USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 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 92 THR OG1 : rot -175:sc= 1.2 USER MOD Set 1.2: A 98 THR OG1 : rot -140:sc= 1.08 USER MOD Set 2.1: A 66 THR OG1 : rot -170:sc= 0 USER MOD Set 2.2: A 68 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Set 3.1: A 60 ASN : amide:sc= -0.184 X(o=-0.67,f=-0.54) USER MOD Set 3.2: A 63 HIS : no HE2:sc= -0.482 K(o=-0.67,f=-2.8) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0551 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.844 X(o=-0.84,f=-0.84) USER MOD Single : A 51 ASN : amide:sc= -0.0716 K(o=-0.072,f=-2.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0835 USER MOD Single : A 69 MET CE :methyl 166:sc= -0.0196 (180deg=-0.22) USER MOD Single : A 72 THR OG1 : rot 60:sc= 1.2 USER MOD Single : A 74 GLN : amide:sc= 0.732 K(o=0.73,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.0608 X(o=-0.061,f=-0.52) USER MOD Single : A 79 ASN : amide:sc= 0.594 K(o=0.59,f=-0.048) USER MOD Single : A 81 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-7!) USER MOD Single : A 84 GLN : amide:sc= -0.318 K(o=-0.32,f=-4.8!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 4:sc= 1.04 USER MOD Single : A 91 ASN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 47.748 2.908 -23.708 1.00 3.21 N ATOM 2 CA GLY A 41 48.975 3.524 -23.171 1.00 74.42 C ATOM 3 C GLY A 41 49.065 3.243 -21.682 1.00 4.11 C ATOM 4 O GLY A 41 48.188 2.559 -21.161 1.00 1.44 O ATOM 0 HA2 GLY A 41 49.851 3.124 -23.682 1.00 74.42 H new ATOM 0 HA3 GLY A 41 48.965 4.599 -23.350 1.00 74.42 H new ATOM 8 N ALA A 42 50.145 3.681 -21.029 1.00 1.13 N ATOM 9 CA ALA A 42 50.317 3.487 -19.593 1.00 51.15 C ATOM 10 C ALA A 42 49.409 4.472 -18.837 1.00 11.32 C ATOM 11 O ALA A 42 48.732 5.298 -19.452 1.00 73.21 O ATOM 12 CB ALA A 42 51.792 3.697 -19.226 1.00 24.24 C ATOM 0 H ALA A 42 50.916 4.175 -21.479 1.00 1.13 H new ATOM 0 HA ALA A 42 50.035 2.473 -19.311 1.00 51.15 H new ATOM 0 HB1 ALA A 42 51.924 3.553 -18.154 1.00 24.24 H new ATOM 0 HB2 ALA A 42 52.407 2.979 -19.767 1.00 24.24 H new ATOM 0 HB3 ALA A 42 52.094 4.709 -19.496 1.00 24.24 H new ATOM 18 N MET A 43 49.380 4.356 -17.512 1.00 52.41 N ATOM 19 CA MET A 43 48.619 5.174 -16.576 1.00 15.32 C ATOM 20 C MET A 43 49.479 5.323 -15.315 1.00 52.30 C ATOM 21 O MET A 43 50.552 4.722 -15.228 1.00 51.14 O ATOM 22 CB MET A 43 47.265 4.516 -16.250 1.00 60.24 C ATOM 23 CG MET A 43 46.293 4.539 -17.435 1.00 15.34 C ATOM 24 SD MET A 43 44.657 3.874 -17.031 1.00 2.32 S ATOM 25 CE MET A 43 43.765 4.289 -18.550 1.00 52.34 C ATOM 0 H MET A 43 49.925 3.639 -17.033 1.00 52.41 H new ATOM 0 HA MET A 43 48.396 6.151 -17.005 1.00 15.32 H new ATOM 0 HB2 MET A 43 47.432 3.484 -15.943 1.00 60.24 H new ATOM 0 HB3 MET A 43 46.811 5.030 -15.403 1.00 60.24 H new ATOM 0 HG2 MET A 43 46.184 5.565 -17.787 1.00 15.34 H new ATOM 0 HG3 MET A 43 46.719 3.964 -18.257 1.00 15.34 H new ATOM 0 HE1 MET A 43 42.733 3.948 -18.471 1.00 52.34 H new ATOM 0 HE2 MET A 43 43.780 5.369 -18.697 1.00 52.34 H new ATOM 0 HE3 MET A 43 44.244 3.800 -19.398 1.00 52.34 H new ATOM 35 N GLY A 44 49.035 6.120 -14.345 1.00 52.24 N ATOM 36 CA GLY A 44 49.739 6.352 -13.094 1.00 23.42 C ATOM 37 C GLY A 44 48.771 6.910 -12.052 1.00 14.34 C ATOM 38 O GLY A 44 47.619 7.193 -12.393 1.00 21.53 O ATOM 0 H GLY A 44 48.155 6.632 -14.413 1.00 52.24 H new ATOM 0 HA2 GLY A 44 50.178 5.421 -12.735 1.00 23.42 H new ATOM 0 HA3 GLY A 44 50.560 7.051 -13.252 1.00 23.42 H new ATOM 42 N PRO A 45 49.208 7.073 -10.794 1.00 23.15 N ATOM 43 CA PRO A 45 48.376 7.589 -9.716 1.00 43.14 C ATOM 44 C PRO A 45 48.060 9.072 -9.948 1.00 44.31 C ATOM 45 O PRO A 45 48.896 9.936 -9.691 1.00 4.23 O ATOM 46 CB PRO A 45 49.175 7.335 -8.432 1.00 31.34 C ATOM 47 CG PRO A 45 50.632 7.347 -8.899 1.00 51.01 C ATOM 48 CD PRO A 45 50.549 6.767 -10.311 1.00 60.23 C ATOM 0 HA PRO A 45 47.404 7.099 -9.657 1.00 43.14 H new ATOM 0 HB2 PRO A 45 48.988 8.107 -7.685 1.00 31.34 H new ATOM 0 HB3 PRO A 45 48.909 6.381 -7.977 1.00 31.34 H new ATOM 0 HG2 PRO A 45 51.046 8.355 -8.901 1.00 51.01 H new ATOM 0 HG3 PRO A 45 51.268 6.743 -8.252 1.00 51.01 H new ATOM 0 HD2 PRO A 45 51.307 7.208 -10.959 1.00 60.23 H new ATOM 0 HD3 PRO A 45 50.724 5.691 -10.302 1.00 60.23 H new ATOM 56 N GLN A 46 46.851 9.375 -10.424 1.00 23.23 N ATOM 57 CA GLN A 46 46.391 10.727 -10.689 1.00 41.45 C ATOM 58 C GLN A 46 44.996 10.876 -10.089 1.00 23.22 C ATOM 59 O GLN A 46 44.040 10.294 -10.596 1.00 50.21 O ATOM 60 CB GLN A 46 46.405 11.008 -12.203 1.00 15.00 C ATOM 61 CG GLN A 46 46.015 12.463 -12.511 1.00 42.41 C ATOM 62 CD GLN A 46 45.864 12.706 -14.009 1.00 41.10 C ATOM 63 OE1 GLN A 46 44.763 12.701 -14.540 1.00 74.04 O ATOM 64 NE2 GLN A 46 46.956 12.933 -14.724 1.00 4.51 N ATOM 0 H GLN A 46 46.152 8.664 -10.639 1.00 23.23 H new ATOM 0 HA GLN A 46 47.054 11.460 -10.230 1.00 41.45 H new ATOM 0 HB2 GLN A 46 47.399 10.804 -12.602 1.00 15.00 H new ATOM 0 HB3 GLN A 46 45.714 10.331 -12.706 1.00 15.00 H new ATOM 0 HG2 GLN A 46 45.078 12.702 -12.008 1.00 42.41 H new ATOM 0 HG3 GLN A 46 46.773 13.135 -12.109 1.00 42.41 H new ATOM 0 HE21 GLN A 46 47.870 12.935 -14.272 1.00 4.51 H new ATOM 0 HE22 GLN A 46 46.882 13.106 -15.727 1.00 4.51 H new ATOM 73 N GLY A 47 44.883 11.613 -8.984 1.00 24.21 N ATOM 74 CA GLY A 47 43.611 11.858 -8.322 1.00 1.51 C ATOM 75 C GLY A 47 42.975 13.058 -9.010 1.00 2.22 C ATOM 76 O GLY A 47 43.059 14.168 -8.498 1.00 45.21 O ATOM 0 H GLY A 47 45.678 12.057 -8.524 1.00 24.21 H new ATOM 0 HA2 GLY A 47 42.964 10.984 -8.395 1.00 1.51 H new ATOM 0 HA3 GLY A 47 43.761 12.056 -7.261 1.00 1.51 H new ATOM 80 N SER A 48 42.417 12.856 -10.204 1.00 2.13 N ATOM 81 CA SER A 48 41.781 13.913 -10.982 1.00 45.11 C ATOM 82 C SER A 48 40.484 14.417 -10.335 1.00 3.25 C ATOM 83 O SER A 48 40.148 15.589 -10.487 1.00 3.40 O ATOM 84 CB SER A 48 41.568 13.406 -12.415 1.00 34.25 C ATOM 85 OG SER A 48 41.139 12.052 -12.436 1.00 1.23 O ATOM 0 H SER A 48 42.395 11.944 -10.660 1.00 2.13 H new ATOM 0 HA SER A 48 42.437 14.783 -11.008 1.00 45.11 H new ATOM 0 HB2 SER A 48 40.827 14.030 -12.915 1.00 34.25 H new ATOM 0 HB3 SER A 48 42.497 13.502 -12.977 1.00 34.25 H new ATOM 0 HG SER A 48 41.012 11.763 -13.364 1.00 1.23 H new ATOM 91 N THR A 49 39.747 13.551 -9.638 1.00 61.34 N ATOM 92 CA THR A 49 38.502 13.854 -8.946 1.00 34.34 C ATOM 93 C THR A 49 38.152 12.627 -8.095 1.00 42.32 C ATOM 94 O THR A 49 38.651 11.523 -8.339 1.00 20.20 O ATOM 95 CB THR A 49 37.390 14.265 -9.945 1.00 51.45 C ATOM 96 OG1 THR A 49 36.131 14.454 -9.310 1.00 12.51 O ATOM 97 CG2 THR A 49 37.191 13.283 -11.105 1.00 25.25 C ATOM 0 H THR A 49 40.019 12.573 -9.538 1.00 61.34 H new ATOM 0 HA THR A 49 38.607 14.718 -8.290 1.00 34.34 H new ATOM 0 HB THR A 49 37.753 15.208 -10.353 1.00 51.45 H new ATOM 0 HG1 THR A 49 35.463 14.713 -9.979 1.00 12.51 H new ATOM 0 HG21 THR A 49 36.395 13.645 -11.756 1.00 25.25 H new ATOM 0 HG22 THR A 49 38.117 13.200 -11.675 1.00 25.25 H new ATOM 0 HG23 THR A 49 36.919 12.304 -10.710 1.00 25.25 H new ATOM 105 N GLN A 50 37.280 12.813 -7.106 1.00 73.40 N ATOM 106 CA GLN A 50 36.830 11.777 -6.195 1.00 11.14 C ATOM 107 C GLN A 50 35.392 12.055 -5.759 1.00 24.12 C ATOM 108 O GLN A 50 34.878 13.163 -5.947 1.00 24.41 O ATOM 109 CB GLN A 50 37.779 11.683 -4.979 1.00 43.13 C ATOM 110 CG GLN A 50 37.964 12.972 -4.154 1.00 22.43 C ATOM 111 CD GLN A 50 38.789 14.039 -4.875 1.00 42.00 C ATOM 112 OE1 GLN A 50 39.896 13.788 -5.328 1.00 62.40 O ATOM 113 NE2 GLN A 50 38.267 15.244 -5.039 1.00 41.41 N ATOM 0 H GLN A 50 36.857 13.721 -6.915 1.00 73.40 H new ATOM 0 HA GLN A 50 36.849 10.815 -6.707 1.00 11.14 H new ATOM 0 HB2 GLN A 50 37.407 10.903 -4.315 1.00 43.13 H new ATOM 0 HB3 GLN A 50 38.758 11.361 -5.334 1.00 43.13 H new ATOM 0 HG2 GLN A 50 36.984 13.383 -3.911 1.00 22.43 H new ATOM 0 HG3 GLN A 50 38.449 12.724 -3.210 1.00 22.43 H new ATOM 0 HE21 GLN A 50 37.343 15.455 -4.662 1.00 41.41 H new ATOM 0 HE22 GLN A 50 38.788 15.961 -5.543 1.00 41.41 H new ATOM 122 N ASN A 51 34.720 11.028 -5.246 1.00 12.12 N ATOM 123 CA ASN A 51 33.356 11.095 -4.739 1.00 61.10 C ATOM 124 C ASN A 51 33.226 10.044 -3.642 1.00 62.23 C ATOM 125 O ASN A 51 34.026 9.107 -3.571 1.00 73.41 O ATOM 126 CB ASN A 51 32.303 10.856 -5.836 1.00 41.41 C ATOM 127 CG ASN A 51 30.893 11.177 -5.332 1.00 75.33 C ATOM 128 OD1 ASN A 51 30.694 12.028 -4.468 1.00 11.41 O ATOM 129 ND2 ASN A 51 29.874 10.510 -5.836 1.00 63.04 N ATOM 0 H ASN A 51 35.126 10.095 -5.170 1.00 12.12 H new ATOM 0 HA ASN A 51 33.168 12.098 -4.355 1.00 61.10 H new ATOM 0 HB2 ASN A 51 32.531 11.475 -6.704 1.00 41.41 H new ATOM 0 HB3 ASN A 51 32.346 9.818 -6.165 1.00 41.41 H new ATOM 0 HD21 ASN A 51 28.927 10.701 -5.509 1.00 63.04 H new ATOM 0 HD22 ASN A 51 30.032 9.802 -6.553 1.00 63.04 H new ATOM 136 N ALA A 52 32.229 10.192 -2.782 1.00 3.23 N ATOM 137 CA ALA A 52 31.926 9.305 -1.674 1.00 51.23 C ATOM 138 C ALA A 52 30.510 8.766 -1.880 1.00 55.21 C ATOM 139 O ALA A 52 30.011 8.744 -3.011 1.00 3.02 O ATOM 140 CB ALA A 52 32.127 10.080 -0.370 1.00 42.24 C ATOM 0 H ALA A 52 31.578 10.975 -2.843 1.00 3.23 H new ATOM 0 HA ALA A 52 32.588 8.441 -1.622 1.00 51.23 H new ATOM 0 HB1 ALA A 52 31.904 9.431 0.477 1.00 42.24 H new ATOM 0 HB2 ALA A 52 33.160 10.420 -0.305 1.00 42.24 H new ATOM 0 HB3 ALA A 52 31.460 10.942 -0.352 1.00 42.24 H new ATOM 146 N LEU A 53 29.864 8.283 -0.820 1.00 34.34 N ATOM 147 CA LEU A 53 28.511 7.744 -0.877 1.00 74.12 C ATOM 148 C LEU A 53 27.536 8.812 -1.381 1.00 34.34 C ATOM 149 O LEU A 53 27.795 10.021 -1.293 1.00 3.31 O ATOM 150 CB LEU A 53 28.087 7.303 0.538 1.00 22.34 C ATOM 151 CG LEU A 53 26.838 6.397 0.608 1.00 52.45 C ATOM 152 CD1 LEU A 53 27.204 4.952 0.274 1.00 32.34 C ATOM 153 CD2 LEU A 53 26.223 6.465 2.001 1.00 40.21 C ATOM 0 H LEU A 53 30.273 8.256 0.114 1.00 34.34 H new ATOM 0 HA LEU A 53 28.493 6.895 -1.560 1.00 74.12 H new ATOM 0 HB2 LEU A 53 28.922 6.777 1.001 1.00 22.34 H new ATOM 0 HB3 LEU A 53 27.901 8.195 1.137 1.00 22.34 H new ATOM 0 HG LEU A 53 26.112 6.751 -0.124 1.00 52.45 H new ATOM 0 HD11 LEU A 53 26.311 4.329 0.328 1.00 32.34 H new ATOM 0 HD12 LEU A 53 27.618 4.905 -0.733 1.00 32.34 H new ATOM 0 HD13 LEU A 53 27.944 4.590 0.988 1.00 32.34 H new ATOM 0 HD21 LEU A 53 25.343 5.823 2.042 1.00 40.21 H new ATOM 0 HD22 LEU A 53 26.952 6.128 2.738 1.00 40.21 H new ATOM 0 HD23 LEU A 53 25.933 7.493 2.221 1.00 40.21 H new ATOM 165 N ARG A 54 26.399 8.356 -1.903 1.00 1.33 N ATOM 166 CA ARG A 54 25.327 9.205 -2.393 1.00 5.52 C ATOM 167 C ARG A 54 24.734 9.992 -1.217 1.00 73.13 C ATOM 168 O ARG A 54 25.148 9.854 -0.063 1.00 45.42 O ATOM 169 CB ARG A 54 24.285 8.316 -3.091 1.00 63.40 C ATOM 170 CG ARG A 54 24.786 7.849 -4.467 1.00 14.22 C ATOM 171 CD ARG A 54 24.525 8.935 -5.511 1.00 62.51 C ATOM 172 NE ARG A 54 24.883 8.495 -6.862 1.00 64.41 N ATOM 173 CZ ARG A 54 24.087 7.849 -7.716 1.00 12.31 C ATOM 174 NH1 ARG A 54 22.925 7.335 -7.331 1.00 54.41 N ATOM 175 NH2 ARG A 54 24.467 7.716 -8.977 1.00 25.40 N ATOM 0 H ARG A 54 26.198 7.361 -1.997 1.00 1.33 H new ATOM 0 HA ARG A 54 25.692 9.931 -3.119 1.00 5.52 H new ATOM 0 HB2 ARG A 54 24.066 7.449 -2.467 1.00 63.40 H new ATOM 0 HB3 ARG A 54 23.352 8.868 -3.209 1.00 63.40 H new ATOM 0 HG2 ARG A 54 25.852 7.627 -4.419 1.00 14.22 H new ATOM 0 HG3 ARG A 54 24.280 6.927 -4.754 1.00 14.22 H new ATOM 0 HD2 ARG A 54 23.472 9.214 -5.488 1.00 62.51 H new ATOM 0 HD3 ARG A 54 25.097 9.827 -5.257 1.00 62.51 H new ATOM 0 HE ARG A 54 25.830 8.702 -7.180 1.00 64.41 H new ATOM 0 HH11 ARG A 54 22.622 7.429 -6.362 1.00 54.41 H new ATOM 0 HH12 ARG A 54 22.336 6.846 -8.005 1.00 54.41 H new ATOM 0 HH21 ARG A 54 25.358 8.105 -9.285 1.00 25.40 H new ATOM 0 HH22 ARG A 54 23.869 7.225 -9.641 1.00 25.40 H new ATOM 189 N ARG A 55 23.804 10.886 -1.533 1.00 42.40 N ATOM 190 CA ARG A 55 23.116 11.749 -0.587 1.00 1.44 C ATOM 191 C ARG A 55 21.624 11.476 -0.705 1.00 30.23 C ATOM 192 O ARG A 55 21.164 10.997 -1.746 1.00 32.42 O ATOM 193 CB ARG A 55 23.502 13.231 -0.802 1.00 70.23 C ATOM 194 CG ARG A 55 23.594 13.708 -2.265 1.00 43.13 C ATOM 195 CD ARG A 55 24.970 13.474 -2.920 1.00 31.32 C ATOM 196 NE ARG A 55 26.008 14.368 -2.388 1.00 73.21 N ATOM 197 CZ ARG A 55 27.332 14.179 -2.426 1.00 71.32 C ATOM 198 NH1 ARG A 55 27.884 12.980 -2.620 1.00 71.02 N ATOM 199 NH2 ARG A 55 28.123 15.228 -2.269 1.00 51.41 N ATOM 0 H ARG A 55 23.498 11.033 -2.495 1.00 42.40 H new ATOM 0 HA ARG A 55 23.420 11.530 0.437 1.00 1.44 H new ATOM 0 HB2 ARG A 55 22.772 13.853 -0.285 1.00 70.23 H new ATOM 0 HB3 ARG A 55 24.466 13.406 -0.324 1.00 70.23 H new ATOM 0 HG2 ARG A 55 22.833 13.194 -2.852 1.00 43.13 H new ATOM 0 HG3 ARG A 55 23.362 14.772 -2.304 1.00 43.13 H new ATOM 0 HD2 ARG A 55 25.272 12.439 -2.763 1.00 31.32 H new ATOM 0 HD3 ARG A 55 24.886 13.621 -3.997 1.00 31.32 H new ATOM 0 HE ARG A 55 25.684 15.226 -1.941 1.00 73.21 H new ATOM 0 HH11 ARG A 55 27.291 12.160 -2.747 1.00 71.02 H new ATOM 0 HH12 ARG A 55 28.899 12.883 -2.641 1.00 71.02 H new ATOM 0 HH21 ARG A 55 27.720 16.153 -2.123 1.00 51.41 H new ATOM 0 HH22 ARG A 55 29.136 15.111 -2.294 1.00 51.41 H new ATOM 213 N THR A 56 20.874 11.818 0.335 1.00 73.20 N ATOM 214 CA THR A 56 19.438 11.602 0.404 1.00 23.11 C ATOM 215 C THR A 56 18.664 12.894 0.157 1.00 54.00 C ATOM 216 O THR A 56 17.794 12.918 -0.708 1.00 24.13 O ATOM 217 CB THR A 56 19.089 11.009 1.779 1.00 11.24 C ATOM 218 OG1 THR A 56 20.023 10.022 2.184 1.00 60.12 O ATOM 219 CG2 THR A 56 17.695 10.388 1.795 1.00 11.13 C ATOM 0 H THR A 56 21.257 12.262 1.170 1.00 73.20 H new ATOM 0 HA THR A 56 19.147 10.904 -0.381 1.00 23.11 H new ATOM 0 HB THR A 56 19.121 11.846 2.477 1.00 11.24 H new ATOM 0 HG1 THR A 56 19.768 9.671 3.063 1.00 60.12 H new ATOM 0 HG21 THR A 56 17.489 9.981 2.785 1.00 11.13 H new ATOM 0 HG22 THR A 56 16.954 11.151 1.555 1.00 11.13 H new ATOM 0 HG23 THR A 56 17.645 9.588 1.056 1.00 11.13 H new ATOM 227 N GLY A 57 18.937 13.969 0.908 1.00 21.53 N ATOM 228 CA GLY A 57 18.220 15.230 0.742 1.00 51.44 C ATOM 229 C GLY A 57 16.720 15.065 0.999 1.00 44.14 C ATOM 230 O GLY A 57 15.913 15.735 0.358 1.00 34.42 O ATOM 0 H GLY A 57 19.651 13.986 1.636 1.00 21.53 H new ATOM 0 HA2 GLY A 57 18.627 15.973 1.427 1.00 51.44 H new ATOM 0 HA3 GLY A 57 18.377 15.608 -0.268 1.00 51.44 H new ATOM 234 N ARG A 58 16.343 14.163 1.919 1.00 33.24 N ATOM 235 CA ARG A 58 14.953 13.855 2.292 1.00 33.45 C ATOM 236 C ARG A 58 14.160 13.208 1.157 1.00 45.43 C ATOM 237 O ARG A 58 12.939 13.127 1.252 1.00 61.12 O ATOM 238 CB ARG A 58 14.222 15.097 2.855 1.00 62.31 C ATOM 239 CG ARG A 58 15.006 15.897 3.904 1.00 13.33 C ATOM 240 CD ARG A 58 15.177 15.143 5.225 1.00 34.22 C ATOM 241 NE ARG A 58 13.911 15.057 5.967 1.00 22.10 N ATOM 242 CZ ARG A 58 13.722 14.601 7.207 1.00 14.21 C ATOM 243 NH1 ARG A 58 14.740 14.124 7.914 1.00 43.42 N ATOM 244 NH2 ARG A 58 12.507 14.636 7.737 1.00 64.52 N ATOM 0 H ARG A 58 17.021 13.609 2.442 1.00 33.24 H new ATOM 0 HA ARG A 58 15.012 13.113 3.089 1.00 33.45 H new ATOM 0 HB2 ARG A 58 13.975 15.760 2.026 1.00 62.31 H new ATOM 0 HB3 ARG A 58 13.279 14.775 3.297 1.00 62.31 H new ATOM 0 HG2 ARG A 58 15.989 16.145 3.504 1.00 13.33 H new ATOM 0 HG3 ARG A 58 14.492 16.839 4.094 1.00 13.33 H new ATOM 0 HD2 ARG A 58 15.551 14.139 5.026 1.00 34.22 H new ATOM 0 HD3 ARG A 58 15.925 15.646 5.838 1.00 34.22 H new ATOM 0 HE ARG A 58 13.079 15.384 5.476 1.00 22.10 H new ATOM 0 HH11 ARG A 58 15.676 14.104 7.510 1.00 43.42 H new ATOM 0 HH12 ARG A 58 14.585 13.778 8.861 1.00 43.42 H new ATOM 0 HH21 ARG A 58 11.726 15.009 7.198 1.00 64.52 H new ATOM 0 HH22 ARG A 58 12.354 14.290 8.684 1.00 64.52 H new ATOM 258 N VAL A 59 14.832 12.747 0.107 1.00 40.11 N ATOM 259 CA VAL A 59 14.178 12.127 -1.028 1.00 32.24 C ATOM 260 C VAL A 59 14.073 10.616 -0.861 1.00 73.23 C ATOM 261 O VAL A 59 15.037 9.946 -0.475 1.00 22.15 O ATOM 262 CB VAL A 59 14.939 12.471 -2.316 1.00 3.05 C ATOM 263 CG1 VAL A 59 14.281 11.826 -3.536 1.00 43.54 C ATOM 264 CG2 VAL A 59 15.003 13.991 -2.510 1.00 14.31 C ATOM 0 H VAL A 59 15.847 12.795 0.024 1.00 40.11 H new ATOM 0 HA VAL A 59 13.163 12.520 -1.090 1.00 32.24 H new ATOM 0 HB VAL A 59 15.950 12.076 -2.218 1.00 3.05 H new ATOM 0 HG11 VAL A 59 14.842 12.088 -4.433 1.00 43.54 H new ATOM 0 HG12 VAL A 59 14.274 10.743 -3.415 1.00 43.54 H new ATOM 0 HG13 VAL A 59 13.257 12.187 -3.631 1.00 43.54 H new ATOM 0 HG21 VAL A 59 15.546 14.218 -3.428 1.00 14.31 H new ATOM 0 HG22 VAL A 59 13.992 14.392 -2.578 1.00 14.31 H new ATOM 0 HG23 VAL A 59 15.517 14.445 -1.663 1.00 14.31 H new ATOM 274 N ASN A 60 12.915 10.090 -1.257 1.00 53.15 N ATOM 275 CA ASN A 60 12.533 8.690 -1.244 1.00 35.51 C ATOM 276 C ASN A 60 11.678 8.401 -2.473 1.00 3.10 C ATOM 277 O ASN A 60 11.284 9.321 -3.198 1.00 54.10 O ATOM 278 CB ASN A 60 11.757 8.387 0.042 1.00 1.54 C ATOM 279 CG ASN A 60 12.662 8.547 1.246 1.00 44.31 C ATOM 280 OD1 ASN A 60 12.464 9.438 2.060 1.00 1.21 O ATOM 281 ND2 ASN A 60 13.732 7.781 1.326 1.00 71.51 N ATOM 0 H ASN A 60 12.168 10.681 -1.622 1.00 53.15 H new ATOM 0 HA ASN A 60 13.418 8.054 -1.271 1.00 35.51 H new ATOM 0 HB2 ASN A 60 10.903 9.059 0.127 1.00 1.54 H new ATOM 0 HB3 ASN A 60 11.362 7.372 0.007 1.00 1.54 H new ATOM 0 HD21 ASN A 60 14.409 7.927 2.075 1.00 71.51 H new ATOM 0 HD22 ASN A 60 13.883 7.042 0.639 1.00 71.51 H new ATOM 288 N GLY A 61 11.374 7.124 -2.691 1.00 23.43 N ATOM 289 CA GLY A 61 10.578 6.649 -3.809 1.00 60.20 C ATOM 290 C GLY A 61 11.309 5.492 -4.466 1.00 24.23 C ATOM 291 O GLY A 61 12.387 5.692 -5.038 1.00 42.31 O ATOM 0 H GLY A 61 11.686 6.373 -2.075 1.00 23.43 H new ATOM 0 HA2 GLY A 61 9.595 6.329 -3.464 1.00 60.20 H new ATOM 0 HA3 GLY A 61 10.418 7.453 -4.528 1.00 60.20 H new ATOM 295 N GLY A 62 10.740 4.291 -4.398 1.00 72.54 N ATOM 296 CA GLY A 62 11.320 3.087 -4.962 1.00 35.05 C ATOM 297 C GLY A 62 12.172 2.468 -3.869 1.00 21.13 C ATOM 298 O GLY A 62 13.393 2.640 -3.849 1.00 43.30 O ATOM 0 H GLY A 62 9.844 4.130 -3.938 1.00 72.54 H new ATOM 0 HA2 GLY A 62 10.542 2.396 -5.286 1.00 35.05 H new ATOM 0 HA3 GLY A 62 11.923 3.321 -5.839 1.00 35.05 H new ATOM 302 N HIS A 63 11.530 1.763 -2.944 1.00 71.53 N ATOM 303 CA HIS A 63 12.139 1.092 -1.803 1.00 53.32 C ATOM 304 C HIS A 63 11.744 -0.385 -1.821 1.00 25.31 C ATOM 305 O HIS A 63 10.675 -0.712 -2.332 1.00 33.41 O ATOM 306 CB HIS A 63 11.680 1.811 -0.534 1.00 3.20 C ATOM 307 CG HIS A 63 12.408 3.118 -0.365 1.00 63.33 C ATOM 308 ND1 HIS A 63 13.663 3.286 0.186 1.00 54.51 N ATOM 309 CD2 HIS A 63 11.985 4.327 -0.842 1.00 21.10 C ATOM 310 CE1 HIS A 63 13.999 4.578 0.025 1.00 73.44 C ATOM 311 NE2 HIS A 63 13.007 5.255 -0.591 1.00 71.10 N ATOM 0 H HIS A 63 10.518 1.638 -2.972 1.00 71.53 H new ATOM 0 HA HIS A 63 13.228 1.131 -1.842 1.00 53.32 H new ATOM 0 HB2 HIS A 63 10.606 1.992 -0.582 1.00 3.20 H new ATOM 0 HB3 HIS A 63 11.858 1.176 0.334 1.00 3.20 H new ATOM 0 HD1 HIS A 63 14.230 2.565 0.632 1.00 54.51 H new ATOM 0 HD2 HIS A 63 11.040 4.530 -1.323 1.00 21.10 H new ATOM 0 HE1 HIS A 63 14.934 5.014 0.345 1.00 73.44 H new ATOM 319 N PRO A 64 12.593 -1.296 -1.315 1.00 11.32 N ATOM 320 CA PRO A 64 12.292 -2.713 -1.320 1.00 44.51 C ATOM 321 C PRO A 64 11.157 -3.006 -0.351 1.00 34.51 C ATOM 322 O PRO A 64 11.091 -2.450 0.749 1.00 52.52 O ATOM 323 CB PRO A 64 13.597 -3.417 -0.952 1.00 1.41 C ATOM 324 CG PRO A 64 14.291 -2.393 -0.059 1.00 60.30 C ATOM 325 CD PRO A 64 13.873 -1.057 -0.674 1.00 64.14 C ATOM 0 HA PRO A 64 11.945 -3.070 -2.290 1.00 44.51 H new ATOM 0 HB2 PRO A 64 13.417 -4.355 -0.428 1.00 1.41 H new ATOM 0 HB3 PRO A 64 14.192 -3.654 -1.834 1.00 1.41 H new ATOM 0 HG2 PRO A 64 13.968 -2.478 0.978 1.00 60.30 H new ATOM 0 HG3 PRO A 64 15.374 -2.519 -0.067 1.00 60.30 H new ATOM 0 HD2 PRO A 64 13.789 -0.285 0.091 1.00 64.14 H new ATOM 0 HD3 PRO A 64 14.613 -0.711 -1.396 1.00 64.14 H new ATOM 333 N VAL A 65 10.244 -3.868 -0.785 1.00 62.22 N ATOM 334 CA VAL A 65 9.098 -4.286 0.002 1.00 15.43 C ATOM 335 C VAL A 65 8.967 -5.792 -0.109 1.00 22.24 C ATOM 336 O VAL A 65 9.453 -6.394 -1.072 1.00 32.52 O ATOM 337 CB VAL A 65 7.804 -3.557 -0.424 1.00 32.52 C ATOM 338 CG1 VAL A 65 8.006 -2.043 -0.437 1.00 40.11 C ATOM 339 CG2 VAL A 65 7.246 -4.005 -1.787 1.00 34.13 C ATOM 0 H VAL A 65 10.283 -4.300 -1.708 1.00 62.22 H new ATOM 0 HA VAL A 65 9.255 -4.012 1.045 1.00 15.43 H new ATOM 0 HB VAL A 65 7.065 -3.835 0.328 1.00 32.52 H new ATOM 0 HG11 VAL A 65 7.080 -1.555 -0.740 1.00 40.11 H new ATOM 0 HG12 VAL A 65 8.285 -1.705 0.561 1.00 40.11 H new ATOM 0 HG13 VAL A 65 8.798 -1.788 -1.141 1.00 40.11 H new ATOM 0 HG21 VAL A 65 6.338 -3.445 -2.010 1.00 34.13 H new ATOM 0 HG22 VAL A 65 7.988 -3.818 -2.563 1.00 34.13 H new ATOM 0 HG23 VAL A 65 7.016 -5.070 -1.754 1.00 34.13 H new ATOM 349 N THR A 66 8.270 -6.395 0.838 1.00 15.44 N ATOM 350 CA THR A 66 8.032 -7.823 0.885 1.00 4.11 C ATOM 351 C THR A 66 6.530 -8.059 0.946 1.00 51.21 C ATOM 352 O THR A 66 5.753 -7.178 1.319 1.00 75.10 O ATOM 353 CB THR A 66 8.808 -8.439 2.065 1.00 32.43 C ATOM 354 OG1 THR A 66 8.897 -7.543 3.161 1.00 33.21 O ATOM 355 CG2 THR A 66 10.217 -8.817 1.623 1.00 21.22 C ATOM 0 H THR A 66 7.844 -5.890 1.615 1.00 15.44 H new ATOM 0 HA THR A 66 8.402 -8.322 -0.011 1.00 4.11 H new ATOM 0 HB THR A 66 8.261 -9.326 2.385 1.00 32.43 H new ATOM 0 HG1 THR A 66 9.524 -7.899 3.825 1.00 33.21 H new ATOM 0 HG21 THR A 66 10.758 -9.252 2.464 1.00 21.22 H new ATOM 0 HG22 THR A 66 10.161 -9.544 0.813 1.00 21.22 H new ATOM 0 HG23 THR A 66 10.741 -7.926 1.276 1.00 21.22 H new ATOM 363 N THR A 67 6.119 -9.280 0.634 1.00 42.40 N ATOM 364 CA THR A 67 4.744 -9.753 0.612 1.00 75.22 C ATOM 365 C THR A 67 4.018 -9.429 1.929 1.00 42.52 C ATOM 366 O THR A 67 2.860 -9.012 1.934 1.00 63.12 O ATOM 367 CB THR A 67 4.848 -11.258 0.332 1.00 44.20 C ATOM 368 OG1 THR A 67 5.742 -11.454 -0.752 1.00 24.34 O ATOM 369 CG2 THR A 67 3.497 -11.848 -0.044 1.00 43.41 C ATOM 0 H THR A 67 6.780 -10.012 0.373 1.00 42.40 H new ATOM 0 HA THR A 67 4.143 -9.259 -0.152 1.00 75.22 H new ATOM 0 HB THR A 67 5.203 -11.754 1.235 1.00 44.20 H new ATOM 0 HG1 THR A 67 5.820 -12.412 -0.942 1.00 24.34 H new ATOM 0 HG21 THR A 67 3.607 -12.915 -0.236 1.00 43.41 H new ATOM 0 HG22 THR A 67 2.793 -11.697 0.775 1.00 43.41 H new ATOM 0 HG23 THR A 67 3.122 -11.355 -0.941 1.00 43.41 H new ATOM 377 N GLN A 68 4.732 -9.565 3.047 1.00 21.14 N ATOM 378 CA GLN A 68 4.233 -9.284 4.384 1.00 4.41 C ATOM 379 C GLN A 68 3.773 -7.824 4.483 1.00 75.52 C ATOM 380 O GLN A 68 2.759 -7.554 5.097 1.00 21.31 O ATOM 381 CB GLN A 68 5.334 -9.613 5.409 1.00 75.44 C ATOM 382 CG GLN A 68 6.560 -8.689 5.259 1.00 51.22 C ATOM 383 CD GLN A 68 7.907 -9.322 5.562 1.00 64.23 C ATOM 384 OE1 GLN A 68 8.729 -8.717 6.235 1.00 21.13 O ATOM 385 NE2 GLN A 68 8.212 -10.483 4.989 1.00 53.21 N ATOM 0 H GLN A 68 5.701 -9.883 3.042 1.00 21.14 H new ATOM 0 HA GLN A 68 3.365 -9.907 4.600 1.00 4.41 H new ATOM 0 HB2 GLN A 68 4.930 -9.519 6.417 1.00 75.44 H new ATOM 0 HB3 GLN A 68 5.645 -10.650 5.286 1.00 75.44 H new ATOM 0 HG2 GLN A 68 6.581 -8.307 4.238 1.00 51.22 H new ATOM 0 HG3 GLN A 68 6.427 -7.831 5.918 1.00 51.22 H new ATOM 0 HE21 GLN A 68 7.514 -10.975 4.431 1.00 53.21 H new ATOM 0 HE22 GLN A 68 9.143 -10.881 5.108 1.00 53.21 H new ATOM 394 N MET A 69 4.460 -6.866 3.860 1.00 61.32 N ATOM 395 CA MET A 69 4.056 -5.468 3.923 1.00 53.53 C ATOM 396 C MET A 69 2.692 -5.304 3.255 1.00 31.54 C ATOM 397 O MET A 69 1.850 -4.539 3.732 1.00 61.33 O ATOM 398 CB MET A 69 5.139 -4.583 3.293 1.00 62.31 C ATOM 399 CG MET A 69 6.447 -4.633 4.086 1.00 12.31 C ATOM 400 SD MET A 69 7.846 -3.814 3.284 1.00 43.42 S ATOM 401 CE MET A 69 7.372 -2.068 3.398 1.00 12.52 C ATOM 0 H MET A 69 5.299 -7.037 3.306 1.00 61.32 H new ATOM 0 HA MET A 69 3.951 -5.148 4.960 1.00 53.53 H new ATOM 0 HB2 MET A 69 5.323 -4.907 2.269 1.00 62.31 H new ATOM 0 HB3 MET A 69 4.784 -3.554 3.243 1.00 62.31 H new ATOM 0 HG2 MET A 69 6.284 -4.173 5.060 1.00 12.31 H new ATOM 0 HG3 MET A 69 6.708 -5.676 4.266 1.00 12.31 H new ATOM 0 HE1 MET A 69 8.236 -1.441 3.175 1.00 12.52 H new ATOM 0 HE2 MET A 69 6.578 -1.859 2.682 1.00 12.52 H new ATOM 0 HE3 MET A 69 7.018 -1.852 4.406 1.00 12.52 H new ATOM 411 N VAL A 70 2.471 -6.036 2.158 1.00 33.40 N ATOM 412 CA VAL A 70 1.222 -6.004 1.419 1.00 40.30 C ATOM 413 C VAL A 70 0.086 -6.464 2.328 1.00 42.31 C ATOM 414 O VAL A 70 -0.910 -5.753 2.465 1.00 45.33 O ATOM 415 CB VAL A 70 1.302 -6.826 0.117 1.00 23.02 C ATOM 416 CG1 VAL A 70 0.078 -6.553 -0.757 1.00 65.10 C ATOM 417 CG2 VAL A 70 2.589 -6.552 -0.672 1.00 64.24 C ATOM 0 H VAL A 70 3.165 -6.670 1.762 1.00 33.40 H new ATOM 0 HA VAL A 70 1.021 -4.979 1.107 1.00 40.30 H new ATOM 0 HB VAL A 70 1.318 -7.878 0.402 1.00 23.02 H new ATOM 0 HG11 VAL A 70 0.147 -7.140 -1.673 1.00 65.10 H new ATOM 0 HG12 VAL A 70 -0.826 -6.832 -0.215 1.00 65.10 H new ATOM 0 HG13 VAL A 70 0.039 -5.493 -1.007 1.00 65.10 H new ATOM 0 HG21 VAL A 70 2.595 -7.156 -1.579 1.00 64.24 H new ATOM 0 HG22 VAL A 70 2.635 -5.496 -0.939 1.00 64.24 H new ATOM 0 HG23 VAL A 70 3.453 -6.809 -0.059 1.00 64.24 H new ATOM 427 N GLU A 71 0.217 -7.646 2.933 1.00 74.10 N ATOM 428 CA GLU A 71 -0.826 -8.154 3.822 1.00 42.15 C ATOM 429 C GLU A 71 -0.996 -7.234 5.033 1.00 1.51 C ATOM 430 O GLU A 71 -2.137 -7.006 5.408 1.00 53.41 O ATOM 431 CB GLU A 71 -0.657 -9.625 4.226 1.00 63.00 C ATOM 432 CG GLU A 71 0.764 -10.000 4.579 1.00 65.30 C ATOM 433 CD GLU A 71 0.873 -11.260 5.430 1.00 44.01 C ATOM 434 OE1 GLU A 71 0.788 -11.163 6.678 1.00 60.23 O ATOM 435 OE2 GLU A 71 1.087 -12.340 4.828 1.00 54.22 O ATOM 0 H GLU A 71 1.024 -8.261 2.825 1.00 74.10 H new ATOM 0 HA GLU A 71 -1.750 -8.141 3.243 1.00 42.15 H new ATOM 0 HB2 GLU A 71 -1.301 -9.834 5.080 1.00 63.00 H new ATOM 0 HB3 GLU A 71 -0.998 -10.259 3.407 1.00 63.00 H new ATOM 0 HG2 GLU A 71 1.331 -10.143 3.659 1.00 65.30 H new ATOM 0 HG3 GLU A 71 1.227 -9.170 5.113 1.00 65.30 H new ATOM 442 N THR A 72 0.063 -6.656 5.619 1.00 50.31 N ATOM 443 CA THR A 72 -0.076 -5.746 6.762 1.00 13.21 C ATOM 444 C THR A 72 -1.066 -4.634 6.370 1.00 45.44 C ATOM 445 O THR A 72 -2.135 -4.540 6.975 1.00 52.31 O ATOM 446 CB THR A 72 1.269 -5.166 7.255 1.00 41.10 C ATOM 447 OG1 THR A 72 2.307 -6.113 7.391 1.00 71.34 O ATOM 448 CG2 THR A 72 1.100 -4.515 8.635 1.00 72.42 C ATOM 0 H THR A 72 1.026 -6.804 5.318 1.00 50.31 H new ATOM 0 HA THR A 72 -0.458 -6.313 7.611 1.00 13.21 H new ATOM 0 HB THR A 72 1.550 -4.453 6.480 1.00 41.10 H new ATOM 0 HG1 THR A 72 2.476 -6.540 6.525 1.00 71.34 H new ATOM 0 HG21 THR A 72 2.057 -4.112 8.967 1.00 72.42 H new ATOM 0 HG22 THR A 72 0.370 -3.709 8.570 1.00 72.42 H new ATOM 0 HG23 THR A 72 0.753 -5.262 9.350 1.00 72.42 H new ATOM 456 N VAL A 73 -0.762 -3.836 5.334 1.00 2.10 N ATOM 457 CA VAL A 73 -1.648 -2.761 4.875 1.00 52.35 C ATOM 458 C VAL A 73 -3.033 -3.314 4.553 1.00 72.52 C ATOM 459 O VAL A 73 -4.009 -2.729 5.008 1.00 23.12 O ATOM 460 CB VAL A 73 -1.093 -2.064 3.620 1.00 71.15 C ATOM 461 CG1 VAL A 73 -2.008 -0.968 3.046 1.00 75.23 C ATOM 462 CG2 VAL A 73 0.255 -1.408 3.872 1.00 11.22 C ATOM 0 H VAL A 73 0.100 -3.919 4.796 1.00 2.10 H new ATOM 0 HA VAL A 73 -1.712 -2.033 5.684 1.00 52.35 H new ATOM 0 HB VAL A 73 -1.012 -2.880 2.902 1.00 71.15 H new ATOM 0 HG11 VAL A 73 -1.541 -0.529 2.164 1.00 75.23 H new ATOM 0 HG12 VAL A 73 -2.968 -1.404 2.770 1.00 75.23 H new ATOM 0 HG13 VAL A 73 -2.164 -0.194 3.797 1.00 75.23 H new ATOM 0 HG21 VAL A 73 0.604 -0.930 2.957 1.00 11.22 H new ATOM 0 HG22 VAL A 73 0.154 -0.658 4.657 1.00 11.22 H new ATOM 0 HG23 VAL A 73 0.975 -2.165 4.184 1.00 11.22 H new ATOM 472 N GLN A 74 -3.135 -4.406 3.787 1.00 40.50 N ATOM 473 CA GLN A 74 -4.417 -5.010 3.401 1.00 23.51 C ATOM 474 C GLN A 74 -5.268 -5.369 4.622 1.00 50.12 C ATOM 475 O GLN A 74 -6.478 -5.135 4.617 1.00 0.43 O ATOM 476 CB GLN A 74 -4.180 -6.259 2.531 1.00 64.14 C ATOM 477 CG GLN A 74 -5.455 -6.932 1.989 1.00 14.13 C ATOM 478 CD GLN A 74 -6.110 -6.239 0.791 1.00 5.14 C ATOM 479 OE1 GLN A 74 -6.150 -6.802 -0.303 1.00 50.55 O ATOM 480 NE2 GLN A 74 -6.691 -5.057 0.948 1.00 61.54 N ATOM 0 H GLN A 74 -2.324 -4.900 3.414 1.00 40.50 H new ATOM 0 HA GLN A 74 -4.967 -4.269 2.822 1.00 23.51 H new ATOM 0 HB2 GLN A 74 -3.549 -5.980 1.687 1.00 64.14 H new ATOM 0 HB3 GLN A 74 -3.623 -6.990 3.117 1.00 64.14 H new ATOM 0 HG2 GLN A 74 -5.211 -7.956 1.705 1.00 14.13 H new ATOM 0 HG3 GLN A 74 -6.185 -6.990 2.796 1.00 14.13 H new ATOM 0 HE21 GLN A 74 -6.659 -4.589 1.854 1.00 61.54 H new ATOM 0 HE22 GLN A 74 -7.170 -4.616 0.163 1.00 61.54 H new ATOM 489 N ASN A 75 -4.664 -5.929 5.668 1.00 61.13 N ATOM 490 CA ASN A 75 -5.364 -6.306 6.887 1.00 51.13 C ATOM 491 C ASN A 75 -5.939 -5.049 7.526 1.00 51.51 C ATOM 492 O ASN A 75 -7.107 -5.020 7.916 1.00 42.52 O ATOM 493 CB ASN A 75 -4.446 -7.050 7.864 1.00 23.41 C ATOM 494 CG ASN A 75 -4.115 -8.455 7.375 1.00 25.34 C ATOM 495 OD1 ASN A 75 -4.975 -9.197 6.917 1.00 13.10 O ATOM 496 ND2 ASN A 75 -2.862 -8.872 7.481 1.00 21.23 N ATOM 0 H ASN A 75 -3.665 -6.134 5.690 1.00 61.13 H new ATOM 0 HA ASN A 75 -6.171 -6.994 6.635 1.00 51.13 H new ATOM 0 HB2 ASN A 75 -3.523 -6.485 7.997 1.00 23.41 H new ATOM 0 HB3 ASN A 75 -4.927 -7.109 8.840 1.00 23.41 H new ATOM 0 HD21 ASN A 75 -2.611 -9.814 7.181 1.00 21.23 H new ATOM 0 HD22 ASN A 75 -2.148 -8.251 7.863 1.00 21.23 H new ATOM 503 N LEU A 76 -5.157 -3.971 7.574 1.00 1.30 N ATOM 504 CA LEU A 76 -5.621 -2.726 8.171 1.00 43.13 C ATOM 505 C LEU A 76 -6.598 -1.984 7.240 1.00 41.23 C ATOM 506 O LEU A 76 -7.487 -1.289 7.735 1.00 5.50 O ATOM 507 CB LEU A 76 -4.428 -1.842 8.578 1.00 42.32 C ATOM 508 CG LEU A 76 -3.317 -2.512 9.423 1.00 22.12 C ATOM 509 CD1 LEU A 76 -2.518 -1.449 10.172 1.00 62.14 C ATOM 510 CD2 LEU A 76 -3.775 -3.577 10.426 1.00 62.21 C ATOM 0 H LEU A 76 -4.205 -3.937 7.208 1.00 1.30 H new ATOM 0 HA LEU A 76 -6.176 -2.969 9.077 1.00 43.13 H new ATOM 0 HB2 LEU A 76 -3.972 -1.448 7.670 1.00 42.32 H new ATOM 0 HB3 LEU A 76 -4.813 -0.989 9.138 1.00 42.32 H new ATOM 0 HG LEU A 76 -2.713 -3.045 8.688 1.00 22.12 H new ATOM 0 HD11 LEU A 76 -1.739 -1.929 10.764 1.00 62.14 H new ATOM 0 HD12 LEU A 76 -2.061 -0.766 9.456 1.00 62.14 H new ATOM 0 HD13 LEU A 76 -3.183 -0.892 10.832 1.00 62.14 H new ATOM 0 HD21 LEU A 76 -2.909 -3.973 10.957 1.00 62.21 H new ATOM 0 HD22 LEU A 76 -4.466 -3.130 11.141 1.00 62.21 H new ATOM 0 HD23 LEU A 76 -4.276 -4.386 9.894 1.00 62.21 H new ATOM 522 N ALA A 77 -6.502 -2.178 5.920 1.00 22.42 N ATOM 523 CA ALA A 77 -7.301 -1.570 4.861 1.00 12.23 C ATOM 524 C ALA A 77 -7.938 -2.625 3.950 1.00 24.12 C ATOM 525 O ALA A 77 -7.412 -2.899 2.864 1.00 51.30 O ATOM 526 CB ALA A 77 -6.429 -0.635 4.011 1.00 62.53 C ATOM 0 H ALA A 77 -5.805 -2.817 5.538 1.00 22.42 H new ATOM 0 HA ALA A 77 -8.099 -1.005 5.343 1.00 12.23 H new ATOM 0 HB1 ALA A 77 -7.036 -0.187 3.224 1.00 62.53 H new ATOM 0 HB2 ALA A 77 -6.016 0.151 4.643 1.00 62.53 H new ATOM 0 HB3 ALA A 77 -5.615 -1.205 3.562 1.00 62.53 H new ATOM 532 N PRO A 78 -9.087 -3.201 4.325 1.00 70.24 N ATOM 533 CA PRO A 78 -9.741 -4.208 3.499 1.00 53.45 C ATOM 534 C PRO A 78 -10.310 -3.631 2.198 1.00 11.44 C ATOM 535 O PRO A 78 -10.518 -4.385 1.251 1.00 71.23 O ATOM 536 CB PRO A 78 -10.864 -4.771 4.371 1.00 45.55 C ATOM 537 CG PRO A 78 -11.181 -3.630 5.335 1.00 61.33 C ATOM 538 CD PRO A 78 -9.819 -2.978 5.560 1.00 13.42 C ATOM 0 HA PRO A 78 -9.026 -4.969 3.185 1.00 53.45 H new ATOM 0 HB2 PRO A 78 -11.735 -5.045 3.775 1.00 45.55 H new ATOM 0 HB3 PRO A 78 -10.547 -5.668 4.903 1.00 45.55 H new ATOM 0 HG2 PRO A 78 -11.898 -2.929 4.908 1.00 61.33 H new ATOM 0 HG3 PRO A 78 -11.611 -3.997 6.267 1.00 61.33 H new ATOM 0 HD2 PRO A 78 -9.921 -1.914 5.772 1.00 13.42 H new ATOM 0 HD3 PRO A 78 -9.303 -3.424 6.410 1.00 13.42 H new ATOM 546 N ASN A 79 -10.550 -2.314 2.152 1.00 61.24 N ATOM 547 CA ASN A 79 -11.110 -1.609 1.001 1.00 51.53 C ATOM 548 C ASN A 79 -10.089 -1.330 -0.098 1.00 23.33 C ATOM 549 O ASN A 79 -10.484 -1.035 -1.226 1.00 43.24 O ATOM 550 CB ASN A 79 -11.753 -0.302 1.492 1.00 53.13 C ATOM 551 CG ASN A 79 -12.960 0.072 0.643 1.00 21.40 C ATOM 552 OD1 ASN A 79 -14.088 0.070 1.126 1.00 31.52 O ATOM 553 ND2 ASN A 79 -12.776 0.325 -0.633 1.00 55.15 N ATOM 0 H ASN A 79 -10.353 -1.696 2.939 1.00 61.24 H new ATOM 0 HA ASN A 79 -11.857 -2.258 0.545 1.00 51.53 H new ATOM 0 HB2 ASN A 79 -12.058 -0.412 2.533 1.00 53.13 H new ATOM 0 HB3 ASN A 79 -11.018 0.503 1.458 1.00 53.13 H new ATOM 0 HD21 ASN A 79 -13.576 0.523 -1.234 1.00 55.15 H new ATOM 0 HD22 ASN A 79 -11.833 0.324 -1.022 1.00 55.15 H new ATOM 560 N LEU A 80 -8.790 -1.367 0.207 1.00 32.43 N ATOM 561 CA LEU A 80 -7.767 -1.111 -0.795 1.00 14.31 C ATOM 562 C LEU A 80 -7.555 -2.358 -1.645 1.00 23.32 C ATOM 563 O LEU A 80 -7.856 -3.479 -1.220 1.00 31.23 O ATOM 564 CB LEU A 80 -6.451 -0.680 -0.132 1.00 23.13 C ATOM 565 CG LEU A 80 -6.449 0.769 0.393 1.00 73.03 C ATOM 566 CD1 LEU A 80 -5.068 1.073 0.984 1.00 33.24 C ATOM 567 CD2 LEU A 80 -6.821 1.814 -0.672 1.00 71.31 C ATOM 0 H LEU A 80 -8.428 -1.572 1.138 1.00 32.43 H new ATOM 0 HA LEU A 80 -8.101 -0.297 -1.438 1.00 14.31 H new ATOM 0 HB2 LEU A 80 -6.238 -1.355 0.697 1.00 23.13 H new ATOM 0 HB3 LEU A 80 -5.641 -0.794 -0.852 1.00 23.13 H new ATOM 0 HG LEU A 80 -7.224 0.842 1.156 1.00 73.03 H new ATOM 0 HD11 LEU A 80 -5.050 2.096 1.360 1.00 33.24 H new ATOM 0 HD12 LEU A 80 -4.862 0.382 1.801 1.00 33.24 H new ATOM 0 HD13 LEU A 80 -4.308 0.958 0.211 1.00 33.24 H new ATOM 0 HD21 LEU A 80 -6.798 2.809 -0.229 1.00 71.31 H new ATOM 0 HD22 LEU A 80 -6.106 1.766 -1.494 1.00 71.31 H new ATOM 0 HD23 LEU A 80 -7.822 1.608 -1.050 1.00 71.31 H new ATOM 579 N HIS A 81 -7.083 -2.154 -2.872 1.00 5.02 N ATOM 580 CA HIS A 81 -6.804 -3.223 -3.814 1.00 70.03 C ATOM 581 C HIS A 81 -5.454 -3.827 -3.431 1.00 64.12 C ATOM 582 O HIS A 81 -4.558 -3.077 -3.035 1.00 61.51 O ATOM 583 CB HIS A 81 -6.722 -2.624 -5.213 1.00 50.21 C ATOM 584 CG HIS A 81 -6.748 -3.632 -6.313 1.00 4.21 C ATOM 585 ND1 HIS A 81 -5.634 -4.219 -6.904 1.00 24.31 N ATOM 586 CD2 HIS A 81 -7.880 -4.105 -6.894 1.00 21.31 C ATOM 587 CE1 HIS A 81 -6.128 -5.016 -7.868 1.00 22.05 C ATOM 588 NE2 HIS A 81 -7.468 -4.960 -7.884 1.00 62.50 N ATOM 0 H HIS A 81 -6.882 -1.225 -3.241 1.00 5.02 H new ATOM 0 HA HIS A 81 -7.581 -3.988 -3.795 1.00 70.03 H new ATOM 0 HB2 HIS A 81 -7.554 -1.933 -5.349 1.00 50.21 H new ATOM 0 HB3 HIS A 81 -5.805 -2.040 -5.293 1.00 50.21 H new ATOM 0 HD2 HIS A 81 -8.898 -3.858 -6.630 1.00 21.31 H new ATOM 0 HE1 HIS A 81 -5.529 -5.617 -8.536 1.00 22.05 H new ATOM 0 HE2 HIS A 81 -8.078 -5.468 -8.525 1.00 62.50 H new ATOM 596 N PRO A 82 -5.248 -5.142 -3.568 1.00 24.24 N ATOM 597 CA PRO A 82 -3.984 -5.766 -3.201 1.00 53.12 C ATOM 598 C PRO A 82 -2.830 -5.298 -4.086 1.00 1.44 C ATOM 599 O PRO A 82 -1.688 -5.214 -3.631 1.00 1.13 O ATOM 600 CB PRO A 82 -4.229 -7.272 -3.322 1.00 41.34 C ATOM 601 CG PRO A 82 -5.363 -7.373 -4.340 1.00 14.12 C ATOM 602 CD PRO A 82 -6.198 -6.127 -4.040 1.00 64.51 C ATOM 0 HA PRO A 82 -3.682 -5.489 -2.191 1.00 53.12 H new ATOM 0 HB2 PRO A 82 -3.337 -7.797 -3.663 1.00 41.34 H new ATOM 0 HB3 PRO A 82 -4.510 -7.710 -2.364 1.00 41.34 H new ATOM 0 HG2 PRO A 82 -4.989 -7.373 -5.364 1.00 14.12 H new ATOM 0 HG3 PRO A 82 -5.941 -8.288 -4.212 1.00 14.12 H new ATOM 0 HD2 PRO A 82 -6.719 -5.777 -4.931 1.00 64.51 H new ATOM 0 HD3 PRO A 82 -6.959 -6.334 -3.287 1.00 64.51 H new ATOM 610 N GLU A 83 -3.116 -4.940 -5.338 1.00 52.44 N ATOM 611 CA GLU A 83 -2.087 -4.513 -6.263 1.00 61.22 C ATOM 612 C GLU A 83 -1.595 -3.097 -5.976 1.00 75.03 C ATOM 613 O GLU A 83 -0.386 -2.851 -6.029 1.00 63.03 O ATOM 614 CB GLU A 83 -2.611 -4.687 -7.704 1.00 70.43 C ATOM 615 CG GLU A 83 -1.611 -5.340 -8.653 1.00 71.21 C ATOM 616 CD GLU A 83 -1.272 -6.754 -8.176 1.00 64.21 C ATOM 617 OE1 GLU A 83 -2.049 -7.703 -8.462 1.00 4.33 O ATOM 618 OE2 GLU A 83 -0.274 -6.912 -7.447 1.00 0.31 O ATOM 0 H GLU A 83 -4.058 -4.940 -5.728 1.00 52.44 H new ATOM 0 HA GLU A 83 -1.206 -5.142 -6.134 1.00 61.22 H new ATOM 0 HB2 GLU A 83 -3.519 -5.289 -7.679 1.00 70.43 H new ATOM 0 HB3 GLU A 83 -2.887 -3.710 -8.100 1.00 70.43 H new ATOM 0 HG2 GLU A 83 -2.026 -5.378 -9.660 1.00 71.21 H new ATOM 0 HG3 GLU A 83 -0.703 -4.739 -8.705 1.00 71.21 H new ATOM 625 N GLN A 84 -2.515 -2.179 -5.657 1.00 23.13 N ATOM 626 CA GLN A 84 -2.177 -0.792 -5.344 1.00 0.51 C ATOM 627 C GLN A 84 -1.304 -0.735 -4.085 1.00 52.35 C ATOM 628 O GLN A 84 -0.395 0.092 -3.989 1.00 63.31 O ATOM 629 CB GLN A 84 -3.444 0.019 -5.052 1.00 42.55 C ATOM 630 CG GLN A 84 -4.442 0.207 -6.196 1.00 73.32 C ATOM 631 CD GLN A 84 -5.671 0.948 -5.661 1.00 33.22 C ATOM 632 OE1 GLN A 84 -6.741 0.393 -5.427 1.00 41.23 O ATOM 633 NE2 GLN A 84 -5.523 2.214 -5.344 1.00 32.33 N ATOM 0 H GLN A 84 -3.514 -2.380 -5.610 1.00 23.13 H new ATOM 0 HA GLN A 84 -1.650 -0.379 -6.204 1.00 0.51 H new ATOM 0 HB2 GLN A 84 -3.967 -0.461 -4.225 1.00 42.55 H new ATOM 0 HB3 GLN A 84 -3.139 1.007 -4.706 1.00 42.55 H new ATOM 0 HG2 GLN A 84 -3.984 0.772 -7.008 1.00 73.32 H new ATOM 0 HG3 GLN A 84 -4.733 -0.760 -6.606 1.00 73.32 H new ATOM 0 HE21 GLN A 84 -4.639 2.687 -5.533 1.00 32.33 H new ATOM 0 HE22 GLN A 84 -6.292 2.724 -4.909 1.00 32.33 H new ATOM 642 N ILE A 85 -1.552 -1.630 -3.121 1.00 21.20 N ATOM 643 CA ILE A 85 -0.802 -1.684 -1.877 1.00 20.34 C ATOM 644 C ILE A 85 0.683 -1.851 -2.190 1.00 53.24 C ATOM 645 O ILE A 85 1.468 -0.982 -1.836 1.00 72.32 O ATOM 646 CB ILE A 85 -1.348 -2.781 -0.954 1.00 65.23 C ATOM 647 CG1 ILE A 85 -2.734 -2.397 -0.409 1.00 2.50 C ATOM 648 CG2 ILE A 85 -0.387 -3.001 0.219 1.00 61.34 C ATOM 649 CD1 ILE A 85 -3.436 -3.609 0.197 1.00 13.42 C ATOM 0 H ILE A 85 -2.284 -2.337 -3.190 1.00 21.20 H new ATOM 0 HA ILE A 85 -0.922 -0.748 -1.331 1.00 20.34 H new ATOM 0 HB ILE A 85 -1.440 -3.700 -1.534 1.00 65.23 H new ATOM 0 HG12 ILE A 85 -2.629 -1.617 0.346 1.00 2.50 H new ATOM 0 HG13 ILE A 85 -3.343 -1.983 -1.212 1.00 2.50 H new ATOM 0 HG21 ILE A 85 -0.781 -3.781 0.870 1.00 61.34 H new ATOM 0 HG22 ILE A 85 0.588 -3.304 -0.162 1.00 61.34 H new ATOM 0 HG23 ILE A 85 -0.284 -2.074 0.784 1.00 61.34 H new ATOM 0 HD11 ILE A 85 -4.414 -3.312 0.575 1.00 13.42 H new ATOM 0 HD12 ILE A 85 -3.561 -4.377 -0.567 1.00 13.42 H new ATOM 0 HD13 ILE A 85 -2.836 -4.006 1.016 1.00 13.42 H new ATOM 661 N ARG A 86 1.099 -2.925 -2.865 1.00 60.31 N ATOM 662 CA ARG A 86 2.520 -3.103 -3.177 1.00 1.00 C ATOM 663 C ARG A 86 3.126 -1.866 -3.860 1.00 72.32 C ATOM 664 O ARG A 86 4.259 -1.490 -3.553 1.00 65.22 O ATOM 665 CB ARG A 86 2.717 -4.417 -3.948 1.00 12.15 C ATOM 666 CG ARG A 86 4.123 -4.516 -4.552 1.00 62.02 C ATOM 667 CD ARG A 86 4.115 -3.911 -5.963 1.00 32.23 C ATOM 668 NE ARG A 86 5.406 -3.309 -6.308 1.00 64.42 N ATOM 669 CZ ARG A 86 6.374 -3.996 -6.953 1.00 11.11 C ATOM 670 NH1 ARG A 86 6.129 -5.203 -7.457 1.00 1.24 N ATOM 671 NH2 ARG A 86 7.603 -3.530 -7.091 1.00 73.54 N ATOM 0 H ARG A 86 0.488 -3.670 -3.200 1.00 60.31 H new ATOM 0 HA ARG A 86 3.086 -3.192 -2.249 1.00 1.00 H new ATOM 0 HB2 ARG A 86 2.549 -5.260 -3.278 1.00 12.15 H new ATOM 0 HB3 ARG A 86 1.974 -4.487 -4.742 1.00 12.15 H new ATOM 0 HG2 ARG A 86 4.839 -3.989 -3.922 1.00 62.02 H new ATOM 0 HG3 ARG A 86 4.441 -5.558 -4.593 1.00 62.02 H new ATOM 0 HD2 ARG A 86 3.871 -4.687 -6.689 1.00 32.23 H new ATOM 0 HD3 ARG A 86 3.333 -3.155 -6.029 1.00 32.23 H new ATOM 0 HE ARG A 86 5.580 -2.337 -6.052 1.00 64.42 H new ATOM 0 HH11 ARG A 86 5.203 -5.618 -7.358 1.00 1.24 H new ATOM 0 HH12 ARG A 86 6.867 -5.713 -7.942 1.00 1.24 H new ATOM 0 HH21 ARG A 86 7.850 -2.620 -6.703 1.00 73.54 H new ATOM 0 HH22 ARG A 86 8.305 -4.081 -7.585 1.00 73.54 H new ATOM 685 N TYR A 87 2.403 -1.231 -4.786 1.00 31.23 N ATOM 686 CA TYR A 87 2.927 -0.058 -5.472 1.00 24.10 C ATOM 687 C TYR A 87 3.203 1.079 -4.486 1.00 73.30 C ATOM 688 O TYR A 87 4.253 1.733 -4.513 1.00 34.43 O ATOM 689 CB TYR A 87 1.941 0.388 -6.566 1.00 41.44 C ATOM 690 CG TYR A 87 2.481 1.515 -7.416 1.00 32.30 C ATOM 691 CD1 TYR A 87 3.735 1.378 -8.037 1.00 30.14 C ATOM 692 CD2 TYR A 87 1.753 2.712 -7.561 1.00 44.03 C ATOM 693 CE1 TYR A 87 4.259 2.424 -8.803 1.00 63.11 C ATOM 694 CE2 TYR A 87 2.283 3.771 -8.319 1.00 24.34 C ATOM 695 CZ TYR A 87 3.547 3.638 -8.932 1.00 74.23 C ATOM 696 OH TYR A 87 4.067 4.680 -9.637 1.00 22.14 O ATOM 0 H TYR A 87 1.464 -1.509 -5.072 1.00 31.23 H new ATOM 0 HA TYR A 87 3.876 -0.321 -5.940 1.00 24.10 H new ATOM 0 HB2 TYR A 87 1.706 -0.463 -7.205 1.00 41.44 H new ATOM 0 HB3 TYR A 87 1.008 0.705 -6.101 1.00 41.44 H new ATOM 0 HD1 TYR A 87 4.295 0.462 -7.922 1.00 30.14 H new ATOM 0 HD2 TYR A 87 0.787 2.816 -7.090 1.00 44.03 H new ATOM 0 HE1 TYR A 87 5.211 2.304 -9.298 1.00 63.11 H new ATOM 0 HE2 TYR A 87 1.722 4.687 -8.432 1.00 24.34 H new ATOM 0 HH TYR A 87 3.439 5.432 -9.620 1.00 22.14 H new ATOM 706 N SER A 88 2.224 1.317 -3.624 1.00 51.21 N ATOM 707 CA SER A 88 2.280 2.367 -2.632 1.00 30.40 C ATOM 708 C SER A 88 3.418 2.068 -1.675 1.00 64.41 C ATOM 709 O SER A 88 4.224 2.951 -1.448 1.00 40.44 O ATOM 710 CB SER A 88 0.906 2.645 -2.018 1.00 43.01 C ATOM 711 OG SER A 88 0.214 1.500 -1.572 1.00 51.34 O ATOM 0 H SER A 88 1.360 0.776 -3.599 1.00 51.21 H new ATOM 0 HA SER A 88 2.522 3.330 -3.081 1.00 30.40 H new ATOM 0 HB2 SER A 88 1.031 3.327 -1.177 1.00 43.01 H new ATOM 0 HB3 SER A 88 0.291 3.159 -2.757 1.00 43.01 H new ATOM 0 HG SER A 88 0.784 0.710 -1.681 1.00 51.34 H new ATOM 717 N LEU A 89 3.567 0.827 -1.209 1.00 12.32 N ATOM 718 CA LEU A 89 4.648 0.417 -0.313 1.00 61.02 C ATOM 719 C LEU A 89 6.002 0.730 -0.956 1.00 42.40 C ATOM 720 O LEU A 89 6.914 1.126 -0.243 1.00 22.41 O ATOM 721 CB LEU A 89 4.550 -1.083 -0.022 1.00 34.32 C ATOM 722 CG LEU A 89 3.324 -1.488 0.797 1.00 73.13 C ATOM 723 CD1 LEU A 89 3.186 -3.003 0.782 1.00 44.34 C ATOM 724 CD2 LEU A 89 3.428 -1.000 2.230 1.00 74.52 C ATOM 0 H LEU A 89 2.930 0.067 -1.448 1.00 12.32 H new ATOM 0 HA LEU A 89 4.558 0.967 0.624 1.00 61.02 H new ATOM 0 HB2 LEU A 89 4.535 -1.624 -0.968 1.00 34.32 H new ATOM 0 HB3 LEU A 89 5.448 -1.397 0.511 1.00 34.32 H new ATOM 0 HG LEU A 89 2.445 -1.026 0.347 1.00 73.13 H new ATOM 0 HD11 LEU A 89 2.313 -3.295 1.365 1.00 44.34 H new ATOM 0 HD12 LEU A 89 3.068 -3.347 -0.245 1.00 44.34 H new ATOM 0 HD13 LEU A 89 4.079 -3.454 1.215 1.00 44.34 H new ATOM 0 HD21 LEU A 89 2.540 -1.305 2.784 1.00 74.52 H new ATOM 0 HD22 LEU A 89 4.313 -1.431 2.698 1.00 74.52 H new ATOM 0 HD23 LEU A 89 3.506 0.087 2.239 1.00 74.52 H new ATOM 736 N GLU A 90 6.175 0.533 -2.270 1.00 61.11 N ATOM 737 CA GLU A 90 7.453 0.847 -2.923 1.00 73.14 C ATOM 738 C GLU A 90 7.667 2.361 -2.957 1.00 52.35 C ATOM 739 O GLU A 90 8.800 2.829 -2.863 1.00 51.24 O ATOM 740 CB GLU A 90 7.492 0.283 -4.356 1.00 10.03 C ATOM 741 CG GLU A 90 8.137 -1.110 -4.407 1.00 42.44 C ATOM 742 CD GLU A 90 9.466 -1.189 -5.176 1.00 42.21 C ATOM 743 OE1 GLU A 90 10.344 -0.293 -5.150 1.00 31.45 O ATOM 744 OE2 GLU A 90 9.649 -2.227 -5.852 1.00 10.33 O ATOM 0 H GLU A 90 5.458 0.163 -2.894 1.00 61.11 H new ATOM 0 HA GLU A 90 8.253 0.382 -2.347 1.00 73.14 H new ATOM 0 HB2 GLU A 90 6.478 0.228 -4.752 1.00 10.03 H new ATOM 0 HB3 GLU A 90 8.049 0.964 -4.999 1.00 10.03 H new ATOM 0 HG2 GLU A 90 8.306 -1.452 -3.386 1.00 42.44 H new ATOM 0 HG3 GLU A 90 7.430 -1.803 -4.863 1.00 42.44 H new ATOM 751 N ASN A 91 6.591 3.132 -3.119 1.00 3.31 N ATOM 752 CA ASN A 91 6.651 4.593 -3.162 1.00 5.52 C ATOM 753 C ASN A 91 6.929 5.186 -1.773 1.00 71.23 C ATOM 754 O ASN A 91 7.773 6.071 -1.650 1.00 14.31 O ATOM 755 CB ASN A 91 5.334 5.201 -3.695 1.00 21.45 C ATOM 756 CG ASN A 91 5.179 5.179 -5.210 1.00 42.33 C ATOM 757 OD1 ASN A 91 4.929 6.208 -5.831 1.00 45.41 O ATOM 758 ND2 ASN A 91 5.243 4.028 -5.849 1.00 22.44 N ATOM 0 H ASN A 91 5.648 2.758 -3.225 1.00 3.31 H new ATOM 0 HA ASN A 91 7.468 4.844 -3.838 1.00 5.52 H new ATOM 0 HB2 ASN A 91 4.497 4.661 -3.252 1.00 21.45 H new ATOM 0 HB3 ASN A 91 5.264 6.234 -3.353 1.00 21.45 H new ATOM 0 HD21 ASN A 91 5.085 3.994 -6.856 1.00 22.44 H new ATOM 0 HD22 ASN A 91 5.451 3.171 -5.336 1.00 22.44 H new ATOM 765 N THR A 92 6.214 4.736 -0.739 1.00 52.13 N ATOM 766 CA THR A 92 6.280 5.181 0.650 1.00 64.23 C ATOM 767 C THR A 92 7.463 4.597 1.423 1.00 63.53 C ATOM 768 O THR A 92 8.048 5.276 2.262 1.00 0.10 O ATOM 769 CB THR A 92 4.945 4.801 1.316 1.00 5.35 C ATOM 770 OG1 THR A 92 4.789 3.400 1.361 1.00 40.32 O ATOM 771 CG2 THR A 92 3.733 5.414 0.611 1.00 30.33 C ATOM 0 H THR A 92 5.523 3.996 -0.863 1.00 52.13 H new ATOM 0 HA THR A 92 6.440 6.259 0.665 1.00 64.23 H new ATOM 0 HB THR A 92 4.987 5.207 2.327 1.00 5.35 H new ATOM 0 HG1 THR A 92 3.901 3.181 1.713 1.00 40.32 H new ATOM 0 HG21 THR A 92 2.821 5.111 1.125 1.00 30.33 H new ATOM 0 HG22 THR A 92 3.814 6.501 0.627 1.00 30.33 H new ATOM 0 HG23 THR A 92 3.699 5.067 -0.422 1.00 30.33 H new ATOM 779 N GLY A 93 7.826 3.348 1.135 1.00 65.41 N ATOM 780 CA GLY A 93 8.922 2.618 1.747 1.00 23.43 C ATOM 781 C GLY A 93 8.536 1.948 3.058 1.00 1.33 C ATOM 782 O GLY A 93 9.277 1.073 3.521 1.00 31.12 O ATOM 0 H GLY A 93 7.335 2.795 0.432 1.00 65.41 H new ATOM 0 HA2 GLY A 93 9.279 1.860 1.050 1.00 23.43 H new ATOM 0 HA3 GLY A 93 9.751 3.303 1.926 1.00 23.43 H new ATOM 786 N SER A 94 7.375 2.279 3.635 1.00 51.03 N ATOM 787 CA SER A 94 6.910 1.720 4.885 1.00 30.14 C ATOM 788 C SER A 94 5.401 1.523 4.894 1.00 43.42 C ATOM 789 O SER A 94 4.645 2.317 4.336 1.00 5.55 O ATOM 790 CB SER A 94 7.234 2.680 6.038 1.00 72.31 C ATOM 791 OG SER A 94 8.554 3.183 6.062 1.00 24.22 O ATOM 0 H SER A 94 6.729 2.956 3.229 1.00 51.03 H new ATOM 0 HA SER A 94 7.410 0.759 5.002 1.00 30.14 H new ATOM 0 HB2 SER A 94 6.544 3.523 5.990 1.00 72.31 H new ATOM 0 HB3 SER A 94 7.043 2.165 6.980 1.00 72.31 H new ATOM 0 HG SER A 94 8.661 3.784 6.829 1.00 24.22 H new ATOM 797 N VAL A 95 4.974 0.469 5.579 1.00 43.41 N ATOM 798 CA VAL A 95 3.574 0.115 5.769 1.00 65.11 C ATOM 799 C VAL A 95 2.935 1.233 6.584 1.00 12.32 C ATOM 800 O VAL A 95 1.890 1.726 6.179 1.00 65.42 O ATOM 801 CB VAL A 95 3.466 -1.227 6.515 1.00 52.32 C ATOM 802 CG1 VAL A 95 2.085 -1.506 7.109 1.00 3.21 C ATOM 803 CG2 VAL A 95 3.891 -2.388 5.619 1.00 13.45 C ATOM 0 H VAL A 95 5.614 -0.183 6.032 1.00 43.41 H new ATOM 0 HA VAL A 95 3.066 0.002 4.811 1.00 65.11 H new ATOM 0 HB VAL A 95 4.151 -1.139 7.358 1.00 52.32 H new ATOM 0 HG11 VAL A 95 2.095 -2.470 7.617 1.00 3.21 H new ATOM 0 HG12 VAL A 95 1.831 -0.723 7.823 1.00 3.21 H new ATOM 0 HG13 VAL A 95 1.343 -1.524 6.311 1.00 3.21 H new ATOM 0 HG21 VAL A 95 3.805 -3.324 6.171 1.00 13.45 H new ATOM 0 HG22 VAL A 95 3.247 -2.424 4.740 1.00 13.45 H new ATOM 0 HG23 VAL A 95 4.925 -2.246 5.305 1.00 13.45 H new ATOM 813 N GLU A 96 3.580 1.657 7.680 1.00 11.03 N ATOM 814 CA GLU A 96 3.105 2.705 8.576 1.00 4.21 C ATOM 815 C GLU A 96 2.604 3.926 7.796 1.00 12.23 C ATOM 816 O GLU A 96 1.507 4.407 8.072 1.00 51.35 O ATOM 817 CB GLU A 96 4.195 3.057 9.615 1.00 73.42 C ATOM 818 CG GLU A 96 5.340 3.930 9.074 1.00 14.44 C ATOM 819 CD GLU A 96 6.393 4.307 10.113 1.00 52.43 C ATOM 820 OE1 GLU A 96 6.023 4.826 11.186 1.00 10.42 O ATOM 821 OE2 GLU A 96 7.605 4.181 9.819 1.00 70.34 O ATOM 0 H GLU A 96 4.475 1.263 7.971 1.00 11.03 H new ATOM 0 HA GLU A 96 2.243 2.331 9.129 1.00 4.21 H new ATOM 0 HB2 GLU A 96 3.726 3.574 10.452 1.00 73.42 H new ATOM 0 HB3 GLU A 96 4.616 2.131 10.008 1.00 73.42 H new ATOM 0 HG2 GLU A 96 5.828 3.401 8.256 1.00 14.44 H new ATOM 0 HG3 GLU A 96 4.917 4.843 8.656 1.00 14.44 H new ATOM 828 N GLU A 97 3.384 4.360 6.801 1.00 64.14 N ATOM 829 CA GLU A 97 3.117 5.498 5.940 1.00 34.33 C ATOM 830 C GLU A 97 1.879 5.190 5.108 1.00 72.10 C ATOM 831 O GLU A 97 0.931 5.965 5.111 1.00 1.51 O ATOM 832 CB GLU A 97 4.367 5.759 5.080 1.00 30.44 C ATOM 833 CG GLU A 97 4.262 6.913 4.073 1.00 3.24 C ATOM 834 CD GLU A 97 4.089 8.301 4.683 1.00 44.14 C ATOM 835 OE1 GLU A 97 5.035 8.780 5.354 1.00 70.23 O ATOM 836 OE2 GLU A 97 3.070 8.952 4.351 1.00 55.53 O ATOM 0 H GLU A 97 4.263 3.897 6.569 1.00 64.14 H new ATOM 0 HA GLU A 97 2.914 6.405 6.509 1.00 34.33 H new ATOM 0 HB2 GLU A 97 5.206 5.959 5.746 1.00 30.44 H new ATOM 0 HB3 GLU A 97 4.605 4.846 4.533 1.00 30.44 H new ATOM 0 HG2 GLU A 97 5.160 6.916 3.455 1.00 3.24 H new ATOM 0 HG3 GLU A 97 3.419 6.719 3.410 1.00 3.24 H new ATOM 843 N THR A 98 1.874 4.055 4.406 1.00 75.24 N ATOM 844 CA THR A 98 0.772 3.595 3.567 1.00 10.31 C ATOM 845 C THR A 98 -0.543 3.530 4.356 1.00 30.10 C ATOM 846 O THR A 98 -1.600 3.873 3.830 1.00 32.15 O ATOM 847 CB THR A 98 1.173 2.251 2.950 1.00 51.54 C ATOM 848 OG1 THR A 98 2.413 2.418 2.295 1.00 42.20 O ATOM 849 CG2 THR A 98 0.197 1.787 1.879 1.00 30.41 C ATOM 0 H THR A 98 2.665 3.411 4.408 1.00 75.24 H new ATOM 0 HA THR A 98 0.584 4.305 2.761 1.00 10.31 H new ATOM 0 HB THR A 98 1.200 1.521 3.759 1.00 51.54 H new ATOM 0 HG1 THR A 98 2.407 1.919 1.451 1.00 42.20 H new ATOM 0 HG21 THR A 98 0.528 0.830 1.475 1.00 30.41 H new ATOM 0 HG22 THR A 98 -0.795 1.673 2.316 1.00 30.41 H new ATOM 0 HG23 THR A 98 0.158 2.525 1.078 1.00 30.41 H new ATOM 857 N VAL A 99 -0.484 3.126 5.617 1.00 34.32 N ATOM 858 CA VAL A 99 -1.640 3.021 6.496 1.00 73.33 C ATOM 859 C VAL A 99 -2.094 4.425 6.912 1.00 62.41 C ATOM 860 O VAL A 99 -3.297 4.673 6.984 1.00 23.30 O ATOM 861 CB VAL A 99 -1.285 2.137 7.718 1.00 54.13 C ATOM 862 CG1 VAL A 99 -2.412 2.090 8.762 1.00 21.21 C ATOM 863 CG2 VAL A 99 -0.963 0.681 7.335 1.00 70.42 C ATOM 0 H VAL A 99 0.390 2.856 6.068 1.00 34.32 H new ATOM 0 HA VAL A 99 -2.470 2.544 5.975 1.00 73.33 H new ATOM 0 HB VAL A 99 -0.400 2.614 8.139 1.00 54.13 H new ATOM 0 HG11 VAL A 99 -2.109 1.457 9.596 1.00 21.21 H new ATOM 0 HG12 VAL A 99 -2.613 3.098 9.126 1.00 21.21 H new ATOM 0 HG13 VAL A 99 -3.314 1.682 8.306 1.00 21.21 H new ATOM 0 HG21 VAL A 99 -0.722 0.113 8.234 1.00 70.42 H new ATOM 0 HG22 VAL A 99 -1.828 0.234 6.844 1.00 70.42 H new ATOM 0 HG23 VAL A 99 -0.111 0.663 6.656 1.00 70.42 H new ATOM 873 N GLU A 100 -1.157 5.337 7.187 1.00 14.11 N ATOM 874 CA GLU A 100 -1.416 6.713 7.614 1.00 61.54 C ATOM 875 C GLU A 100 -2.135 7.472 6.502 1.00 33.15 C ATOM 876 O GLU A 100 -3.121 8.166 6.736 1.00 43.24 O ATOM 877 CB GLU A 100 -0.086 7.365 8.057 1.00 2.31 C ATOM 878 CG GLU A 100 0.247 6.931 9.496 1.00 2.02 C ATOM 879 CD GLU A 100 1.732 6.863 9.903 1.00 52.22 C ATOM 880 OE1 GLU A 100 2.641 7.351 9.198 1.00 33.21 O ATOM 881 OE2 GLU A 100 1.980 6.347 11.024 1.00 23.24 O ATOM 0 H GLU A 100 -0.161 5.129 7.115 1.00 14.11 H new ATOM 0 HA GLU A 100 -2.082 6.738 8.477 1.00 61.54 H new ATOM 0 HB2 GLU A 100 0.718 7.070 7.382 1.00 2.31 H new ATOM 0 HB3 GLU A 100 -0.166 8.451 8.003 1.00 2.31 H new ATOM 0 HG2 GLU A 100 -0.255 7.618 10.177 1.00 2.02 H new ATOM 0 HG3 GLU A 100 -0.190 5.945 9.658 1.00 2.02 H new ATOM 888 N ARG A 101 -1.675 7.315 5.265 1.00 1.15 N ATOM 889 CA ARG A 101 -2.302 7.975 4.123 1.00 22.31 C ATOM 890 C ARG A 101 -3.622 7.301 3.762 1.00 51.32 C ATOM 891 O ARG A 101 -4.558 7.968 3.331 1.00 25.34 O ATOM 892 CB ARG A 101 -1.314 8.096 2.964 1.00 41.03 C ATOM 893 CG ARG A 101 -0.645 6.780 2.569 1.00 2.15 C ATOM 894 CD ARG A 101 0.810 7.003 2.193 1.00 4.23 C ATOM 895 NE ARG A 101 0.919 7.767 0.950 1.00 3.51 N ATOM 896 CZ ARG A 101 1.781 8.749 0.673 1.00 53.54 C ATOM 897 NH1 ARG A 101 2.611 9.215 1.605 1.00 63.13 N ATOM 898 NH2 ARG A 101 1.808 9.253 -0.558 1.00 2.25 N ATOM 0 H ARG A 101 -0.870 6.736 5.027 1.00 1.15 H new ATOM 0 HA ARG A 101 -2.567 8.998 4.391 1.00 22.31 H new ATOM 0 HB2 ARG A 101 -1.837 8.499 2.097 1.00 41.03 H new ATOM 0 HB3 ARG A 101 -0.542 8.816 3.234 1.00 41.03 H new ATOM 0 HG2 ARG A 101 -0.707 6.073 3.397 1.00 2.15 H new ATOM 0 HG3 ARG A 101 -1.178 6.334 1.729 1.00 2.15 H new ATOM 0 HD2 ARG A 101 1.320 7.535 2.997 1.00 4.23 H new ATOM 0 HD3 ARG A 101 1.311 6.042 2.078 1.00 4.23 H new ATOM 0 HE ARG A 101 0.261 7.522 0.210 1.00 3.51 H new ATOM 0 HH11 ARG A 101 2.594 8.821 2.546 1.00 63.13 H new ATOM 0 HH12 ARG A 101 3.263 9.965 1.378 1.00 63.13 H new ATOM 0 HH21 ARG A 101 1.177 8.889 -1.272 1.00 2.25 H new ATOM 0 HH22 ARG A 101 2.460 10.003 -0.788 1.00 2.25 H new ATOM 912 N TYR A 102 -3.736 5.993 3.959 1.00 51.02 N ATOM 913 CA TYR A 102 -4.956 5.253 3.679 1.00 34.31 C ATOM 914 C TYR A 102 -6.093 5.745 4.567 1.00 53.23 C ATOM 915 O TYR A 102 -7.156 6.117 4.064 1.00 31.02 O ATOM 916 CB TYR A 102 -4.704 3.773 3.947 1.00 11.12 C ATOM 917 CG TYR A 102 -5.935 2.991 4.341 1.00 62.54 C ATOM 918 CD1 TYR A 102 -6.967 2.807 3.407 1.00 51.43 C ATOM 919 CD2 TYR A 102 -6.104 2.578 5.677 1.00 15.14 C ATOM 920 CE1 TYR A 102 -8.165 2.198 3.801 1.00 55.33 C ATOM 921 CE2 TYR A 102 -7.311 1.983 6.081 1.00 31.31 C ATOM 922 CZ TYR A 102 -8.352 1.806 5.145 1.00 14.43 C ATOM 923 OH TYR A 102 -9.518 1.237 5.543 1.00 15.02 O ATOM 0 H TYR A 102 -2.978 5.414 4.320 1.00 51.02 H new ATOM 0 HA TYR A 102 -5.239 5.405 2.637 1.00 34.31 H new ATOM 0 HB2 TYR A 102 -4.273 3.323 3.053 1.00 11.12 H new ATOM 0 HB3 TYR A 102 -3.961 3.681 4.739 1.00 11.12 H new ATOM 0 HD1 TYR A 102 -6.837 3.135 2.386 1.00 51.43 H new ATOM 0 HD2 TYR A 102 -5.306 2.719 6.391 1.00 15.14 H new ATOM 0 HE1 TYR A 102 -8.947 2.028 3.076 1.00 55.33 H new ATOM 0 HE2 TYR A 102 -7.442 1.662 7.104 1.00 31.31 H new ATOM 0 HH TYR A 102 -9.471 1.030 6.500 1.00 15.02 H new ATOM 933 N LEU A 103 -5.881 5.747 5.886 1.00 71.43 N ATOM 934 CA LEU A 103 -6.907 6.178 6.824 1.00 22.24 C ATOM 935 C LEU A 103 -7.294 7.635 6.608 1.00 32.52 C ATOM 936 O LEU A 103 -8.432 7.990 6.928 1.00 61.10 O ATOM 937 CB LEU A 103 -6.507 5.864 8.274 1.00 1.44 C ATOM 938 CG LEU A 103 -5.224 6.528 8.807 1.00 12.13 C ATOM 939 CD1 LEU A 103 -5.424 7.959 9.313 1.00 33.22 C ATOM 940 CD2 LEU A 103 -4.669 5.682 9.958 1.00 61.15 C ATOM 0 H LEU A 103 -5.007 5.454 6.323 1.00 71.43 H new ATOM 0 HA LEU A 103 -7.809 5.599 6.624 1.00 22.24 H new ATOM 0 HB2 LEU A 103 -7.333 6.154 8.923 1.00 1.44 H new ATOM 0 HB3 LEU A 103 -6.393 4.784 8.367 1.00 1.44 H new ATOM 0 HG LEU A 103 -4.535 6.584 7.964 1.00 12.13 H new ATOM 0 HD11 LEU A 103 -4.473 8.355 9.671 1.00 33.22 H new ATOM 0 HD12 LEU A 103 -5.794 8.584 8.500 1.00 33.22 H new ATOM 0 HD13 LEU A 103 -6.147 7.959 10.129 1.00 33.22 H new ATOM 0 HD21 LEU A 103 -3.760 6.143 10.343 1.00 61.15 H new ATOM 0 HD22 LEU A 103 -5.410 5.621 10.755 1.00 61.15 H new ATOM 0 HD23 LEU A 103 -4.442 4.679 9.596 1.00 61.15 H new ATOM 952 N ARG A 104 -6.386 8.453 6.051 1.00 34.33 N ATOM 953 CA ARG A 104 -6.688 9.864 5.794 1.00 11.33 C ATOM 954 C ARG A 104 -7.478 10.006 4.495 1.00 52.35 C ATOM 955 O ARG A 104 -8.041 11.074 4.255 1.00 12.33 O ATOM 956 CB ARG A 104 -5.431 10.764 5.877 1.00 51.45 C ATOM 957 CG ARG A 104 -4.776 11.119 4.528 1.00 41.23 C ATOM 958 CD ARG A 104 -3.275 11.419 4.631 1.00 40.20 C ATOM 959 NE ARG A 104 -2.950 12.849 4.656 1.00 54.01 N ATOM 960 CZ ARG A 104 -1.713 13.341 4.509 1.00 35.41 C ATOM 961 NH1 ARG A 104 -0.669 12.518 4.411 1.00 3.33 N ATOM 962 NH2 ARG A 104 -1.511 14.647 4.446 1.00 34.24 N ATOM 0 H ARG A 104 -5.448 8.163 5.774 1.00 34.33 H new ATOM 0 HA ARG A 104 -7.331 10.234 6.592 1.00 11.33 H new ATOM 0 HB2 ARG A 104 -5.702 11.690 6.384 1.00 51.45 H new ATOM 0 HB3 ARG A 104 -4.689 10.265 6.500 1.00 51.45 H new ATOM 0 HG2 ARG A 104 -4.925 10.293 3.833 1.00 41.23 H new ATOM 0 HG3 ARG A 104 -5.283 11.987 4.105 1.00 41.23 H new ATOM 0 HD2 ARG A 104 -2.884 10.953 5.535 1.00 40.20 H new ATOM 0 HD3 ARG A 104 -2.764 10.956 3.787 1.00 40.20 H new ATOM 0 HE ARG A 104 -3.714 13.510 4.794 1.00 54.01 H new ATOM 0 HH11 ARG A 104 -0.810 11.508 4.448 1.00 3.33 H new ATOM 0 HH12 ARG A 104 0.271 12.898 4.299 1.00 3.33 H new ATOM 0 HH21 ARG A 104 -2.301 15.289 4.509 1.00 34.24 H new ATOM 0 HH22 ARG A 104 -0.565 15.012 4.334 1.00 34.24 H new ATOM 976 N GLY A 105 -7.579 8.951 3.678 1.00 50.52 N ATOM 977 CA GLY A 105 -8.305 8.973 2.422 1.00 35.03 C ATOM 978 C GLY A 105 -7.480 9.626 1.320 1.00 20.42 C ATOM 979 O GLY A 105 -8.038 10.380 0.522 1.00 22.30 O ATOM 0 H GLY A 105 -7.149 8.049 3.882 1.00 50.52 H new ATOM 0 HA2 GLY A 105 -8.564 7.955 2.131 1.00 35.03 H new ATOM 0 HA3 GLY A 105 -9.241 9.516 2.550 1.00 35.03 H new ATOM 983 N ASP A 106 -6.157 9.411 1.309 1.00 70.21 N ATOM 984 CA ASP A 106 -5.274 9.993 0.295 1.00 35.53 C ATOM 985 C ASP A 106 -5.418 9.276 -1.052 1.00 4.12 C ATOM 986 O ASP A 106 -6.253 8.385 -1.217 1.00 1.14 O ATOM 987 CB ASP A 106 -3.800 9.997 0.736 1.00 62.30 C ATOM 988 CG ASP A 106 -3.036 11.175 0.123 1.00 2.25 C ATOM 989 OD1 ASP A 106 -3.577 12.298 0.134 1.00 41.21 O ATOM 990 OD2 ASP A 106 -1.899 10.991 -0.375 1.00 22.31 O ATOM 0 H ASP A 106 -5.674 8.833 1.998 1.00 70.21 H new ATOM 0 HA ASP A 106 -5.588 11.030 0.175 1.00 35.53 H new ATOM 0 HB2 ASP A 106 -3.744 10.051 1.823 1.00 62.30 H new ATOM 0 HB3 ASP A 106 -3.327 9.061 0.439 1.00 62.30 H new ATOM 995 N GLU A 107 -4.602 9.665 -2.027 1.00 21.00 N ATOM 996 CA GLU A 107 -4.586 9.099 -3.364 1.00 71.14 C ATOM 997 C GLU A 107 -3.686 7.876 -3.433 1.00 72.10 C ATOM 998 O GLU A 107 -2.587 7.847 -2.863 1.00 1.44 O ATOM 999 CB GLU A 107 -4.224 10.195 -4.363 1.00 25.14 C ATOM 1000 CG GLU A 107 -2.818 10.775 -4.166 1.00 53.11 C ATOM 1001 CD GLU A 107 -2.560 12.006 -5.031 1.00 23.11 C ATOM 1002 OE1 GLU A 107 -3.350 12.977 -4.957 1.00 11.21 O ATOM 1003 OE2 GLU A 107 -1.498 12.073 -5.704 1.00 31.41 O ATOM 0 H GLU A 107 -3.913 10.407 -1.900 1.00 21.00 H new ATOM 0 HA GLU A 107 -5.577 8.732 -3.632 1.00 71.14 H new ATOM 0 HB2 GLU A 107 -4.302 9.793 -5.373 1.00 25.14 H new ATOM 0 HB3 GLU A 107 -4.953 11.001 -4.283 1.00 25.14 H new ATOM 0 HG2 GLU A 107 -2.682 11.039 -3.117 1.00 53.11 H new ATOM 0 HG3 GLU A 107 -2.078 10.010 -4.401 1.00 53.11 H new ATOM 1010 N PHE A 108 -4.179 6.868 -4.152 1.00 45.25 N ATOM 1011 CA PHE A 108 -3.524 5.596 -4.355 1.00 20.02 C ATOM 1012 C PHE A 108 -3.687 5.155 -5.801 1.00 75.43 C ATOM 1013 O PHE A 108 -4.780 4.798 -6.246 1.00 60.21 O ATOM 1014 CB PHE A 108 -4.134 4.547 -3.422 1.00 71.32 C ATOM 1015 CG PHE A 108 -3.707 4.647 -1.978 1.00 32.05 C ATOM 1016 CD1 PHE A 108 -4.350 5.530 -1.090 1.00 13.50 C ATOM 1017 CD2 PHE A 108 -2.677 3.815 -1.510 1.00 0.45 C ATOM 1018 CE1 PHE A 108 -3.961 5.585 0.254 1.00 54.50 C ATOM 1019 CE2 PHE A 108 -2.339 3.821 -0.151 1.00 61.34 C ATOM 1020 CZ PHE A 108 -2.980 4.702 0.731 1.00 1.45 C ATOM 0 H PHE A 108 -5.082 6.927 -4.623 1.00 45.25 H new ATOM 0 HA PHE A 108 -2.462 5.701 -4.132 1.00 20.02 H new ATOM 0 HB2 PHE A 108 -5.220 4.629 -3.470 1.00 71.32 H new ATOM 0 HB3 PHE A 108 -3.872 3.557 -3.794 1.00 71.32 H new ATOM 0 HD1 PHE A 108 -5.146 6.167 -1.446 1.00 13.50 H new ATOM 0 HD2 PHE A 108 -2.147 3.172 -2.197 1.00 0.45 H new ATOM 0 HE1 PHE A 108 -4.414 6.304 0.921 1.00 54.50 H new ATOM 0 HE2 PHE A 108 -1.582 3.145 0.219 1.00 61.34 H new ATOM 0 HZ PHE A 108 -2.719 4.701 1.779 1.00 1.45 H new ATOM 1030 N SER A 109 -2.585 5.178 -6.526 1.00 2.42 N ATOM 1031 CA SER A 109 -2.479 4.764 -7.917 1.00 3.44 C ATOM 1032 C SER A 109 -2.143 3.261 -7.988 1.00 35.45 C ATOM 1033 O SER A 109 -2.109 2.565 -6.967 1.00 42.11 O ATOM 1034 CB SER A 109 -1.474 5.665 -8.641 1.00 32.42 C ATOM 1035 OG SER A 109 -1.917 7.014 -8.625 1.00 33.51 O ATOM 0 H SER A 109 -1.696 5.501 -6.145 1.00 2.42 H new ATOM 0 HA SER A 109 -3.430 4.885 -8.436 1.00 3.44 H new ATOM 0 HB2 SER A 109 -0.498 5.590 -8.162 1.00 32.42 H new ATOM 0 HB3 SER A 109 -1.350 5.329 -9.670 1.00 32.42 H new ATOM 0 HG SER A 109 -1.264 7.578 -9.090 1.00 33.51 H new ATOM 1041 N PHE A 110 -2.008 2.730 -9.205 1.00 61.43 N ATOM 1042 CA PHE A 110 -1.708 1.334 -9.512 1.00 42.12 C ATOM 1043 C PHE A 110 -0.284 1.214 -10.082 1.00 71.45 C ATOM 1044 O PHE A 110 0.248 2.197 -10.606 1.00 40.24 O ATOM 1045 CB PHE A 110 -2.757 0.810 -10.511 1.00 2.43 C ATOM 1046 CG PHE A 110 -4.101 0.470 -9.890 1.00 31.12 C ATOM 1047 CD1 PHE A 110 -5.017 1.492 -9.575 1.00 41.30 C ATOM 1048 CD2 PHE A 110 -4.450 -0.873 -9.639 1.00 13.44 C ATOM 1049 CE1 PHE A 110 -6.275 1.169 -9.043 1.00 52.51 C ATOM 1050 CE2 PHE A 110 -5.715 -1.191 -9.113 1.00 4.43 C ATOM 1051 CZ PHE A 110 -6.632 -0.170 -8.815 1.00 74.33 C ATOM 0 H PHE A 110 -2.111 3.295 -10.048 1.00 61.43 H new ATOM 0 HA PHE A 110 -1.752 0.731 -8.605 1.00 42.12 H new ATOM 0 HB2 PHE A 110 -2.909 1.560 -11.287 1.00 2.43 H new ATOM 0 HB3 PHE A 110 -2.362 -0.080 -11.001 1.00 2.43 H new ATOM 0 HD1 PHE A 110 -4.751 2.525 -9.743 1.00 41.30 H new ATOM 0 HD2 PHE A 110 -3.743 -1.661 -9.852 1.00 13.44 H new ATOM 0 HE1 PHE A 110 -6.975 1.957 -8.807 1.00 52.51 H new ATOM 0 HE2 PHE A 110 -5.982 -2.223 -8.938 1.00 4.43 H new ATOM 0 HZ PHE A 110 -7.605 -0.413 -8.413 1.00 74.33 H new ATOM 1061 N PRO A 111 0.332 0.018 -10.029 1.00 0.50 N ATOM 1062 CA PRO A 111 1.688 -0.217 -10.527 1.00 52.01 C ATOM 1063 C PRO A 111 1.807 -0.300 -12.057 1.00 12.41 C ATOM 1064 O PRO A 111 0.798 -0.447 -12.754 1.00 55.32 O ATOM 1065 CB PRO A 111 2.084 -1.578 -9.940 1.00 2.24 C ATOM 1066 CG PRO A 111 0.756 -2.305 -9.773 1.00 74.44 C ATOM 1067 CD PRO A 111 -0.218 -1.190 -9.427 1.00 23.41 C ATOM 0 HA PRO A 111 2.322 0.620 -10.235 1.00 52.01 H new ATOM 0 HB2 PRO A 111 2.755 -2.120 -10.606 1.00 2.24 H new ATOM 0 HB3 PRO A 111 2.601 -1.467 -8.987 1.00 2.24 H new ATOM 0 HG2 PRO A 111 0.465 -2.823 -10.686 1.00 74.44 H new ATOM 0 HG3 PRO A 111 0.805 -3.054 -8.983 1.00 74.44 H new ATOM 0 HD2 PRO A 111 -1.213 -1.404 -9.818 1.00 23.41 H new ATOM 0 HD3 PRO A 111 -0.317 -1.079 -8.347 1.00 23.41 H new ATOM 1075 N PRO A 112 3.042 -0.244 -12.595 1.00 14.04 N ATOM 1076 CA PRO A 112 3.279 -0.366 -14.028 1.00 30.02 C ATOM 1077 C PRO A 112 2.929 -1.806 -14.423 1.00 72.32 C ATOM 1078 O PRO A 112 3.302 -2.761 -13.732 1.00 41.43 O ATOM 1079 CB PRO A 112 4.762 -0.049 -14.235 1.00 62.22 C ATOM 1080 CG PRO A 112 5.395 -0.398 -12.890 1.00 75.43 C ATOM 1081 CD PRO A 112 4.302 -0.059 -11.884 1.00 72.02 C ATOM 0 HA PRO A 112 2.679 0.307 -14.641 1.00 30.02 H new ATOM 0 HB2 PRO A 112 5.189 -0.641 -15.045 1.00 62.22 H new ATOM 0 HB3 PRO A 112 4.916 0.999 -14.491 1.00 62.22 H new ATOM 0 HG2 PRO A 112 5.675 -1.450 -12.839 1.00 75.43 H new ATOM 0 HG3 PRO A 112 6.300 0.182 -12.710 1.00 75.43 H new ATOM 0 HD2 PRO A 112 4.358 -0.709 -11.011 1.00 72.02 H new ATOM 0 HD3 PRO A 112 4.403 0.966 -11.526 1.00 72.02 H new ATOM 1089 N GLY A 113 2.242 -1.976 -15.547 1.00 65.11 N ATOM 1090 CA GLY A 113 1.799 -3.260 -16.068 1.00 50.24 C ATOM 1091 C GLY A 113 0.325 -3.504 -15.747 1.00 10.44 C ATOM 1092 O GLY A 113 -0.235 -4.484 -16.227 1.00 44.34 O ATOM 0 H GLY A 113 1.969 -1.193 -16.141 1.00 65.11 H new ATOM 0 HA2 GLY A 113 1.949 -3.290 -17.147 1.00 50.24 H new ATOM 0 HA3 GLY A 113 2.405 -4.059 -15.640 1.00 50.24 H new ATOM 1096 N PHE A 114 -0.310 -2.688 -14.895 1.00 71.02 N ATOM 1097 CA PHE A 114 -1.726 -2.866 -14.581 1.00 24.15 C ATOM 1098 C PHE A 114 -2.591 -2.330 -15.733 1.00 24.51 C ATOM 1099 O PHE A 114 -3.716 -2.789 -15.933 1.00 31.44 O ATOM 1100 CB PHE A 114 -2.049 -2.159 -13.262 1.00 14.23 C ATOM 1101 CG PHE A 114 -3.475 -2.389 -12.806 1.00 23.33 C ATOM 1102 CD1 PHE A 114 -3.809 -3.551 -12.082 1.00 2.11 C ATOM 1103 CD2 PHE A 114 -4.478 -1.467 -13.159 1.00 0.20 C ATOM 1104 CE1 PHE A 114 -5.142 -3.780 -11.698 1.00 24.33 C ATOM 1105 CE2 PHE A 114 -5.810 -1.696 -12.769 1.00 45.11 C ATOM 1106 CZ PHE A 114 -6.141 -2.851 -12.036 1.00 2.20 C ATOM 0 H PHE A 114 0.134 -1.905 -14.416 1.00 71.02 H new ATOM 0 HA PHE A 114 -1.948 -3.927 -14.464 1.00 24.15 H new ATOM 0 HB2 PHE A 114 -1.364 -2.510 -12.490 1.00 14.23 H new ATOM 0 HB3 PHE A 114 -1.877 -1.089 -13.377 1.00 14.23 H new ATOM 0 HD1 PHE A 114 -3.042 -4.265 -11.822 1.00 2.11 H new ATOM 0 HD2 PHE A 114 -4.225 -0.585 -13.729 1.00 0.20 H new ATOM 0 HE1 PHE A 114 -5.398 -4.670 -11.143 1.00 24.33 H new ATOM 0 HE2 PHE A 114 -6.579 -0.985 -13.032 1.00 45.11 H new ATOM 0 HZ PHE A 114 -7.163 -3.024 -11.733 1.00 2.20 H new ATOM 1116 N GLU A 115 -2.081 -1.332 -16.458 1.00 42.01 N ATOM 1117 CA GLU A 115 -2.732 -0.695 -17.591 1.00 60.13 C ATOM 1118 C GLU A 115 -2.204 -1.318 -18.880 1.00 12.13 C ATOM 1119 O GLU A 115 -0.967 -1.400 -19.041 1.00 2.55 O ATOM 1120 CB GLU A 115 -2.594 0.838 -17.528 1.00 33.52 C ATOM 1121 CG GLU A 115 -1.147 1.359 -17.522 1.00 31.40 C ATOM 1122 CD GLU A 115 -1.025 2.881 -17.422 1.00 50.40 C ATOM 1123 OE1 GLU A 115 -2.022 3.586 -17.148 1.00 63.12 O ATOM 1124 OE2 GLU A 115 0.086 3.422 -17.636 1.00 2.53 O ATOM 0 H GLU A 115 -1.164 -0.933 -16.258 1.00 42.01 H new ATOM 0 HA GLU A 115 -3.806 -0.876 -17.561 1.00 60.13 H new ATOM 0 HB2 GLU A 115 -3.117 1.270 -18.381 1.00 33.52 H new ATOM 0 HB3 GLU A 115 -3.098 1.197 -16.630 1.00 33.52 H new ATOM 0 HG2 GLU A 115 -0.615 0.908 -16.685 1.00 31.40 H new ATOM 0 HG3 GLU A 115 -0.650 1.026 -18.433 1.00 31.40 H new TER 1131 GLU A 115