 -2.011 1.00 0.00 N ATOM 277 CA ALA A 24 -10.103 4.460 -1.608 1.00 0.00 C ATOM 278 C ALA A 24 -9.378 5.091 -2.818 1.00 0.00 C ATOM 279 O ALA A 24 -9.417 6.311 -2.972 1.00 0.00 O ATOM 280 CB ALA A 24 -9.146 4.014 -0.497 1.00 0.00 C ATOM 0 H ALA A 24 -10.714 2.446 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.729 5.253 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.515 4.852 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.721 3.673 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.520 3.199 -0.861 1.00 0.00 H new ATOM 286 N PHE A 25 -8.813 4.284 -3.729 1.00 0.00 N ATOM 287 CA PHE A 25 -8.197 4.773 -4.973 1.00 0.00 C ATOM 288 C PHE A 25 -9.183 5.394 -5.973 1.00 0.00 C ATOM 289 O PHE A 25 -8.827 6.363 -6.643 1.00 0.00 O ATOM 290 CB PHE A 25 -7.392 3.655 -5.659 1.00 0.00 C ATOM 291 CG PHE A 25 -6.108 3.256 -4.951 1.00 0.00 C ATOM 292 CD1 PHE A 25 -5.255 4.229 -4.386 1.00 0.00 C ATOM 293 CD2 PHE A 25 -5.758 1.895 -4.863 1.00 0.00 C ATOM 294 CE1 PHE A 25 -4.138 3.839 -3.632 1.00 0.00 C ATOM 295 CE2 PHE A 25 -4.615 1.509 -4.143 1.00 0.00 C ATOM 296 CZ PHE A 25 -3.849 2.475 -3.476 1.00 0.00 C ATOM 0 H PHE A 25 -8.770 3.270 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.534 5.580 -4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.028 2.774 -5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.146 3.975 -6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.463 5.278 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.368 1.148 -5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.504 4.584 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.327 0.469 -4.103 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.033 2.168 -2.839 1.00 0.00 H new ATOM 305 N ALA A 26 -10.415 4.885 -6.077 1.00 0.00 N ATOM 306 CA ALA A 26 -11.451 5.489 -6.922 1.00 0.00 C ATOM 307 C ALA A 26 -12.090 6.753 -6.294 1.00 0.00 C ATOM 308 O ALA A 26 -12.550 7.640 -7.015 1.00 0.00 O ATOM 309 CB ALA A 26 -12.504 4.423 -7.238 1.00 0.00 C ATOM 0 H ALA A 26 -10.721 4.048 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.983 5.836 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.283 4.856 -7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.034 3.592 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.946 4.062 -6.309 1.00 0.00 H new ATOM 315 N SER A 27 -12.107 6.847 -4.958 1.00 0.00 N ATOM 316 CA SER A 27 -12.599 8.000 -4.190 1.00 0.00 C ATOM 317 C SER A 27 -11.698 9.231 -4.353 1.00 0.00 C ATOM 318 O SER A 27 -12.199 10.343 -4.544 1.00 0.00 O ATOM 319 CB SER A 27 -12.703 7.616 -2.706 1.00 0.00 C ATOM 320 OG SER A 27 -13.203 8.687 -1.924 1.00 0.00 O ATOM 0 H SER A 27 -11.766 6.095 -4.360 1.00 0.00 H new ATOM 0 HA SER A 27 -13.582 8.267 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.356 6.750 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.721 7.322 -2.336 1.00 0.00 H new ATOM 0 HG SER A 27 -13.258 8.409 -0.986 1.00 0.00 H new ATOM 325 N VAL A 28 -10.370 9.048 -4.325 1.00 0.00 N ATOM 326 CA VAL A 28 -9.408 10.133 -4.589 1.00 0.00 C ATOM 327 C VAL A 28 -9.326 10.488 -6.081 1.00 0.00 C ATOM 328 O VAL A 28 -9.332 9.615 -6.952 1.00 0.00 O ATOM 329 CB VAL A 28 -8.008 9.836 -4.014 1.00 0.00 C ATOM 330 CG1 VAL A 28 -8.077 9.753 -2.485 1.00 0.00 C ATOM 331 CG2 VAL A 28 -7.347 8.565 -4.554 1.00 0.00 C ATOM 0 H VAL A 28 -9.932 8.150 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.794 11.006 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.382 10.667 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.084 9.543 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.435 10.702 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.761 8.955 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.368 8.440 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.971 7.703 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.231 8.646 -5.635 1.00 0.00 H new ATOM 341 N SER A 29 -9.191 11.786 -6.364 1.00 0.00 N ATOM 342 CA SER A 29 -9.120 12.360 -7.725 1.00 0.00 C ATOM 343 C SER A 29 -7.895 13.275 -7.915 1.00 0.00 C ATOM 344 O SER A 29 -7.843 14.075 -8.851 1.00 0.00 O ATOM 345 CB SER A 29 -10.421 13.103 -8.064 1.00 0.00 C ATOM 346 OG SER A 29 -11.540 12.228 -8.005 1.00 0.00 O ATOM 0 H SER A 29 -9.125 12.495 -5.634 1.00 0.00 H new ATOM 0 HA SER A 29 -9.000 11.529 -8.420 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.564 13.929 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.347 13.537 -9.061 1.00 0.00 H new ATOM 0 HG SER A 29 -12.356 12.725 -8.223 1.00 0.00 H new ATOM 351 N SER A 30 -6.895 13.133 -7.036 1.00 0.00 N ATOM 352 CA SER A 30 -5.627 13.876 -7.039 1.00 0.00 C ATOM 353 C SER A 30 -4.477 12.964 -6.614 1.00 0.00 C ATOM 354 O SER A 30 -4.615 12.188 -5.666 1.00 0.00 O ATOM 355 CB SER A 30 -5.698 15.059 -6.064 1.00 0.00 C ATOM 356 OG SER A 30 -6.490 16.107 -6.596 1.00 0.00 O ATOM 0 H SER A 30 -6.950 12.466 -6.267 1.00 0.00 H new ATOM 0 HA SER A 30 -5.454 14.242 -8.051 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.117 14.728 -5.114 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.693 15.426 -5.858 1.00 0.00 H new ATOM 0 HG SER A 30 -6.522 16.849 -5.957 1.00 0.00 H new ATOM 361 N ALA A 31 -3.325 13.080 -7.279 1.00 0.00 N ATOM 362 CA ALA A 31 -2.133 12.286 -6.969 1.00 0.00 C ATOM 363 C ALA A 31 -1.651 12.499 -5.519 1.00 0.00 C ATOM 364 O ALA A 31 -1.250 11.542 -4.860 1.00 0.00 O ATOM 365 CB ALA A 31 -1.045 12.639 -7.989 1.00 0.00 C ATOM 0 H ALA A 31 -3.192 13.731 -8.053 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.376 11.226 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.146 12.059 -7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.399 12.407 -8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.815 13.702 -7.922 1.00 0.00 H new ATOM 371 N SER A 32 -1.768 13.727 -4.996 1.00 0.00 N ATOM 372 CA SER A 32 -1.506 14.053 -3.582 1.00 0.00 C ATOM 373 C SER A 32 -2.558 13.510 -2.607 1.00 0.00 C ATOM 374 O SER A 32 -2.238 13.247 -1.450 1.00 0.00 O ATOM 375 CB SER A 32 -1.383 15.571 -3.383 1.00 0.00 C ATOM 376 OG SER A 32 -0.015 15.943 -3.316 1.00 0.00 O ATOM 0 H SER A 32 -2.051 14.536 -5.549 1.00 0.00 H new ATOM 0 HA SER A 32 -0.564 13.556 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.871 16.094 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.894 15.869 -2.468 1.00 0.00 H new ATOM 0 HG SER A 32 0.055 16.912 -3.191 1.00 0.00 H new ATOM 381 N ALA A 33 -3.811 13.312 -3.034 1.00 0.00 N ATOM 382 CA ALA A 33 -4.831 12.678 -2.195 1.00 0.00 C ATOM 383 C ALA A 33 -4.581 11.164 -2.088 1.00 0.00 C ATOM 384 O ALA A 33 -4.622 10.606 -0.989 1.00 0.00 O ATOM 385 CB ALA A 33 -6.222 13.002 -2.750 1.00 0.00 C ATOM 0 H ALA A 33 -4.142 13.584 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.774 13.076 -1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.981 12.531 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.371 14.082 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.304 12.624 -3.769 1.00 0.00 H new ATOM 391 N ALA A 34 -4.229 10.511 -3.202 1.00 0.00 N ATOM 392 CA ALA A 34 -3.741 9.135 -3.189 1.00 0.00 C ATOM 393 C ALA A 34 -2.444 8.995 -2.377 1.00 0.00 C ATOM 394 O ALA A 34 -2.342 8.089 -1.554 1.00 0.00 O ATOM 395 CB ALA A 34 -3.560 8.652 -4.629 1.00 0.00 C ATOM 0 H ALA A 34 -4.276 10.924 -4.133 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.480 8.505 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.196 7.625 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.516 8.696 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.839 9.291 -5.139 1.00 0.00 H new ATOM 401 N SER A 35 -1.462 9.890 -2.556 1.00 0.00 N ATOM 402 CA SER A 35 -0.204 9.827 -1.802 1.00 0.00 C ATOM 403 C SER A 35 -0.428 10.052 -0.304 1.00 0.00 C ATOM 404 O SER A 35 0.156 9.335 0.501 1.00 0.00 O ATOM 405 CB SER A 35 0.856 10.779 -2.369 1.00 0.00 C ATOM 406 OG SER A 35 0.725 12.097 -1.871 1.00 0.00 O ATOM 0 H SER A 35 -1.516 10.665 -3.216 1.00 0.00 H new ATOM 0 HA SER A 35 0.185 8.816 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.848 10.399 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.780 10.796 -3.456 1.00 0.00 H new ATOM 0 HG SER A 35 1.423 12.665 -2.260 1.00 0.00 H new ATOM 411 N SER A 36 -1.334 10.958 0.084 1.00 0.00 N ATOM 412 CA SER A 36 -1.749 11.177 1.476 1.00 0.00 C ATOM 413 C SER A 36 -2.448 9.952 2.081 1.00 0.00 C ATOM 414 O SER A 36 -2.091 9.544 3.189 1.00 0.00 O ATOM 415 CB SER A 36 -2.648 12.415 1.562 1.00 0.00 C ATOM 416 OG SER A 36 -2.979 12.706 2.911 1.00 0.00 O ATOM 0 H SER A 36 -1.810 11.573 -0.576 1.00 0.00 H new ATOM 0 HA SER A 36 -0.848 11.342 2.066 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.141 13.270 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.559 12.249 0.987 1.00 0.00 H new ATOM 0 HG SER A 36 -3.552 13.500 2.943 1.00 0.00 H new ATOM 421 N LEU A 37 -3.378 9.299 1.362 1.00 0.00 N ATOM 422 CA LEU A 37 -4.000 8.054 1.841 1.00 0.00 C ATOM 423 C LEU A 37 -2.953 6.939 1.975 1.00 0.00 C ATOM 424 O LEU A 37 -2.877 6.305 3.024 1.00 0.00 O ATOM 425 CB LEU A 37 -5.257 7.680 1.011 1.00 0.00 C ATOM 426 CG LEU A 37 -5.148 6.588 -0.081 1.00 0.00 C ATOM 427 CD1 LEU A 37 -5.231 5.164 0.483 1.00 0.00 C ATOM 428 CD2 LEU A 37 -6.295 6.726 -1.079 1.00 0.00 C ATOM 0 H LEU A 37 -3.714 9.612 0.451 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.384 8.212 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.031 7.366 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.614 8.590 0.529 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.174 6.736 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.148 4.445 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.418 5.005 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.186 5.029 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.208 5.953 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.246 6.616 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.251 7.708 -1.550 1.00 0.00 H new ATOM 439 N ALA A 38 -2.099 6.750 0.963 1.00 0.00 N ATOM 440 CA ALA A 38 -1.021 5.764 0.966 1.00 0.00 C ATOM 441 C ALA A 38 0.024 6.035 2.064 1.00 0.00 C ATOM 442 O ALA A 38 0.575 5.092 2.626 1.00 0.00 O ATOM 443 CB ALA A 38 -0.387 5.722 -0.426 1.00 0.00 C ATOM 0 H ALA A 38 -2.142 7.293 0.101 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.442 4.787 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.420 4.989 -0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.141 5.442 -1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.013 6.705 -0.673 1.00 0.00 H new ATOM 449 N TYR A 39 0.260 7.301 2.418 1.00 0.00 N ATOM 450 CA TYR A 39 1.107 7.693 3.543 1.00 0.00 C ATOM 451 C TYR A 39 0.430 7.392 4.890 1.00 0.00 C ATOM 452 O TYR A 39 1.051 6.771 5.746 1.00 0.00 O ATOM 453 CB TYR A 39 1.503 9.169 3.414 1.00 0.00 C ATOM 454 CG TYR A 39 2.635 9.602 4.325 1.00 0.00 C ATOM 455 CD1 TYR A 39 3.969 9.394 3.923 1.00 0.00 C ATOM 456 CD2 TYR A 39 2.364 10.249 5.546 1.00 0.00 C ATOM 457 CE1 TYR A 39 5.035 9.829 4.733 1.00 0.00 C ATOM 458 CE2 TYR A 39 3.428 10.695 6.356 1.00 0.00 C ATOM 459 CZ TYR A 39 4.765 10.488 5.951 1.00 0.00 C ATOM 460 OH TYR A 39 5.788 10.946 6.724 1.00 0.00 O ATOM 0 H TYR A 39 -0.141 8.096 1.920 1.00 0.00 H new ATOM 0 HA TYR A 39 2.019 7.096 3.516 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.790 9.365 2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.629 9.786 3.624 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.175 8.897 2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.343 10.403 5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.056 9.659 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.220 11.197 7.289 1.00 0.00 H new ATOM 0 HH TYR A 39 5.425 11.375 7.527 1.00 0.00 H new ATOM 469 N ASN A 40 -0.852 7.734 5.069 1.00 0.00 N ATOM 470 CA ASN A 40 -1.625 7.411 6.277 1.00 0.00 C ATOM 471 C ASN A 40 -1.715 5.893 6.532 1.00 0.00 C ATOM 472 O ASN A 40 -1.339 5.424 7.611 1.00 0.00 O ATOM 473 CB ASN A 40 -3.036 8.031 6.173 1.00 0.00 C ATOM 474 CG ASN A 40 -3.135 9.479 6.631 1.00 0.00 C ATOM 475 OD1 ASN A 40 -2.192 10.101 7.102 1.00 0.00 O ATOM 476 ND2 ASN A 40 -4.315 10.053 6.550 1.00 0.00 N ATOM 0 H ASN A 40 -1.389 8.249 4.371 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.099 7.839 7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.369 7.969 5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.726 7.430 6.765 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.440 11.011 6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.105 9.541 6.159 1.00 0.00 H new ATOM 482 N ILE A 41 -2.177 5.110 5.547 1.00 0.00 N ATOM 483 CA ILE A 41 -2.252 3.644 5.681 1.00 0.00 C ATOM 484 C ILE A 41 -0.855 3.007 5.709 1.00 0.00 C ATOM 485 O ILE A 41 -0.659 1.997 6.379 1.00 0.00 O ATOM 486 CB ILE A 41 -3.169 2.981 4.622 1.00 0.00 C ATOM 487 CG1 ILE A 41 -2.537 2.905 3.218 1.00 0.00 C ATOM 488 CG2 ILE A 41 -4.553 3.658 4.621 1.00 0.00 C ATOM 489 CD1 ILE A 41 -3.390 2.180 2.170 1.00 0.00 C ATOM 0 H ILE A 41 -2.505 5.465 4.649 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.722 3.450 6.645 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.301 1.939 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.339 3.918 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.574 2.401 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.189 3.184 3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.010 3.553 5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.440 4.716 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.866 2.176 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.567 1.154 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.344 2.695 2.058 1.00 0.00 H new ATOM 500 N GLY A 42 0.130 3.615 5.040 1.00 0.00 N ATOM 501 CA GLY A 42 1.521 3.161 5.016 1.00 0.00 C ATOM 502 C GLY A 42 2.219 3.337 6.363 1.00 0.00 C ATOM 503 O GLY A 42 2.914 2.425 6.798 1.00 0.00 O ATOM 0 H GLY A 42 -0.024 4.458 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.551 2.110 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.067 3.715 4.253 1.00 0.00 H new ATOM 507 N LEU A 43 1.980 4.450 7.067 1.00 0.00 N ATOM 508 CA LEU A 43 2.399 4.669 8.457 1.00 0.00 C ATOM 509 C LEU A 43 1.813 3.599 9.386 1.00 0.00 C ATOM 510 O LEU A 43 2.555 2.979 10.146 1.00 0.00 O ATOM 511 CB LEU A 43 1.969 6.086 8.908 1.00 0.00 C ATOM 512 CG LEU A 43 3.055 7.181 8.876 1.00 0.00 C ATOM 513 CD1 LEU A 43 3.936 7.192 7.632 1.00 0.00 C ATOM 514 CD2 LEU A 43 2.390 8.553 8.982 1.00 0.00 C ATOM 0 H LEU A 43 1.476 5.245 6.675 1.00 0.00 H new ATOM 0 HA LEU A 43 3.485 4.590 8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.142 6.408 8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.584 6.017 9.926 1.00 0.00 H new ATOM 0 HG LEU A 43 3.707 6.954 9.720 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.665 7.999 7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.457 6.239 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.316 7.347 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.154 9.330 8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.707 8.692 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.835 8.617 9.918 1.00 0.00 H new ATOM 525 N SER A 44 0.503 3.339 9.295 1.00 0.00 N ATOM 526 CA SER A 44 -0.159 2.300 10.097 1.00 0.00 C ATOM 527 C SER A 44 0.360 0.889 9.769 1.00 0.00 C ATOM 528 O SER A 44 0.653 0.113 10.681 1.00 0.00 O ATOM 529 CB SER A 44 -1.678 2.389 9.914 1.00 0.00 C ATOM 530 OG SER A 44 -2.335 1.542 10.842 1.00 0.00 O ATOM 0 H SER A 44 -0.126 3.839 8.667 1.00 0.00 H new ATOM 0 HA SER A 44 0.084 2.481 11.144 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.008 3.418 10.053 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.946 2.103 8.897 1.00 0.00 H new ATOM 0 HG SER A 44 -3.305 1.609 10.716 1.00 0.00 H new ATOM 535 N ALA A 45 0.577 0.574 8.484 1.00 0.00 N ATOM 536 CA ALA A 45 1.132 -0.709 8.044 1.00 0.00 C ATOM 537 C ALA A 45 2.575 -0.886 8.536 1.00 0.00 C ATOM 538 O ALA A 45 2.904 -1.907 9.135 1.00 0.00 O ATOM 539 CB ALA A 45 1.051 -0.804 6.512 1.00 0.00 C ATOM 0 H ALA A 45 0.369 1.211 7.715 1.00 0.00 H new ATOM 0 HA ALA A 45 0.543 -1.517 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.464 -1.758 6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.010 -0.732 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.622 0.011 6.066 1.00 0.00 H new ATOM 545 N ALA A 46 3.421 0.130 8.353 1.00 0.00 N ATOM 546 CA ALA A 46 4.806 0.146 8.810 1.00 0.00 C ATOM 547 C ALA A 46 4.926 0.031 10.342 1.00 0.00 C ATOM 548 O ALA A 46 5.760 -0.739 10.818 1.00 0.00 O ATOM 549 CB ALA A 46 5.465 1.416 8.265 1.00 0.00 C ATOM 0 H ALA A 46 3.151 0.986 7.869 1.00 0.00 H new ATOM 0 HA ALA A 46 5.327 -0.732 8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.504 1.455 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.427 1.407 7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.934 2.291 8.639 1.00 0.00 H new ATOM 555 N ARG A 47 4.072 0.711 11.124 1.00 0.00 N ATOM 556 CA ARG A 47 3.979 0.530 12.589 1.00 0.00 C ATOM 557 C ARG A 47 3.532 -0.881 12.984 1.00 0.00 C ATOM 558 O ARG A 47 4.131 -1.476 13.878 1.00 0.00 O ATOM 559 CB ARG A 47 3.035 1.583 13.208 1.00 0.00 C ATOM 560 CG ARG A 47 3.808 2.825 13.681 1.00 0.00 C ATOM 561 CD ARG A 47 2.896 3.968 14.154 1.00 0.00 C ATOM 562 NE ARG A 47 1.962 3.557 15.226 1.00 0.00 N ATOM 563 CZ ARG A 47 1.110 4.337 15.870 1.00 0.00 C ATOM 564 NH1 ARG A 47 1.051 5.623 15.662 1.00 0.00 N ATOM 565 NH2 ARG A 47 0.287 3.834 16.746 1.00 0.00 N ATOM 0 H ARG A 47 3.421 1.407 10.759 1.00 0.00 H new ATOM 0 HA ARG A 47 4.985 0.669 12.986 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.286 1.878 12.473 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.500 1.143 14.050 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.474 2.541 14.496 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.436 3.185 12.866 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.512 4.792 14.513 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.324 4.344 13.306 1.00 0.00 H new ATOM 0 HE ARG A 47 1.977 2.573 15.495 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.675 6.059 14.983 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.380 6.193 16.178 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.297 2.832 16.939 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.367 4.442 17.239 1.00 0.00 H new ATOM 576 N SER A 48 2.517 -1.427 12.311 1.00 0.00 N ATOM 577 CA SER A 48 1.988 -2.778 12.568 1.00 0.00 C ATOM 578 C SER A 48 3.018 -3.881 12.264 1.00 0.00 C ATOM 579 O SER A 48 3.195 -4.814 13.052 1.00 0.00 O ATOM 580 CB SER A 48 0.710 -2.978 11.744 1.00 0.00 C ATOM 581 OG SER A 48 0.077 -4.200 12.084 1.00 0.00 O ATOM 0 H SER A 48 2.029 -0.940 11.560 1.00 0.00 H new ATOM 0 HA SER A 48 1.760 -2.860 13.631 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.026 -2.148 11.919 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.953 -2.972 10.681 1.00 0.00 H new ATOM 0 HG SER A 48 -0.737 -4.307 11.548 1.00 0.00 H new ATOM 586 N LEU A 49 3.751 -3.743 11.154 1.00 0.00 N ATOM 587 CA LEU A 49 4.835 -4.636 10.728 1.00 0.00 C ATOM 588 C LEU A 49 6.145 -4.443 11.529 1.00 0.00 C ATOM 589 O LEU A 49 6.918 -5.392 11.666 1.00 0.00 O ATOM 590 CB LEU A 49 5.094 -4.385 9.233 1.00 0.00 C ATOM 591 CG LEU A 49 3.981 -4.851 8.278 1.00 0.00 C ATOM 592 CD1 LEU A 49 4.241 -4.270 6.890 1.00 0.00 C ATOM 593 CD2 LEU A 49 3.923 -6.375 8.162 1.00 0.00 C ATOM 0 H LEU A 49 3.599 -2.975 10.501 1.00 0.00 H new ATOM 0 HA LEU A 49 4.519 -5.662 10.916 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.252 -3.317 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.021 -4.886 8.954 1.00 0.00 H new ATOM 0 HG LEU A 49 3.031 -4.503 8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.457 -4.595 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.245 -3.181 6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.207 -4.618 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.123 -6.658 7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.874 -6.747 7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.731 -6.808 9.144 1.00 0.00 H new ATOM 604 N GLY A 50 6.396 -3.241 12.062 1.00 0.00 N ATOM 605 CA GLY A 50 7.532 -2.925 12.944 1.00 0.00 C ATOM 606 C GLY A 50 8.736 -2.252 12.260 1.00 0.00 C ATOM 607 O GLY A 50 9.871 -2.426 12.709 1.00 0.00 O ATOM 0 H GLY A 50 5.797 -2.434 11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.179 -2.273 13.743 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.872 -3.848 13.414 1.00 0.00 H new ATOM 611 N ILE A 51 8.519 -1.521 11.162 1.00 0.00 N ATOM 612 CA ILE A 51 9.563 -0.822 10.387 1.00 0.00 C ATOM 613 C ILE A 51 10.148 0.349 11.206 1.00 0.00 C ATOM 614 O ILE A 51 9.415 1.182 11.740 1.00 0.00 O ATOM 615 CB ILE A 51 8.978 -0.365 9.025 1.00 0.00 C ATOM 616 CG1 ILE A 51 8.883 -1.493 7.973 1.00 0.00 C ATOM 617 CG2 ILE A 51 9.782 0.762 8.361 1.00 0.00 C ATOM 618 CD1 ILE A 51 7.954 -2.644 8.355 1.00 0.00 C ATOM 0 H ILE A 51 7.585 -1.392 10.772 1.00 0.00 H new ATOM 0 HA ILE A 51 10.390 -1.501 10.179 1.00 0.00 H new ATOM 0 HB ILE A 51 7.982 -0.020 9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.541 -1.065 7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.882 -1.893 7.797 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.316 1.031 7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.799 1.632 9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.802 0.424 8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.950 -3.388 7.558 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.305 -3.104 9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.943 -2.263 8.500 1.00 0.00 H new ATOM 629 N ALA A 52 11.480 0.444 11.254 1.00 0.00 N ATOM 630 CA ALA A 52 12.253 1.454 12.000 1.00 0.00 C ATOM 631 C ALA A 52 12.286 2.868 11.358 1.00 0.00 C ATOM 632 O ALA A 52 13.108 3.709 11.733 1.00 0.00 O ATOM 633 CB ALA A 52 13.669 0.884 12.178 1.00 0.00 C ATOM 0 H ALA A 52 12.081 -0.209 10.752 1.00 0.00 H new ATOM 0 HA ALA A 52 11.756 1.627 12.955 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.282 1.598 12.727 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.617 -0.052 12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.113 0.701 11.200 1.00 0.00 H new ATOM 639 N SER A 53 11.435 3.117 10.358 1.00 0.00 N ATOM 640 CA SER A 53 11.415 4.317 9.506 1.00 0.00 C ATOM 641 C SER A 53 10.093 4.396 8.723 1.00 0.00 C ATOM 642 O SER A 53 10.066 4.452 7.494 1.00 0.00 O ATOM 643 CB SER A 53 12.651 4.332 8.583 1.00 0.00 C ATOM 644 OG SER A 53 13.250 5.619 8.600 1.00 0.00 O ATOM 0 H SER A 53 10.702 2.454 10.105 1.00 0.00 H new ATOM 0 HA SER A 53 11.468 5.209 10.131 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.370 3.582 8.912 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.360 4.070 7.566 1.00 0.00 H new ATOM 0 HG SER A 53 14.035 5.622 8.014 1.00 0.00 H new ATOM 649 N ASP A 54 8.964 4.309 9.433 1.00 0.00 N ATOM 650 CA ASP A 54 7.612 4.361 8.851 1.00 0.00 C ATOM 651 C ASP A 54 7.408 5.548 7.898 1.00 0.00 C ATOM 652 O ASP A 54 6.882 5.373 6.799 1.00 0.00 O ATOM 653 CB ASP A 54 6.534 4.323 9.956 1.00 0.00 C ATOM 654 CG ASP A 54 6.532 5.501 10.953 1.00 0.00 C ATOM 655 OD1 ASP A 54 7.612 6.053 11.272 1.00 0.00 O ATOM 656 OD2 ASP A 54 5.441 5.849 11.459 1.00 0.00 O ATOM 0 H ASP A 54 8.960 4.198 10.447 1.00 0.00 H new ATOM 0 HA ASP A 54 7.503 3.467 8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.556 4.279 9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.655 3.398 10.520 1.00 0.00 H new ATOM 660 N THR A 55 7.913 6.725 8.268 1.00 0.00 N ATOM 661 CA THR A 55 7.930 7.942 7.441 1.00 0.00 C ATOM 662 C THR A 55 8.724 7.811 6.135 1.00 0.00 C ATOM 663 O THR A 55 8.364 8.452 5.149 1.00 0.00 O ATOM 664 CB THR A 55 8.501 9.126 8.240 1.00 0.00 C ATOM 665 OG1 THR A 55 9.791 8.806 8.727 1.00 0.00 O ATOM 666 CG2 THR A 55 7.627 9.477 9.447 1.00 0.00 C ATOM 0 H THR A 55 8.338 6.867 9.184 1.00 0.00 H new ATOM 0 HA THR A 55 6.888 8.111 7.168 1.00 0.00 H new ATOM 0 HB THR A 55 8.535 9.977 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.147 9.566 9.233 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.067 10.318 9.983 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.627 9.747 9.106 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.563 8.616 10.113 1.00 0.00 H new ATOM 674 N ALA A 56 9.766 6.972 6.084 1.00 0.00 N ATOM 675 CA ALA A 56 10.561 6.731 4.876 1.00 0.00 C ATOM 676 C ALA A 56 9.948 5.631 3.992 1.00 0.00 C ATOM 677 O ALA A 56 9.902 5.787 2.770 1.00 0.00 O ATOM 678 CB ALA A 56 11.995 6.367 5.280 1.00 0.00 C ATOM 0 H ALA A 56 10.084 6.435 6.891 1.00 0.00 H new ATOM 0 HA ALA A 56 10.568 7.645 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.591 6.187 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.433 7.188 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.982 5.467 5.895 1.00 0.00 H new ATOM 684 N LEU A 57 9.425 4.556 4.598 1.00 0.00 N ATOM 685 CA LEU A 57 8.706 3.483 3.903 1.00 0.00 C ATOM 686 C LEU A 57 7.470 4.061 3.201 1.00 0.00 C ATOM 687 O LEU A 57 7.357 4.026 1.977 1.00 0.00 O ATOM 688 CB LEU A 57 8.312 2.392 4.929 1.00 0.00 C ATOM 689 CG LEU A 57 8.275 0.939 4.418 1.00 0.00 C ATOM 690 CD1 LEU A 57 7.508 0.743 3.109 1.00 0.00 C ATOM 691 CD2 LEU A 57 9.687 0.391 4.240 1.00 0.00 C ATOM 0 H LEU A 57 9.492 4.407 5.605 1.00 0.00 H new ATOM 0 HA LEU A 57 9.344 3.031 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.012 2.441 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.327 2.638 5.325 1.00 0.00 H new ATOM 0 HG LEU A 57 7.735 0.390 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.535 -0.309 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.473 1.057 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.969 1.342 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.636 -0.636 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.227 1.003 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.209 0.413 5.196 1.00 0.00 H new ATOM 702 N ALA A 58 6.587 4.686 3.979 1.00 0.00 N ATOM 703 CA ALA A 58 5.380 5.334 3.492 1.00 0.00 C ATOM 704 C ALA A 58 5.684 6.554 2.610 1.00 0.00 C ATOM 705 O ALA A 58 4.918 6.837 1.694 1.00 0.00 O ATOM 706 CB ALA A 58 4.548 5.724 4.707 1.00 0.00 C ATOM 0 H ALA A 58 6.698 4.755 4.991 1.00 0.00 H new ATOM 0 HA ALA A 58 4.829 4.643 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.632 6.214 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.296 4.830 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.120 6.407 5.335 1.00 0.00 H new ATOM 712 N GLY A 59 6.807 7.247 2.833 1.00 0.00 N ATOM 713 CA GLY A 59 7.287 8.327 1.965 1.00 0.00 C ATOM 714 C GLY A 59 7.632 7.834 0.557 1.00 0.00 C ATOM 715 O GLY A 59 7.166 8.402 -0.431 1.00 0.00 O ATOM 0 H GLY A 59 7.415 7.070 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.524 9.103 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.169 8.785 2.413 1.00 0.00 H new ATOM 719 N ALA A 60 8.371 6.726 0.449 1.00 0.00 N ATOM 720 CA ALA A 60 8.630 6.062 -0.827 1.00 0.00 C ATOM 721 C ALA A 60 7.336 5.550 -1.488 1.00 0.00 C ATOM 722 O ALA A 60 7.164 5.729 -2.695 1.00 0.00 O ATOM 723 CB ALA A 60 9.647 4.936 -0.609 1.00 0.00 C ATOM 0 H ALA A 60 8.807 6.265 1.248 1.00 0.00 H new ATOM 0 HA ALA A 60 9.050 6.789 -1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.845 4.436 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.575 5.354 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.245 4.216 0.104 1.00 0.00 H new ATOM 729 N LEU A 61 6.391 4.988 -0.719 1.00 0.00 N ATOM 730 CA LEU A 61 5.067 4.606 -1.233 1.00 0.00 C ATOM 731 C LEU A 61 4.264 5.818 -1.741 1.00 0.00 C ATOM 732 O LEU A 61 3.681 5.751 -2.821 1.00 0.00 O ATOM 733 CB LEU A 61 4.262 3.828 -0.169 1.00 0.00 C ATOM 734 CG LEU A 61 4.855 2.471 0.260 1.00 0.00 C ATOM 735 CD1 LEU A 61 3.901 1.757 1.217 1.00 0.00 C ATOM 736 CD2 LEU A 61 5.153 1.566 -0.929 1.00 0.00 C ATOM 0 H LEU A 61 6.522 4.786 0.272 1.00 0.00 H new ATOM 0 HA LEU A 61 5.239 3.951 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.163 4.456 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.256 3.659 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 61 5.799 2.681 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.331 0.800 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.745 2.374 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.946 1.587 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.569 0.623 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.232 1.372 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.872 2.054 -1.587 1.00 0.00 H new ATOM 747 N ALA A 62 4.273 6.941 -1.022 1.00 0.00 N ATOM 748 CA ALA A 62 3.627 8.189 -1.425 1.00 0.00 C ATOM 749 C ALA A 62 4.201 8.736 -2.747 1.00 0.00 C ATOM 750 O ALA A 62 3.441 9.115 -3.641 1.00 0.00 O ATOM 751 CB ALA A 62 3.759 9.194 -0.270 1.00 0.00 C ATOM 0 H ALA A 62 4.743 7.009 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 62 2.571 8.007 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.283 10.134 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.274 8.792 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.814 9.370 -0.060 1.00 0.00 H new ATOM 757 N GLN A 63 5.529 8.719 -2.915 1.00 0.00 N ATOM 758 CA GLN A 63 6.177 9.107 -4.175 1.00 0.00 C ATOM 759 C GLN A 63 5.916 8.108 -5.318 1.00 0.00 C ATOM 760 O GLN A 63 5.706 8.531 -6.455 1.00 0.00 O ATOM 761 CB GLN A 63 7.684 9.324 -3.962 1.00 0.00 C ATOM 762 CG GLN A 63 7.975 10.516 -3.027 1.00 0.00 C ATOM 763 CD GLN A 63 9.135 11.374 -3.524 1.00 0.00 C ATOM 764 OE1 GLN A 63 10.278 11.242 -3.102 1.00 0.00 O ATOM 765 NE2 GLN A 63 8.891 12.288 -4.443 1.00 0.00 N ATOM 0 H GLN A 63 6.183 8.437 -2.185 1.00 0.00 H new ATOM 0 HA GLN A 63 5.726 10.049 -4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.124 8.419 -3.542 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.164 9.494 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.081 11.133 -2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.203 10.144 -2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.944 12.409 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.649 12.874 -4.793 1.00 0.00 H new ATOM 772 N ALA A 64 5.859 6.800 -5.037 1.00 0.00 N ATOM 773 CA ALA A 64 5.492 5.771 -6.017 1.00 0.00 C ATOM 774 C ALA A 64 4.055 5.948 -6.540 1.00 0.00 C ATOM 775 O ALA A 64 3.813 5.904 -7.746 1.00 0.00 O ATOM 776 CB ALA A 64 5.678 4.397 -5.368 1.00 0.00 C ATOM 0 H ALA A 64 6.069 6.423 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 64 6.142 5.865 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.410 3.618 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.719 4.273 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.038 4.320 -4.489 1.00 0.00 H new ATOM 782 N VAL A 65 3.112 6.225 -5.633 1.00 0.00 N ATOM 783 CA VAL A 65 1.720 6.592 -5.936 1.00 0.00 C ATOM 784 C VAL A 65 1.646 7.868 -6.778 1.00 0.00 C ATOM 785 O VAL A 65 1.009 7.873 -7.834 1.00 0.00 O ATOM 786 CB VAL A 65 0.954 6.730 -4.609 1.00 0.00 C ATOM 787 CG1 VAL A 65 -0.385 7.449 -4.718 1.00 0.00 C ATOM 788 CG2 VAL A 65 0.669 5.340 -4.050 1.00 0.00 C ATOM 0 H VAL A 65 3.302 6.200 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 65 1.256 5.810 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 65 1.598 7.330 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.852 7.499 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.226 8.459 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.036 6.904 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.126 5.430 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.067 4.777 -4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.610 4.817 -3.877 1.00 0.00 H new ATOM 798 N GLY A 66 2.364 8.921 -6.378 1.00 0.00 N ATOM 799 CA GLY A 66 2.501 10.160 -7.156 1.00 0.00 C ATOM 800 C GLY A 66 3.092 9.958 -8.563 1.00 0.00 C ATOM 801 O GLY A 66 2.812 10.746 -9.467 1.00 0.00 O ATOM 0 H GLY A 66 2.873 8.939 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.521 10.628 -7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.134 10.854 -6.604 1.00 0.00 H new ATOM 805 N GLY A 67 3.856 8.881 -8.769 1.00 0.00 N ATOM 806 CA GLY A 67 4.403 8.468 -10.065 1.00 0.00 C ATOM 807 C GLY A 67 3.357 7.930 -11.056 1.00 0.00 C ATOM 808 O GLY A 67 3.523 8.103 -12.266 1.00 0.00 O ATOM 0 H GLY A 67 4.120 8.251 -8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.911 9.319 -10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.157 7.699 -9.898 1.00 0.00 H new ATOM 812 N VAL A 68 2.270 7.313 -10.569 1.00 0.00 N ATOM 813 CA VAL A 68 1.146 6.841 -11.409 1.00 0.00 C ATOM 814 C VAL A 68 0.206 7.997 -11.777 1.00 0.00 C ATOM 815 O VAL A 68 -0.128 8.176 -12.950 1.00 0.00 O ATOM 816 CB VAL A 68 0.345 5.731 -10.695 1.00 0.00 C ATOM 817 CG1 VAL A 68 -0.835 5.225 -11.532 1.00 0.00 C ATOM 818 CG2 VAL A 68 1.224 4.516 -10.396 1.00 0.00 C ATOM 0 H VAL A 68 2.140 7.124 -9.575 1.00 0.00 H new ATOM 0 HA VAL A 68 1.577 6.432 -12.323 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.021 6.189 -9.776 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.363 4.446 -10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.517 6.051 -11.736 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.465 4.818 -12.473 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.630 3.752 -9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.618 4.113 -11.329 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.051 4.815 -9.752 1.00 0.00 H new ATOM 828 N GLY A 69 -0.196 8.796 -10.783 1.00 0.00 N ATOM 829 CA GLY A 69 -1.146 9.907 -10.938 1.00 0.00 C ATOM 830 C GLY A 69 -2.628 9.492 -10.918 1.00 0.00 C ATOM 831 O GLY A 69 -2.976 8.322 -11.096 1.00 0.00 O ATOM 0 H GLY A 69 0.137 8.687 -9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.974 10.629 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.938 10.417 -11.879 1.00 0.00 H new ATOM 835 N ALA A 70 -3.512 10.469 -10.693 1.00 0.00 N ATOM 836 CA ALA A 70 -4.951 10.248 -10.501 1.00 0.00 C ATOM 837 C ALA A 70 -5.735 9.888 -11.775 1.00 0.00 C ATOM 838 O ALA A 70 -5.297 10.124 -12.903 1.00 0.00 O ATOM 839 CB ALA A 70 -5.541 11.475 -9.806 1.00 0.00 C ATOM 0 H ALA A 70 -3.245 11.452 -10.638 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.055 9.360 -9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.611 11.328 -9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.054 11.616 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.380 12.357 -10.426 1.00 0.00 H new ATOM 845 N GLY A 71 -6.915 9.290 -11.570 1.00 0.00 N ATOM 846 CA GLY A 71 -7.786 8.752 -12.623 1.00 0.00 C ATOM 847 C GLY A 71 -7.301 7.426 -13.233 1.00 0.00 C ATOM 848 O GLY A 71 -8.057 6.772 -13.955 1.00 0.00 O ATOM 0 H GLY A 71 -7.303 9.163 -10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.785 8.605 -12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.875 9.493 -13.418 1.00 0.00 H new ATOM 852 N ALA A 72 -6.069 7.003 -12.928 1.00 0.00 N ATOM 853 CA ALA A 72 -5.548 5.674 -13.234 1.00 0.00 C ATOM 854 C ALA A 72 -6.331 4.565 -12.498 1.00 0.00 C ATOM 855 O ALA A 72 -7.001 4.810 -11.489 1.00 0.00 O ATOM 856 CB ALA A 72 -4.062 5.651 -12.860 1.00 0.00 C ATOM 0 H ALA A 72 -5.391 7.595 -12.448 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.669 5.471 -14.298 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.647 4.667 -13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.530 6.406 -13.438 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.951 5.863 -11.797 1.00 0.00 H new ATOM 862 N SER A 73 -6.225 3.329 -12.996 1.00 0.00 N ATOM 863 CA SER A 73 -6.862 2.154 -12.387 1.00 0.00 C ATOM 864 C SER A 73 -6.387 1.916 -10.947 1.00 0.00 C ATOM 865 O SER A 73 -5.223 2.164 -10.617 1.00 0.00 O ATOM 866 CB SER A 73 -6.579 0.919 -13.248 1.00 0.00 C ATOM 867 OG SER A 73 -7.249 -0.213 -12.718 1.00 0.00 O ATOM 0 H SER A 73 -5.692 3.113 -13.838 1.00 0.00 H new ATOM 0 HA SER A 73 -7.935 2.340 -12.342 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.907 1.098 -14.272 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.506 0.731 -13.285 1.00 0.00 H new ATOM 0 HG SER A 73 -7.062 -0.996 -13.278 1.00 0.00 H new ATOM 872 N ALA A 74 -7.256 1.352 -10.100 1.00 0.00 N ATOM 873 CA ALA A 74 -6.857 0.840 -8.791 1.00 0.00 C ATOM 874 C ALA A 74 -5.711 -0.182 -8.908 1.00 0.00 C ATOM 875 O ALA A 74 -4.793 -0.145 -8.092 1.00 0.00 O ATOM 876 CB ALA A 74 -8.074 0.236 -8.082 1.00 0.00 C ATOM 0 H ALA A 74 -8.249 1.240 -10.304 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.478 1.669 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.774 -0.145 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.838 1.003 -7.953 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.477 -0.580 -8.682 1.00 0.00 H new ATOM 882 N SER A 75 -5.699 -1.019 -9.957 1.00 0.00 N ATOM 883 CA SER A 75 -4.575 -1.920 -10.252 1.00 0.00 C ATOM 884 C SER A 75 -3.262 -1.185 -10.527 1.00 0.00 C ATOM 885 O SER A 75 -2.219 -1.690 -10.131 1.00 0.00 O ATOM 886 CB SER A 75 -4.879 -2.845 -11.439 1.00 0.00 C ATOM 887 OG SER A 75 -5.427 -4.069 -10.974 1.00 0.00 O ATOM 0 H SER A 75 -6.468 -1.090 -10.624 1.00 0.00 H new ATOM 0 HA SER A 75 -4.450 -2.512 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.579 -2.359 -12.119 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.967 -3.037 -12.004 1.00 0.00 H new ATOM 0 HG SER A 75 -5.620 -4.652 -11.738 1.00 0.00 H new ATOM 892 N ALA A 76 -3.268 -0.002 -11.152 1.00 0.00 N ATOM 893 CA ALA A 76 -2.041 0.761 -11.405 1.00 0.00 C ATOM 894 C ALA A 76 -1.438 1.324 -10.103 1.00 0.00 C ATOM 895 O ALA A 76 -0.246 1.141 -9.854 1.00 0.00 O ATOM 896 CB ALA A 76 -2.330 1.867 -12.426 1.00 0.00 C ATOM 0 H ALA A 76 -4.116 0.450 -11.494 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.290 0.089 -11.821 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.419 2.435 -12.615 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.679 1.420 -13.357 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.098 2.533 -12.033 1.00 0.00 H new ATOM 902 N TYR A 77 -2.257 1.938 -9.238 1.00 0.00 N ATOM 903 CA TYR A 77 -1.822 2.392 -7.910 1.00 0.00 C ATOM 904 C TYR A 77 -1.396 1.226 -7.006 1.00 0.00 C ATOM 905 O TYR A 77 -0.310 1.258 -6.426 1.00 0.00 O ATOM 906 CB TYR A 77 -2.952 3.161 -7.212 1.00 0.00 C ATOM 907 CG TYR A 77 -3.151 4.615 -7.601 1.00 0.00 C ATOM 908 CD1 TYR A 77 -2.063 5.512 -7.603 1.00 0.00 C ATOM 909 CD2 TYR A 77 -4.457 5.106 -7.799 1.00 0.00 C ATOM 910 CE1 TYR A 77 -2.290 6.892 -7.758 1.00 0.00 C ATOM 911 CE2 TYR A 77 -4.690 6.490 -7.914 1.00 0.00 C ATOM 912 CZ TYR A 77 -3.601 7.388 -7.862 1.00 0.00 C ATOM 913 OH TYR A 77 -3.804 8.731 -7.844 1.00 0.00 O ATOM 0 H TYR A 77 -3.238 2.134 -9.439 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.960 3.040 -8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.886 2.631 -7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.773 3.121 -6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.056 5.140 -7.486 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.285 4.416 -7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.453 7.573 -7.797 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.696 6.863 -8.041 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.023 9.185 -8.225 1.00 0.00 H new ATOM 922 N ALA A 78 -2.223 0.183 -6.908 1.00 0.00 N ATOM 923 CA ALA A 78 -1.948 -1.013 -6.118 1.00 0.00 C ATOM 924 C ALA A 78 -0.666 -1.719 -6.584 1.00 0.00 C ATOM 925 O ALA A 78 0.169 -2.073 -5.753 1.00 0.00 O ATOM 926 CB ALA A 78 -3.167 -1.937 -6.203 1.00 0.00 C ATOM 0 H ALA A 78 -3.122 0.148 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.775 -0.732 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.982 -2.838 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.042 -1.422 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.345 -2.209 -7.243 1.00 0.00 H new ATOM 932 N ASN A 79 -0.462 -1.855 -7.899 1.00 0.00 N ATOM 933 CA ASN A 79 0.785 -2.360 -8.467 1.00 0.00 C ATOM 934 C ASN A 79 1.972 -1.455 -8.130 1.00 0.00 C ATOM 935 O ASN A 79 2.992 -1.979 -7.708 1.00 0.00 O ATOM 936 CB ASN A 79 0.652 -2.535 -9.988 1.00 0.00 C ATOM 937 CG ASN A 79 1.956 -2.991 -10.623 1.00 0.00 C ATOM 938 OD1 ASN A 79 2.427 -4.099 -10.409 1.00 0.00 O ATOM 939 ND2 ASN A 79 2.588 -2.147 -11.405 1.00 0.00 N ATOM 0 H ASN A 79 -1.163 -1.615 -8.600 1.00 0.00 H new ATOM 0 HA ASN A 79 0.980 -3.334 -8.017 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.130 -3.263 -10.202 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.341 -1.591 -10.436 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.473 -2.415 -11.835 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.194 -1.223 -11.583 1.00 0.00 H new ATOM 945 N ALA A 80 1.869 -0.129 -8.266 1.00 0.00 N ATOM 946 CA ALA A 80 2.969 0.784 -7.934 1.00 0.00 C ATOM 947 C ALA A 80 3.373 0.717 -6.451 1.00 0.00 C ATOM 948 O ALA A 80 4.564 0.711 -6.146 1.00 0.00 O ATOM 949 CB ALA A 80 2.588 2.204 -8.351 1.00 0.00 C ATOM 0 H ALA A 80 1.029 0.339 -8.606 1.00 0.00 H new ATOM 0 HA ALA A 80 3.851 0.468 -8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.402 2.886 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.403 2.231 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.687 2.510 -7.820 1.00 0.00 H new ATOM 955 N ILE A 81 2.408 0.593 -5.535 1.00 0.00 N ATOM 956 CA ILE A 81 2.667 0.355 -4.106 1.00 0.00 C ATOM 957 C ILE A 81 3.277 -1.032 -3.878 1.00 0.00 C ATOM 958 O ILE A 81 4.275 -1.139 -3.172 1.00 0.00 O ATOM 959 CB ILE A 81 1.371 0.548 -3.292 1.00 0.00 C ATOM 960 CG1 ILE A 81 0.987 2.042 -3.284 1.00 0.00 C ATOM 961 CG2 ILE A 81 1.517 0.053 -1.842 1.00 0.00 C ATOM 962 CD1 ILE A 81 -0.495 2.244 -2.967 1.00 0.00 C ATOM 0 H ILE A 81 1.416 0.655 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 81 3.397 1.086 -3.758 1.00 0.00 H new ATOM 0 HB ILE A 81 0.591 -0.045 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.592 2.569 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.214 2.481 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.580 0.209 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.761 -1.009 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.314 0.608 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.726 3.309 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.100 1.739 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.717 1.828 -1.984 1.00 0.00 H new ATOM 973 N ALA A 82 2.746 -2.087 -4.501 1.00 0.00 N ATOM 974 CA ALA A 82 3.310 -3.436 -4.416 1.00 0.00 C ATOM 975 C ALA A 82 4.732 -3.524 -5.005 1.00 0.00 C ATOM 976 O ALA A 82 5.576 -4.229 -4.458 1.00 0.00 O ATOM 977 CB ALA A 82 2.351 -4.419 -5.092 1.00 0.00 C ATOM 0 H ALA A 82 1.909 -2.029 -5.081 1.00 0.00 H new ATOM 0 HA ALA A 82 3.416 -3.701 -3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.762 -5.427 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.386 -4.391 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.221 -4.140 -6.138 1.00 0.00 H new ATOM 983 N ARG A 83 5.034 -2.759 -6.063 1.00 0.00 N ATOM 984 CA ARG A 83 6.382 -2.533 -6.612 1.00 0.00 C ATOM 985 C ARG A 83 7.260 -1.747 -5.643 1.00 0.00 C ATOM 986 O ARG A 83 8.422 -2.089 -5.505 1.00 0.00 O ATOM 987 CB ARG A 83 6.299 -1.861 -8.010 1.00 0.00 C ATOM 988 CG ARG A 83 7.372 -0.787 -8.275 1.00 0.00 C ATOM 989 CD ARG A 83 7.327 -0.196 -9.683 1.00 0.00 C ATOM 990 NE ARG A 83 8.357 0.855 -9.798 1.00 0.00 N ATOM 991 CZ ARG A 83 8.713 1.525 -10.878 1.00 0.00 C ATOM 992 NH1 ARG A 83 8.130 1.352 -12.030 1.00 0.00 N ATOM 993 NH2 ARG A 83 9.681 2.392 -10.811 1.00 0.00 N ATOM 0 H ARG A 83 4.315 -2.258 -6.584 1.00 0.00 H new ATOM 0 HA ARG A 83 6.862 -3.503 -6.744 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.382 -2.634 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.315 -1.406 -8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.252 0.018 -7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.357 -1.223 -8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.501 -0.976 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.340 0.221 -9.885 1.00 0.00 H new ATOM 0 HE ARG A 83 8.854 1.092 -8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.369 0.679 -12.120 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.435 1.890 -12.842 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.162 2.552 -9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.959 2.912 -11.644 1.00 0.00 H new ATOM 1004 N ALA A 84 6.760 -0.703 -4.988 1.00 0.00 N ATOM 1005 CA ALA A 84 7.586 0.150 -4.132 1.00 0.00 C ATOM 1006 C ALA A 84 7.866 -0.475 -2.754 1.00 0.00 C ATOM 1007 O ALA A 84 8.977 -0.364 -2.240 1.00 0.00 O ATOM 1008 CB ALA A 84 6.932 1.525 -4.048 1.00 0.00 C ATOM 0 H ALA A 84 5.780 -0.424 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 84 8.575 0.256 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.534 2.176 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.861 1.956 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.933 1.427 -3.624 1.00 0.00 H new ATOM 1014 N ALA A 85 6.907 -1.217 -2.199 1.00 0.00 N ATOM 1015 CA ALA A 85 7.130 -2.132 -1.085 1.00 0.00 C ATOM 1016 C ALA A 85 8.035 -3.306 -1.509 1.00 0.00 C ATOM 1017 O ALA A 85 9.029 -3.605 -0.848 1.00 0.00 O ATOM 1018 CB ALA A 85 5.765 -2.628 -0.598 1.00 0.00 C ATOM 0 H ALA A 85 5.938 -1.197 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 85 7.644 -1.617 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.904 -3.315 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.164 -1.779 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.254 -3.143 -1.411 1.00 0.00 H new ATOM 1024 N GLY A 86 7.734 -3.933 -2.650 1.00 0.00 N ATOM 1025 CA GLY A 86 8.475 -5.066 -3.203 1.00 0.00 C ATOM 1026 C GLY A 86 9.940 -4.752 -3.506 1.00 0.00 C ATOM 1027 O GLY A 86 10.810 -5.487 -3.060 1.00 0.00 O ATOM 0 H GLY A 86 6.943 -3.656 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.429 -5.897 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.986 -5.396 -4.120 1.00 0.00 H new ATOM 1031 N GLN A 87 10.242 -3.644 -4.190 1.00 0.00 N ATOM 1032 CA GLN A 87 11.613 -3.195 -4.470 1.00 0.00 C ATOM 1033 C GLN A 87 12.376 -2.856 -3.182 1.00 0.00 C ATOM 1034 O GLN A 87 13.575 -3.103 -3.104 1.00 0.00 O ATOM 1035 CB GLN A 87 11.637 -2.012 -5.468 1.00 0.00 C ATOM 1036 CG GLN A 87 11.388 -0.642 -4.810 1.00 0.00 C ATOM 1037 CD GLN A 87 11.126 0.523 -5.763 1.00 0.00 C ATOM 1038 OE1 GLN A 87 11.183 0.431 -6.983 1.00 0.00 O ATOM 1039 NE2 GLN A 87 10.815 1.682 -5.221 1.00 0.00 N ATOM 0 H GLN A 87 9.530 -3.022 -4.572 1.00 0.00 H new ATOM 0 HA GLN A 87 12.130 -4.030 -4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.603 -1.993 -5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.881 -2.180 -6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.535 -0.734 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 87 12.253 -0.394 -4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.764 1.773 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.625 2.489 -5.816 1.00 0.00 H new ATOM 1046 N PHE A 88 11.695 -2.327 -2.157 1.00 0.00 N ATOM 1047 CA PHE A 88 12.306 -2.071 -0.854 1.00 0.00 C ATOM 1048 C PHE A 88 12.703 -3.395 -0.185 1.00 0.00 C ATOM 1049 O PHE A 88 13.850 -3.582 0.211 1.00 0.00 O ATOM 1050 CB PHE A 88 11.348 -1.241 0.011 1.00 0.00 C ATOM 1051 CG PHE A 88 11.985 -0.743 1.289 1.00 0.00 C ATOM 1052 CD1 PHE A 88 11.978 -1.546 2.445 1.00 0.00 C ATOM 1053 CD2 PHE A 88 12.611 0.516 1.314 1.00 0.00 C ATOM 1054 CE1 PHE A 88 12.608 -1.095 3.619 1.00 0.00 C ATOM 1055 CE2 PHE A 88 13.237 0.969 2.489 1.00 0.00 C ATOM 1056 CZ PHE A 88 13.240 0.162 3.640 1.00 0.00 C ATOM 0 H PHE A 88 10.710 -2.067 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 88 13.221 -1.492 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.992 -0.388 -0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.475 -1.845 0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.489 -2.509 2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.611 1.136 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.607 -1.714 4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.716 1.937 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.727 0.507 4.540 1.00 0.00 H new ATOM 1065 N LEU A 89 11.791 -4.370 -0.137 1.00 0.00 N ATOM 1066 CA LEU A 89 12.097 -5.718 0.348 1.00 0.00 C ATOM 1067 C LEU A 89 13.088 -6.477 -0.561 1.00 0.00 C ATOM 1068 O LEU A 89 13.818 -7.337 -0.075 1.00 0.00 O ATOM 1069 CB LEU A 89 10.777 -6.477 0.594 1.00 0.00 C ATOM 1070 CG LEU A 89 9.878 -5.837 1.679 1.00 0.00 C ATOM 1071 CD1 LEU A 89 8.673 -6.735 1.947 1.00 0.00 C ATOM 1072 CD2 LEU A 89 10.576 -5.590 3.021 1.00 0.00 C ATOM 0 H LEU A 89 10.822 -4.247 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 89 12.625 -5.639 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.220 -6.529 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.007 -7.502 0.885 1.00 0.00 H new ATOM 0 HG LEU A 89 9.593 -4.866 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.043 -6.280 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.098 -6.857 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.016 -7.710 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.871 -5.140 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.933 -6.537 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.421 -4.917 2.873 1.00 0.00 H new ATOM 1083 N ALA A 90 13.195 -6.136 -1.848 1.00 0.00 N ATOM 1084 CA ALA A 90 14.229 -6.641 -2.751 1.00 0.00 C ATOM 1085 C ALA A 90 15.626 -6.117 -2.362 1.00 0.00 C ATOM 1086 O ALA A 90 16.557 -6.905 -2.191 1.00 0.00 O ATOM 1087 CB ALA A 90 13.874 -6.262 -4.198 1.00 0.00 C ATOM 0 H ALA A 90 12.551 -5.487 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 90 14.266 -7.727 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.644 -6.638 -4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.913 -6.702 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.813 -5.177 -4.286 1.00 0.00 H new ATOM 1093 N THR A 91 15.779 -4.800 -2.164 1.00 0.00 N ATOM 1094 CA THR A 91 17.065 -4.176 -1.793 1.00 0.00 C ATOM 1095 C THR A 91 17.490 -4.486 -0.352 1.00 0.00 C ATOM 1096 O THR A 91 18.690 -4.572 -0.081 1.00 0.00 O ATOM 1097 CB THR A 91 17.066 -2.654 -2.023 1.00 0.00 C ATOM 1098 OG1 THR A 91 16.019 -2.026 -1.316 1.00 0.00 O ATOM 1099 CG2 THR A 91 16.925 -2.304 -3.508 1.00 0.00 C ATOM 0 H THR A 91 15.014 -4.132 -2.256 1.00 0.00 H new ATOM 0 HA THR A 91 17.800 -4.627 -2.460 1.00 0.00 H new ATOM 0 HB THR A 91 18.026 -2.291 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.482 -2.704 -0.855 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.930 -1.221 -3.629 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.758 -2.735 -4.064 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.987 -2.707 -3.889 1.00 0.00 H new ATOM 1107 N GLN A 92 16.544 -4.748 0.561 1.00 0.00 N ATOM 1108 CA GLN A 92 16.820 -5.295 1.900 1.00 0.00 C ATOM 1109 C GLN A 92 17.122 -6.814 1.912 1.00 0.00 C ATOM 1110 O GLN A 92 17.454 -7.358 2.968 1.00 0.00 O ATOM 1111 CB GLN A 92 15.660 -4.980 2.870 1.00 0.00 C ATOM 1112 CG GLN A 92 15.420 -3.484 3.143 1.00 0.00 C ATOM 1113 CD GLN A 92 16.691 -2.700 3.464 1.00 0.00 C ATOM 1114 OE1 GLN A 92 17.410 -2.978 4.416 1.00 0.00 O ATOM 1115 NE2 GLN A 92 17.026 -1.700 2.676 1.00 0.00 N ATOM 0 H GLN A 92 15.552 -4.584 0.389 1.00 0.00 H new ATOM 0 HA GLN A 92 17.731 -4.798 2.235 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.744 -5.411 2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.856 -5.479 3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.941 -3.038 2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.724 -3.384 3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.436 -1.458 1.880 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.876 -1.167 2.862 1.00 0.00 H new ATOM 1122 N GLY A 93 17.012 -7.519 0.778 1.00 0.00 N ATOM 1123 CA GLY A 93 17.235 -8.971 0.692 1.00 0.00 C ATOM 1124 C GLY A 93 16.179 -9.820 1.421 1.00 0.00 C ATOM 1125 O GLY A 93 16.475 -10.926 1.872 1.00 0.00 O ATOM 0 H GLY A 93 16.763 -7.094 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 93 17.255 -9.262 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 93 18.217 -9.201 1.105 1.00 0.00 H new ATOM 1129 N VAL A 94 14.959 -9.292 1.568 1.00 0.00 N ATOM 1130 CA VAL A 94 13.790 -9.974 2.154 1.00 0.00 C ATOM 1131 C VAL A 94 13.029 -10.802 1.108 1.00 0.00 C ATOM 1132 O VAL A 94 12.478 -11.848 1.452 1.00 0.00 O ATOM 1133 CB VAL A 94 12.869 -8.938 2.837 1.00 0.00 C ATOM 1134 CG1 VAL A 94 11.479 -9.478 3.196 1.00 0.00 C ATOM 1135 CG2 VAL A 94 13.526 -8.414 4.121 1.00 0.00 C ATOM 0 H VAL A 94 14.746 -8.340 1.271 1.00 0.00 H new ATOM 0 HA VAL A 94 14.144 -10.677 2.908 1.00 0.00 H new ATOM 0 HB VAL A 94 12.731 -8.144 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.894 -8.690 3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.972 -9.810 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.581 -10.318 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.869 -7.685 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.700 -9.244 4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 94 14.477 -7.941 3.876 1.00 0.00 H new ATOM 1145 N LEU A 95 13.021 -10.400 -0.170 1.00 0.00 N ATOM 1146 CA LEU A 95 12.513 -11.254 -1.253 1.00 0.00 C ATOM 1147 C LEU A 95 13.479 -12.425 -1.508 1.00 0.00 C ATOM 1148 O LEU A 95 14.622 -12.215 -1.909 1.00 0.00 O ATOM 1149 CB LEU A 95 12.265 -10.443 -2.544 1.00 0.00 C ATOM 1150 CG LEU A 95 11.218 -9.320 -2.441 1.00 0.00 C ATOM 1151 CD1 LEU A 95 10.864 -8.814 -3.839 1.00 0.00 C ATOM 1152 CD2 LEU A 95 9.916 -9.759 -1.778 1.00 0.00 C ATOM 0 H LEU A 95 13.360 -9.489 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 95 11.552 -11.662 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.211 -10.004 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.954 -11.132 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 95 11.674 -8.546 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.122 -8.019 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.761 -8.428 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.456 -9.634 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.225 -8.917 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.469 -10.569 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 95 10.122 -10.106 -0.765 1.00 0.00 H new ATOM 1163 N ASN A 96 13.004 -13.657 -1.296 1.00 0.00 N ATOM 1164 CA ASN A 96 13.748 -14.907 -1.509 1.00 0.00 C ATOM 1165 C ASN A 96 12.843 -15.955 -2.181 1.00 0.00 C ATOM 1166 O ASN A 96 11.643 -15.991 -1.907 1.00 0.00 O ATOM 1167 CB ASN A 96 14.224 -15.477 -0.155 1.00 0.00 C ATOM 1168 CG ASN A 96 14.866 -14.479 0.796 1.00 0.00 C ATOM 1169 OD1 ASN A 96 15.903 -13.894 0.524 1.00 0.00 O ATOM 1170 ND2 ASN A 96 14.288 -14.290 1.962 1.00 0.00 N ATOM 0 H ASN A 96 12.055 -13.819 -0.959 1.00 0.00 H new ATOM 0 HA ASN A 96 14.605 -14.689 -2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 96 13.369 -15.930 0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 96 14.939 -16.276 -0.350 1.00 0.00 H new ATOM 0 HD21 ASN A 96 14.706 -13.654 2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.422 -14.780 2.187 1.00 0.00 H new ATOM 1176 N ALA A 97 13.406 -16.891 -2.953 1.00 0.00 N ATOM 1177 CA ALA A 97 12.658 -18.021 -3.534 1.00 0.00 C ATOM 1178 C ALA A 97 11.943 -18.924 -2.494 1.00 0.00 C ATOM 1179 O ALA A 97 11.059 -19.702 -2.856 1.00 0.00 O ATOM 1180 CB ALA A 97 13.612 -18.828 -4.421 1.00 0.00 C ATOM 0 H ALA A 97 14.397 -16.890 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 97 11.843 -17.604 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.076 -19.669 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.998 -18.189 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 97 14.441 -19.200 -3.819 1.00 0.00 H new ATOM 1186 N VAL A 98 12.286 -18.784 -1.203 1.00 0.00 N ATOM 1187 CA VAL A 98 11.577 -19.347 -0.037 1.00 0.00 C ATOM 1188 C VAL A 98 10.064 -19.088 -0.107 1.00 0.00 C ATOM 1189 O VAL A 98 9.280 -20.024 0.054 1.00 0.00 O ATOM 1190 CB VAL A 98 12.146 -18.757 1.278 1.00 0.00 C ATOM 1191 CG1 VAL A 98 11.522 -19.387 2.529 1.00 0.00 C ATOM 1192 CG2 VAL A 98 13.666 -18.939 1.397 1.00 0.00 C ATOM 0 H VAL A 98 13.108 -18.247 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 98 11.736 -20.425 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 98 11.895 -17.698 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.958 -18.935 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.446 -19.215 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.718 -20.459 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 98 14.012 -18.508 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 98 13.908 -20.002 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 98 14.159 -18.437 0.564 1.00 0.00 H new ATOM 1202 N ASN A 99 9.661 -17.831 -0.358 1.00 0.00 N ATOM 1203 CA ASN A 99 8.261 -17.371 -0.392 1.00 0.00 C ATOM 1204 C ASN A 99 8.080 -15.894 -0.828 1.00 0.00 C ATOM 1205 O ASN A 99 7.167 -15.228 -0.344 1.00 0.00 O ATOM 1206 CB ASN A 99 7.524 -17.694 0.943 1.00 0.00 C ATOM 1207 CG ASN A 99 8.243 -17.356 2.243 1.00 0.00 C ATOM 1208 OD1 ASN A 99 8.122 -18.066 3.232 1.00 0.00 O ATOM 1209 ND2 ASN A 99 9.001 -16.287 2.321 1.00 0.00 N ATOM 0 H ASN A 99 10.324 -17.080 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 99 7.783 -17.946 -1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.571 -17.164 0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.296 -18.760 0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.476 -16.061 3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.115 -15.682 1.508 1.00 0.00 H new ATOM 1215 N ALA A 100 8.916 -15.342 -1.718 1.00 0.00 N ATOM 1216 CA ALA A 100 8.766 -13.973 -2.247 1.00 0.00 C ATOM 1217 C ALA A 100 7.346 -13.662 -2.758 1.00 0.00 C ATOM 1218 O ALA A 100 6.849 -12.557 -2.552 1.00 0.00 O ATOM 1219 CB ALA A 100 9.792 -13.748 -3.364 1.00 0.00 C ATOM 0 H ALA A 100 9.724 -15.835 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 100 8.944 -13.288 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.685 -12.737 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.798 -13.877 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.623 -14.469 -4.164 1.00 0.00 H new ATOM 1225 N SER A 101 6.671 -14.652 -3.357 1.00 0.00 N ATOM 1226 CA SER A 101 5.246 -14.570 -3.689 1.00 0.00 C ATOM 1227 C SER A 101 4.388 -14.351 -2.434 1.00 0.00 C ATOM 1228 O SER A 101 3.784 -13.294 -2.276 1.00 0.00 O ATOM 1229 CB SER A 101 4.818 -15.822 -4.466 1.00 0.00 C ATOM 1230 OG SER A 101 3.566 -15.617 -5.094 1.00 0.00 O ATOM 0 H SER A 101 7.102 -15.536 -3.626 1.00 0.00 H new ATOM 0 HA SER A 101 5.086 -13.702 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.571 -16.066 -5.216 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.755 -16.673 -3.788 1.00 0.00 H new ATOM 0 HG SER A 101 3.311 -16.425 -5.586 1.00 0.00 H new ATOM 1235 N SER A 102 4.401 -15.287 -1.477 1.00 0.00 N ATOM 1236 CA SER A 102 3.567 -15.221 -0.260 1.00 0.00 C ATOM 1237 C SER A 102 3.860 -14.011 0.648 1.00 0.00 C ATOM 1238 O SER A 102 2.950 -13.480 1.289 1.00 0.00 O ATOM 1239 CB SER A 102 3.695 -16.529 0.529 1.00 0.00 C ATOM 1240 OG SER A 102 2.452 -16.870 1.122 1.00 0.00 O ATOM 0 H SER A 102 4.992 -16.117 -1.521 1.00 0.00 H new ATOM 0 HA SER A 102 2.541 -15.083 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.022 -17.331 -0.133 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.457 -16.423 1.301 1.00 0.00 H new ATOM 0 HG SER A 102 2.547 -17.708 1.621 1.00 0.00 H new ATOM 1245 N LEU A 103 5.099 -13.498 0.661 1.00 0.00 N ATOM 1246 CA LEU A 103 5.454 -12.235 1.331 1.00 0.00 C ATOM 1247 C LEU A 103 4.724 -11.015 0.736 1.00 0.00 C ATOM 1248 O LEU A 103 4.429 -10.061 1.457 1.00 0.00 O ATOM 1249 CB LEU A 103 6.979 -12.022 1.280 1.00 0.00 C ATOM 1250 CG LEU A 103 7.798 -13.002 2.139 1.00 0.00 C ATOM 1251 CD1 LEU A 103 9.288 -12.747 1.913 1.00 0.00 C ATOM 1252 CD2 LEU A 103 7.511 -12.871 3.636 1.00 0.00 C ATOM 0 H LEU A 103 5.890 -13.951 0.204 1.00 0.00 H new ATOM 0 HA LEU A 103 5.128 -12.321 2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.309 -12.106 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.200 -11.005 1.604 1.00 0.00 H new ATOM 0 HG LEU A 103 7.510 -14.007 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.872 -13.439 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.527 -12.897 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.529 -11.723 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.119 -13.588 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.753 -11.861 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.456 -13.070 3.823 1.00 0.00 H new ATOM 1263 N GLY A 104 4.367 -11.063 -0.550 1.00 0.00 N ATOM 1264 CA GLY A 104 3.519 -10.061 -1.197 1.00 0.00 C ATOM 1265 C GLY A 104 2.094 -10.064 -0.651 1.00 0.00 C ATOM 1266 O GLY A 104 1.532 -9.003 -0.382 1.00 0.00 O ATOM 0 H GLY A 104 4.663 -11.809 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.957 -9.073 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.494 -10.249 -2.270 1.00 0.00 H new ATOM 1270 N SER A 105 1.546 -11.256 -0.390 1.00 0.00 N ATOM 1271 CA SER A 105 0.305 -11.417 0.376 1.00 0.00 C ATOM 1272 C SER A 105 0.443 -10.853 1.792 1.00 0.00 C ATOM 1273 O SER A 105 -0.443 -10.129 2.229 1.00 0.00 O ATOM 1274 CB SER A 105 -0.132 -12.890 0.443 1.00 0.00 C ATOM 1275 OG SER A 105 -1.218 -13.117 -0.438 1.00 0.00 O ATOM 0 H SER A 105 1.951 -12.138 -0.704 1.00 0.00 H new ATOM 0 HA SER A 105 -0.464 -10.852 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.703 -13.538 0.177 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.421 -13.145 1.462 1.00 0.00 H new ATOM 0 HG SER A 105 -1.488 -14.058 -0.389 1.00 0.00 H new ATOM 1280 N ALA A 106 1.552 -11.103 2.500 1.00 0.00 N ATOM 1281 CA ALA A 106 1.770 -10.556 3.846 1.00 0.00 C ATOM 1282 C ALA A 106 1.752 -9.011 3.877 1.00 0.00 C ATOM 1283 O ALA A 106 1.060 -8.421 4.711 1.00 0.00 O ATOM 1284 CB ALA A 106 3.071 -11.127 4.426 1.00 0.00 C ATOM 0 H ALA A 106 2.318 -11.685 2.160 1.00 0.00 H new ATOM 0 HA ALA A 106 0.935 -10.866 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 106 3.233 -10.721 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.998 -12.213 4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.907 -10.853 3.783 1.00 0.00 H new ATOM 1290 N LEU A 107 2.448 -8.346 2.945 1.00 0.00 N ATOM 1291 CA LEU A 107 2.456 -6.879 2.834 1.00 0.00 C ATOM 1292 C LEU A 107 1.083 -6.331 2.409 1.00 0.00 C ATOM 1293 O LEU A 107 0.574 -5.388 3.012 1.00 0.00 O ATOM 1294 CB LEU A 107 3.575 -6.465 1.857 1.00 0.00 C ATOM 1295 CG LEU A 107 4.118 -5.023 1.960 1.00 0.00 C ATOM 1296 CD1 LEU A 107 3.112 -3.921 1.634 1.00 0.00 C ATOM 1297 CD2 LEU A 107 4.734 -4.725 3.324 1.00 0.00 C ATOM 0 H LEU A 107 3.024 -8.811 2.244 1.00 0.00 H new ATOM 0 HA LEU A 107 2.658 -6.442 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.412 -7.150 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.206 -6.613 0.842 1.00 0.00 H new ATOM 0 HG LEU A 107 4.884 -5.002 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.592 -2.948 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.756 -4.044 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.269 -3.983 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.100 -3.698 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.980 -4.855 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.563 -5.409 3.506 1.00 0.00 H new ATOM 1308 N ALA A 108 0.433 -6.944 1.418 1.00 0.00 N ATOM 1309 CA ALA A 108 -0.902 -6.528 0.987 1.00 0.00 C ATOM 1310 C ALA A 108 -1.985 -6.766 2.053 1.00 0.00 C ATOM 1311 O ALA A 108 -2.898 -5.954 2.175 1.00 0.00 O ATOM 1312 CB ALA A 108 -1.234 -7.231 -0.323 1.00 0.00 C ATOM 0 H ALA A 108 0.812 -7.734 0.897 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.890 -5.449 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.227 -6.930 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.499 -6.957 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.214 -8.310 -0.172 1.00 0.00 H new ATOM 1318 N ASN A 109 -1.868 -7.815 2.872 1.00 0.00 N ATOM 1319 CA ASN A 109 -2.715 -8.020 4.049 1.00 0.00 C ATOM 1320 C ASN A 109 -2.462 -6.943 5.117 1.00 0.00 C ATOM 1321 O ASN A 109 -3.417 -6.460 5.721 1.00 0.00 O ATOM 1322 CB ASN A 109 -2.500 -9.437 4.618 1.00 0.00 C ATOM 1323 CG ASN A 109 -3.027 -10.556 3.725 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -3.810 -10.360 2.803 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -2.632 -11.782 3.988 1.00 0.00 N ATOM 0 H ASN A 109 -1.176 -8.552 2.735 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.757 -7.927 3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.434 -9.592 4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.987 -9.504 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -2.977 -12.560 3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.980 -11.955 4.754 1.00 0.00 H new ATOM 1331 N ALA A 110 -1.211 -6.507 5.314 1.00 0.00 N ATOM 1332 CA ALA A 110 -0.880 -5.393 6.208 1.00 0.00 C ATOM 1333 C ALA A 110 -1.473 -4.052 5.725 1.00 0.00 C ATOM 1334 O ALA A 110 -2.104 -3.342 6.508 1.00 0.00 O ATOM 1335 CB ALA A 110 0.642 -5.315 6.368 1.00 0.00 C ATOM 0 H ALA A 110 -0.398 -6.919 4.856 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.335 -5.583 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.896 -4.489 7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.012 -6.248 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.102 -5.152 5.393 1.00 0.00 H new ATOM 1341 N LEU A 111 -1.346 -3.726 4.432 1.00 0.00 N ATOM 1342 CA LEU A 111 -2.010 -2.560 3.833 1.00 0.00 C ATOM 1343 C LEU A 111 -3.542 -2.683 3.856 1.00 0.00 C ATOM 1344 O LEU A 111 -4.213 -1.685 4.093 1.00 0.00 O ATOM 1345 CB LEU A 111 -1.505 -2.326 2.398 1.00 0.00 C ATOM 1346 CG LEU A 111 -0.103 -1.693 2.316 1.00 0.00 C ATOM 1347 CD1 LEU A 111 0.357 -1.701 0.860 1.00 0.00 C ATOM 1348 CD2 LEU A 111 -0.084 -0.235 2.792 1.00 0.00 C ATOM 0 H LEU A 111 -0.781 -4.262 3.773 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.750 -1.695 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.492 -3.279 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.213 -1.682 1.876 1.00 0.00 H new ATOM 0 HG LEU A 111 0.551 -2.279 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.349 -1.255 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.394 -2.728 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.343 -1.126 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.929 0.161 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.755 0.359 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.412 -0.187 3.830 1.00 0.00 H new ATOM 1359 N SER A 112 -4.102 -3.883 3.668 1.00 0.00 N ATOM 1360 CA SER A 112 -5.541 -4.154 3.810 1.00 0.00 C ATOM 1361 C SER A 112 -6.037 -3.901 5.240 1.00 0.00 C ATOM 1362 O SER A 112 -7.061 -3.244 5.425 1.00 0.00 O ATOM 1363 CB SER A 112 -5.852 -5.590 3.377 1.00 0.00 C ATOM 1364 OG SER A 112 -7.244 -5.845 3.445 1.00 0.00 O ATOM 0 H SER A 112 -3.561 -4.708 3.409 1.00 0.00 H new ATOM 0 HA SER A 112 -6.073 -3.461 3.159 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.497 -5.753 2.359 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.317 -6.292 4.017 1.00 0.00 H new ATOM 0 HG SER A 112 -7.422 -6.767 3.163 1.00 0.00 H new ATOM 1369 N ASP A 113 -5.277 -4.322 6.259 1.00 0.00 N ATOM 1370 CA ASP A 113 -5.535 -3.991 7.668 1.00 0.00 C ATOM 1371 C ASP A 113 -5.592 -2.468 7.883 1.00 0.00 C ATOM 1372 O ASP A 113 -6.534 -1.945 8.482 1.00 0.00 O ATOM 1373 CB ASP A 113 -4.444 -4.615 8.572 1.00 0.00 C ATOM 1374 CG ASP A 113 -4.966 -5.701 9.533 1.00 0.00 C ATOM 1375 OD1 ASP A 113 -6.098 -5.581 10.057 1.00 0.00 O ATOM 1376 OD2 ASP A 113 -4.216 -6.672 9.805 1.00 0.00 O ATOM 0 H ASP A 113 -4.454 -4.910 6.127 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.506 -4.407 7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.668 -5.047 7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.975 -3.823 9.156 1.00 0.00 H new ATOM 1380 N SER A 114 -4.615 -1.741 7.338 1.00 0.00 N ATOM 1381 CA SER A 114 -4.532 -0.280 7.432 1.00 0.00 C ATOM 1382 C SER A 114 -5.589 0.463 6.605 1.00 0.00 C ATOM 1383 O SER A 114 -6.029 1.540 6.998 1.00 0.00 O ATOM 1384 CB SER A 114 -3.143 0.174 7.008 1.00 0.00 C ATOM 1385 OG SER A 114 -2.183 -0.414 7.858 1.00 0.00 O ATOM 0 H SER A 114 -3.847 -2.156 6.811 1.00 0.00 H new ATOM 0 HA SER A 114 -4.730 -0.028 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 114 -2.954 -0.112 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.072 1.261 7.056 1.00 0.00 H new ATOM 0 HG SER A 114 -2.041 -1.347 7.595 1.00 0.00 H new ATOM 1390 N ALA A 115 -6.041 -0.098 5.485 1.00 0.00 N ATOM 1391 CA ALA A 115 -7.127 0.448 4.672 1.00 0.00 C ATOM 1392 C ALA A 115 -8.509 0.214 5.308 1.00 0.00 C ATOM 1393 O ALA A 115 -9.350 1.113 5.302 1.00 0.00 O ATOM 1394 CB ALA A 115 -7.040 -0.185 3.287 1.00 0.00 C ATOM 0 H ALA A 115 -5.654 -0.964 5.109 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.014 1.530 4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.840 0.205 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.076 0.054 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.142 -1.267 3.374 1.00 0.00 H new ATOM 1400 N ALA A 116 -8.725 -0.946 5.935 1.00 0.00 N ATOM 1401 CA ALA A 116 -9.875 -1.182 6.806 1.00 0.00 C ATOM 1402 C ALA A 116 -9.863 -0.225 8.018 1.00 0.00 C ATOM 1403 O ALA A 116 -10.900 0.332 8.381 1.00 0.00 O ATOM 1404 CB ALA A 116 -9.877 -2.656 7.227 1.00 0.00 C ATOM 0 H ALA A 116 -8.103 -1.750 5.851 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.798 -0.972 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.730 -2.847 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.948 -3.287 6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.955 -2.883 7.762 1.00 0.00 H new ATOM 1410 N ASN A 117 -8.684 0.048 8.595 1.00 0.00 N ATOM 1411 CA ASN A 117 -8.497 1.085 9.614 1.00 0.00 C ATOM 1412 C ASN A 117 -8.762 2.515 9.086 1.00 0.00 C ATOM 1413 O ASN A 117 -9.328 3.330 9.809 1.00 0.00 O ATOM 1414 CB ASN A 117 -7.098 0.935 10.229 1.00 0.00 C ATOM 1415 CG ASN A 117 -6.833 1.953 11.325 1.00 0.00 C ATOM 1416 OD1 ASN A 117 -6.258 3.008 11.099 1.00 0.00 O ATOM 1417 ND2 ASN A 117 -7.238 1.673 12.542 1.00 0.00 N ATOM 0 H ASN A 117 -7.826 -0.452 8.363 1.00 0.00 H new ATOM 0 HA ASN A 117 -9.246 0.939 10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -6.990 -0.070 10.637 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -6.347 1.044 9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -7.073 2.336 13.300 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.718 0.793 12.730 1.00 0.00 H new ATOM 1423 N SER A 118 -8.454 2.824 7.820 1.00 0.00 N ATOM 1424 CA SER A 118 -8.821 4.107 7.185 1.00 0.00 C ATOM 1425 C SER A 118 -10.341 4.364 7.196 1.00 0.00 C ATOM 1426 O SER A 118 -10.788 5.508 7.313 1.00 0.00 O ATOM 1427 CB SER A 118 -8.282 4.169 5.750 1.00 0.00 C ATOM 1428 OG SER A 118 -8.258 5.511 5.291 1.00 0.00 O ATOM 0 H SER A 118 -7.943 2.194 7.202 1.00 0.00 H new ATOM 0 HA SER A 118 -8.360 4.896 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.278 3.747 5.713 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.907 3.564 5.093 1.00 0.00 H new ATOM 0 HG SER A 118 -7.911 5.537 4.375 1.00 0.00 H new