USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 681 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 35 HIS : no HE2:sc= 0.00893 K(o=0.38,f=-3.8) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.371 K(o=0.38,f=-2.6!) USER MOD Single : A 5 THR OG1 : rot -130:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 137:sc= -0.301 (180deg=-1.51!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.86) USER MOD Single : A 37 SER OG : rot 136:sc= -1.01 USER MOD Single : A 38 ASN : amide:sc= -2.41! C(o=-2.4!,f=-6!) USER MOD Single : A 44 GLN : amide:sc= -1.9 K(o=-1.9,f=-0.66) USER MOD Single : A 47 MET CE :methyl -154:sc= -1.98! (180deg=-3.33!) USER MOD Single : A 48 HIS : no HD1:sc= -0.0167 K(o=-0.017,f=-2.7!) USER MOD Single : A 51 MET CE :methyl 161:sc=-0.00483 (180deg=-0.269) USER MOD Single : A 57 TYR OH : rot 125:sc= 0.134 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.577 K(o=-0.58,f=-2.2!) USER MOD Single : A 75 THR OG1 : rot 86:sc= 0.721 USER MOD Single : A 76 GLN : amide:sc= 0.0519 K(o=0.052,f=-4.4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N VAL A 3 -3.328 -13.899 15.780 1.00 0.00 N ATOM 28 CA VAL A 3 -3.115 -14.946 16.784 1.00 0.00 C ATOM 29 C VAL A 3 -1.715 -14.840 17.372 1.00 0.00 C ATOM 30 O VAL A 3 -0.727 -14.739 16.643 1.00 0.00 O ATOM 31 CB VAL A 3 -3.303 -16.326 16.149 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.766 -16.497 15.743 1.00 0.00 C ATOM 33 CG2 VAL A 3 -2.411 -16.454 14.909 1.00 0.00 C ATOM 0 HA VAL A 3 -3.845 -14.814 17.583 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.027 -17.097 16.869 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.906 -17.479 15.290 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.401 -16.411 16.625 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.037 -15.724 15.024 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.549 -17.438 14.461 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.681 -15.685 14.185 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.367 -16.330 15.197 1.00 0.00 H new ATOM 43 N TRP A 4 -1.639 -14.860 18.698 1.00 0.00 N ATOM 44 CA TRP A 4 -0.357 -14.762 19.379 1.00 0.00 C ATOM 45 C TRP A 4 0.317 -16.123 19.450 1.00 0.00 C ATOM 46 O TRP A 4 -0.069 -16.983 20.243 1.00 0.00 O ATOM 47 CB TRP A 4 -0.567 -14.226 20.795 1.00 0.00 C ATOM 48 CG TRP A 4 -1.052 -12.816 20.720 1.00 0.00 C ATOM 49 CD1 TRP A 4 -2.329 -12.423 20.929 1.00 0.00 C ATOM 50 CD2 TRP A 4 -0.295 -11.609 20.416 1.00 0.00 C ATOM 51 NE1 TRP A 4 -2.404 -11.051 20.773 1.00 0.00 N ATOM 52 CE2 TRP A 4 -1.176 -10.503 20.458 1.00 0.00 C ATOM 53 CE3 TRP A 4 1.058 -11.371 20.115 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -0.731 -9.206 20.204 1.00 0.00 C ATOM 55 CZ3 TRP A 4 1.509 -10.066 19.860 1.00 0.00 C ATOM 56 CH2 TRP A 4 0.616 -8.986 19.905 1.00 0.00 C ATOM 0 H TRP A 4 -2.445 -14.943 19.318 1.00 0.00 H new ATOM 0 HA TRP A 4 0.283 -14.081 18.817 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.290 -14.844 21.327 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.366 -14.273 21.356 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.155 -13.074 21.177 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -3.262 -10.510 20.878 1.00 0.00 H new ATOM 0 HE3 TRP A 4 1.754 -12.196 20.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.423 -8.377 20.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.550 -9.893 19.628 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.969 -7.984 19.709 1.00 0.00 H new ATOM 67 N THR A 5 1.342 -16.303 18.622 1.00 0.00 N ATOM 68 CA THR A 5 2.101 -17.554 18.583 1.00 0.00 C ATOM 69 C THR A 5 3.483 -17.358 19.208 1.00 0.00 C ATOM 70 O THR A 5 3.964 -18.213 19.952 1.00 0.00 O ATOM 71 CB THR A 5 2.247 -18.038 17.116 1.00 0.00 C ATOM 72 OG1 THR A 5 1.368 -17.292 16.285 1.00 0.00 O ATOM 73 CG2 THR A 5 1.902 -19.529 17.004 1.00 0.00 C ATOM 0 H THR A 5 1.669 -15.595 17.965 1.00 0.00 H new ATOM 0 HA THR A 5 1.562 -18.308 19.157 1.00 0.00 H new ATOM 0 HB THR A 5 3.279 -17.890 16.799 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.846 -17.906 15.727 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.010 -19.851 15.968 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.577 -20.107 17.636 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.874 -19.690 17.329 1.00 0.00 H new ATOM 81 N PRO A 6 4.126 -16.261 18.913 1.00 0.00 N ATOM 82 CA PRO A 6 5.487 -15.959 19.443 1.00 0.00 C ATOM 83 C PRO A 6 5.532 -16.003 20.964 1.00 0.00 C ATOM 84 O PRO A 6 4.515 -15.811 21.629 1.00 0.00 O ATOM 85 CB PRO A 6 5.775 -14.545 18.908 1.00 0.00 C ATOM 86 CG PRO A 6 4.909 -14.418 17.703 1.00 0.00 C ATOM 87 CD PRO A 6 3.637 -15.180 18.045 1.00 0.00 C ATOM 0 HA PRO A 6 6.229 -16.692 19.127 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.536 -13.784 19.650 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.828 -14.424 18.654 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.694 -13.373 17.481 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.395 -14.838 16.822 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.912 -14.547 18.557 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.147 -15.569 17.153 1.00 0.00 H new ATOM 95 N GLU A 7 6.718 -16.263 21.506 1.00 0.00 N ATOM 96 CA GLU A 7 6.885 -16.332 22.952 1.00 0.00 C ATOM 97 C GLU A 7 6.122 -15.196 23.624 1.00 0.00 C ATOM 98 O GLU A 7 5.830 -15.252 24.814 1.00 0.00 O ATOM 99 CB GLU A 7 8.365 -16.237 23.317 1.00 0.00 C ATOM 100 CG GLU A 7 9.092 -17.493 22.833 1.00 0.00 C ATOM 101 CD GLU A 7 10.586 -17.372 23.118 1.00 0.00 C ATOM 102 OE1 GLU A 7 10.986 -16.349 23.648 1.00 0.00 O ATOM 103 OE2 GLU A 7 11.306 -18.303 22.801 1.00 0.00 O ATOM 0 H GLU A 7 7.570 -16.428 20.970 1.00 0.00 H new ATOM 0 HA GLU A 7 6.490 -17.286 23.301 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.806 -15.350 22.862 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.478 -16.131 24.396 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.688 -18.373 23.333 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.927 -17.630 21.764 1.00 0.00 H new ATOM 110 N VAL A 8 5.789 -14.168 22.850 1.00 0.00 N ATOM 111 CA VAL A 8 5.050 -13.033 23.386 1.00 0.00 C ATOM 112 C VAL A 8 3.895 -13.526 24.250 1.00 0.00 C ATOM 113 O VAL A 8 3.412 -12.811 25.126 1.00 0.00 O ATOM 114 CB VAL A 8 4.505 -12.174 22.241 1.00 0.00 C ATOM 115 CG1 VAL A 8 3.589 -11.082 22.802 1.00 0.00 C ATOM 116 CG2 VAL A 8 5.672 -11.527 21.496 1.00 0.00 C ATOM 0 H VAL A 8 6.017 -14.098 21.858 1.00 0.00 H new ATOM 0 HA VAL A 8 5.724 -12.431 23.996 1.00 0.00 H new ATOM 0 HB VAL A 8 3.935 -12.803 21.557 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.204 -10.474 21.983 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.757 -11.543 23.334 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.153 -10.451 23.488 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.288 -10.915 20.680 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.240 -10.901 22.184 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.321 -12.304 21.092 1.00 0.00 H new ATOM 126 N LEU A 9 3.459 -14.758 24.002 1.00 0.00 N ATOM 127 CA LEU A 9 2.364 -15.336 24.774 1.00 0.00 C ATOM 128 C LEU A 9 2.899 -15.980 26.048 1.00 0.00 C ATOM 129 O LEU A 9 2.499 -15.621 27.155 1.00 0.00 O ATOM 130 CB LEU A 9 1.629 -16.392 23.938 1.00 0.00 C ATOM 131 CG LEU A 9 0.460 -16.990 24.742 1.00 0.00 C ATOM 132 CD1 LEU A 9 -0.546 -15.888 25.122 1.00 0.00 C ATOM 133 CD2 LEU A 9 -0.232 -18.065 23.894 1.00 0.00 C ATOM 0 H LEU A 9 3.842 -15.369 23.281 1.00 0.00 H new ATOM 0 HA LEU A 9 1.670 -14.539 25.040 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.255 -15.942 23.019 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.321 -17.182 23.647 1.00 0.00 H new ATOM 0 HG LEU A 9 0.842 -17.437 25.660 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.367 -16.325 25.690 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.046 -15.133 25.729 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.938 -15.425 24.216 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.061 -18.494 24.456 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.610 -17.616 22.975 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.483 -18.850 23.647 1.00 0.00 H new ATOM 145 N LYS A 10 3.801 -16.938 25.877 1.00 0.00 N ATOM 146 CA LYS A 10 4.384 -17.637 27.014 1.00 0.00 C ATOM 147 C LYS A 10 5.186 -16.674 27.878 1.00 0.00 C ATOM 148 O LYS A 10 5.124 -16.726 29.104 1.00 0.00 O ATOM 149 CB LYS A 10 5.292 -18.761 26.520 1.00 0.00 C ATOM 150 CG LYS A 10 5.798 -19.570 27.718 1.00 0.00 C ATOM 151 CD LYS A 10 6.634 -20.765 27.233 1.00 0.00 C ATOM 152 CE LYS A 10 8.067 -20.319 26.917 1.00 0.00 C ATOM 153 NZ LYS A 10 8.666 -19.693 28.128 1.00 0.00 N ATOM 0 H LYS A 10 4.143 -17.247 24.967 1.00 0.00 H new ATOM 0 HA LYS A 10 3.577 -18.058 27.614 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.747 -19.409 25.834 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.134 -18.346 25.966 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.400 -18.935 28.368 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.954 -19.923 28.311 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.648 -21.542 27.997 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.177 -21.200 26.344 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.665 -21.174 26.602 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.065 -19.609 26.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.643 -20.029 28.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.666 -18.659 28.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.108 -19.954 28.966 1.00 0.00 H new ATOM 167 N ALA A 11 5.936 -15.796 27.227 1.00 0.00 N ATOM 168 CA ALA A 11 6.749 -14.822 27.940 1.00 0.00 C ATOM 169 C ALA A 11 5.880 -14.028 28.903 1.00 0.00 C ATOM 170 O ALA A 11 6.264 -13.783 30.047 1.00 0.00 O ATOM 171 CB ALA A 11 7.408 -13.864 26.943 1.00 0.00 C ATOM 0 H ALA A 11 5.998 -15.738 26.211 1.00 0.00 H new ATOM 0 HA ALA A 11 7.521 -15.350 28.500 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.015 -13.138 27.483 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.041 -14.429 26.259 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.637 -13.342 26.376 1.00 0.00 H new ATOM 177 N ARG A 12 4.702 -13.634 28.436 1.00 0.00 N ATOM 178 CA ARG A 12 3.782 -12.873 29.269 1.00 0.00 C ATOM 179 C ARG A 12 3.323 -13.711 30.455 1.00 0.00 C ATOM 180 O ARG A 12 3.290 -13.235 31.591 1.00 0.00 O ATOM 181 CB ARG A 12 2.565 -12.452 28.436 1.00 0.00 C ATOM 182 CG ARG A 12 2.954 -11.363 27.421 1.00 0.00 C ATOM 183 CD ARG A 12 2.955 -9.985 28.091 1.00 0.00 C ATOM 184 NE ARG A 12 3.395 -8.962 27.147 1.00 0.00 N ATOM 185 CZ ARG A 12 4.008 -7.857 27.562 1.00 0.00 C ATOM 186 NH1 ARG A 12 4.233 -7.672 28.835 1.00 0.00 N ATOM 187 NH2 ARG A 12 4.383 -6.957 26.697 1.00 0.00 N ATOM 0 H ARG A 12 4.364 -13.827 27.493 1.00 0.00 H new ATOM 0 HA ARG A 12 4.296 -11.987 29.642 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.160 -13.317 27.912 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.779 -12.080 29.093 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.941 -11.576 27.010 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.253 -11.368 26.586 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.954 -9.749 28.453 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.614 -9.996 28.959 1.00 0.00 H new ATOM 0 HE ARG A 12 3.229 -9.097 26.150 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.939 -8.375 29.512 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.703 -6.824 29.152 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.206 -7.100 25.703 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.853 -6.109 27.014 1.00 0.00 H new ATOM 201 N ALA A 13 2.983 -14.964 30.187 1.00 0.00 N ATOM 202 CA ALA A 13 2.540 -15.862 31.243 1.00 0.00 C ATOM 203 C ALA A 13 3.698 -16.175 32.184 1.00 0.00 C ATOM 204 O ALA A 13 3.520 -16.280 33.397 1.00 0.00 O ATOM 205 CB ALA A 13 2.004 -17.158 30.634 1.00 0.00 C ATOM 0 H ALA A 13 3.005 -15.379 29.255 1.00 0.00 H new ATOM 0 HA ALA A 13 1.745 -15.376 31.808 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.674 -17.825 31.430 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.163 -16.932 29.979 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.792 -17.643 30.058 1.00 0.00 H new ATOM 211 N SER A 14 4.887 -16.319 31.605 1.00 0.00 N ATOM 212 CA SER A 14 6.091 -16.618 32.377 1.00 0.00 C ATOM 213 C SER A 14 6.801 -15.330 32.769 1.00 0.00 C ATOM 214 O SER A 14 7.887 -15.361 33.347 1.00 0.00 O ATOM 215 CB SER A 14 7.034 -17.494 31.553 1.00 0.00 C ATOM 216 OG SER A 14 6.462 -18.787 31.406 1.00 0.00 O ATOM 0 H SER A 14 5.043 -16.233 30.601 1.00 0.00 H new ATOM 0 HA SER A 14 5.801 -17.152 33.282 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.204 -17.045 30.574 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.005 -17.566 32.044 1.00 0.00 H new ATOM 0 HG SER A 14 7.063 -19.352 30.877 1.00 0.00 H new ATOM 222 N VAL A 15 6.179 -14.199 32.443 1.00 0.00 N ATOM 223 CA VAL A 15 6.752 -12.894 32.758 1.00 0.00 C ATOM 224 C VAL A 15 8.098 -12.711 32.066 1.00 0.00 C ATOM 225 O VAL A 15 8.221 -11.929 31.123 1.00 0.00 O ATOM 226 CB VAL A 15 6.932 -12.754 34.270 1.00 0.00 C ATOM 227 CG1 VAL A 15 7.294 -11.307 34.610 1.00 0.00 C ATOM 228 CG2 VAL A 15 5.628 -13.135 34.975 1.00 0.00 C ATOM 0 H VAL A 15 5.280 -14.161 31.962 1.00 0.00 H new ATOM 0 HA VAL A 15 6.067 -12.126 32.399 1.00 0.00 H new ATOM 0 HB VAL A 15 7.732 -13.415 34.604 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.422 -11.208 35.688 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.223 -11.037 34.108 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.495 -10.644 34.277 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.755 -13.036 36.053 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.828 -12.475 34.641 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.372 -14.166 34.733 1.00 0.00 H new ATOM 238 N ILE A 16 9.107 -13.437 32.542 1.00 0.00 N ATOM 239 CA ILE A 16 10.451 -13.355 31.969 1.00 0.00 C ATOM 240 C ILE A 16 10.725 -14.552 31.067 1.00 0.00 C ATOM 241 O ILE A 16 10.406 -15.691 31.411 1.00 0.00 O ATOM 242 CB ILE A 16 11.489 -13.302 33.092 1.00 0.00 C ATOM 243 CG1 ILE A 16 11.207 -14.415 34.105 1.00 0.00 C ATOM 244 CG2 ILE A 16 11.410 -11.946 33.794 1.00 0.00 C ATOM 245 CD1 ILE A 16 12.323 -14.445 35.150 1.00 0.00 C ATOM 0 H ILE A 16 9.021 -14.088 33.322 1.00 0.00 H new ATOM 0 HA ILE A 16 10.519 -12.447 31.369 1.00 0.00 H new ATOM 0 HB ILE A 16 12.485 -13.439 32.671 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.245 -14.246 34.589 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.144 -15.377 33.597 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.149 -11.907 34.594 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.611 -11.152 33.075 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.413 -11.811 34.214 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.124 -15.237 35.872 1.00 0.00 H new ATOM 0 HD12 ILE A 16 13.277 -14.634 34.658 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.364 -13.486 35.666 1.00 0.00 H new ATOM 257 N GLY A 17 11.312 -14.284 29.906 1.00 0.00 N ATOM 258 CA GLY A 17 11.625 -15.342 28.953 1.00 0.00 C ATOM 259 C GLY A 17 12.971 -15.978 29.277 1.00 0.00 C ATOM 260 O GLY A 17 13.954 -15.282 29.533 1.00 0.00 O ATOM 0 H GLY A 17 11.580 -13.348 29.603 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.843 -16.101 28.976 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.644 -14.934 27.942 1.00 0.00 H new ATOM 264 N LYS A 18 13.009 -17.308 29.260 1.00 0.00 N ATOM 265 CA LYS A 18 14.240 -18.037 29.548 1.00 0.00 C ATOM 266 C LYS A 18 14.233 -19.394 28.849 1.00 0.00 C ATOM 267 O LYS A 18 14.443 -20.430 29.480 1.00 0.00 O ATOM 268 CB LYS A 18 14.387 -18.237 31.058 1.00 0.00 C ATOM 269 CG LYS A 18 14.608 -16.883 31.739 1.00 0.00 C ATOM 270 CD LYS A 18 15.120 -17.104 33.164 1.00 0.00 C ATOM 271 CE LYS A 18 14.051 -17.825 33.988 1.00 0.00 C ATOM 272 NZ LYS A 18 14.374 -17.696 35.437 1.00 0.00 N ATOM 0 H LYS A 18 12.205 -17.900 29.051 1.00 0.00 H new ATOM 0 HA LYS A 18 15.083 -17.454 29.177 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.494 -18.716 31.460 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.226 -18.901 31.267 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.326 -16.292 31.171 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.676 -16.318 31.760 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.037 -17.693 33.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.365 -16.147 33.625 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.069 -17.398 33.783 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.007 -18.877 33.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.649 -18.185 35.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.304 -18.122 35.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.395 -16.690 35.700 1.00 0.00 H new ATOM 286 N PRO A 19 14.002 -19.400 27.562 1.00 0.00 N ATOM 287 CA PRO A 19 13.974 -20.653 26.749 1.00 0.00 C ATOM 288 C PRO A 19 15.359 -21.288 26.629 1.00 0.00 C ATOM 289 O PRO A 19 16.379 -20.615 26.784 1.00 0.00 O ATOM 290 CB PRO A 19 13.442 -20.190 25.384 1.00 0.00 C ATOM 291 CG PRO A 19 13.806 -18.744 25.302 1.00 0.00 C ATOM 292 CD PRO A 19 13.741 -18.209 26.733 1.00 0.00 C ATOM 0 HA PRO A 19 13.355 -21.428 27.201 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.893 -20.758 24.570 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.364 -20.331 25.311 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.804 -18.616 24.883 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.117 -18.205 24.653 1.00 0.00 H new ATOM 0 HD2 PRO A 19 14.485 -17.431 26.904 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.767 -17.773 26.954 1.00 0.00 H new ATOM 300 N ILE A 20 15.382 -22.586 26.352 1.00 0.00 N ATOM 301 CA ILE A 20 16.641 -23.304 26.209 1.00 0.00 C ATOM 302 C ILE A 20 17.290 -22.975 24.879 1.00 0.00 C ATOM 303 O ILE A 20 16.661 -23.091 23.835 1.00 0.00 O ATOM 304 CB ILE A 20 16.395 -24.812 26.301 1.00 0.00 C ATOM 305 CG1 ILE A 20 17.733 -25.550 26.209 1.00 0.00 C ATOM 306 CG2 ILE A 20 15.477 -25.259 25.157 1.00 0.00 C ATOM 307 CD1 ILE A 20 17.520 -27.039 26.498 1.00 0.00 C ATOM 0 H ILE A 20 14.548 -23.159 26.223 1.00 0.00 H new ATOM 0 HA ILE A 20 17.309 -22.996 27.013 1.00 0.00 H new ATOM 0 HB ILE A 20 15.916 -25.044 27.252 1.00 0.00 H new ATOM 0 HG12 ILE A 20 18.164 -25.420 25.216 1.00 0.00 H new ATOM 0 HG13 ILE A 20 18.442 -25.129 26.922 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.305 -26.333 25.227 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.525 -24.734 25.228 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.948 -25.028 24.201 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.474 -27.563 26.432 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.108 -27.160 27.500 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.826 -27.456 25.768 1.00 0.00 H new ATOM 319 N GLY A 21 18.554 -22.563 24.920 1.00 0.00 N ATOM 320 CA GLY A 21 19.268 -22.220 23.695 1.00 0.00 C ATOM 321 C GLY A 21 19.828 -23.468 23.031 1.00 0.00 C ATOM 322 O GLY A 21 20.774 -24.075 23.533 1.00 0.00 O ATOM 0 H GLY A 21 19.099 -22.460 25.776 1.00 0.00 H new ATOM 0 HA2 GLY A 21 18.595 -21.707 23.008 1.00 0.00 H new ATOM 0 HA3 GLY A 21 20.079 -21.528 23.923 1.00 0.00 H new ATOM 326 N GLU A 22 19.239 -23.836 21.897 1.00 0.00 N ATOM 327 CA GLU A 22 19.680 -25.012 21.157 1.00 0.00 C ATOM 328 C GLU A 22 18.910 -25.134 19.843 1.00 0.00 C ATOM 329 O GLU A 22 17.894 -24.470 19.644 1.00 0.00 O ATOM 330 CB GLU A 22 19.468 -26.274 22.008 1.00 0.00 C ATOM 331 CG GLU A 22 20.071 -27.490 21.300 1.00 0.00 C ATOM 332 CD GLU A 22 20.175 -28.659 22.271 1.00 0.00 C ATOM 333 OE1 GLU A 22 19.571 -28.581 23.329 1.00 0.00 O ATOM 334 OE2 GLU A 22 20.858 -29.615 21.944 1.00 0.00 O ATOM 0 H GLU A 22 18.457 -23.338 21.472 1.00 0.00 H new ATOM 0 HA GLU A 22 20.741 -24.906 20.931 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.932 -26.145 22.986 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.403 -26.433 22.179 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.452 -27.769 20.447 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.058 -27.242 20.910 1.00 0.00 H new ATOM 341 N SER A 23 19.396 -25.995 18.955 1.00 0.00 N ATOM 342 CA SER A 23 18.743 -26.203 17.670 1.00 0.00 C ATOM 343 C SER A 23 17.258 -26.492 17.874 1.00 0.00 C ATOM 344 O SER A 23 16.425 -26.121 17.048 1.00 0.00 O ATOM 345 CB SER A 23 19.400 -27.374 16.938 1.00 0.00 C ATOM 346 OG SER A 23 20.711 -26.999 16.535 1.00 0.00 O ATOM 0 H SER A 23 20.235 -26.557 19.101 1.00 0.00 H new ATOM 0 HA SER A 23 18.849 -25.298 17.071 1.00 0.00 H new ATOM 0 HB2 SER A 23 19.443 -28.247 17.589 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.806 -27.654 16.068 1.00 0.00 H new ATOM 0 HG SER A 23 21.136 -27.748 16.067 1.00 0.00 H new ATOM 352 N TYR A 24 16.935 -27.152 18.982 1.00 0.00 N ATOM 353 CA TYR A 24 15.546 -27.476 19.287 1.00 0.00 C ATOM 354 C TYR A 24 14.732 -26.202 19.476 1.00 0.00 C ATOM 355 O TYR A 24 13.546 -26.161 19.149 1.00 0.00 O ATOM 356 CB TYR A 24 15.463 -28.323 20.555 1.00 0.00 C ATOM 357 CG TYR A 24 16.090 -29.675 20.295 1.00 0.00 C ATOM 358 CD1 TYR A 24 15.476 -30.573 19.411 1.00 0.00 C ATOM 359 CD2 TYR A 24 17.283 -30.031 20.934 1.00 0.00 C ATOM 360 CE1 TYR A 24 16.058 -31.822 19.165 1.00 0.00 C ATOM 361 CE2 TYR A 24 17.865 -31.280 20.688 1.00 0.00 C ATOM 362 CZ TYR A 24 17.252 -32.177 19.805 1.00 0.00 C ATOM 363 OH TYR A 24 17.825 -33.409 19.564 1.00 0.00 O ATOM 0 H TYR A 24 17.609 -27.470 19.678 1.00 0.00 H new ATOM 0 HA TYR A 24 15.137 -28.042 18.450 1.00 0.00 H new ATOM 0 HB2 TYR A 24 15.978 -27.822 21.375 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.423 -28.444 20.858 1.00 0.00 H new ATOM 0 HD1 TYR A 24 14.554 -30.301 18.920 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.755 -29.341 21.618 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.586 -32.512 18.481 1.00 0.00 H new ATOM 0 HE2 TYR A 24 18.787 -31.552 21.180 1.00 0.00 H new ATOM 0 HH TYR A 24 18.649 -33.494 20.087 1.00 0.00 H new ATOM 373 N LYS A 25 15.375 -25.166 20.001 1.00 0.00 N ATOM 374 CA LYS A 25 14.701 -23.892 20.227 1.00 0.00 C ATOM 375 C LYS A 25 14.049 -23.404 18.934 1.00 0.00 C ATOM 376 O LYS A 25 13.310 -22.420 18.925 1.00 0.00 O ATOM 377 CB LYS A 25 15.716 -22.855 20.723 1.00 0.00 C ATOM 378 CG LYS A 25 14.996 -21.552 21.075 1.00 0.00 C ATOM 379 CD LYS A 25 15.953 -20.598 21.795 1.00 0.00 C ATOM 380 CE LYS A 25 17.061 -20.144 20.838 1.00 0.00 C ATOM 381 NZ LYS A 25 17.750 -18.953 21.410 1.00 0.00 N ATOM 0 H LYS A 25 16.357 -25.182 20.277 1.00 0.00 H new ATOM 0 HA LYS A 25 13.925 -24.028 20.981 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.243 -23.238 21.597 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.466 -22.670 19.954 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.616 -21.082 20.168 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.135 -21.763 21.710 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.405 -19.732 22.167 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.390 -21.094 22.661 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.776 -20.952 20.682 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.638 -19.900 19.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.502 -18.643 20.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.063 -18.182 21.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.166 -19.201 22.330 1.00 0.00 H new ATOM 395 N ARG A 26 14.313 -24.109 17.844 1.00 0.00 N ATOM 396 CA ARG A 26 13.749 -23.743 16.560 1.00 0.00 C ATOM 397 C ARG A 26 12.233 -23.728 16.645 1.00 0.00 C ATOM 398 O ARG A 26 11.582 -22.854 16.080 1.00 0.00 O ATOM 399 CB ARG A 26 14.202 -24.732 15.489 1.00 0.00 C ATOM 400 CG ARG A 26 13.687 -24.280 14.117 1.00 0.00 C ATOM 401 CD ARG A 26 14.112 -25.286 13.048 1.00 0.00 C ATOM 402 NE ARG A 26 13.791 -24.772 11.723 1.00 0.00 N ATOM 403 CZ ARG A 26 14.051 -25.480 10.629 1.00 0.00 C ATOM 404 NH1 ARG A 26 14.603 -26.659 10.733 1.00 0.00 N ATOM 405 NH2 ARG A 26 13.756 -24.998 9.453 1.00 0.00 N ATOM 0 H ARG A 26 14.912 -24.934 17.826 1.00 0.00 H new ATOM 0 HA ARG A 26 14.099 -22.746 16.291 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.290 -24.796 15.477 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.826 -25.729 15.719 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.601 -24.193 14.137 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.081 -23.292 13.878 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.182 -25.478 13.123 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.605 -26.237 13.210 1.00 0.00 H new ATOM 0 HE ARG A 26 13.359 -23.852 11.634 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.834 -27.035 11.653 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.803 -27.204 9.894 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.325 -24.077 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.956 -25.542 8.614 1.00 0.00 H new ATOM 419 N ILE A 27 11.675 -24.703 17.348 1.00 0.00 N ATOM 420 CA ILE A 27 10.230 -24.787 17.488 1.00 0.00 C ATOM 421 C ILE A 27 9.645 -23.435 17.891 1.00 0.00 C ATOM 422 O ILE A 27 8.857 -22.839 17.154 1.00 0.00 O ATOM 423 CB ILE A 27 9.871 -25.844 18.545 1.00 0.00 C ATOM 424 CG1 ILE A 27 8.348 -25.846 18.775 1.00 0.00 C ATOM 425 CG2 ILE A 27 10.595 -25.550 19.877 1.00 0.00 C ATOM 426 CD1 ILE A 27 7.945 -27.070 19.610 1.00 0.00 C ATOM 0 H ILE A 27 12.195 -25.439 17.825 1.00 0.00 H new ATOM 0 HA ILE A 27 9.806 -25.074 16.526 1.00 0.00 H new ATOM 0 HB ILE A 27 10.190 -26.821 18.183 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.048 -24.932 19.287 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.827 -25.861 17.818 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.328 -26.309 20.612 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.673 -25.564 19.716 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.296 -24.568 20.245 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.867 -27.064 19.768 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.229 -27.980 19.082 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.453 -27.036 20.574 1.00 0.00 H new ATOM 438 N LEU A 28 10.043 -22.962 19.061 1.00 0.00 N ATOM 439 CA LEU A 28 9.570 -21.680 19.570 1.00 0.00 C ATOM 440 C LEU A 28 10.023 -20.540 18.665 1.00 0.00 C ATOM 441 O LEU A 28 9.264 -19.611 18.388 1.00 0.00 O ATOM 442 CB LEU A 28 10.108 -21.464 20.994 1.00 0.00 C ATOM 443 CG LEU A 28 9.248 -22.243 22.015 1.00 0.00 C ATOM 444 CD1 LEU A 28 10.089 -22.589 23.251 1.00 0.00 C ATOM 445 CD2 LEU A 28 8.041 -21.391 22.446 1.00 0.00 C ATOM 0 H LEU A 28 10.694 -23.446 19.679 1.00 0.00 H new ATOM 0 HA LEU A 28 8.480 -21.690 19.589 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.145 -21.796 21.053 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.099 -20.401 21.236 1.00 0.00 H new ATOM 0 HG LEU A 28 8.895 -23.161 21.546 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.476 -23.138 23.966 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.938 -23.204 22.953 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.451 -21.671 23.713 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.441 -21.948 23.165 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.393 -20.467 22.905 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.433 -21.153 21.573 1.00 0.00 H new ATOM 457 N ALA A 29 11.268 -20.614 18.217 1.00 0.00 N ATOM 458 CA ALA A 29 11.821 -19.581 17.353 1.00 0.00 C ATOM 459 C ALA A 29 11.056 -19.516 16.036 1.00 0.00 C ATOM 460 O ALA A 29 10.920 -18.449 15.437 1.00 0.00 O ATOM 461 CB ALA A 29 13.302 -19.862 17.079 1.00 0.00 C ATOM 0 H ALA A 29 11.912 -21.374 18.436 1.00 0.00 H new ATOM 0 HA ALA A 29 11.725 -18.621 17.860 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.706 -19.084 16.432 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.851 -19.872 18.021 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.404 -20.830 16.589 1.00 0.00 H new ATOM 467 N LYS A 30 10.570 -20.664 15.584 1.00 0.00 N ATOM 468 CA LYS A 30 9.836 -20.724 14.327 1.00 0.00 C ATOM 469 C LYS A 30 8.584 -19.861 14.412 1.00 0.00 C ATOM 470 O LYS A 30 8.183 -19.240 13.430 1.00 0.00 O ATOM 471 CB LYS A 30 9.442 -22.172 14.008 1.00 0.00 C ATOM 472 CG LYS A 30 8.913 -22.273 12.565 1.00 0.00 C ATOM 473 CD LYS A 30 10.084 -22.477 11.594 1.00 0.00 C ATOM 474 CE LYS A 30 9.552 -22.611 10.170 1.00 0.00 C ATOM 475 NZ LYS A 30 10.693 -22.799 9.235 1.00 0.00 N ATOM 0 H LYS A 30 10.669 -21.559 16.064 1.00 0.00 H new ATOM 0 HA LYS A 30 10.480 -20.348 13.532 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.304 -22.827 14.134 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.678 -22.512 14.708 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.212 -23.103 12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.366 -21.367 12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.773 -21.635 11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.646 -23.370 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.869 -23.458 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.985 -21.721 9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.334 -22.891 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.329 -21.978 9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.216 -23.660 9.494 1.00 0.00 H new ATOM 489 N LEU A 31 7.975 -19.826 15.591 1.00 0.00 N ATOM 490 CA LEU A 31 6.768 -19.036 15.792 1.00 0.00 C ATOM 491 C LEU A 31 6.982 -17.619 15.277 1.00 0.00 C ATOM 492 O LEU A 31 6.030 -16.918 14.938 1.00 0.00 O ATOM 493 CB LEU A 31 6.404 -19.001 17.277 1.00 0.00 C ATOM 494 CG LEU A 31 6.366 -20.431 17.831 1.00 0.00 C ATOM 495 CD1 LEU A 31 5.945 -20.404 19.305 1.00 0.00 C ATOM 496 CD2 LEU A 31 5.376 -21.288 17.023 1.00 0.00 C ATOM 0 H LEU A 31 8.295 -20.332 16.417 1.00 0.00 H new ATOM 0 HA LEU A 31 5.950 -19.496 15.238 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.134 -18.406 17.827 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.435 -18.522 17.413 1.00 0.00 H new ATOM 0 HG LEU A 31 7.361 -20.868 17.747 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.919 -21.422 19.695 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.661 -19.814 19.877 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.955 -19.957 19.392 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.358 -22.301 17.426 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.379 -20.853 17.091 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.689 -21.318 15.979 1.00 0.00 H new ATOM 508 N GLN A 32 8.240 -17.203 15.216 1.00 0.00 N ATOM 509 CA GLN A 32 8.564 -15.870 14.733 1.00 0.00 C ATOM 510 C GLN A 32 8.176 -15.733 13.263 1.00 0.00 C ATOM 511 O GLN A 32 7.654 -14.700 12.843 1.00 0.00 O ATOM 512 CB GLN A 32 10.060 -15.610 14.896 1.00 0.00 C ATOM 513 CG GLN A 32 10.419 -15.661 16.380 1.00 0.00 C ATOM 514 CD GLN A 32 9.779 -14.491 17.118 1.00 0.00 C ATOM 515 OE1 GLN A 32 9.874 -13.348 16.672 1.00 0.00 O ATOM 516 NE2 GLN A 32 9.132 -14.710 18.228 1.00 0.00 N ATOM 0 H GLN A 32 9.045 -17.764 15.493 1.00 0.00 H new ATOM 0 HA GLN A 32 8.004 -15.139 15.317 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.633 -16.356 14.345 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.320 -14.637 14.480 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.079 -16.602 16.812 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.502 -15.628 16.501 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.055 -15.659 18.595 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.702 -13.933 18.730 1.00 0.00 H new ATOM 525 N ARG A 33 8.430 -16.786 12.490 1.00 0.00 N ATOM 526 CA ARG A 33 8.099 -16.780 11.068 1.00 0.00 C ATOM 527 C ARG A 33 6.592 -16.679 10.871 1.00 0.00 C ATOM 528 O ARG A 33 6.119 -15.954 10.000 1.00 0.00 O ATOM 529 CB ARG A 33 8.631 -18.067 10.399 1.00 0.00 C ATOM 530 CG ARG A 33 10.052 -17.845 9.850 1.00 0.00 C ATOM 531 CD ARG A 33 9.972 -17.236 8.446 1.00 0.00 C ATOM 532 NE ARG A 33 11.312 -16.956 7.946 1.00 0.00 N ATOM 533 CZ ARG A 33 12.061 -17.918 7.424 1.00 0.00 C ATOM 534 NH1 ARG A 33 11.602 -19.138 7.365 1.00 0.00 N ATOM 535 NH2 ARG A 33 13.255 -17.644 6.977 1.00 0.00 N ATOM 0 H ARG A 33 8.861 -17.649 12.822 1.00 0.00 H new ATOM 0 HA ARG A 33 8.570 -15.913 10.605 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.638 -18.883 11.122 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.965 -18.364 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.610 -17.183 10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.592 -18.791 9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.460 -17.922 7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.386 -16.318 8.472 1.00 0.00 H new ATOM 0 HE ARG A 33 11.679 -16.006 7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.669 -19.350 7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.176 -19.880 6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.613 -16.690 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.831 -18.384 6.575 1.00 0.00 H new ATOM 549 N ILE A 34 5.846 -17.413 11.683 1.00 0.00 N ATOM 550 CA ILE A 34 4.393 -17.406 11.575 1.00 0.00 C ATOM 551 C ILE A 34 3.886 -15.969 11.525 1.00 0.00 C ATOM 552 O ILE A 34 2.923 -15.667 10.822 1.00 0.00 O ATOM 553 CB ILE A 34 3.777 -18.155 12.771 1.00 0.00 C ATOM 554 CG1 ILE A 34 3.837 -19.666 12.511 1.00 0.00 C ATOM 555 CG2 ILE A 34 2.312 -17.735 12.971 1.00 0.00 C ATOM 556 CD1 ILE A 34 5.276 -20.087 12.203 1.00 0.00 C ATOM 0 H ILE A 34 6.217 -18.016 12.417 1.00 0.00 H new ATOM 0 HA ILE A 34 4.096 -17.913 10.657 1.00 0.00 H new ATOM 0 HB ILE A 34 4.343 -17.907 13.669 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.469 -20.208 13.382 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.187 -19.926 11.676 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.892 -18.274 13.820 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.264 -16.663 13.161 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.740 -17.970 12.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.310 -21.161 12.020 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.629 -19.557 11.318 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.916 -19.844 13.051 1.00 0.00 H new ATOM 568 N HIS A 35 4.529 -15.092 12.282 1.00 0.00 N ATOM 569 CA HIS A 35 4.116 -13.699 12.314 1.00 0.00 C ATOM 570 C HIS A 35 4.054 -13.130 10.900 1.00 0.00 C ATOM 571 O HIS A 35 2.982 -12.771 10.413 1.00 0.00 O ATOM 572 CB HIS A 35 5.110 -12.893 13.151 1.00 0.00 C ATOM 573 CG HIS A 35 4.664 -11.461 13.221 1.00 0.00 C ATOM 574 ND1 HIS A 35 4.931 -10.554 12.210 1.00 0.00 N ATOM 575 CD2 HIS A 35 3.967 -10.764 14.177 1.00 0.00 C ATOM 576 CE1 HIS A 35 4.403 -9.372 12.575 1.00 0.00 C ATOM 577 NE2 HIS A 35 3.804 -9.444 13.766 1.00 0.00 N ATOM 0 H HIS A 35 5.328 -15.317 12.875 1.00 0.00 H new ATOM 0 HA HIS A 35 3.124 -13.634 12.760 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.180 -13.312 14.155 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.105 -12.953 12.710 1.00 0.00 H new ATOM 0 HD1 HIS A 35 5.436 -10.747 11.345 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.601 -11.177 15.106 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.457 -8.474 11.977 1.00 0.00 H new ATOM 585 N ASN A 36 5.206 -13.067 10.240 1.00 0.00 N ATOM 586 CA ASN A 36 5.267 -12.557 8.875 1.00 0.00 C ATOM 587 C ASN A 36 4.573 -13.511 7.905 1.00 0.00 C ATOM 588 O ASN A 36 3.871 -13.080 6.989 1.00 0.00 O ATOM 589 CB ASN A 36 6.723 -12.356 8.455 1.00 0.00 C ATOM 590 CG ASN A 36 7.317 -11.169 9.205 1.00 0.00 C ATOM 591 OD1 ASN A 36 6.581 -10.319 9.706 1.00 0.00 O ATOM 592 ND2 ASN A 36 8.613 -11.060 9.314 1.00 0.00 N ATOM 0 H ASN A 36 6.104 -13.360 10.625 1.00 0.00 H new ATOM 0 HA ASN A 36 4.748 -11.599 8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.300 -13.257 8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.781 -12.185 7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.018 -10.269 9.815 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.221 -11.766 8.898 1.00 0.00 H new ATOM 599 N SER A 37 4.779 -14.808 8.116 1.00 0.00 N ATOM 600 CA SER A 37 4.182 -15.828 7.265 1.00 0.00 C ATOM 601 C SER A 37 2.751 -16.110 7.699 1.00 0.00 C ATOM 602 O SER A 37 2.176 -17.138 7.339 1.00 0.00 O ATOM 603 CB SER A 37 5.006 -17.117 7.339 1.00 0.00 C ATOM 604 OG SER A 37 6.191 -16.961 6.568 1.00 0.00 O ATOM 0 H SER A 37 5.357 -15.176 8.872 1.00 0.00 H new ATOM 0 HA SER A 37 4.174 -15.463 6.238 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.259 -17.342 8.375 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.422 -17.958 6.964 1.00 0.00 H new ATOM 0 HG SER A 37 6.956 -17.316 7.068 1.00 0.00 H new ATOM 610 N ASN A 38 2.181 -15.202 8.481 1.00 0.00 N ATOM 611 CA ASN A 38 0.820 -15.384 8.962 1.00 0.00 C ATOM 612 C ASN A 38 -0.095 -15.825 7.825 1.00 0.00 C ATOM 613 O ASN A 38 -0.278 -15.106 6.842 1.00 0.00 O ATOM 614 CB ASN A 38 0.302 -14.072 9.554 1.00 0.00 C ATOM 615 CG ASN A 38 0.434 -12.946 8.529 1.00 0.00 C ATOM 616 OD1 ASN A 38 0.899 -13.171 7.411 1.00 0.00 O ATOM 617 ND2 ASN A 38 0.056 -11.738 8.846 1.00 0.00 N ATOM 0 H ASN A 38 2.634 -14.343 8.792 1.00 0.00 H new ATOM 0 HA ASN A 38 0.824 -16.157 9.730 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.741 -14.184 9.850 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.864 -13.823 10.454 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.146 -10.981 8.168 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.329 -11.551 9.772 1.00 0.00 H new ATOM 624 N ILE A 39 -0.677 -17.009 7.976 1.00 0.00 N ATOM 625 CA ILE A 39 -1.586 -17.553 6.971 1.00 0.00 C ATOM 626 C ILE A 39 -1.100 -17.225 5.563 1.00 0.00 C ATOM 627 O ILE A 39 -1.581 -16.278 4.941 1.00 0.00 O ATOM 628 CB ILE A 39 -2.986 -16.968 7.166 1.00 0.00 C ATOM 629 CG1 ILE A 39 -3.319 -16.933 8.653 1.00 0.00 C ATOM 630 CG2 ILE A 39 -4.007 -17.840 6.434 1.00 0.00 C ATOM 631 CD1 ILE A 39 -4.726 -16.372 8.847 1.00 0.00 C ATOM 0 H ILE A 39 -0.536 -17.613 8.786 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.615 -18.636 7.091 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.018 -15.955 6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.255 -17.936 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.594 -16.317 9.184 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.005 -17.425 6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.768 -17.865 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.976 -18.852 6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.964 -16.347 9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.774 -15.362 8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.445 -17.006 8.329 1.00 0.00 H new ATOM 643 N LEU A 40 -0.146 -18.009 5.062 1.00 0.00 N ATOM 644 CA LEU A 40 0.395 -17.785 3.717 1.00 0.00 C ATOM 645 C LEU A 40 0.195 -19.032 2.861 1.00 0.00 C ATOM 646 O LEU A 40 0.582 -20.128 3.246 1.00 0.00 O ATOM 647 CB LEU A 40 1.898 -17.424 3.811 1.00 0.00 C ATOM 648 CG LEU A 40 2.237 -16.279 2.849 1.00 0.00 C ATOM 649 CD1 LEU A 40 3.695 -15.858 3.040 1.00 0.00 C ATOM 650 CD2 LEU A 40 2.027 -16.749 1.410 1.00 0.00 C ATOM 0 H LEU A 40 0.267 -18.798 5.560 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.135 -16.956 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.145 -17.134 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.504 -18.298 3.573 1.00 0.00 H new ATOM 0 HG LEU A 40 1.588 -15.428 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.932 -15.044 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.846 -15.523 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.348 -16.706 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.267 -15.937 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.677 -17.600 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.987 -17.045 1.272 1.00 0.00 H new ATOM 662 N ASP A 41 -0.409 -18.858 1.698 1.00 0.00 N ATOM 663 CA ASP A 41 -0.651 -19.982 0.809 1.00 0.00 C ATOM 664 C ASP A 41 0.568 -20.900 0.731 1.00 0.00 C ATOM 665 O ASP A 41 0.433 -22.112 0.569 1.00 0.00 O ATOM 666 CB ASP A 41 -1.009 -19.466 -0.585 1.00 0.00 C ATOM 667 CG ASP A 41 0.038 -18.461 -1.062 1.00 0.00 C ATOM 668 OD1 ASP A 41 1.118 -18.442 -0.500 1.00 0.00 O ATOM 669 OD2 ASP A 41 -0.262 -17.720 -1.981 1.00 0.00 O ATOM 0 H ASP A 41 -0.738 -17.958 1.349 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.482 -20.563 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.069 -20.300 -1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.992 -18.996 -0.565 1.00 0.00 H new ATOM 674 N GLU A 42 1.756 -20.317 0.843 1.00 0.00 N ATOM 675 CA GLU A 42 2.990 -21.094 0.780 1.00 0.00 C ATOM 676 C GLU A 42 3.361 -21.667 2.150 1.00 0.00 C ATOM 677 O GLU A 42 3.515 -22.879 2.307 1.00 0.00 O ATOM 678 CB GLU A 42 4.121 -20.201 0.273 1.00 0.00 C ATOM 679 CG GLU A 42 5.401 -21.028 0.127 1.00 0.00 C ATOM 680 CD GLU A 42 6.515 -20.175 -0.469 1.00 0.00 C ATOM 681 OE1 GLU A 42 6.209 -19.117 -0.992 1.00 0.00 O ATOM 682 OE2 GLU A 42 7.657 -20.594 -0.392 1.00 0.00 O ATOM 0 H GLU A 42 1.892 -19.315 0.977 1.00 0.00 H new ATOM 0 HA GLU A 42 2.835 -21.930 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.849 -19.761 -0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.286 -19.376 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.708 -21.411 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.214 -21.892 -0.511 1.00 0.00 H new ATOM 689 N ARG A 43 3.514 -20.783 3.132 1.00 0.00 N ATOM 690 CA ARG A 43 3.884 -21.192 4.491 1.00 0.00 C ATOM 691 C ARG A 43 2.759 -21.987 5.140 1.00 0.00 C ATOM 692 O ARG A 43 2.972 -22.697 6.121 1.00 0.00 O ATOM 693 CB ARG A 43 4.217 -19.950 5.334 1.00 0.00 C ATOM 694 CG ARG A 43 5.355 -19.143 4.657 1.00 0.00 C ATOM 695 CD ARG A 43 6.710 -19.516 5.274 1.00 0.00 C ATOM 696 NE ARG A 43 7.004 -20.920 5.015 1.00 0.00 N ATOM 697 CZ ARG A 43 7.945 -21.563 5.698 1.00 0.00 C ATOM 698 NH1 ARG A 43 8.622 -20.934 6.618 1.00 0.00 N ATOM 699 NH2 ARG A 43 8.189 -22.819 5.448 1.00 0.00 N ATOM 0 H ARG A 43 3.388 -19.777 3.016 1.00 0.00 H new ATOM 0 HA ARG A 43 4.764 -21.833 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.331 -19.325 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.520 -20.251 6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.367 -19.346 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.174 -18.075 4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.496 -18.888 4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.693 -19.331 6.348 1.00 0.00 H new ATOM 0 HE ARG A 43 6.478 -21.418 4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.428 -19.951 6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.345 -21.425 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.657 -23.308 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.911 -23.312 5.972 1.00 0.00 H new ATOM 713 N GLN A 44 1.562 -21.860 4.586 1.00 0.00 N ATOM 714 CA GLN A 44 0.402 -22.569 5.117 1.00 0.00 C ATOM 715 C GLN A 44 0.767 -24.024 5.402 1.00 0.00 C ATOM 716 O GLN A 44 0.263 -24.626 6.349 1.00 0.00 O ATOM 717 CB GLN A 44 -0.767 -22.495 4.102 1.00 0.00 C ATOM 718 CG GLN A 44 -1.754 -21.387 4.499 1.00 0.00 C ATOM 719 CD GLN A 44 -2.787 -21.191 3.394 1.00 0.00 C ATOM 720 OE1 GLN A 44 -3.471 -20.168 3.356 1.00 0.00 O ATOM 721 NE2 GLN A 44 -2.944 -22.118 2.488 1.00 0.00 N ATOM 0 H GLN A 44 1.367 -21.276 3.773 1.00 0.00 H new ATOM 0 HA GLN A 44 0.089 -22.099 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.377 -22.302 3.103 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.284 -23.454 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.252 -21.649 5.432 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.216 -20.455 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.376 -22.965 2.521 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.634 -21.995 1.747 1.00 0.00 H new ATOM 730 N GLY A 45 1.649 -24.577 4.585 1.00 0.00 N ATOM 731 CA GLY A 45 2.073 -25.951 4.770 1.00 0.00 C ATOM 732 C GLY A 45 2.824 -26.095 6.078 1.00 0.00 C ATOM 733 O GLY A 45 2.762 -27.136 6.733 1.00 0.00 O ATOM 0 H GLY A 45 2.081 -24.099 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.205 -26.611 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.710 -26.257 3.941 1.00 0.00 H new ATOM 737 N LEU A 46 3.550 -25.051 6.445 1.00 0.00 N ATOM 738 CA LEU A 46 4.327 -25.088 7.670 1.00 0.00 C ATOM 739 C LEU A 46 3.401 -25.241 8.876 1.00 0.00 C ATOM 740 O LEU A 46 3.665 -26.031 9.779 1.00 0.00 O ATOM 741 CB LEU A 46 5.163 -23.798 7.806 1.00 0.00 C ATOM 742 CG LEU A 46 6.458 -24.071 8.612 1.00 0.00 C ATOM 743 CD1 LEU A 46 6.113 -24.687 9.981 1.00 0.00 C ATOM 744 CD2 LEU A 46 7.390 -25.026 7.820 1.00 0.00 C ATOM 0 H LEU A 46 3.617 -24.179 5.919 1.00 0.00 H new ATOM 0 HA LEU A 46 5.001 -25.944 7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.417 -23.417 6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.574 -23.027 8.303 1.00 0.00 H new ATOM 0 HG LEU A 46 6.975 -23.125 8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.031 -24.874 10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.483 -23.997 10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.580 -25.626 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.297 -25.210 8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.876 -25.970 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.653 -24.569 6.866 1.00 0.00 H new ATOM 756 N MET A 47 2.315 -24.483 8.878 1.00 0.00 N ATOM 757 CA MET A 47 1.371 -24.532 9.982 1.00 0.00 C ATOM 758 C MET A 47 0.905 -25.965 10.221 1.00 0.00 C ATOM 759 O MET A 47 0.739 -26.390 11.365 1.00 0.00 O ATOM 760 CB MET A 47 0.168 -23.641 9.665 1.00 0.00 C ATOM 761 CG MET A 47 0.554 -22.169 9.840 1.00 0.00 C ATOM 762 SD MET A 47 -0.860 -21.122 9.415 1.00 0.00 S ATOM 763 CE MET A 47 -0.096 -19.533 9.823 1.00 0.00 C ATOM 0 H MET A 47 2.067 -23.832 8.133 1.00 0.00 H new ATOM 0 HA MET A 47 1.864 -24.172 10.885 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.170 -23.819 8.644 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.664 -23.889 10.324 1.00 0.00 H new ATOM 0 HG2 MET A 47 0.863 -21.982 10.869 1.00 0.00 H new ATOM 0 HG3 MET A 47 1.405 -21.926 9.203 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.872 -18.812 10.083 1.00 0.00 H new ATOM 0 HE2 MET A 47 0.579 -19.660 10.669 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.465 -19.168 8.963 1.00 0.00 H new ATOM 773 N HIS A 48 0.704 -26.704 9.141 1.00 0.00 N ATOM 774 CA HIS A 48 0.264 -28.087 9.253 1.00 0.00 C ATOM 775 C HIS A 48 1.331 -28.937 9.937 1.00 0.00 C ATOM 776 O HIS A 48 1.020 -29.777 10.782 1.00 0.00 O ATOM 777 CB HIS A 48 -0.030 -28.652 7.863 1.00 0.00 C ATOM 778 CG HIS A 48 -0.495 -30.075 7.993 1.00 0.00 C ATOM 779 ND1 HIS A 48 -1.713 -30.406 8.565 1.00 0.00 N ATOM 780 CD2 HIS A 48 0.084 -31.266 7.629 1.00 0.00 C ATOM 781 CE1 HIS A 48 -1.828 -31.746 8.529 1.00 0.00 C ATOM 782 NE2 HIS A 48 -0.760 -32.320 7.969 1.00 0.00 N ATOM 0 H HIS A 48 0.837 -26.374 8.185 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.644 -28.113 9.856 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.793 -28.052 7.368 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.865 -28.605 7.242 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.047 -31.369 7.152 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.680 -32.291 8.907 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.598 -33.316 7.822 1.00 0.00 H new ATOM 790 N GLU A 49 2.588 -28.717 9.567 1.00 0.00 N ATOM 791 CA GLU A 49 3.689 -29.472 10.154 1.00 0.00 C ATOM 792 C GLU A 49 4.045 -28.911 11.526 1.00 0.00 C ATOM 793 O GLU A 49 4.587 -29.615 12.378 1.00 0.00 O ATOM 794 CB GLU A 49 4.916 -29.404 9.237 1.00 0.00 C ATOM 795 CG GLU A 49 5.975 -30.400 9.717 1.00 0.00 C ATOM 796 CD GLU A 49 5.499 -31.826 9.462 1.00 0.00 C ATOM 797 OE1 GLU A 49 4.485 -31.983 8.801 1.00 0.00 O ATOM 798 OE2 GLU A 49 6.158 -32.742 9.926 1.00 0.00 O ATOM 0 H GLU A 49 2.869 -28.028 8.869 1.00 0.00 H new ATOM 0 HA GLU A 49 3.378 -30.511 10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.628 -29.631 8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.326 -28.394 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.916 -30.223 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.167 -30.256 10.780 1.00 0.00 H new ATOM 805 N LEU A 50 3.743 -27.635 11.732 1.00 0.00 N ATOM 806 CA LEU A 50 4.051 -26.992 13.001 1.00 0.00 C ATOM 807 C LEU A 50 3.281 -27.671 14.136 1.00 0.00 C ATOM 808 O LEU A 50 3.825 -27.914 15.212 1.00 0.00 O ATOM 809 CB LEU A 50 3.672 -25.498 12.931 1.00 0.00 C ATOM 810 CG LEU A 50 4.620 -24.661 13.799 1.00 0.00 C ATOM 811 CD1 LEU A 50 4.178 -23.194 13.774 1.00 0.00 C ATOM 812 CD2 LEU A 50 4.609 -25.182 15.236 1.00 0.00 C ATOM 0 H LEU A 50 3.290 -27.032 11.045 1.00 0.00 H new ATOM 0 HA LEU A 50 5.119 -27.084 13.196 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.716 -25.154 11.898 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.645 -25.361 13.269 1.00 0.00 H new ATOM 0 HG LEU A 50 5.632 -24.739 13.402 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.852 -22.600 14.391 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.203 -22.824 12.749 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.163 -23.113 14.164 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.285 -24.582 15.846 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.599 -25.114 15.640 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.936 -26.222 15.249 1.00 0.00 H new ATOM 824 N MET A 51 2.012 -27.971 13.885 1.00 0.00 N ATOM 825 CA MET A 51 1.181 -28.609 14.896 1.00 0.00 C ATOM 826 C MET A 51 1.803 -29.933 15.324 1.00 0.00 C ATOM 827 O MET A 51 1.853 -30.250 16.512 1.00 0.00 O ATOM 828 CB MET A 51 -0.223 -28.860 14.332 1.00 0.00 C ATOM 829 CG MET A 51 -1.136 -29.442 15.420 1.00 0.00 C ATOM 830 SD MET A 51 -2.688 -29.986 14.668 1.00 0.00 S ATOM 831 CE MET A 51 -3.563 -28.409 14.781 1.00 0.00 C ATOM 0 H MET A 51 1.541 -27.785 13.000 1.00 0.00 H new ATOM 0 HA MET A 51 1.111 -27.951 15.762 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.643 -27.928 13.955 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.166 -29.548 13.489 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.644 -30.280 15.914 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.333 -28.692 16.186 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.403 -28.409 14.087 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.932 -28.269 15.797 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.882 -27.596 14.527 1.00 0.00 H new ATOM 841 N GLU A 52 2.271 -30.700 14.350 1.00 0.00 N ATOM 842 CA GLU A 52 2.884 -31.987 14.643 1.00 0.00 C ATOM 843 C GLU A 52 4.188 -31.790 15.398 1.00 0.00 C ATOM 844 O GLU A 52 4.556 -32.605 16.243 1.00 0.00 O ATOM 845 CB GLU A 52 3.156 -32.749 13.343 1.00 0.00 C ATOM 846 CG GLU A 52 3.686 -34.149 13.668 1.00 0.00 C ATOM 847 CD GLU A 52 3.924 -34.927 12.378 1.00 0.00 C ATOM 848 OE1 GLU A 52 2.998 -35.026 11.590 1.00 0.00 O ATOM 849 OE2 GLU A 52 5.028 -35.414 12.199 1.00 0.00 O ATOM 0 H GLU A 52 2.239 -30.457 13.360 1.00 0.00 H new ATOM 0 HA GLU A 52 2.197 -32.564 15.262 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.241 -32.823 12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.881 -32.206 12.737 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.615 -34.073 14.234 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.972 -34.681 14.297 1.00 0.00 H new ATOM 856 N LEU A 53 4.895 -30.713 15.078 1.00 0.00 N ATOM 857 CA LEU A 53 6.168 -30.440 15.731 1.00 0.00 C ATOM 858 C LEU A 53 5.974 -30.244 17.231 1.00 0.00 C ATOM 859 O LEU A 53 6.664 -30.863 18.038 1.00 0.00 O ATOM 860 CB LEU A 53 6.799 -29.177 15.131 1.00 0.00 C ATOM 861 CG LEU A 53 8.177 -28.913 15.765 1.00 0.00 C ATOM 862 CD1 LEU A 53 9.141 -30.071 15.455 1.00 0.00 C ATOM 863 CD2 LEU A 53 8.742 -27.596 15.211 1.00 0.00 C ATOM 0 H LEU A 53 4.614 -30.024 14.381 1.00 0.00 H new ATOM 0 HA LEU A 53 6.827 -31.293 15.570 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.904 -29.292 14.052 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.145 -28.321 15.298 1.00 0.00 H new ATOM 0 HG LEU A 53 8.067 -28.838 16.847 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.111 -29.869 15.910 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.737 -30.999 15.859 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.260 -30.167 14.376 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.718 -27.403 15.656 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.845 -27.671 14.129 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.064 -26.778 15.455 1.00 0.00 H new ATOM 875 N ILE A 54 5.032 -29.379 17.598 1.00 0.00 N ATOM 876 CA ILE A 54 4.765 -29.115 19.007 1.00 0.00 C ATOM 877 C ILE A 54 4.057 -30.306 19.644 1.00 0.00 C ATOM 878 O ILE A 54 4.122 -30.511 20.855 1.00 0.00 O ATOM 879 CB ILE A 54 3.906 -27.848 19.163 1.00 0.00 C ATOM 880 CG1 ILE A 54 4.496 -26.718 18.289 1.00 0.00 C ATOM 881 CG2 ILE A 54 3.883 -27.418 20.640 1.00 0.00 C ATOM 882 CD1 ILE A 54 4.041 -25.341 18.794 1.00 0.00 C ATOM 0 H ILE A 54 4.447 -28.855 16.947 1.00 0.00 H new ATOM 0 HA ILE A 54 5.717 -28.958 19.514 1.00 0.00 H new ATOM 0 HB ILE A 54 2.886 -28.054 18.840 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.585 -26.773 18.302 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.182 -26.852 17.254 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.274 -26.520 20.748 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.459 -28.219 21.246 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.899 -27.209 20.974 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.469 -24.562 18.163 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.953 -25.281 18.757 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.377 -25.201 19.821 1.00 0.00 H new ATOM 894 N ASP A 55 3.379 -31.091 18.817 1.00 0.00 N ATOM 895 CA ASP A 55 2.651 -32.247 19.308 1.00 0.00 C ATOM 896 C ASP A 55 3.600 -33.229 19.970 1.00 0.00 C ATOM 897 O ASP A 55 3.257 -33.869 20.964 1.00 0.00 O ATOM 898 CB ASP A 55 1.915 -32.931 18.155 1.00 0.00 C ATOM 899 CG ASP A 55 1.096 -34.103 18.683 1.00 0.00 C ATOM 900 OD1 ASP A 55 1.222 -34.406 19.858 1.00 0.00 O ATOM 901 OD2 ASP A 55 0.356 -34.679 17.904 1.00 0.00 O ATOM 0 H ASP A 55 3.320 -30.947 17.809 1.00 0.00 H new ATOM 0 HA ASP A 55 1.924 -31.911 20.047 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.262 -32.216 17.654 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.632 -33.282 17.413 1.00 0.00 H new ATOM 906 N LEU A 56 4.791 -33.354 19.409 1.00 0.00 N ATOM 907 CA LEU A 56 5.778 -34.267 19.956 1.00 0.00 C ATOM 908 C LEU A 56 6.259 -33.809 21.332 1.00 0.00 C ATOM 909 O LEU A 56 6.419 -34.619 22.245 1.00 0.00 O ATOM 910 CB LEU A 56 6.969 -34.371 19.009 1.00 0.00 C ATOM 911 CG LEU A 56 6.537 -35.064 17.708 1.00 0.00 C ATOM 912 CD1 LEU A 56 7.667 -34.951 16.681 1.00 0.00 C ATOM 913 CD2 LEU A 56 6.201 -36.551 17.965 1.00 0.00 C ATOM 0 H LEU A 56 5.095 -32.840 18.583 1.00 0.00 H new ATOM 0 HA LEU A 56 5.306 -35.243 20.066 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.360 -33.377 18.791 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.774 -34.933 19.482 1.00 0.00 H new ATOM 0 HG LEU A 56 5.641 -34.576 17.325 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.367 -35.441 15.755 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.876 -33.899 16.484 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.564 -35.432 17.072 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.897 -37.022 17.030 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.081 -37.060 18.359 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.388 -36.621 18.687 1.00 0.00 H new ATOM 925 N TYR A 57 6.503 -32.508 21.464 1.00 0.00 N ATOM 926 CA TYR A 57 6.983 -31.953 22.728 1.00 0.00 C ATOM 927 C TYR A 57 5.859 -31.837 23.744 1.00 0.00 C ATOM 928 O TYR A 57 5.961 -32.368 24.849 1.00 0.00 O ATOM 929 CB TYR A 57 7.598 -30.573 22.488 1.00 0.00 C ATOM 930 CG TYR A 57 8.945 -30.731 21.830 1.00 0.00 C ATOM 931 CD1 TYR A 57 9.044 -30.775 20.436 1.00 0.00 C ATOM 932 CD2 TYR A 57 10.094 -30.835 22.619 1.00 0.00 C ATOM 933 CE1 TYR A 57 10.294 -30.923 19.829 1.00 0.00 C ATOM 934 CE2 TYR A 57 11.345 -30.985 22.013 1.00 0.00 C ATOM 935 CZ TYR A 57 11.445 -31.027 20.619 1.00 0.00 C ATOM 936 OH TYR A 57 12.680 -31.174 20.022 1.00 0.00 O ATOM 0 H TYR A 57 6.378 -31.823 20.719 1.00 0.00 H new ATOM 0 HA TYR A 57 7.737 -32.631 23.128 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.941 -29.975 21.857 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.703 -30.041 23.433 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.155 -30.695 19.829 1.00 0.00 H new ATOM 0 HD2 TYR A 57 10.016 -30.800 23.696 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.372 -30.957 18.752 1.00 0.00 H new ATOM 0 HE2 TYR A 57 12.234 -31.068 22.621 1.00 0.00 H new ATOM 0 HH TYR A 57 13.284 -30.472 20.343 1.00 0.00 H new ATOM 946 N GLU A 58 4.786 -31.150 23.361 1.00 0.00 N ATOM 947 CA GLU A 58 3.641 -30.964 24.250 1.00 0.00 C ATOM 948 C GLU A 58 3.333 -32.255 25.003 1.00 0.00 C ATOM 949 O GLU A 58 2.645 -32.247 26.016 1.00 0.00 O ATOM 950 CB GLU A 58 2.407 -30.500 23.443 1.00 0.00 C ATOM 951 CG GLU A 58 1.639 -31.709 22.883 1.00 0.00 C ATOM 952 CD GLU A 58 0.719 -32.300 23.947 1.00 0.00 C ATOM 953 OE1 GLU A 58 0.130 -31.532 24.687 1.00 0.00 O ATOM 954 OE2 GLU A 58 0.611 -33.515 23.998 1.00 0.00 O ATOM 0 H GLU A 58 4.685 -30.714 22.444 1.00 0.00 H new ATOM 0 HA GLU A 58 3.889 -30.193 24.979 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.750 -29.909 24.081 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.723 -29.853 22.625 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.053 -31.405 22.016 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.343 -32.468 22.541 1.00 0.00 H new ATOM 961 N GLU A 59 3.812 -33.369 24.486 1.00 0.00 N ATOM 962 CA GLU A 59 3.557 -34.646 25.127 1.00 0.00 C ATOM 963 C GLU A 59 4.405 -34.795 26.395 1.00 0.00 C ATOM 964 O GLU A 59 3.881 -35.077 27.473 1.00 0.00 O ATOM 965 CB GLU A 59 3.877 -35.775 24.154 1.00 0.00 C ATOM 966 CG GLU A 59 3.517 -37.116 24.792 1.00 0.00 C ATOM 967 CD GLU A 59 3.766 -38.246 23.801 1.00 0.00 C ATOM 968 OE1 GLU A 59 3.951 -37.948 22.631 1.00 0.00 O ATOM 969 OE2 GLU A 59 3.767 -39.386 24.225 1.00 0.00 O ATOM 0 H GLU A 59 4.373 -33.418 23.635 1.00 0.00 H new ATOM 0 HA GLU A 59 2.505 -34.693 25.410 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.319 -35.640 23.227 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.935 -35.756 23.894 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.112 -37.272 25.692 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.471 -37.113 25.099 1.00 0.00 H new ATOM 976 N SER A 60 5.718 -34.617 26.246 1.00 0.00 N ATOM 977 CA SER A 60 6.646 -34.741 27.373 1.00 0.00 C ATOM 978 C SER A 60 6.935 -33.390 28.032 1.00 0.00 C ATOM 979 O SER A 60 7.502 -33.334 29.123 1.00 0.00 O ATOM 980 CB SER A 60 7.959 -35.356 26.888 1.00 0.00 C ATOM 981 OG SER A 60 8.586 -34.468 25.975 1.00 0.00 O ATOM 0 H SER A 60 6.163 -34.387 25.358 1.00 0.00 H new ATOM 0 HA SER A 60 6.176 -35.383 28.118 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.618 -35.549 27.735 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.768 -36.315 26.407 1.00 0.00 H new ATOM 0 HG SER A 60 9.429 -34.860 25.664 1.00 0.00 H new ATOM 987 N GLN A 61 6.569 -32.307 27.353 1.00 0.00 N ATOM 988 CA GLN A 61 6.827 -30.957 27.876 1.00 0.00 C ATOM 989 C GLN A 61 6.042 -30.691 29.163 1.00 0.00 C ATOM 990 O GLN A 61 6.564 -30.087 30.100 1.00 0.00 O ATOM 991 CB GLN A 61 6.442 -29.898 26.811 1.00 0.00 C ATOM 992 CG GLN A 61 7.583 -28.906 26.596 1.00 0.00 C ATOM 993 CD GLN A 61 7.089 -27.753 25.741 1.00 0.00 C ATOM 994 OE1 GLN A 61 6.122 -27.900 24.991 1.00 0.00 O ATOM 995 NE2 GLN A 61 7.696 -26.606 25.812 1.00 0.00 N ATOM 0 H GLN A 61 6.098 -32.330 26.449 1.00 0.00 H new ATOM 0 HA GLN A 61 7.890 -30.887 28.105 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.202 -30.393 25.870 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.546 -29.365 27.129 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.943 -28.534 27.555 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.424 -29.401 26.110 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.496 -26.490 26.434 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.373 -25.822 25.245 1.00 0.00 H new ATOM 1004 N PRO A 62 4.818 -31.126 29.228 1.00 0.00 N ATOM 1005 CA PRO A 62 3.957 -30.935 30.414 1.00 0.00 C ATOM 1006 C PRO A 62 3.887 -32.178 31.287 1.00 0.00 C ATOM 1007 O PRO A 62 3.068 -33.072 31.082 1.00 0.00 O ATOM 1008 CB PRO A 62 2.587 -30.666 29.777 1.00 0.00 C ATOM 1009 CG PRO A 62 2.619 -31.362 28.432 1.00 0.00 C ATOM 1010 CD PRO A 62 4.078 -31.790 28.156 1.00 0.00 C ATOM 0 HA PRO A 62 4.321 -30.146 31.072 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.782 -31.055 30.400 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.412 -29.596 29.661 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.960 -32.230 28.436 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.262 -30.694 27.648 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.196 -32.873 28.194 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.415 -31.467 27.171 1.00 0.00 H new ATOM 1018 N SER A 63 4.776 -32.198 32.275 1.00 0.00 N ATOM 1019 CA SER A 63 4.857 -33.301 33.221 1.00 0.00 C ATOM 1020 C SER A 63 3.840 -33.101 34.341 1.00 0.00 C ATOM 1021 O SER A 63 3.644 -33.983 35.175 1.00 0.00 O ATOM 1022 CB SER A 63 6.264 -33.371 33.820 1.00 0.00 C ATOM 1023 OG SER A 63 6.506 -32.199 34.590 1.00 0.00 O ATOM 0 H SER A 63 5.455 -31.455 32.440 1.00 0.00 H new ATOM 0 HA SER A 63 4.640 -34.231 32.697 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.361 -34.258 34.446 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.006 -33.458 33.026 1.00 0.00 H new ATOM 0 HG SER A 63 7.406 -32.241 34.976 1.00 0.00 H new ATOM 1029 N SER A 64 3.203 -31.928 34.355 1.00 0.00 N ATOM 1030 CA SER A 64 2.205 -31.598 35.379 1.00 0.00 C ATOM 1031 C SER A 64 0.838 -31.370 34.750 1.00 0.00 C ATOM 1032 O SER A 64 0.025 -30.611 35.278 1.00 0.00 O ATOM 1033 CB SER A 64 2.624 -30.345 36.147 1.00 0.00 C ATOM 1034 OG SER A 64 2.515 -29.211 35.295 1.00 0.00 O ATOM 0 H SER A 64 3.360 -31.189 33.669 1.00 0.00 H new ATOM 0 HA SER A 64 2.142 -32.441 36.067 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.993 -30.215 37.026 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.649 -30.449 36.503 1.00 0.00 H new ATOM 0 HG SER A 64 2.782 -28.406 35.786 1.00 0.00 H new ATOM 1040 N GLU A 65 0.600 -32.017 33.613 1.00 0.00 N ATOM 1041 CA GLU A 65 -0.672 -31.879 32.906 1.00 0.00 C ATOM 1042 C GLU A 65 -0.910 -30.426 32.507 1.00 0.00 C ATOM 1043 O GLU A 65 -2.038 -29.937 32.548 1.00 0.00 O ATOM 1044 CB GLU A 65 -1.829 -32.375 33.779 1.00 0.00 C ATOM 1045 CG GLU A 65 -1.706 -33.885 33.981 1.00 0.00 C ATOM 1046 CD GLU A 65 -2.815 -34.372 34.906 1.00 0.00 C ATOM 1047 OE1 GLU A 65 -3.581 -33.541 35.367 1.00 0.00 O ATOM 1048 OE2 GLU A 65 -2.881 -35.566 35.141 1.00 0.00 O ATOM 0 H GLU A 65 1.269 -32.641 33.161 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.625 -32.488 32.003 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.815 -31.866 34.743 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.782 -32.137 33.307 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.770 -34.396 33.021 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.732 -34.126 34.407 1.00 0.00 H new ATOM 1055 N ARG A 66 0.169 -29.745 32.131 1.00 0.00 N ATOM 1056 CA ARG A 66 0.088 -28.342 31.730 1.00 0.00 C ATOM 1057 C ARG A 66 -0.308 -28.214 30.264 1.00 0.00 C ATOM 1058 O ARG A 66 -0.657 -27.128 29.802 1.00 0.00 O ATOM 1059 CB ARG A 66 1.428 -27.641 31.974 1.00 0.00 C ATOM 1060 CG ARG A 66 1.230 -26.125 31.897 1.00 0.00 C ATOM 1061 CD ARG A 66 2.541 -25.424 32.237 1.00 0.00 C ATOM 1062 NE ARG A 66 2.327 -23.987 32.331 1.00 0.00 N ATOM 1063 CZ ARG A 66 3.315 -23.168 32.669 1.00 0.00 C ATOM 1064 NH1 ARG A 66 4.493 -23.651 32.948 1.00 0.00 N ATOM 1065 NH2 ARG A 66 3.104 -21.881 32.727 1.00 0.00 N ATOM 0 H ARG A 66 1.109 -30.140 32.095 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.681 -27.862 32.336 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.823 -27.918 32.951 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.159 -27.962 31.232 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.902 -25.841 30.897 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.448 -25.814 32.590 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.932 -25.804 33.181 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.287 -25.640 31.472 1.00 0.00 H new ATOM 0 HE ARG A 66 1.403 -23.603 32.134 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.655 -24.657 32.906 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.253 -23.023 33.208 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.180 -21.505 32.513 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.863 -21.251 32.987 1.00 0.00 H new ATOM 1079 N LEU A 67 -0.246 -29.321 29.527 1.00 0.00 N ATOM 1080 CA LEU A 67 -0.594 -29.300 28.109 1.00 0.00 C ATOM 1081 C LEU A 67 -1.829 -28.436 27.863 1.00 0.00 C ATOM 1082 O LEU A 67 -2.074 -27.989 26.744 1.00 0.00 O ATOM 1083 CB LEU A 67 -0.875 -30.721 27.608 1.00 0.00 C ATOM 1084 CG LEU A 67 -1.845 -31.455 28.582 1.00 0.00 C ATOM 1085 CD1 LEU A 67 -3.041 -32.034 27.815 1.00 0.00 C ATOM 1086 CD2 LEU A 67 -1.107 -32.600 29.294 1.00 0.00 C ATOM 0 H LEU A 67 0.039 -30.233 29.883 1.00 0.00 H new ATOM 0 HA LEU A 67 0.252 -28.878 27.567 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.311 -30.683 26.610 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.059 -31.277 27.527 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.203 -30.733 29.316 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.708 -32.543 28.511 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.581 -31.227 27.320 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.685 -32.744 27.068 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.792 -33.108 29.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.737 -33.310 28.554 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.268 -32.196 29.860 1.00 0.00 H new ATOM 1098 N ASN A 68 -2.599 -28.197 28.919 1.00 0.00 N ATOM 1099 CA ASN A 68 -3.793 -27.378 28.804 1.00 0.00 C ATOM 1100 C ASN A 68 -3.446 -26.053 28.130 1.00 0.00 C ATOM 1101 O ASN A 68 -4.208 -25.547 27.306 1.00 0.00 O ATOM 1102 CB ASN A 68 -4.373 -27.112 30.194 1.00 0.00 C ATOM 1103 CG ASN A 68 -5.582 -26.189 30.088 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -5.435 -25.002 29.801 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -6.776 -26.668 30.303 1.00 0.00 N ATOM 0 H ASN A 68 -2.417 -28.557 29.856 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.532 -27.905 28.201 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.663 -28.053 30.662 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.615 -26.659 30.833 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.590 -26.058 30.233 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.895 -27.653 30.541 1.00 0.00 H new ATOM 1112 N ALA A 69 -2.288 -25.501 28.480 1.00 0.00 N ATOM 1113 CA ALA A 69 -1.843 -24.241 27.893 1.00 0.00 C ATOM 1114 C ALA A 69 -1.425 -24.444 26.439 1.00 0.00 C ATOM 1115 O ALA A 69 -1.676 -23.594 25.585 1.00 0.00 O ATOM 1116 CB ALA A 69 -0.667 -23.674 28.686 1.00 0.00 C ATOM 0 H ALA A 69 -1.645 -25.903 29.162 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.675 -23.537 27.928 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.345 -22.734 28.237 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.975 -23.498 29.717 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.159 -24.385 28.671 1.00 0.00 H new ATOM 1122 N PHE A 70 -0.781 -25.575 26.166 1.00 0.00 N ATOM 1123 CA PHE A 70 -0.331 -25.878 24.812 1.00 0.00 C ATOM 1124 C PHE A 70 -1.521 -25.853 23.856 1.00 0.00 C ATOM 1125 O PHE A 70 -1.363 -25.628 22.656 1.00 0.00 O ATOM 1126 CB PHE A 70 0.359 -27.262 24.785 1.00 0.00 C ATOM 1127 CG PHE A 70 0.172 -27.920 23.431 1.00 0.00 C ATOM 1128 CD1 PHE A 70 0.739 -27.338 22.296 1.00 0.00 C ATOM 1129 CD2 PHE A 70 -0.595 -29.087 23.312 1.00 0.00 C ATOM 1130 CE1 PHE A 70 0.540 -27.919 21.039 1.00 0.00 C ATOM 1131 CE2 PHE A 70 -0.790 -29.671 22.056 1.00 0.00 C ATOM 1132 CZ PHE A 70 -0.220 -29.087 20.920 1.00 0.00 C ATOM 0 H PHE A 70 -0.561 -26.291 26.858 1.00 0.00 H new ATOM 0 HA PHE A 70 0.390 -25.125 24.493 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.422 -27.150 24.998 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.057 -27.898 25.566 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.331 -26.439 22.388 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.036 -29.535 24.190 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.974 -27.465 20.160 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.380 -30.571 21.964 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.367 -29.538 19.950 1.00 0.00 H new ATOM 1142 N ARG A 71 -2.704 -26.107 24.389 1.00 0.00 N ATOM 1143 CA ARG A 71 -3.896 -26.130 23.562 1.00 0.00 C ATOM 1144 C ARG A 71 -4.092 -24.779 22.902 1.00 0.00 C ATOM 1145 O ARG A 71 -4.556 -24.695 21.769 1.00 0.00 O ATOM 1146 CB ARG A 71 -5.117 -26.470 24.413 1.00 0.00 C ATOM 1147 CG ARG A 71 -4.966 -27.872 25.028 1.00 0.00 C ATOM 1148 CD ARG A 71 -5.362 -28.944 24.009 1.00 0.00 C ATOM 1149 NE ARG A 71 -5.299 -30.269 24.618 1.00 0.00 N ATOM 1150 CZ ARG A 71 -5.023 -31.352 23.894 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -4.816 -31.244 22.609 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -4.965 -32.522 24.467 1.00 0.00 N ATOM 0 H ARG A 71 -2.863 -26.298 25.378 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.776 -26.892 22.791 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.235 -25.729 25.204 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.018 -26.429 23.801 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.936 -28.027 25.348 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.592 -27.956 25.917 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.370 -28.752 23.642 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.696 -28.900 23.147 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.470 -30.367 25.619 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.866 -30.330 22.159 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.605 -32.074 22.055 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.131 -32.608 25.470 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.754 -33.352 23.912 1.00 0.00 H new ATOM 1166 N GLU A 72 -3.725 -23.726 23.612 1.00 0.00 N ATOM 1167 CA GLU A 72 -3.857 -22.389 23.069 1.00 0.00 C ATOM 1168 C GLU A 72 -3.055 -22.283 21.782 1.00 0.00 C ATOM 1169 O GLU A 72 -3.549 -21.787 20.770 1.00 0.00 O ATOM 1170 CB GLU A 72 -3.340 -21.363 24.079 1.00 0.00 C ATOM 1171 CG GLU A 72 -4.266 -21.336 25.295 1.00 0.00 C ATOM 1172 CD GLU A 72 -3.713 -20.387 26.354 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -2.681 -19.787 26.103 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -4.331 -20.275 27.399 1.00 0.00 O ATOM 0 H GLU A 72 -3.338 -23.771 24.555 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.908 -22.189 22.862 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.326 -21.618 24.386 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.295 -20.375 23.620 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.264 -21.017 24.995 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.364 -22.339 25.710 1.00 0.00 H new ATOM 1181 N LEU A 73 -1.818 -22.760 21.823 1.00 0.00 N ATOM 1182 CA LEU A 73 -0.966 -22.714 20.648 1.00 0.00 C ATOM 1183 C LEU A 73 -1.558 -23.601 19.554 1.00 0.00 C ATOM 1184 O LEU A 73 -1.587 -23.231 18.383 1.00 0.00 O ATOM 1185 CB LEU A 73 0.456 -23.185 21.015 1.00 0.00 C ATOM 1186 CG LEU A 73 1.508 -22.483 20.128 1.00 0.00 C ATOM 1187 CD1 LEU A 73 1.167 -22.695 18.646 1.00 0.00 C ATOM 1188 CD2 LEU A 73 1.542 -20.967 20.450 1.00 0.00 C ATOM 0 H LEU A 73 -1.388 -23.178 22.648 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.908 -21.690 20.279 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.656 -22.970 22.065 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.530 -24.265 20.891 1.00 0.00 H new ATOM 0 HG LEU A 73 2.489 -22.912 20.332 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.913 -22.197 18.026 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.163 -23.762 18.423 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.183 -22.276 18.436 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.286 -20.478 19.821 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.561 -20.532 20.257 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.803 -20.824 21.499 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.040 -24.768 19.954 1.00 0.00 N ATOM 1201 CA ARG A 74 -2.633 -25.699 19.013 1.00 0.00 C ATOM 1202 C ARG A 74 -3.890 -25.108 18.407 1.00 0.00 C ATOM 1203 O ARG A 74 -4.159 -25.276 17.218 1.00 0.00 O ATOM 1204 CB ARG A 74 -2.949 -27.016 19.711 1.00 0.00 C ATOM 1205 CG ARG A 74 -3.507 -28.007 18.694 1.00 0.00 C ATOM 1206 CD ARG A 74 -3.658 -29.380 19.346 1.00 0.00 C ATOM 1207 NE ARG A 74 -4.049 -30.374 18.351 1.00 0.00 N ATOM 1208 CZ ARG A 74 -4.436 -31.592 18.715 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -4.476 -31.912 19.979 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -4.777 -32.470 17.808 1.00 0.00 N ATOM 0 H ARG A 74 -2.031 -25.090 20.922 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.920 -25.889 18.211 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.049 -27.421 20.173 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.672 -26.852 20.510 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.472 -27.660 18.325 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.842 -28.073 17.833 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.718 -29.674 19.813 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.406 -29.334 20.137 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.025 -30.130 17.361 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.210 -31.228 20.687 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.773 -32.847 20.259 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.746 -32.220 16.820 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.074 -33.405 18.089 1.00 0.00 H new ATOM 1224 N THR A 75 -4.656 -24.415 19.231 1.00 0.00 N ATOM 1225 CA THR A 75 -5.883 -23.796 18.771 1.00 0.00 C ATOM 1226 C THR A 75 -5.592 -22.805 17.653 1.00 0.00 C ATOM 1227 O THR A 75 -6.286 -22.781 16.638 1.00 0.00 O ATOM 1228 CB THR A 75 -6.560 -23.078 19.921 1.00 0.00 C ATOM 1229 OG1 THR A 75 -6.666 -23.951 21.038 1.00 0.00 O ATOM 1230 CG2 THR A 75 -7.945 -22.619 19.490 1.00 0.00 C ATOM 0 H THR A 75 -4.450 -24.268 20.219 1.00 0.00 H new ATOM 0 HA THR A 75 -6.543 -24.575 18.389 1.00 0.00 H new ATOM 0 HB THR A 75 -5.965 -22.209 20.204 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.838 -23.915 21.561 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.431 -22.103 20.318 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.856 -21.941 18.641 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.542 -23.484 19.202 1.00 0.00 H new ATOM 1238 N GLN A 76 -4.561 -21.989 17.842 1.00 0.00 N ATOM 1239 CA GLN A 76 -4.196 -21.002 16.834 1.00 0.00 C ATOM 1240 C GLN A 76 -3.819 -21.697 15.530 1.00 0.00 C ATOM 1241 O GLN A 76 -4.340 -21.365 14.463 1.00 0.00 O ATOM 1242 CB GLN A 76 -3.011 -20.172 17.329 1.00 0.00 C ATOM 1243 CG GLN A 76 -3.455 -19.309 18.509 1.00 0.00 C ATOM 1244 CD GLN A 76 -2.272 -18.512 19.050 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -1.172 -18.585 18.503 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -2.438 -17.748 20.094 1.00 0.00 N ATOM 0 H GLN A 76 -3.970 -21.991 18.673 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.050 -20.349 16.656 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.194 -20.828 17.631 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.633 -19.541 16.524 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.248 -18.630 18.195 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.869 -19.940 19.296 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.352 -17.691 20.544 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.654 -17.208 20.460 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.926 -22.675 15.627 1.00 0.00 N ATOM 1256 CA LEU A 77 -2.498 -23.425 14.452 1.00 0.00 C ATOM 1257 C LEU A 77 -3.674 -24.193 13.868 1.00 0.00 C ATOM 1258 O LEU A 77 -3.841 -24.268 12.649 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.358 -24.391 14.831 1.00 0.00 C ATOM 1260 CG LEU A 77 0.009 -23.673 14.738 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.367 -23.387 13.260 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.056 -22.347 15.520 1.00 0.00 C ATOM 0 H LEU A 77 -2.487 -22.966 16.500 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.129 -22.729 13.699 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.511 -24.766 15.843 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.368 -25.255 14.166 1.00 0.00 H new ATOM 0 HG LEU A 77 0.778 -24.316 15.167 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.331 -22.882 13.210 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.421 -24.327 12.710 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.399 -22.751 12.817 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.906 -21.839 15.456 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.831 -21.711 15.093 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.289 -22.552 16.565 1.00 0.00 H new ATOM 1274 N GLU A 78 -4.486 -24.759 14.742 1.00 0.00 N ATOM 1275 CA GLU A 78 -5.640 -25.516 14.298 1.00 0.00 C ATOM 1276 C GLU A 78 -6.604 -24.611 13.542 1.00 0.00 C ATOM 1277 O GLU A 78 -7.047 -24.942 12.442 1.00 0.00 O ATOM 1278 CB GLU A 78 -6.343 -26.133 15.507 1.00 0.00 C ATOM 1279 CG GLU A 78 -7.492 -27.035 15.043 1.00 0.00 C ATOM 1280 CD GLU A 78 -8.707 -26.196 14.655 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -8.884 -25.135 15.231 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -9.447 -26.629 13.787 1.00 0.00 O ATOM 0 H GLU A 78 -4.369 -24.710 15.754 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.309 -26.310 13.629 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.631 -26.711 16.096 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.727 -25.346 16.155 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.170 -27.635 14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.761 -27.729 15.839 1.00 0.00 H new ATOM 1289 N LYS A 79 -6.911 -23.458 14.129 1.00 0.00 N ATOM 1290 CA LYS A 79 -7.806 -22.508 13.490 1.00 0.00 C ATOM 1291 C LYS A 79 -7.168 -21.953 12.231 1.00 0.00 C ATOM 1292 O LYS A 79 -7.826 -21.809 11.200 1.00 0.00 O ATOM 1293 CB LYS A 79 -8.145 -21.366 14.453 1.00 0.00 C ATOM 1294 CG LYS A 79 -9.111 -21.869 15.530 1.00 0.00 C ATOM 1295 CD LYS A 79 -9.459 -20.721 16.478 1.00 0.00 C ATOM 1296 CE LYS A 79 -10.513 -21.188 17.485 1.00 0.00 C ATOM 1297 NZ LYS A 79 -10.850 -20.067 18.407 1.00 0.00 N ATOM 0 H LYS A 79 -6.555 -23.164 15.038 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.727 -23.025 13.221 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.235 -20.986 14.916 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.594 -20.537 13.906 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.017 -22.260 15.067 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.657 -22.689 16.086 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.564 -20.385 17.002 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.835 -19.869 15.911 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.408 -21.524 16.961 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.137 -22.039 18.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.566 -20.384 19.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.994 -19.767 18.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.225 -19.267 17.858 1.00 0.00 H new ATOM 1311 N ALA A 80 -5.882 -21.641 12.321 1.00 0.00 N ATOM 1312 CA ALA A 80 -5.168 -21.100 11.178 1.00 0.00 C ATOM 1313 C ALA A 80 -5.124 -22.123 10.054 1.00 0.00 C ATOM 1314 O ALA A 80 -5.303 -21.785 8.886 1.00 0.00 O ATOM 1315 CB ALA A 80 -3.744 -20.713 11.573 1.00 0.00 C ATOM 0 H ALA A 80 -5.319 -21.752 13.164 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.695 -20.210 10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.223 -20.309 10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.777 -19.959 12.360 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.215 -21.594 11.937 1.00 0.00 H new ATOM 1321 N LEU A 81 -4.897 -23.380 10.420 1.00 0.00 N ATOM 1322 CA LEU A 81 -4.847 -24.453 9.436 1.00 0.00 C ATOM 1323 C LEU A 81 -6.215 -24.647 8.799 1.00 0.00 C ATOM 1324 O LEU A 81 -6.322 -24.915 7.602 1.00 0.00 O ATOM 1325 CB LEU A 81 -4.388 -25.762 10.093 1.00 0.00 C ATOM 1326 CG LEU A 81 -4.445 -26.917 9.075 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -3.591 -26.579 7.841 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -3.920 -28.197 9.735 1.00 0.00 C ATOM 0 H LEU A 81 -4.746 -23.679 11.384 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.130 -24.178 8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.372 -25.651 10.471 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.023 -25.990 10.949 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.477 -27.065 8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.639 -27.403 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.972 -25.671 7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.556 -26.423 8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.958 -29.018 9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.890 -28.044 10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.538 -28.441 10.599 1.00 0.00 H new ATOM 1340 N GLY A 82 -7.256 -24.534 9.615 1.00 0.00 N ATOM 1341 CA GLY A 82 -8.615 -24.722 9.130 1.00 0.00 C ATOM 1342 C GLY A 82 -8.968 -23.658 8.103 1.00 0.00 C ATOM 1343 O GLY A 82 -9.773 -23.895 7.203 1.00 0.00 O ATOM 0 H GLY A 82 -7.185 -24.315 10.609 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.714 -25.712 8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.315 -24.676 9.965 1.00 0.00 H new ATOM 1347 N LEU A 83 -8.349 -22.490 8.242 1.00 0.00 N ATOM 1348 CA LEU A 83 -8.586 -21.391 7.314 1.00 0.00 C ATOM 1349 C LEU A 83 -10.068 -21.055 7.246 1.00 0.00 C ATOM 1350 O LEU A 83 -10.487 -20.212 6.454 1.00 0.00 O ATOM 1351 CB LEU A 83 -8.081 -21.779 5.918 1.00 0.00 C ATOM 1352 CG LEU A 83 -6.547 -21.914 5.930 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -6.094 -22.766 4.739 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -5.883 -20.532 5.827 1.00 0.00 C ATOM 0 H LEU A 83 -7.682 -22.281 8.985 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.047 -20.513 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.534 -22.720 5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.382 -21.025 5.191 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.252 -22.388 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.008 -22.859 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.544 -23.756 4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.407 -22.289 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.799 -20.647 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.188 -20.050 4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.190 -19.917 6.673 1.00 0.00 H new