USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 25 THR OG1 : rot -111:sc= -0.24 USER MOD Set 1.2: A 28 GLN : amide:sc= -1.19! K(o=-1.4!,f=-2.5) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0909 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 0.544 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.67) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -140:sc= 0 USER MOD Single : A 40 SER OG : rot -21:sc= 1.18 USER MOD Single : A 41 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.13) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -150:sc= -1.24 (180deg=-1.92) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.315 X(o=-0.31,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 141:sc= 0 (180deg=-1.08) USER MOD Single : A 62 GLN : amide:sc= -2.11 K(o=-2.1,f=-9.5!) USER MOD Single : A 66 GLN : amide:sc= -0.722 K(o=-0.72,f=0) USER MOD Single : A 67 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.6!) USER MOD Single : A 68 THR OG1 : rot 85:sc= 1.14 USER MOD Single : A 74 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0215) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.655 -36.452 -29.597 1.00 0.00 N ATOM 2 CA GLY A 1 6.266 -37.130 -28.374 1.00 0.00 C ATOM 3 C GLY A 1 4.804 -37.528 -28.371 1.00 0.00 C ATOM 4 O GLY A 1 4.032 -37.086 -29.223 1.00 0.00 O ATOM 0 H1 GLY A 1 7.347 -37.034 -30.112 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.816 -36.303 -30.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.081 -35.533 -29.364 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.882 -38.020 -28.244 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.464 -36.479 -27.523 1.00 0.00 H new ATOM 8 N SER A 2 4.422 -38.365 -27.413 1.00 0.00 N ATOM 9 CA SER A 2 3.043 -38.827 -27.306 1.00 0.00 C ATOM 10 C SER A 2 2.710 -39.218 -25.869 1.00 0.00 C ATOM 11 O SER A 2 3.195 -40.228 -25.361 1.00 0.00 O ATOM 12 CB SER A 2 2.808 -40.018 -28.238 1.00 0.00 C ATOM 13 OG SER A 2 2.654 -39.593 -29.580 1.00 0.00 O ATOM 0 H SER A 2 5.048 -38.738 -26.699 1.00 0.00 H new ATOM 0 HA SER A 2 2.388 -38.008 -27.602 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.647 -40.710 -28.167 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.918 -40.562 -27.921 1.00 0.00 H new ATOM 0 HG SER A 2 2.969 -38.669 -29.669 1.00 0.00 H new ATOM 19 N SER A 3 1.878 -38.409 -25.221 1.00 0.00 N ATOM 20 CA SER A 3 1.483 -38.666 -23.841 1.00 0.00 C ATOM 21 C SER A 3 -0.006 -38.396 -23.643 1.00 0.00 C ATOM 22 O SER A 3 -0.552 -37.438 -24.188 1.00 0.00 O ATOM 23 CB SER A 3 2.301 -37.798 -22.883 1.00 0.00 C ATOM 24 OG SER A 3 2.313 -38.350 -21.578 1.00 0.00 O ATOM 0 H SER A 3 1.465 -37.571 -25.629 1.00 0.00 H new ATOM 0 HA SER A 3 1.677 -39.716 -23.624 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.323 -37.707 -23.252 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.883 -36.792 -22.852 1.00 0.00 H new ATOM 0 HG SER A 3 2.844 -37.778 -20.986 1.00 0.00 H new ATOM 30 N GLY A 4 -0.657 -39.250 -22.859 1.00 0.00 N ATOM 31 CA GLY A 4 -2.076 -39.088 -22.603 1.00 0.00 C ATOM 32 C GLY A 4 -2.419 -37.702 -22.096 1.00 0.00 C ATOM 33 O GLY A 4 -1.748 -37.174 -21.209 1.00 0.00 O ATOM 0 H GLY A 4 -0.227 -40.051 -22.397 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.632 -39.284 -23.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.397 -39.829 -21.871 1.00 0.00 H new ATOM 37 N SER A 5 -3.466 -37.109 -22.661 1.00 0.00 N ATOM 38 CA SER A 5 -3.893 -35.772 -22.265 1.00 0.00 C ATOM 39 C SER A 5 -4.616 -35.809 -20.921 1.00 0.00 C ATOM 40 O SER A 5 -5.820 -36.058 -20.859 1.00 0.00 O ATOM 41 CB SER A 5 -4.808 -35.169 -23.332 1.00 0.00 C ATOM 42 OG SER A 5 -4.148 -35.092 -24.584 1.00 0.00 O ATOM 0 H SER A 5 -4.034 -37.533 -23.394 1.00 0.00 H new ATOM 0 HA SER A 5 -3.005 -35.149 -22.164 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.709 -35.775 -23.429 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.126 -34.173 -23.023 1.00 0.00 H new ATOM 0 HG SER A 5 -4.754 -34.705 -25.250 1.00 0.00 H new ATOM 48 N SER A 6 -3.872 -35.559 -19.849 1.00 0.00 N ATOM 49 CA SER A 6 -4.439 -35.568 -18.506 1.00 0.00 C ATOM 50 C SER A 6 -3.420 -35.077 -17.482 1.00 0.00 C ATOM 51 O SER A 6 -2.262 -34.827 -17.813 1.00 0.00 O ATOM 52 CB SER A 6 -4.912 -36.975 -18.137 1.00 0.00 C ATOM 53 OG SER A 6 -3.846 -37.906 -18.210 1.00 0.00 O ATOM 0 H SER A 6 -2.875 -35.348 -19.884 1.00 0.00 H new ATOM 0 HA SER A 6 -5.294 -34.891 -18.496 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.327 -36.970 -17.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.713 -37.281 -18.810 1.00 0.00 H new ATOM 0 HG SER A 6 -4.173 -38.798 -17.968 1.00 0.00 H new ATOM 59 N GLY A 7 -3.861 -34.940 -16.235 1.00 0.00 N ATOM 60 CA GLY A 7 -2.976 -34.480 -15.181 1.00 0.00 C ATOM 61 C GLY A 7 -3.412 -34.954 -13.809 1.00 0.00 C ATOM 62 O GLY A 7 -3.377 -36.149 -13.518 1.00 0.00 O ATOM 0 H GLY A 7 -4.816 -35.139 -15.936 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.965 -34.834 -15.380 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.940 -33.391 -15.191 1.00 0.00 H new ATOM 66 N GLY A 8 -3.823 -34.015 -12.963 1.00 0.00 N ATOM 67 CA GLY A 8 -4.260 -34.363 -11.624 1.00 0.00 C ATOM 68 C GLY A 8 -3.101 -34.529 -10.660 1.00 0.00 C ATOM 69 O GLY A 8 -1.938 -34.510 -11.066 1.00 0.00 O ATOM 0 H GLY A 8 -3.861 -33.019 -13.181 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.930 -33.589 -11.251 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.833 -35.290 -11.661 1.00 0.00 H new ATOM 73 N THR A 9 -3.417 -34.689 -9.379 1.00 0.00 N ATOM 74 CA THR A 9 -2.393 -34.855 -8.355 1.00 0.00 C ATOM 75 C THR A 9 -1.346 -35.876 -8.784 1.00 0.00 C ATOM 76 O THR A 9 -1.538 -36.605 -9.757 1.00 0.00 O ATOM 77 CB THR A 9 -3.008 -35.300 -7.014 1.00 0.00 C ATOM 78 OG1 THR A 9 -3.890 -36.408 -7.223 1.00 0.00 O ATOM 79 CG2 THR A 9 -3.769 -34.156 -6.361 1.00 0.00 C ATOM 0 H THR A 9 -4.374 -34.707 -9.026 1.00 0.00 H new ATOM 0 HA THR A 9 -1.916 -33.884 -8.224 1.00 0.00 H new ATOM 0 HB THR A 9 -2.197 -35.602 -6.351 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.275 -36.686 -6.366 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.194 -34.494 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.088 -33.325 -6.176 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.571 -33.828 -7.023 1.00 0.00 H new ATOM 87 N GLY A 10 -0.237 -35.924 -8.052 1.00 0.00 N ATOM 88 CA GLY A 10 0.824 -36.860 -8.374 1.00 0.00 C ATOM 89 C GLY A 10 2.202 -36.289 -8.104 1.00 0.00 C ATOM 90 O GLY A 10 3.023 -36.919 -7.438 1.00 0.00 O ATOM 0 H GLY A 10 -0.055 -35.331 -7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.691 -37.771 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.750 -37.141 -9.425 1.00 0.00 H new ATOM 94 N GLY A 11 2.458 -35.093 -8.625 1.00 0.00 N ATOM 95 CA GLY A 11 3.748 -34.458 -8.427 1.00 0.00 C ATOM 96 C GLY A 11 3.760 -33.531 -7.228 1.00 0.00 C ATOM 97 O GLY A 11 2.912 -33.639 -6.344 1.00 0.00 O ATOM 0 H GLY A 11 1.795 -34.552 -9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.511 -35.225 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.013 -33.894 -9.321 1.00 0.00 H new ATOM 101 N GLU A 12 4.726 -32.618 -7.198 1.00 0.00 N ATOM 102 CA GLU A 12 4.846 -31.670 -6.097 1.00 0.00 C ATOM 103 C GLU A 12 4.867 -30.234 -6.614 1.00 0.00 C ATOM 104 O GLU A 12 4.933 -30.000 -7.821 1.00 0.00 O ATOM 105 CB GLU A 12 6.115 -31.950 -5.289 1.00 0.00 C ATOM 106 CG GLU A 12 7.388 -31.892 -6.115 1.00 0.00 C ATOM 107 CD GLU A 12 8.640 -32.003 -5.267 1.00 0.00 C ATOM 108 OE1 GLU A 12 8.922 -31.057 -4.502 1.00 0.00 O ATOM 109 OE2 GLU A 12 9.337 -33.034 -5.368 1.00 0.00 O ATOM 0 H GLU A 12 5.436 -32.515 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 12 3.977 -31.793 -5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.186 -31.226 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.034 -32.936 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.378 -32.698 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.413 -30.955 -6.672 1.00 0.00 H new ATOM 116 N GLU A 13 4.809 -29.278 -5.693 1.00 0.00 N ATOM 117 CA GLU A 13 4.819 -27.866 -6.056 1.00 0.00 C ATOM 118 C GLU A 13 6.026 -27.538 -6.931 1.00 0.00 C ATOM 119 O GLU A 13 7.120 -28.074 -6.750 1.00 0.00 O ATOM 120 CB GLU A 13 4.834 -26.993 -4.800 1.00 0.00 C ATOM 121 CG GLU A 13 6.184 -26.953 -4.103 1.00 0.00 C ATOM 122 CD GLU A 13 6.536 -28.268 -3.436 1.00 0.00 C ATOM 123 OE1 GLU A 13 5.613 -28.950 -2.943 1.00 0.00 O ATOM 124 OE2 GLU A 13 7.735 -28.616 -3.407 1.00 0.00 O ATOM 0 H GLU A 13 4.755 -29.455 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 13 3.912 -27.657 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.544 -25.978 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.084 -27.364 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.956 -26.700 -4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.179 -26.160 -3.355 1.00 0.00 H new ATOM 131 N PRO A 14 5.824 -26.637 -7.904 1.00 0.00 N ATOM 132 CA PRO A 14 6.883 -26.217 -8.826 1.00 0.00 C ATOM 133 C PRO A 14 7.954 -25.378 -8.137 1.00 0.00 C ATOM 134 O PRO A 14 7.763 -24.186 -7.901 1.00 0.00 O ATOM 135 CB PRO A 14 6.135 -25.380 -9.867 1.00 0.00 C ATOM 136 CG PRO A 14 4.927 -24.879 -9.153 1.00 0.00 C ATOM 137 CD PRO A 14 4.546 -25.958 -8.177 1.00 0.00 C ATOM 0 HA PRO A 14 7.418 -27.068 -9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.750 -24.557 -10.230 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.862 -25.980 -10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.139 -23.943 -8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.115 -24.680 -9.852 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.110 -25.543 -7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.810 -26.642 -8.601 1.00 0.00 H new ATOM 145 N GLN A 15 9.078 -26.010 -7.816 1.00 0.00 N ATOM 146 CA GLN A 15 10.179 -25.320 -7.153 1.00 0.00 C ATOM 147 C GLN A 15 10.394 -23.935 -7.754 1.00 0.00 C ATOM 148 O GLN A 15 10.518 -22.947 -7.030 1.00 0.00 O ATOM 149 CB GLN A 15 11.464 -26.142 -7.264 1.00 0.00 C ATOM 150 CG GLN A 15 11.431 -27.435 -6.465 1.00 0.00 C ATOM 151 CD GLN A 15 12.679 -28.273 -6.658 1.00 0.00 C ATOM 152 OE1 GLN A 15 13.515 -27.974 -7.511 1.00 0.00 O ATOM 153 NE2 GLN A 15 12.812 -29.329 -5.865 1.00 0.00 N ATOM 0 H GLN A 15 9.251 -26.998 -8.004 1.00 0.00 H new ATOM 0 HA GLN A 15 9.920 -25.203 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.645 -26.377 -8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.304 -25.536 -6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.316 -27.201 -5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.558 -28.017 -6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.094 -29.540 -5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.632 -29.930 -5.949 1.00 0.00 H new ATOM 162 N ARG A 16 10.436 -23.870 -9.081 1.00 0.00 N ATOM 163 CA ARG A 16 10.638 -22.606 -9.778 1.00 0.00 C ATOM 164 C ARG A 16 9.596 -21.577 -9.349 1.00 0.00 C ATOM 165 O ARG A 16 8.434 -21.913 -9.119 1.00 0.00 O ATOM 166 CB ARG A 16 10.568 -22.818 -11.292 1.00 0.00 C ATOM 167 CG ARG A 16 11.352 -21.787 -12.087 1.00 0.00 C ATOM 168 CD ARG A 16 11.426 -22.158 -13.560 1.00 0.00 C ATOM 169 NE ARG A 16 12.485 -23.128 -13.827 1.00 0.00 N ATOM 170 CZ ARG A 16 12.753 -23.610 -15.036 1.00 0.00 C ATOM 171 NH1 ARG A 16 12.043 -23.213 -16.083 1.00 0.00 N ATOM 172 NH2 ARG A 16 13.732 -24.489 -15.199 1.00 0.00 N ATOM 0 H ARG A 16 10.333 -24.678 -9.695 1.00 0.00 H new ATOM 0 HA ARG A 16 11.626 -22.228 -9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.947 -23.812 -11.529 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.525 -22.791 -11.607 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.882 -20.809 -11.980 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.360 -21.702 -11.681 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.468 -22.570 -13.879 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.600 -21.259 -14.152 1.00 0.00 H new ATOM 0 HE ARG A 16 13.050 -23.453 -13.042 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.289 -22.536 -15.961 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.250 -23.584 -17.010 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.281 -24.796 -14.396 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.937 -24.858 -16.128 1.00 0.00 H new ATOM 186 N ASP A 17 10.020 -20.322 -9.244 1.00 0.00 N ATOM 187 CA ASP A 17 9.125 -19.243 -8.844 1.00 0.00 C ATOM 188 C ASP A 17 9.125 -18.124 -9.880 1.00 0.00 C ATOM 189 O ASP A 17 10.158 -17.509 -10.146 1.00 0.00 O ATOM 190 CB ASP A 17 9.536 -18.691 -7.478 1.00 0.00 C ATOM 191 CG ASP A 17 10.896 -18.023 -7.510 1.00 0.00 C ATOM 192 OD1 ASP A 17 11.908 -18.728 -7.314 1.00 0.00 O ATOM 193 OD2 ASP A 17 10.949 -16.794 -7.728 1.00 0.00 O ATOM 0 H ASP A 17 10.978 -20.027 -9.431 1.00 0.00 H new ATOM 0 HA ASP A 17 8.116 -19.648 -8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.789 -17.973 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.550 -19.503 -6.750 1.00 0.00 H new ATOM 198 N LYS A 18 7.960 -17.864 -10.463 1.00 0.00 N ATOM 199 CA LYS A 18 7.824 -16.819 -11.471 1.00 0.00 C ATOM 200 C LYS A 18 7.150 -15.582 -10.885 1.00 0.00 C ATOM 201 O LYS A 18 7.596 -14.457 -11.107 1.00 0.00 O ATOM 202 CB LYS A 18 7.018 -17.334 -12.665 1.00 0.00 C ATOM 203 CG LYS A 18 6.930 -16.344 -13.813 1.00 0.00 C ATOM 204 CD LYS A 18 6.026 -16.854 -14.922 1.00 0.00 C ATOM 205 CE LYS A 18 6.740 -17.870 -15.800 1.00 0.00 C ATOM 206 NZ LYS A 18 5.805 -18.544 -16.743 1.00 0.00 N ATOM 0 H LYS A 18 7.095 -18.363 -10.255 1.00 0.00 H new ATOM 0 HA LYS A 18 8.823 -16.542 -11.808 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.470 -18.257 -13.027 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.010 -17.582 -12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.552 -15.391 -13.444 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.927 -16.159 -14.212 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.136 -17.309 -14.487 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.690 -16.016 -15.533 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.528 -17.372 -16.364 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.223 -18.618 -15.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.331 -19.229 -17.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.067 -19.041 -16.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.363 -17.834 -17.361 1.00 0.00 H new ATOM 220 N ARG A 19 6.075 -15.800 -10.134 1.00 0.00 N ATOM 221 CA ARG A 19 5.340 -14.703 -9.516 1.00 0.00 C ATOM 222 C ARG A 19 6.253 -13.877 -8.614 1.00 0.00 C ATOM 223 O ARG A 19 5.984 -12.706 -8.346 1.00 0.00 O ATOM 224 CB ARG A 19 4.159 -15.243 -8.708 1.00 0.00 C ATOM 225 CG ARG A 19 3.416 -14.173 -7.925 1.00 0.00 C ATOM 226 CD ARG A 19 2.360 -14.780 -7.015 1.00 0.00 C ATOM 227 NE ARG A 19 2.953 -15.468 -5.871 1.00 0.00 N ATOM 228 CZ ARG A 19 2.315 -16.385 -5.153 1.00 0.00 C ATOM 229 NH1 ARG A 19 1.070 -16.723 -5.459 1.00 0.00 N ATOM 230 NH2 ARG A 19 2.922 -16.967 -4.127 1.00 0.00 N ATOM 0 H ARG A 19 5.694 -16.726 -9.939 1.00 0.00 H new ATOM 0 HA ARG A 19 4.963 -14.059 -10.310 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.461 -15.736 -9.385 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.521 -16.003 -8.015 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.125 -13.599 -7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.944 -13.476 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.693 -13.995 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.751 -15.482 -7.584 1.00 0.00 H new ATOM 0 HE ARG A 19 3.910 -15.231 -5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.600 -16.278 -6.248 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.582 -17.428 -4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.880 -16.710 -3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.431 -17.671 -3.576 1.00 0.00 H new ATOM 244 N LEU A 20 7.332 -14.496 -8.148 1.00 0.00 N ATOM 245 CA LEU A 20 8.285 -13.820 -7.275 1.00 0.00 C ATOM 246 C LEU A 20 9.336 -13.073 -8.091 1.00 0.00 C ATOM 247 O LEU A 20 10.195 -13.686 -8.724 1.00 0.00 O ATOM 248 CB LEU A 20 8.965 -14.830 -6.349 1.00 0.00 C ATOM 249 CG LEU A 20 8.162 -15.261 -5.121 1.00 0.00 C ATOM 250 CD1 LEU A 20 7.899 -14.072 -4.211 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.852 -15.913 -5.542 1.00 0.00 C ATOM 0 H LEU A 20 7.569 -15.465 -8.360 1.00 0.00 H new ATOM 0 HA LEU A 20 7.737 -13.096 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.208 -15.720 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.909 -14.404 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 20 8.748 -15.994 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.326 -14.398 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.848 -13.649 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.334 -13.315 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.294 -16.213 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.261 -15.202 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.062 -16.791 -6.153 1.00 0.00 H new ATOM 263 N ARG A 21 9.262 -11.746 -8.068 1.00 0.00 N ATOM 264 CA ARG A 21 10.208 -10.916 -8.805 1.00 0.00 C ATOM 265 C ARG A 21 10.513 -9.631 -8.040 1.00 0.00 C ATOM 266 O ARG A 21 9.729 -9.197 -7.196 1.00 0.00 O ATOM 267 CB ARG A 21 9.652 -10.579 -10.189 1.00 0.00 C ATOM 268 CG ARG A 21 9.611 -11.768 -11.135 1.00 0.00 C ATOM 269 CD ARG A 21 9.720 -11.328 -12.587 1.00 0.00 C ATOM 270 NE ARG A 21 10.972 -10.625 -12.853 1.00 0.00 N ATOM 271 CZ ARG A 21 11.207 -9.938 -13.966 1.00 0.00 C ATOM 272 NH1 ARG A 21 10.280 -9.863 -14.910 1.00 0.00 N ATOM 273 NH2 ARG A 21 12.372 -9.325 -14.135 1.00 0.00 N ATOM 0 H ARG A 21 8.558 -11.223 -7.548 1.00 0.00 H new ATOM 0 HA ARG A 21 11.134 -11.478 -8.921 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.644 -10.178 -10.079 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.261 -9.792 -10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.427 -12.451 -10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.682 -12.319 -10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.649 -12.200 -13.237 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.880 -10.678 -12.833 1.00 0.00 H new ATOM 0 HE ARG A 21 11.706 -10.663 -12.146 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.384 -10.333 -14.783 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.463 -9.335 -15.763 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.088 -9.381 -13.410 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.552 -8.798 -14.990 1.00 0.00 H new ATOM 287 N THR A 22 11.658 -9.027 -8.342 1.00 0.00 N ATOM 288 CA THR A 22 12.068 -7.793 -7.684 1.00 0.00 C ATOM 289 C THR A 22 11.185 -6.624 -8.107 1.00 0.00 C ATOM 290 O THR A 22 11.082 -5.622 -7.398 1.00 0.00 O ATOM 291 CB THR A 22 13.537 -7.451 -7.995 1.00 0.00 C ATOM 292 OG1 THR A 22 13.798 -6.079 -7.681 1.00 0.00 O ATOM 293 CG2 THR A 22 13.854 -7.711 -9.460 1.00 0.00 C ATOM 0 H THR A 22 12.318 -9.373 -9.039 1.00 0.00 H new ATOM 0 HA THR A 22 11.960 -7.957 -6.612 1.00 0.00 H new ATOM 0 HB THR A 22 14.173 -8.090 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.735 -5.870 -7.880 1.00 0.00 H new ATOM 0 HG21 THR A 22 14.897 -7.462 -9.656 1.00 0.00 H new ATOM 0 HG22 THR A 22 13.683 -8.763 -9.688 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.210 -7.094 -10.087 1.00 0.00 H new ATOM 301 N THR A 23 10.550 -6.758 -9.267 1.00 0.00 N ATOM 302 CA THR A 23 9.676 -5.713 -9.785 1.00 0.00 C ATOM 303 C THR A 23 8.265 -5.847 -9.223 1.00 0.00 C ATOM 304 O THR A 23 7.963 -6.796 -8.498 1.00 0.00 O ATOM 305 CB THR A 23 9.609 -5.748 -11.323 1.00 0.00 C ATOM 306 OG1 THR A 23 9.055 -6.994 -11.761 1.00 0.00 O ATOM 307 CG2 THR A 23 10.991 -5.561 -11.930 1.00 0.00 C ATOM 0 H THR A 23 10.625 -7.580 -9.866 1.00 0.00 H new ATOM 0 HA THR A 23 10.101 -4.760 -9.469 1.00 0.00 H new ATOM 0 HB THR A 23 8.970 -4.930 -11.655 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.014 -7.008 -12.740 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.918 -5.589 -13.017 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.398 -4.599 -11.619 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.649 -6.360 -11.590 1.00 0.00 H new ATOM 315 N ILE A 24 7.406 -4.892 -9.561 1.00 0.00 N ATOM 316 CA ILE A 24 6.026 -4.905 -9.091 1.00 0.00 C ATOM 317 C ILE A 24 5.048 -4.796 -10.255 1.00 0.00 C ATOM 318 O ILE A 24 5.392 -4.294 -11.326 1.00 0.00 O ATOM 319 CB ILE A 24 5.758 -3.757 -8.100 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.876 -3.681 -7.058 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.408 -3.945 -7.423 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.605 -2.687 -5.951 1.00 0.00 C ATOM 0 H ILE A 24 7.641 -4.099 -10.158 1.00 0.00 H new ATOM 0 HA ILE A 24 5.875 -5.856 -8.581 1.00 0.00 H new ATOM 0 HB ILE A 24 5.738 -2.818 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.021 -4.669 -6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.808 -3.413 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.233 -3.126 -6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.621 -3.954 -8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.401 -4.891 -6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.439 -2.687 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.489 -1.690 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.691 -2.966 -5.427 1.00 0.00 H new ATOM 334 N THR A 25 3.824 -5.268 -10.038 1.00 0.00 N ATOM 335 CA THR A 25 2.794 -5.223 -11.069 1.00 0.00 C ATOM 336 C THR A 25 1.736 -4.174 -10.744 1.00 0.00 C ATOM 337 O THR A 25 1.515 -3.819 -9.586 1.00 0.00 O ATOM 338 CB THR A 25 2.108 -6.592 -11.238 1.00 0.00 C ATOM 339 OG1 THR A 25 1.702 -7.097 -9.961 1.00 0.00 O ATOM 340 CG2 THR A 25 3.044 -7.586 -11.909 1.00 0.00 C ATOM 0 H THR A 25 3.522 -5.686 -9.158 1.00 0.00 H new ATOM 0 HA THR A 25 3.292 -4.957 -12.001 1.00 0.00 H new ATOM 0 HB THR A 25 1.230 -6.459 -11.871 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.245 -7.880 -9.731 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.538 -8.545 -12.018 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.328 -7.212 -12.893 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.937 -7.714 -11.298 1.00 0.00 H new ATOM 348 N PRO A 26 1.066 -3.665 -11.788 1.00 0.00 N ATOM 349 CA PRO A 26 0.019 -2.650 -11.638 1.00 0.00 C ATOM 350 C PRO A 26 -1.238 -3.207 -10.977 1.00 0.00 C ATOM 351 O PRO A 26 -2.106 -2.453 -10.541 1.00 0.00 O ATOM 352 CB PRO A 26 -0.277 -2.230 -13.080 1.00 0.00 C ATOM 353 CG PRO A 26 0.114 -3.407 -13.906 1.00 0.00 C ATOM 354 CD PRO A 26 1.278 -4.042 -13.196 1.00 0.00 C ATOM 0 HA PRO A 26 0.337 -1.828 -10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.331 -1.986 -13.213 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.293 -1.344 -13.359 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.714 -4.109 -14.002 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.392 -3.101 -14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.286 -5.124 -13.325 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.230 -3.669 -13.573 1.00 0.00 H new ATOM 362 N GLU A 27 -1.327 -4.532 -10.907 1.00 0.00 N ATOM 363 CA GLU A 27 -2.478 -5.188 -10.299 1.00 0.00 C ATOM 364 C GLU A 27 -2.194 -5.547 -8.844 1.00 0.00 C ATOM 365 O GLU A 27 -3.115 -5.761 -8.056 1.00 0.00 O ATOM 366 CB GLU A 27 -2.848 -6.448 -11.084 1.00 0.00 C ATOM 367 CG GLU A 27 -3.010 -6.211 -12.576 1.00 0.00 C ATOM 368 CD GLU A 27 -3.315 -7.485 -13.340 1.00 0.00 C ATOM 369 OE1 GLU A 27 -4.216 -8.234 -12.907 1.00 0.00 O ATOM 370 OE2 GLU A 27 -2.654 -7.733 -14.370 1.00 0.00 O ATOM 0 H GLU A 27 -0.616 -5.171 -11.264 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.317 -4.492 -10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.078 -7.203 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.778 -6.853 -10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.813 -5.492 -12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.097 -5.765 -12.970 1.00 0.00 H new ATOM 377 N GLN A 28 -0.913 -5.612 -8.495 1.00 0.00 N ATOM 378 CA GLN A 28 -0.507 -5.946 -7.135 1.00 0.00 C ATOM 379 C GLN A 28 -0.421 -4.694 -6.269 1.00 0.00 C ATOM 380 O GLN A 28 -0.742 -4.725 -5.080 1.00 0.00 O ATOM 381 CB GLN A 28 0.842 -6.667 -7.146 1.00 0.00 C ATOM 382 CG GLN A 28 0.734 -8.156 -7.432 1.00 0.00 C ATOM 383 CD GLN A 28 2.088 -8.833 -7.520 1.00 0.00 C ATOM 384 OE1 GLN A 28 2.723 -8.843 -8.575 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.537 -9.404 -6.408 1.00 0.00 N ATOM 0 H GLN A 28 -0.138 -5.438 -9.135 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.261 -6.608 -6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.484 -6.207 -7.897 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.328 -6.525 -6.181 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.145 -8.631 -6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.196 -8.304 -8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.977 -9.371 -5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.442 -9.875 -6.406 1.00 0.00 H new ATOM 394 N LEU A 29 0.013 -3.593 -6.872 1.00 0.00 N ATOM 395 CA LEU A 29 0.142 -2.328 -6.156 1.00 0.00 C ATOM 396 C LEU A 29 -1.139 -2.001 -5.394 1.00 0.00 C ATOM 397 O LEU A 29 -1.112 -1.775 -4.185 1.00 0.00 O ATOM 398 CB LEU A 29 0.471 -1.198 -7.132 1.00 0.00 C ATOM 399 CG LEU A 29 1.954 -0.988 -7.441 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.134 -0.440 -8.848 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.586 -0.055 -6.418 1.00 0.00 C ATOM 0 H LEU A 29 0.282 -3.550 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 29 0.956 -2.427 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.051 -1.391 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.069 -0.268 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 29 2.457 -1.953 -7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.196 -0.297 -9.050 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.719 -1.145 -9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.616 0.515 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.641 0.083 -6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.080 0.910 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.490 -0.488 -5.422 1.00 0.00 H new ATOM 413 N GLU A 30 -2.258 -1.980 -6.111 1.00 0.00 N ATOM 414 CA GLU A 30 -3.549 -1.682 -5.501 1.00 0.00 C ATOM 415 C GLU A 30 -3.618 -2.228 -4.078 1.00 0.00 C ATOM 416 O GLU A 30 -3.923 -1.496 -3.136 1.00 0.00 O ATOM 417 CB GLU A 30 -4.683 -2.274 -6.341 1.00 0.00 C ATOM 418 CG GLU A 30 -4.390 -2.295 -7.832 1.00 0.00 C ATOM 419 CD GLU A 30 -5.650 -2.278 -8.675 1.00 0.00 C ATOM 420 OE1 GLU A 30 -6.341 -1.238 -8.687 1.00 0.00 O ATOM 421 OE2 GLU A 30 -5.945 -3.305 -9.322 1.00 0.00 O ATOM 0 H GLU A 30 -2.297 -2.165 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.662 -0.599 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.880 -3.292 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.592 -1.698 -6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.774 -1.434 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.809 -3.186 -8.072 1.00 0.00 H new ATOM 428 N ILE A 31 -3.332 -3.517 -3.930 1.00 0.00 N ATOM 429 CA ILE A 31 -3.360 -4.160 -2.623 1.00 0.00 C ATOM 430 C ILE A 31 -2.398 -3.480 -1.654 1.00 0.00 C ATOM 431 O ILE A 31 -2.738 -3.231 -0.497 1.00 0.00 O ATOM 432 CB ILE A 31 -2.999 -5.654 -2.722 1.00 0.00 C ATOM 433 CG1 ILE A 31 -3.909 -6.354 -3.734 1.00 0.00 C ATOM 434 CG2 ILE A 31 -3.107 -6.317 -1.358 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.296 -7.598 -4.339 1.00 0.00 C ATOM 0 H ILE A 31 -3.078 -4.136 -4.700 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.379 -4.065 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.968 -5.742 -3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.845 -6.622 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.156 -5.655 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.849 -7.372 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.422 -5.832 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.128 -6.223 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.996 -8.042 -5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.374 -7.334 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.075 -8.316 -3.549 1.00 0.00 H new ATOM 447 N LEU A 32 -1.197 -3.181 -2.135 1.00 0.00 N ATOM 448 CA LEU A 32 -0.185 -2.527 -1.313 1.00 0.00 C ATOM 449 C LEU A 32 -0.649 -1.141 -0.877 1.00 0.00 C ATOM 450 O LEU A 32 -0.601 -0.802 0.306 1.00 0.00 O ATOM 451 CB LEU A 32 1.133 -2.417 -2.083 1.00 0.00 C ATOM 452 CG LEU A 32 1.653 -3.710 -2.711 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.904 -3.439 -3.533 1.00 0.00 C ATOM 454 CD2 LEU A 32 1.934 -4.750 -1.637 1.00 0.00 C ATOM 0 H LEU A 32 -0.900 -3.381 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.029 -3.135 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.008 -1.677 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.896 -2.033 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 32 0.884 -4.103 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.260 -4.371 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.671 -2.729 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.679 -3.022 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.303 -5.664 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.685 -4.366 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.016 -4.967 -1.091 1.00 0.00 H new ATOM 466 N TYR A 33 -1.101 -0.345 -1.839 1.00 0.00 N ATOM 467 CA TYR A 33 -1.575 1.005 -1.555 1.00 0.00 C ATOM 468 C TYR A 33 -2.693 0.982 -0.517 1.00 0.00 C ATOM 469 O TYR A 33 -2.693 1.770 0.428 1.00 0.00 O ATOM 470 CB TYR A 33 -2.068 1.676 -2.838 1.00 0.00 C ATOM 471 CG TYR A 33 -0.957 2.261 -3.681 1.00 0.00 C ATOM 472 CD1 TYR A 33 -0.194 3.325 -3.217 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.671 1.750 -4.941 1.00 0.00 C ATOM 474 CE1 TYR A 33 0.821 3.864 -3.983 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.343 2.281 -5.713 1.00 0.00 C ATOM 476 CZ TYR A 33 1.086 3.338 -5.230 1.00 0.00 C ATOM 477 OH TYR A 33 2.097 3.871 -5.998 1.00 0.00 O ATOM 0 H TYR A 33 -1.149 -0.611 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.741 1.579 -1.151 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.617 0.946 -3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.770 2.468 -2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.398 3.738 -2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.252 0.923 -5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.404 4.692 -3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.553 1.871 -6.690 1.00 0.00 H new ATOM 0 HH TYR A 33 2.153 3.385 -6.847 1.00 0.00 H new ATOM 487 N GLN A 34 -3.645 0.073 -0.702 1.00 0.00 N ATOM 488 CA GLN A 34 -4.769 -0.053 0.217 1.00 0.00 C ATOM 489 C GLN A 34 -4.290 -0.423 1.617 1.00 0.00 C ATOM 490 O GLN A 34 -4.731 0.157 2.610 1.00 0.00 O ATOM 491 CB GLN A 34 -5.756 -1.106 -0.291 1.00 0.00 C ATOM 492 CG GLN A 34 -6.820 -0.544 -1.220 1.00 0.00 C ATOM 493 CD GLN A 34 -7.650 0.543 -0.566 1.00 0.00 C ATOM 494 OE1 GLN A 34 -8.677 0.267 0.056 1.00 0.00 O ATOM 495 NE2 GLN A 34 -7.209 1.788 -0.703 1.00 0.00 N ATOM 0 H GLN A 34 -3.660 -0.587 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.272 0.912 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.204 -1.887 -0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.243 -1.577 0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.342 -0.143 -2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.476 -1.351 -1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.353 1.971 -1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.726 2.561 -0.284 1.00 0.00 H new ATOM 504 N LYS A 35 -3.383 -1.392 1.690 1.00 0.00 N ATOM 505 CA LYS A 35 -2.842 -1.839 2.967 1.00 0.00 C ATOM 506 C LYS A 35 -1.996 -0.746 3.613 1.00 0.00 C ATOM 507 O LYS A 35 -1.866 -0.690 4.836 1.00 0.00 O ATOM 508 CB LYS A 35 -2.000 -3.103 2.773 1.00 0.00 C ATOM 509 CG LYS A 35 -2.804 -4.303 2.305 1.00 0.00 C ATOM 510 CD LYS A 35 -3.472 -5.015 3.470 1.00 0.00 C ATOM 511 CE LYS A 35 -4.522 -6.005 2.989 1.00 0.00 C ATOM 512 NZ LYS A 35 -5.448 -6.406 4.084 1.00 0.00 N ATOM 0 H LYS A 35 -3.007 -1.883 0.878 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.679 -2.064 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.213 -2.898 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.509 -3.350 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.562 -3.979 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.149 -4.998 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.719 -5.539 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.937 -4.281 4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.094 -5.561 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.029 -6.890 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.149 -7.081 3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.906 -6.853 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.937 -5.565 4.451 1.00 0.00 H new ATOM 526 N TYR A 36 -1.425 0.120 2.784 1.00 0.00 N ATOM 527 CA TYR A 36 -0.592 1.212 3.274 1.00 0.00 C ATOM 528 C TYR A 36 -1.449 2.343 3.834 1.00 0.00 C ATOM 529 O TYR A 36 -1.241 2.796 4.961 1.00 0.00 O ATOM 530 CB TYR A 36 0.303 1.742 2.152 1.00 0.00 C ATOM 531 CG TYR A 36 1.020 3.025 2.505 1.00 0.00 C ATOM 532 CD1 TYR A 36 2.159 3.012 3.300 1.00 0.00 C ATOM 533 CD2 TYR A 36 0.559 4.252 2.042 1.00 0.00 C ATOM 534 CE1 TYR A 36 2.817 4.182 3.626 1.00 0.00 C ATOM 535 CE2 TYR A 36 1.211 5.427 2.361 1.00 0.00 C ATOM 536 CZ TYR A 36 2.339 5.387 3.154 1.00 0.00 C ATOM 537 OH TYR A 36 2.992 6.555 3.474 1.00 0.00 O ATOM 0 H TYR A 36 -1.524 0.087 1.769 1.00 0.00 H new ATOM 0 HA TYR A 36 0.035 0.824 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.041 0.981 1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.304 1.908 1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.537 2.070 3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.325 4.287 1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.700 4.154 4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.840 6.372 1.992 1.00 0.00 H new ATOM 0 HH TYR A 36 2.334 7.257 3.661 1.00 0.00 H new ATOM 547 N LEU A 37 -2.413 2.794 3.040 1.00 0.00 N ATOM 548 CA LEU A 37 -3.304 3.872 3.455 1.00 0.00 C ATOM 549 C LEU A 37 -3.898 3.588 4.831 1.00 0.00 C ATOM 550 O LEU A 37 -4.112 4.504 5.628 1.00 0.00 O ATOM 551 CB LEU A 37 -4.425 4.056 2.431 1.00 0.00 C ATOM 552 CG LEU A 37 -3.991 4.489 1.031 1.00 0.00 C ATOM 553 CD1 LEU A 37 -5.034 4.086 0.000 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.748 5.990 0.987 1.00 0.00 C ATOM 0 H LEU A 37 -2.598 2.430 2.105 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.720 4.791 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.970 3.116 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.125 4.797 2.818 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.056 3.983 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.708 4.403 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.158 3.003 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.985 4.563 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.440 6.279 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.666 6.515 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.964 6.253 1.697 1.00 0.00 H new ATOM 566 N LEU A 38 -4.160 2.315 5.106 1.00 0.00 N ATOM 567 CA LEU A 38 -4.727 1.910 6.387 1.00 0.00 C ATOM 568 C LEU A 38 -3.626 1.590 7.393 1.00 0.00 C ATOM 569 O LEU A 38 -3.767 1.854 8.588 1.00 0.00 O ATOM 570 CB LEU A 38 -5.635 0.693 6.204 1.00 0.00 C ATOM 571 CG LEU A 38 -4.943 -0.671 6.233 1.00 0.00 C ATOM 572 CD1 LEU A 38 -4.889 -1.211 7.654 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.658 -1.651 5.315 1.00 0.00 C ATOM 0 H LEU A 38 -3.989 1.546 4.459 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.317 2.741 6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.394 0.710 6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.156 0.793 5.252 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.921 -0.547 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.394 -2.182 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.332 -0.518 8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.902 -1.320 8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.152 -2.616 5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.690 -1.771 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.645 -1.269 4.294 1.00 0.00 H new ATOM 585 N ASP A 39 -2.530 1.023 6.902 1.00 0.00 N ATOM 586 CA ASP A 39 -1.403 0.670 7.758 1.00 0.00 C ATOM 587 C ASP A 39 -0.083 1.096 7.121 1.00 0.00 C ATOM 588 O ASP A 39 0.443 0.412 6.243 1.00 0.00 O ATOM 589 CB ASP A 39 -1.391 -0.836 8.027 1.00 0.00 C ATOM 590 CG ASP A 39 -0.736 -1.182 9.350 1.00 0.00 C ATOM 591 OD1 ASP A 39 -0.594 -0.275 10.196 1.00 0.00 O ATOM 592 OD2 ASP A 39 -0.366 -2.360 9.538 1.00 0.00 O ATOM 0 H ASP A 39 -2.398 0.798 5.916 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.517 1.199 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.414 -1.211 8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.862 -1.342 7.220 1.00 0.00 H new ATOM 597 N SER A 40 0.445 2.230 7.569 1.00 0.00 N ATOM 598 CA SER A 40 1.701 2.750 7.040 1.00 0.00 C ATOM 599 C SER A 40 2.858 2.442 7.985 1.00 0.00 C ATOM 600 O SER A 40 4.025 2.557 7.614 1.00 0.00 O ATOM 601 CB SER A 40 1.598 4.260 6.817 1.00 0.00 C ATOM 602 OG SER A 40 0.376 4.600 6.185 1.00 0.00 O ATOM 0 H SER A 40 0.023 2.807 8.297 1.00 0.00 H new ATOM 0 HA SER A 40 1.895 2.261 6.085 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.673 4.778 7.773 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.434 4.598 6.205 1.00 0.00 H new ATOM 0 HG SER A 40 0.012 3.812 5.731 1.00 0.00 H new ATOM 608 N ASN A 41 2.524 2.049 9.211 1.00 0.00 N ATOM 609 CA ASN A 41 3.535 1.725 10.211 1.00 0.00 C ATOM 610 C ASN A 41 3.451 0.255 10.611 1.00 0.00 C ATOM 611 O ASN A 41 3.510 -0.097 11.790 1.00 0.00 O ATOM 612 CB ASN A 41 3.363 2.612 11.446 1.00 0.00 C ATOM 613 CG ASN A 41 4.691 2.989 12.075 1.00 0.00 C ATOM 614 OD1 ASN A 41 4.867 2.883 13.289 1.00 0.00 O ATOM 615 ND2 ASN A 41 5.632 3.432 11.250 1.00 0.00 N ATOM 0 H ASN A 41 1.562 1.947 9.535 1.00 0.00 H new ATOM 0 HA ASN A 41 4.516 1.909 9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.825 3.518 11.167 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.750 2.091 12.182 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.545 3.701 11.616 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.442 3.503 10.250 1.00 0.00 H new ATOM 622 N PRO A 42 3.311 -0.624 9.608 1.00 0.00 N ATOM 623 CA PRO A 42 3.218 -2.070 9.831 1.00 0.00 C ATOM 624 C PRO A 42 4.537 -2.671 10.304 1.00 0.00 C ATOM 625 O PRO A 42 5.602 -2.082 10.116 1.00 0.00 O ATOM 626 CB PRO A 42 2.845 -2.618 8.451 1.00 0.00 C ATOM 627 CG PRO A 42 3.361 -1.604 7.489 1.00 0.00 C ATOM 628 CD PRO A 42 3.234 -0.275 8.180 1.00 0.00 C ATOM 0 HA PRO A 42 2.498 -2.316 10.612 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.297 -3.595 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.767 -2.744 8.353 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.399 -1.809 7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.788 -1.618 6.562 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.033 0.407 7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.292 0.216 7.937 1.00 0.00 H new ATOM 636 N THR A 43 4.461 -3.847 10.918 1.00 0.00 N ATOM 637 CA THR A 43 5.649 -4.527 11.418 1.00 0.00 C ATOM 638 C THR A 43 6.008 -5.722 10.543 1.00 0.00 C ATOM 639 O THR A 43 5.180 -6.211 9.774 1.00 0.00 O ATOM 640 CB THR A 43 5.452 -5.008 12.868 1.00 0.00 C ATOM 641 OG1 THR A 43 6.616 -5.714 13.312 1.00 0.00 O ATOM 642 CG2 THR A 43 4.233 -5.910 12.979 1.00 0.00 C ATOM 0 H THR A 43 3.588 -4.349 11.081 1.00 0.00 H new ATOM 0 HA THR A 43 6.463 -3.803 11.390 1.00 0.00 H new ATOM 0 HB THR A 43 5.295 -4.133 13.499 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.484 -6.015 14.235 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.115 -6.237 14.012 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.344 -5.361 12.668 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.365 -6.780 12.336 1.00 0.00 H new ATOM 650 N ARG A 44 7.247 -6.188 10.665 1.00 0.00 N ATOM 651 CA ARG A 44 7.715 -7.327 9.884 1.00 0.00 C ATOM 652 C ARG A 44 6.595 -8.342 9.677 1.00 0.00 C ATOM 653 O ARG A 44 6.443 -8.903 8.592 1.00 0.00 O ATOM 654 CB ARG A 44 8.902 -7.995 10.579 1.00 0.00 C ATOM 655 CG ARG A 44 9.766 -8.827 9.644 1.00 0.00 C ATOM 656 CD ARG A 44 10.794 -7.968 8.924 1.00 0.00 C ATOM 657 NE ARG A 44 11.789 -7.421 9.842 1.00 0.00 N ATOM 658 CZ ARG A 44 12.911 -6.832 9.444 1.00 0.00 C ATOM 659 NH1 ARG A 44 13.179 -6.714 8.151 1.00 0.00 N ATOM 660 NH2 ARG A 44 13.768 -6.358 10.340 1.00 0.00 N ATOM 0 H ARG A 44 7.944 -5.795 11.297 1.00 0.00 H new ATOM 0 HA ARG A 44 8.033 -6.960 8.908 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.520 -7.226 11.043 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.531 -8.633 11.381 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.275 -9.605 10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.133 -9.329 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.294 -8.564 8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.288 -7.151 8.410 1.00 0.00 H new ATOM 0 HE ARG A 44 11.613 -7.495 10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.523 -7.076 7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.041 -6.261 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.565 -6.446 11.336 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.629 -5.906 10.033 1.00 0.00 H new ATOM 674 N LYS A 45 5.813 -8.575 10.727 1.00 0.00 N ATOM 675 CA LYS A 45 4.707 -9.522 10.662 1.00 0.00 C ATOM 676 C LYS A 45 3.769 -9.185 9.506 1.00 0.00 C ATOM 677 O LYS A 45 3.552 -10.002 8.613 1.00 0.00 O ATOM 678 CB LYS A 45 3.929 -9.520 11.980 1.00 0.00 C ATOM 679 CG LYS A 45 3.113 -10.781 12.206 1.00 0.00 C ATOM 680 CD LYS A 45 4.004 -12.005 12.342 1.00 0.00 C ATOM 681 CE LYS A 45 3.285 -13.141 13.053 1.00 0.00 C ATOM 682 NZ LYS A 45 3.466 -13.074 14.530 1.00 0.00 N ATOM 0 H LYS A 45 5.926 -8.120 11.633 1.00 0.00 H new ATOM 0 HA LYS A 45 5.122 -10.516 10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.630 -9.398 12.806 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.262 -8.658 11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.509 -10.668 13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.423 -10.923 11.374 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.322 -12.336 11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.905 -11.741 12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.222 -13.103 12.815 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.660 -14.096 12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.961 -13.865 14.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.479 -13.136 14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.085 -12.174 14.886 1.00 0.00 H new ATOM 696 N MET A 46 3.218 -7.976 9.531 1.00 0.00 N ATOM 697 CA MET A 46 2.306 -7.531 8.483 1.00 0.00 C ATOM 698 C MET A 46 2.975 -7.603 7.114 1.00 0.00 C ATOM 699 O MET A 46 2.448 -8.219 6.187 1.00 0.00 O ATOM 700 CB MET A 46 1.837 -6.101 8.760 1.00 0.00 C ATOM 701 CG MET A 46 1.131 -5.941 10.096 1.00 0.00 C ATOM 702 SD MET A 46 -0.124 -7.206 10.375 1.00 0.00 S ATOM 703 CE MET A 46 -0.977 -7.189 8.800 1.00 0.00 C ATOM 0 H MET A 46 3.387 -7.287 10.264 1.00 0.00 H new ATOM 0 HA MET A 46 1.442 -8.195 8.481 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.698 -5.433 8.731 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.163 -5.787 7.963 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.867 -5.982 10.899 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.665 -4.957 10.141 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.021 -7.464 8.949 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.923 -6.190 8.368 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.507 -7.903 8.124 1.00 0.00 H new ATOM 713 N LEU A 47 4.136 -6.970 6.993 1.00 0.00 N ATOM 714 CA LEU A 47 4.877 -6.962 5.736 1.00 0.00 C ATOM 715 C LEU A 47 5.032 -8.377 5.188 1.00 0.00 C ATOM 716 O LEU A 47 5.164 -8.574 3.980 1.00 0.00 O ATOM 717 CB LEU A 47 6.253 -6.326 5.937 1.00 0.00 C ATOM 718 CG LEU A 47 6.259 -4.868 6.395 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.682 -4.389 6.635 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.562 -3.984 5.371 1.00 0.00 C ATOM 0 H LEU A 47 4.585 -6.455 7.750 1.00 0.00 H new ATOM 0 HA LEU A 47 4.314 -6.372 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.801 -6.918 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.802 -6.393 4.998 1.00 0.00 H new ATOM 0 HG LEU A 47 5.712 -4.801 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.666 -3.349 6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.148 -5.003 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.254 -4.471 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.576 -2.949 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.080 -4.056 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.530 -4.312 5.250 1.00 0.00 H new ATOM 732 N ASP A 48 5.014 -9.358 6.083 1.00 0.00 N ATOM 733 CA ASP A 48 5.149 -10.756 5.688 1.00 0.00 C ATOM 734 C ASP A 48 3.850 -11.279 5.084 1.00 0.00 C ATOM 735 O ASP A 48 3.853 -11.903 4.023 1.00 0.00 O ATOM 736 CB ASP A 48 5.547 -11.612 6.892 1.00 0.00 C ATOM 737 CG ASP A 48 6.038 -12.988 6.487 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.190 -13.878 6.268 1.00 0.00 O ATOM 739 OD2 ASP A 48 7.269 -13.175 6.390 1.00 0.00 O ATOM 0 H ASP A 48 4.907 -9.212 7.087 1.00 0.00 H new ATOM 0 HA ASP A 48 5.931 -10.820 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.329 -11.102 7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.691 -11.717 7.559 1.00 0.00 H new ATOM 744 N HIS A 49 2.739 -11.020 5.768 1.00 0.00 N ATOM 745 CA HIS A 49 1.432 -11.465 5.299 1.00 0.00 C ATOM 746 C HIS A 49 1.051 -10.760 4.001 1.00 0.00 C ATOM 747 O HIS A 49 0.772 -11.407 2.991 1.00 0.00 O ATOM 748 CB HIS A 49 0.368 -11.204 6.365 1.00 0.00 C ATOM 749 CG HIS A 49 -0.971 -11.785 6.031 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.230 -13.140 6.055 1.00 0.00 N ATOM 751 CD2 HIS A 49 -2.129 -11.188 5.665 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.490 -13.350 5.716 1.00 0.00 C ATOM 753 NE2 HIS A 49 -3.058 -12.182 5.475 1.00 0.00 N ATOM 0 H HIS A 49 2.718 -10.505 6.648 1.00 0.00 H new ATOM 0 HA HIS A 49 1.489 -12.536 5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.708 -11.618 7.314 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.263 -10.128 6.506 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.292 -10.127 5.545 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.973 -14.313 5.648 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -4.028 -12.041 5.194 1.00 0.00 H new ATOM 762 N ILE A 50 1.042 -9.431 4.035 1.00 0.00 N ATOM 763 CA ILE A 50 0.696 -8.640 2.862 1.00 0.00 C ATOM 764 C ILE A 50 1.445 -9.130 1.627 1.00 0.00 C ATOM 765 O ILE A 50 0.870 -9.247 0.545 1.00 0.00 O ATOM 766 CB ILE A 50 1.007 -7.147 3.078 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.227 -6.609 4.278 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.677 -6.350 1.824 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.935 -5.489 5.007 1.00 0.00 C ATOM 0 H ILE A 50 1.271 -8.880 4.863 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.376 -8.761 2.705 1.00 0.00 H new ATOM 0 HB ILE A 50 2.072 -7.039 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.746 -6.253 3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.041 -7.425 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.902 -5.297 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.274 -6.720 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.382 -6.462 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.323 -5.157 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.896 -5.846 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.097 -4.655 4.324 1.00 0.00 H new ATOM 781 N ALA A 51 2.731 -9.417 1.798 1.00 0.00 N ATOM 782 CA ALA A 51 3.558 -9.900 0.699 1.00 0.00 C ATOM 783 C ALA A 51 3.119 -11.289 0.250 1.00 0.00 C ATOM 784 O ALA A 51 3.375 -11.696 -0.884 1.00 0.00 O ATOM 785 CB ALA A 51 5.024 -9.913 1.108 1.00 0.00 C ATOM 0 H ALA A 51 3.223 -9.323 2.687 1.00 0.00 H new ATOM 0 HA ALA A 51 3.433 -9.219 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.630 -10.276 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.337 -8.903 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.156 -10.570 1.968 1.00 0.00 H new ATOM 791 N HIS A 52 2.457 -12.014 1.146 1.00 0.00 N ATOM 792 CA HIS A 52 1.983 -13.359 0.841 1.00 0.00 C ATOM 793 C HIS A 52 0.625 -13.312 0.147 1.00 0.00 C ATOM 794 O HIS A 52 0.304 -14.177 -0.667 1.00 0.00 O ATOM 795 CB HIS A 52 1.886 -14.190 2.121 1.00 0.00 C ATOM 796 CG HIS A 52 1.468 -15.609 1.883 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.354 -16.666 1.896 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.251 -16.143 1.627 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.700 -17.789 1.657 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.422 -17.499 1.490 1.00 0.00 N ATOM 0 H HIS A 52 2.237 -11.693 2.089 1.00 0.00 H new ATOM 0 HA HIS A 52 2.700 -13.826 0.166 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.854 -14.184 2.623 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.173 -13.718 2.798 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.681 -15.603 1.546 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.136 -18.776 1.607 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.318 -18.173 1.292 1.00 0.00 H new ATOM 809 N GLU A 53 -0.167 -12.296 0.475 1.00 0.00 N ATOM 810 CA GLU A 53 -1.491 -12.139 -0.116 1.00 0.00 C ATOM 811 C GLU A 53 -1.402 -11.443 -1.471 1.00 0.00 C ATOM 812 O GLU A 53 -2.174 -11.736 -2.384 1.00 0.00 O ATOM 813 CB GLU A 53 -2.401 -11.341 0.820 1.00 0.00 C ATOM 814 CG GLU A 53 -2.257 -9.835 0.672 1.00 0.00 C ATOM 815 CD GLU A 53 -3.323 -9.070 1.432 1.00 0.00 C ATOM 816 OE1 GLU A 53 -3.316 -9.124 2.679 1.00 0.00 O ATOM 817 OE2 GLU A 53 -4.165 -8.418 0.779 1.00 0.00 O ATOM 0 H GLU A 53 0.085 -11.570 1.146 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.915 -13.132 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.438 -11.619 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.181 -11.619 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.273 -9.531 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.309 -9.571 -0.384 1.00 0.00 H new ATOM 824 N VAL A 54 -0.454 -10.518 -1.594 1.00 0.00 N ATOM 825 CA VAL A 54 -0.263 -9.780 -2.836 1.00 0.00 C ATOM 826 C VAL A 54 0.534 -10.600 -3.845 1.00 0.00 C ATOM 827 O VAL A 54 0.515 -10.318 -5.043 1.00 0.00 O ATOM 828 CB VAL A 54 0.463 -8.444 -2.590 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.367 -7.549 -3.816 1.00 0.00 C ATOM 830 CG2 VAL A 54 -0.108 -7.746 -1.364 1.00 0.00 C ATOM 0 H VAL A 54 0.193 -10.263 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.255 -9.577 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 54 1.517 -8.652 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.886 -6.610 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.827 -8.049 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.681 -7.346 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.416 -6.804 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.169 -7.549 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.019 -8.384 -0.490 1.00 0.00 H new ATOM 840 N GLY A 55 1.233 -11.617 -3.353 1.00 0.00 N ATOM 841 CA GLY A 55 2.026 -12.463 -4.225 1.00 0.00 C ATOM 842 C GLY A 55 3.270 -11.764 -4.736 1.00 0.00 C ATOM 843 O GLY A 55 3.661 -11.941 -5.891 1.00 0.00 O ATOM 0 H GLY A 55 1.265 -11.871 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.315 -13.365 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.417 -12.779 -5.072 1.00 0.00 H new ATOM 847 N LEU A 56 3.894 -10.966 -3.877 1.00 0.00 N ATOM 848 CA LEU A 56 5.101 -10.235 -4.248 1.00 0.00 C ATOM 849 C LEU A 56 6.234 -10.522 -3.269 1.00 0.00 C ATOM 850 O LEU A 56 6.003 -10.994 -2.155 1.00 0.00 O ATOM 851 CB LEU A 56 4.818 -8.733 -4.293 1.00 0.00 C ATOM 852 CG LEU A 56 5.804 -7.887 -5.099 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.931 -8.423 -6.517 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.368 -6.429 -5.115 1.00 0.00 C ATOM 0 H LEU A 56 3.584 -10.808 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 56 5.409 -10.570 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.820 -8.584 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.799 -8.357 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 56 6.781 -7.947 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.637 -7.809 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.290 -9.452 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.957 -8.393 -7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.082 -5.842 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.380 -6.350 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.329 -6.050 -4.094 1.00 0.00 H new ATOM 866 N LYS A 57 7.461 -10.233 -3.690 1.00 0.00 N ATOM 867 CA LYS A 57 8.631 -10.456 -2.850 1.00 0.00 C ATOM 868 C LYS A 57 8.478 -9.752 -1.506 1.00 0.00 C ATOM 869 O LYS A 57 8.267 -8.541 -1.447 1.00 0.00 O ATOM 870 CB LYS A 57 9.894 -9.958 -3.557 1.00 0.00 C ATOM 871 CG LYS A 57 10.268 -10.775 -4.782 1.00 0.00 C ATOM 872 CD LYS A 57 11.182 -11.934 -4.421 1.00 0.00 C ATOM 873 CE LYS A 57 12.097 -12.303 -5.579 1.00 0.00 C ATOM 874 NZ LYS A 57 13.121 -13.307 -5.178 1.00 0.00 N ATOM 0 H LYS A 57 7.670 -9.843 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 57 8.720 -11.528 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.748 -8.919 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.725 -9.974 -2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.364 -11.157 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.763 -10.134 -5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.783 -11.668 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.581 -12.799 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.501 -12.700 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.593 -11.406 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.725 -13.532 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.706 -12.919 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.648 -14.172 -4.848 1.00 0.00 H new ATOM 888 N LYS A 58 8.587 -10.519 -0.426 1.00 0.00 N ATOM 889 CA LYS A 58 8.463 -9.970 0.919 1.00 0.00 C ATOM 890 C LYS A 58 9.318 -8.716 1.075 1.00 0.00 C ATOM 891 O LYS A 58 8.827 -7.666 1.488 1.00 0.00 O ATOM 892 CB LYS A 58 8.875 -11.014 1.959 1.00 0.00 C ATOM 893 CG LYS A 58 8.153 -10.869 3.287 1.00 0.00 C ATOM 894 CD LYS A 58 8.447 -9.528 3.938 1.00 0.00 C ATOM 895 CE LYS A 58 8.368 -9.616 5.454 1.00 0.00 C ATOM 896 NZ LYS A 58 9.282 -8.644 6.115 1.00 0.00 N ATOM 0 H LYS A 58 8.761 -11.524 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 58 7.419 -9.700 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.683 -12.009 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.949 -10.940 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.079 -10.971 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.456 -11.674 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.440 -9.189 3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.736 -8.784 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.344 -9.428 5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.621 -10.627 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.815 -8.243 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.155 -9.130 6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.516 -7.880 5.450 1.00 0.00 H new ATOM 910 N ARG A 59 10.599 -8.834 0.742 1.00 0.00 N ATOM 911 CA ARG A 59 11.522 -7.710 0.845 1.00 0.00 C ATOM 912 C ARG A 59 11.000 -6.504 0.070 1.00 0.00 C ATOM 913 O ARG A 59 10.902 -5.402 0.608 1.00 0.00 O ATOM 914 CB ARG A 59 12.904 -8.107 0.321 1.00 0.00 C ATOM 915 CG ARG A 59 13.994 -7.104 0.658 1.00 0.00 C ATOM 916 CD ARG A 59 14.534 -7.319 2.063 1.00 0.00 C ATOM 917 NE ARG A 59 15.197 -8.613 2.203 1.00 0.00 N ATOM 918 CZ ARG A 59 16.419 -8.866 1.749 1.00 0.00 C ATOM 919 NH1 ARG A 59 17.109 -7.918 1.129 1.00 0.00 N ATOM 920 NH2 ARG A 59 16.954 -10.069 1.914 1.00 0.00 N ATOM 0 H ARG A 59 11.021 -9.697 0.399 1.00 0.00 H new ATOM 0 HA ARG A 59 11.604 -7.436 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.175 -9.078 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.853 -8.225 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.807 -7.193 -0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.599 -6.092 0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.238 -6.523 2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.716 -7.252 2.780 1.00 0.00 H new ATOM 0 HE ARG A 59 14.694 -9.364 2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.701 -6.992 1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.047 -8.115 0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.427 -10.801 2.390 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.893 -10.262 1.565 1.00 0.00 H new ATOM 934 N VAL A 60 10.665 -6.723 -1.198 1.00 0.00 N ATOM 935 CA VAL A 60 10.152 -5.655 -2.048 1.00 0.00 C ATOM 936 C VAL A 60 8.954 -4.967 -1.403 1.00 0.00 C ATOM 937 O VAL A 60 8.825 -3.744 -1.453 1.00 0.00 O ATOM 938 CB VAL A 60 9.739 -6.188 -3.433 1.00 0.00 C ATOM 939 CG1 VAL A 60 9.102 -5.084 -4.262 1.00 0.00 C ATOM 940 CG2 VAL A 60 10.940 -6.782 -4.153 1.00 0.00 C ATOM 0 H VAL A 60 10.740 -7.630 -1.659 1.00 0.00 H new ATOM 0 HA VAL A 60 10.960 -4.933 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 60 9.000 -6.977 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.817 -5.479 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.216 -4.709 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.816 -4.271 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.631 -7.154 -5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.703 -6.015 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.347 -7.604 -3.564 1.00 0.00 H new ATOM 950 N VAL A 61 8.078 -5.762 -0.796 1.00 0.00 N ATOM 951 CA VAL A 61 6.890 -5.230 -0.138 1.00 0.00 C ATOM 952 C VAL A 61 7.257 -4.483 1.139 1.00 0.00 C ATOM 953 O VAL A 61 6.647 -3.467 1.472 1.00 0.00 O ATOM 954 CB VAL A 61 5.889 -6.349 0.204 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.723 -5.796 1.008 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.398 -7.030 -1.064 1.00 0.00 C ATOM 0 H VAL A 61 8.169 -6.777 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 61 6.423 -4.538 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 61 6.399 -7.094 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.026 -6.602 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.095 -5.359 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.211 -5.030 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.691 -7.818 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.905 -6.297 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.245 -7.463 -1.596 1.00 0.00 H new ATOM 966 N GLN A 62 8.257 -4.993 1.850 1.00 0.00 N ATOM 967 CA GLN A 62 8.705 -4.373 3.091 1.00 0.00 C ATOM 968 C GLN A 62 9.329 -3.008 2.824 1.00 0.00 C ATOM 969 O GLN A 62 9.115 -2.057 3.577 1.00 0.00 O ATOM 970 CB GLN A 62 9.713 -5.277 3.803 1.00 0.00 C ATOM 971 CG GLN A 62 10.670 -4.524 4.713 1.00 0.00 C ATOM 972 CD GLN A 62 11.481 -5.448 5.599 1.00 0.00 C ATOM 973 OE1 GLN A 62 11.730 -5.147 6.767 1.00 0.00 O ATOM 974 NE2 GLN A 62 11.899 -6.582 5.048 1.00 0.00 N ATOM 0 H GLN A 62 8.772 -5.833 1.588 1.00 0.00 H new ATOM 0 HA GLN A 62 7.835 -4.235 3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.172 -6.017 4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.289 -5.823 3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.347 -3.923 4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.104 -3.833 5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.670 -6.792 4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.449 -7.243 5.596 1.00 0.00 H new ATOM 983 N VAL A 63 10.103 -2.917 1.747 1.00 0.00 N ATOM 984 CA VAL A 63 10.758 -1.667 1.380 1.00 0.00 C ATOM 985 C VAL A 63 9.789 -0.726 0.673 1.00 0.00 C ATOM 986 O VAL A 63 9.877 0.494 0.817 1.00 0.00 O ATOM 987 CB VAL A 63 11.972 -1.917 0.466 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.547 -0.600 -0.032 1.00 0.00 C ATOM 989 CG2 VAL A 63 13.031 -2.728 1.197 1.00 0.00 C ATOM 0 H VAL A 63 10.292 -3.694 1.114 1.00 0.00 H new ATOM 0 HA VAL A 63 11.099 -1.204 2.306 1.00 0.00 H new ATOM 0 HB VAL A 63 11.641 -2.491 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.404 -0.797 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.786 -0.061 -0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.864 0.003 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.882 -2.895 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.360 -2.183 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.611 -3.688 1.498 1.00 0.00 H new ATOM 999 N TRP A 64 8.866 -1.299 -0.090 1.00 0.00 N ATOM 1000 CA TRP A 64 7.879 -0.511 -0.819 1.00 0.00 C ATOM 1001 C TRP A 64 7.075 0.369 0.132 1.00 0.00 C ATOM 1002 O TRP A 64 6.414 1.316 -0.293 1.00 0.00 O ATOM 1003 CB TRP A 64 6.939 -1.430 -1.601 1.00 0.00 C ATOM 1004 CG TRP A 64 5.956 -0.687 -2.453 1.00 0.00 C ATOM 1005 CD1 TRP A 64 6.072 -0.406 -3.785 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.707 -0.128 -2.032 1.00 0.00 C ATOM 1007 NE1 TRP A 64 4.971 0.294 -4.216 1.00 0.00 N ATOM 1008 CE2 TRP A 64 4.118 0.476 -3.160 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.027 -0.081 -0.811 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.885 1.119 -3.101 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.803 0.558 -0.755 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.241 1.150 -1.894 1.00 0.00 C ATOM 0 H TRP A 64 8.780 -2.307 -0.220 1.00 0.00 H new ATOM 0 HA TRP A 64 8.410 0.134 -1.519 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.532 -2.090 -2.234 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.396 -2.064 -0.900 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.907 -0.692 -4.408 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.814 0.625 -5.168 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.451 -0.536 0.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.452 1.578 -3.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.270 0.602 0.183 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.282 1.640 -1.818 1.00 0.00 H new ATOM 1023 N PHE A 65 7.137 0.051 1.421 1.00 0.00 N ATOM 1024 CA PHE A 65 6.414 0.813 2.432 1.00 0.00 C ATOM 1025 C PHE A 65 7.293 1.916 3.014 1.00 0.00 C ATOM 1026 O PHE A 65 6.843 3.045 3.206 1.00 0.00 O ATOM 1027 CB PHE A 65 5.930 -0.113 3.550 1.00 0.00 C ATOM 1028 CG PHE A 65 4.565 -0.688 3.303 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.345 -1.554 2.244 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.502 -0.364 4.131 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.089 -2.085 2.014 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.244 -0.892 3.906 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.038 -1.754 2.847 1.00 0.00 C ATOM 0 H PHE A 65 7.681 -0.729 1.790 1.00 0.00 H new ATOM 0 HA PHE A 65 5.551 1.276 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.643 -0.929 3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.918 0.440 4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.164 -1.817 1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.658 0.309 4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.930 -2.758 1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.423 -0.631 4.558 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.057 -2.169 2.670 1.00 0.00 H new ATOM 1043 N GLN A 66 8.548 1.579 3.292 1.00 0.00 N ATOM 1044 CA GLN A 66 9.490 2.540 3.853 1.00 0.00 C ATOM 1045 C GLN A 66 9.809 3.641 2.847 1.00 0.00 C ATOM 1046 O GLN A 66 10.077 4.781 3.224 1.00 0.00 O ATOM 1047 CB GLN A 66 10.779 1.834 4.279 1.00 0.00 C ATOM 1048 CG GLN A 66 11.768 1.635 3.142 1.00 0.00 C ATOM 1049 CD GLN A 66 13.103 1.096 3.618 1.00 0.00 C ATOM 1050 OE1 GLN A 66 14.056 1.851 3.813 1.00 0.00 O ATOM 1051 NE2 GLN A 66 13.179 -0.216 3.807 1.00 0.00 N ATOM 0 H GLN A 66 8.936 0.648 3.138 1.00 0.00 H new ATOM 0 HA GLN A 66 9.027 2.995 4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.257 2.414 5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.528 0.863 4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.342 0.947 2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.925 2.585 2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.364 -0.804 3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.052 -0.636 4.126 1.00 0.00 H new ATOM 1060 N ASN A 67 9.777 3.292 1.565 1.00 0.00 N ATOM 1061 CA ASN A 67 10.064 4.251 0.505 1.00 0.00 C ATOM 1062 C ASN A 67 8.894 5.211 0.308 1.00 0.00 C ATOM 1063 O ASN A 67 9.087 6.409 0.101 1.00 0.00 O ATOM 1064 CB ASN A 67 10.363 3.520 -0.806 1.00 0.00 C ATOM 1065 CG ASN A 67 11.791 3.013 -0.871 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.704 3.621 -0.311 1.00 0.00 O ATOM 1067 ND2 ASN A 67 11.991 1.894 -1.558 1.00 0.00 N ATOM 0 H ASN A 67 9.555 2.353 1.235 1.00 0.00 H new ATOM 0 HA ASN A 67 10.940 4.829 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.677 2.680 -0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.180 4.193 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.931 1.505 -1.637 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.205 1.423 -2.006 1.00 0.00 H new ATOM 1074 N THR A 68 7.679 4.675 0.375 1.00 0.00 N ATOM 1075 CA THR A 68 6.477 5.483 0.205 1.00 0.00 C ATOM 1076 C THR A 68 6.405 6.589 1.251 1.00 0.00 C ATOM 1077 O THR A 68 6.166 7.751 0.923 1.00 0.00 O ATOM 1078 CB THR A 68 5.204 4.621 0.297 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.276 3.539 -0.639 1.00 0.00 O ATOM 1080 CG2 THR A 68 3.964 5.457 0.019 1.00 0.00 C ATOM 0 H THR A 68 7.501 3.685 0.546 1.00 0.00 H new ATOM 0 HA THR A 68 6.534 5.930 -0.788 1.00 0.00 H new ATOM 0 HB THR A 68 5.134 4.221 1.309 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.766 2.791 -0.238 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.077 4.827 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.896 6.262 0.751 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.029 5.882 -0.983 1.00 0.00 H new ATOM 1088 N ARG A 69 6.614 6.220 2.511 1.00 0.00 N ATOM 1089 CA ARG A 69 6.572 7.182 3.605 1.00 0.00 C ATOM 1090 C ARG A 69 7.545 8.331 3.357 1.00 0.00 C ATOM 1091 O ARG A 69 7.183 9.501 3.480 1.00 0.00 O ATOM 1092 CB ARG A 69 6.906 6.495 4.930 1.00 0.00 C ATOM 1093 CG ARG A 69 5.689 5.936 5.650 1.00 0.00 C ATOM 1094 CD ARG A 69 5.962 5.738 7.133 1.00 0.00 C ATOM 1095 NE ARG A 69 5.807 6.978 7.889 1.00 0.00 N ATOM 1096 CZ ARG A 69 4.638 7.578 8.084 1.00 0.00 C ATOM 1097 NH1 ARG A 69 3.528 7.055 7.582 1.00 0.00 N ATOM 1098 NH2 ARG A 69 4.578 8.704 8.783 1.00 0.00 N ATOM 0 H ARG A 69 6.814 5.262 2.799 1.00 0.00 H new ATOM 0 HA ARG A 69 5.562 7.589 3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.610 5.685 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.408 7.209 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.845 6.614 5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.404 4.984 5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.281 4.984 7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.974 5.356 7.267 1.00 0.00 H new ATOM 0 HE ARG A 69 6.642 7.407 8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.570 6.189 7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.632 7.518 7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.430 9.109 9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.680 9.164 8.932 1.00 0.00 H new ATOM 1112 N ALA A 70 8.780 7.989 3.008 1.00 0.00 N ATOM 1113 CA ALA A 70 9.805 8.991 2.741 1.00 0.00 C ATOM 1114 C ALA A 70 9.328 9.999 1.701 1.00 0.00 C ATOM 1115 O ALA A 70 9.458 11.208 1.890 1.00 0.00 O ATOM 1116 CB ALA A 70 11.091 8.321 2.280 1.00 0.00 C ATOM 0 H ALA A 70 9.096 7.025 2.903 1.00 0.00 H new ATOM 0 HA ALA A 70 10.002 9.530 3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.847 9.081 2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.448 7.645 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.900 7.756 1.368 1.00 0.00 H new ATOM 1122 N ARG A 71 8.778 9.493 0.602 1.00 0.00 N ATOM 1123 CA ARG A 71 8.285 10.350 -0.470 1.00 0.00 C ATOM 1124 C ARG A 71 7.100 11.186 0.005 1.00 0.00 C ATOM 1125 O ARG A 71 6.988 12.365 -0.328 1.00 0.00 O ATOM 1126 CB ARG A 71 7.875 9.506 -1.679 1.00 0.00 C ATOM 1127 CG ARG A 71 9.012 8.682 -2.259 1.00 0.00 C ATOM 1128 CD ARG A 71 8.676 8.171 -3.651 1.00 0.00 C ATOM 1129 NE ARG A 71 9.870 7.772 -4.391 1.00 0.00 N ATOM 1130 CZ ARG A 71 9.847 6.953 -5.437 1.00 0.00 C ATOM 1131 NH1 ARG A 71 8.697 6.450 -5.864 1.00 0.00 N ATOM 1132 NH2 ARG A 71 10.976 6.637 -6.058 1.00 0.00 N ATOM 0 H ARG A 71 8.663 8.494 0.430 1.00 0.00 H new ATOM 0 HA ARG A 71 9.090 11.024 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.065 8.838 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.482 10.164 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.917 9.288 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.224 7.839 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.998 7.321 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.149 8.948 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 71 10.771 8.142 -4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.827 6.692 -5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.682 5.822 -6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.862 7.023 -5.732 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.958 6.008 -6.861 1.00 0.00 H new ATOM 1146 N GLU A 72 6.219 10.566 0.784 1.00 0.00 N ATOM 1147 CA GLU A 72 5.042 11.254 1.303 1.00 0.00 C ATOM 1148 C GLU A 72 5.445 12.460 2.146 1.00 0.00 C ATOM 1149 O GLU A 72 4.821 13.519 2.071 1.00 0.00 O ATOM 1150 CB GLU A 72 4.191 10.295 2.139 1.00 0.00 C ATOM 1151 CG GLU A 72 3.160 9.530 1.326 1.00 0.00 C ATOM 1152 CD GLU A 72 1.981 10.392 0.920 1.00 0.00 C ATOM 1153 OE1 GLU A 72 2.206 11.444 0.285 1.00 0.00 O ATOM 1154 OE2 GLU A 72 0.833 10.015 1.237 1.00 0.00 O ATOM 0 H GLU A 72 6.298 9.590 1.069 1.00 0.00 H new ATOM 0 HA GLU A 72 4.454 11.605 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.847 9.583 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.680 10.861 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.635 9.126 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.801 8.681 1.908 1.00 0.00 H new ATOM 1161 N ARG A 73 6.491 12.292 2.948 1.00 0.00 N ATOM 1162 CA ARG A 73 6.976 13.366 3.806 1.00 0.00 C ATOM 1163 C ARG A 73 7.760 14.396 2.998 1.00 0.00 C ATOM 1164 O ARG A 73 8.084 15.475 3.494 1.00 0.00 O ATOM 1165 CB ARG A 73 7.857 12.798 4.921 1.00 0.00 C ATOM 1166 CG ARG A 73 9.205 12.291 4.433 1.00 0.00 C ATOM 1167 CD ARG A 73 10.237 12.293 5.550 1.00 0.00 C ATOM 1168 NE ARG A 73 11.456 11.583 5.169 1.00 0.00 N ATOM 1169 CZ ARG A 73 12.386 11.203 6.037 1.00 0.00 C ATOM 1170 NH1 ARG A 73 12.238 11.462 7.329 1.00 0.00 N ATOM 1171 NH2 ARG A 73 13.468 10.561 5.614 1.00 0.00 N ATOM 0 H ARG A 73 7.019 11.422 3.022 1.00 0.00 H new ATOM 0 HA ARG A 73 6.112 13.860 4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.019 13.570 5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.327 11.981 5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.094 11.280 4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.555 12.916 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.484 13.321 5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.810 11.829 6.439 1.00 0.00 H new ATOM 0 HE ARG A 73 11.600 11.368 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.408 11.955 7.659 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.954 11.169 7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.586 10.359 4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.182 10.270 6.282 1.00 0.00 H new ATOM 1185 N LYS A 74 8.064 14.054 1.750 1.00 0.00 N ATOM 1186 CA LYS A 74 8.810 14.948 0.872 1.00 0.00 C ATOM 1187 C LYS A 74 7.896 16.016 0.280 1.00 0.00 C ATOM 1188 O LYS A 74 6.831 15.708 -0.255 1.00 0.00 O ATOM 1189 CB LYS A 74 9.477 14.152 -0.252 1.00 0.00 C ATOM 1190 CG LYS A 74 10.516 14.946 -1.025 1.00 0.00 C ATOM 1191 CD LYS A 74 11.437 14.034 -1.818 1.00 0.00 C ATOM 1192 CE LYS A 74 12.707 14.757 -2.241 1.00 0.00 C ATOM 1193 NZ LYS A 74 13.666 14.901 -1.111 1.00 0.00 N ATOM 0 H LYS A 74 7.805 13.164 1.324 1.00 0.00 H new ATOM 0 HA LYS A 74 9.580 15.442 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.950 13.267 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.710 13.803 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.016 15.638 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.105 15.547 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.696 13.163 -1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.915 13.666 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.183 14.209 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.452 15.743 -2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.563 15.290 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.267 15.543 -0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.838 13.970 -0.681 1.00 0.00 H new ATOM 1207 N SER A 75 8.320 17.272 0.377 1.00 0.00 N ATOM 1208 CA SER A 75 7.538 18.386 -0.147 1.00 0.00 C ATOM 1209 C SER A 75 7.324 18.239 -1.650 1.00 0.00 C ATOM 1210 O SER A 75 6.190 18.201 -2.127 1.00 0.00 O ATOM 1211 CB SER A 75 8.237 19.713 0.153 1.00 0.00 C ATOM 1212 OG SER A 75 8.051 20.093 1.506 1.00 0.00 O ATOM 0 H SER A 75 9.201 17.544 0.814 1.00 0.00 H new ATOM 0 HA SER A 75 6.565 18.378 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.302 19.623 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.846 20.490 -0.503 1.00 0.00 H new ATOM 0 HG SER A 75 8.509 20.943 1.673 1.00 0.00 H new ATOM 1218 N GLY A 76 8.424 18.157 -2.393 1.00 0.00 N ATOM 1219 CA GLY A 76 8.337 18.016 -3.835 1.00 0.00 C ATOM 1220 C GLY A 76 7.995 19.321 -4.526 1.00 0.00 C ATOM 1221 O GLY A 76 7.443 20.242 -3.922 1.00 0.00 O ATOM 0 H GLY A 76 9.374 18.186 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.287 17.644 -4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.580 17.270 -4.079 1.00 0.00 H new ATOM 1225 N PRO A 77 8.328 19.414 -5.822 1.00 0.00 N ATOM 1226 CA PRO A 77 8.063 20.613 -6.623 1.00 0.00 C ATOM 1227 C PRO A 77 6.575 20.815 -6.890 1.00 0.00 C ATOM 1228 O PRO A 77 6.087 21.945 -6.915 1.00 0.00 O ATOM 1229 CB PRO A 77 8.808 20.337 -7.931 1.00 0.00 C ATOM 1230 CG PRO A 77 8.879 18.851 -8.020 1.00 0.00 C ATOM 1231 CD PRO A 77 8.988 18.356 -6.605 1.00 0.00 C ATOM 0 HA PRO A 77 8.386 21.522 -6.116 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.279 20.760 -8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.803 20.781 -7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.992 18.447 -8.508 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.739 18.536 -8.611 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.493 17.393 -6.477 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.027 18.223 -6.305 1.00 0.00 H new ATOM 1239 N SER A 78 5.859 19.713 -7.087 1.00 0.00 N ATOM 1240 CA SER A 78 4.427 19.769 -7.356 1.00 0.00 C ATOM 1241 C SER A 78 3.625 19.486 -6.089 1.00 0.00 C ATOM 1242 O SER A 78 4.152 18.949 -5.115 1.00 0.00 O ATOM 1243 CB SER A 78 4.051 18.765 -8.446 1.00 0.00 C ATOM 1244 OG SER A 78 2.901 19.190 -9.157 1.00 0.00 O ATOM 0 H SER A 78 6.247 18.770 -7.065 1.00 0.00 H new ATOM 0 HA SER A 78 4.186 20.775 -7.701 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.885 18.644 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.865 17.789 -7.997 1.00 0.00 H new ATOM 0 HG SER A 78 2.683 18.532 -9.849 1.00 0.00 H new ATOM 1250 N SER A 79 2.348 19.852 -6.110 1.00 0.00 N ATOM 1251 CA SER A 79 1.473 19.642 -4.963 1.00 0.00 C ATOM 1252 C SER A 79 1.371 18.158 -4.622 1.00 0.00 C ATOM 1253 O SER A 79 1.145 17.323 -5.497 1.00 0.00 O ATOM 1254 CB SER A 79 0.080 20.208 -5.246 1.00 0.00 C ATOM 1255 OG SER A 79 -0.645 19.364 -6.123 1.00 0.00 O ATOM 0 H SER A 79 1.896 20.296 -6.909 1.00 0.00 H new ATOM 0 HA SER A 79 1.903 20.165 -4.109 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.467 20.321 -4.310 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.170 21.202 -5.684 1.00 0.00 H new ATOM 0 HG SER A 79 -1.532 19.747 -6.287 1.00 0.00 H new ATOM 1261 N GLY A 80 1.540 17.838 -3.343 1.00 0.00 N ATOM 1262 CA GLY A 80 1.464 16.455 -2.908 1.00 0.00 C ATOM 1263 C GLY A 80 1.520 16.319 -1.399 1.00 0.00 C ATOM 1264 O GLY A 80 1.205 17.261 -0.672 1.00 0.00 O ATOM 0 H GLY A 80 1.728 18.511 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.539 16.012 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.285 15.892 -3.351 1.00 0.00 H new TER 1268 GLY A 80