USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 392 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 41 SER OG : rot -139:sc= 0.026 USER MOD Set 1.2: A 43 THR OG1 : rot 174:sc= 1.02 USER MOD Set 1.3: A 44 THR OG1 : rot 162:sc= 0.622 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.864 K(o=0.86,f=-3!) USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 173:sc= 0.673 (180deg=0.634) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -92:sc= 0.0537 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -128:sc= 0.132 USER MOD Single : A 14 THR OG1 : rot -41:sc= 0.815 USER MOD Single : A 19 SER OG : rot -157:sc= 1.41 USER MOD Single : A 21 HIS : no HE2:sc= 0.759 K(o=0.76,f=-2.4!) USER MOD Single : A 22 LYS NZ :NH3+ 145:sc= 1.26 (180deg=0.496) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 1 (180deg=0.829) USER MOD Single : A 27 GLN : amide:sc= 1.49 K(o=1.5,f=-7.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -16:sc= 0.383 USER MOD Single : A 52 SER OG : rot -155:sc= 0.484 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 30.036 44.480 30.256 1.00 0.00 N ATOM 2 CA SER A 1 30.208 43.033 29.997 1.00 0.00 C ATOM 3 C SER A 1 31.682 42.589 29.965 1.00 0.00 C ATOM 4 O SER A 1 31.981 41.402 30.148 1.00 0.00 O ATOM 5 CB SER A 1 29.433 42.517 28.767 1.00 0.00 C ATOM 6 OG SER A 1 30.150 42.618 27.554 1.00 0.00 O ATOM 0 H1 SER A 1 29.034 44.735 30.148 1.00 0.00 H new ATOM 0 H2 SER A 1 30.346 44.699 31.224 1.00 0.00 H new ATOM 0 H3 SER A 1 30.607 45.024 29.578 1.00 0.00 H new ATOM 0 HA SER A 1 29.752 42.555 30.864 1.00 0.00 H new ATOM 0 HB2 SER A 1 29.162 41.474 28.932 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.502 43.077 28.675 1.00 0.00 H new ATOM 0 HG SER A 1 29.601 42.272 26.820 1.00 0.00 H new ATOM 12 N THR A 2 32.604 43.539 29.769 1.00 0.00 N ATOM 13 CA THR A 2 34.053 43.330 29.703 1.00 0.00 C ATOM 14 C THR A 2 34.673 43.153 31.084 1.00 0.00 C ATOM 15 O THR A 2 34.137 43.601 32.103 1.00 0.00 O ATOM 16 CB THR A 2 34.736 44.489 28.969 1.00 0.00 C ATOM 17 OG1 THR A 2 34.197 45.706 29.433 1.00 0.00 O ATOM 18 CG2 THR A 2 34.532 44.396 27.457 1.00 0.00 C ATOM 0 H THR A 2 32.347 44.519 29.647 1.00 0.00 H new ATOM 0 HA THR A 2 34.214 42.407 29.146 1.00 0.00 H new ATOM 0 HB THR A 2 35.806 44.438 29.170 1.00 0.00 H new ATOM 0 HG1 THR A 2 33.446 45.970 28.862 1.00 0.00 H new ATOM 0 HG21 THR A 2 35.030 45.234 26.970 1.00 0.00 H new ATOM 0 HG22 THR A 2 34.954 43.460 27.090 1.00 0.00 H new ATOM 0 HG23 THR A 2 33.466 44.427 27.231 1.00 0.00 H new ATOM 26 N LEU A 3 35.821 42.473 31.097 1.00 0.00 N ATOM 27 CA LEU A 3 36.590 42.119 32.289 1.00 0.00 C ATOM 28 C LEU A 3 37.953 42.832 32.368 1.00 0.00 C ATOM 29 O LEU A 3 38.436 43.415 31.395 1.00 0.00 O ATOM 30 CB LEU A 3 36.722 40.581 32.366 1.00 0.00 C ATOM 31 CG LEU A 3 37.545 39.920 31.235 1.00 0.00 C ATOM 32 CD1 LEU A 3 38.244 38.664 31.777 1.00 0.00 C ATOM 33 CD2 LEU A 3 36.679 39.527 30.025 1.00 0.00 C ATOM 0 H LEU A 3 36.259 42.140 30.238 1.00 0.00 H new ATOM 0 HA LEU A 3 36.046 42.474 33.164 1.00 0.00 H new ATOM 0 HB2 LEU A 3 37.178 40.321 33.321 1.00 0.00 H new ATOM 0 HB3 LEU A 3 35.722 40.148 32.363 1.00 0.00 H new ATOM 0 HG LEU A 3 38.274 40.656 30.896 1.00 0.00 H new ATOM 0 HD11 LEU A 3 38.824 38.198 30.980 1.00 0.00 H new ATOM 0 HD12 LEU A 3 38.909 38.942 32.595 1.00 0.00 H new ATOM 0 HD13 LEU A 3 37.496 37.960 32.141 1.00 0.00 H new ATOM 0 HD21 LEU A 3 37.307 39.068 29.262 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.914 38.818 30.340 1.00 0.00 H new ATOM 0 HD23 LEU A 3 36.202 40.417 29.615 1.00 0.00 H new ATOM 45 N PHE A 4 38.570 42.737 33.547 1.00 0.00 N ATOM 46 CA PHE A 4 39.779 43.455 33.950 1.00 0.00 C ATOM 47 C PHE A 4 40.453 42.832 35.186 1.00 0.00 C ATOM 48 O PHE A 4 39.815 42.110 35.953 1.00 0.00 O ATOM 49 CB PHE A 4 39.417 44.932 34.185 1.00 0.00 C ATOM 50 CG PHE A 4 40.571 45.891 34.005 1.00 0.00 C ATOM 51 CD1 PHE A 4 41.067 46.146 32.712 1.00 0.00 C ATOM 52 CD2 PHE A 4 41.129 46.556 35.110 1.00 0.00 C ATOM 53 CE1 PHE A 4 42.112 47.065 32.525 1.00 0.00 C ATOM 54 CE2 PHE A 4 42.164 47.489 34.921 1.00 0.00 C ATOM 55 CZ PHE A 4 42.657 47.742 33.629 1.00 0.00 C ATOM 0 H PHE A 4 38.221 42.125 34.285 1.00 0.00 H new ATOM 0 HA PHE A 4 40.514 43.379 33.149 1.00 0.00 H new ATOM 0 HB2 PHE A 4 38.617 45.212 33.499 1.00 0.00 H new ATOM 0 HB3 PHE A 4 39.023 45.041 35.196 1.00 0.00 H new ATOM 0 HD1 PHE A 4 40.642 45.633 31.862 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.763 46.350 36.105 1.00 0.00 H new ATOM 0 HE1 PHE A 4 42.497 47.251 31.533 1.00 0.00 H new ATOM 0 HE2 PHE A 4 42.581 48.012 35.769 1.00 0.00 H new ATOM 0 HZ PHE A 4 43.454 48.456 33.485 1.00 0.00 H new ATOM 65 N GLU A 5 41.758 43.068 35.353 1.00 0.00 N ATOM 66 CA GLU A 5 42.506 42.731 36.572 1.00 0.00 C ATOM 67 C GLU A 5 42.791 43.997 37.394 1.00 0.00 C ATOM 68 O GLU A 5 43.152 45.037 36.843 1.00 0.00 O ATOM 69 CB GLU A 5 43.846 42.055 36.233 1.00 0.00 C ATOM 70 CG GLU A 5 43.680 40.700 35.538 1.00 0.00 C ATOM 71 CD GLU A 5 45.035 40.004 35.334 1.00 0.00 C ATOM 72 OE1 GLU A 5 45.799 40.424 34.433 1.00 0.00 O ATOM 73 OE2 GLU A 5 45.326 39.021 36.056 1.00 0.00 O ATOM 0 H GLU A 5 42.335 43.505 34.635 1.00 0.00 H new ATOM 0 HA GLU A 5 41.891 42.041 37.150 1.00 0.00 H new ATOM 0 HB2 GLU A 5 44.427 42.717 35.591 1.00 0.00 H new ATOM 0 HB3 GLU A 5 44.419 41.918 37.150 1.00 0.00 H new ATOM 0 HG2 GLU A 5 43.027 40.062 36.134 1.00 0.00 H new ATOM 0 HG3 GLU A 5 43.193 40.842 34.573 1.00 0.00 H new ATOM 80 N ALA A 6 42.697 43.912 38.721 1.00 0.00 N ATOM 81 CA ALA A 6 43.002 44.971 39.675 1.00 0.00 C ATOM 82 C ALA A 6 44.474 45.402 39.590 1.00 0.00 C ATOM 83 O ALA A 6 45.385 44.613 39.869 1.00 0.00 O ATOM 84 CB ALA A 6 42.629 44.451 41.067 1.00 0.00 C ATOM 0 H ALA A 6 42.389 43.055 39.181 1.00 0.00 H new ATOM 0 HA ALA A 6 42.425 45.867 39.448 1.00 0.00 H new ATOM 0 HB1 ALA A 6 42.843 45.218 41.811 1.00 0.00 H new ATOM 0 HB2 ALA A 6 41.567 44.208 41.092 1.00 0.00 H new ATOM 0 HB3 ALA A 6 43.211 43.557 41.289 1.00 0.00 H new ATOM 90 N LEU A 7 44.689 46.673 39.233 1.00 0.00 N ATOM 91 CA LEU A 7 46.024 47.256 39.045 1.00 0.00 C ATOM 92 C LEU A 7 46.783 47.411 40.369 1.00 0.00 C ATOM 93 O LEU A 7 48.013 47.373 40.386 1.00 0.00 O ATOM 94 CB LEU A 7 45.897 48.618 38.339 1.00 0.00 C ATOM 95 CG LEU A 7 45.167 48.591 36.983 1.00 0.00 C ATOM 96 CD1 LEU A 7 45.175 50.000 36.375 1.00 0.00 C ATOM 97 CD2 LEU A 7 45.796 47.597 35.993 1.00 0.00 C ATOM 0 H LEU A 7 43.932 47.335 39.064 1.00 0.00 H new ATOM 0 HA LEU A 7 46.602 46.571 38.425 1.00 0.00 H new ATOM 0 HB2 LEU A 7 45.371 49.305 39.002 1.00 0.00 H new ATOM 0 HB3 LEU A 7 46.897 49.024 38.187 1.00 0.00 H new ATOM 0 HG LEU A 7 44.145 48.258 37.167 1.00 0.00 H new ATOM 0 HD11 LEU A 7 44.659 49.985 35.415 1.00 0.00 H new ATOM 0 HD12 LEU A 7 44.667 50.690 37.049 1.00 0.00 H new ATOM 0 HD13 LEU A 7 46.204 50.327 36.229 1.00 0.00 H new ATOM 0 HD21 LEU A 7 45.242 47.619 35.054 1.00 0.00 H new ATOM 0 HD22 LEU A 7 46.834 47.875 35.809 1.00 0.00 H new ATOM 0 HD23 LEU A 7 45.758 46.592 36.413 1.00 0.00 H new ATOM 109 N TYR A 8 46.047 47.565 41.471 1.00 0.00 N ATOM 110 CA TYR A 8 46.547 47.768 42.829 1.00 0.00 C ATOM 111 C TYR A 8 45.442 47.513 43.870 1.00 0.00 C ATOM 112 O TYR A 8 44.246 47.537 43.561 1.00 0.00 O ATOM 113 CB TYR A 8 47.181 49.167 42.969 1.00 0.00 C ATOM 114 CG TYR A 8 46.410 50.320 42.343 1.00 0.00 C ATOM 115 CD1 TYR A 8 45.283 50.865 42.988 1.00 0.00 C ATOM 116 CD2 TYR A 8 46.838 50.862 41.114 1.00 0.00 C ATOM 117 CE1 TYR A 8 44.586 51.944 42.410 1.00 0.00 C ATOM 118 CE2 TYR A 8 46.145 51.937 40.529 1.00 0.00 C ATOM 119 CZ TYR A 8 45.017 52.484 41.176 1.00 0.00 C ATOM 120 OH TYR A 8 44.362 53.534 40.609 1.00 0.00 O ATOM 0 H TYR A 8 45.028 47.550 41.436 1.00 0.00 H new ATOM 0 HA TYR A 8 47.333 47.038 43.026 1.00 0.00 H new ATOM 0 HB2 TYR A 8 47.312 49.379 44.030 1.00 0.00 H new ATOM 0 HB3 TYR A 8 48.176 49.138 42.524 1.00 0.00 H new ATOM 0 HD1 TYR A 8 44.952 50.454 43.930 1.00 0.00 H new ATOM 0 HD2 TYR A 8 47.704 50.449 40.618 1.00 0.00 H new ATOM 0 HE1 TYR A 8 43.723 52.359 42.909 1.00 0.00 H new ATOM 0 HE2 TYR A 8 46.476 52.344 39.585 1.00 0.00 H new ATOM 0 HH TYR A 8 44.797 53.774 39.764 1.00 0.00 H new ATOM 130 N ASP A 9 45.860 47.224 45.102 1.00 0.00 N ATOM 131 CA ASP A 9 44.992 46.865 46.223 1.00 0.00 C ATOM 132 C ASP A 9 44.076 48.027 46.665 1.00 0.00 C ATOM 133 O ASP A 9 44.403 49.207 46.516 1.00 0.00 O ATOM 134 CB ASP A 9 45.847 46.352 47.396 1.00 0.00 C ATOM 135 CG ASP A 9 46.903 45.313 46.984 1.00 0.00 C ATOM 136 OD1 ASP A 9 48.003 45.721 46.546 1.00 0.00 O ATOM 137 OD2 ASP A 9 46.633 44.096 47.091 1.00 0.00 O ATOM 0 H ASP A 9 46.848 47.234 45.356 1.00 0.00 H new ATOM 0 HA ASP A 9 44.327 46.070 45.886 1.00 0.00 H new ATOM 0 HB2 ASP A 9 46.347 47.198 47.867 1.00 0.00 H new ATOM 0 HB3 ASP A 9 45.191 45.912 48.147 1.00 0.00 H new ATOM 142 N TYR A 10 42.913 47.673 47.213 1.00 0.00 N ATOM 143 CA TYR A 10 41.794 48.569 47.519 1.00 0.00 C ATOM 144 C TYR A 10 40.918 47.998 48.654 1.00 0.00 C ATOM 145 O TYR A 10 40.870 46.786 48.861 1.00 0.00 O ATOM 146 CB TYR A 10 40.986 48.773 46.223 1.00 0.00 C ATOM 147 CG TYR A 10 39.809 49.724 46.327 1.00 0.00 C ATOM 148 CD1 TYR A 10 40.014 51.055 46.739 1.00 0.00 C ATOM 149 CD2 TYR A 10 38.508 49.284 46.015 1.00 0.00 C ATOM 150 CE1 TYR A 10 38.924 51.937 46.857 1.00 0.00 C ATOM 151 CE2 TYR A 10 37.412 50.158 46.139 1.00 0.00 C ATOM 152 CZ TYR A 10 37.618 51.489 46.565 1.00 0.00 C ATOM 153 OH TYR A 10 36.570 52.343 46.708 1.00 0.00 O ATOM 0 H TYR A 10 42.715 46.706 47.469 1.00 0.00 H new ATOM 0 HA TYR A 10 42.166 49.530 47.875 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.660 49.141 45.450 1.00 0.00 H new ATOM 0 HB3 TYR A 10 40.618 47.803 45.889 1.00 0.00 H new ATOM 0 HD1 TYR A 10 41.012 51.400 46.965 1.00 0.00 H new ATOM 0 HD2 TYR A 10 38.351 48.270 45.679 1.00 0.00 H new ATOM 0 HE1 TYR A 10 39.087 52.957 47.171 1.00 0.00 H new ATOM 0 HE2 TYR A 10 36.415 49.812 45.909 1.00 0.00 H new ATOM 0 HH TYR A 10 35.880 51.924 47.263 1.00 0.00 H new ATOM 163 N GLU A 11 40.180 48.843 49.378 1.00 0.00 N ATOM 164 CA GLU A 11 39.461 48.460 50.597 1.00 0.00 C ATOM 165 C GLU A 11 38.269 49.401 50.806 1.00 0.00 C ATOM 166 O GLU A 11 38.435 50.622 50.874 1.00 0.00 O ATOM 167 CB GLU A 11 40.427 48.492 51.796 1.00 0.00 C ATOM 168 CG GLU A 11 39.826 47.925 53.087 1.00 0.00 C ATOM 169 CD GLU A 11 39.607 46.407 53.008 1.00 0.00 C ATOM 170 OE1 GLU A 11 38.545 45.981 52.489 1.00 0.00 O ATOM 171 OE2 GLU A 11 40.491 45.651 53.476 1.00 0.00 O ATOM 0 H GLU A 11 40.063 49.826 49.131 1.00 0.00 H new ATOM 0 HA GLU A 11 39.076 47.445 50.502 1.00 0.00 H new ATOM 0 HB2 GLU A 11 41.324 47.926 51.544 1.00 0.00 H new ATOM 0 HB3 GLU A 11 40.739 49.521 51.972 1.00 0.00 H new ATOM 0 HG2 GLU A 11 40.487 48.152 53.923 1.00 0.00 H new ATOM 0 HG3 GLU A 11 38.875 48.417 53.290 1.00 0.00 H new ATOM 178 N ALA A 12 37.069 48.826 50.880 1.00 0.00 N ATOM 179 CA ALA A 12 35.798 49.501 50.658 1.00 0.00 C ATOM 180 C ALA A 12 35.505 50.681 51.608 1.00 0.00 C ATOM 181 O ALA A 12 35.413 50.536 52.830 1.00 0.00 O ATOM 182 CB ALA A 12 34.686 48.444 50.683 1.00 0.00 C ATOM 0 H ALA A 12 36.955 47.838 51.105 1.00 0.00 H new ATOM 0 HA ALA A 12 35.850 49.983 49.682 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.722 48.926 50.519 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.864 47.710 49.897 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.681 47.944 51.651 1.00 0.00 H new ATOM 188 N ARG A 13 35.187 51.815 50.982 1.00 0.00 N ATOM 189 CA ARG A 13 35.031 53.148 51.562 1.00 0.00 C ATOM 190 C ARG A 13 33.659 53.376 52.231 1.00 0.00 C ATOM 191 O ARG A 13 33.606 54.063 53.253 1.00 0.00 O ATOM 192 CB ARG A 13 35.242 54.186 50.439 1.00 0.00 C ATOM 193 CG ARG A 13 36.588 54.136 49.686 1.00 0.00 C ATOM 194 CD ARG A 13 37.805 54.573 50.512 1.00 0.00 C ATOM 195 NE ARG A 13 38.324 53.476 51.342 1.00 0.00 N ATOM 196 CZ ARG A 13 38.883 53.540 52.542 1.00 0.00 C ATOM 197 NH1 ARG A 13 39.017 54.669 53.207 1.00 0.00 N ATOM 198 NH2 ARG A 13 39.319 52.423 53.082 1.00 0.00 N ATOM 0 H ARG A 13 35.019 51.825 49.976 1.00 0.00 H new ATOM 0 HA ARG A 13 35.772 53.253 52.355 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.441 54.065 49.710 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.132 55.181 50.871 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.753 53.118 49.333 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.518 54.772 48.804 1.00 0.00 H new ATOM 0 HD2 ARG A 13 38.590 54.926 49.843 1.00 0.00 H new ATOM 0 HD3 ARG A 13 37.529 55.412 51.150 1.00 0.00 H new ATOM 0 HE ARG A 13 38.243 52.542 50.941 1.00 0.00 H new ATOM 0 HH11 ARG A 13 38.684 55.543 52.800 1.00 0.00 H new ATOM 0 HH12 ARG A 13 39.454 54.669 54.129 1.00 0.00 H new ATOM 0 HH21 ARG A 13 39.222 51.541 52.578 1.00 0.00 H new ATOM 0 HH22 ARG A 13 39.754 52.438 54.004 1.00 0.00 H new ATOM 212 N THR A 14 32.563 52.822 51.682 1.00 0.00 N ATOM 213 CA THR A 14 31.186 52.895 52.233 1.00 0.00 C ATOM 214 C THR A 14 30.686 51.559 52.781 1.00 0.00 C ATOM 215 O THR A 14 29.892 51.582 53.716 1.00 0.00 O ATOM 216 CB THR A 14 30.149 53.434 51.229 1.00 0.00 C ATOM 217 OG1 THR A 14 29.799 52.469 50.267 1.00 0.00 O ATOM 218 CG2 THR A 14 30.585 54.719 50.523 1.00 0.00 C ATOM 0 H THR A 14 32.607 52.291 50.812 1.00 0.00 H new ATOM 0 HA THR A 14 31.276 53.605 53.055 1.00 0.00 H new ATOM 0 HB THR A 14 29.276 53.675 51.836 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.602 51.987 49.980 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.804 55.037 49.832 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.756 55.501 51.263 1.00 0.00 H new ATOM 0 HG23 THR A 14 31.506 54.536 49.970 1.00 0.00 H new ATOM 226 N GLU A 15 31.124 50.437 52.192 1.00 0.00 N ATOM 227 CA GLU A 15 30.773 49.024 52.448 1.00 0.00 C ATOM 228 C GLU A 15 29.659 48.497 51.512 1.00 0.00 C ATOM 229 O GLU A 15 29.357 47.302 51.532 1.00 0.00 O ATOM 230 CB GLU A 15 30.512 48.670 53.929 1.00 0.00 C ATOM 231 CG GLU A 15 31.779 48.842 54.778 1.00 0.00 C ATOM 232 CD GLU A 15 31.549 48.395 56.228 1.00 0.00 C ATOM 233 OE1 GLU A 15 31.028 49.197 57.039 1.00 0.00 O ATOM 234 OE2 GLU A 15 31.902 47.242 56.571 1.00 0.00 O ATOM 0 H GLU A 15 31.810 50.500 51.440 1.00 0.00 H new ATOM 0 HA GLU A 15 31.685 48.483 52.195 1.00 0.00 H new ATOM 0 HB2 GLU A 15 29.719 49.306 54.322 1.00 0.00 H new ATOM 0 HB3 GLU A 15 30.160 47.641 54.002 1.00 0.00 H new ATOM 0 HG2 GLU A 15 32.592 48.262 54.342 1.00 0.00 H new ATOM 0 HG3 GLU A 15 32.089 49.887 54.763 1.00 0.00 H new ATOM 241 N ASP A 16 29.084 49.346 50.650 1.00 0.00 N ATOM 242 CA ASP A 16 28.302 48.928 49.469 1.00 0.00 C ATOM 243 C ASP A 16 29.182 48.768 48.204 1.00 0.00 C ATOM 244 O ASP A 16 28.784 48.139 47.223 1.00 0.00 O ATOM 245 CB ASP A 16 27.175 49.945 49.232 1.00 0.00 C ATOM 246 CG ASP A 16 26.067 49.399 48.315 1.00 0.00 C ATOM 247 OD1 ASP A 16 25.432 48.381 48.681 1.00 0.00 O ATOM 248 OD2 ASP A 16 25.789 50.029 47.269 1.00 0.00 O ATOM 0 H ASP A 16 29.147 50.359 50.751 1.00 0.00 H new ATOM 0 HA ASP A 16 27.877 47.945 49.669 1.00 0.00 H new ATOM 0 HB2 ASP A 16 26.741 50.230 50.190 1.00 0.00 H new ATOM 0 HB3 ASP A 16 27.594 50.849 48.790 1.00 0.00 H new ATOM 253 N ASP A 17 30.400 49.315 48.247 1.00 0.00 N ATOM 254 CA ASP A 17 31.500 49.075 47.318 1.00 0.00 C ATOM 255 C ASP A 17 32.288 47.787 47.654 1.00 0.00 C ATOM 256 O ASP A 17 32.094 47.161 48.700 1.00 0.00 O ATOM 257 CB ASP A 17 32.373 50.343 47.203 1.00 0.00 C ATOM 258 CG ASP A 17 32.955 50.914 48.502 1.00 0.00 C ATOM 259 OD1 ASP A 17 32.224 51.061 49.516 1.00 0.00 O ATOM 260 OD2 ASP A 17 34.148 51.286 48.462 1.00 0.00 O ATOM 0 H ASP A 17 30.657 49.978 48.978 1.00 0.00 H new ATOM 0 HA ASP A 17 31.091 48.880 46.327 1.00 0.00 H new ATOM 0 HB2 ASP A 17 33.202 50.123 46.530 1.00 0.00 H new ATOM 0 HB3 ASP A 17 31.776 51.122 46.729 1.00 0.00 H new ATOM 265 N LEU A 18 33.155 47.367 46.728 1.00 0.00 N ATOM 266 CA LEU A 18 33.866 46.088 46.736 1.00 0.00 C ATOM 267 C LEU A 18 35.370 46.314 46.908 1.00 0.00 C ATOM 268 O LEU A 18 35.969 47.166 46.255 1.00 0.00 O ATOM 269 CB LEU A 18 33.548 45.342 45.426 1.00 0.00 C ATOM 270 CG LEU A 18 34.209 43.957 45.256 1.00 0.00 C ATOM 271 CD1 LEU A 18 33.959 43.014 46.445 1.00 0.00 C ATOM 272 CD2 LEU A 18 33.663 43.314 43.972 1.00 0.00 C ATOM 0 H LEU A 18 33.390 47.937 45.915 1.00 0.00 H new ATOM 0 HA LEU A 18 33.537 45.479 47.578 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.467 45.218 45.356 1.00 0.00 H new ATOM 0 HB3 LEU A 18 33.851 45.972 44.590 1.00 0.00 H new ATOM 0 HG LEU A 18 35.287 44.110 45.202 1.00 0.00 H new ATOM 0 HD11 LEU A 18 34.451 42.059 46.261 1.00 0.00 H new ATOM 0 HD12 LEU A 18 34.362 43.460 47.354 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.887 42.854 46.563 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.119 42.333 43.834 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.582 43.204 44.052 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.901 43.948 43.118 1.00 0.00 H new ATOM 284 N SER A 19 35.984 45.524 47.777 1.00 0.00 N ATOM 285 CA SER A 19 37.428 45.557 48.030 1.00 0.00 C ATOM 286 C SER A 19 38.203 44.630 47.093 1.00 0.00 C ATOM 287 O SER A 19 37.688 43.588 46.679 1.00 0.00 O ATOM 288 CB SER A 19 37.694 45.134 49.465 1.00 0.00 C ATOM 289 OG SER A 19 36.875 45.908 50.307 1.00 0.00 O ATOM 0 H SER A 19 35.491 44.829 48.338 1.00 0.00 H new ATOM 0 HA SER A 19 37.768 46.577 47.851 1.00 0.00 H new ATOM 0 HB2 SER A 19 37.479 44.073 49.595 1.00 0.00 H new ATOM 0 HB3 SER A 19 38.744 45.280 49.716 1.00 0.00 H new ATOM 0 HG SER A 19 37.263 45.935 51.206 1.00 0.00 H new ATOM 295 N PHE A 20 39.460 44.975 46.794 1.00 0.00 N ATOM 296 CA PHE A 20 40.281 44.266 45.816 1.00 0.00 C ATOM 297 C PHE A 20 41.755 44.157 46.231 1.00 0.00 C ATOM 298 O PHE A 20 42.217 44.738 47.210 1.00 0.00 O ATOM 299 CB PHE A 20 40.105 44.937 44.440 1.00 0.00 C ATOM 300 CG PHE A 20 38.910 44.425 43.663 1.00 0.00 C ATOM 301 CD1 PHE A 20 38.913 43.097 43.196 1.00 0.00 C ATOM 302 CD2 PHE A 20 37.801 45.254 43.409 1.00 0.00 C ATOM 303 CE1 PHE A 20 37.808 42.593 42.493 1.00 0.00 C ATOM 304 CE2 PHE A 20 36.699 44.752 42.694 1.00 0.00 C ATOM 305 CZ PHE A 20 36.698 43.419 42.248 1.00 0.00 C ATOM 0 H PHE A 20 39.938 45.763 47.231 1.00 0.00 H new ATOM 0 HA PHE A 20 39.936 43.234 45.759 1.00 0.00 H new ATOM 0 HB2 PHE A 20 40.002 46.013 44.581 1.00 0.00 H new ATOM 0 HB3 PHE A 20 41.007 44.777 43.849 1.00 0.00 H new ATOM 0 HD1 PHE A 20 39.769 42.464 43.379 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.796 46.274 43.763 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.811 41.572 42.141 1.00 0.00 H new ATOM 0 HE2 PHE A 20 35.853 45.391 42.487 1.00 0.00 H new ATOM 0 HZ PHE A 20 35.843 43.029 41.716 1.00 0.00 H new ATOM 315 N HIS A 21 42.504 43.380 45.459 1.00 0.00 N ATOM 316 CA HIS A 21 43.867 42.951 45.740 1.00 0.00 C ATOM 317 C HIS A 21 44.604 42.764 44.403 1.00 0.00 C ATOM 318 O HIS A 21 43.981 42.470 43.379 1.00 0.00 O ATOM 319 CB HIS A 21 43.786 41.680 46.604 1.00 0.00 C ATOM 320 CG HIS A 21 45.052 40.871 46.729 1.00 0.00 C ATOM 321 ND1 HIS A 21 46.248 41.298 47.247 1.00 0.00 N ATOM 322 CD2 HIS A 21 45.203 39.543 46.433 1.00 0.00 C ATOM 323 CE1 HIS A 21 47.097 40.261 47.266 1.00 0.00 C ATOM 324 NE2 HIS A 21 46.505 39.157 46.779 1.00 0.00 N ATOM 0 H HIS A 21 42.158 43.013 44.573 1.00 0.00 H new ATOM 0 HA HIS A 21 44.441 43.686 46.304 1.00 0.00 H new ATOM 0 HB2 HIS A 21 43.464 41.968 47.605 1.00 0.00 H new ATOM 0 HB3 HIS A 21 43.009 41.036 46.192 1.00 0.00 H new ATOM 0 HD1 HIS A 21 46.456 42.245 47.564 1.00 0.00 H new ATOM 0 HD2 HIS A 21 44.447 38.901 46.005 1.00 0.00 H new ATOM 0 HE1 HIS A 21 48.115 40.306 47.623 1.00 0.00 H new ATOM 332 N LYS A 22 45.906 43.052 44.378 1.00 0.00 N ATOM 333 CA LYS A 22 46.724 43.061 43.163 1.00 0.00 C ATOM 334 C LYS A 22 46.544 41.786 42.303 1.00 0.00 C ATOM 335 O LYS A 22 46.796 40.662 42.741 1.00 0.00 O ATOM 336 CB LYS A 22 48.192 43.379 43.521 1.00 0.00 C ATOM 337 CG LYS A 22 48.825 42.451 44.579 1.00 0.00 C ATOM 338 CD LYS A 22 50.344 42.642 44.725 1.00 0.00 C ATOM 339 CE LYS A 22 50.816 44.034 45.177 1.00 0.00 C ATOM 340 NZ LYS A 22 50.463 44.346 46.584 1.00 0.00 N ATOM 0 H LYS A 22 46.433 43.290 45.218 1.00 0.00 H new ATOM 0 HA LYS A 22 46.370 43.861 42.514 1.00 0.00 H new ATOM 0 HB2 LYS A 22 48.790 43.328 42.611 1.00 0.00 H new ATOM 0 HB3 LYS A 22 48.247 44.406 43.882 1.00 0.00 H new ATOM 0 HG2 LYS A 22 48.349 42.632 45.543 1.00 0.00 H new ATOM 0 HG3 LYS A 22 48.620 41.414 44.312 1.00 0.00 H new ATOM 0 HD2 LYS A 22 50.714 41.907 45.440 1.00 0.00 H new ATOM 0 HD3 LYS A 22 50.811 42.417 43.766 1.00 0.00 H new ATOM 0 HE2 LYS A 22 51.898 44.099 45.058 1.00 0.00 H new ATOM 0 HE3 LYS A 22 50.377 44.788 44.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 51.219 44.917 47.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 49.570 44.879 46.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 50.352 43.461 47.118 1.00 0.00 H new ATOM 354 N GLY A 23 46.084 41.979 41.062 1.00 0.00 N ATOM 355 CA GLY A 23 45.870 40.932 40.058 1.00 0.00 C ATOM 356 C GLY A 23 44.546 40.163 40.167 1.00 0.00 C ATOM 357 O GLY A 23 44.350 39.234 39.388 1.00 0.00 O ATOM 0 H GLY A 23 45.841 42.907 40.716 1.00 0.00 H new ATOM 0 HA2 GLY A 23 45.924 41.387 39.069 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.690 40.217 40.125 1.00 0.00 H new ATOM 361 N GLU A 24 43.634 40.516 41.080 1.00 0.00 N ATOM 362 CA GLU A 24 42.292 39.924 41.159 1.00 0.00 C ATOM 363 C GLU A 24 41.442 40.287 39.931 1.00 0.00 C ATOM 364 O GLU A 24 41.412 41.441 39.501 1.00 0.00 O ATOM 365 CB GLU A 24 41.562 40.396 42.426 1.00 0.00 C ATOM 366 CG GLU A 24 42.091 39.777 43.724 1.00 0.00 C ATOM 367 CD GLU A 24 41.765 38.279 43.824 1.00 0.00 C ATOM 368 OE1 GLU A 24 40.569 37.935 43.979 1.00 0.00 O ATOM 369 OE2 GLU A 24 42.705 37.455 43.755 1.00 0.00 O ATOM 0 H GLU A 24 43.807 41.226 41.791 1.00 0.00 H new ATOM 0 HA GLU A 24 42.423 38.842 41.191 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.642 41.481 42.495 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.502 40.160 42.330 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.171 39.917 43.778 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.658 40.300 44.577 1.00 0.00 H new ATOM 376 N LYS A 25 40.728 39.301 39.380 1.00 0.00 N ATOM 377 CA LYS A 25 39.881 39.461 38.189 1.00 0.00 C ATOM 378 C LYS A 25 38.455 39.919 38.540 1.00 0.00 C ATOM 379 O LYS A 25 37.790 39.324 39.392 1.00 0.00 O ATOM 380 CB LYS A 25 39.788 38.133 37.411 1.00 0.00 C ATOM 381 CG LYS A 25 41.019 37.692 36.608 1.00 0.00 C ATOM 382 CD LYS A 25 42.284 37.437 37.436 1.00 0.00 C ATOM 383 CE LYS A 25 43.215 36.494 36.665 1.00 0.00 C ATOM 384 NZ LYS A 25 44.599 36.519 37.190 1.00 0.00 N ATOM 0 H LYS A 25 40.721 38.352 39.754 1.00 0.00 H new ATOM 0 HA LYS A 25 40.352 40.231 37.578 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.551 37.343 38.123 1.00 0.00 H new ATOM 0 HB3 LYS A 25 38.946 38.205 36.723 1.00 0.00 H new ATOM 0 HG2 LYS A 25 40.770 36.780 36.064 1.00 0.00 H new ATOM 0 HG3 LYS A 25 41.240 38.457 35.863 1.00 0.00 H new ATOM 0 HD2 LYS A 25 42.792 38.379 37.643 1.00 0.00 H new ATOM 0 HD3 LYS A 25 42.020 36.999 38.398 1.00 0.00 H new ATOM 0 HE2 LYS A 25 42.826 35.477 36.720 1.00 0.00 H new ATOM 0 HE3 LYS A 25 43.223 36.775 35.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 45.120 35.692 36.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 45.074 37.389 36.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 44.576 36.494 38.229 1.00 0.00 H new ATOM 398 N PHE A 26 37.937 40.895 37.795 1.00 0.00 N ATOM 399 CA PHE A 26 36.562 41.387 37.871 1.00 0.00 C ATOM 400 C PHE A 26 35.978 41.717 36.487 1.00 0.00 C ATOM 401 O PHE A 26 36.676 41.713 35.478 1.00 0.00 O ATOM 402 CB PHE A 26 36.514 42.575 38.846 1.00 0.00 C ATOM 403 CG PHE A 26 37.263 43.831 38.431 1.00 0.00 C ATOM 404 CD1 PHE A 26 36.626 44.814 37.648 1.00 0.00 C ATOM 405 CD2 PHE A 26 38.579 44.052 38.885 1.00 0.00 C ATOM 406 CE1 PHE A 26 37.287 46.018 37.347 1.00 0.00 C ATOM 407 CE2 PHE A 26 39.240 45.254 38.580 1.00 0.00 C ATOM 408 CZ PHE A 26 38.590 46.242 37.822 1.00 0.00 C ATOM 0 H PHE A 26 38.489 41.386 37.091 1.00 0.00 H new ATOM 0 HA PHE A 26 35.919 40.596 38.257 1.00 0.00 H new ATOM 0 HB2 PHE A 26 35.469 42.840 39.008 1.00 0.00 H new ATOM 0 HB3 PHE A 26 36.911 42.244 39.805 1.00 0.00 H new ATOM 0 HD1 PHE A 26 35.626 44.642 37.278 1.00 0.00 H new ATOM 0 HD2 PHE A 26 39.081 43.295 39.469 1.00 0.00 H new ATOM 0 HE1 PHE A 26 36.793 46.771 36.751 1.00 0.00 H new ATOM 0 HE2 PHE A 26 40.249 45.418 38.929 1.00 0.00 H new ATOM 0 HZ PHE A 26 39.092 47.173 37.604 1.00 0.00 H new ATOM 418 N GLN A 27 34.675 41.981 36.443 1.00 0.00 N ATOM 419 CA GLN A 27 33.865 42.253 35.260 1.00 0.00 C ATOM 420 C GLN A 27 32.874 43.376 35.592 1.00 0.00 C ATOM 421 O GLN A 27 32.384 43.472 36.716 1.00 0.00 O ATOM 422 CB GLN A 27 33.175 40.935 34.855 1.00 0.00 C ATOM 423 CG GLN A 27 32.206 41.008 33.663 1.00 0.00 C ATOM 424 CD GLN A 27 31.628 39.626 33.320 1.00 0.00 C ATOM 425 OE1 GLN A 27 31.143 38.891 34.173 1.00 0.00 O ATOM 426 NE2 GLN A 27 31.654 39.206 32.073 1.00 0.00 N ATOM 0 H GLN A 27 34.117 42.013 37.296 1.00 0.00 H new ATOM 0 HA GLN A 27 34.461 42.595 34.414 1.00 0.00 H new ATOM 0 HB2 GLN A 27 33.948 40.202 34.623 1.00 0.00 H new ATOM 0 HB3 GLN A 27 32.627 40.557 35.718 1.00 0.00 H new ATOM 0 HG2 GLN A 27 31.393 41.696 33.896 1.00 0.00 H new ATOM 0 HG3 GLN A 27 32.726 41.412 32.794 1.00 0.00 H new ATOM 0 HE21 GLN A 27 32.052 39.798 31.344 1.00 0.00 H new ATOM 0 HE22 GLN A 27 31.276 38.289 31.836 1.00 0.00 H new ATOM 435 N ILE A 28 32.581 44.222 34.604 1.00 0.00 N ATOM 436 CA ILE A 28 31.635 45.339 34.715 1.00 0.00 C ATOM 437 C ILE A 28 30.260 44.892 34.209 1.00 0.00 C ATOM 438 O ILE A 28 30.127 44.448 33.067 1.00 0.00 O ATOM 439 CB ILE A 28 32.151 46.565 33.924 1.00 0.00 C ATOM 440 CG1 ILE A 28 33.572 47.013 34.341 1.00 0.00 C ATOM 441 CG2 ILE A 28 31.164 47.747 34.018 1.00 0.00 C ATOM 442 CD1 ILE A 28 33.773 47.278 35.841 1.00 0.00 C ATOM 0 H ILE A 28 33.005 44.150 33.679 1.00 0.00 H new ATOM 0 HA ILE A 28 31.544 45.636 35.760 1.00 0.00 H new ATOM 0 HB ILE A 28 32.219 46.240 32.886 1.00 0.00 H new ATOM 0 HG12 ILE A 28 34.281 46.247 34.028 1.00 0.00 H new ATOM 0 HG13 ILE A 28 33.822 47.922 33.793 1.00 0.00 H new ATOM 0 HG21 ILE A 28 31.555 48.593 33.452 1.00 0.00 H new ATOM 0 HG22 ILE A 28 30.200 47.449 33.606 1.00 0.00 H new ATOM 0 HG23 ILE A 28 31.040 48.035 35.062 1.00 0.00 H new ATOM 0 HD11 ILE A 28 34.803 47.586 36.021 1.00 0.00 H new ATOM 0 HD12 ILE A 28 33.096 48.069 36.165 1.00 0.00 H new ATOM 0 HD13 ILE A 28 33.563 46.368 36.403 1.00 0.00 H new ATOM 454 N LEU A 29 29.234 45.046 35.044 1.00 0.00 N ATOM 455 CA LEU A 29 27.826 44.798 34.729 1.00 0.00 C ATOM 456 C LEU A 29 27.111 46.074 34.240 1.00 0.00 C ATOM 457 O LEU A 29 26.285 45.991 33.332 1.00 0.00 O ATOM 458 CB LEU A 29 27.133 44.230 35.985 1.00 0.00 C ATOM 459 CG LEU A 29 27.708 42.909 36.547 1.00 0.00 C ATOM 460 CD1 LEU A 29 26.882 42.486 37.771 1.00 0.00 C ATOM 461 CD2 LEU A 29 27.709 41.782 35.502 1.00 0.00 C ATOM 0 H LEU A 29 29.367 45.362 36.005 1.00 0.00 H new ATOM 0 HA LEU A 29 27.770 44.078 33.913 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.178 44.984 36.771 1.00 0.00 H new ATOM 0 HB3 LEU A 29 26.080 44.073 35.753 1.00 0.00 H new ATOM 0 HG LEU A 29 28.746 43.085 36.829 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.280 41.555 38.174 1.00 0.00 H new ATOM 0 HD12 LEU A 29 26.936 43.264 38.533 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.843 42.339 37.476 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.122 40.876 35.945 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.688 41.592 35.171 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.318 42.078 34.648 1.00 0.00 H new ATOM 473 N ASN A 30 27.445 47.247 34.799 1.00 0.00 N ATOM 474 CA ASN A 30 26.926 48.562 34.384 1.00 0.00 C ATOM 475 C ASN A 30 27.862 49.729 34.759 1.00 0.00 C ATOM 476 O ASN A 30 28.375 49.829 35.869 1.00 0.00 O ATOM 477 CB ASN A 30 25.510 48.809 34.941 1.00 0.00 C ATOM 478 CG ASN A 30 24.946 50.186 34.555 1.00 0.00 C ATOM 479 OD1 ASN A 30 25.131 50.686 33.450 1.00 0.00 O ATOM 480 ND2 ASN A 30 24.283 50.870 35.465 1.00 0.00 N ATOM 0 H ASN A 30 28.103 47.310 35.576 1.00 0.00 H new ATOM 0 HA ASN A 30 26.876 48.532 33.296 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.840 48.032 34.573 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.532 48.723 36.027 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.931 51.802 35.246 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.121 50.467 36.388 1.00 0.00 H new ATOM 487 N SER A 31 28.033 50.646 33.817 1.00 0.00 N ATOM 488 CA SER A 31 28.929 51.807 33.822 1.00 0.00 C ATOM 489 C SER A 31 28.195 53.168 33.750 1.00 0.00 C ATOM 490 O SER A 31 28.836 54.218 33.785 1.00 0.00 O ATOM 491 CB SER A 31 29.795 51.668 32.562 1.00 0.00 C ATOM 492 OG SER A 31 28.959 51.359 31.450 1.00 0.00 O ATOM 0 H SER A 31 27.502 50.597 32.948 1.00 0.00 H new ATOM 0 HA SER A 31 29.489 51.810 34.757 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.339 52.594 32.377 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.539 50.884 32.702 1.00 0.00 H new ATOM 0 HG SER A 31 29.508 51.271 30.643 1.00 0.00 H new ATOM 498 N SER A 32 26.862 53.189 33.622 1.00 0.00 N ATOM 499 CA SER A 32 26.096 54.390 33.219 1.00 0.00 C ATOM 500 C SER A 32 26.137 55.559 34.214 1.00 0.00 C ATOM 501 O SER A 32 25.857 56.694 33.824 1.00 0.00 O ATOM 502 CB SER A 32 24.620 54.047 32.962 1.00 0.00 C ATOM 503 OG SER A 32 24.443 53.389 31.724 1.00 0.00 O ATOM 0 H SER A 32 26.276 52.372 33.795 1.00 0.00 H new ATOM 0 HA SER A 32 26.599 54.720 32.310 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.248 53.413 33.767 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.026 54.961 32.976 1.00 0.00 H new ATOM 0 HG SER A 32 23.493 53.185 31.595 1.00 0.00 H new ATOM 509 N GLU A 33 26.481 55.318 35.485 1.00 0.00 N ATOM 510 CA GLU A 33 26.590 56.372 36.503 1.00 0.00 C ATOM 511 C GLU A 33 27.898 57.191 36.379 1.00 0.00 C ATOM 512 O GLU A 33 28.059 58.202 37.067 1.00 0.00 O ATOM 513 CB GLU A 33 26.406 55.770 37.910 1.00 0.00 C ATOM 514 CG GLU A 33 25.022 55.121 38.084 1.00 0.00 C ATOM 515 CD GLU A 33 24.741 54.704 39.538 1.00 0.00 C ATOM 516 OE1 GLU A 33 24.344 55.579 40.344 1.00 0.00 O ATOM 517 OE2 GLU A 33 24.870 53.502 39.868 1.00 0.00 O ATOM 0 H GLU A 33 26.692 54.385 35.838 1.00 0.00 H new ATOM 0 HA GLU A 33 25.786 57.087 36.330 1.00 0.00 H new ATOM 0 HB2 GLU A 33 27.181 55.025 38.089 1.00 0.00 H new ATOM 0 HB3 GLU A 33 26.536 56.552 38.658 1.00 0.00 H new ATOM 0 HG2 GLU A 33 24.253 55.821 37.756 1.00 0.00 H new ATOM 0 HG3 GLU A 33 24.952 54.245 37.439 1.00 0.00 H new ATOM 524 N GLY A 34 28.821 56.787 35.492 1.00 0.00 N ATOM 525 CA GLY A 34 30.024 57.521 35.074 1.00 0.00 C ATOM 526 C GLY A 34 31.182 57.435 36.069 1.00 0.00 C ATOM 527 O GLY A 34 32.294 57.043 35.715 1.00 0.00 O ATOM 0 H GLY A 34 28.742 55.886 35.020 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.357 57.134 34.111 1.00 0.00 H new ATOM 0 HA3 GLY A 34 29.764 58.569 34.924 1.00 0.00 H new ATOM 531 N ASP A 35 30.910 57.823 37.310 1.00 0.00 N ATOM 532 CA ASP A 35 31.879 58.004 38.391 1.00 0.00 C ATOM 533 C ASP A 35 32.108 56.715 39.206 1.00 0.00 C ATOM 534 O ASP A 35 33.248 56.418 39.563 1.00 0.00 O ATOM 535 CB ASP A 35 31.375 59.161 39.270 1.00 0.00 C ATOM 536 CG ASP A 35 32.462 59.755 40.180 1.00 0.00 C ATOM 537 OD1 ASP A 35 33.476 60.263 39.646 1.00 0.00 O ATOM 538 OD2 ASP A 35 32.263 59.780 41.417 1.00 0.00 O ATOM 0 H ASP A 35 29.957 58.032 37.608 1.00 0.00 H new ATOM 0 HA ASP A 35 32.856 58.245 37.972 1.00 0.00 H new ATOM 0 HB2 ASP A 35 30.978 59.948 38.629 1.00 0.00 H new ATOM 0 HB3 ASP A 35 30.549 58.806 39.887 1.00 0.00 H new ATOM 543 N TRP A 36 31.047 55.924 39.436 1.00 0.00 N ATOM 544 CA TRP A 36 31.095 54.605 40.087 1.00 0.00 C ATOM 545 C TRP A 36 30.334 53.554 39.267 1.00 0.00 C ATOM 546 O TRP A 36 29.224 53.801 38.795 1.00 0.00 O ATOM 547 CB TRP A 36 30.502 54.659 41.503 1.00 0.00 C ATOM 548 CG TRP A 36 31.240 55.490 42.504 1.00 0.00 C ATOM 549 CD1 TRP A 36 31.241 56.838 42.533 1.00 0.00 C ATOM 550 CD2 TRP A 36 32.059 55.070 43.641 1.00 0.00 C ATOM 551 NE1 TRP A 36 32.021 57.285 43.574 1.00 0.00 N ATOM 552 CE2 TRP A 36 32.534 56.240 44.308 1.00 0.00 C ATOM 553 CE3 TRP A 36 32.440 53.824 44.190 1.00 0.00 C ATOM 554 CZ2 TRP A 36 33.336 56.184 45.456 1.00 0.00 C ATOM 555 CZ3 TRP A 36 33.236 53.756 45.351 1.00 0.00 C ATOM 556 CH2 TRP A 36 33.683 54.930 45.983 1.00 0.00 C ATOM 0 H TRP A 36 30.102 56.194 39.165 1.00 0.00 H new ATOM 0 HA TRP A 36 32.146 54.322 40.150 1.00 0.00 H new ATOM 0 HB2 TRP A 36 29.482 55.037 41.432 1.00 0.00 H new ATOM 0 HB3 TRP A 36 30.439 53.640 41.886 1.00 0.00 H new ATOM 0 HD1 TRP A 36 30.708 57.473 41.841 1.00 0.00 H new ATOM 0 HE1 TRP A 36 32.197 58.269 43.777 1.00 0.00 H new ATOM 0 HE3 TRP A 36 32.116 52.911 43.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 33.682 57.092 45.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 33.505 52.793 45.759 1.00 0.00 H new ATOM 0 HH2 TRP A 36 34.292 54.867 46.872 1.00 0.00 H new ATOM 567 N TRP A 37 30.933 52.377 39.098 1.00 0.00 N ATOM 568 CA TRP A 37 30.481 51.302 38.215 1.00 0.00 C ATOM 569 C TRP A 37 30.110 50.031 38.994 1.00 0.00 C ATOM 570 O TRP A 37 30.786 49.644 39.950 1.00 0.00 O ATOM 571 CB TRP A 37 31.595 51.001 37.201 1.00 0.00 C ATOM 572 CG TRP A 37 31.852 52.021 36.127 1.00 0.00 C ATOM 573 CD1 TRP A 37 31.319 53.262 36.032 1.00 0.00 C ATOM 574 CD2 TRP A 37 32.673 51.864 34.928 1.00 0.00 C ATOM 575 NE1 TRP A 37 31.750 53.871 34.876 1.00 0.00 N ATOM 576 CE2 TRP A 37 32.571 53.050 34.143 1.00 0.00 C ATOM 577 CE3 TRP A 37 33.474 50.825 34.410 1.00 0.00 C ATOM 578 CZ2 TRP A 37 33.212 53.198 32.907 1.00 0.00 C ATOM 579 CZ3 TRP A 37 34.116 50.956 33.163 1.00 0.00 C ATOM 580 CH2 TRP A 37 33.985 52.137 32.412 1.00 0.00 C ATOM 0 H TRP A 37 31.789 52.135 39.597 1.00 0.00 H new ATOM 0 HA TRP A 37 29.578 51.631 37.701 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.523 50.855 37.754 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.361 50.054 36.716 1.00 0.00 H new ATOM 0 HD1 TRP A 37 30.654 53.708 36.757 1.00 0.00 H new ATOM 0 HE1 TRP A 37 31.491 54.817 34.597 1.00 0.00 H new ATOM 0 HE3 TRP A 37 33.597 49.915 34.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.113 54.114 32.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 34.714 50.142 32.781 1.00 0.00 H new ATOM 0 HH2 TRP A 37 34.479 52.227 31.456 1.00 0.00 H new ATOM 591 N GLU A 38 29.046 49.370 38.539 1.00 0.00 N ATOM 592 CA GLU A 38 28.551 48.088 39.030 1.00 0.00 C ATOM 593 C GLU A 38 29.448 46.958 38.515 1.00 0.00 C ATOM 594 O GLU A 38 29.495 46.663 37.321 1.00 0.00 O ATOM 595 CB GLU A 38 27.100 47.852 38.585 1.00 0.00 C ATOM 596 CG GLU A 38 26.118 48.835 39.235 1.00 0.00 C ATOM 597 CD GLU A 38 24.668 48.548 38.814 1.00 0.00 C ATOM 598 OE1 GLU A 38 24.107 47.516 39.250 1.00 0.00 O ATOM 599 OE2 GLU A 38 24.088 49.357 38.051 1.00 0.00 O ATOM 0 H GLU A 38 28.476 49.736 37.776 1.00 0.00 H new ATOM 0 HA GLU A 38 28.574 48.103 40.120 1.00 0.00 H new ATOM 0 HB2 GLU A 38 27.037 47.944 37.501 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.808 46.832 38.836 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.202 48.770 40.320 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.384 49.854 38.955 1.00 0.00 H new ATOM 606 N VAL A 39 30.168 46.353 39.449 1.00 0.00 N ATOM 607 CA VAL A 39 31.225 45.361 39.257 1.00 0.00 C ATOM 608 C VAL A 39 30.842 44.041 39.930 1.00 0.00 C ATOM 609 O VAL A 39 30.162 44.037 40.954 1.00 0.00 O ATOM 610 CB VAL A 39 32.566 45.909 39.820 1.00 0.00 C ATOM 611 CG1 VAL A 39 32.471 46.387 41.283 1.00 0.00 C ATOM 612 CG2 VAL A 39 33.740 44.927 39.712 1.00 0.00 C ATOM 0 H VAL A 39 30.020 46.556 40.437 1.00 0.00 H new ATOM 0 HA VAL A 39 31.351 45.169 38.192 1.00 0.00 H new ATOM 0 HB VAL A 39 32.765 46.764 39.174 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.443 46.756 41.609 1.00 0.00 H new ATOM 0 HG12 VAL A 39 31.735 47.188 41.357 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.167 45.555 41.919 1.00 0.00 H new ATOM 0 HG21 VAL A 39 34.638 45.386 40.127 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.507 44.019 40.268 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.911 44.678 38.665 1.00 0.00 H new ATOM 622 N ARG A 40 31.383 42.938 39.414 1.00 0.00 N ATOM 623 CA ARG A 40 31.473 41.647 40.084 1.00 0.00 C ATOM 624 C ARG A 40 32.880 41.083 39.934 1.00 0.00 C ATOM 625 O ARG A 40 33.484 41.132 38.864 1.00 0.00 O ATOM 626 CB ARG A 40 30.398 40.666 39.586 1.00 0.00 C ATOM 627 CG ARG A 40 30.572 40.103 38.162 1.00 0.00 C ATOM 628 CD ARG A 40 29.428 39.119 37.879 1.00 0.00 C ATOM 629 NE ARG A 40 29.555 38.458 36.570 1.00 0.00 N ATOM 630 CZ ARG A 40 28.821 37.449 36.117 1.00 0.00 C ATOM 631 NH1 ARG A 40 27.849 36.908 36.823 1.00 0.00 N ATOM 632 NH2 ARG A 40 29.071 36.971 34.919 1.00 0.00 N ATOM 0 H ARG A 40 31.787 42.922 38.478 1.00 0.00 H new ATOM 0 HA ARG A 40 31.277 41.794 41.146 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.358 39.826 40.280 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.432 41.168 39.636 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.564 40.912 37.432 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.535 39.600 38.069 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.404 38.362 38.663 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.478 39.652 37.921 1.00 0.00 H new ATOM 0 HE ARG A 40 30.281 38.811 35.947 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.637 37.264 37.755 1.00 0.00 H new ATOM 0 HH12 ARG A 40 27.309 36.134 36.437 1.00 0.00 H new ATOM 0 HH21 ARG A 40 29.818 37.375 34.354 1.00 0.00 H new ATOM 0 HH22 ARG A 40 28.518 36.196 34.554 1.00 0.00 H new ATOM 646 N SER A 41 33.415 40.542 41.010 1.00 0.00 N ATOM 647 CA SER A 41 34.616 39.728 40.982 1.00 0.00 C ATOM 648 C SER A 41 34.340 38.355 40.344 1.00 0.00 C ATOM 649 O SER A 41 33.294 37.744 40.571 1.00 0.00 O ATOM 650 CB SER A 41 35.147 39.559 42.399 1.00 0.00 C ATOM 651 OG SER A 41 36.309 38.786 42.283 1.00 0.00 O ATOM 0 H SER A 41 33.022 40.657 41.944 1.00 0.00 H new ATOM 0 HA SER A 41 35.366 40.232 40.372 1.00 0.00 H new ATOM 0 HB2 SER A 41 35.365 40.526 42.853 1.00 0.00 H new ATOM 0 HB3 SER A 41 34.412 39.066 43.036 1.00 0.00 H new ATOM 0 HG SER A 41 36.343 38.134 43.014 1.00 0.00 H new ATOM 657 N LEU A 42 35.311 37.852 39.579 1.00 0.00 N ATOM 658 CA LEU A 42 35.284 36.541 38.928 1.00 0.00 C ATOM 659 C LEU A 42 35.984 35.457 39.763 1.00 0.00 C ATOM 660 O LEU A 42 35.571 34.297 39.726 1.00 0.00 O ATOM 661 CB LEU A 42 35.934 36.683 37.537 1.00 0.00 C ATOM 662 CG LEU A 42 35.231 37.671 36.578 1.00 0.00 C ATOM 663 CD1 LEU A 42 35.883 37.585 35.191 1.00 0.00 C ATOM 664 CD2 LEU A 42 33.722 37.405 36.463 1.00 0.00 C ATOM 0 H LEU A 42 36.171 38.367 39.389 1.00 0.00 H new ATOM 0 HA LEU A 42 34.249 36.215 38.829 1.00 0.00 H new ATOM 0 HB2 LEU A 42 36.968 37.003 37.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 35.961 35.701 37.065 1.00 0.00 H new ATOM 0 HG LEU A 42 35.349 38.673 36.991 1.00 0.00 H new ATOM 0 HD11 LEU A 42 35.389 38.281 34.513 1.00 0.00 H new ATOM 0 HD12 LEU A 42 36.939 37.842 35.269 1.00 0.00 H new ATOM 0 HD13 LEU A 42 35.784 36.570 34.805 1.00 0.00 H new ATOM 0 HD21 LEU A 42 33.277 38.126 35.778 1.00 0.00 H new ATOM 0 HD22 LEU A 42 33.558 36.396 36.085 1.00 0.00 H new ATOM 0 HD23 LEU A 42 33.259 37.504 37.445 1.00 0.00 H new ATOM 676 N THR A 43 37.005 35.838 40.540 1.00 0.00 N ATOM 677 CA THR A 43 37.769 34.966 41.449 1.00 0.00 C ATOM 678 C THR A 43 36.872 34.366 42.536 1.00 0.00 C ATOM 679 O THR A 43 36.918 33.155 42.755 1.00 0.00 O ATOM 680 CB THR A 43 38.915 35.749 42.086 1.00 0.00 C ATOM 681 OG1 THR A 43 38.335 36.855 42.709 1.00 0.00 O ATOM 682 CG2 THR A 43 39.943 36.247 41.067 1.00 0.00 C ATOM 0 H THR A 43 37.338 36.802 40.555 1.00 0.00 H new ATOM 0 HA THR A 43 38.177 34.144 40.861 1.00 0.00 H new ATOM 0 HB THR A 43 39.450 35.095 42.774 1.00 0.00 H new ATOM 0 HG1 THR A 43 39.017 37.336 43.223 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.731 36.795 41.583 1.00 0.00 H new ATOM 0 HG22 THR A 43 40.377 35.396 40.542 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.454 36.905 40.349 1.00 0.00 H new ATOM 690 N THR A 44 36.051 35.194 43.195 1.00 0.00 N ATOM 691 CA THR A 44 35.196 34.854 44.343 1.00 0.00 C ATOM 692 C THR A 44 33.703 34.857 44.014 1.00 0.00 C ATOM 693 O THR A 44 33.005 33.935 44.433 1.00 0.00 O ATOM 694 CB THR A 44 35.442 35.890 45.442 1.00 0.00 C ATOM 695 OG1 THR A 44 35.331 37.166 44.859 1.00 0.00 O ATOM 696 CG2 THR A 44 36.820 35.770 46.098 1.00 0.00 C ATOM 0 H THR A 44 35.959 36.174 42.928 1.00 0.00 H new ATOM 0 HA THR A 44 35.457 33.842 44.651 1.00 0.00 H new ATOM 0 HB THR A 44 34.705 35.721 46.227 1.00 0.00 H new ATOM 0 HG1 THR A 44 35.190 37.835 45.561 1.00 0.00 H new ATOM 0 HG21 THR A 44 36.925 36.535 46.867 1.00 0.00 H new ATOM 0 HG22 THR A 44 36.923 34.784 46.551 1.00 0.00 H new ATOM 0 HG23 THR A 44 37.595 35.905 45.344 1.00 0.00 H new ATOM 704 N GLY A 45 33.209 35.853 43.264 1.00 0.00 N ATOM 705 CA GLY A 45 31.782 36.059 42.956 1.00 0.00 C ATOM 706 C GLY A 45 31.114 37.221 43.707 1.00 0.00 C ATOM 707 O GLY A 45 29.911 37.431 43.545 1.00 0.00 O ATOM 0 H GLY A 45 33.809 36.561 42.841 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.679 36.232 41.885 1.00 0.00 H new ATOM 0 HA3 GLY A 45 31.241 35.141 43.184 1.00 0.00 H new ATOM 711 N GLU A 46 31.858 37.984 44.515 1.00 0.00 N ATOM 712 CA GLU A 46 31.350 39.176 45.212 1.00 0.00 C ATOM 713 C GLU A 46 31.006 40.294 44.210 1.00 0.00 C ATOM 714 O GLU A 46 31.760 40.528 43.263 1.00 0.00 O ATOM 715 CB GLU A 46 32.385 39.663 46.237 1.00 0.00 C ATOM 716 CG GLU A 46 32.572 38.670 47.396 1.00 0.00 C ATOM 717 CD GLU A 46 33.941 38.841 48.065 1.00 0.00 C ATOM 718 OE1 GLU A 46 34.958 38.541 47.397 1.00 0.00 O ATOM 719 OE2 GLU A 46 33.990 39.242 49.252 1.00 0.00 O ATOM 0 H GLU A 46 32.841 37.791 44.707 1.00 0.00 H new ATOM 0 HA GLU A 46 30.434 38.908 45.738 1.00 0.00 H new ATOM 0 HB2 GLU A 46 33.341 39.819 45.738 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.072 40.628 46.635 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.784 38.818 48.134 1.00 0.00 H new ATOM 0 HG3 GLU A 46 32.473 37.651 47.023 1.00 0.00 H new ATOM 726 N THR A 47 29.871 40.979 44.414 1.00 0.00 N ATOM 727 CA THR A 47 29.336 42.054 43.552 1.00 0.00 C ATOM 728 C THR A 47 29.154 43.326 44.385 1.00 0.00 C ATOM 729 O THR A 47 28.862 43.257 45.580 1.00 0.00 O ATOM 730 CB THR A 47 28.013 41.609 42.901 1.00 0.00 C ATOM 731 OG1 THR A 47 28.254 40.456 42.132 1.00 0.00 O ATOM 732 CG2 THR A 47 27.374 42.609 41.934 1.00 0.00 C ATOM 0 H THR A 47 29.272 40.794 45.218 1.00 0.00 H new ATOM 0 HA THR A 47 30.040 42.266 42.747 1.00 0.00 H new ATOM 0 HB THR A 47 27.332 41.473 43.741 1.00 0.00 H new ATOM 0 HG1 THR A 47 27.418 40.161 41.713 1.00 0.00 H new ATOM 0 HG21 THR A 47 26.449 42.191 41.537 1.00 0.00 H new ATOM 0 HG22 THR A 47 27.155 43.537 42.462 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.062 42.812 41.114 1.00 0.00 H new ATOM 740 N GLY A 48 29.334 44.484 43.749 1.00 0.00 N ATOM 741 CA GLY A 48 29.287 45.811 44.369 1.00 0.00 C ATOM 742 C GLY A 48 29.646 46.947 43.414 1.00 0.00 C ATOM 743 O GLY A 48 29.439 46.857 42.201 1.00 0.00 O ATOM 0 H GLY A 48 29.524 44.526 42.748 1.00 0.00 H new ATOM 0 HA2 GLY A 48 28.286 45.983 44.764 1.00 0.00 H new ATOM 0 HA3 GLY A 48 29.972 45.831 45.217 1.00 0.00 H new ATOM 747 N TYR A 49 30.194 48.021 43.979 1.00 0.00 N ATOM 748 CA TYR A 49 30.694 49.192 43.251 1.00 0.00 C ATOM 749 C TYR A 49 32.221 49.376 43.350 1.00 0.00 C ATOM 750 O TYR A 49 32.857 49.024 44.340 1.00 0.00 O ATOM 751 CB TYR A 49 30.013 50.461 43.779 1.00 0.00 C ATOM 752 CG TYR A 49 28.593 50.661 43.305 1.00 0.00 C ATOM 753 CD1 TYR A 49 28.353 51.221 42.035 1.00 0.00 C ATOM 754 CD2 TYR A 49 27.515 50.345 44.152 1.00 0.00 C ATOM 755 CE1 TYR A 49 27.037 51.490 41.621 1.00 0.00 C ATOM 756 CE2 TYR A 49 26.198 50.605 43.742 1.00 0.00 C ATOM 757 CZ TYR A 49 25.956 51.190 42.483 1.00 0.00 C ATOM 758 OH TYR A 49 24.680 51.483 42.127 1.00 0.00 O ATOM 0 H TYR A 49 30.307 48.106 44.989 1.00 0.00 H new ATOM 0 HA TYR A 49 30.455 49.020 42.201 1.00 0.00 H new ATOM 0 HB2 TYR A 49 30.017 50.432 44.869 1.00 0.00 H new ATOM 0 HB3 TYR A 49 30.606 51.326 43.481 1.00 0.00 H new ATOM 0 HD1 TYR A 49 29.181 51.444 41.379 1.00 0.00 H new ATOM 0 HD2 TYR A 49 27.701 49.902 45.119 1.00 0.00 H new ATOM 0 HE1 TYR A 49 26.852 51.924 40.649 1.00 0.00 H new ATOM 0 HE2 TYR A 49 25.371 50.357 44.391 1.00 0.00 H new ATOM 0 HH TYR A 49 24.686 52.118 41.380 1.00 0.00 H new ATOM 768 N ILE A 50 32.781 50.023 42.332 1.00 0.00 N ATOM 769 CA ILE A 50 34.119 50.639 42.311 1.00 0.00 C ATOM 770 C ILE A 50 34.069 52.024 41.648 1.00 0.00 C ATOM 771 O ILE A 50 33.209 52.225 40.787 1.00 0.00 O ATOM 772 CB ILE A 50 35.149 49.750 41.571 1.00 0.00 C ATOM 773 CG1 ILE A 50 34.612 49.252 40.206 1.00 0.00 C ATOM 774 CG2 ILE A 50 35.627 48.625 42.508 1.00 0.00 C ATOM 775 CD1 ILE A 50 35.669 48.581 39.325 1.00 0.00 C ATOM 0 H ILE A 50 32.291 50.142 41.445 1.00 0.00 H new ATOM 0 HA ILE A 50 34.438 50.744 43.348 1.00 0.00 H new ATOM 0 HB ILE A 50 36.025 50.347 41.315 1.00 0.00 H new ATOM 0 HG12 ILE A 50 33.801 48.546 40.383 1.00 0.00 H new ATOM 0 HG13 ILE A 50 34.187 50.097 39.665 1.00 0.00 H new ATOM 0 HG21 ILE A 50 36.352 48.000 41.986 1.00 0.00 H new ATOM 0 HG22 ILE A 50 36.093 49.061 43.392 1.00 0.00 H new ATOM 0 HG23 ILE A 50 34.775 48.017 42.810 1.00 0.00 H new ATOM 0 HD11 ILE A 50 35.212 48.261 38.388 1.00 0.00 H new ATOM 0 HD12 ILE A 50 36.470 49.289 39.115 1.00 0.00 H new ATOM 0 HD13 ILE A 50 36.078 47.714 39.844 1.00 0.00 H new ATOM 787 N PRO A 51 34.982 52.956 41.984 1.00 0.00 N ATOM 788 CA PRO A 51 35.219 54.138 41.171 1.00 0.00 C ATOM 789 C PRO A 51 35.698 53.707 39.779 1.00 0.00 C ATOM 790 O PRO A 51 36.565 52.846 39.648 1.00 0.00 O ATOM 791 CB PRO A 51 36.277 54.973 41.906 1.00 0.00 C ATOM 792 CG PRO A 51 36.332 54.375 43.311 1.00 0.00 C ATOM 793 CD PRO A 51 35.911 52.923 43.101 1.00 0.00 C ATOM 0 HA PRO A 51 34.315 54.731 41.030 1.00 0.00 H new ATOM 0 HB2 PRO A 51 37.246 54.911 41.410 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.001 56.027 41.934 1.00 0.00 H new ATOM 0 HG2 PRO A 51 37.333 54.444 43.737 1.00 0.00 H new ATOM 0 HG3 PRO A 51 35.658 54.893 43.994 1.00 0.00 H new ATOM 0 HD2 PRO A 51 36.771 52.291 42.880 1.00 0.00 H new ATOM 0 HD3 PRO A 51 35.438 52.516 43.995 1.00 0.00 H new ATOM 801 N SER A 52 35.155 54.312 38.729 1.00 0.00 N ATOM 802 CA SER A 52 35.503 54.014 37.337 1.00 0.00 C ATOM 803 C SER A 52 36.970 54.271 36.930 1.00 0.00 C ATOM 804 O SER A 52 37.481 53.465 36.139 1.00 0.00 O ATOM 805 CB SER A 52 34.571 54.784 36.404 1.00 0.00 C ATOM 806 OG SER A 52 34.904 56.150 36.381 1.00 0.00 O ATOM 0 H SER A 52 34.445 55.039 38.819 1.00 0.00 H new ATOM 0 HA SER A 52 35.377 52.935 37.244 1.00 0.00 H new ATOM 0 HB2 SER A 52 34.636 54.372 35.397 1.00 0.00 H new ATOM 0 HB3 SER A 52 33.539 54.662 36.732 1.00 0.00 H new ATOM 0 HG SER A 52 34.116 56.675 36.127 1.00 0.00 H new ATOM 812 N PRO A 53 37.698 55.307 37.427 1.00 0.00 N ATOM 813 CA PRO A 53 39.078 55.526 36.994 1.00 0.00 C ATOM 814 C PRO A 53 40.054 54.442 37.487 1.00 0.00 C ATOM 815 O PRO A 53 41.208 54.436 37.065 1.00 0.00 O ATOM 816 CB PRO A 53 39.464 56.923 37.490 1.00 0.00 C ATOM 817 CG PRO A 53 38.558 57.144 38.694 1.00 0.00 C ATOM 818 CD PRO A 53 37.282 56.417 38.291 1.00 0.00 C ATOM 0 HA PRO A 53 39.144 55.459 35.908 1.00 0.00 H new ATOM 0 HB2 PRO A 53 40.517 56.972 37.767 1.00 0.00 H new ATOM 0 HB3 PRO A 53 39.301 57.679 36.722 1.00 0.00 H new ATOM 0 HG2 PRO A 53 38.989 56.731 39.606 1.00 0.00 H new ATOM 0 HG3 PRO A 53 38.380 58.204 38.877 1.00 0.00 H new ATOM 0 HD2 PRO A 53 36.750 56.049 39.168 1.00 0.00 H new ATOM 0 HD3 PRO A 53 36.602 57.087 37.764 1.00 0.00 H new