USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 541 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 57 THR OG1 : rot -60:sc= -1.11 USER MOD Set 1.2: A 60 ASN : amide:sc= -5.25! C(o=-6.4!,f=-11!) USER MOD Set 2.1: A 24 SER OG : rot -170:sc= -0.753 USER MOD Set 2.2: A 27 GLN : amide:sc= -0.65 K(o=-1.4,f=-2.4) USER MOD Set 3.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 59 GLN : amide:sc= -1.05! C(o=-1.1!,f=-2.4!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -150:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= -2.53! (180deg=-3.83!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -10.4! C(o=-10!,f=-10!) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.529 F(o=-1.6!,f=-0.53) USER MOD Single : A 55 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.25) USER MOD Single : A 61 CYS SG : rot 119:sc= -5.47! USER MOD Single : A 65 GLN : amide:sc= -0.0716 X(o=-0.072,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.0844 K(o=-0.084,f=-0.76) USER MOD Single : A 67 SER OG : rot -76:sc= -1.81 USER MOD Single : A 70 HIS : no HD1:sc= -0.495 X(o=-0.49,f=-0.24) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N MET A 3 7.334 -10.430 25.231 1.00 0.00 N ATOM 28 CA MET A 3 6.057 -10.490 25.989 1.00 0.00 C ATOM 29 C MET A 3 4.856 -10.252 25.069 1.00 0.00 C ATOM 30 O MET A 3 4.977 -9.816 23.935 1.00 0.00 O ATOM 31 CB MET A 3 6.073 -9.427 27.086 1.00 0.00 C ATOM 32 CG MET A 3 5.056 -9.784 28.172 1.00 0.00 C ATOM 33 SD MET A 3 5.856 -9.703 29.795 1.00 0.00 S ATOM 34 CE MET A 3 5.059 -11.154 30.532 1.00 0.00 C ATOM 0 HA MET A 3 5.962 -11.484 26.427 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.070 -9.354 27.519 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.838 -8.451 26.662 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.212 -9.095 28.136 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.659 -10.784 27.999 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.418 -11.287 31.552 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.979 -11.009 30.544 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.300 -12.040 29.944 1.00 0.00 H new ATOM 44 N ILE A 4 3.695 -10.545 25.577 1.00 0.00 N ATOM 45 CA ILE A 4 2.439 -10.354 24.809 1.00 0.00 C ATOM 46 C ILE A 4 2.066 -8.876 24.782 1.00 0.00 C ATOM 47 O ILE A 4 2.256 -8.158 25.744 1.00 0.00 O ATOM 48 CB ILE A 4 1.324 -11.090 25.534 1.00 0.00 C ATOM 49 CG1 ILE A 4 0.758 -12.188 24.634 1.00 0.00 C ATOM 50 CG2 ILE A 4 0.229 -10.081 25.876 1.00 0.00 C ATOM 51 CD1 ILE A 4 1.340 -13.537 25.054 1.00 0.00 C ATOM 0 H ILE A 4 3.562 -10.918 26.517 1.00 0.00 H new ATOM 0 HA ILE A 4 2.576 -10.725 23.793 1.00 0.00 H new ATOM 0 HB ILE A 4 1.706 -11.551 26.445 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.329 -12.210 24.708 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.003 -11.982 23.592 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.583 -10.588 26.398 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.640 -9.301 26.516 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.153 -9.634 24.958 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.938 -14.322 24.414 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.425 -13.511 24.958 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.072 -13.742 26.091 1.00 0.00 H new ATOM 63 N VAL A 5 1.469 -8.431 23.716 1.00 0.00 N ATOM 64 CA VAL A 5 1.011 -7.029 23.662 1.00 0.00 C ATOM 65 C VAL A 5 -0.502 -7.074 23.820 1.00 0.00 C ATOM 66 O VAL A 5 -1.155 -7.997 23.365 1.00 0.00 O ATOM 67 CB VAL A 5 1.368 -6.381 22.327 1.00 0.00 C ATOM 68 CG1 VAL A 5 2.097 -5.060 22.578 1.00 0.00 C ATOM 69 CG2 VAL A 5 2.278 -7.309 21.520 1.00 0.00 C ATOM 0 H VAL A 5 1.280 -8.983 22.880 1.00 0.00 H new ATOM 0 HA VAL A 5 1.490 -6.439 24.443 1.00 0.00 H new ATOM 0 HB VAL A 5 0.451 -6.198 21.767 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.352 -4.598 21.624 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.451 -4.390 23.145 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.009 -5.250 23.144 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.527 -6.838 20.569 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.193 -7.500 22.081 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.763 -8.252 21.334 1.00 0.00 H new ATOM 79 N PHE A 6 -1.060 -6.112 24.474 1.00 0.00 N ATOM 80 CA PHE A 6 -2.530 -6.119 24.684 1.00 0.00 C ATOM 81 C PHE A 6 -3.221 -5.449 23.504 1.00 0.00 C ATOM 82 O PHE A 6 -3.187 -4.254 23.368 1.00 0.00 O ATOM 83 CB PHE A 6 -2.846 -5.348 25.962 1.00 0.00 C ATOM 84 CG PHE A 6 -4.069 -5.947 26.616 1.00 0.00 C ATOM 85 CD1 PHE A 6 -4.121 -7.323 26.873 1.00 0.00 C ATOM 86 CD2 PHE A 6 -5.150 -5.128 26.957 1.00 0.00 C ATOM 87 CE1 PHE A 6 -5.255 -7.879 27.476 1.00 0.00 C ATOM 88 CE2 PHE A 6 -6.287 -5.684 27.559 1.00 0.00 C ATOM 89 CZ PHE A 6 -6.338 -7.060 27.819 1.00 0.00 C ATOM 0 H PHE A 6 -0.566 -5.316 24.876 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.886 -7.146 24.769 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.997 -5.389 26.645 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.020 -4.297 25.733 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.287 -7.954 26.606 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.109 -4.068 26.757 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.295 -8.939 27.677 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.123 -5.053 27.822 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.213 -7.489 28.284 1.00 0.00 H new ATOM 99 N VAL A 7 -3.865 -6.201 22.659 1.00 0.00 N ATOM 100 CA VAL A 7 -4.562 -5.569 21.501 1.00 0.00 C ATOM 101 C VAL A 7 -5.993 -5.236 21.901 1.00 0.00 C ATOM 102 O VAL A 7 -6.791 -6.116 22.154 1.00 0.00 O ATOM 103 CB VAL A 7 -4.600 -6.533 20.313 1.00 0.00 C ATOM 104 CG1 VAL A 7 -5.527 -5.964 19.232 1.00 0.00 C ATOM 105 CG2 VAL A 7 -3.188 -6.698 19.740 1.00 0.00 C ATOM 0 H VAL A 7 -3.941 -7.217 22.716 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.023 -4.665 21.217 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.971 -7.504 20.642 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.558 -6.647 18.383 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.531 -5.846 19.639 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.152 -4.994 18.904 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.217 -7.385 18.894 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.814 -5.729 19.408 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.527 -7.098 20.510 1.00 0.00 H new ATOM 115 N ARG A 8 -6.342 -3.981 21.944 1.00 0.00 N ATOM 116 CA ARG A 8 -7.739 -3.647 22.310 1.00 0.00 C ATOM 117 C ARG A 8 -8.541 -3.475 21.025 1.00 0.00 C ATOM 118 O ARG A 8 -8.564 -2.420 20.421 1.00 0.00 O ATOM 119 CB ARG A 8 -7.804 -2.349 23.128 1.00 0.00 C ATOM 120 CG ARG A 8 -6.519 -2.148 23.945 1.00 0.00 C ATOM 121 CD ARG A 8 -6.652 -2.805 25.322 1.00 0.00 C ATOM 122 NE ARG A 8 -7.831 -2.240 26.038 1.00 0.00 N ATOM 123 CZ ARG A 8 -7.926 -2.363 27.334 1.00 0.00 C ATOM 124 NH1 ARG A 8 -7.086 -1.735 28.112 1.00 0.00 N ATOM 125 NH2 ARG A 8 -8.858 -3.117 27.851 1.00 0.00 N ATOM 0 H ARG A 8 -5.732 -3.188 21.745 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.149 -4.451 22.921 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.950 -1.501 22.459 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.664 -2.380 23.797 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.671 -2.576 23.411 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.318 -1.083 24.061 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.764 -3.884 25.211 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.746 -2.637 25.905 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.563 -1.758 25.516 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.356 -1.149 27.707 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.160 -1.831 29.125 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.512 -3.610 27.242 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.933 -3.213 28.864 1.00 0.00 H new ATOM 139 N PHE A 9 -9.212 -4.512 20.623 1.00 0.00 N ATOM 140 CA PHE A 9 -10.040 -4.463 19.390 1.00 0.00 C ATOM 141 C PHE A 9 -11.354 -3.756 19.732 1.00 0.00 C ATOM 142 O PHE A 9 -11.910 -3.966 20.793 1.00 0.00 O ATOM 143 CB PHE A 9 -10.362 -5.896 18.974 1.00 0.00 C ATOM 144 CG PHE A 9 -9.717 -6.372 17.680 1.00 0.00 C ATOM 145 CD1 PHE A 9 -10.006 -5.825 16.414 1.00 0.00 C ATOM 146 CD2 PHE A 9 -8.921 -7.495 17.762 1.00 0.00 C ATOM 147 CE1 PHE A 9 -9.481 -6.414 15.272 1.00 0.00 C ATOM 148 CE2 PHE A 9 -8.423 -8.101 16.621 1.00 0.00 C ATOM 149 CZ PHE A 9 -8.711 -7.560 15.366 1.00 0.00 C ATOM 0 H PHE A 9 -9.222 -5.410 21.106 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.515 -3.941 18.590 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.055 -6.565 19.778 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.443 -5.991 18.875 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -10.634 -4.950 16.332 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.682 -7.908 18.731 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.675 -5.975 14.304 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.814 -8.989 16.701 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.334 -8.034 14.472 1.00 0.00 H new ATOM 223 N PHE A 15 -6.904 -9.168 21.739 1.00 0.00 N ATOM 224 CA PHE A 15 -6.056 -10.395 21.643 1.00 0.00 C ATOM 225 C PHE A 15 -4.648 -10.139 22.189 1.00 0.00 C ATOM 226 O PHE A 15 -3.968 -9.241 21.734 1.00 0.00 O ATOM 227 CB PHE A 15 -5.922 -10.810 20.176 1.00 0.00 C ATOM 228 CG PHE A 15 -7.282 -11.100 19.604 1.00 0.00 C ATOM 229 CD1 PHE A 15 -8.049 -10.060 19.078 1.00 0.00 C ATOM 230 CD2 PHE A 15 -7.775 -12.407 19.605 1.00 0.00 C ATOM 231 CE1 PHE A 15 -9.321 -10.329 18.549 1.00 0.00 C ATOM 232 CE2 PHE A 15 -9.044 -12.679 19.081 1.00 0.00 C ATOM 233 CZ PHE A 15 -9.817 -11.639 18.553 1.00 0.00 C ATOM 0 HA PHE A 15 -6.536 -11.178 22.230 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.439 -10.016 19.606 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.287 -11.692 20.094 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.665 -9.051 19.078 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.176 -13.209 20.011 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.917 -9.527 18.139 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.426 -13.689 19.084 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.797 -11.846 18.148 1.00 0.00 H new ATOM 243 N PRO A 16 -4.229 -10.972 23.111 1.00 0.00 N ATOM 244 CA PRO A 16 -2.880 -10.896 23.687 1.00 0.00 C ATOM 245 C PRO A 16 -1.924 -11.567 22.699 1.00 0.00 C ATOM 246 O PRO A 16 -1.655 -12.748 22.774 1.00 0.00 O ATOM 247 CB PRO A 16 -2.996 -11.692 24.990 1.00 0.00 C ATOM 248 CG PRO A 16 -4.206 -12.639 24.814 1.00 0.00 C ATOM 249 CD PRO A 16 -5.060 -12.057 23.669 1.00 0.00 C ATOM 0 HA PRO A 16 -2.511 -9.887 23.874 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.084 -12.258 25.183 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.144 -11.026 25.840 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.875 -13.650 24.575 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.785 -12.703 25.735 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.285 -12.813 22.917 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.014 -11.679 24.037 1.00 0.00 H new ATOM 257 N VAL A 17 -1.458 -10.819 21.742 1.00 0.00 N ATOM 258 CA VAL A 17 -0.565 -11.389 20.694 1.00 0.00 C ATOM 259 C VAL A 17 0.864 -11.526 21.205 1.00 0.00 C ATOM 260 O VAL A 17 1.319 -10.755 22.015 1.00 0.00 O ATOM 261 CB VAL A 17 -0.548 -10.433 19.517 1.00 0.00 C ATOM 262 CG1 VAL A 17 -0.143 -9.053 20.033 1.00 0.00 C ATOM 263 CG2 VAL A 17 0.470 -10.920 18.488 1.00 0.00 C ATOM 0 H VAL A 17 -1.659 -9.824 21.638 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.938 -12.374 20.414 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.530 -10.384 19.047 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.123 -8.346 19.204 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.864 -8.718 20.779 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.847 -9.110 20.485 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.486 -10.236 17.640 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.459 -10.956 18.944 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.192 -11.917 18.145 1.00 0.00 H new ATOM 273 N GLU A 18 1.589 -12.486 20.710 1.00 0.00 N ATOM 274 CA GLU A 18 2.998 -12.642 21.151 1.00 0.00 C ATOM 275 C GLU A 18 3.899 -11.922 20.146 1.00 0.00 C ATOM 276 O GLU A 18 3.995 -12.313 18.999 1.00 0.00 O ATOM 277 CB GLU A 18 3.354 -14.129 21.198 1.00 0.00 C ATOM 278 CG GLU A 18 4.848 -14.294 21.480 1.00 0.00 C ATOM 279 CD GLU A 18 5.459 -15.253 20.456 1.00 0.00 C ATOM 280 OE1 GLU A 18 4.710 -16.011 19.861 1.00 0.00 O ATOM 281 OE2 GLU A 18 6.666 -15.213 20.285 1.00 0.00 O ATOM 0 H GLU A 18 1.268 -13.167 20.022 1.00 0.00 H new ATOM 0 HA GLU A 18 3.135 -12.215 22.145 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.771 -14.628 21.972 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.098 -14.604 20.251 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.347 -13.326 21.430 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.998 -14.679 22.489 1.00 0.00 H new ATOM 288 N VAL A 19 4.559 -10.873 20.558 1.00 0.00 N ATOM 289 CA VAL A 19 5.441 -10.141 19.605 1.00 0.00 C ATOM 290 C VAL A 19 6.750 -9.788 20.294 1.00 0.00 C ATOM 291 O VAL A 19 6.835 -9.732 21.504 1.00 0.00 O ATOM 292 CB VAL A 19 4.757 -8.859 19.135 1.00 0.00 C ATOM 293 CG1 VAL A 19 3.255 -8.950 19.406 1.00 0.00 C ATOM 294 CG2 VAL A 19 5.345 -7.657 19.879 1.00 0.00 C ATOM 0 H VAL A 19 4.526 -10.494 21.504 1.00 0.00 H new ATOM 0 HA VAL A 19 5.637 -10.779 18.743 1.00 0.00 H new ATOM 0 HB VAL A 19 4.923 -8.733 18.065 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.769 -8.034 19.070 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.839 -9.801 18.867 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.085 -9.080 20.475 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.854 -6.744 19.541 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.186 -7.779 20.950 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.414 -7.591 19.676 1.00 0.00 H new ATOM 304 N ASP A 20 7.771 -9.543 19.533 1.00 0.00 N ATOM 305 CA ASP A 20 9.077 -9.186 20.138 1.00 0.00 C ATOM 306 C ASP A 20 9.291 -7.679 20.001 1.00 0.00 C ATOM 307 O ASP A 20 8.491 -6.982 19.409 1.00 0.00 O ATOM 308 CB ASP A 20 10.197 -9.938 19.416 1.00 0.00 C ATOM 309 CG ASP A 20 9.998 -11.445 19.600 1.00 0.00 C ATOM 310 OD1 ASP A 20 8.953 -11.827 20.102 1.00 0.00 O ATOM 311 OD2 ASP A 20 10.892 -12.191 19.236 1.00 0.00 O ATOM 0 H ASP A 20 7.758 -9.574 18.514 1.00 0.00 H new ATOM 0 HA ASP A 20 9.086 -9.462 21.192 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.194 -9.686 18.355 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.167 -9.637 19.812 1.00 0.00 H new ATOM 316 N SER A 21 10.364 -7.170 20.538 1.00 0.00 N ATOM 317 CA SER A 21 10.627 -5.707 20.428 1.00 0.00 C ATOM 318 C SER A 21 10.921 -5.347 18.968 1.00 0.00 C ATOM 319 O SER A 21 11.134 -4.200 18.633 1.00 0.00 O ATOM 320 CB SER A 21 11.842 -5.352 21.279 1.00 0.00 C ATOM 321 OG SER A 21 11.702 -5.926 22.571 1.00 0.00 O ATOM 0 H SER A 21 11.070 -7.702 21.048 1.00 0.00 H new ATOM 0 HA SER A 21 9.753 -5.154 20.773 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.752 -5.719 20.803 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.939 -4.269 21.359 1.00 0.00 H new ATOM 0 HG SER A 21 12.484 -5.699 23.116 1.00 0.00 H new ATOM 327 N ASP A 22 10.958 -6.321 18.100 1.00 0.00 N ATOM 328 CA ASP A 22 11.258 -6.036 16.672 1.00 0.00 C ATOM 329 C ASP A 22 10.016 -6.272 15.804 1.00 0.00 C ATOM 330 O ASP A 22 9.998 -5.918 14.641 1.00 0.00 O ATOM 331 CB ASP A 22 12.393 -6.950 16.200 1.00 0.00 C ATOM 332 CG ASP A 22 13.633 -6.717 17.066 1.00 0.00 C ATOM 333 OD1 ASP A 22 13.684 -5.696 17.731 1.00 0.00 O ATOM 334 OD2 ASP A 22 14.512 -7.563 17.046 1.00 0.00 O ATOM 0 H ASP A 22 10.793 -7.303 18.321 1.00 0.00 H new ATOM 0 HA ASP A 22 11.558 -4.992 16.576 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.084 -7.993 16.263 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.624 -6.749 15.154 1.00 0.00 H new ATOM 339 N THR A 23 8.969 -6.849 16.344 1.00 0.00 N ATOM 340 CA THR A 23 7.757 -7.067 15.524 1.00 0.00 C ATOM 341 C THR A 23 7.294 -5.700 15.012 1.00 0.00 C ATOM 342 O THR A 23 7.136 -4.761 15.761 1.00 0.00 O ATOM 343 CB THR A 23 6.704 -7.763 16.389 1.00 0.00 C ATOM 344 OG1 THR A 23 6.737 -9.162 16.140 1.00 0.00 O ATOM 345 CG2 THR A 23 5.331 -7.229 16.056 1.00 0.00 C ATOM 0 H THR A 23 8.910 -7.173 17.309 1.00 0.00 H new ATOM 0 HA THR A 23 7.945 -7.709 14.663 1.00 0.00 H new ATOM 0 HB THR A 23 6.920 -7.571 17.440 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.843 -9.540 16.276 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.586 -7.729 16.675 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.302 -6.156 16.247 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.113 -7.416 15.005 1.00 0.00 H new ATOM 353 N SER A 24 7.146 -5.566 13.725 1.00 0.00 N ATOM 354 CA SER A 24 6.763 -4.243 13.154 1.00 0.00 C ATOM 355 C SER A 24 5.450 -3.739 13.769 1.00 0.00 C ATOM 356 O SER A 24 5.133 -4.012 14.909 1.00 0.00 O ATOM 357 CB SER A 24 6.609 -4.366 11.634 1.00 0.00 C ATOM 358 OG SER A 24 7.179 -5.591 11.197 1.00 0.00 O ATOM 0 H SER A 24 7.273 -6.314 13.043 1.00 0.00 H new ATOM 0 HA SER A 24 7.549 -3.525 13.388 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.555 -4.325 11.360 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.099 -3.528 11.139 1.00 0.00 H new ATOM 0 HG SER A 24 7.224 -5.600 10.218 1.00 0.00 H new ATOM 364 N ILE A 25 4.689 -2.999 13.011 1.00 0.00 N ATOM 365 CA ILE A 25 3.401 -2.459 13.511 1.00 0.00 C ATOM 366 C ILE A 25 2.315 -2.872 12.534 1.00 0.00 C ATOM 367 O ILE A 25 1.223 -3.197 12.931 1.00 0.00 O ATOM 368 CB ILE A 25 3.489 -0.932 13.594 1.00 0.00 C ATOM 369 CG1 ILE A 25 4.528 -0.547 14.644 1.00 0.00 C ATOM 370 CG2 ILE A 25 2.127 -0.330 13.968 1.00 0.00 C ATOM 371 CD1 ILE A 25 4.300 -1.358 15.925 1.00 0.00 C ATOM 0 H ILE A 25 4.913 -2.743 12.049 1.00 0.00 H new ATOM 0 HA ILE A 25 3.175 -2.846 14.505 1.00 0.00 H new ATOM 0 HB ILE A 25 3.782 -0.540 12.620 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.531 -0.731 14.260 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.461 0.519 14.861 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.211 0.755 14.022 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.390 -0.600 13.212 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.811 -0.718 14.937 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.045 -1.078 16.670 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.303 -1.152 16.314 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.390 -2.421 15.703 1.00 0.00 H new ATOM 383 N LEU A 26 2.625 -2.959 11.261 1.00 0.00 N ATOM 384 CA LEU A 26 1.612 -3.455 10.314 1.00 0.00 C ATOM 385 C LEU A 26 1.656 -4.945 10.535 1.00 0.00 C ATOM 386 O LEU A 26 0.665 -5.637 10.507 1.00 0.00 O ATOM 387 CB LEU A 26 1.962 -3.090 8.878 1.00 0.00 C ATOM 388 CG LEU A 26 1.208 -4.008 7.919 1.00 0.00 C ATOM 389 CD1 LEU A 26 2.007 -5.297 7.784 1.00 0.00 C ATOM 390 CD2 LEU A 26 -0.217 -4.317 8.442 1.00 0.00 C ATOM 0 H LEU A 26 3.526 -2.709 10.854 1.00 0.00 H new ATOM 0 HA LEU A 26 0.623 -3.025 10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.701 -2.050 8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.036 -3.185 8.719 1.00 0.00 H new ATOM 0 HG LEU A 26 1.099 -3.517 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.492 -5.975 7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.998 -5.071 7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.104 -5.769 8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.729 -4.973 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.150 -4.809 9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.777 -3.387 8.544 1.00 0.00 H new ATOM 402 N GLN A 27 2.832 -5.408 10.862 1.00 0.00 N ATOM 403 CA GLN A 27 3.019 -6.820 11.213 1.00 0.00 C ATOM 404 C GLN A 27 2.056 -7.061 12.364 1.00 0.00 C ATOM 405 O GLN A 27 1.472 -8.115 12.512 1.00 0.00 O ATOM 406 CB GLN A 27 4.469 -6.986 11.673 1.00 0.00 C ATOM 407 CG GLN A 27 5.258 -7.751 10.608 1.00 0.00 C ATOM 408 CD GLN A 27 6.450 -8.451 11.261 1.00 0.00 C ATOM 409 OE1 GLN A 27 7.588 -8.159 10.949 1.00 0.00 O ATOM 410 NE2 GLN A 27 6.235 -9.367 12.163 1.00 0.00 N ATOM 0 H GLN A 27 3.681 -4.844 10.897 1.00 0.00 H new ATOM 0 HA GLN A 27 2.833 -7.515 10.395 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.921 -6.009 11.844 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.502 -7.523 12.621 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.615 -8.484 10.120 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.604 -7.066 9.834 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.280 -9.611 12.424 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.022 -9.839 12.608 1.00 0.00 H new ATOM 419 N LEU A 28 1.859 -6.034 13.151 1.00 0.00 N ATOM 420 CA LEU A 28 0.896 -6.112 14.286 1.00 0.00 C ATOM 421 C LEU A 28 -0.510 -6.280 13.720 1.00 0.00 C ATOM 422 O LEU A 28 -1.246 -7.161 14.109 1.00 0.00 O ATOM 423 CB LEU A 28 0.961 -4.795 15.068 1.00 0.00 C ATOM 424 CG LEU A 28 0.423 -5.003 16.474 1.00 0.00 C ATOM 425 CD1 LEU A 28 -0.970 -5.626 16.389 1.00 0.00 C ATOM 426 CD2 LEU A 28 1.376 -5.925 17.230 1.00 0.00 C ATOM 0 H LEU A 28 2.331 -5.135 13.052 1.00 0.00 H new ATOM 0 HA LEU A 28 1.140 -6.951 14.938 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.990 -4.438 15.112 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.379 -4.029 14.556 1.00 0.00 H new ATOM 0 HG LEU A 28 0.350 -4.052 17.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.362 -5.778 17.394 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.633 -4.960 15.837 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.909 -6.585 15.874 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.003 -6.084 18.242 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.442 -6.882 16.713 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.365 -5.468 17.276 1.00 0.00 H new ATOM 438 N LYS A 29 -0.888 -5.431 12.813 1.00 0.00 N ATOM 439 CA LYS A 29 -2.249 -5.526 12.225 1.00 0.00 C ATOM 440 C LYS A 29 -2.407 -6.870 11.511 1.00 0.00 C ATOM 441 O LYS A 29 -3.505 -7.341 11.298 1.00 0.00 O ATOM 442 CB LYS A 29 -2.453 -4.373 11.241 1.00 0.00 C ATOM 443 CG LYS A 29 -2.504 -3.050 12.013 1.00 0.00 C ATOM 444 CD LYS A 29 -1.265 -2.220 11.679 1.00 0.00 C ATOM 445 CE LYS A 29 -1.228 -0.925 12.508 1.00 0.00 C ATOM 446 NZ LYS A 29 -0.244 0.015 11.902 1.00 0.00 N ATOM 0 H LYS A 29 -0.311 -4.671 12.451 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.999 -5.459 13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.641 -4.352 10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.377 -4.517 10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.407 -2.498 11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.548 -3.243 13.085 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.367 -2.806 11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.262 -1.976 10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.217 -0.468 12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.951 -1.146 13.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.116 0.660 12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.547 -0.525 11.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.707 0.567 11.152 1.00 0.00 H new ATOM 460 N GLU A 30 -1.321 -7.496 11.139 1.00 0.00 N ATOM 461 CA GLU A 30 -1.428 -8.807 10.446 1.00 0.00 C ATOM 462 C GLU A 30 -1.747 -9.901 11.461 1.00 0.00 C ATOM 463 O GLU A 30 -2.665 -10.668 11.272 1.00 0.00 O ATOM 464 CB GLU A 30 -0.114 -9.143 9.748 1.00 0.00 C ATOM 465 CG GLU A 30 -0.070 -8.428 8.402 1.00 0.00 C ATOM 466 CD GLU A 30 0.875 -9.172 7.459 1.00 0.00 C ATOM 467 OE1 GLU A 30 0.893 -10.390 7.510 1.00 0.00 O ATOM 468 OE2 GLU A 30 1.564 -8.510 6.701 1.00 0.00 O ATOM 0 H GLU A 30 -0.371 -7.156 11.286 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.225 -8.746 9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.730 -8.835 10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.028 -10.220 9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.070 -8.382 7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.267 -7.400 8.535 1.00 0.00 H new ATOM 475 N VAL A 31 -0.999 -9.969 12.541 1.00 0.00 N ATOM 476 CA VAL A 31 -1.259 -11.014 13.579 1.00 0.00 C ATOM 477 C VAL A 31 -2.663 -10.809 14.132 1.00 0.00 C ATOM 478 O VAL A 31 -3.443 -11.732 14.221 1.00 0.00 O ATOM 479 CB VAL A 31 -0.233 -10.875 14.706 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.595 -11.828 15.847 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.157 -11.230 14.172 1.00 0.00 C ATOM 0 H VAL A 31 -0.220 -9.344 12.745 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.175 -12.009 13.142 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.234 -9.849 15.074 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.136 -11.729 16.650 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.586 -11.581 16.227 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.593 -12.854 15.479 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.890 -11.132 14.973 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.155 -12.257 13.806 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.417 -10.555 13.357 1.00 0.00 H new ATOM 491 N VAL A 32 -3.004 -9.600 14.469 1.00 0.00 N ATOM 492 CA VAL A 32 -4.375 -9.332 14.971 1.00 0.00 C ATOM 493 C VAL A 32 -5.340 -9.681 13.846 1.00 0.00 C ATOM 494 O VAL A 32 -6.397 -10.242 14.059 1.00 0.00 O ATOM 495 CB VAL A 32 -4.513 -7.849 15.318 1.00 0.00 C ATOM 496 CG1 VAL A 32 -5.968 -7.566 15.699 1.00 0.00 C ATOM 497 CG2 VAL A 32 -3.578 -7.507 16.482 1.00 0.00 C ATOM 0 H VAL A 32 -2.392 -8.786 14.418 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.585 -9.920 15.864 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.239 -7.234 14.461 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.080 -6.511 15.949 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.618 -7.811 14.859 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.243 -8.174 16.561 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.676 -6.450 16.729 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.843 -8.109 17.351 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.548 -7.718 16.195 1.00 0.00 H new ATOM 507 N ALA A 33 -4.958 -9.365 12.644 1.00 0.00 N ATOM 508 CA ALA A 33 -5.814 -9.680 11.475 1.00 0.00 C ATOM 509 C ALA A 33 -6.041 -11.196 11.443 1.00 0.00 C ATOM 510 O ALA A 33 -7.036 -11.684 10.945 1.00 0.00 O ATOM 511 CB ALA A 33 -5.095 -9.232 10.194 1.00 0.00 C ATOM 0 H ALA A 33 -4.080 -8.897 12.421 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.771 -9.163 11.546 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.717 -9.460 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.911 -8.158 10.236 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.145 -9.759 10.107 1.00 0.00 H new ATOM 517 N LYS A 34 -5.108 -11.933 11.980 1.00 0.00 N ATOM 518 CA LYS A 34 -5.216 -13.425 12.009 1.00 0.00 C ATOM 519 C LYS A 34 -6.364 -13.849 12.919 1.00 0.00 C ATOM 520 O LYS A 34 -7.218 -14.630 12.550 1.00 0.00 O ATOM 521 CB LYS A 34 -3.927 -14.016 12.593 1.00 0.00 C ATOM 522 CG LYS A 34 -2.720 -13.317 12.003 1.00 0.00 C ATOM 523 CD LYS A 34 -2.761 -13.388 10.475 1.00 0.00 C ATOM 524 CE LYS A 34 -1.603 -14.255 9.976 1.00 0.00 C ATOM 525 NZ LYS A 34 -2.070 -15.661 9.809 1.00 0.00 N ATOM 0 H LYS A 34 -4.260 -11.561 12.408 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.386 -13.779 10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.926 -13.907 13.677 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.878 -15.084 12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.700 -12.276 12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.806 -13.782 12.371 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.712 -13.806 10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.689 -12.386 10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.229 -13.870 9.027 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.775 -14.217 10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.283 -16.250 9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.407 -16.026 10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.846 -15.689 9.118 1.00 0.00 H new ATOM 539 N ARG A 35 -6.352 -13.364 14.122 1.00 0.00 N ATOM 540 CA ARG A 35 -7.401 -13.751 15.114 1.00 0.00 C ATOM 541 C ARG A 35 -8.807 -13.376 14.641 1.00 0.00 C ATOM 542 O ARG A 35 -9.772 -14.040 14.963 1.00 0.00 O ATOM 543 CB ARG A 35 -7.139 -13.025 16.429 1.00 0.00 C ATOM 544 CG ARG A 35 -5.848 -13.536 17.047 1.00 0.00 C ATOM 545 CD ARG A 35 -4.761 -12.513 16.767 1.00 0.00 C ATOM 546 NE ARG A 35 -3.653 -12.680 17.748 1.00 0.00 N ATOM 547 CZ ARG A 35 -3.536 -13.796 18.411 1.00 0.00 C ATOM 548 NH1 ARG A 35 -3.416 -14.928 17.772 1.00 0.00 N ATOM 549 NH2 ARG A 35 -3.540 -13.781 19.714 1.00 0.00 N ATOM 0 H ARG A 35 -5.654 -12.707 14.471 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.351 -14.833 15.236 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.070 -11.951 16.255 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.970 -13.184 17.116 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.969 -13.680 18.121 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.579 -14.504 16.624 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.383 -12.637 15.752 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.170 -11.505 16.834 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.987 -11.923 17.901 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.414 -14.940 16.752 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.325 -15.800 18.293 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.635 -12.897 20.214 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.449 -14.654 20.234 1.00 0.00 H new ATOM 563 N GLN A 36 -8.948 -12.296 13.934 1.00 0.00 N ATOM 564 CA GLN A 36 -10.310 -11.868 13.516 1.00 0.00 C ATOM 565 C GLN A 36 -10.562 -12.159 12.033 1.00 0.00 C ATOM 566 O GLN A 36 -11.663 -11.997 11.543 1.00 0.00 O ATOM 567 CB GLN A 36 -10.428 -10.377 13.805 1.00 0.00 C ATOM 568 CG GLN A 36 -10.329 -10.178 15.313 1.00 0.00 C ATOM 569 CD GLN A 36 -11.414 -9.210 15.785 1.00 0.00 C ATOM 570 OE1 GLN A 36 -11.123 -8.195 16.386 1.00 0.00 O ATOM 571 NE2 GLN A 36 -12.665 -9.486 15.537 1.00 0.00 N ATOM 0 H GLN A 36 -8.185 -11.692 13.627 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.062 -12.428 14.071 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.637 -9.827 13.296 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.376 -9.991 13.431 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.438 -11.136 15.822 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.345 -9.789 15.573 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.909 -10.338 15.032 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.399 -8.849 15.848 1.00 0.00 H new ATOM 580 N GLY A 37 -9.568 -12.592 11.313 1.00 0.00 N ATOM 581 CA GLY A 37 -9.778 -12.893 9.867 1.00 0.00 C ATOM 582 C GLY A 37 -9.961 -11.584 9.102 1.00 0.00 C ATOM 583 O GLY A 37 -10.414 -11.565 7.974 1.00 0.00 O ATOM 0 H GLY A 37 -8.622 -12.751 11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.925 -13.443 9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.655 -13.528 9.739 1.00 0.00 H new ATOM 587 N VAL A 38 -9.599 -10.492 9.709 1.00 0.00 N ATOM 588 CA VAL A 38 -9.733 -9.173 9.027 1.00 0.00 C ATOM 589 C VAL A 38 -8.360 -8.769 8.501 1.00 0.00 C ATOM 590 O VAL A 38 -7.349 -9.153 9.045 1.00 0.00 O ATOM 591 CB VAL A 38 -10.278 -8.128 10.018 1.00 0.00 C ATOM 592 CG1 VAL A 38 -10.193 -8.671 11.444 1.00 0.00 C ATOM 593 CG2 VAL A 38 -9.474 -6.828 9.937 1.00 0.00 C ATOM 0 H VAL A 38 -9.214 -10.453 10.653 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.434 -9.238 8.195 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.316 -7.923 9.755 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.580 -7.927 12.140 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.785 -9.583 11.522 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.154 -8.891 11.688 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.878 -6.106 10.646 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.431 -7.030 10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.540 -6.422 8.928 1.00 0.00 H new ATOM 603 N PRO A 39 -8.380 -8.029 7.434 1.00 0.00 N ATOM 604 CA PRO A 39 -7.158 -7.563 6.757 1.00 0.00 C ATOM 605 C PRO A 39 -6.432 -6.479 7.564 1.00 0.00 C ATOM 606 O PRO A 39 -6.991 -5.460 7.918 1.00 0.00 O ATOM 607 CB PRO A 39 -7.678 -7.028 5.419 1.00 0.00 C ATOM 608 CG PRO A 39 -9.180 -6.717 5.628 1.00 0.00 C ATOM 609 CD PRO A 39 -9.638 -7.577 6.811 1.00 0.00 C ATOM 0 HA PRO A 39 -6.415 -8.352 6.637 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.134 -6.132 5.121 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.540 -7.763 4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.332 -5.658 5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.754 -6.952 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.245 -7.002 7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.245 -8.420 6.480 1.00 0.00 H new ATOM 617 N ALA A 40 -5.170 -6.708 7.837 1.00 0.00 N ATOM 618 CA ALA A 40 -4.352 -5.722 8.606 1.00 0.00 C ATOM 619 C ALA A 40 -4.506 -4.339 7.985 1.00 0.00 C ATOM 620 O ALA A 40 -4.278 -3.328 8.622 1.00 0.00 O ATOM 621 CB ALA A 40 -2.887 -6.139 8.529 1.00 0.00 C ATOM 0 H ALA A 40 -4.667 -7.549 7.555 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.685 -5.695 9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.277 -5.428 9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.769 -7.134 8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.567 -6.153 7.487 1.00 0.00 H new ATOM 627 N ASP A 41 -4.882 -4.287 6.741 1.00 0.00 N ATOM 628 CA ASP A 41 -5.041 -2.970 6.066 1.00 0.00 C ATOM 629 C ASP A 41 -6.072 -2.124 6.817 1.00 0.00 C ATOM 630 O ASP A 41 -5.767 -1.067 7.329 1.00 0.00 O ATOM 631 CB ASP A 41 -5.507 -3.185 4.624 1.00 0.00 C ATOM 632 CG ASP A 41 -4.296 -3.447 3.726 1.00 0.00 C ATOM 633 OD1 ASP A 41 -3.565 -2.506 3.460 1.00 0.00 O ATOM 634 OD2 ASP A 41 -4.121 -4.583 3.317 1.00 0.00 O ATOM 0 H ASP A 41 -5.087 -5.100 6.160 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.083 -2.450 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.197 -4.028 4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.050 -2.308 4.272 1.00 0.00 H new ATOM 639 N GLN A 42 -7.290 -2.583 6.895 1.00 0.00 N ATOM 640 CA GLN A 42 -8.330 -1.801 7.623 1.00 0.00 C ATOM 641 C GLN A 42 -7.985 -1.810 9.110 1.00 0.00 C ATOM 642 O GLN A 42 -8.073 -0.809 9.792 1.00 0.00 O ATOM 643 CB GLN A 42 -9.696 -2.448 7.408 1.00 0.00 C ATOM 644 CG GLN A 42 -9.876 -2.782 5.928 1.00 0.00 C ATOM 645 CD GLN A 42 -11.348 -3.095 5.661 1.00 0.00 C ATOM 646 OE1 GLN A 42 -11.747 -4.242 5.658 1.00 0.00 O ATOM 647 NE2 GLN A 42 -12.177 -2.115 5.437 1.00 0.00 N ATOM 0 H GLN A 42 -7.610 -3.462 6.488 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.361 -0.776 7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.780 -3.354 8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.486 -1.773 7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.552 -1.944 5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.255 -3.636 5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.841 -1.152 5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.162 -2.311 5.259 1.00 0.00 H new ATOM 656 N LEU A 43 -7.568 -2.941 9.598 1.00 0.00 N ATOM 657 CA LEU A 43 -7.187 -3.067 11.030 1.00 0.00 C ATOM 658 C LEU A 43 -5.998 -2.156 11.309 1.00 0.00 C ATOM 659 O LEU A 43 -5.100 -2.041 10.499 1.00 0.00 O ATOM 660 CB LEU A 43 -6.757 -4.509 11.265 1.00 0.00 C ATOM 661 CG LEU A 43 -7.329 -5.030 12.573 1.00 0.00 C ATOM 662 CD1 LEU A 43 -8.832 -5.275 12.409 1.00 0.00 C ATOM 663 CD2 LEU A 43 -6.622 -6.341 12.909 1.00 0.00 C ATOM 0 H LEU A 43 -7.473 -3.800 9.055 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.021 -2.794 11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.095 -5.134 10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.669 -4.571 11.287 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.177 -4.306 13.374 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.244 -5.649 13.346 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.326 -4.341 12.142 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.997 -6.010 11.621 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.015 -6.737 13.845 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.794 -7.062 12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.552 -6.161 13.012 1.00 0.00 H new ATOM 675 N ARG A 44 -5.953 -1.520 12.448 1.00 0.00 N ATOM 676 CA ARG A 44 -4.776 -0.657 12.720 1.00 0.00 C ATOM 677 C ARG A 44 -4.541 -0.500 14.208 1.00 0.00 C ATOM 678 O ARG A 44 -5.345 0.032 14.945 1.00 0.00 O ATOM 679 CB ARG A 44 -4.929 0.692 12.038 1.00 0.00 C ATOM 680 CG ARG A 44 -4.051 0.663 10.790 1.00 0.00 C ATOM 681 CD ARG A 44 -4.931 0.730 9.545 1.00 0.00 C ATOM 682 NE ARG A 44 -4.416 1.782 8.625 1.00 0.00 N ATOM 683 CZ ARG A 44 -3.541 1.475 7.706 1.00 0.00 C ATOM 684 NH1 ARG A 44 -2.864 0.364 7.793 1.00 0.00 N ATOM 685 NH2 ARG A 44 -3.339 2.285 6.703 1.00 0.00 N ATOM 0 H ARG A 44 -6.660 -1.559 13.182 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.896 -1.146 12.302 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.970 0.874 11.773 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.624 1.498 12.705 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.356 1.502 10.802 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.451 -0.247 10.776 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.939 -0.236 9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.961 0.951 9.827 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.747 2.743 8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.018 -0.267 8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.181 0.126 7.074 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.864 3.157 6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.656 2.046 5.984 1.00 0.00 H new ATOM 699 N VAL A 45 -3.422 -0.990 14.635 1.00 0.00 N ATOM 700 CA VAL A 45 -3.042 -0.945 16.059 1.00 0.00 C ATOM 701 C VAL A 45 -2.300 0.348 16.381 1.00 0.00 C ATOM 702 O VAL A 45 -1.295 0.670 15.780 1.00 0.00 O ATOM 703 CB VAL A 45 -2.115 -2.120 16.317 1.00 0.00 C ATOM 704 CG1 VAL A 45 -2.112 -2.433 17.803 1.00 0.00 C ATOM 705 CG2 VAL A 45 -2.624 -3.326 15.538 1.00 0.00 C ATOM 0 H VAL A 45 -2.731 -1.436 14.031 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.935 -0.991 16.682 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.101 -1.879 15.997 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.448 -3.276 17.996 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.763 -1.562 18.358 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.123 -2.686 18.124 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.967 -4.177 15.715 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.633 -3.572 15.868 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.637 -3.092 14.473 1.00 0.00 H new ATOM 715 N ILE A 46 -2.775 1.075 17.346 1.00 0.00 N ATOM 716 CA ILE A 46 -2.092 2.329 17.737 1.00 0.00 C ATOM 717 C ILE A 46 -1.892 2.299 19.254 1.00 0.00 C ATOM 718 O ILE A 46 -2.824 2.197 20.019 1.00 0.00 O ATOM 719 CB ILE A 46 -2.944 3.508 17.288 1.00 0.00 C ATOM 720 CG1 ILE A 46 -3.089 3.433 15.758 1.00 0.00 C ATOM 721 CG2 ILE A 46 -2.266 4.826 17.684 1.00 0.00 C ATOM 722 CD1 ILE A 46 -4.516 3.815 15.364 1.00 0.00 C ATOM 0 H ILE A 46 -3.613 0.852 17.884 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.116 2.430 17.263 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.924 3.469 17.764 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.376 4.105 15.281 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.861 2.426 15.409 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.882 5.664 17.359 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.146 4.862 18.767 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.287 4.889 17.208 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.621 3.762 14.280 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.219 3.125 15.830 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.727 4.830 15.700 1.00 0.00 H new ATOM 734 N PHE A 47 -0.666 2.323 19.683 1.00 0.00 N ATOM 735 CA PHE A 47 -0.362 2.207 21.139 1.00 0.00 C ATOM 736 C PHE A 47 -0.429 3.546 21.865 1.00 0.00 C ATOM 737 O PHE A 47 0.182 4.511 21.470 1.00 0.00 O ATOM 738 CB PHE A 47 1.050 1.688 21.269 1.00 0.00 C ATOM 739 CG PHE A 47 1.593 2.161 22.576 1.00 0.00 C ATOM 740 CD1 PHE A 47 2.177 3.430 22.677 1.00 0.00 C ATOM 741 CD2 PHE A 47 1.515 1.325 23.680 1.00 0.00 C ATOM 742 CE1 PHE A 47 2.692 3.859 23.906 1.00 0.00 C ATOM 743 CE2 PHE A 47 2.035 1.746 24.912 1.00 0.00 C ATOM 744 CZ PHE A 47 2.626 3.013 25.023 1.00 0.00 C ATOM 0 H PHE A 47 0.152 2.419 19.082 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.104 1.546 21.586 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.062 0.599 21.222 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.667 2.049 20.446 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.230 4.074 21.812 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.055 0.352 23.591 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.139 4.838 23.994 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.981 1.096 25.773 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.031 3.338 25.970 1.00 0.00 H new ATOM 754 N ALA A 48 -1.126 3.579 22.971 1.00 0.00 N ATOM 755 CA ALA A 48 -1.209 4.829 23.782 1.00 0.00 C ATOM 756 C ALA A 48 -1.869 5.939 22.977 1.00 0.00 C ATOM 757 O ALA A 48 -1.863 7.091 23.366 1.00 0.00 O ATOM 758 CB ALA A 48 0.196 5.270 24.172 1.00 0.00 C ATOM 0 H ALA A 48 -1.645 2.787 23.350 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.804 4.631 24.674 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.139 6.183 24.765 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.674 4.486 24.759 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.782 5.457 23.272 1.00 0.00 H new ATOM 764 N GLY A 49 -2.436 5.610 21.861 1.00 0.00 N ATOM 765 CA GLY A 49 -3.096 6.653 21.036 1.00 0.00 C ATOM 766 C GLY A 49 -2.053 7.352 20.167 1.00 0.00 C ATOM 767 O GLY A 49 -2.320 8.379 19.573 1.00 0.00 O ATOM 0 H GLY A 49 -2.473 4.664 21.481 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.865 6.202 20.408 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.594 7.379 21.679 1.00 0.00 H new ATOM 771 N LYS A 50 -0.867 6.810 20.073 1.00 0.00 N ATOM 772 CA LYS A 50 0.165 7.461 19.232 1.00 0.00 C ATOM 773 C LYS A 50 0.135 6.815 17.849 1.00 0.00 C ATOM 774 O LYS A 50 0.269 5.617 17.707 1.00 0.00 O ATOM 775 CB LYS A 50 1.541 7.271 19.873 1.00 0.00 C ATOM 776 CG LYS A 50 1.415 7.397 21.393 1.00 0.00 C ATOM 777 CD LYS A 50 2.478 8.367 21.916 1.00 0.00 C ATOM 778 CE LYS A 50 1.946 9.098 23.150 1.00 0.00 C ATOM 779 NZ LYS A 50 2.994 9.110 24.212 1.00 0.00 N ATOM 0 H LYS A 50 -0.575 5.952 20.540 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.034 8.529 19.145 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.945 6.293 19.610 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.238 8.017 19.492 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.420 7.755 21.657 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.537 6.420 21.861 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.388 7.823 22.168 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.741 9.086 21.140 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.666 10.119 22.889 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.046 8.605 23.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.632 9.607 25.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.240 8.132 24.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.841 9.599 23.858 1.00 0.00 H new ATOM 793 N GLU A 51 -0.071 7.605 16.833 1.00 0.00 N ATOM 794 CA GLU A 51 -0.145 7.055 15.451 1.00 0.00 C ATOM 795 C GLU A 51 1.185 6.410 15.062 1.00 0.00 C ATOM 796 O GLU A 51 2.164 7.084 14.809 1.00 0.00 O ATOM 797 CB GLU A 51 -0.464 8.190 14.477 1.00 0.00 C ATOM 798 CG GLU A 51 -1.466 7.695 13.435 1.00 0.00 C ATOM 799 CD GLU A 51 -2.866 8.189 13.800 1.00 0.00 C ATOM 800 OE1 GLU A 51 -2.958 9.203 14.472 1.00 0.00 O ATOM 801 OE2 GLU A 51 -3.822 7.546 13.401 1.00 0.00 O ATOM 0 H GLU A 51 -0.192 8.615 16.901 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.927 6.297 15.411 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.875 9.043 15.017 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.448 8.532 13.988 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.187 8.058 12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.453 6.606 13.391 1.00 0.00 H new ATOM 808 N LEU A 52 1.225 5.106 15.001 1.00 0.00 N ATOM 809 CA LEU A 52 2.490 4.422 14.614 1.00 0.00 C ATOM 810 C LEU A 52 2.437 4.081 13.134 1.00 0.00 C ATOM 811 O LEU A 52 1.382 3.790 12.604 1.00 0.00 O ATOM 812 CB LEU A 52 2.655 3.111 15.386 1.00 0.00 C ATOM 813 CG LEU A 52 2.132 3.270 16.806 1.00 0.00 C ATOM 814 CD1 LEU A 52 2.609 2.098 17.667 1.00 0.00 C ATOM 815 CD2 LEU A 52 2.658 4.580 17.400 1.00 0.00 C ATOM 0 H LEU A 52 0.439 4.488 15.202 1.00 0.00 H new ATOM 0 HA LEU A 52 3.323 5.089 14.839 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.115 2.311 14.879 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.706 2.823 15.408 1.00 0.00 H new ATOM 0 HG LEU A 52 1.042 3.286 16.787 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.232 2.216 18.683 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.236 1.163 17.248 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.699 2.079 17.684 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.284 4.694 18.417 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.748 4.561 17.414 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.317 5.418 16.792 1.00 0.00 H new ATOM 827 N PRO A 53 3.579 4.080 12.517 1.00 0.00 N ATOM 828 CA PRO A 53 3.697 3.722 11.107 1.00 0.00 C ATOM 829 C PRO A 53 3.623 2.202 11.018 1.00 0.00 C ATOM 830 O PRO A 53 3.213 1.547 11.956 1.00 0.00 O ATOM 831 CB PRO A 53 5.076 4.245 10.709 1.00 0.00 C ATOM 832 CG PRO A 53 5.884 4.365 12.022 1.00 0.00 C ATOM 833 CD PRO A 53 4.855 4.429 13.167 1.00 0.00 C ATOM 0 HA PRO A 53 2.922 4.132 10.459 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.565 3.565 10.011 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.997 5.211 10.210 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.550 3.511 12.147 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.509 5.258 12.012 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.101 3.729 13.965 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.817 5.422 13.615 1.00 0.00 H new ATOM 841 N ASN A 54 4.006 1.624 9.929 1.00 0.00 N ATOM 842 CA ASN A 54 3.934 0.146 9.844 1.00 0.00 C ATOM 843 C ASN A 54 5.347 -0.435 9.746 1.00 0.00 C ATOM 844 O ASN A 54 5.609 -1.535 10.188 1.00 0.00 O ATOM 845 CB ASN A 54 3.139 -0.240 8.601 1.00 0.00 C ATOM 846 CG ASN A 54 3.362 0.808 7.509 1.00 0.00 C ATOM 847 OD1 ASN A 54 2.746 1.956 7.590 1.00 0.00 O flip ATOM 848 ND2 ASN A 54 4.101 0.580 6.573 1.00 0.00 N flip ATOM 0 H ASN A 54 4.363 2.100 9.100 1.00 0.00 H new ATOM 0 HA ASN A 54 3.446 -0.249 10.735 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.451 -1.222 8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.078 -0.310 8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.582 -0.317 6.510 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.241 1.286 5.850 1.00 0.00 H new ATOM 855 N HIS A 55 6.253 0.293 9.154 1.00 0.00 N ATOM 856 CA HIS A 55 7.647 -0.223 9.008 1.00 0.00 C ATOM 857 C HIS A 55 8.440 -0.027 10.306 1.00 0.00 C ATOM 858 O HIS A 55 9.592 -0.404 10.393 1.00 0.00 O ATOM 859 CB HIS A 55 8.352 0.520 7.871 1.00 0.00 C ATOM 860 CG HIS A 55 8.658 1.928 8.305 1.00 0.00 C ATOM 861 ND1 HIS A 55 7.790 2.980 8.062 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.730 2.471 8.973 1.00 0.00 C ATOM 863 CE1 HIS A 55 8.349 4.093 8.575 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.532 3.838 9.141 1.00 0.00 N ATOM 0 H HIS A 55 6.091 1.222 8.765 1.00 0.00 H new ATOM 0 HA HIS A 55 7.598 -1.289 8.784 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.273 0.003 7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.720 0.531 6.983 1.00 0.00 H new ATOM 0 HD2 HIS A 55 10.594 1.921 9.315 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.896 5.073 8.534 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.156 4.503 9.598 1.00 0.00 H new ATOM 872 N LEU A 56 7.851 0.552 11.317 1.00 0.00 N ATOM 873 CA LEU A 56 8.609 0.749 12.590 1.00 0.00 C ATOM 874 C LEU A 56 8.604 -0.555 13.393 1.00 0.00 C ATOM 875 O LEU A 56 7.904 -1.491 13.066 1.00 0.00 O ATOM 876 CB LEU A 56 7.967 1.867 13.413 1.00 0.00 C ATOM 877 CG LEU A 56 8.623 3.206 13.060 1.00 0.00 C ATOM 878 CD1 LEU A 56 8.091 4.293 13.996 1.00 0.00 C ATOM 879 CD2 LEU A 56 10.141 3.093 13.218 1.00 0.00 C ATOM 0 H LEU A 56 6.890 0.894 11.320 1.00 0.00 H new ATOM 0 HA LEU A 56 9.637 1.028 12.357 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.896 1.911 13.213 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.084 1.662 14.477 1.00 0.00 H new ATOM 0 HG LEU A 56 8.387 3.465 12.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.556 5.247 13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.010 4.375 13.881 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.327 4.032 15.028 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.605 4.047 12.966 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.381 2.834 14.249 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.520 2.318 12.551 1.00 0.00 H new ATOM 891 N THR A 57 9.393 -0.630 14.433 1.00 0.00 N ATOM 892 CA THR A 57 9.446 -1.884 15.242 1.00 0.00 C ATOM 893 C THR A 57 8.526 -1.777 16.459 1.00 0.00 C ATOM 894 O THR A 57 7.979 -0.734 16.751 1.00 0.00 O ATOM 895 CB THR A 57 10.881 -2.133 15.707 1.00 0.00 C ATOM 896 OG1 THR A 57 11.574 -0.894 15.786 1.00 0.00 O ATOM 897 CG2 THR A 57 11.573 -3.050 14.699 1.00 0.00 C ATOM 0 H THR A 57 10.002 0.121 14.757 1.00 0.00 H new ATOM 0 HA THR A 57 9.111 -2.715 14.621 1.00 0.00 H new ATOM 0 HB THR A 57 10.879 -2.603 16.690 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.582 -0.467 14.904 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.598 -3.235 15.020 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.035 -3.996 14.639 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.580 -2.574 13.719 1.00 0.00 H new ATOM 905 N VAL A 58 8.349 -2.862 17.162 1.00 0.00 N ATOM 906 CA VAL A 58 7.461 -2.846 18.358 1.00 0.00 C ATOM 907 C VAL A 58 8.030 -1.899 19.420 1.00 0.00 C ATOM 908 O VAL A 58 7.330 -1.087 19.986 1.00 0.00 O ATOM 909 CB VAL A 58 7.377 -4.263 18.933 1.00 0.00 C ATOM 910 CG1 VAL A 58 6.970 -4.196 20.405 1.00 0.00 C ATOM 911 CG2 VAL A 58 6.333 -5.061 18.151 1.00 0.00 C ATOM 0 H VAL A 58 8.783 -3.762 16.958 1.00 0.00 H new ATOM 0 HA VAL A 58 6.469 -2.500 18.069 1.00 0.00 H new ATOM 0 HB VAL A 58 8.349 -4.749 18.850 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.911 -5.205 20.812 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.711 -3.623 20.962 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.997 -3.712 20.492 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.269 -6.071 18.556 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.362 -4.573 18.237 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.623 -5.109 17.101 1.00 0.00 H new ATOM 921 N GLN A 59 9.298 -1.995 19.689 1.00 0.00 N ATOM 922 CA GLN A 59 9.926 -1.109 20.713 1.00 0.00 C ATOM 923 C GLN A 59 10.319 0.223 20.079 1.00 0.00 C ATOM 924 O GLN A 59 11.097 0.981 20.624 1.00 0.00 O ATOM 925 CB GLN A 59 11.188 -1.788 21.211 1.00 0.00 C ATOM 926 CG GLN A 59 10.997 -2.237 22.663 1.00 0.00 C ATOM 927 CD GLN A 59 12.325 -2.117 23.414 1.00 0.00 C ATOM 928 OE1 GLN A 59 13.195 -2.954 23.268 1.00 0.00 O ATOM 929 NE2 GLN A 59 12.521 -1.106 24.217 1.00 0.00 N ATOM 0 H GLN A 59 9.935 -2.654 19.242 1.00 0.00 H new ATOM 0 HA GLN A 59 9.223 -0.932 21.526 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.422 -2.647 20.583 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.033 -1.103 21.141 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.237 -1.624 23.147 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.642 -3.267 22.692 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.792 -0.404 24.340 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.403 -1.019 24.721 1.00 0.00 H new ATOM 938 N ASN A 60 9.796 0.503 18.931 1.00 0.00 N ATOM 939 CA ASN A 60 10.141 1.782 18.241 1.00 0.00 C ATOM 940 C ASN A 60 9.223 2.889 18.740 1.00 0.00 C ATOM 941 O ASN A 60 9.660 3.884 19.286 1.00 0.00 O ATOM 942 CB ASN A 60 9.973 1.619 16.728 1.00 0.00 C ATOM 943 CG ASN A 60 11.256 2.063 16.023 1.00 0.00 C ATOM 944 OD1 ASN A 60 11.717 1.410 15.109 1.00 0.00 O ATOM 945 ND2 ASN A 60 11.860 3.152 16.419 1.00 0.00 N ATOM 0 H ASN A 60 9.140 -0.096 18.430 1.00 0.00 H new ATOM 0 HA ASN A 60 11.177 2.041 18.459 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.753 0.579 16.485 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.129 2.213 16.379 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.719 3.454 15.960 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.472 3.700 17.187 1.00 0.00 H new ATOM 952 N CYS A 61 7.948 2.710 18.569 1.00 0.00 N ATOM 953 CA CYS A 61 6.981 3.728 19.044 1.00 0.00 C ATOM 954 C CYS A 61 6.981 3.707 20.569 1.00 0.00 C ATOM 955 O CYS A 61 6.518 4.631 21.207 1.00 0.00 O ATOM 956 CB CYS A 61 5.594 3.381 18.508 1.00 0.00 C ATOM 957 SG CYS A 61 5.751 2.876 16.777 1.00 0.00 S ATOM 0 H CYS A 61 7.532 1.896 18.117 1.00 0.00 H new ATOM 0 HA CYS A 61 7.255 4.722 18.692 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.151 2.578 19.097 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.930 4.241 18.592 1.00 0.00 H new ATOM 0 HG CYS A 61 5.339 1.650 16.643 1.00 0.00 H new ATOM 963 N ASP A 62 7.511 2.641 21.133 1.00 0.00 N ATOM 964 CA ASP A 62 7.593 2.474 22.614 1.00 0.00 C ATOM 965 C ASP A 62 6.579 1.429 23.071 1.00 0.00 C ATOM 966 O ASP A 62 6.071 1.496 24.172 1.00 0.00 O ATOM 967 CB ASP A 62 7.329 3.795 23.343 1.00 0.00 C ATOM 968 CG ASP A 62 7.836 3.692 24.785 1.00 0.00 C ATOM 969 OD1 ASP A 62 8.438 2.682 25.107 1.00 0.00 O ATOM 970 OD2 ASP A 62 7.611 4.624 25.540 1.00 0.00 O ATOM 0 H ASP A 62 7.900 1.860 20.605 1.00 0.00 H new ATOM 0 HA ASP A 62 8.603 2.146 22.860 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.831 4.614 22.827 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.262 4.020 23.336 1.00 0.00 H new ATOM 975 N LEU A 63 6.292 0.441 22.259 1.00 0.00 N ATOM 976 CA LEU A 63 5.325 -0.602 22.722 1.00 0.00 C ATOM 977 C LEU A 63 6.045 -1.454 23.767 1.00 0.00 C ATOM 978 O LEU A 63 5.877 -1.277 24.958 1.00 0.00 O ATOM 979 CB LEU A 63 4.894 -1.474 21.562 1.00 0.00 C ATOM 980 CG LEU A 63 4.118 -0.611 20.582 1.00 0.00 C ATOM 981 CD1 LEU A 63 4.694 -0.820 19.199 1.00 0.00 C ATOM 982 CD2 LEU A 63 2.643 -1.008 20.607 1.00 0.00 C ATOM 0 H LEU A 63 6.673 0.312 21.322 1.00 0.00 H new ATOM 0 HA LEU A 63 4.434 -0.135 23.142 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.763 -1.915 21.074 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.275 -2.298 21.916 1.00 0.00 H new ATOM 0 HG LEU A 63 4.198 0.441 20.857 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.148 -0.207 18.481 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.746 -0.533 19.196 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.604 -1.870 18.922 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.087 -0.388 19.903 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.543 -2.056 20.324 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.244 -0.864 21.611 1.00 0.00 H new ATOM 994 N GLU A 64 6.887 -2.346 23.317 1.00 0.00 N ATOM 995 CA GLU A 64 7.676 -3.187 24.267 1.00 0.00 C ATOM 996 C GLU A 64 6.793 -4.217 24.975 1.00 0.00 C ATOM 997 O GLU A 64 5.590 -4.069 25.069 1.00 0.00 O ATOM 998 CB GLU A 64 8.313 -2.277 25.319 1.00 0.00 C ATOM 999 CG GLU A 64 9.702 -2.802 25.682 1.00 0.00 C ATOM 1000 CD GLU A 64 10.080 -2.325 27.086 1.00 0.00 C ATOM 1001 OE1 GLU A 64 9.215 -1.792 27.762 1.00 0.00 O ATOM 1002 OE2 GLU A 64 11.227 -2.500 27.461 1.00 0.00 O ATOM 0 H GLU A 64 7.064 -2.530 22.329 1.00 0.00 H new ATOM 0 HA GLU A 64 8.437 -3.722 23.699 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.387 -1.259 24.936 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.684 -2.238 26.209 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.712 -3.891 25.642 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.436 -2.450 24.957 1.00 0.00 H new ATOM 1009 N GLN A 65 7.408 -5.253 25.494 1.00 0.00 N ATOM 1010 CA GLN A 65 6.657 -6.313 26.231 1.00 0.00 C ATOM 1011 C GLN A 65 5.542 -5.667 27.056 1.00 0.00 C ATOM 1012 O GLN A 65 5.790 -4.801 27.870 1.00 0.00 O ATOM 1013 CB GLN A 65 7.623 -7.047 27.171 1.00 0.00 C ATOM 1014 CG GLN A 65 8.543 -6.034 27.860 1.00 0.00 C ATOM 1015 CD GLN A 65 9.919 -6.660 28.092 1.00 0.00 C ATOM 1016 OE1 GLN A 65 10.345 -6.815 29.218 1.00 0.00 O ATOM 1017 NE2 GLN A 65 10.635 -7.026 27.066 1.00 0.00 N ATOM 0 H GLN A 65 8.414 -5.409 25.436 1.00 0.00 H new ATOM 0 HA GLN A 65 6.222 -7.017 25.522 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.062 -7.610 27.917 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.216 -7.767 26.608 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.639 -5.139 27.245 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.110 -5.723 28.811 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.276 -6.895 26.120 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.555 -7.443 27.209 1.00 0.00 H new ATOM 1026 N GLN A 66 4.314 -6.062 26.840 1.00 0.00 N ATOM 1027 CA GLN A 66 3.197 -5.449 27.599 1.00 0.00 C ATOM 1028 C GLN A 66 2.945 -4.067 27.003 1.00 0.00 C ATOM 1029 O GLN A 66 3.747 -3.163 27.143 1.00 0.00 O ATOM 1030 CB GLN A 66 3.581 -5.322 29.076 1.00 0.00 C ATOM 1031 CG GLN A 66 2.319 -5.133 29.916 1.00 0.00 C ATOM 1032 CD GLN A 66 2.385 -3.785 30.638 1.00 0.00 C ATOM 1033 OE1 GLN A 66 2.782 -2.792 30.059 1.00 0.00 O ATOM 1034 NE2 GLN A 66 2.013 -3.708 31.886 1.00 0.00 N ATOM 0 H GLN A 66 4.042 -6.782 26.171 1.00 0.00 H new ATOM 0 HA GLN A 66 2.300 -6.064 27.533 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.117 -6.214 29.401 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.254 -4.476 29.216 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.436 -5.174 29.279 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.227 -5.942 30.641 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.680 -4.541 32.371 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.055 -2.815 32.377 1.00 0.00 H new ATOM 1043 N SER A 67 1.858 -3.900 26.315 1.00 0.00 N ATOM 1044 CA SER A 67 1.573 -2.586 25.680 1.00 0.00 C ATOM 1045 C SER A 67 0.115 -2.556 25.272 1.00 0.00 C ATOM 1046 O SER A 67 -0.338 -3.382 24.507 1.00 0.00 O ATOM 1047 CB SER A 67 2.449 -2.433 24.440 1.00 0.00 C ATOM 1048 OG SER A 67 3.334 -1.337 24.623 1.00 0.00 O ATOM 0 H SER A 67 1.150 -4.618 26.163 1.00 0.00 H new ATOM 0 HA SER A 67 1.783 -1.774 26.376 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.016 -3.348 24.266 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.828 -2.270 23.559 1.00 0.00 H new ATOM 0 HG SER A 67 2.843 -0.497 24.507 1.00 0.00 H new ATOM 1054 N ILE A 68 -0.633 -1.621 25.760 1.00 0.00 N ATOM 1055 CA ILE A 68 -2.046 -1.576 25.383 1.00 0.00 C ATOM 1056 C ILE A 68 -2.153 -0.801 24.073 1.00 0.00 C ATOM 1057 O ILE A 68 -1.711 0.325 23.957 1.00 0.00 O ATOM 1058 CB ILE A 68 -2.813 -0.913 26.515 1.00 0.00 C ATOM 1059 CG1 ILE A 68 -3.408 -1.992 27.421 1.00 0.00 C ATOM 1060 CG2 ILE A 68 -3.930 -0.066 25.944 1.00 0.00 C ATOM 1061 CD1 ILE A 68 -2.318 -2.988 27.839 1.00 0.00 C ATOM 0 H ILE A 68 -0.323 -0.891 26.401 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.470 -2.568 25.227 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.137 -0.281 27.090 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.850 -1.533 28.305 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.209 -2.515 26.899 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.479 0.409 26.757 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.509 0.701 25.294 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.608 -0.697 25.369 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.752 -3.752 28.484 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.896 -3.459 26.951 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.531 -2.461 28.379 1.00 0.00 H new ATOM 1073 N VAL A 69 -2.698 -1.431 23.077 1.00 0.00 N ATOM 1074 CA VAL A 69 -2.811 -0.799 21.742 1.00 0.00 C ATOM 1075 C VAL A 69 -4.286 -0.578 21.400 1.00 0.00 C ATOM 1076 O VAL A 69 -5.167 -1.084 22.058 1.00 0.00 O ATOM 1077 CB VAL A 69 -2.193 -1.719 20.687 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -1.048 -0.984 19.985 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -1.643 -2.983 21.348 1.00 0.00 C ATOM 0 H VAL A 69 -3.077 -2.376 23.134 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.288 0.157 21.755 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.960 -1.996 19.964 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.605 -1.636 19.232 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.433 -0.085 19.505 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.290 -0.708 20.718 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.206 -3.630 20.588 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.879 -2.710 22.076 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.452 -3.511 21.853 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.561 0.165 20.369 1.00 0.00 N ATOM 1090 CA HIS A 70 -5.975 0.406 19.981 1.00 0.00 C ATOM 1091 C HIS A 70 -6.159 0.019 18.513 1.00 0.00 C ATOM 1092 O HIS A 70 -5.705 0.705 17.618 1.00 0.00 O ATOM 1093 CB HIS A 70 -6.303 1.889 20.163 1.00 0.00 C ATOM 1094 CG HIS A 70 -7.703 2.042 20.698 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -8.281 3.285 20.904 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -8.650 1.121 21.079 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -9.521 3.081 21.387 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -9.797 1.780 21.513 1.00 0.00 N ATOM 0 H HIS A 70 -3.865 0.618 19.776 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.639 -0.191 20.606 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.590 2.347 20.849 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.209 2.411 19.211 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.523 0.049 21.047 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.209 3.873 21.642 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.662 1.360 21.854 1.00 0.00 H new ATOM 1106 N ILE A 71 -6.820 -1.077 18.256 1.00 0.00 N ATOM 1107 CA ILE A 71 -7.030 -1.509 16.855 1.00 0.00 C ATOM 1108 C ILE A 71 -8.192 -0.720 16.242 1.00 0.00 C ATOM 1109 O ILE A 71 -9.171 -0.420 16.895 1.00 0.00 O ATOM 1110 CB ILE A 71 -7.288 -3.021 16.813 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -8.712 -3.320 16.511 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -6.912 -3.708 18.121 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -8.761 -3.724 15.054 1.00 0.00 C ATOM 0 H ILE A 71 -7.224 -1.691 18.963 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.137 -1.305 16.265 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.654 -3.410 16.017 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.085 -4.121 17.149 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.340 -2.448 16.694 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.113 -4.776 18.042 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.852 -3.552 18.322 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.502 -3.288 18.935 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.789 -3.956 14.775 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.394 -2.904 14.437 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.135 -4.603 14.899 1.00 0.00 H new ATOM 1125 N VAL A 72 -8.080 -0.374 14.991 1.00 0.00 N ATOM 1126 CA VAL A 72 -9.161 0.399 14.322 1.00 0.00 C ATOM 1127 C VAL A 72 -9.363 -0.155 12.911 1.00 0.00 C ATOM 1128 O VAL A 72 -8.454 -0.164 12.104 1.00 0.00 O ATOM 1129 CB VAL A 72 -8.758 1.875 14.251 1.00 0.00 C ATOM 1130 CG1 VAL A 72 -9.669 2.626 13.274 1.00 0.00 C ATOM 1131 CG2 VAL A 72 -8.890 2.497 15.642 1.00 0.00 C ATOM 0 H VAL A 72 -7.279 -0.596 14.399 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.090 0.310 14.885 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.727 1.948 13.903 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.372 3.674 13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.581 2.184 12.281 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -10.703 2.555 13.612 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.605 3.548 15.599 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.923 2.415 15.981 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.237 1.972 16.339 1.00 0.00 H new ATOM 1141 N GLN A 73 -10.543 -0.625 12.607 1.00 0.00 N ATOM 1142 CA GLN A 73 -10.793 -1.181 11.249 1.00 0.00 C ATOM 1143 C GLN A 73 -11.866 -0.357 10.533 1.00 0.00 C ATOM 1144 O GLN A 73 -13.014 -0.338 10.928 1.00 0.00 O ATOM 1145 CB GLN A 73 -11.263 -2.632 11.365 1.00 0.00 C ATOM 1146 CG GLN A 73 -11.304 -3.258 9.972 1.00 0.00 C ATOM 1147 CD GLN A 73 -12.313 -4.410 9.955 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -12.598 -5.030 11.067 1.00 0.00 O flip ATOM 1149 NE2 GLN A 73 -12.847 -4.749 8.917 1.00 0.00 N flip ATOM 0 H GLN A 73 -11.342 -0.647 13.240 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.867 -1.140 10.676 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.589 -3.195 12.010 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.251 -2.672 11.824 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.582 -2.507 9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.315 -3.624 9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.625 -4.265 8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.517 -5.518 8.916 1.00 0.00 H new