USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 525 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 10:sc= 1.07 USER MOD Single : A 7 ASN : amide:sc= -0.0863 X(o=-0.086,f=-0.086) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -150:sc= -0.742 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 35 ASN : amide:sc= -0.0558 X(o=-0.056,f=-0.3) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -140:sc= -2.38 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.812 -0.170 -0.682 1.00 60.23 N ATOM 19 CA LYS A 2 6.181 0.306 -0.520 1.00 74.03 C ATOM 20 C LYS A 2 6.675 0.983 -1.794 1.00 44.33 C ATOM 21 O LYS A 2 6.335 0.568 -2.902 1.00 41.33 O ATOM 22 CB LYS A 2 7.107 -0.856 -0.155 1.00 31.10 C ATOM 23 CG LYS A 2 6.805 -1.472 1.200 1.00 34.01 C ATOM 24 CD LYS A 2 8.044 -1.526 2.077 1.00 64.40 C ATOM 25 CE LYS A 2 7.815 -2.381 3.314 1.00 62.52 C ATOM 26 NZ LYS A 2 8.918 -3.360 3.524 1.00 40.12 N ATOM 0 HA LYS A 2 6.192 1.038 0.287 1.00 74.03 H new ATOM 0 HB2 LYS A 2 7.028 -1.627 -0.921 1.00 31.10 H new ATOM 0 HB3 LYS A 2 8.139 -0.504 -0.163 1.00 31.10 H new ATOM 0 HG2 LYS A 2 6.030 -0.891 1.700 1.00 34.01 H new ATOM 0 HG3 LYS A 2 6.411 -2.479 1.063 1.00 34.01 H new ATOM 0 HD2 LYS A 2 8.879 -1.929 1.504 1.00 64.40 H new ATOM 0 HD3 LYS A 2 8.322 -0.516 2.378 1.00 64.40 H new ATOM 0 HE2 LYS A 2 7.729 -1.737 4.189 1.00 62.52 H new ATOM 0 HE3 LYS A 2 6.870 -2.915 3.217 1.00 62.52 H new ATOM 0 HZ1 LYS A 2 8.725 -3.923 4.377 1.00 40.12 H new ATOM 0 HZ2 LYS A 2 8.984 -3.991 2.700 1.00 40.12 H new ATOM 0 HZ3 LYS A 2 9.817 -2.850 3.642 1.00 40.12 H new ATOM 40 N VAL A 3 7.482 2.027 -1.629 1.00 53.24 N ATOM 41 CA VAL A 3 8.026 2.760 -2.766 1.00 54.23 C ATOM 42 C VAL A 3 9.543 2.870 -2.674 1.00 64.33 C ATOM 43 O VAL A 3 10.107 2.932 -1.581 1.00 73.32 O ATOM 44 CB VAL A 3 7.425 4.175 -2.861 1.00 54.14 C ATOM 45 CG1 VAL A 3 7.411 4.654 -4.305 1.00 74.41 C ATOM 46 CG2 VAL A 3 6.023 4.199 -2.269 1.00 45.24 C ATOM 0 H VAL A 3 7.773 2.384 -0.719 1.00 53.24 H new ATOM 0 HA VAL A 3 7.759 2.199 -3.661 1.00 54.23 H new ATOM 0 HB VAL A 3 8.050 4.856 -2.284 1.00 54.14 H new ATOM 0 HG11 VAL A 3 6.983 5.655 -4.352 1.00 74.41 H new ATOM 0 HG12 VAL A 3 8.430 4.677 -4.691 1.00 74.41 H new ATOM 0 HG13 VAL A 3 6.810 3.974 -4.908 1.00 74.41 H new ATOM 0 HG21 VAL A 3 5.613 5.206 -2.344 1.00 45.24 H new ATOM 0 HG22 VAL A 3 5.385 3.506 -2.817 1.00 45.24 H new ATOM 0 HG23 VAL A 3 6.065 3.902 -1.221 1.00 45.24 H new ATOM 56 N TYR A 4 10.200 2.894 -3.829 1.00 22.44 N ATOM 57 CA TYR A 4 11.654 2.994 -3.879 1.00 30.11 C ATOM 58 C TYR A 4 12.097 3.927 -5.001 1.00 42.33 C ATOM 59 O TYR A 4 11.891 3.641 -6.181 1.00 12.02 O ATOM 60 CB TYR A 4 12.275 1.610 -4.076 1.00 41.01 C ATOM 61 CG TYR A 4 13.418 1.595 -5.066 1.00 31.20 C ATOM 62 CD1 TYR A 4 14.679 2.056 -4.708 1.00 31.31 C ATOM 63 CD2 TYR A 4 13.237 1.121 -6.359 1.00 72.52 C ATOM 64 CE1 TYR A 4 15.726 2.044 -5.609 1.00 40.40 C ATOM 65 CE2 TYR A 4 14.278 1.104 -7.266 1.00 44.14 C ATOM 66 CZ TYR A 4 15.521 1.567 -6.887 1.00 11.22 C ATOM 67 OH TYR A 4 16.561 1.554 -7.788 1.00 73.10 O ATOM 0 H TYR A 4 9.749 2.846 -4.742 1.00 22.44 H new ATOM 0 HA TYR A 4 11.997 3.407 -2.931 1.00 30.11 H new ATOM 0 HB2 TYR A 4 12.633 1.241 -3.115 1.00 41.01 H new ATOM 0 HB3 TYR A 4 11.503 0.919 -4.415 1.00 41.01 H new ATOM 0 HD1 TYR A 4 14.843 2.430 -3.708 1.00 31.31 H new ATOM 0 HD2 TYR A 4 12.265 0.759 -6.660 1.00 72.52 H new ATOM 0 HE1 TYR A 4 16.700 2.406 -5.314 1.00 40.40 H new ATOM 0 HE2 TYR A 4 14.120 0.730 -8.267 1.00 44.14 H new ATOM 0 HH TYR A 4 17.398 1.764 -7.324 1.00 73.10 H new ATOM 77 N VAL A 5 12.709 5.046 -4.625 1.00 73.00 N ATOM 78 CA VAL A 5 13.184 6.022 -5.598 1.00 54.23 C ATOM 79 C VAL A 5 14.707 6.040 -5.661 1.00 32.42 C ATOM 80 O VAL A 5 15.369 6.578 -4.774 1.00 72.43 O ATOM 81 CB VAL A 5 12.678 7.438 -5.265 1.00 41.53 C ATOM 82 CG1 VAL A 5 11.186 7.551 -5.538 1.00 31.11 C ATOM 83 CG2 VAL A 5 12.992 7.789 -3.819 1.00 1.33 C ATOM 0 H VAL A 5 12.887 5.299 -3.653 1.00 73.00 H new ATOM 0 HA VAL A 5 12.787 5.721 -6.568 1.00 54.23 H new ATOM 0 HB VAL A 5 13.195 8.150 -5.908 1.00 41.53 H new ATOM 0 HG11 VAL A 5 10.847 8.559 -5.297 1.00 31.11 H new ATOM 0 HG12 VAL A 5 10.992 7.345 -6.591 1.00 31.11 H new ATOM 0 HG13 VAL A 5 10.648 6.830 -4.922 1.00 31.11 H new ATOM 0 HG21 VAL A 5 12.628 8.793 -3.601 1.00 1.33 H new ATOM 0 HG22 VAL A 5 12.504 7.074 -3.157 1.00 1.33 H new ATOM 0 HG23 VAL A 5 14.070 7.752 -3.661 1.00 1.33 H new ATOM 93 N GLY A 6 15.257 5.447 -6.716 1.00 64.01 N ATOM 94 CA GLY A 6 16.699 5.406 -6.875 1.00 62.14 C ATOM 95 C GLY A 6 17.183 6.292 -8.006 1.00 61.43 C ATOM 96 O GLY A 6 16.420 7.091 -8.547 1.00 63.13 O ATOM 0 H GLY A 6 14.730 4.994 -7.463 1.00 64.01 H new ATOM 0 HA2 GLY A 6 17.173 5.718 -5.945 1.00 62.14 H new ATOM 0 HA3 GLY A 6 17.012 4.379 -7.063 1.00 62.14 H new ATOM 100 N ASN A 7 18.456 6.151 -8.363 1.00 75.44 N ATOM 101 CA ASN A 7 19.041 6.946 -9.436 1.00 50.52 C ATOM 102 C ASN A 7 19.082 8.424 -9.057 1.00 74.15 C ATOM 103 O ASN A 7 18.285 9.224 -9.550 1.00 3.53 O ATOM 104 CB ASN A 7 18.245 6.762 -10.729 1.00 74.35 C ATOM 105 CG ASN A 7 18.879 5.745 -11.659 1.00 32.13 C ATOM 106 OD1 ASN A 7 19.444 6.100 -12.693 1.00 55.33 O ATOM 107 ND2 ASN A 7 18.788 4.472 -11.293 1.00 32.42 N ATOM 0 H ASN A 7 19.101 5.494 -7.925 1.00 75.44 H new ATOM 0 HA ASN A 7 20.063 6.600 -9.595 1.00 50.52 H new ATOM 0 HB2 ASN A 7 17.231 6.445 -10.486 1.00 74.35 H new ATOM 0 HB3 ASN A 7 18.165 7.720 -11.243 1.00 74.35 H new ATOM 0 HD21 ASN A 7 19.196 3.743 -11.878 1.00 32.42 H new ATOM 0 HD22 ASN A 7 18.310 4.223 -10.427 1.00 32.42 H new ATOM 114 N LEU A 8 20.014 8.779 -8.181 1.00 24.44 N ATOM 115 CA LEU A 8 20.160 10.160 -7.736 1.00 3.24 C ATOM 116 C LEU A 8 21.356 10.826 -8.409 1.00 22.20 C ATOM 117 O LEU A 8 21.892 10.315 -9.391 1.00 61.25 O ATOM 118 CB LEU A 8 20.322 10.213 -6.215 1.00 70.34 C ATOM 119 CG LEU A 8 19.440 9.255 -5.413 1.00 51.42 C ATOM 120 CD1 LEU A 8 19.780 9.330 -3.933 1.00 24.41 C ATOM 121 CD2 LEU A 8 17.968 9.569 -5.640 1.00 43.22 C ATOM 0 H LEU A 8 20.681 8.129 -7.764 1.00 24.44 H new ATOM 0 HA LEU A 8 19.258 10.703 -8.019 1.00 3.24 H new ATOM 0 HB2 LEU A 8 21.364 10.004 -5.973 1.00 70.34 H new ATOM 0 HB3 LEU A 8 20.115 11.230 -5.883 1.00 70.34 H new ATOM 0 HG LEU A 8 19.632 8.239 -5.758 1.00 51.42 H new ATOM 0 HD11 LEU A 8 19.143 8.642 -3.378 1.00 24.41 H new ATOM 0 HD12 LEU A 8 20.825 9.056 -3.785 1.00 24.41 H new ATOM 0 HD13 LEU A 8 19.617 10.346 -3.573 1.00 24.41 H new ATOM 0 HD21 LEU A 8 17.355 8.878 -5.062 1.00 43.22 H new ATOM 0 HD22 LEU A 8 17.761 10.591 -5.322 1.00 43.22 H new ATOM 0 HD23 LEU A 8 17.733 9.464 -6.699 1.00 43.22 H new ATOM 161 N ALA A 12 18.933 15.343 -6.703 1.00 61.35 N ATOM 162 CA ALA A 12 17.633 14.694 -6.813 1.00 75.04 C ATOM 163 C ALA A 12 17.517 13.526 -5.839 1.00 43.52 C ATOM 164 O ALA A 12 18.087 12.460 -6.063 1.00 64.45 O ATOM 165 CB ALA A 12 17.399 14.219 -8.240 1.00 34.22 C ATOM 0 HA ALA A 12 16.867 15.425 -6.555 1.00 75.04 H new ATOM 0 HB1 ALA A 12 16.424 13.736 -8.307 1.00 34.22 H new ATOM 0 HB2 ALA A 12 17.429 15.073 -8.917 1.00 34.22 H new ATOM 0 HB3 ALA A 12 18.176 13.508 -8.519 1.00 34.22 H new ATOM 171 N GLY A 13 16.776 13.737 -4.756 1.00 20.45 N ATOM 172 CA GLY A 13 16.601 12.693 -3.763 1.00 34.41 C ATOM 173 C GLY A 13 15.432 12.964 -2.837 1.00 32.14 C ATOM 174 O GLY A 13 14.287 13.056 -3.280 1.00 12.44 O ATOM 0 H GLY A 13 16.294 14.612 -4.548 1.00 20.45 H new ATOM 0 HA2 GLY A 13 16.448 11.739 -4.267 1.00 34.41 H new ATOM 0 HA3 GLY A 13 17.513 12.600 -3.174 1.00 34.41 H new ATOM 178 N LYS A 14 15.719 13.090 -1.545 1.00 41.25 N ATOM 179 CA LYS A 14 14.684 13.352 -0.553 1.00 33.12 C ATOM 180 C LYS A 14 13.823 14.542 -0.965 1.00 70.21 C ATOM 181 O LYS A 14 12.595 14.463 -0.961 1.00 2.34 O ATOM 182 CB LYS A 14 15.316 13.616 0.816 1.00 74.12 C ATOM 183 CG LYS A 14 14.560 12.977 1.968 1.00 22.50 C ATOM 184 CD LYS A 14 15.079 13.460 3.312 1.00 41.22 C ATOM 185 CE LYS A 14 14.135 13.082 4.443 1.00 63.52 C ATOM 186 NZ LYS A 14 13.316 14.241 4.894 1.00 64.25 N ATOM 0 H LYS A 14 16.661 13.015 -1.161 1.00 41.25 H new ATOM 0 HA LYS A 14 14.047 12.470 -0.489 1.00 33.12 H new ATOM 0 HB2 LYS A 14 16.340 13.242 0.812 1.00 74.12 H new ATOM 0 HB3 LYS A 14 15.370 14.692 0.980 1.00 74.12 H new ATOM 0 HG2 LYS A 14 13.499 13.210 1.882 1.00 22.50 H new ATOM 0 HG3 LYS A 14 14.654 11.893 1.909 1.00 22.50 H new ATOM 0 HD2 LYS A 14 16.063 13.030 3.499 1.00 41.22 H new ATOM 0 HD3 LYS A 14 15.204 14.543 3.287 1.00 41.22 H new ATOM 0 HE2 LYS A 14 13.476 12.279 4.113 1.00 63.52 H new ATOM 0 HE3 LYS A 14 14.712 12.696 5.284 1.00 63.52 H new ATOM 0 HZ1 LYS A 14 12.686 13.942 5.665 1.00 64.25 H new ATOM 0 HZ2 LYS A 14 13.943 14.998 5.233 1.00 64.25 H new ATOM 0 HZ3 LYS A 14 12.746 14.594 4.099 1.00 64.25 H new ATOM 200 N GLY A 15 14.476 15.644 -1.323 1.00 20.54 N ATOM 201 CA GLY A 15 13.754 16.833 -1.734 1.00 40.30 C ATOM 202 C GLY A 15 12.955 16.617 -3.004 1.00 63.40 C ATOM 203 O GLY A 15 11.782 16.980 -3.076 1.00 1.31 O ATOM 0 H GLY A 15 15.492 15.734 -1.335 1.00 20.54 H new ATOM 0 HA2 GLY A 15 13.081 17.141 -0.933 1.00 40.30 H new ATOM 0 HA3 GLY A 15 14.461 17.648 -1.888 1.00 40.30 H new ATOM 207 N GLU A 16 13.593 16.024 -4.009 1.00 2.03 N ATOM 208 CA GLU A 16 12.934 15.762 -5.283 1.00 0.52 C ATOM 209 C GLU A 16 11.719 14.859 -5.092 1.00 23.25 C ATOM 210 O GLU A 16 10.593 15.236 -5.418 1.00 61.23 O ATOM 211 CB GLU A 16 13.913 15.118 -6.266 1.00 62.20 C ATOM 212 CG GLU A 16 14.467 16.087 -7.297 1.00 22.21 C ATOM 213 CD GLU A 16 13.380 16.730 -8.136 1.00 4.40 C ATOM 214 OE1 GLU A 16 12.471 16.004 -8.588 1.00 41.14 O ATOM 215 OE2 GLU A 16 13.440 17.961 -8.340 1.00 14.23 O ATOM 0 H GLU A 16 14.565 15.716 -3.965 1.00 2.03 H new ATOM 0 HA GLU A 16 12.596 16.715 -5.690 1.00 0.52 H new ATOM 0 HB2 GLU A 16 14.741 14.682 -5.708 1.00 62.20 H new ATOM 0 HB3 GLU A 16 13.411 14.300 -6.782 1.00 62.20 H new ATOM 0 HG2 GLU A 16 15.037 16.865 -6.789 1.00 22.21 H new ATOM 0 HG3 GLU A 16 15.161 15.559 -7.951 1.00 22.21 H new ATOM 222 N LEU A 17 11.956 13.664 -4.561 1.00 11.32 N ATOM 223 CA LEU A 17 10.882 12.705 -4.326 1.00 1.12 C ATOM 224 C LEU A 17 9.805 13.303 -3.427 1.00 54.41 C ATOM 225 O LEU A 17 8.618 13.027 -3.597 1.00 73.05 O ATOM 226 CB LEU A 17 11.440 11.430 -3.692 1.00 65.32 C ATOM 227 CG LEU A 17 11.659 11.472 -2.179 1.00 43.14 C ATOM 228 CD1 LEU A 17 10.395 11.054 -1.445 1.00 53.32 C ATOM 229 CD2 LEU A 17 12.827 10.580 -1.784 1.00 70.23 C ATOM 0 H LEU A 17 12.882 13.336 -4.285 1.00 11.32 H new ATOM 0 HA LEU A 17 10.432 12.459 -5.288 1.00 1.12 H new ATOM 0 HB2 LEU A 17 10.760 10.609 -3.918 1.00 65.32 H new ATOM 0 HB3 LEU A 17 12.391 11.197 -4.170 1.00 65.32 H new ATOM 0 HG LEU A 17 11.898 12.497 -1.894 1.00 43.14 H new ATOM 0 HD11 LEU A 17 10.570 11.090 -0.370 1.00 53.32 H new ATOM 0 HD12 LEU A 17 9.583 11.733 -1.703 1.00 53.32 H new ATOM 0 HD13 LEU A 17 10.125 10.039 -1.735 1.00 53.32 H new ATOM 0 HD21 LEU A 17 12.968 10.622 -0.704 1.00 70.23 H new ATOM 0 HD22 LEU A 17 12.618 9.553 -2.083 1.00 70.23 H new ATOM 0 HD23 LEU A 17 13.733 10.925 -2.282 1.00 70.23 H new ATOM 241 N GLU A 18 10.227 14.126 -2.472 1.00 22.21 N ATOM 242 CA GLU A 18 9.297 14.764 -1.548 1.00 3.02 C ATOM 243 C GLU A 18 8.278 15.613 -2.302 1.00 0.54 C ATOM 244 O GLU A 18 7.071 15.405 -2.182 1.00 14.13 O ATOM 245 CB GLU A 18 10.057 15.632 -0.543 1.00 4.12 C ATOM 246 CG GLU A 18 9.155 16.505 0.312 1.00 13.34 C ATOM 247 CD GLU A 18 8.997 17.906 -0.247 1.00 64.22 C ATOM 248 OE1 GLU A 18 10.012 18.629 -0.333 1.00 30.42 O ATOM 249 OE2 GLU A 18 7.859 18.279 -0.600 1.00 33.42 O ATOM 0 H GLU A 18 11.206 14.366 -2.318 1.00 22.21 H new ATOM 0 HA GLU A 18 8.764 13.980 -1.010 1.00 3.02 H new ATOM 0 HB2 GLU A 18 10.647 14.987 0.108 1.00 4.12 H new ATOM 0 HB3 GLU A 18 10.759 16.268 -1.083 1.00 4.12 H new ATOM 0 HG2 GLU A 18 8.174 16.037 0.393 1.00 13.34 H new ATOM 0 HG3 GLU A 18 9.564 16.564 1.321 1.00 13.34 H new ATOM 256 N ARG A 19 8.774 16.572 -3.078 1.00 34.32 N ATOM 257 CA ARG A 19 7.907 17.454 -3.850 1.00 1.12 C ATOM 258 C ARG A 19 6.986 16.650 -4.762 1.00 71.52 C ATOM 259 O ARG A 19 5.780 16.891 -4.813 1.00 4.43 O ATOM 260 CB ARG A 19 8.745 18.426 -4.682 1.00 41.23 C ATOM 261 CG ARG A 19 8.101 19.792 -4.855 1.00 72.12 C ATOM 262 CD ARG A 19 6.683 19.675 -5.394 1.00 4.15 C ATOM 263 NE ARG A 19 5.695 19.594 -4.321 1.00 5.21 N ATOM 264 CZ ARG A 19 5.388 20.613 -3.527 1.00 0.54 C ATOM 265 NH1 ARG A 19 5.988 21.785 -3.684 1.00 1.32 N ATOM 266 NH2 ARG A 19 4.478 20.462 -2.573 1.00 21.13 N ATOM 0 H ARG A 19 9.771 16.758 -3.188 1.00 34.32 H new ATOM 0 HA ARG A 19 7.292 18.021 -3.151 1.00 1.12 H new ATOM 0 HB2 ARG A 19 9.719 18.550 -4.208 1.00 41.23 H new ATOM 0 HB3 ARG A 19 8.922 17.990 -5.665 1.00 41.23 H new ATOM 0 HG2 ARG A 19 8.086 20.312 -3.897 1.00 72.12 H new ATOM 0 HG3 ARG A 19 8.702 20.395 -5.536 1.00 72.12 H new ATOM 0 HD2 ARG A 19 6.463 20.536 -6.025 1.00 4.15 H new ATOM 0 HD3 ARG A 19 6.607 18.789 -6.025 1.00 4.15 H new ATOM 0 HE ARG A 19 5.215 18.706 -4.174 1.00 5.21 H new ATOM 0 HH11 ARG A 19 6.688 21.906 -4.416 1.00 1.32 H new ATOM 0 HH12 ARG A 19 5.750 22.566 -3.072 1.00 1.32 H new ATOM 0 HH21 ARG A 19 4.014 19.562 -2.449 1.00 21.13 H new ATOM 0 HH22 ARG A 19 4.243 21.246 -1.964 1.00 21.13 H new ATOM 280 N ALA A 20 7.563 15.693 -5.482 1.00 33.43 N ATOM 281 CA ALA A 20 6.794 14.852 -6.391 1.00 32.22 C ATOM 282 C ALA A 20 5.743 14.045 -5.636 1.00 13.21 C ATOM 283 O ALA A 20 4.542 14.246 -5.819 1.00 51.10 O ATOM 284 CB ALA A 20 7.720 13.924 -7.162 1.00 64.33 C ATOM 0 H ALA A 20 8.560 15.481 -5.453 1.00 33.43 H new ATOM 0 HA ALA A 20 6.277 15.502 -7.098 1.00 32.22 H new ATOM 0 HB1 ALA A 20 7.132 13.302 -7.837 1.00 64.33 H new ATOM 0 HB2 ALA A 20 8.430 14.516 -7.740 1.00 64.33 H new ATOM 0 HB3 ALA A 20 8.263 13.288 -6.463 1.00 64.33 H new ATOM 290 N PHE A 21 6.202 13.131 -4.787 1.00 53.33 N ATOM 291 CA PHE A 21 5.300 12.293 -4.006 1.00 24.24 C ATOM 292 C PHE A 21 4.211 13.133 -3.345 1.00 44.11 C ATOM 293 O PHE A 21 3.026 12.815 -3.437 1.00 13.40 O ATOM 294 CB PHE A 21 6.082 11.522 -2.940 1.00 3.01 C ATOM 295 CG PHE A 21 6.717 10.263 -3.456 1.00 63.51 C ATOM 296 CD1 PHE A 21 7.489 10.281 -4.607 1.00 10.42 C ATOM 297 CD2 PHE A 21 6.543 9.060 -2.790 1.00 61.05 C ATOM 298 CE1 PHE A 21 8.074 9.124 -5.084 1.00 73.33 C ATOM 299 CE2 PHE A 21 7.126 7.899 -3.263 1.00 12.00 C ATOM 300 CZ PHE A 21 7.893 7.931 -4.411 1.00 11.31 C ATOM 0 H PHE A 21 7.193 12.952 -4.623 1.00 53.33 H new ATOM 0 HA PHE A 21 4.825 11.584 -4.684 1.00 24.24 H new ATOM 0 HB2 PHE A 21 6.858 12.169 -2.531 1.00 3.01 H new ATOM 0 HB3 PHE A 21 5.411 11.271 -2.119 1.00 3.01 H new ATOM 0 HD1 PHE A 21 7.635 11.211 -5.137 1.00 10.42 H new ATOM 0 HD2 PHE A 21 5.945 9.029 -1.891 1.00 61.05 H new ATOM 0 HE1 PHE A 21 8.673 9.152 -5.983 1.00 73.33 H new ATOM 0 HE2 PHE A 21 6.982 6.968 -2.735 1.00 12.00 H new ATOM 0 HZ PHE A 21 8.350 7.026 -4.782 1.00 11.31 H new ATOM 310 N SER A 22 4.623 14.207 -2.679 1.00 24.13 N ATOM 311 CA SER A 22 3.684 15.091 -1.999 1.00 4.25 C ATOM 312 C SER A 22 2.637 15.624 -2.972 1.00 22.31 C ATOM 313 O SER A 22 1.452 15.700 -2.646 1.00 62.41 O ATOM 314 CB SER A 22 4.430 16.257 -1.346 1.00 61.12 C ATOM 315 OG SER A 22 3.525 17.233 -0.860 1.00 42.33 O ATOM 0 H SER A 22 5.601 14.486 -2.596 1.00 24.13 H new ATOM 0 HA SER A 22 3.176 14.515 -1.226 1.00 4.25 H new ATOM 0 HB2 SER A 22 5.045 15.886 -0.526 1.00 61.12 H new ATOM 0 HB3 SER A 22 5.106 16.712 -2.070 1.00 61.12 H new ATOM 0 HG SER A 22 4.026 17.967 -0.446 1.00 42.33 H new ATOM 321 N TYR A 23 3.083 15.991 -4.168 1.00 2.21 N ATOM 322 CA TYR A 23 2.186 16.519 -5.189 1.00 43.10 C ATOM 323 C TYR A 23 1.122 15.492 -5.563 1.00 61.12 C ATOM 324 O TYR A 23 -0.047 15.831 -5.746 1.00 52.12 O ATOM 325 CB TYR A 23 2.979 16.925 -6.433 1.00 14.42 C ATOM 326 CG TYR A 23 2.860 18.394 -6.773 1.00 72.25 C ATOM 327 CD1 TYR A 23 3.043 19.369 -5.801 1.00 50.42 C ATOM 328 CD2 TYR A 23 2.563 18.806 -8.067 1.00 25.51 C ATOM 329 CE1 TYR A 23 2.935 20.712 -6.107 1.00 52.25 C ATOM 330 CE2 TYR A 23 2.455 20.146 -8.383 1.00 32.05 C ATOM 331 CZ TYR A 23 2.641 21.095 -7.399 1.00 41.45 C ATOM 332 OH TYR A 23 2.532 22.432 -7.710 1.00 23.34 O ATOM 0 H TYR A 23 4.060 15.933 -4.454 1.00 2.21 H new ATOM 0 HA TYR A 23 1.688 17.398 -4.780 1.00 43.10 H new ATOM 0 HB2 TYR A 23 4.030 16.680 -6.280 1.00 14.42 H new ATOM 0 HB3 TYR A 23 2.634 16.335 -7.282 1.00 14.42 H new ATOM 0 HD1 TYR A 23 3.274 19.072 -4.789 1.00 50.42 H new ATOM 0 HD2 TYR A 23 2.414 18.065 -8.839 1.00 25.51 H new ATOM 0 HE1 TYR A 23 3.080 21.457 -5.339 1.00 52.25 H new ATOM 0 HE2 TYR A 23 2.226 20.449 -9.394 1.00 32.05 H new ATOM 0 HH TYR A 23 2.322 22.530 -8.662 1.00 23.34 H new ATOM 342 N TYR A 24 1.536 14.235 -5.675 1.00 23.24 N ATOM 343 CA TYR A 24 0.620 13.157 -6.029 1.00 25.15 C ATOM 344 C TYR A 24 -0.269 12.787 -4.845 1.00 41.14 C ATOM 345 O TYR A 24 -1.434 12.431 -5.017 1.00 50.41 O ATOM 346 CB TYR A 24 1.402 11.928 -6.497 1.00 2.32 C ATOM 347 CG TYR A 24 1.884 12.026 -7.927 1.00 2.14 C ATOM 348 CD1 TYR A 24 2.798 13.001 -8.308 1.00 31.15 C ATOM 349 CD2 TYR A 24 1.426 11.143 -8.896 1.00 64.45 C ATOM 350 CE1 TYR A 24 3.240 13.094 -9.613 1.00 3.22 C ATOM 351 CE2 TYR A 24 1.864 11.228 -10.204 1.00 24.50 C ATOM 352 CZ TYR A 24 2.771 12.205 -10.557 1.00 51.32 C ATOM 353 OH TYR A 24 3.210 12.294 -11.858 1.00 42.03 O ATOM 0 H TYR A 24 2.500 13.937 -5.526 1.00 23.24 H new ATOM 0 HA TYR A 24 -0.016 13.507 -6.843 1.00 25.15 H new ATOM 0 HB2 TYR A 24 2.261 11.783 -5.842 1.00 2.32 H new ATOM 0 HB3 TYR A 24 0.771 11.045 -6.395 1.00 2.32 H new ATOM 0 HD1 TYR A 24 3.169 13.698 -7.571 1.00 31.15 H new ATOM 0 HD2 TYR A 24 0.715 10.377 -8.623 1.00 64.45 H new ATOM 0 HE1 TYR A 24 3.949 13.859 -9.893 1.00 3.22 H new ATOM 0 HE2 TYR A 24 1.498 10.533 -10.945 1.00 24.50 H new ATOM 0 HH TYR A 24 2.507 11.978 -12.463 1.00 42.03 H new ATOM 363 N GLY A 25 0.291 12.875 -3.642 1.00 73.24 N ATOM 364 CA GLY A 25 -0.464 12.547 -2.447 1.00 55.23 C ATOM 365 C GLY A 25 0.416 12.429 -1.219 1.00 41.11 C ATOM 366 O GLY A 25 1.620 12.190 -1.313 1.00 43.30 O ATOM 0 H GLY A 25 1.254 13.167 -3.474 1.00 73.24 H new ATOM 0 HA2 GLY A 25 -1.219 13.314 -2.276 1.00 55.23 H new ATOM 0 HA3 GLY A 25 -0.994 11.607 -2.602 1.00 55.23 H new ATOM 370 N PRO A 26 -0.188 12.600 -0.034 1.00 53.51 N ATOM 371 CA PRO A 26 0.531 12.517 1.241 1.00 53.53 C ATOM 372 C PRO A 26 0.977 11.095 1.563 1.00 15.32 C ATOM 373 O PRO A 26 0.151 10.194 1.716 1.00 55.35 O ATOM 374 CB PRO A 26 -0.502 12.999 2.263 1.00 73.24 C ATOM 375 CG PRO A 26 -1.821 12.711 1.632 1.00 11.14 C ATOM 376 CD PRO A 26 -1.620 12.888 0.153 1.00 74.13 C ATOM 0 HA PRO A 26 1.448 13.107 1.231 1.00 53.53 H new ATOM 0 HB2 PRO A 26 -0.394 12.475 3.212 1.00 73.24 H new ATOM 0 HB3 PRO A 26 -0.386 14.063 2.471 1.00 73.24 H new ATOM 0 HG2 PRO A 26 -2.151 11.698 1.862 1.00 11.14 H new ATOM 0 HG3 PRO A 26 -2.589 13.389 2.005 1.00 11.14 H new ATOM 0 HD2 PRO A 26 -2.246 12.205 -0.422 1.00 74.13 H new ATOM 0 HD3 PRO A 26 -1.872 13.899 -0.169 1.00 74.13 H new ATOM 384 N LEU A 27 2.286 10.900 1.667 1.00 44.15 N ATOM 385 CA LEU A 27 2.842 9.586 1.972 1.00 44.40 C ATOM 386 C LEU A 27 2.925 9.367 3.479 1.00 5.32 C ATOM 387 O LEU A 27 2.528 10.228 4.264 1.00 4.34 O ATOM 388 CB LEU A 27 4.231 9.441 1.347 1.00 72.44 C ATOM 389 CG LEU A 27 5.132 10.674 1.417 1.00 32.05 C ATOM 390 CD1 LEU A 27 5.353 11.091 2.863 1.00 14.41 C ATOM 391 CD2 LEU A 27 6.462 10.403 0.730 1.00 51.04 C ATOM 0 H LEU A 27 2.983 11.635 1.545 1.00 44.15 H new ATOM 0 HA LEU A 27 2.179 8.831 1.549 1.00 44.40 H new ATOM 0 HB2 LEU A 27 4.743 8.613 1.838 1.00 72.44 H new ATOM 0 HB3 LEU A 27 4.109 9.164 0.300 1.00 72.44 H new ATOM 0 HG LEU A 27 4.636 11.492 0.895 1.00 32.05 H new ATOM 0 HD11 LEU A 27 5.997 11.970 2.894 1.00 14.41 H new ATOM 0 HD12 LEU A 27 4.394 11.327 3.324 1.00 14.41 H new ATOM 0 HD13 LEU A 27 5.827 10.275 3.409 1.00 14.41 H new ATOM 0 HD21 LEU A 27 7.090 11.292 0.790 1.00 51.04 H new ATOM 0 HD22 LEU A 27 6.963 9.570 1.223 1.00 51.04 H new ATOM 0 HD23 LEU A 27 6.287 10.152 -0.316 1.00 51.04 H new ATOM 403 N ARG A 28 3.446 8.211 3.876 1.00 71.41 N ATOM 404 CA ARG A 28 3.582 7.879 5.289 1.00 21.20 C ATOM 405 C ARG A 28 4.957 8.283 5.812 1.00 3.33 C ATOM 406 O ARG A 28 5.069 9.059 6.762 1.00 22.13 O ATOM 407 CB ARG A 28 3.362 6.381 5.507 1.00 63.45 C ATOM 408 CG ARG A 28 3.345 5.974 6.971 1.00 71.21 C ATOM 409 CD ARG A 28 2.227 6.672 7.730 1.00 61.23 C ATOM 410 NE ARG A 28 2.732 7.739 8.589 1.00 2.02 N ATOM 411 CZ ARG A 28 2.013 8.315 9.546 1.00 73.30 C ATOM 412 NH1 ARG A 28 0.764 7.928 9.765 1.00 74.54 N ATOM 413 NH2 ARG A 28 2.543 9.280 10.287 1.00 73.42 N ATOM 0 H ARG A 28 3.781 7.488 3.239 1.00 71.41 H new ATOM 0 HA ARG A 28 2.824 8.434 5.841 1.00 21.20 H new ATOM 0 HB2 ARG A 28 2.417 6.091 5.047 1.00 63.45 H new ATOM 0 HB3 ARG A 28 4.149 5.828 4.994 1.00 63.45 H new ATOM 0 HG2 ARG A 28 3.220 4.894 7.048 1.00 71.21 H new ATOM 0 HG3 ARG A 28 4.304 6.217 7.429 1.00 71.21 H new ATOM 0 HD2 ARG A 28 1.511 7.086 7.020 1.00 61.23 H new ATOM 0 HD3 ARG A 28 1.690 5.942 8.336 1.00 61.23 H new ATOM 0 HE ARG A 28 3.690 8.060 8.446 1.00 2.02 H new ATOM 0 HH11 ARG A 28 0.353 7.186 9.198 1.00 74.54 H new ATOM 0 HH12 ARG A 28 0.214 8.372 10.500 1.00 74.54 H new ATOM 0 HH21 ARG A 28 3.504 9.580 10.122 1.00 73.42 H new ATOM 0 HH22 ARG A 28 1.990 9.721 11.021 1.00 73.42 H new ATOM 427 N THR A 29 6.003 7.752 5.186 1.00 31.02 N ATOM 428 CA THR A 29 7.370 8.056 5.589 1.00 22.31 C ATOM 429 C THR A 29 8.308 8.068 4.387 1.00 14.11 C ATOM 430 O THR A 29 7.956 7.591 3.308 1.00 42.10 O ATOM 431 CB THR A 29 7.891 7.038 6.621 1.00 31.13 C ATOM 432 OG1 THR A 29 9.189 7.429 7.083 1.00 71.42 O ATOM 433 CG2 THR A 29 7.960 5.643 6.018 1.00 21.15 C ATOM 0 H THR A 29 5.929 7.109 4.398 1.00 31.02 H new ATOM 0 HA THR A 29 7.352 9.047 6.043 1.00 22.31 H new ATOM 0 HB THR A 29 7.198 7.019 7.462 1.00 31.13 H new ATOM 0 HG1 THR A 29 9.512 6.778 7.740 1.00 71.42 H new ATOM 0 HG21 THR A 29 8.331 4.941 6.765 1.00 21.15 H new ATOM 0 HG22 THR A 29 6.965 5.337 5.695 1.00 21.15 H new ATOM 0 HG23 THR A 29 8.634 5.650 5.161 1.00 21.15 H new ATOM 441 N VAL A 30 9.503 8.616 4.580 1.00 1.44 N ATOM 442 CA VAL A 30 10.493 8.689 3.512 1.00 55.20 C ATOM 443 C VAL A 30 11.909 8.702 4.075 1.00 42.31 C ATOM 444 O VAL A 30 12.175 9.330 5.100 1.00 13.00 O ATOM 445 CB VAL A 30 10.286 9.942 2.641 1.00 45.44 C ATOM 446 CG1 VAL A 30 10.121 11.178 3.512 1.00 34.25 C ATOM 447 CG2 VAL A 30 11.447 10.115 1.673 1.00 65.21 C ATOM 0 H VAL A 30 9.809 9.016 5.467 1.00 1.44 H new ATOM 0 HA VAL A 30 10.360 7.800 2.895 1.00 55.20 H new ATOM 0 HB VAL A 30 9.373 9.812 2.060 1.00 45.44 H new ATOM 0 HG11 VAL A 30 9.976 12.053 2.878 1.00 34.25 H new ATOM 0 HG12 VAL A 30 9.255 11.053 4.161 1.00 34.25 H new ATOM 0 HG13 VAL A 30 11.014 11.316 4.121 1.00 34.25 H new ATOM 0 HG21 VAL A 30 11.284 11.005 1.065 1.00 65.21 H new ATOM 0 HG22 VAL A 30 12.375 10.223 2.234 1.00 65.21 H new ATOM 0 HG23 VAL A 30 11.514 9.241 1.025 1.00 65.21 H new ATOM 457 N TRP A 31 12.815 8.006 3.398 1.00 41.21 N ATOM 458 CA TRP A 31 14.206 7.938 3.831 1.00 43.14 C ATOM 459 C TRP A 31 15.131 7.667 2.649 1.00 22.01 C ATOM 460 O TRP A 31 14.776 6.932 1.728 1.00 61.55 O ATOM 461 CB TRP A 31 14.380 6.849 4.890 1.00 34.22 C ATOM 462 CG TRP A 31 13.619 5.594 4.582 1.00 5.23 C ATOM 463 CD1 TRP A 31 12.276 5.394 4.726 1.00 23.53 C ATOM 464 CD2 TRP A 31 14.159 4.367 4.080 1.00 20.21 C ATOM 465 NE1 TRP A 31 11.948 4.115 4.344 1.00 44.12 N ATOM 466 CE2 TRP A 31 13.085 3.465 3.942 1.00 4.35 C ATOM 467 CE3 TRP A 31 15.444 3.942 3.731 1.00 11.23 C ATOM 468 CZ2 TRP A 31 13.260 2.166 3.473 1.00 42.44 C ATOM 469 CZ3 TRP A 31 15.616 2.653 3.265 1.00 33.34 C ATOM 470 CH2 TRP A 31 14.529 1.777 3.139 1.00 51.34 C ATOM 0 H TRP A 31 12.612 7.481 2.547 1.00 41.21 H new ATOM 0 HA TRP A 31 14.473 8.902 4.264 1.00 43.14 H new ATOM 0 HB2 TRP A 31 15.439 6.609 4.984 1.00 34.22 H new ATOM 0 HB3 TRP A 31 14.054 7.236 5.856 1.00 34.22 H new ATOM 0 HD1 TRP A 31 11.575 6.132 5.087 1.00 23.53 H new ATOM 0 HE1 TRP A 31 11.010 3.715 4.358 1.00 44.12 H new ATOM 0 HE3 TRP A 31 16.288 4.610 3.824 1.00 11.23 H new ATOM 0 HZ2 TRP A 31 12.424 1.489 3.376 1.00 42.44 H new ATOM 0 HZ3 TRP A 31 16.605 2.314 2.993 1.00 33.34 H new ATOM 0 HH2 TRP A 31 14.696 0.775 2.771 1.00 51.34 H new ATOM 481 N ILE A 32 16.317 8.265 2.683 1.00 65.54 N ATOM 482 CA ILE A 32 17.293 8.085 1.614 1.00 11.44 C ATOM 483 C ILE A 32 18.458 7.215 2.074 1.00 11.51 C ATOM 484 O ILE A 32 18.766 7.151 3.264 1.00 72.42 O ATOM 485 CB ILE A 32 17.840 9.437 1.119 1.00 3.14 C ATOM 486 CG1 ILE A 32 16.717 10.474 1.056 1.00 43.42 C ATOM 487 CG2 ILE A 32 18.497 9.275 -0.243 1.00 42.53 C ATOM 488 CD1 ILE A 32 15.568 10.067 0.160 1.00 4.01 C ATOM 0 H ILE A 32 16.626 8.878 3.438 1.00 65.54 H new ATOM 0 HA ILE A 32 16.775 7.589 0.793 1.00 11.44 H new ATOM 0 HB ILE A 32 18.593 9.788 1.824 1.00 3.14 H new ATOM 0 HG12 ILE A 32 16.338 10.648 2.063 1.00 43.42 H new ATOM 0 HG13 ILE A 32 17.126 11.420 0.701 1.00 43.42 H new ATOM 0 HG21 ILE A 32 18.879 10.239 -0.580 1.00 42.53 H new ATOM 0 HG22 ILE A 32 19.320 8.565 -0.168 1.00 42.53 H new ATOM 0 HG23 ILE A 32 17.763 8.905 -0.959 1.00 42.53 H new ATOM 0 HD11 ILE A 32 14.809 10.849 0.164 1.00 4.01 H new ATOM 0 HD12 ILE A 32 15.933 9.921 -0.856 1.00 4.01 H new ATOM 0 HD13 ILE A 32 15.133 9.137 0.526 1.00 4.01 H new ATOM 500 N ALA A 33 19.103 6.549 1.122 1.00 4.43 N ATOM 501 CA ALA A 33 20.237 5.686 1.429 1.00 44.33 C ATOM 502 C ALA A 33 21.551 6.333 1.001 1.00 74.32 C ATOM 503 O ALA A 33 21.872 6.379 -0.187 1.00 4.45 O ATOM 504 CB ALA A 33 20.068 4.333 0.754 1.00 43.23 C ATOM 0 H ALA A 33 18.860 6.590 0.132 1.00 4.43 H new ATOM 0 HA ALA A 33 20.269 5.540 2.509 1.00 44.33 H new ATOM 0 HB1 ALA A 33 20.922 3.699 0.992 1.00 43.23 H new ATOM 0 HB2 ALA A 33 19.154 3.860 1.112 1.00 43.23 H new ATOM 0 HB3 ALA A 33 20.007 4.470 -0.326 1.00 43.23 H new ATOM 510 N ARG A 34 22.305 6.831 1.975 1.00 32.53 N ATOM 511 CA ARG A 34 23.582 7.476 1.699 1.00 43.13 C ATOM 512 C ARG A 34 24.652 6.442 1.359 1.00 12.00 C ATOM 513 O ARG A 34 25.594 6.728 0.622 1.00 40.41 O ATOM 514 CB ARG A 34 24.028 8.310 2.901 1.00 33.15 C ATOM 515 CG ARG A 34 25.260 9.157 2.632 1.00 4.32 C ATOM 516 CD ARG A 34 25.093 10.570 3.169 1.00 41.32 C ATOM 517 NE ARG A 34 25.794 11.554 2.348 1.00 4.02 N ATOM 518 CZ ARG A 34 27.111 11.729 2.375 1.00 70.52 C ATOM 519 NH1 ARG A 34 27.865 10.989 3.176 1.00 21.11 N ATOM 520 NH2 ARG A 34 27.676 12.644 1.598 1.00 11.22 N ATOM 0 H ARG A 34 22.053 6.800 2.963 1.00 32.53 H new ATOM 0 HA ARG A 34 23.449 8.133 0.839 1.00 43.13 H new ATOM 0 HB2 ARG A 34 23.209 8.962 3.204 1.00 33.15 H new ATOM 0 HB3 ARG A 34 24.232 7.644 3.739 1.00 33.15 H new ATOM 0 HG2 ARG A 34 26.131 8.692 3.094 1.00 4.32 H new ATOM 0 HG3 ARG A 34 25.450 9.194 1.559 1.00 4.32 H new ATOM 0 HD2 ARG A 34 24.033 10.820 3.208 1.00 41.32 H new ATOM 0 HD3 ARG A 34 25.469 10.616 4.191 1.00 41.32 H new ATOM 0 HE ARG A 34 25.243 12.139 1.720 1.00 4.02 H new ATOM 0 HH11 ARG A 34 27.434 10.283 3.773 1.00 21.11 H new ATOM 0 HH12 ARG A 34 28.876 11.125 3.195 1.00 21.11 H new ATOM 0 HH21 ARG A 34 27.099 13.214 0.979 1.00 11.22 H new ATOM 0 HH22 ARG A 34 28.687 12.777 1.620 1.00 11.22 H new ATOM 534 N ASN A 35 24.498 5.239 1.903 1.00 61.02 N ATOM 535 CA ASN A 35 25.451 4.162 1.658 1.00 2.43 C ATOM 536 C ASN A 35 25.734 4.014 0.166 1.00 12.54 C ATOM 537 O ASN A 35 26.867 4.156 -0.293 1.00 42.31 O ATOM 538 CB ASN A 35 24.918 2.843 2.221 1.00 53.40 C ATOM 539 CG ASN A 35 25.775 2.308 3.351 1.00 2.14 C ATOM 540 OD1 ASN A 35 26.259 3.067 4.192 1.00 74.04 O ATOM 541 ND2 ASN A 35 25.968 0.994 3.376 1.00 0.55 N ATOM 0 H ASN A 35 23.723 4.985 2.516 1.00 61.02 H new ATOM 0 HA ASN A 35 26.383 4.414 2.163 1.00 2.43 H new ATOM 0 HB2 ASN A 35 23.899 2.990 2.580 1.00 53.40 H new ATOM 0 HB3 ASN A 35 24.871 2.103 1.422 1.00 53.40 H new ATOM 0 HD21 ASN A 35 26.537 0.576 4.112 1.00 0.55 H new ATOM 0 HD22 ASN A 35 25.548 0.403 2.659 1.00 0.55 H new ATOM 548 N PRO A 36 24.679 3.723 -0.610 1.00 3.04 N ATOM 549 CA PRO A 36 24.788 3.551 -2.061 1.00 62.32 C ATOM 550 C PRO A 36 25.079 4.863 -2.781 1.00 11.34 C ATOM 551 O PRO A 36 25.012 5.946 -2.199 1.00 14.23 O ATOM 552 CB PRO A 36 23.410 3.016 -2.459 1.00 41.54 C ATOM 553 CG PRO A 36 22.491 3.511 -1.397 1.00 15.41 C ATOM 554 CD PRO A 36 23.299 3.540 -0.130 1.00 23.14 C ATOM 0 HA PRO A 36 25.612 2.891 -2.332 1.00 62.32 H new ATOM 0 HB2 PRO A 36 23.112 3.381 -3.442 1.00 41.54 H new ATOM 0 HB3 PRO A 36 23.407 1.927 -2.509 1.00 41.54 H new ATOM 0 HG2 PRO A 36 22.112 4.503 -1.641 1.00 15.41 H new ATOM 0 HG3 PRO A 36 21.626 2.856 -1.293 1.00 15.41 H new ATOM 0 HD2 PRO A 36 22.990 4.355 0.525 1.00 23.14 H new ATOM 0 HD3 PRO A 36 23.190 2.616 0.437 1.00 23.14 H new ATOM 562 N PRO A 37 25.410 4.768 -4.077 1.00 72.10 N ATOM 563 CA PRO A 37 25.716 5.939 -4.904 1.00 23.20 C ATOM 564 C PRO A 37 24.483 6.792 -5.180 1.00 42.25 C ATOM 565 O PRO A 37 24.572 8.015 -5.277 1.00 13.41 O ATOM 566 CB PRO A 37 26.245 5.327 -6.203 1.00 63.34 C ATOM 567 CG PRO A 37 25.630 3.971 -6.261 1.00 41.15 C ATOM 568 CD PRO A 37 25.509 3.510 -4.835 1.00 65.34 C ATOM 0 HA PRO A 37 26.422 6.610 -4.415 1.00 23.20 H new ATOM 0 HB2 PRO A 37 25.962 5.927 -7.068 1.00 63.34 H new ATOM 0 HB3 PRO A 37 27.333 5.268 -6.198 1.00 63.34 H new ATOM 0 HG2 PRO A 37 24.654 4.006 -6.744 1.00 41.15 H new ATOM 0 HG3 PRO A 37 26.249 3.286 -6.841 1.00 41.15 H new ATOM 0 HD2 PRO A 37 24.630 2.883 -4.689 1.00 65.34 H new ATOM 0 HD3 PRO A 37 26.374 2.923 -4.528 1.00 65.34 H new ATOM 576 N GLY A 38 23.332 6.138 -5.307 1.00 4.02 N ATOM 577 CA GLY A 38 22.098 6.853 -5.571 1.00 14.33 C ATOM 578 C GLY A 38 20.875 5.965 -5.447 1.00 44.25 C ATOM 579 O GLY A 38 20.349 5.479 -6.449 1.00 14.44 O ATOM 0 H GLY A 38 23.233 5.126 -5.232 1.00 4.02 H new ATOM 0 HA2 GLY A 38 22.009 7.687 -4.875 1.00 14.33 H new ATOM 0 HA3 GLY A 38 22.135 7.277 -6.574 1.00 14.33 H new ATOM 583 N PHE A 39 20.424 5.751 -4.216 1.00 74.43 N ATOM 584 CA PHE A 39 19.257 4.912 -3.965 1.00 40.34 C ATOM 585 C PHE A 39 18.466 5.426 -2.766 1.00 23.34 C ATOM 586 O PHE A 39 19.017 5.617 -1.682 1.00 11.51 O ATOM 587 CB PHE A 39 19.686 3.463 -3.726 1.00 10.34 C ATOM 588 CG PHE A 39 20.061 2.733 -4.983 1.00 52.04 C ATOM 589 CD1 PHE A 39 19.259 2.812 -6.111 1.00 25.10 C ATOM 590 CD2 PHE A 39 21.214 1.967 -5.038 1.00 42.20 C ATOM 591 CE1 PHE A 39 19.602 2.141 -7.270 1.00 54.43 C ATOM 592 CE2 PHE A 39 21.562 1.295 -6.195 1.00 33.05 C ATOM 593 CZ PHE A 39 20.754 1.381 -7.312 1.00 12.14 C ATOM 0 H PHE A 39 20.848 6.146 -3.377 1.00 74.43 H new ATOM 0 HA PHE A 39 18.615 4.952 -4.845 1.00 40.34 H new ATOM 0 HB2 PHE A 39 20.535 3.452 -3.042 1.00 10.34 H new ATOM 0 HB3 PHE A 39 18.873 2.929 -3.234 1.00 10.34 H new ATOM 0 HD1 PHE A 39 18.356 3.404 -6.084 1.00 25.10 H new ATOM 0 HD2 PHE A 39 21.848 1.894 -4.167 1.00 42.20 H new ATOM 0 HE1 PHE A 39 18.969 2.211 -8.142 1.00 54.43 H new ATOM 0 HE2 PHE A 39 22.465 0.703 -6.225 1.00 33.05 H new ATOM 0 HZ PHE A 39 21.023 0.855 -8.216 1.00 12.14 H new ATOM 603 N ALA A 40 17.172 5.647 -2.969 1.00 34.34 N ATOM 604 CA ALA A 40 16.304 6.136 -1.904 1.00 42.34 C ATOM 605 C ALA A 40 15.037 5.295 -1.798 1.00 70.22 C ATOM 606 O ALA A 40 14.620 4.658 -2.766 1.00 33.13 O ATOM 607 CB ALA A 40 15.952 7.597 -2.141 1.00 55.42 C ATOM 0 H ALA A 40 16.701 5.495 -3.861 1.00 34.34 H new ATOM 0 HA ALA A 40 16.844 6.051 -0.961 1.00 42.34 H new ATOM 0 HB1 ALA A 40 15.304 7.950 -1.339 1.00 55.42 H new ATOM 0 HB2 ALA A 40 16.865 8.193 -2.159 1.00 55.42 H new ATOM 0 HB3 ALA A 40 15.435 7.697 -3.096 1.00 55.42 H new ATOM 613 N PHE A 41 14.429 5.296 -0.617 1.00 30.35 N ATOM 614 CA PHE A 41 13.210 4.531 -0.384 1.00 33.55 C ATOM 615 C PHE A 41 12.121 5.413 0.221 1.00 61.31 C ATOM 616 O PHE A 41 12.406 6.328 0.993 1.00 33.04 O ATOM 617 CB PHE A 41 13.495 3.346 0.542 1.00 14.24 C ATOM 618 CG PHE A 41 14.268 2.241 -0.119 1.00 11.14 C ATOM 619 CD1 PHE A 41 15.648 2.311 -0.225 1.00 75.24 C ATOM 620 CD2 PHE A 41 13.615 1.133 -0.634 1.00 31.24 C ATOM 621 CE1 PHE A 41 16.362 1.295 -0.833 1.00 2.42 C ATOM 622 CE2 PHE A 41 14.324 0.114 -1.242 1.00 3.35 C ATOM 623 CZ PHE A 41 15.699 0.196 -1.342 1.00 44.23 C ATOM 0 H PHE A 41 14.761 5.818 0.194 1.00 30.35 H new ATOM 0 HA PHE A 41 12.857 4.156 -1.345 1.00 33.55 H new ATOM 0 HB2 PHE A 41 14.052 3.699 1.410 1.00 14.24 H new ATOM 0 HB3 PHE A 41 12.550 2.947 0.910 1.00 14.24 H new ATOM 0 HD1 PHE A 41 16.171 3.168 0.172 1.00 75.24 H new ATOM 0 HD2 PHE A 41 12.540 1.065 -0.560 1.00 31.24 H new ATOM 0 HE1 PHE A 41 17.437 1.361 -0.910 1.00 2.42 H new ATOM 0 HE2 PHE A 41 13.803 -0.745 -1.638 1.00 3.35 H new ATOM 0 HZ PHE A 41 16.255 -0.598 -1.818 1.00 44.23 H new ATOM 633 N VAL A 42 10.872 5.131 -0.137 1.00 65.43 N ATOM 634 CA VAL A 42 9.740 5.897 0.369 1.00 22.02 C ATOM 635 C VAL A 42 8.561 4.986 0.694 1.00 44.43 C ATOM 636 O VAL A 42 8.400 3.925 0.092 1.00 45.44 O ATOM 637 CB VAL A 42 9.287 6.964 -0.644 1.00 55.34 C ATOM 638 CG1 VAL A 42 8.339 7.956 0.013 1.00 50.33 C ATOM 639 CG2 VAL A 42 10.490 7.679 -1.240 1.00 63.41 C ATOM 0 H VAL A 42 10.619 4.377 -0.776 1.00 65.43 H new ATOM 0 HA VAL A 42 10.075 6.392 1.281 1.00 22.02 H new ATOM 0 HB VAL A 42 8.752 6.467 -1.453 1.00 55.34 H new ATOM 0 HG11 VAL A 42 8.029 8.703 -0.718 1.00 50.33 H new ATOM 0 HG12 VAL A 42 7.461 7.428 0.386 1.00 50.33 H new ATOM 0 HG13 VAL A 42 8.846 8.449 0.842 1.00 50.33 H new ATOM 0 HG21 VAL A 42 10.150 8.430 -1.954 1.00 63.41 H new ATOM 0 HG22 VAL A 42 11.056 8.164 -0.445 1.00 63.41 H new ATOM 0 HG23 VAL A 42 11.127 6.956 -1.749 1.00 63.41 H new ATOM 649 N GLU A 43 7.739 5.409 1.649 1.00 5.22 N ATOM 650 CA GLU A 43 6.575 4.631 2.054 1.00 72.42 C ATOM 651 C GLU A 43 5.300 5.462 1.945 1.00 51.10 C ATOM 652 O GLU A 43 5.167 6.502 2.591 1.00 75.31 O ATOM 653 CB GLU A 43 6.745 4.124 3.487 1.00 24.34 C ATOM 654 CG GLU A 43 6.452 2.642 3.648 1.00 74.40 C ATOM 655 CD GLU A 43 7.711 1.799 3.699 1.00 4.30 C ATOM 656 OE1 GLU A 43 8.553 1.936 2.786 1.00 31.32 O ATOM 657 OE2 GLU A 43 7.856 1.004 4.651 1.00 71.03 O ATOM 0 H GLU A 43 7.858 6.286 2.156 1.00 5.22 H new ATOM 0 HA GLU A 43 6.490 3.777 1.382 1.00 72.42 H new ATOM 0 HB2 GLU A 43 7.766 4.321 3.814 1.00 24.34 H new ATOM 0 HB3 GLU A 43 6.084 4.690 4.144 1.00 24.34 H new ATOM 0 HG2 GLU A 43 5.878 2.486 4.562 1.00 74.40 H new ATOM 0 HG3 GLU A 43 5.829 2.307 2.819 1.00 74.40 H new ATOM 664 N PHE A 44 4.365 4.997 1.123 1.00 64.33 N ATOM 665 CA PHE A 44 3.102 5.697 0.927 1.00 15.31 C ATOM 666 C PHE A 44 2.008 5.102 1.809 1.00 12.33 C ATOM 667 O PHE A 44 1.702 3.914 1.720 1.00 64.25 O ATOM 668 CB PHE A 44 2.680 5.631 -0.542 1.00 55.31 C ATOM 669 CG PHE A 44 2.604 6.977 -1.205 1.00 61.01 C ATOM 670 CD1 PHE A 44 1.674 7.917 -0.791 1.00 70.21 C ATOM 671 CD2 PHE A 44 3.463 7.302 -2.243 1.00 30.13 C ATOM 672 CE1 PHE A 44 1.602 9.156 -1.399 1.00 1.22 C ATOM 673 CE2 PHE A 44 3.396 8.540 -2.854 1.00 21.32 C ATOM 674 CZ PHE A 44 2.464 9.468 -2.432 1.00 73.52 C ATOM 0 H PHE A 44 4.459 4.138 0.582 1.00 64.33 H new ATOM 0 HA PHE A 44 3.246 6.740 1.210 1.00 15.31 H new ATOM 0 HB2 PHE A 44 3.387 5.006 -1.087 1.00 55.31 H new ATOM 0 HB3 PHE A 44 1.706 5.146 -0.611 1.00 55.31 H new ATOM 0 HD1 PHE A 44 0.997 7.679 0.016 1.00 70.21 H new ATOM 0 HD2 PHE A 44 4.193 6.580 -2.578 1.00 30.13 H new ATOM 0 HE1 PHE A 44 0.872 9.880 -1.067 1.00 1.22 H new ATOM 0 HE2 PHE A 44 4.072 8.782 -3.661 1.00 21.32 H new ATOM 0 HZ PHE A 44 2.409 10.436 -2.909 1.00 73.52 H new ATOM 684 N GLU A 45 1.423 5.938 2.661 1.00 12.44 N ATOM 685 CA GLU A 45 0.364 5.495 3.561 1.00 63.22 C ATOM 686 C GLU A 45 -0.727 4.754 2.793 1.00 23.43 C ATOM 687 O GLU A 45 -1.344 3.824 3.313 1.00 11.03 O ATOM 688 CB GLU A 45 -0.240 6.689 4.302 1.00 41.43 C ATOM 689 CG GLU A 45 -0.857 6.326 5.642 1.00 64.11 C ATOM 690 CD GLU A 45 -1.481 7.519 6.340 1.00 61.34 C ATOM 691 OE1 GLU A 45 -1.371 8.643 5.807 1.00 74.32 O ATOM 692 OE2 GLU A 45 -2.079 7.327 7.419 1.00 14.50 O ATOM 0 H GLU A 45 1.664 6.925 2.747 1.00 12.44 H new ATOM 0 HA GLU A 45 0.802 4.811 4.287 1.00 63.22 H new ATOM 0 HB2 GLU A 45 0.536 7.438 4.460 1.00 41.43 H new ATOM 0 HB3 GLU A 45 -1.003 7.148 3.673 1.00 41.43 H new ATOM 0 HG2 GLU A 45 -1.617 5.559 5.492 1.00 64.11 H new ATOM 0 HG3 GLU A 45 -0.091 5.893 6.285 1.00 64.11 H new ATOM 699 N ASP A 46 -0.958 5.172 1.554 1.00 13.20 N ATOM 700 CA ASP A 46 -1.974 4.549 0.714 1.00 70.33 C ATOM 701 C ASP A 46 -1.332 3.795 -0.447 1.00 25.25 C ATOM 702 O ASP A 46 -0.309 4.206 -0.996 1.00 32.11 O ATOM 703 CB ASP A 46 -2.942 5.605 0.178 1.00 30.11 C ATOM 704 CG ASP A 46 -4.386 5.293 0.520 1.00 2.40 C ATOM 705 OD1 ASP A 46 -4.721 5.283 1.723 1.00 54.14 O ATOM 706 OD2 ASP A 46 -5.180 5.059 -0.415 1.00 70.11 O ATOM 0 H ASP A 46 -0.455 5.940 1.109 1.00 13.20 H new ATOM 0 HA ASP A 46 -2.528 3.837 1.325 1.00 70.33 H new ATOM 0 HB2 ASP A 46 -2.677 6.579 0.589 1.00 30.11 H new ATOM 0 HB3 ASP A 46 -2.835 5.676 -0.904 1.00 30.11 H new ATOM 711 N PRO A 47 -1.943 2.664 -0.829 1.00 30.12 N ATOM 712 CA PRO A 47 -1.448 1.828 -1.927 1.00 2.43 C ATOM 713 C PRO A 47 -1.619 2.497 -3.287 1.00 35.44 C ATOM 714 O PRO A 47 -0.681 2.559 -4.081 1.00 1.22 O ATOM 715 CB PRO A 47 -2.316 0.571 -1.835 1.00 51.13 C ATOM 716 CG PRO A 47 -3.571 1.025 -1.173 1.00 31.20 C ATOM 717 CD PRO A 47 -3.165 2.114 -0.219 1.00 33.01 C ATOM 0 HA PRO A 47 -0.379 1.631 -1.840 1.00 2.43 H new ATOM 0 HB2 PRO A 47 -2.517 0.156 -2.822 1.00 51.13 H new ATOM 0 HB3 PRO A 47 -1.823 -0.209 -1.255 1.00 51.13 H new ATOM 0 HG2 PRO A 47 -4.287 1.396 -1.906 1.00 31.20 H new ATOM 0 HG3 PRO A 47 -4.053 0.203 -0.644 1.00 31.20 H new ATOM 0 HD2 PRO A 47 -3.942 2.873 -0.121 1.00 33.01 H new ATOM 0 HD3 PRO A 47 -2.974 1.722 0.780 1.00 33.01 H new ATOM 725 N ARG A 48 -2.823 2.995 -3.548 1.00 74.11 N ATOM 726 CA ARG A 48 -3.118 3.658 -4.813 1.00 24.03 C ATOM 727 C ARG A 48 -2.218 4.874 -5.011 1.00 43.13 C ATOM 728 O ARG A 48 -1.821 5.188 -6.133 1.00 45.44 O ATOM 729 CB ARG A 48 -4.586 4.084 -4.860 1.00 72.32 C ATOM 730 CG ARG A 48 -4.940 4.916 -6.082 1.00 2.32 C ATOM 731 CD ARG A 48 -6.389 4.713 -6.494 1.00 33.10 C ATOM 732 NE ARG A 48 -7.312 4.955 -5.388 1.00 20.20 N ATOM 733 CZ ARG A 48 -8.632 5.003 -5.529 1.00 41.43 C ATOM 734 NH1 ARG A 48 -9.181 4.827 -6.723 1.00 51.21 N ATOM 735 NH2 ARG A 48 -9.405 5.228 -4.475 1.00 14.02 N ATOM 0 H ARG A 48 -3.610 2.952 -2.901 1.00 74.11 H new ATOM 0 HA ARG A 48 -2.927 2.950 -5.619 1.00 24.03 H new ATOM 0 HB2 ARG A 48 -5.215 3.194 -4.843 1.00 72.32 H new ATOM 0 HB3 ARG A 48 -4.818 4.656 -3.962 1.00 72.32 H new ATOM 0 HG2 ARG A 48 -4.766 5.971 -5.868 1.00 2.32 H new ATOM 0 HG3 ARG A 48 -4.284 4.646 -6.910 1.00 2.32 H new ATOM 0 HD2 ARG A 48 -6.628 5.384 -7.319 1.00 33.10 H new ATOM 0 HD3 ARG A 48 -6.522 3.695 -6.861 1.00 33.10 H new ATOM 0 HE ARG A 48 -6.921 5.095 -4.456 1.00 20.20 H new ATOM 0 HH11 ARG A 48 -8.590 4.654 -7.536 1.00 51.21 H new ATOM 0 HH12 ARG A 48 -10.195 4.864 -6.829 1.00 51.21 H new ATOM 0 HH21 ARG A 48 -8.986 5.364 -3.555 1.00 14.02 H new ATOM 0 HH22 ARG A 48 -10.418 5.265 -4.584 1.00 14.02 H new ATOM 749 N ASP A 49 -1.901 5.554 -3.915 1.00 3.10 N ATOM 750 CA ASP A 49 -1.047 6.735 -3.968 1.00 53.50 C ATOM 751 C ASP A 49 0.377 6.360 -4.366 1.00 33.22 C ATOM 752 O ASP A 49 1.053 7.108 -5.071 1.00 13.42 O ATOM 753 CB ASP A 49 -1.041 7.447 -2.614 1.00 50.54 C ATOM 754 CG ASP A 49 -2.437 7.795 -2.136 1.00 72.53 C ATOM 755 OD1 ASP A 49 -3.392 7.628 -2.923 1.00 61.25 O ATOM 756 OD2 ASP A 49 -2.575 8.234 -0.975 1.00 71.41 O ATOM 0 H ASP A 49 -2.223 5.308 -2.979 1.00 3.10 H new ATOM 0 HA ASP A 49 -1.449 7.410 -4.723 1.00 53.50 H new ATOM 0 HB2 ASP A 49 -0.555 6.811 -1.874 1.00 50.54 H new ATOM 0 HB3 ASP A 49 -0.448 8.359 -2.689 1.00 50.54 H new ATOM 761 N ALA A 50 0.826 5.196 -3.908 1.00 20.12 N ATOM 762 CA ALA A 50 2.169 4.721 -4.216 1.00 71.45 C ATOM 763 C ALA A 50 2.277 4.290 -5.675 1.00 60.13 C ATOM 764 O ALA A 50 3.230 4.645 -6.367 1.00 44.43 O ATOM 765 CB ALA A 50 2.546 3.570 -3.295 1.00 43.02 C ATOM 0 H ALA A 50 0.279 4.565 -3.322 1.00 20.12 H new ATOM 0 HA ALA A 50 2.865 5.544 -4.054 1.00 71.45 H new ATOM 0 HB1 ALA A 50 3.551 3.225 -3.536 1.00 43.02 H new ATOM 0 HB2 ALA A 50 2.517 3.908 -2.259 1.00 43.02 H new ATOM 0 HB3 ALA A 50 1.840 2.751 -3.429 1.00 43.02 H new ATOM 771 N GLU A 51 1.294 3.522 -6.135 1.00 41.24 N ATOM 772 CA GLU A 51 1.281 3.042 -7.512 1.00 41.43 C ATOM 773 C GLU A 51 1.237 4.209 -8.495 1.00 2.22 C ATOM 774 O GLU A 51 2.008 4.257 -9.453 1.00 64.13 O ATOM 775 CB GLU A 51 0.081 2.121 -7.744 1.00 4.34 C ATOM 776 CG GLU A 51 0.442 0.811 -8.424 1.00 50.40 C ATOM 777 CD GLU A 51 -0.766 -0.072 -8.667 1.00 14.13 C ATOM 778 OE1 GLU A 51 -1.527 0.212 -9.616 1.00 0.12 O ATOM 779 OE2 GLU A 51 -0.952 -1.046 -7.908 1.00 62.32 O ATOM 0 H GLU A 51 0.497 3.219 -5.575 1.00 41.24 H new ATOM 0 HA GLU A 51 2.199 2.480 -7.682 1.00 41.43 H new ATOM 0 HB2 GLU A 51 -0.391 1.905 -6.786 1.00 4.34 H new ATOM 0 HB3 GLU A 51 -0.656 2.645 -8.352 1.00 4.34 H new ATOM 0 HG2 GLU A 51 0.930 1.022 -9.375 1.00 50.40 H new ATOM 0 HG3 GLU A 51 1.163 0.273 -7.808 1.00 50.40 H new ATOM 786 N ASP A 52 0.330 5.148 -8.249 1.00 75.42 N ATOM 787 CA ASP A 52 0.184 6.315 -9.111 1.00 63.00 C ATOM 788 C ASP A 52 1.419 7.207 -9.030 1.00 11.43 C ATOM 789 O ASP A 52 1.896 7.718 -10.043 1.00 34.21 O ATOM 790 CB ASP A 52 -1.062 7.111 -8.721 1.00 52.15 C ATOM 791 CG ASP A 52 -2.346 6.388 -9.078 1.00 60.14 C ATOM 792 OD1 ASP A 52 -2.270 5.209 -9.485 1.00 11.22 O ATOM 793 OD2 ASP A 52 -3.427 7.000 -8.950 1.00 44.24 O ATOM 0 H ASP A 52 -0.315 5.124 -7.459 1.00 75.42 H new ATOM 0 HA ASP A 52 0.076 5.967 -10.138 1.00 63.00 H new ATOM 0 HB2 ASP A 52 -1.044 7.306 -7.649 1.00 52.15 H new ATOM 0 HB3 ASP A 52 -1.042 8.079 -9.221 1.00 52.15 H new ATOM 798 N ALA A 53 1.931 7.392 -7.817 1.00 72.32 N ATOM 799 CA ALA A 53 3.110 8.221 -7.604 1.00 10.42 C ATOM 800 C ALA A 53 4.279 7.745 -8.460 1.00 14.20 C ATOM 801 O ALA A 53 4.919 8.538 -9.150 1.00 43.12 O ATOM 802 CB ALA A 53 3.497 8.221 -6.132 1.00 74.23 C ATOM 0 H ALA A 53 1.547 6.978 -6.967 1.00 72.32 H new ATOM 0 HA ALA A 53 2.865 9.240 -7.904 1.00 10.42 H new ATOM 0 HB1 ALA A 53 4.379 8.844 -5.988 1.00 74.23 H new ATOM 0 HB2 ALA A 53 2.672 8.617 -5.539 1.00 74.23 H new ATOM 0 HB3 ALA A 53 3.717 7.202 -5.814 1.00 74.23 H new ATOM 808 N VAL A 54 4.552 6.445 -8.410 1.00 54.21 N ATOM 809 CA VAL A 54 5.643 5.863 -9.182 1.00 4.24 C ATOM 810 C VAL A 54 5.371 5.960 -10.678 1.00 42.25 C ATOM 811 O VAL A 54 6.230 6.389 -11.449 1.00 61.44 O ATOM 812 CB VAL A 54 5.871 4.387 -8.807 1.00 35.41 C ATOM 813 CG1 VAL A 54 6.975 3.783 -9.661 1.00 20.33 C ATOM 814 CG2 VAL A 54 6.198 4.257 -7.327 1.00 43.30 C ATOM 0 H VAL A 54 4.032 5.775 -7.843 1.00 54.21 H new ATOM 0 HA VAL A 54 6.540 6.434 -8.942 1.00 4.24 H new ATOM 0 HB VAL A 54 4.951 3.835 -9.002 1.00 35.41 H new ATOM 0 HG11 VAL A 54 7.122 2.740 -9.381 1.00 20.33 H new ATOM 0 HG12 VAL A 54 6.694 3.841 -10.713 1.00 20.33 H new ATOM 0 HG13 VAL A 54 7.901 4.335 -9.502 1.00 20.33 H new ATOM 0 HG21 VAL A 54 6.356 3.207 -7.080 1.00 43.30 H new ATOM 0 HG22 VAL A 54 7.103 4.822 -7.103 1.00 43.30 H new ATOM 0 HG23 VAL A 54 5.370 4.648 -6.736 1.00 43.30 H new ATOM 824 N ARG A 55 4.170 5.560 -11.083 1.00 62.01 N ATOM 825 CA ARG A 55 3.785 5.601 -12.488 1.00 54.15 C ATOM 826 C ARG A 55 4.093 6.966 -13.097 1.00 54.01 C ATOM 827 O ARG A 55 4.638 7.058 -14.196 1.00 54.31 O ATOM 828 CB ARG A 55 2.295 5.288 -12.640 1.00 31.31 C ATOM 829 CG ARG A 55 2.006 3.820 -12.910 1.00 54.23 C ATOM 830 CD ARG A 55 0.533 3.497 -12.712 1.00 30.00 C ATOM 831 NE ARG A 55 0.172 2.208 -13.295 1.00 63.44 N ATOM 832 CZ ARG A 55 -1.050 1.690 -13.236 1.00 3.12 C ATOM 833 NH1 ARG A 55 -2.023 2.349 -12.622 1.00 51.14 N ATOM 834 NH2 ARG A 55 -1.300 0.511 -13.791 1.00 10.21 N ATOM 0 H ARG A 55 3.447 5.204 -10.458 1.00 62.01 H new ATOM 0 HA ARG A 55 4.364 4.846 -13.019 1.00 54.15 H new ATOM 0 HB2 ARG A 55 1.774 5.591 -11.732 1.00 31.31 H new ATOM 0 HB3 ARG A 55 1.888 5.886 -13.456 1.00 31.31 H new ATOM 0 HG2 ARG A 55 2.300 3.572 -13.930 1.00 54.23 H new ATOM 0 HG3 ARG A 55 2.608 3.201 -12.245 1.00 54.23 H new ATOM 0 HD2 ARG A 55 0.304 3.490 -11.646 1.00 30.00 H new ATOM 0 HD3 ARG A 55 -0.074 4.282 -13.163 1.00 30.00 H new ATOM 0 HE ARG A 55 0.898 1.676 -13.774 1.00 63.44 H new ATOM 0 HH11 ARG A 55 -1.834 3.255 -12.194 1.00 51.14 H new ATOM 0 HH12 ARG A 55 -2.961 1.950 -12.578 1.00 51.14 H new ATOM 0 HH21 ARG A 55 -0.554 0.001 -14.264 1.00 10.21 H new ATOM 0 HH22 ARG A 55 -2.239 0.114 -13.745 1.00 10.21 H new ATOM 848 N GLY A 56 3.739 8.024 -12.374 1.00 12.40 N ATOM 849 CA GLY A 56 3.985 9.370 -12.859 1.00 34.11 C ATOM 850 C GLY A 56 5.426 9.799 -12.672 1.00 64.05 C ATOM 851 O GLY A 56 6.051 10.320 -13.597 1.00 45.31 O ATOM 0 H GLY A 56 3.286 7.973 -11.461 1.00 12.40 H new ATOM 0 HA2 GLY A 56 3.727 9.425 -13.917 1.00 34.11 H new ATOM 0 HA3 GLY A 56 3.331 10.067 -12.335 1.00 34.11 H new ATOM 855 N LEU A 57 5.956 9.582 -11.474 1.00 23.31 N ATOM 856 CA LEU A 57 7.334 9.951 -11.168 1.00 40.10 C ATOM 857 C LEU A 57 8.288 9.431 -12.239 1.00 13.41 C ATOM 858 O LEU A 57 9.109 10.180 -12.770 1.00 34.05 O ATOM 859 CB LEU A 57 7.738 9.402 -9.799 1.00 22.42 C ATOM 860 CG LEU A 57 7.519 10.337 -8.609 1.00 32.40 C ATOM 861 CD1 LEU A 57 8.758 11.181 -8.358 1.00 43.44 C ATOM 862 CD2 LEU A 57 6.305 11.224 -8.845 1.00 21.25 C ATOM 0 H LEU A 57 5.453 9.152 -10.698 1.00 23.31 H new ATOM 0 HA LEU A 57 7.397 11.039 -11.149 1.00 40.10 H new ATOM 0 HB2 LEU A 57 7.181 8.482 -9.620 1.00 22.42 H new ATOM 0 HB3 LEU A 57 8.794 9.133 -9.835 1.00 22.42 H new ATOM 0 HG LEU A 57 7.334 9.730 -7.723 1.00 32.40 H new ATOM 0 HD11 LEU A 57 8.583 11.840 -7.508 1.00 43.44 H new ATOM 0 HD12 LEU A 57 9.605 10.529 -8.144 1.00 43.44 H new ATOM 0 HD13 LEU A 57 8.976 11.780 -9.242 1.00 43.44 H new ATOM 0 HD21 LEU A 57 6.164 11.883 -7.988 1.00 21.25 H new ATOM 0 HD22 LEU A 57 6.461 11.823 -9.742 1.00 21.25 H new ATOM 0 HD23 LEU A 57 5.419 10.602 -8.974 1.00 21.25 H new ATOM 874 N ASP A 58 8.172 8.146 -12.553 1.00 61.11 N ATOM 875 CA ASP A 58 9.022 7.526 -13.564 1.00 12.35 C ATOM 876 C ASP A 58 8.427 7.705 -14.957 1.00 62.51 C ATOM 877 O ASP A 58 9.144 7.682 -15.956 1.00 43.35 O ATOM 878 CB ASP A 58 9.208 6.039 -13.261 1.00 60.44 C ATOM 879 CG ASP A 58 8.147 5.177 -13.918 1.00 1.21 C ATOM 880 OD1 ASP A 58 8.261 4.921 -15.135 1.00 32.04 O ATOM 881 OD2 ASP A 58 7.203 4.760 -13.215 1.00 55.11 O ATOM 0 H ASP A 58 7.498 7.513 -12.123 1.00 61.11 H new ATOM 0 HA ASP A 58 9.994 8.018 -13.539 1.00 12.35 H new ATOM 0 HB2 ASP A 58 10.193 5.722 -13.603 1.00 60.44 H new ATOM 0 HB3 ASP A 58 9.181 5.885 -12.182 1.00 60.44 H new ATOM 886 N GLY A 59 7.111 7.880 -15.015 1.00 55.43 N ATOM 887 CA GLY A 59 6.442 8.058 -16.291 1.00 14.41 C ATOM 888 C GLY A 59 6.703 9.423 -16.897 1.00 13.11 C ATOM 889 O GLY A 59 6.464 9.639 -18.085 1.00 41.32 O ATOM 0 H GLY A 59 6.496 7.902 -14.202 1.00 55.43 H new ATOM 0 HA2 GLY A 59 6.777 7.286 -16.984 1.00 14.41 H new ATOM 0 HA3 GLY A 59 5.369 7.922 -16.157 1.00 14.41 H new ATOM 893 N LYS A 60 7.193 10.348 -16.079 1.00 11.14 N ATOM 894 CA LYS A 60 7.487 11.700 -16.539 1.00 75.15 C ATOM 895 C LYS A 60 8.437 12.408 -15.579 1.00 63.43 C ATOM 896 O LYS A 60 8.182 12.480 -14.377 1.00 74.42 O ATOM 897 CB LYS A 60 6.193 12.505 -16.679 1.00 51.43 C ATOM 898 CG LYS A 60 5.985 13.086 -18.068 1.00 33.35 C ATOM 899 CD LYS A 60 7.120 14.018 -18.458 1.00 75.53 C ATOM 900 CE LYS A 60 7.164 15.247 -17.564 1.00 52.34 C ATOM 901 NZ LYS A 60 7.070 16.508 -18.351 1.00 13.41 N ATOM 0 H LYS A 60 7.395 10.186 -15.093 1.00 11.14 H new ATOM 0 HA LYS A 60 7.971 11.628 -17.513 1.00 75.15 H new ATOM 0 HB2 LYS A 60 5.347 11.863 -16.432 1.00 51.43 H new ATOM 0 HB3 LYS A 60 6.200 13.317 -15.952 1.00 51.43 H new ATOM 0 HG2 LYS A 60 5.911 12.277 -18.795 1.00 33.35 H new ATOM 0 HG3 LYS A 60 5.040 13.629 -18.099 1.00 33.35 H new ATOM 0 HD2 LYS A 60 8.069 13.485 -18.393 1.00 75.53 H new ATOM 0 HD3 LYS A 60 6.999 14.326 -19.496 1.00 75.53 H new ATOM 0 HE2 LYS A 60 6.344 15.204 -16.847 1.00 52.34 H new ATOM 0 HE3 LYS A 60 8.090 15.245 -16.990 1.00 52.34 H new ATOM 0 HZ1 LYS A 60 7.103 17.323 -17.706 1.00 13.41 H new ATOM 0 HZ2 LYS A 60 7.866 16.561 -19.018 1.00 13.41 H new ATOM 0 HZ3 LYS A 60 6.174 16.521 -18.880 1.00 13.41 H new ATOM 915 N VAL A 61 9.534 12.930 -16.118 1.00 5.22 N ATOM 916 CA VAL A 61 10.522 13.635 -15.309 1.00 60.30 C ATOM 917 C VAL A 61 9.854 14.647 -14.385 1.00 45.11 C ATOM 918 O VAL A 61 8.874 15.292 -14.759 1.00 63.21 O ATOM 919 CB VAL A 61 11.553 14.363 -16.191 1.00 43.21 C ATOM 920 CG1 VAL A 61 12.528 15.153 -15.331 1.00 45.05 C ATOM 921 CG2 VAL A 61 12.293 13.371 -17.076 1.00 34.11 C ATOM 0 H VAL A 61 9.761 12.878 -17.111 1.00 5.22 H new ATOM 0 HA VAL A 61 11.035 12.883 -14.709 1.00 60.30 H new ATOM 0 HB VAL A 61 11.023 15.064 -16.835 1.00 43.21 H new ATOM 0 HG11 VAL A 61 13.249 15.661 -15.971 1.00 45.05 H new ATOM 0 HG12 VAL A 61 11.981 15.891 -14.745 1.00 45.05 H new ATOM 0 HG13 VAL A 61 13.054 14.474 -14.660 1.00 45.05 H new ATOM 0 HG21 VAL A 61 13.017 13.903 -17.692 1.00 34.11 H new ATOM 0 HG22 VAL A 61 12.812 12.644 -16.452 1.00 34.11 H new ATOM 0 HG23 VAL A 61 11.580 12.854 -17.719 1.00 34.11 H new ATOM 931 N ILE A 62 10.392 14.782 -13.177 1.00 71.24 N ATOM 932 CA ILE A 62 9.849 15.717 -12.200 1.00 50.33 C ATOM 933 C ILE A 62 10.852 16.820 -11.879 1.00 12.21 C ATOM 934 O ILE A 62 11.914 16.561 -11.312 1.00 11.44 O ATOM 935 CB ILE A 62 9.454 15.002 -10.895 1.00 31.21 C ATOM 936 CG1 ILE A 62 9.003 16.020 -9.846 1.00 14.10 C ATOM 937 CG2 ILE A 62 10.618 14.174 -10.371 1.00 43.42 C ATOM 938 CD1 ILE A 62 7.844 16.881 -10.299 1.00 33.54 C ATOM 0 H ILE A 62 11.203 14.256 -12.852 1.00 71.24 H new ATOM 0 HA ILE A 62 8.958 16.158 -12.647 1.00 50.33 H new ATOM 0 HB ILE A 62 8.621 14.331 -11.104 1.00 31.21 H new ATOM 0 HG12 ILE A 62 8.718 15.491 -8.937 1.00 14.10 H new ATOM 0 HG13 ILE A 62 9.845 16.663 -9.590 1.00 14.10 H new ATOM 0 HG21 ILE A 62 10.323 13.675 -9.448 1.00 43.42 H new ATOM 0 HG22 ILE A 62 10.897 13.427 -11.114 1.00 43.42 H new ATOM 0 HG23 ILE A 62 11.469 14.826 -10.175 1.00 43.42 H new ATOM 0 HD11 ILE A 62 7.578 17.579 -9.506 1.00 33.54 H new ATOM 0 HD12 ILE A 62 8.131 17.438 -11.191 1.00 33.54 H new ATOM 0 HD13 ILE A 62 6.987 16.247 -10.527 1.00 33.54 H new ATOM 950 N CYS A 63 10.507 18.050 -12.243 1.00 50.13 N ATOM 951 CA CYS A 63 11.377 19.194 -11.993 1.00 32.11 C ATOM 952 C CYS A 63 12.799 18.908 -12.463 1.00 4.33 C ATOM 953 O CYS A 63 13.759 19.083 -11.712 1.00 73.25 O ATOM 954 CB CYS A 63 11.379 19.543 -10.504 1.00 12.11 C ATOM 955 SG CYS A 63 11.808 21.263 -10.150 1.00 1.42 S ATOM 0 H CYS A 63 9.631 18.281 -12.712 1.00 50.13 H new ATOM 0 HA CYS A 63 10.991 20.043 -12.557 1.00 32.11 H new ATOM 0 HB2 CYS A 63 10.392 19.334 -10.091 1.00 12.11 H new ATOM 0 HB3 CYS A 63 12.085 18.890 -9.990 1.00 12.11 H new ATOM 0 HG CYS A 63 11.781 21.462 -8.866 1.00 1.42 H new ATOM 961 N GLY A 64 12.928 18.466 -13.710 1.00 52.11 N ATOM 962 CA GLY A 64 14.237 18.161 -14.258 1.00 54.31 C ATOM 963 C GLY A 64 14.916 17.016 -13.534 1.00 31.00 C ATOM 964 O GLY A 64 16.144 16.943 -13.487 1.00 52.51 O ATOM 0 H GLY A 64 12.149 18.314 -14.351 1.00 52.11 H new ATOM 0 HA2 GLY A 64 14.136 17.910 -15.314 1.00 54.31 H new ATOM 0 HA3 GLY A 64 14.867 19.048 -14.200 1.00 54.31 H new ATOM 968 N SER A 65 14.116 16.119 -12.966 1.00 52.22 N ATOM 969 CA SER A 65 14.647 14.974 -12.236 1.00 3.52 C ATOM 970 C SER A 65 14.067 13.670 -12.773 1.00 73.02 C ATOM 971 O SER A 65 12.977 13.254 -12.379 1.00 24.41 O ATOM 972 CB SER A 65 14.338 15.107 -10.743 1.00 61.23 C ATOM 973 OG SER A 65 15.108 14.194 -9.980 1.00 42.41 O ATOM 0 H SER A 65 13.097 16.163 -12.997 1.00 52.22 H new ATOM 0 HA SER A 65 15.728 14.955 -12.376 1.00 3.52 H new ATOM 0 HB2 SER A 65 14.545 16.126 -10.415 1.00 61.23 H new ATOM 0 HB3 SER A 65 13.277 14.926 -10.570 1.00 61.23 H new ATOM 0 HG SER A 65 14.555 13.820 -9.263 1.00 42.41 H new ATOM 979 N ARG A 66 14.803 13.030 -13.676 1.00 74.10 N ATOM 980 CA ARG A 66 14.361 11.773 -14.269 1.00 44.44 C ATOM 981 C ARG A 66 14.801 10.586 -13.418 1.00 12.04 C ATOM 982 O ARG A 66 15.370 9.620 -13.926 1.00 44.44 O ATOM 983 CB ARG A 66 14.918 11.631 -15.687 1.00 52.23 C ATOM 984 CG ARG A 66 16.436 11.595 -15.745 1.00 2.21 C ATOM 985 CD ARG A 66 16.999 12.848 -16.399 1.00 32.44 C ATOM 986 NE ARG A 66 18.308 13.206 -15.859 1.00 71.32 N ATOM 987 CZ ARG A 66 19.116 14.096 -16.423 1.00 5.20 C ATOM 988 NH1 ARG A 66 18.752 14.716 -17.537 1.00 13.12 N ATOM 989 NH2 ARG A 66 20.293 14.369 -15.872 1.00 75.51 N ATOM 0 H ARG A 66 15.707 13.361 -14.013 1.00 74.10 H new ATOM 0 HA ARG A 66 13.272 11.783 -14.312 1.00 44.44 H new ATOM 0 HB2 ARG A 66 14.524 10.718 -16.133 1.00 52.23 H new ATOM 0 HB3 ARG A 66 14.559 12.462 -16.294 1.00 52.23 H new ATOM 0 HG2 ARG A 66 16.837 11.498 -14.736 1.00 2.21 H new ATOM 0 HG3 ARG A 66 16.759 10.716 -16.302 1.00 2.21 H new ATOM 0 HD2 ARG A 66 17.081 12.690 -17.474 1.00 32.44 H new ATOM 0 HD3 ARG A 66 16.307 13.677 -16.251 1.00 32.44 H new ATOM 0 HE ARG A 66 18.618 12.748 -15.002 1.00 71.32 H new ATOM 0 HH11 ARG A 66 17.849 14.510 -17.964 1.00 13.12 H new ATOM 0 HH12 ARG A 66 19.375 15.399 -17.967 1.00 13.12 H new ATOM 0 HH21 ARG A 66 20.577 13.895 -15.015 1.00 75.51 H new ATOM 0 HH22 ARG A 66 20.913 15.053 -16.306 1.00 75.51 H new ATOM 1003 N VAL A 67 14.533 10.665 -12.118 1.00 53.11 N ATOM 1004 CA VAL A 67 14.900 9.597 -11.195 1.00 55.44 C ATOM 1005 C VAL A 67 14.186 8.297 -11.548 1.00 64.03 C ATOM 1006 O VAL A 67 13.203 8.298 -12.289 1.00 30.41 O ATOM 1007 CB VAL A 67 14.566 9.974 -9.740 1.00 1.33 C ATOM 1008 CG1 VAL A 67 15.517 11.049 -9.235 1.00 53.11 C ATOM 1009 CG2 VAL A 67 13.120 10.434 -9.627 1.00 23.24 C ATOM 0 H VAL A 67 14.063 11.457 -11.680 1.00 53.11 H new ATOM 0 HA VAL A 67 15.977 9.454 -11.288 1.00 55.44 H new ATOM 0 HB VAL A 67 14.691 9.089 -9.116 1.00 1.33 H new ATOM 0 HG11 VAL A 67 15.266 11.303 -8.205 1.00 53.11 H new ATOM 0 HG12 VAL A 67 16.541 10.678 -9.278 1.00 53.11 H new ATOM 0 HG13 VAL A 67 15.427 11.938 -9.860 1.00 53.11 H new ATOM 0 HG21 VAL A 67 12.901 10.696 -8.592 1.00 23.24 H new ATOM 0 HG22 VAL A 67 12.965 11.306 -10.263 1.00 23.24 H new ATOM 0 HG23 VAL A 67 12.456 9.630 -9.945 1.00 23.24 H new ATOM 1019 N ARG A 68 14.688 7.189 -11.013 1.00 5.12 N ATOM 1020 CA ARG A 68 14.100 5.881 -11.272 1.00 32.34 C ATOM 1021 C ARG A 68 13.386 5.351 -10.031 1.00 70.35 C ATOM 1022 O ARG A 68 14.024 4.898 -9.081 1.00 0.43 O ATOM 1023 CB ARG A 68 15.179 4.891 -11.714 1.00 71.22 C ATOM 1024 CG ARG A 68 14.857 4.182 -13.020 1.00 10.32 C ATOM 1025 CD ARG A 68 13.650 3.269 -12.875 1.00 21.41 C ATOM 1026 NE ARG A 68 14.021 1.947 -12.376 1.00 11.13 N ATOM 1027 CZ ARG A 68 14.659 1.039 -13.105 1.00 22.42 C ATOM 1028 NH1 ARG A 68 14.996 1.307 -14.359 1.00 3.44 N ATOM 1029 NH2 ARG A 68 14.962 -0.142 -12.580 1.00 2.23 N ATOM 0 H ARG A 68 15.501 7.171 -10.397 1.00 5.12 H new ATOM 0 HA ARG A 68 13.368 5.991 -12.072 1.00 32.34 H new ATOM 0 HB2 ARG A 68 16.125 5.422 -11.822 1.00 71.22 H new ATOM 0 HB3 ARG A 68 15.319 4.146 -10.931 1.00 71.22 H new ATOM 0 HG2 ARG A 68 14.665 4.920 -13.798 1.00 10.32 H new ATOM 0 HG3 ARG A 68 15.720 3.598 -13.341 1.00 10.32 H new ATOM 0 HD2 ARG A 68 12.930 3.725 -12.195 1.00 21.41 H new ATOM 0 HD3 ARG A 68 13.155 3.166 -13.841 1.00 21.41 H new ATOM 0 HE ARG A 68 13.777 1.708 -11.415 1.00 11.13 H new ATOM 0 HH11 ARG A 68 14.765 2.213 -14.767 1.00 3.44 H new ATOM 0 HH12 ARG A 68 15.486 0.607 -14.916 1.00 3.44 H new ATOM 0 HH21 ARG A 68 14.705 -0.353 -11.616 1.00 2.23 H new ATOM 0 HH22 ARG A 68 15.452 -0.839 -13.141 1.00 2.23 H new ATOM 1043 N VAL A 69 12.058 5.410 -10.048 1.00 41.43 N ATOM 1044 CA VAL A 69 11.257 4.936 -8.926 1.00 43.30 C ATOM 1045 C VAL A 69 10.529 3.644 -9.278 1.00 12.12 C ATOM 1046 O VAL A 69 10.089 3.457 -10.412 1.00 5.31 O ATOM 1047 CB VAL A 69 10.225 5.992 -8.488 1.00 33.22 C ATOM 1048 CG1 VAL A 69 9.389 6.446 -9.675 1.00 12.25 C ATOM 1049 CG2 VAL A 69 9.339 5.442 -7.380 1.00 74.13 C ATOM 0 H VAL A 69 11.514 5.782 -10.827 1.00 41.43 H new ATOM 0 HA VAL A 69 11.945 4.748 -8.102 1.00 43.30 H new ATOM 0 HB VAL A 69 10.759 6.858 -8.099 1.00 33.22 H new ATOM 0 HG11 VAL A 69 8.665 7.192 -9.346 1.00 12.25 H new ATOM 0 HG12 VAL A 69 10.040 6.881 -10.433 1.00 12.25 H new ATOM 0 HG13 VAL A 69 8.862 5.590 -10.097 1.00 12.25 H new ATOM 0 HG21 VAL A 69 8.615 6.201 -7.082 1.00 74.13 H new ATOM 0 HG22 VAL A 69 8.811 4.559 -7.741 1.00 74.13 H new ATOM 0 HG23 VAL A 69 9.955 5.171 -6.522 1.00 74.13 H new ATOM 1059 N GLU A 70 10.404 2.755 -8.297 1.00 44.30 N ATOM 1060 CA GLU A 70 9.729 1.480 -8.504 1.00 72.21 C ATOM 1061 C GLU A 70 8.889 1.105 -7.286 1.00 70.14 C ATOM 1062 O GLU A 70 9.035 1.691 -6.213 1.00 11.11 O ATOM 1063 CB GLU A 70 10.750 0.377 -8.792 1.00 1.31 C ATOM 1064 CG GLU A 70 10.453 -0.413 -10.055 1.00 42.34 C ATOM 1065 CD GLU A 70 11.219 -1.720 -10.120 1.00 2.23 C ATOM 1066 OE1 GLU A 70 10.983 -2.588 -9.254 1.00 73.51 O ATOM 1067 OE2 GLU A 70 12.055 -1.874 -11.035 1.00 32.03 O ATOM 0 H GLU A 70 10.761 2.895 -7.352 1.00 44.30 H new ATOM 0 HA GLU A 70 9.066 1.585 -9.363 1.00 72.21 H new ATOM 0 HB2 GLU A 70 11.740 0.824 -8.878 1.00 1.31 H new ATOM 0 HB3 GLU A 70 10.781 -0.308 -7.944 1.00 1.31 H new ATOM 0 HG2 GLU A 70 9.384 -0.620 -10.107 1.00 42.34 H new ATOM 0 HG3 GLU A 70 10.703 0.194 -10.926 1.00 42.34 H new ATOM 1074 N LEU A 71 8.009 0.125 -7.461 1.00 42.11 N ATOM 1075 CA LEU A 71 7.145 -0.329 -6.377 1.00 55.04 C ATOM 1076 C LEU A 71 7.577 -1.702 -5.875 1.00 22.55 C ATOM 1077 O LEU A 71 7.501 -2.693 -6.602 1.00 4.14 O ATOM 1078 CB LEU A 71 5.690 -0.380 -6.847 1.00 35.22 C ATOM 1079 CG LEU A 71 4.637 0.036 -5.818 1.00 44.44 C ATOM 1080 CD1 LEU A 71 4.781 1.511 -5.475 1.00 23.11 C ATOM 1081 CD2 LEU A 71 3.238 -0.258 -6.338 1.00 52.11 C ATOM 0 H LEU A 71 7.875 -0.370 -8.343 1.00 42.11 H new ATOM 0 HA LEU A 71 7.231 0.381 -5.555 1.00 55.04 H new ATOM 0 HB2 LEU A 71 5.589 0.263 -7.721 1.00 35.22 H new ATOM 0 HB3 LEU A 71 5.470 -1.397 -7.172 1.00 35.22 H new ATOM 0 HG LEU A 71 4.795 -0.545 -4.909 1.00 44.44 H new ATOM 0 HD11 LEU A 71 4.024 1.790 -4.742 1.00 23.11 H new ATOM 0 HD12 LEU A 71 5.772 1.693 -5.060 1.00 23.11 H new ATOM 0 HD13 LEU A 71 4.650 2.109 -6.377 1.00 23.11 H new ATOM 0 HD21 LEU A 71 2.502 0.044 -5.593 1.00 52.11 H new ATOM 0 HD22 LEU A 71 3.069 0.297 -7.261 1.00 52.11 H new ATOM 0 HD23 LEU A 71 3.139 -1.326 -6.533 1.00 52.11 H new ATOM 1093 N SER A 72 8.029 -1.754 -4.626 1.00 21.44 N ATOM 1094 CA SER A 72 8.475 -3.006 -4.026 1.00 23.34 C ATOM 1095 C SER A 72 7.342 -4.028 -3.994 1.00 5.31 C ATOM 1096 O SER A 72 7.579 -5.236 -4.015 1.00 33.34 O ATOM 1097 CB SER A 72 8.995 -2.760 -2.608 1.00 21.21 C ATOM 1098 OG SER A 72 10.186 -3.489 -2.368 1.00 23.13 O ATOM 0 H SER A 72 8.096 -0.944 -4.010 1.00 21.44 H new ATOM 0 HA SER A 72 9.284 -3.405 -4.638 1.00 23.34 H new ATOM 0 HB2 SER A 72 9.181 -1.696 -2.465 1.00 21.21 H new ATOM 0 HB3 SER A 72 8.235 -3.051 -1.883 1.00 21.21 H new ATOM 0 HG SER A 72 10.499 -3.313 -1.456 1.00 23.13 H new