USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 564 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 75 TYR OH : rot 55:sc= -1.4 USER MOD Set 1.2: A 78 SER OG : rot -73:sc= 2.01 USER MOD Set 1.3: A 79 HIS : no HE2:sc= -0.236 K(o=0.37,f=-7.5!) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -117:sc= 0.252 (180deg=0) USER MOD Set 2.2: A 28 ASN : amide:sc= 0.199 K(o=0.45,f=-1) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -2.11 K(o=-2.1,f=-0.31) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.72 K(o=-1.7,f=-9.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 140:sc= -3.4! USER MOD Single : A 40 SER OG : rot 180:sc= 0.0418 USER MOD Single : A 43 THR OG1 : rot -33:sc= 1.19 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.702 USER MOD Single : A 65 LYS NZ :NH3+ -118:sc= -0.585 (180deg=-3.81!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 70 GLN : amide:sc= -2.06 K(o=-2.1,f=-2.6!) USER MOD Single : A 77 ASN : amide:sc= -0.431 K(o=-0.43,f=-1.5) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 60 N SER A 5 8.648 6.298 -6.728 1.00 4.12 N ATOM 61 CA SER A 5 9.868 7.097 -6.739 1.00 51.54 C ATOM 62 C SER A 5 10.889 6.546 -5.749 1.00 34.41 C ATOM 63 O SER A 5 12.089 6.778 -5.884 1.00 0.23 O ATOM 64 CB SER A 5 9.550 8.556 -6.403 1.00 23.33 C ATOM 65 OG SER A 5 10.736 9.295 -6.169 1.00 44.12 O ATOM 0 HA SER A 5 10.296 7.047 -7.740 1.00 51.54 H new ATOM 0 HB2 SER A 5 8.992 9.008 -7.223 1.00 23.33 H new ATOM 0 HB3 SER A 5 8.911 8.599 -5.521 1.00 23.33 H new ATOM 0 HG SER A 5 10.506 10.224 -5.958 1.00 44.12 H new ATOM 71 N ASN A 6 10.401 5.813 -4.753 1.00 30.20 N ATOM 72 CA ASN A 6 11.270 5.227 -3.738 1.00 53.53 C ATOM 73 C ASN A 6 12.054 4.049 -4.308 1.00 11.14 C ATOM 74 O ASN A 6 13.276 3.982 -4.175 1.00 22.24 O ATOM 75 CB ASN A 6 10.445 4.771 -2.533 1.00 3.22 C ATOM 76 CG ASN A 6 11.315 4.313 -1.378 1.00 13.43 C ATOM 77 OD1 ASN A 6 11.455 5.015 -0.376 1.00 34.34 O ATOM 78 ND2 ASN A 6 11.904 3.131 -1.513 1.00 40.24 N ATOM 0 H ASN A 6 9.409 5.611 -4.627 1.00 30.20 H new ATOM 0 HA ASN A 6 11.979 5.990 -3.416 1.00 53.53 H new ATOM 0 HB2 ASN A 6 9.807 5.590 -2.201 1.00 3.22 H new ATOM 0 HB3 ASN A 6 9.787 3.956 -2.834 1.00 3.22 H new ATOM 0 HD21 ASN A 6 12.501 2.771 -0.769 1.00 40.24 H new ATOM 0 HD22 ASN A 6 11.760 2.583 -2.361 1.00 40.24 H new ATOM 85 N ILE A 7 11.343 3.123 -4.942 1.00 54.41 N ATOM 86 CA ILE A 7 11.972 1.949 -5.533 1.00 10.00 C ATOM 87 C ILE A 7 13.093 2.347 -6.487 1.00 0.52 C ATOM 88 O ILE A 7 14.216 1.857 -6.379 1.00 23.12 O ATOM 89 CB ILE A 7 10.949 1.085 -6.294 1.00 20.34 C ATOM 90 CG1 ILE A 7 9.978 0.424 -5.313 1.00 71.11 C ATOM 91 CG2 ILE A 7 11.662 0.034 -7.131 1.00 22.52 C ATOM 92 CD1 ILE A 7 8.703 -0.066 -5.963 1.00 53.41 C ATOM 0 H ILE A 7 10.331 3.163 -5.060 1.00 54.41 H new ATOM 0 HA ILE A 7 12.387 1.367 -4.711 1.00 10.00 H new ATOM 0 HB ILE A 7 10.378 1.728 -6.964 1.00 20.34 H new ATOM 0 HG12 ILE A 7 10.477 -0.417 -4.831 1.00 71.11 H new ATOM 0 HG13 ILE A 7 9.725 1.137 -4.528 1.00 71.11 H new ATOM 0 HG21 ILE A 7 10.926 -0.569 -7.663 1.00 22.52 H new ATOM 0 HG22 ILE A 7 12.317 0.525 -7.851 1.00 22.52 H new ATOM 0 HG23 ILE A 7 12.255 -0.609 -6.480 1.00 22.52 H new ATOM 0 HD11 ILE A 7 8.062 -0.523 -5.209 1.00 53.41 H new ATOM 0 HD12 ILE A 7 8.182 0.775 -6.421 1.00 53.41 H new ATOM 0 HD13 ILE A 7 8.945 -0.803 -6.728 1.00 53.41 H new ATOM 104 N GLU A 8 12.779 3.242 -7.419 1.00 65.44 N ATOM 105 CA GLU A 8 13.762 3.707 -8.392 1.00 34.33 C ATOM 106 C GLU A 8 15.049 4.144 -7.698 1.00 72.24 C ATOM 107 O GLU A 8 16.148 3.811 -8.141 1.00 55.23 O ATOM 108 CB GLU A 8 13.191 4.867 -9.211 1.00 24.52 C ATOM 109 CG GLU A 8 12.048 4.461 -10.126 1.00 11.33 C ATOM 110 CD GLU A 8 11.786 5.479 -11.218 1.00 41.54 C ATOM 111 OE1 GLU A 8 12.731 5.799 -11.970 1.00 23.23 O ATOM 112 OE2 GLU A 8 10.637 5.957 -11.322 1.00 41.02 O ATOM 0 H GLU A 8 11.854 3.659 -7.521 1.00 65.44 H new ATOM 0 HA GLU A 8 13.994 2.879 -9.061 1.00 34.33 H new ATOM 0 HB2 GLU A 8 12.842 5.644 -8.531 1.00 24.52 H new ATOM 0 HB3 GLU A 8 13.989 5.304 -9.812 1.00 24.52 H new ATOM 0 HG2 GLU A 8 12.276 3.497 -10.580 1.00 11.33 H new ATOM 0 HG3 GLU A 8 11.143 4.328 -9.534 1.00 11.33 H new ATOM 119 N GLU A 9 14.903 4.891 -6.609 1.00 12.51 N ATOM 120 CA GLU A 9 16.054 5.375 -5.855 1.00 53.34 C ATOM 121 C GLU A 9 16.807 4.216 -5.210 1.00 4.24 C ATOM 122 O GLU A 9 18.016 4.070 -5.391 1.00 42.11 O ATOM 123 CB GLU A 9 15.607 6.369 -4.781 1.00 52.12 C ATOM 124 CG GLU A 9 14.896 7.591 -5.340 1.00 25.42 C ATOM 125 CD GLU A 9 15.848 8.734 -5.637 1.00 33.50 C ATOM 126 OE1 GLU A 9 16.444 8.738 -6.735 1.00 13.35 O ATOM 127 OE2 GLU A 9 15.996 9.622 -4.773 1.00 4.42 O ATOM 0 H GLU A 9 14.000 5.174 -6.229 1.00 12.51 H new ATOM 0 HA GLU A 9 16.725 5.880 -6.550 1.00 53.34 H new ATOM 0 HB2 GLU A 9 14.943 5.861 -4.082 1.00 52.12 H new ATOM 0 HB3 GLU A 9 16.479 6.694 -4.214 1.00 52.12 H new ATOM 0 HG2 GLU A 9 14.370 7.314 -6.254 1.00 25.42 H new ATOM 0 HG3 GLU A 9 14.143 7.926 -4.627 1.00 25.42 H new ATOM 134 N ARG A 10 16.084 3.395 -4.455 1.00 4.43 N ATOM 135 CA ARG A 10 16.684 2.250 -3.780 1.00 41.51 C ATOM 136 C ARG A 10 17.425 1.360 -4.774 1.00 54.51 C ATOM 137 O ARG A 10 18.624 1.119 -4.634 1.00 52.52 O ATOM 138 CB ARG A 10 15.610 1.439 -3.054 1.00 74.35 C ATOM 139 CG ARG A 10 15.139 2.074 -1.757 1.00 13.43 C ATOM 140 CD ARG A 10 15.793 1.424 -0.548 1.00 63.11 C ATOM 141 NE ARG A 10 14.924 0.431 0.077 1.00 60.42 N ATOM 142 CZ ARG A 10 13.927 0.740 0.898 1.00 32.52 C ATOM 143 NH1 ARG A 10 13.674 2.008 1.192 1.00 71.53 N ATOM 144 NH2 ARG A 10 13.180 -0.221 1.427 1.00 13.04 N ATOM 0 H ARG A 10 15.082 3.501 -4.295 1.00 4.43 H new ATOM 0 HA ARG A 10 17.401 2.625 -3.050 1.00 41.51 H new ATOM 0 HB2 ARG A 10 14.754 1.310 -3.717 1.00 74.35 H new ATOM 0 HB3 ARG A 10 16.001 0.444 -2.840 1.00 74.35 H new ATOM 0 HG2 ARG A 10 15.369 3.139 -1.768 1.00 13.43 H new ATOM 0 HG3 ARG A 10 14.056 1.983 -1.679 1.00 13.43 H new ATOM 0 HD2 ARG A 10 16.726 0.949 -0.852 1.00 63.11 H new ATOM 0 HD3 ARG A 10 16.049 2.192 0.182 1.00 63.11 H new ATOM 0 HE ARG A 10 15.092 -0.554 -0.128 1.00 60.42 H new ATOM 0 HH11 ARG A 10 14.246 2.749 0.787 1.00 71.53 H new ATOM 0 HH12 ARG A 10 12.907 2.242 1.823 1.00 71.53 H new ATOM 0 HH21 ARG A 10 13.372 -1.197 1.203 1.00 13.04 H new ATOM 0 HH22 ARG A 10 12.414 0.017 2.058 1.00 13.04 H new ATOM 158 N VAL A 11 16.702 0.874 -5.778 1.00 14.10 N ATOM 159 CA VAL A 11 17.289 0.011 -6.796 1.00 4.33 C ATOM 160 C VAL A 11 18.573 0.615 -7.354 1.00 1.53 C ATOM 161 O VAL A 11 19.642 0.009 -7.279 1.00 30.03 O ATOM 162 CB VAL A 11 16.307 -0.239 -7.955 1.00 33.31 C ATOM 163 CG1 VAL A 11 16.892 -1.234 -8.946 1.00 31.14 C ATOM 164 CG2 VAL A 11 14.969 -0.729 -7.422 1.00 72.21 C ATOM 0 H VAL A 11 15.708 1.063 -5.908 1.00 14.10 H new ATOM 0 HA VAL A 11 17.517 -0.939 -6.312 1.00 4.33 H new ATOM 0 HB VAL A 11 16.142 0.703 -8.478 1.00 33.31 H new ATOM 0 HG11 VAL A 11 16.184 -1.398 -9.758 1.00 31.14 H new ATOM 0 HG12 VAL A 11 17.824 -0.839 -9.351 1.00 31.14 H new ATOM 0 HG13 VAL A 11 17.089 -2.179 -8.440 1.00 31.14 H new ATOM 0 HG21 VAL A 11 14.287 -0.901 -8.254 1.00 72.21 H new ATOM 0 HG22 VAL A 11 15.115 -1.660 -6.874 1.00 72.21 H new ATOM 0 HG23 VAL A 11 14.546 0.022 -6.755 1.00 72.21 H new ATOM 174 N LYS A 12 18.461 1.815 -7.914 1.00 1.24 N ATOM 175 CA LYS A 12 19.613 2.505 -8.484 1.00 34.53 C ATOM 176 C LYS A 12 20.740 2.616 -7.463 1.00 2.24 C ATOM 177 O LYS A 12 21.909 2.405 -7.787 1.00 71.01 O ATOM 178 CB LYS A 12 19.209 3.899 -8.969 1.00 24.13 C ATOM 179 CG LYS A 12 18.809 3.941 -10.433 1.00 53.22 C ATOM 180 CD LYS A 12 17.473 3.256 -10.666 1.00 33.22 C ATOM 181 CE LYS A 12 17.288 2.876 -12.127 1.00 22.31 C ATOM 182 NZ LYS A 12 16.771 4.015 -12.935 1.00 60.52 N ATOM 0 H LYS A 12 17.584 2.330 -7.985 1.00 1.24 H new ATOM 0 HA LYS A 12 19.972 1.922 -9.332 1.00 34.53 H new ATOM 0 HB2 LYS A 12 18.377 4.258 -8.363 1.00 24.13 H new ATOM 0 HB3 LYS A 12 20.040 4.586 -8.808 1.00 24.13 H new ATOM 0 HG2 LYS A 12 18.750 4.977 -10.765 1.00 53.22 H new ATOM 0 HG3 LYS A 12 19.577 3.456 -11.035 1.00 53.22 H new ATOM 0 HD2 LYS A 12 17.408 2.362 -10.046 1.00 33.22 H new ATOM 0 HD3 LYS A 12 16.665 3.918 -10.356 1.00 33.22 H new ATOM 0 HE2 LYS A 12 18.240 2.541 -12.539 1.00 22.31 H new ATOM 0 HE3 LYS A 12 16.597 2.036 -12.199 1.00 22.31 H new ATOM 0 HZ1 LYS A 12 15.835 3.772 -13.318 1.00 60.52 H new ATOM 0 HZ2 LYS A 12 16.691 4.859 -12.333 1.00 60.52 H new ATOM 0 HZ3 LYS A 12 17.426 4.210 -13.719 1.00 60.52 H new ATOM 196 N LYS A 13 20.382 2.948 -6.227 1.00 4.22 N ATOM 197 CA LYS A 13 21.363 3.085 -5.157 1.00 1.34 C ATOM 198 C LYS A 13 22.253 1.849 -5.073 1.00 2.44 C ATOM 199 O LYS A 13 23.480 1.955 -5.076 1.00 50.43 O ATOM 200 CB LYS A 13 20.658 3.311 -3.817 1.00 44.30 C ATOM 201 CG LYS A 13 21.593 3.757 -2.706 1.00 20.13 C ATOM 202 CD LYS A 13 20.825 4.346 -1.534 1.00 63.12 C ATOM 203 CE LYS A 13 20.082 3.270 -0.758 1.00 14.13 C ATOM 204 NZ LYS A 13 19.982 3.600 0.691 1.00 53.51 N ATOM 0 H LYS A 13 19.419 3.127 -5.942 1.00 4.22 H new ATOM 0 HA LYS A 13 21.990 3.948 -5.381 1.00 1.34 H new ATOM 0 HB2 LYS A 13 19.879 4.062 -3.948 1.00 44.30 H new ATOM 0 HB3 LYS A 13 20.164 2.387 -3.516 1.00 44.30 H new ATOM 0 HG2 LYS A 13 22.185 2.908 -2.364 1.00 20.13 H new ATOM 0 HG3 LYS A 13 22.292 4.498 -3.093 1.00 20.13 H new ATOM 0 HD2 LYS A 13 21.515 4.865 -0.869 1.00 63.12 H new ATOM 0 HD3 LYS A 13 20.115 5.089 -1.899 1.00 63.12 H new ATOM 0 HE2 LYS A 13 19.081 3.149 -1.173 1.00 14.13 H new ATOM 0 HE3 LYS A 13 20.595 2.316 -0.879 1.00 14.13 H new ATOM 0 HZ1 LYS A 13 19.469 2.842 1.185 1.00 53.51 H new ATOM 0 HZ2 LYS A 13 20.937 3.691 1.093 1.00 53.51 H new ATOM 0 HZ3 LYS A 13 19.470 4.498 0.808 1.00 53.51 H new ATOM 218 N ILE A 14 21.628 0.679 -4.998 1.00 53.44 N ATOM 219 CA ILE A 14 22.364 -0.576 -4.916 1.00 51.14 C ATOM 220 C ILE A 14 23.274 -0.760 -6.126 1.00 54.24 C ATOM 221 O ILE A 14 24.477 -0.976 -5.983 1.00 64.22 O ATOM 222 CB ILE A 14 21.411 -1.782 -4.817 1.00 2.24 C ATOM 223 CG1 ILE A 14 20.610 -1.720 -3.514 1.00 61.35 C ATOM 224 CG2 ILE A 14 22.194 -3.084 -4.902 1.00 53.34 C ATOM 225 CD1 ILE A 14 19.119 -1.578 -3.728 1.00 64.52 C ATOM 0 H ILE A 14 20.613 0.574 -4.992 1.00 53.44 H new ATOM 0 HA ILE A 14 22.971 -0.527 -4.012 1.00 51.14 H new ATOM 0 HB ILE A 14 20.713 -1.745 -5.653 1.00 2.24 H new ATOM 0 HG12 ILE A 14 20.802 -2.624 -2.936 1.00 61.35 H new ATOM 0 HG13 ILE A 14 20.965 -0.879 -2.918 1.00 61.35 H new ATOM 0 HG21 ILE A 14 21.507 -3.927 -4.831 1.00 53.34 H new ATOM 0 HG22 ILE A 14 22.725 -3.128 -5.853 1.00 53.34 H new ATOM 0 HG23 ILE A 14 22.912 -3.131 -4.083 1.00 53.34 H new ATOM 0 HD11 ILE A 14 18.615 -1.540 -2.762 1.00 64.52 H new ATOM 0 HD12 ILE A 14 18.916 -0.660 -4.279 1.00 64.52 H new ATOM 0 HD13 ILE A 14 18.750 -2.431 -4.297 1.00 64.52 H new ATOM 237 N ILE A 15 22.691 -0.670 -7.317 1.00 34.50 N ATOM 238 CA ILE A 15 23.449 -0.824 -8.552 1.00 23.00 C ATOM 239 C ILE A 15 24.664 0.098 -8.569 1.00 53.24 C ATOM 240 O ILE A 15 25.679 -0.207 -9.195 1.00 3.51 O ATOM 241 CB ILE A 15 22.578 -0.531 -9.788 1.00 4.21 C ATOM 242 CG1 ILE A 15 21.405 -1.511 -9.856 1.00 42.42 C ATOM 243 CG2 ILE A 15 23.415 -0.609 -11.056 1.00 42.11 C ATOM 244 CD1 ILE A 15 20.089 -0.854 -10.209 1.00 1.30 C ATOM 0 H ILE A 15 21.696 -0.491 -7.452 1.00 34.50 H new ATOM 0 HA ILE A 15 23.782 -1.861 -8.591 1.00 23.00 H new ATOM 0 HB ILE A 15 22.178 0.479 -9.702 1.00 4.21 H new ATOM 0 HG12 ILE A 15 21.627 -2.281 -10.595 1.00 42.42 H new ATOM 0 HG13 ILE A 15 21.305 -2.013 -8.894 1.00 42.42 H new ATOM 0 HG21 ILE A 15 22.786 -0.400 -11.921 1.00 42.11 H new ATOM 0 HG22 ILE A 15 24.220 0.125 -11.007 1.00 42.11 H new ATOM 0 HG23 ILE A 15 23.840 -1.608 -11.150 1.00 42.11 H new ATOM 0 HD11 ILE A 15 19.302 -1.608 -10.239 1.00 1.30 H new ATOM 0 HD12 ILE A 15 19.844 -0.104 -9.457 1.00 1.30 H new ATOM 0 HD13 ILE A 15 20.171 -0.376 -11.185 1.00 1.30 H new ATOM 256 N VAL A 16 24.553 1.227 -7.877 1.00 15.24 N ATOM 257 CA VAL A 16 25.642 2.193 -7.810 1.00 4.45 C ATOM 258 C VAL A 16 26.714 1.745 -6.823 1.00 3.15 C ATOM 259 O VAL A 16 27.908 1.837 -7.104 1.00 45.45 O ATOM 260 CB VAL A 16 25.132 3.587 -7.398 1.00 41.32 C ATOM 261 CG1 VAL A 16 26.296 4.551 -7.219 1.00 74.41 C ATOM 262 CG2 VAL A 16 24.144 4.117 -8.426 1.00 40.23 C ATOM 0 H VAL A 16 23.719 1.495 -7.354 1.00 15.24 H new ATOM 0 HA VAL A 16 26.073 2.253 -8.809 1.00 4.45 H new ATOM 0 HB VAL A 16 24.615 3.498 -6.442 1.00 41.32 H new ATOM 0 HG11 VAL A 16 25.916 5.530 -6.928 1.00 74.41 H new ATOM 0 HG12 VAL A 16 26.963 4.176 -6.443 1.00 74.41 H new ATOM 0 HG13 VAL A 16 26.844 4.638 -8.157 1.00 74.41 H new ATOM 0 HG21 VAL A 16 23.794 5.103 -8.119 1.00 40.23 H new ATOM 0 HG22 VAL A 16 24.634 4.192 -9.397 1.00 40.23 H new ATOM 0 HG23 VAL A 16 23.295 3.437 -8.499 1.00 40.23 H new ATOM 272 N GLU A 17 26.279 1.259 -5.664 1.00 73.15 N ATOM 273 CA GLU A 17 27.202 0.796 -4.635 1.00 41.22 C ATOM 274 C GLU A 17 27.871 -0.511 -5.052 1.00 10.41 C ATOM 275 O GLU A 17 28.961 -0.838 -4.584 1.00 42.42 O ATOM 276 CB GLU A 17 26.466 0.605 -3.307 1.00 64.43 C ATOM 277 CG GLU A 17 26.195 1.904 -2.569 1.00 4.35 C ATOM 278 CD GLU A 17 27.464 2.564 -2.063 1.00 60.25 C ATOM 279 OE1 GLU A 17 27.974 2.136 -1.007 1.00 12.25 O ATOM 280 OE2 GLU A 17 27.947 3.507 -2.724 1.00 72.23 O ATOM 0 H GLU A 17 25.293 1.176 -5.415 1.00 73.15 H new ATOM 0 HA GLU A 17 27.974 1.554 -4.508 1.00 41.22 H new ATOM 0 HB2 GLU A 17 25.519 0.100 -3.496 1.00 64.43 H new ATOM 0 HB3 GLU A 17 27.055 -0.051 -2.666 1.00 64.43 H new ATOM 0 HG2 GLU A 17 25.672 2.592 -3.233 1.00 4.35 H new ATOM 0 HG3 GLU A 17 25.532 1.707 -1.727 1.00 4.35 H new ATOM 287 N GLN A 18 27.209 -1.253 -5.934 1.00 13.54 N ATOM 288 CA GLN A 18 27.738 -2.524 -6.412 1.00 42.02 C ATOM 289 C GLN A 18 28.748 -2.305 -7.534 1.00 71.41 C ATOM 290 O GLN A 18 29.878 -2.790 -7.469 1.00 65.13 O ATOM 291 CB GLN A 18 26.601 -3.422 -6.901 1.00 70.44 C ATOM 292 CG GLN A 18 25.705 -3.932 -5.784 1.00 55.23 C ATOM 293 CD GLN A 18 26.490 -4.494 -4.616 1.00 62.11 C ATOM 294 OE1 GLN A 18 26.862 -5.668 -4.611 1.00 2.13 O ATOM 295 NE2 GLN A 18 26.747 -3.657 -3.618 1.00 24.23 N ATOM 0 H GLN A 18 26.306 -0.996 -6.332 1.00 13.54 H new ATOM 0 HA GLN A 18 28.246 -3.014 -5.581 1.00 42.02 H new ATOM 0 HB2 GLN A 18 25.995 -2.868 -7.618 1.00 70.44 H new ATOM 0 HB3 GLN A 18 27.025 -4.274 -7.433 1.00 70.44 H new ATOM 0 HG2 GLN A 18 25.071 -3.118 -5.432 1.00 55.23 H new ATOM 0 HG3 GLN A 18 25.044 -4.704 -6.178 1.00 55.23 H new ATOM 0 HE21 GLN A 18 26.419 -2.692 -3.664 1.00 24.23 H new ATOM 0 HE22 GLN A 18 27.272 -3.979 -2.805 1.00 24.23 H new ATOM 304 N LEU A 19 28.333 -1.573 -8.562 1.00 61.51 N ATOM 305 CA LEU A 19 29.201 -1.290 -9.700 1.00 25.53 C ATOM 306 C LEU A 19 30.100 -0.091 -9.414 1.00 73.21 C ATOM 307 O LEU A 19 31.322 -0.217 -9.361 1.00 23.14 O ATOM 308 CB LEU A 19 28.364 -1.028 -10.953 1.00 22.13 C ATOM 309 CG LEU A 19 28.066 -2.246 -11.828 1.00 31.12 C ATOM 310 CD1 LEU A 19 27.121 -3.199 -11.112 1.00 62.01 C ATOM 311 CD2 LEU A 19 27.479 -1.813 -13.163 1.00 15.50 C ATOM 0 H LEU A 19 27.401 -1.165 -8.631 1.00 61.51 H new ATOM 0 HA LEU A 19 29.833 -2.162 -9.869 1.00 25.53 H new ATOM 0 HB2 LEU A 19 27.416 -0.585 -10.646 1.00 22.13 H new ATOM 0 HB3 LEU A 19 28.880 -0.286 -11.562 1.00 22.13 H new ATOM 0 HG LEU A 19 29.002 -2.770 -12.019 1.00 31.12 H new ATOM 0 HD11 LEU A 19 26.920 -4.060 -11.750 1.00 62.01 H new ATOM 0 HD12 LEU A 19 27.579 -3.535 -10.182 1.00 62.01 H new ATOM 0 HD13 LEU A 19 26.185 -2.686 -10.890 1.00 62.01 H new ATOM 0 HD21 LEU A 19 27.273 -2.693 -13.773 1.00 15.50 H new ATOM 0 HD22 LEU A 19 26.552 -1.265 -12.992 1.00 15.50 H new ATOM 0 HD23 LEU A 19 28.190 -1.170 -13.682 1.00 15.50 H new ATOM 323 N GLY A 20 29.484 1.073 -9.229 1.00 74.41 N ATOM 324 CA GLY A 20 30.243 2.277 -8.949 1.00 15.32 C ATOM 325 C GLY A 20 29.878 3.421 -9.875 1.00 32.23 C ATOM 326 O GLY A 20 30.204 4.577 -9.604 1.00 32.30 O ATOM 0 H GLY A 20 28.473 1.203 -9.268 1.00 74.41 H new ATOM 0 HA2 GLY A 20 30.070 2.580 -7.916 1.00 15.32 H new ATOM 0 HA3 GLY A 20 31.307 2.062 -9.044 1.00 15.32 H new ATOM 330 N VAL A 21 29.200 3.099 -10.972 1.00 65.42 N ATOM 331 CA VAL A 21 28.792 4.108 -11.942 1.00 34.30 C ATOM 332 C VAL A 21 27.729 5.032 -11.358 1.00 71.04 C ATOM 333 O VAL A 21 27.385 4.934 -10.180 1.00 60.34 O ATOM 334 CB VAL A 21 28.244 3.461 -13.228 1.00 35.32 C ATOM 335 CG1 VAL A 21 29.294 2.562 -13.863 1.00 35.11 C ATOM 336 CG2 VAL A 21 26.971 2.681 -12.931 1.00 44.11 C ATOM 0 H VAL A 21 28.922 2.147 -11.211 1.00 65.42 H new ATOM 0 HA VAL A 21 29.681 4.690 -12.187 1.00 34.30 H new ATOM 0 HB VAL A 21 28.001 4.252 -13.937 1.00 35.32 H new ATOM 0 HG11 VAL A 21 28.889 2.114 -14.770 1.00 35.11 H new ATOM 0 HG12 VAL A 21 30.176 3.152 -14.113 1.00 35.11 H new ATOM 0 HG13 VAL A 21 29.571 1.775 -13.162 1.00 35.11 H new ATOM 0 HG21 VAL A 21 26.597 2.231 -13.851 1.00 44.11 H new ATOM 0 HG22 VAL A 21 27.186 1.898 -12.204 1.00 44.11 H new ATOM 0 HG23 VAL A 21 26.217 3.356 -12.525 1.00 44.11 H new ATOM 346 N ASP A 22 27.212 5.929 -12.190 1.00 51.34 N ATOM 347 CA ASP A 22 26.186 6.871 -11.758 1.00 2.32 C ATOM 348 C ASP A 22 24.791 6.332 -12.059 1.00 23.03 C ATOM 349 O ASP A 22 24.548 5.778 -13.130 1.00 41.02 O ATOM 350 CB ASP A 22 26.383 8.223 -12.445 1.00 51.50 C ATOM 351 CG ASP A 22 25.901 9.381 -11.593 1.00 51.43 C ATOM 352 OD1 ASP A 22 24.684 9.659 -11.604 1.00 54.05 O ATOM 353 OD2 ASP A 22 26.741 10.010 -10.916 1.00 41.53 O ATOM 0 H ASP A 22 27.487 6.024 -13.168 1.00 51.34 H new ATOM 0 HA ASP A 22 26.280 7.003 -10.680 1.00 2.32 H new ATOM 0 HB2 ASP A 22 27.440 8.360 -12.675 1.00 51.50 H new ATOM 0 HB3 ASP A 22 25.847 8.226 -13.394 1.00 51.50 H new ATOM 358 N GLU A 23 23.880 6.497 -11.105 1.00 51.42 N ATOM 359 CA GLU A 23 22.510 6.025 -11.269 1.00 21.15 C ATOM 360 C GLU A 23 21.843 6.694 -12.467 1.00 11.23 C ATOM 361 O GLU A 23 21.008 6.093 -13.142 1.00 32.15 O ATOM 362 CB GLU A 23 21.698 6.298 -10.001 1.00 22.04 C ATOM 363 CG GLU A 23 21.614 7.771 -9.637 1.00 60.12 C ATOM 364 CD GLU A 23 21.050 7.998 -8.248 1.00 70.30 C ATOM 365 OE1 GLU A 23 20.444 7.058 -7.692 1.00 60.13 O ATOM 366 OE2 GLU A 23 21.215 9.116 -7.717 1.00 22.24 O ATOM 0 H GLU A 23 24.066 6.953 -10.212 1.00 51.42 H new ATOM 0 HA GLU A 23 22.542 4.950 -11.447 1.00 21.15 H new ATOM 0 HB2 GLU A 23 20.689 5.907 -10.135 1.00 22.04 H new ATOM 0 HB3 GLU A 23 22.144 5.752 -9.170 1.00 22.04 H new ATOM 0 HG2 GLU A 23 22.608 8.214 -9.698 1.00 60.12 H new ATOM 0 HG3 GLU A 23 20.990 8.287 -10.367 1.00 60.12 H new ATOM 373 N ALA A 24 22.218 7.943 -12.724 1.00 12.00 N ATOM 374 CA ALA A 24 21.658 8.694 -13.841 1.00 12.13 C ATOM 375 C ALA A 24 21.900 7.974 -15.163 1.00 1.21 C ATOM 376 O ALA A 24 20.956 7.573 -15.843 1.00 45.22 O ATOM 377 CB ALA A 24 22.250 10.095 -13.884 1.00 54.10 C ATOM 0 H ALA A 24 22.907 8.456 -12.174 1.00 12.00 H new ATOM 0 HA ALA A 24 20.581 8.771 -13.692 1.00 12.13 H new ATOM 0 HB1 ALA A 24 21.823 10.645 -14.723 1.00 54.10 H new ATOM 0 HB2 ALA A 24 22.020 10.616 -12.954 1.00 54.10 H new ATOM 0 HB3 ALA A 24 23.331 10.030 -14.006 1.00 54.10 H new ATOM 383 N GLU A 25 23.171 7.815 -15.521 1.00 34.13 N ATOM 384 CA GLU A 25 23.535 7.144 -16.763 1.00 43.41 C ATOM 385 C GLU A 25 22.865 5.777 -16.860 1.00 60.04 C ATOM 386 O GLU A 25 22.584 5.287 -17.954 1.00 41.24 O ATOM 387 CB GLU A 25 25.054 6.988 -16.857 1.00 64.12 C ATOM 388 CG GLU A 25 25.790 8.301 -17.069 1.00 73.41 C ATOM 389 CD GLU A 25 25.914 8.670 -18.535 1.00 31.34 C ATOM 390 OE1 GLU A 25 25.254 8.017 -19.370 1.00 34.05 O ATOM 391 OE2 GLU A 25 26.672 9.612 -18.846 1.00 51.12 O ATOM 0 H GLU A 25 23.964 8.141 -14.969 1.00 34.13 H new ATOM 0 HA GLU A 25 23.188 7.759 -17.594 1.00 43.41 H new ATOM 0 HB2 GLU A 25 25.420 6.520 -15.943 1.00 64.12 H new ATOM 0 HB3 GLU A 25 25.291 6.312 -17.678 1.00 64.12 H new ATOM 0 HG2 GLU A 25 25.265 9.097 -16.541 1.00 73.41 H new ATOM 0 HG3 GLU A 25 26.785 8.230 -16.630 1.00 73.41 H new ATOM 398 N VAL A 26 22.612 5.165 -15.708 1.00 10.12 N ATOM 399 CA VAL A 26 21.975 3.855 -15.662 1.00 34.43 C ATOM 400 C VAL A 26 20.495 3.950 -16.016 1.00 51.43 C ATOM 401 O VAL A 26 19.639 4.053 -15.137 1.00 24.12 O ATOM 402 CB VAL A 26 22.117 3.210 -14.270 1.00 60.22 C ATOM 403 CG1 VAL A 26 21.450 1.843 -14.244 1.00 12.21 C ATOM 404 CG2 VAL A 26 23.584 3.104 -13.880 1.00 74.12 C ATOM 0 H VAL A 26 22.839 5.556 -14.794 1.00 10.12 H new ATOM 0 HA VAL A 26 22.483 3.231 -16.398 1.00 34.43 H new ATOM 0 HB VAL A 26 21.615 3.846 -13.541 1.00 60.22 H new ATOM 0 HG11 VAL A 26 21.561 1.403 -13.253 1.00 12.21 H new ATOM 0 HG12 VAL A 26 20.391 1.951 -14.477 1.00 12.21 H new ATOM 0 HG13 VAL A 26 21.920 1.195 -14.983 1.00 12.21 H new ATOM 0 HG21 VAL A 26 23.666 2.646 -12.894 1.00 74.12 H new ATOM 0 HG22 VAL A 26 24.111 2.490 -14.610 1.00 74.12 H new ATOM 0 HG23 VAL A 26 24.027 4.100 -13.856 1.00 74.12 H new ATOM 414 N LYS A 27 20.199 3.916 -17.311 1.00 42.02 N ATOM 415 CA LYS A 27 18.822 3.997 -17.784 1.00 44.05 C ATOM 416 C LYS A 27 17.992 2.837 -17.244 1.00 42.10 C ATOM 417 O LYS A 27 18.530 1.893 -16.667 1.00 13.23 O ATOM 418 CB LYS A 27 18.786 3.995 -19.314 1.00 64.44 C ATOM 419 CG LYS A 27 19.239 5.305 -19.936 1.00 32.34 C ATOM 420 CD LYS A 27 19.364 5.192 -21.446 1.00 13.13 C ATOM 421 CE LYS A 27 20.697 4.581 -21.851 1.00 15.33 C ATOM 422 NZ LYS A 27 20.872 4.564 -23.329 1.00 60.54 N ATOM 0 H LYS A 27 20.895 3.833 -18.052 1.00 42.02 H new ATOM 0 HA LYS A 27 18.392 4.929 -17.418 1.00 44.05 H new ATOM 0 HB2 LYS A 27 19.421 3.189 -19.683 1.00 64.44 H new ATOM 0 HB3 LYS A 27 17.770 3.778 -19.645 1.00 64.44 H new ATOM 0 HG2 LYS A 27 18.527 6.092 -19.687 1.00 32.34 H new ATOM 0 HG3 LYS A 27 20.199 5.597 -19.511 1.00 32.34 H new ATOM 0 HD2 LYS A 27 18.549 4.581 -21.835 1.00 13.13 H new ATOM 0 HD3 LYS A 27 19.264 6.180 -21.895 1.00 13.13 H new ATOM 0 HE2 LYS A 27 21.509 5.147 -21.395 1.00 15.33 H new ATOM 0 HE3 LYS A 27 20.762 3.563 -21.466 1.00 15.33 H new ATOM 0 HZ1 LYS A 27 21.792 4.140 -23.565 1.00 60.54 H new ATOM 0 HZ2 LYS A 27 20.111 4.003 -23.762 1.00 60.54 H new ATOM 0 HZ3 LYS A 27 20.835 5.537 -23.694 1.00 60.54 H new ATOM 436 N ASN A 28 16.679 2.915 -17.437 1.00 24.31 N ATOM 437 CA ASN A 28 15.775 1.870 -16.969 1.00 43.33 C ATOM 438 C ASN A 28 15.648 0.757 -18.005 1.00 53.30 C ATOM 439 O ASN A 28 15.375 -0.393 -17.664 1.00 13.25 O ATOM 440 CB ASN A 28 14.396 2.459 -16.665 1.00 4.23 C ATOM 441 CG ASN A 28 14.289 2.973 -15.242 1.00 14.20 C ATOM 442 OD1 ASN A 28 14.602 4.131 -14.963 1.00 31.41 O ATOM 443 ND2 ASN A 28 13.844 2.112 -14.334 1.00 51.11 N ATOM 0 H ASN A 28 16.218 3.690 -17.914 1.00 24.31 H new ATOM 0 HA ASN A 28 16.191 1.446 -16.055 1.00 43.33 H new ATOM 0 HB2 ASN A 28 14.191 3.274 -17.359 1.00 4.23 H new ATOM 0 HB3 ASN A 28 13.634 1.698 -16.832 1.00 4.23 H new ATOM 0 HD21 ASN A 28 13.750 2.401 -13.360 1.00 51.11 H new ATOM 0 HD22 ASN A 28 13.596 1.162 -14.610 1.00 51.11 H new ATOM 450 N GLU A 29 15.848 1.109 -19.271 1.00 51.04 N ATOM 451 CA GLU A 29 15.755 0.139 -20.357 1.00 10.55 C ATOM 452 C GLU A 29 17.129 -0.433 -20.694 1.00 52.20 C ATOM 453 O GLU A 29 17.445 -0.669 -21.860 1.00 3.44 O ATOM 454 CB GLU A 29 15.142 0.789 -21.599 1.00 35.40 C ATOM 455 CG GLU A 29 15.938 1.971 -22.124 1.00 10.31 C ATOM 456 CD GLU A 29 16.781 1.616 -23.333 1.00 41.32 C ATOM 457 OE1 GLU A 29 16.260 0.932 -24.239 1.00 12.31 O ATOM 458 OE2 GLU A 29 17.961 2.022 -23.374 1.00 63.21 O ATOM 0 H GLU A 29 16.075 2.057 -19.570 1.00 51.04 H new ATOM 0 HA GLU A 29 15.112 -0.677 -20.028 1.00 10.55 H new ATOM 0 HB2 GLU A 29 15.058 0.040 -22.386 1.00 35.40 H new ATOM 0 HB3 GLU A 29 14.130 1.119 -21.364 1.00 35.40 H new ATOM 0 HG2 GLU A 29 15.253 2.777 -22.387 1.00 10.31 H new ATOM 0 HG3 GLU A 29 16.585 2.349 -21.333 1.00 10.31 H new ATOM 465 N ALA A 30 17.941 -0.653 -19.665 1.00 55.10 N ATOM 466 CA ALA A 30 19.279 -1.199 -19.851 1.00 43.53 C ATOM 467 C ALA A 30 19.437 -2.527 -19.120 1.00 24.05 C ATOM 468 O ALA A 30 18.495 -3.023 -18.503 1.00 14.02 O ATOM 469 CB ALA A 30 20.326 -0.203 -19.374 1.00 1.12 C ATOM 0 H ALA A 30 17.695 -0.461 -18.694 1.00 55.10 H new ATOM 0 HA ALA A 30 19.425 -1.382 -20.916 1.00 43.53 H new ATOM 0 HB1 ALA A 30 21.321 -0.624 -19.519 1.00 1.12 H new ATOM 0 HB2 ALA A 30 20.236 0.721 -19.945 1.00 1.12 H new ATOM 0 HB3 ALA A 30 20.172 0.008 -18.316 1.00 1.12 H new ATOM 475 N SER A 31 20.635 -3.099 -19.193 1.00 1.22 N ATOM 476 CA SER A 31 20.915 -4.373 -18.541 1.00 1.32 C ATOM 477 C SER A 31 22.216 -4.302 -17.747 1.00 21.31 C ATOM 478 O SER A 31 23.028 -3.398 -17.943 1.00 64.10 O ATOM 479 CB SER A 31 20.998 -5.494 -19.579 1.00 11.43 C ATOM 480 OG SER A 31 21.248 -6.744 -18.960 1.00 55.13 O ATOM 0 H SER A 31 21.427 -2.700 -19.697 1.00 1.22 H new ATOM 0 HA SER A 31 20.099 -4.587 -17.850 1.00 1.32 H new ATOM 0 HB2 SER A 31 20.066 -5.543 -20.141 1.00 11.43 H new ATOM 0 HB3 SER A 31 21.790 -5.274 -20.294 1.00 11.43 H new ATOM 0 HG SER A 31 20.713 -7.439 -19.398 1.00 55.13 H new ATOM 486 N PHE A 32 22.407 -5.263 -16.849 1.00 73.31 N ATOM 487 CA PHE A 32 23.608 -5.311 -16.024 1.00 31.13 C ATOM 488 C PHE A 32 24.825 -5.702 -16.857 1.00 20.13 C ATOM 489 O PHE A 32 25.929 -5.203 -16.637 1.00 14.23 O ATOM 490 CB PHE A 32 23.423 -6.303 -14.874 1.00 31.25 C ATOM 491 CG PHE A 32 22.165 -6.079 -14.085 1.00 13.53 C ATOM 492 CD1 PHE A 32 21.639 -4.805 -13.942 1.00 11.41 C ATOM 493 CD2 PHE A 32 21.508 -7.141 -13.485 1.00 70.45 C ATOM 494 CE1 PHE A 32 20.481 -4.594 -13.217 1.00 31.51 C ATOM 495 CE2 PHE A 32 20.350 -6.937 -12.760 1.00 34.42 C ATOM 496 CZ PHE A 32 19.836 -5.662 -12.624 1.00 61.32 C ATOM 0 H PHE A 32 21.745 -6.019 -16.674 1.00 73.31 H new ATOM 0 HA PHE A 32 23.776 -4.316 -15.613 1.00 31.13 H new ATOM 0 HB2 PHE A 32 23.414 -7.316 -15.277 1.00 31.25 H new ATOM 0 HB3 PHE A 32 24.280 -6.234 -14.204 1.00 31.25 H new ATOM 0 HD1 PHE A 32 22.140 -3.966 -14.403 1.00 11.41 H new ATOM 0 HD2 PHE A 32 21.906 -8.140 -13.585 1.00 70.45 H new ATOM 0 HE1 PHE A 32 20.081 -3.596 -13.114 1.00 31.51 H new ATOM 0 HE2 PHE A 32 19.847 -7.774 -12.300 1.00 34.42 H new ATOM 0 HZ PHE A 32 18.932 -5.501 -12.055 1.00 61.32 H new ATOM 506 N VAL A 33 24.616 -6.600 -17.815 1.00 15.24 N ATOM 507 CA VAL A 33 25.694 -7.058 -18.682 1.00 22.54 C ATOM 508 C VAL A 33 25.319 -6.908 -20.152 1.00 23.13 C ATOM 509 O VAL A 33 26.146 -6.519 -20.977 1.00 53.20 O ATOM 510 CB VAL A 33 26.051 -8.530 -18.402 1.00 65.43 C ATOM 511 CG1 VAL A 33 27.160 -8.997 -19.333 1.00 60.04 C ATOM 512 CG2 VAL A 33 26.454 -8.713 -16.947 1.00 21.52 C ATOM 0 H VAL A 33 23.709 -7.025 -18.010 1.00 15.24 H new ATOM 0 HA VAL A 33 26.561 -6.434 -18.466 1.00 22.54 H new ATOM 0 HB VAL A 33 25.169 -9.142 -18.591 1.00 65.43 H new ATOM 0 HG11 VAL A 33 27.399 -10.039 -19.120 1.00 60.04 H new ATOM 0 HG12 VAL A 33 26.830 -8.904 -20.368 1.00 60.04 H new ATOM 0 HG13 VAL A 33 28.047 -8.383 -19.179 1.00 60.04 H new ATOM 0 HG21 VAL A 33 26.703 -9.759 -16.767 1.00 21.52 H new ATOM 0 HG22 VAL A 33 27.322 -8.091 -16.729 1.00 21.52 H new ATOM 0 HG23 VAL A 33 25.626 -8.421 -16.301 1.00 21.52 H new ATOM 522 N ASP A 34 24.068 -7.219 -20.472 1.00 0.30 N ATOM 523 CA ASP A 34 23.582 -7.117 -21.843 1.00 50.31 C ATOM 524 C ASP A 34 23.860 -5.731 -22.416 1.00 53.44 C ATOM 525 O ASP A 34 24.030 -5.571 -23.625 1.00 45.41 O ATOM 526 CB ASP A 34 22.083 -7.414 -21.899 1.00 32.31 C ATOM 527 CG ASP A 34 21.698 -8.222 -23.123 1.00 11.21 C ATOM 528 OD1 ASP A 34 22.463 -9.136 -23.494 1.00 73.15 O ATOM 529 OD2 ASP A 34 20.632 -7.939 -23.710 1.00 3.21 O ATOM 0 H ASP A 34 23.372 -7.544 -19.801 1.00 0.30 H new ATOM 0 HA ASP A 34 24.113 -7.853 -22.446 1.00 50.31 H new ATOM 0 HB2 ASP A 34 21.790 -7.958 -21.001 1.00 32.31 H new ATOM 0 HB3 ASP A 34 21.529 -6.475 -21.898 1.00 32.31 H new ATOM 534 N ASP A 35 23.902 -4.732 -21.542 1.00 2.15 N ATOM 535 CA ASP A 35 24.159 -3.359 -21.960 1.00 50.24 C ATOM 536 C ASP A 35 25.385 -2.794 -21.250 1.00 22.31 C ATOM 537 O ASP A 35 26.381 -2.448 -21.887 1.00 55.53 O ATOM 538 CB ASP A 35 22.940 -2.480 -21.676 1.00 51.13 C ATOM 539 CG ASP A 35 22.866 -1.278 -22.597 1.00 55.12 C ATOM 540 OD1 ASP A 35 23.012 -1.461 -23.824 1.00 11.34 O ATOM 541 OD2 ASP A 35 22.662 -0.154 -22.091 1.00 71.24 O ATOM 0 H ASP A 35 23.761 -4.847 -20.538 1.00 2.15 H new ATOM 0 HA ASP A 35 24.353 -3.363 -23.033 1.00 50.24 H new ATOM 0 HB2 ASP A 35 22.033 -3.075 -21.786 1.00 51.13 H new ATOM 0 HB3 ASP A 35 22.974 -2.140 -20.641 1.00 51.13 H new ATOM 546 N LEU A 36 25.306 -2.704 -19.927 1.00 5.31 N ATOM 547 CA LEU A 36 26.410 -2.180 -19.129 1.00 33.01 C ATOM 548 C LEU A 36 27.715 -2.890 -19.473 1.00 3.24 C ATOM 549 O LEU A 36 28.794 -2.305 -19.382 1.00 20.32 O ATOM 550 CB LEU A 36 26.107 -2.339 -17.638 1.00 12.31 C ATOM 551 CG LEU A 36 25.530 -1.109 -16.935 1.00 45.14 C ATOM 552 CD1 LEU A 36 26.474 0.076 -17.074 1.00 74.01 C ATOM 553 CD2 LEU A 36 24.158 -0.769 -17.497 1.00 15.34 C ATOM 0 H LEU A 36 24.490 -2.987 -19.384 1.00 5.31 H new ATOM 0 HA LEU A 36 26.523 -1.121 -19.360 1.00 33.01 H new ATOM 0 HB2 LEU A 36 25.406 -3.165 -17.516 1.00 12.31 H new ATOM 0 HB3 LEU A 36 27.028 -2.625 -17.129 1.00 12.31 H new ATOM 0 HG LEU A 36 25.420 -1.337 -15.875 1.00 45.14 H new ATOM 0 HD11 LEU A 36 26.048 0.942 -16.568 1.00 74.01 H new ATOM 0 HD12 LEU A 36 27.436 -0.170 -16.624 1.00 74.01 H new ATOM 0 HD13 LEU A 36 26.616 0.306 -18.130 1.00 74.01 H new ATOM 0 HD21 LEU A 36 23.762 0.108 -16.985 1.00 15.34 H new ATOM 0 HD22 LEU A 36 24.243 -0.560 -18.563 1.00 15.34 H new ATOM 0 HD23 LEU A 36 23.484 -1.612 -17.346 1.00 15.34 H new ATOM 565 N GLY A 37 27.609 -4.154 -19.870 1.00 70.21 N ATOM 566 CA GLY A 37 28.788 -4.922 -20.224 1.00 23.33 C ATOM 567 C GLY A 37 29.512 -5.466 -19.008 1.00 3.21 C ATOM 568 O GLY A 37 30.677 -5.854 -19.093 1.00 30.02 O ATOM 0 H GLY A 37 26.727 -4.660 -19.953 1.00 70.21 H new ATOM 0 HA2 GLY A 37 28.498 -5.750 -20.871 1.00 23.33 H new ATOM 0 HA3 GLY A 37 29.469 -4.293 -20.797 1.00 23.33 H new ATOM 572 N ALA A 38 28.822 -5.492 -17.873 1.00 32.14 N ATOM 573 CA ALA A 38 29.406 -5.992 -16.634 1.00 62.05 C ATOM 574 C ALA A 38 29.588 -7.505 -16.685 1.00 34.32 C ATOM 575 O ALA A 38 29.432 -8.124 -17.738 1.00 10.12 O ATOM 576 CB ALA A 38 28.539 -5.602 -15.446 1.00 45.44 C ATOM 0 H ALA A 38 27.857 -5.173 -17.785 1.00 32.14 H new ATOM 0 HA ALA A 38 30.390 -5.538 -16.516 1.00 62.05 H new ATOM 0 HB1 ALA A 38 28.987 -5.982 -14.528 1.00 45.44 H new ATOM 0 HB2 ALA A 38 28.465 -4.516 -15.391 1.00 45.44 H new ATOM 0 HB3 ALA A 38 27.543 -6.028 -15.567 1.00 45.44 H new ATOM 582 N ASP A 39 29.918 -8.095 -15.541 1.00 70.13 N ATOM 583 CA ASP A 39 30.120 -9.537 -15.455 1.00 43.31 C ATOM 584 C ASP A 39 28.974 -10.202 -14.701 1.00 35.32 C ATOM 585 O ASP A 39 28.216 -9.539 -13.992 1.00 70.53 O ATOM 586 CB ASP A 39 31.449 -9.846 -14.764 1.00 63.33 C ATOM 587 CG ASP A 39 32.635 -9.246 -15.494 1.00 52.00 C ATOM 588 OD1 ASP A 39 32.931 -8.055 -15.264 1.00 65.11 O ATOM 589 OD2 ASP A 39 33.266 -9.967 -16.296 1.00 15.22 O ATOM 0 H ASP A 39 30.051 -7.597 -14.661 1.00 70.13 H new ATOM 0 HA ASP A 39 30.144 -9.937 -16.469 1.00 43.31 H new ATOM 0 HB2 ASP A 39 31.422 -9.463 -13.744 1.00 63.33 H new ATOM 0 HB3 ASP A 39 31.577 -10.926 -14.696 1.00 63.33 H new ATOM 594 N SER A 40 28.852 -11.516 -14.859 1.00 74.42 N ATOM 595 CA SER A 40 27.794 -12.271 -14.197 1.00 61.21 C ATOM 596 C SER A 40 27.775 -11.980 -12.700 1.00 21.45 C ATOM 597 O SER A 40 26.712 -11.911 -12.082 1.00 35.10 O ATOM 598 CB SER A 40 27.983 -13.771 -14.435 1.00 4.34 C ATOM 599 OG SER A 40 29.353 -14.091 -14.603 1.00 24.41 O ATOM 0 H SER A 40 29.473 -12.080 -15.440 1.00 74.42 H new ATOM 0 HA SER A 40 26.839 -11.961 -14.622 1.00 61.21 H new ATOM 0 HB2 SER A 40 27.576 -14.330 -13.593 1.00 4.34 H new ATOM 0 HB3 SER A 40 27.424 -14.076 -15.320 1.00 4.34 H new ATOM 0 HG SER A 40 29.448 -15.055 -14.752 1.00 24.41 H new ATOM 605 N LEU A 41 28.959 -11.811 -12.121 1.00 70.22 N ATOM 606 CA LEU A 41 29.080 -11.528 -10.695 1.00 44.44 C ATOM 607 C LEU A 41 28.195 -10.351 -10.297 1.00 21.12 C ATOM 608 O LEU A 41 27.707 -10.283 -9.169 1.00 34.22 O ATOM 609 CB LEU A 41 30.537 -11.229 -10.337 1.00 42.31 C ATOM 610 CG LEU A 41 30.993 -11.680 -8.949 1.00 62.01 C ATOM 611 CD1 LEU A 41 30.214 -10.949 -7.867 1.00 52.32 C ATOM 612 CD2 LEU A 41 30.833 -13.186 -8.799 1.00 3.13 C ATOM 0 H LEU A 41 29.849 -11.865 -12.617 1.00 70.22 H new ATOM 0 HA LEU A 41 28.750 -12.409 -10.145 1.00 44.44 H new ATOM 0 HB2 LEU A 41 31.178 -11.704 -11.080 1.00 42.31 H new ATOM 0 HB3 LEU A 41 30.697 -10.154 -10.419 1.00 42.31 H new ATOM 0 HG LEU A 41 32.049 -11.433 -8.836 1.00 62.01 H new ATOM 0 HD11 LEU A 41 30.552 -11.283 -6.886 1.00 52.32 H new ATOM 0 HD12 LEU A 41 30.379 -9.876 -7.962 1.00 52.32 H new ATOM 0 HD13 LEU A 41 29.151 -11.163 -7.976 1.00 52.32 H new ATOM 0 HD21 LEU A 41 31.162 -13.490 -7.805 1.00 3.13 H new ATOM 0 HD22 LEU A 41 29.785 -13.456 -8.932 1.00 3.13 H new ATOM 0 HD23 LEU A 41 31.437 -13.693 -9.552 1.00 3.13 H new ATOM 624 N ASP A 42 27.991 -9.428 -11.230 1.00 62.22 N ATOM 625 CA ASP A 42 27.162 -8.256 -10.978 1.00 13.42 C ATOM 626 C ASP A 42 25.691 -8.645 -10.861 1.00 63.14 C ATOM 627 O ASP A 42 25.049 -8.390 -9.842 1.00 74.23 O ATOM 628 CB ASP A 42 27.343 -7.226 -12.095 1.00 34.44 C ATOM 629 CG ASP A 42 26.364 -6.074 -11.984 1.00 1.23 C ATOM 630 OD1 ASP A 42 25.884 -5.809 -10.862 1.00 25.13 O ATOM 631 OD2 ASP A 42 26.077 -5.437 -13.019 1.00 42.12 O ATOM 0 H ASP A 42 28.389 -9.469 -12.168 1.00 62.22 H new ATOM 0 HA ASP A 42 27.479 -7.815 -10.033 1.00 13.42 H new ATOM 0 HB2 ASP A 42 28.361 -6.838 -12.066 1.00 34.44 H new ATOM 0 HB3 ASP A 42 27.216 -7.715 -13.061 1.00 34.44 H new ATOM 636 N THR A 43 25.163 -9.264 -11.913 1.00 1.11 N ATOM 637 CA THR A 43 23.768 -9.686 -11.930 1.00 24.50 C ATOM 638 C THR A 43 23.423 -10.494 -10.684 1.00 64.11 C ATOM 639 O THR A 43 22.318 -10.392 -10.152 1.00 73.44 O ATOM 640 CB THR A 43 23.452 -10.531 -13.179 1.00 45.30 C ATOM 641 OG1 THR A 43 24.227 -11.735 -13.165 1.00 35.32 O ATOM 642 CG2 THR A 43 23.747 -9.748 -14.450 1.00 14.12 C ATOM 0 H THR A 43 25.681 -9.484 -12.764 1.00 1.11 H new ATOM 0 HA THR A 43 23.164 -8.779 -11.951 1.00 24.50 H new ATOM 0 HB THR A 43 22.391 -10.782 -13.162 1.00 45.30 H new ATOM 0 HG1 THR A 43 25.093 -11.561 -12.741 1.00 35.32 H new ATOM 0 HG21 THR A 43 23.516 -10.364 -15.319 1.00 14.12 H new ATOM 0 HG22 THR A 43 23.135 -8.846 -14.472 1.00 14.12 H new ATOM 0 HG23 THR A 43 24.801 -9.472 -14.471 1.00 14.12 H new ATOM 650 N VAL A 44 24.377 -11.297 -10.222 1.00 11.32 N ATOM 651 CA VAL A 44 24.174 -12.121 -9.036 1.00 42.04 C ATOM 652 C VAL A 44 24.083 -11.263 -7.779 1.00 61.14 C ATOM 653 O VAL A 44 23.103 -11.332 -7.039 1.00 74.32 O ATOM 654 CB VAL A 44 25.311 -13.146 -8.864 1.00 42.50 C ATOM 655 CG1 VAL A 44 25.090 -13.984 -7.614 1.00 73.25 C ATOM 656 CG2 VAL A 44 25.422 -14.030 -10.097 1.00 4.22 C ATOM 0 H VAL A 44 25.297 -11.394 -10.651 1.00 11.32 H new ATOM 0 HA VAL A 44 23.233 -12.653 -9.177 1.00 42.04 H new ATOM 0 HB VAL A 44 26.250 -12.605 -8.748 1.00 42.50 H new ATOM 0 HG11 VAL A 44 25.903 -14.702 -7.509 1.00 73.25 H new ATOM 0 HG12 VAL A 44 25.065 -13.334 -6.740 1.00 73.25 H new ATOM 0 HG13 VAL A 44 24.143 -14.517 -7.696 1.00 73.25 H new ATOM 0 HG21 VAL A 44 26.230 -14.748 -9.958 1.00 4.22 H new ATOM 0 HG22 VAL A 44 24.484 -14.564 -10.247 1.00 4.22 H new ATOM 0 HG23 VAL A 44 25.632 -13.412 -10.970 1.00 4.22 H new ATOM 666 N GLU A 45 25.112 -10.454 -7.546 1.00 30.45 N ATOM 667 CA GLU A 45 25.147 -9.583 -6.377 1.00 44.21 C ATOM 668 C GLU A 45 23.930 -8.663 -6.347 1.00 70.22 C ATOM 669 O GLU A 45 23.448 -8.287 -5.278 1.00 11.11 O ATOM 670 CB GLU A 45 26.430 -8.749 -6.374 1.00 43.10 C ATOM 671 CG GLU A 45 26.259 -7.366 -6.981 1.00 21.42 C ATOM 672 CD GLU A 45 27.584 -6.700 -7.297 1.00 10.23 C ATOM 673 OE1 GLU A 45 28.461 -6.674 -6.408 1.00 1.10 O ATOM 674 OE2 GLU A 45 27.744 -6.204 -8.432 1.00 33.24 O ATOM 0 H GLU A 45 25.931 -10.384 -8.150 1.00 30.45 H new ATOM 0 HA GLU A 45 25.128 -10.211 -5.487 1.00 44.21 H new ATOM 0 HB2 GLU A 45 26.783 -8.645 -5.348 1.00 43.10 H new ATOM 0 HB3 GLU A 45 27.203 -9.285 -6.925 1.00 43.10 H new ATOM 0 HG2 GLU A 45 25.669 -7.445 -7.894 1.00 21.42 H new ATOM 0 HG3 GLU A 45 25.696 -6.737 -6.291 1.00 21.42 H new ATOM 681 N LEU A 46 23.438 -8.304 -7.528 1.00 30.52 N ATOM 682 CA LEU A 46 22.277 -7.428 -7.639 1.00 31.34 C ATOM 683 C LEU A 46 21.007 -8.149 -7.198 1.00 72.11 C ATOM 684 O LEU A 46 20.213 -7.613 -6.425 1.00 75.11 O ATOM 685 CB LEU A 46 22.123 -6.933 -9.078 1.00 13.24 C ATOM 686 CG LEU A 46 23.162 -5.917 -9.553 1.00 11.35 C ATOM 687 CD1 LEU A 46 22.996 -5.639 -11.038 1.00 44.45 C ATOM 688 CD2 LEU A 46 23.052 -4.628 -8.751 1.00 43.54 C ATOM 0 H LEU A 46 23.825 -8.606 -8.422 1.00 30.52 H new ATOM 0 HA LEU A 46 22.434 -6.572 -6.982 1.00 31.34 H new ATOM 0 HB2 LEU A 46 22.157 -7.796 -9.743 1.00 13.24 H new ATOM 0 HB3 LEU A 46 21.134 -6.488 -9.184 1.00 13.24 H new ATOM 0 HG LEU A 46 24.155 -6.338 -9.392 1.00 11.35 H new ATOM 0 HD11 LEU A 46 23.744 -4.914 -11.358 1.00 44.45 H new ATOM 0 HD12 LEU A 46 23.125 -6.565 -11.598 1.00 44.45 H new ATOM 0 HD13 LEU A 46 21.999 -5.239 -11.224 1.00 44.45 H new ATOM 0 HD21 LEU A 46 23.799 -3.916 -9.102 1.00 43.54 H new ATOM 0 HD22 LEU A 46 22.057 -4.203 -8.880 1.00 43.54 H new ATOM 0 HD23 LEU A 46 23.222 -4.841 -7.695 1.00 43.54 H new ATOM 700 N VAL A 47 20.822 -9.369 -7.694 1.00 5.34 N ATOM 701 CA VAL A 47 19.651 -10.165 -7.349 1.00 12.03 C ATOM 702 C VAL A 47 19.549 -10.368 -5.841 1.00 71.32 C ATOM 703 O VAL A 47 18.499 -10.136 -5.243 1.00 72.11 O ATOM 704 CB VAL A 47 19.684 -11.541 -8.040 1.00 51.12 C ATOM 705 CG1 VAL A 47 18.519 -12.401 -7.574 1.00 41.02 C ATOM 706 CG2 VAL A 47 19.665 -11.377 -9.552 1.00 61.34 C ATOM 0 H VAL A 47 21.469 -9.827 -8.336 1.00 5.34 H new ATOM 0 HA VAL A 47 18.779 -9.612 -7.698 1.00 12.03 H new ATOM 0 HB VAL A 47 20.610 -12.046 -7.763 1.00 51.12 H new ATOM 0 HG11 VAL A 47 18.559 -13.369 -8.073 1.00 41.02 H new ATOM 0 HG12 VAL A 47 18.582 -12.546 -6.495 1.00 41.02 H new ATOM 0 HG13 VAL A 47 17.580 -11.905 -7.819 1.00 41.02 H new ATOM 0 HG21 VAL A 47 19.689 -12.359 -10.025 1.00 61.34 H new ATOM 0 HG22 VAL A 47 18.757 -10.853 -9.850 1.00 61.34 H new ATOM 0 HG23 VAL A 47 20.536 -10.802 -9.867 1.00 61.34 H new ATOM 716 N MET A 48 20.647 -10.803 -5.233 1.00 25.13 N ATOM 717 CA MET A 48 20.682 -11.036 -3.794 1.00 21.24 C ATOM 718 C MET A 48 20.464 -9.736 -3.027 1.00 4.42 C ATOM 719 O MET A 48 19.825 -9.724 -1.975 1.00 41.24 O ATOM 720 CB MET A 48 22.018 -11.663 -3.389 1.00 12.01 C ATOM 721 CG MET A 48 23.206 -10.734 -3.576 1.00 24.04 C ATOM 722 SD MET A 48 24.760 -11.479 -3.045 1.00 63.11 S ATOM 723 CE MET A 48 24.750 -11.078 -1.300 1.00 12.54 C ATOM 0 H MET A 48 21.524 -11.001 -5.714 1.00 25.13 H new ATOM 0 HA MET A 48 19.875 -11.725 -3.543 1.00 21.24 H new ATOM 0 HB2 MET A 48 21.966 -11.967 -2.343 1.00 12.01 H new ATOM 0 HB3 MET A 48 22.178 -12.567 -3.976 1.00 12.01 H new ATOM 0 HG2 MET A 48 23.282 -10.454 -4.627 1.00 24.04 H new ATOM 0 HG3 MET A 48 23.037 -9.816 -3.013 1.00 24.04 H new ATOM 0 HE1 MET A 48 25.651 -11.473 -0.831 1.00 12.54 H new ATOM 0 HE2 MET A 48 24.721 -9.996 -1.176 1.00 12.54 H new ATOM 0 HE3 MET A 48 23.872 -11.521 -0.830 1.00 12.54 H new ATOM 733 N ALA A 49 21.000 -8.643 -3.560 1.00 44.31 N ATOM 734 CA ALA A 49 20.863 -7.337 -2.927 1.00 32.25 C ATOM 735 C ALA A 49 19.397 -6.933 -2.814 1.00 34.52 C ATOM 736 O ALA A 49 18.969 -6.388 -1.796 1.00 33.14 O ATOM 737 CB ALA A 49 21.643 -6.288 -3.705 1.00 12.02 C ATOM 0 H ALA A 49 21.534 -8.636 -4.429 1.00 44.31 H new ATOM 0 HA ALA A 49 21.273 -7.405 -1.919 1.00 32.25 H new ATOM 0 HB1 ALA A 49 21.531 -5.318 -3.221 1.00 12.02 H new ATOM 0 HB2 ALA A 49 22.698 -6.562 -3.729 1.00 12.02 H new ATOM 0 HB3 ALA A 49 21.260 -6.231 -4.724 1.00 12.02 H new ATOM 743 N LEU A 50 18.631 -7.204 -3.865 1.00 40.42 N ATOM 744 CA LEU A 50 17.212 -6.868 -3.885 1.00 15.34 C ATOM 745 C LEU A 50 16.434 -7.730 -2.895 1.00 44.10 C ATOM 746 O LEU A 50 15.800 -7.216 -1.975 1.00 13.42 O ATOM 747 CB LEU A 50 16.643 -7.050 -5.293 1.00 43.21 C ATOM 748 CG LEU A 50 17.259 -6.173 -6.384 1.00 3.01 C ATOM 749 CD1 LEU A 50 16.941 -6.733 -7.762 1.00 4.23 C ATOM 750 CD2 LEU A 50 16.762 -4.740 -6.261 1.00 31.14 C ATOM 0 H LEU A 50 18.969 -7.656 -4.715 1.00 40.42 H new ATOM 0 HA LEU A 50 17.108 -5.824 -3.590 1.00 15.34 H new ATOM 0 HB2 LEU A 50 16.766 -8.094 -5.581 1.00 43.21 H new ATOM 0 HB3 LEU A 50 15.571 -6.853 -5.259 1.00 43.21 H new ATOM 0 HG LEU A 50 18.341 -6.173 -6.255 1.00 3.01 H new ATOM 0 HD11 LEU A 50 17.387 -6.096 -8.526 1.00 4.23 H new ATOM 0 HD12 LEU A 50 17.347 -7.741 -7.848 1.00 4.23 H new ATOM 0 HD13 LEU A 50 15.860 -6.764 -7.902 1.00 4.23 H new ATOM 0 HD21 LEU A 50 17.211 -4.131 -7.045 1.00 31.14 H new ATOM 0 HD22 LEU A 50 15.677 -4.721 -6.363 1.00 31.14 H new ATOM 0 HD23 LEU A 50 17.042 -4.340 -5.286 1.00 31.14 H new ATOM 762 N GLU A 51 16.491 -9.044 -3.091 1.00 3.45 N ATOM 763 CA GLU A 51 15.793 -9.977 -2.214 1.00 4.42 C ATOM 764 C GLU A 51 16.192 -9.756 -0.757 1.00 72.23 C ATOM 765 O GLU A 51 15.446 -10.100 0.159 1.00 23.52 O ATOM 766 CB GLU A 51 16.096 -11.420 -2.624 1.00 15.52 C ATOM 767 CG GLU A 51 17.550 -11.815 -2.433 1.00 1.24 C ATOM 768 CD GLU A 51 17.886 -13.138 -3.091 1.00 65.44 C ATOM 769 OE1 GLU A 51 17.618 -13.284 -4.302 1.00 62.31 O ATOM 770 OE2 GLU A 51 18.419 -14.029 -2.395 1.00 55.44 O ATOM 0 H GLU A 51 17.013 -9.486 -3.848 1.00 3.45 H new ATOM 0 HA GLU A 51 14.722 -9.796 -2.311 1.00 4.42 H new ATOM 0 HB2 GLU A 51 15.466 -12.094 -2.043 1.00 15.52 H new ATOM 0 HB3 GLU A 51 15.826 -11.555 -3.671 1.00 15.52 H new ATOM 0 HG2 GLU A 51 18.191 -11.036 -2.844 1.00 1.24 H new ATOM 0 HG3 GLU A 51 17.769 -11.878 -1.367 1.00 1.24 H new ATOM 777 N GLU A 52 17.373 -9.180 -0.553 1.00 74.54 N ATOM 778 CA GLU A 52 17.871 -8.916 0.791 1.00 15.43 C ATOM 779 C GLU A 52 17.336 -7.587 1.317 1.00 0.43 C ATOM 780 O GLU A 52 16.643 -7.544 2.333 1.00 54.31 O ATOM 781 CB GLU A 52 19.401 -8.901 0.799 1.00 75.40 C ATOM 782 CG GLU A 52 20.001 -8.784 2.190 1.00 62.43 C ATOM 783 CD GLU A 52 21.404 -8.209 2.173 1.00 60.11 C ATOM 784 OE1 GLU A 52 21.667 -7.313 1.344 1.00 51.41 O ATOM 785 OE2 GLU A 52 22.239 -8.655 2.988 1.00 54.23 O ATOM 0 H GLU A 52 18.002 -8.888 -1.301 1.00 74.54 H new ATOM 0 HA GLU A 52 17.520 -9.715 1.444 1.00 15.43 H new ATOM 0 HB2 GLU A 52 19.767 -9.814 0.330 1.00 75.40 H new ATOM 0 HB3 GLU A 52 19.751 -8.067 0.190 1.00 75.40 H new ATOM 0 HG2 GLU A 52 19.361 -8.152 2.806 1.00 62.43 H new ATOM 0 HG3 GLU A 52 20.021 -9.769 2.657 1.00 62.43 H new ATOM 792 N GLU A 53 17.665 -6.505 0.618 1.00 0.33 N ATOM 793 CA GLU A 53 17.219 -5.174 1.016 1.00 63.41 C ATOM 794 C GLU A 53 15.699 -5.067 0.946 1.00 53.43 C ATOM 795 O GLU A 53 15.033 -4.847 1.958 1.00 23.41 O ATOM 796 CB GLU A 53 17.859 -4.110 0.122 1.00 11.22 C ATOM 797 CG GLU A 53 19.174 -3.573 0.661 1.00 1.42 C ATOM 798 CD GLU A 53 19.048 -3.030 2.072 1.00 64.04 C ATOM 799 OE1 GLU A 53 18.006 -2.416 2.381 1.00 20.21 O ATOM 800 OE2 GLU A 53 19.993 -3.220 2.866 1.00 43.10 O ATOM 0 H GLU A 53 18.238 -6.524 -0.226 1.00 0.33 H new ATOM 0 HA GLU A 53 17.530 -5.007 2.047 1.00 63.41 H new ATOM 0 HB2 GLU A 53 18.028 -4.533 -0.868 1.00 11.22 H new ATOM 0 HB3 GLU A 53 17.161 -3.282 0.000 1.00 11.22 H new ATOM 0 HG2 GLU A 53 19.920 -4.368 0.647 1.00 1.42 H new ATOM 0 HG3 GLU A 53 19.537 -2.783 0.003 1.00 1.42 H new ATOM 807 N PHE A 54 15.155 -5.222 -0.257 1.00 44.51 N ATOM 808 CA PHE A 54 13.714 -5.140 -0.461 1.00 72.11 C ATOM 809 C PHE A 54 12.996 -6.271 0.270 1.00 24.11 C ATOM 810 O PHE A 54 11.782 -6.227 0.465 1.00 55.33 O ATOM 811 CB PHE A 54 13.385 -5.194 -1.954 1.00 53.44 C ATOM 812 CG PHE A 54 13.353 -3.843 -2.610 1.00 40.40 C ATOM 813 CD1 PHE A 54 12.185 -3.097 -2.635 1.00 23.32 C ATOM 814 CD2 PHE A 54 14.491 -3.318 -3.201 1.00 0.20 C ATOM 815 CE1 PHE A 54 12.153 -1.854 -3.238 1.00 63.31 C ATOM 816 CE2 PHE A 54 14.465 -2.075 -3.805 1.00 62.05 C ATOM 817 CZ PHE A 54 13.295 -1.342 -3.823 1.00 51.01 C ATOM 0 H PHE A 54 15.691 -5.405 -1.105 1.00 44.51 H new ATOM 0 HA PHE A 54 13.368 -4.190 -0.054 1.00 72.11 H new ATOM 0 HB2 PHE A 54 14.124 -5.817 -2.458 1.00 53.44 H new ATOM 0 HB3 PHE A 54 12.417 -5.677 -2.087 1.00 53.44 H new ATOM 0 HD1 PHE A 54 11.290 -3.492 -2.178 1.00 23.32 H new ATOM 0 HD2 PHE A 54 15.409 -3.887 -3.190 1.00 0.20 H new ATOM 0 HE1 PHE A 54 11.236 -1.283 -3.252 1.00 63.31 H new ATOM 0 HE2 PHE A 54 15.359 -1.678 -4.262 1.00 62.05 H new ATOM 0 HZ PHE A 54 13.273 -0.370 -4.294 1.00 51.01 H new ATOM 827 N ASP A 55 13.757 -7.283 0.672 1.00 72.50 N ATOM 828 CA ASP A 55 13.195 -8.427 1.382 1.00 1.32 C ATOM 829 C ASP A 55 12.178 -9.160 0.513 1.00 10.13 C ATOM 830 O ASP A 55 11.087 -9.504 0.970 1.00 2.43 O ATOM 831 CB ASP A 55 12.537 -7.971 2.686 1.00 71.35 C ATOM 832 CG ASP A 55 13.418 -7.028 3.481 1.00 65.43 C ATOM 833 OD1 ASP A 55 14.395 -7.506 4.097 1.00 54.15 O ATOM 834 OD2 ASP A 55 13.133 -5.813 3.486 1.00 12.04 O ATOM 0 H ASP A 55 14.764 -7.335 0.519 1.00 72.50 H new ATOM 0 HA ASP A 55 14.008 -9.114 1.615 1.00 1.32 H new ATOM 0 HB2 ASP A 55 11.593 -7.476 2.459 1.00 71.35 H new ATOM 0 HB3 ASP A 55 12.302 -8.844 3.295 1.00 71.35 H new ATOM 839 N THR A 56 12.542 -9.396 -0.743 1.00 73.15 N ATOM 840 CA THR A 56 11.661 -10.086 -1.677 1.00 72.22 C ATOM 841 C THR A 56 12.124 -11.519 -1.913 1.00 60.15 C ATOM 842 O THR A 56 13.242 -11.887 -1.553 1.00 14.41 O ATOM 843 CB THR A 56 11.590 -9.352 -3.030 1.00 32.14 C ATOM 844 OG1 THR A 56 12.910 -9.039 -3.487 1.00 1.32 O ATOM 845 CG2 THR A 56 10.773 -8.075 -2.910 1.00 13.54 C ATOM 0 H THR A 56 13.441 -9.119 -1.137 1.00 73.15 H new ATOM 0 HA THR A 56 10.669 -10.097 -1.226 1.00 72.22 H new ATOM 0 HB THR A 56 11.103 -10.009 -3.750 1.00 32.14 H new ATOM 0 HG1 THR A 56 12.856 -8.574 -4.348 1.00 1.32 H new ATOM 0 HG21 THR A 56 10.737 -7.574 -3.877 1.00 13.54 H new ATOM 0 HG22 THR A 56 9.760 -8.320 -2.590 1.00 13.54 H new ATOM 0 HG23 THR A 56 11.236 -7.415 -2.176 1.00 13.54 H new ATOM 853 N GLU A 57 11.258 -12.324 -2.522 1.00 11.52 N ATOM 854 CA GLU A 57 11.580 -13.717 -2.806 1.00 21.14 C ATOM 855 C GLU A 57 12.068 -13.881 -4.242 1.00 72.03 C ATOM 856 O GLU A 57 11.292 -14.217 -5.137 1.00 61.55 O ATOM 857 CB GLU A 57 10.358 -14.605 -2.566 1.00 34.41 C ATOM 858 CG GLU A 57 9.884 -14.612 -1.122 1.00 54.13 C ATOM 859 CD GLU A 57 8.581 -15.366 -0.939 1.00 71.24 C ATOM 860 OE1 GLU A 57 7.723 -15.298 -1.844 1.00 62.44 O ATOM 861 OE2 GLU A 57 8.420 -16.025 0.109 1.00 13.25 O ATOM 0 H GLU A 57 10.329 -12.035 -2.828 1.00 11.52 H new ATOM 0 HA GLU A 57 12.380 -14.023 -2.132 1.00 21.14 H new ATOM 0 HB2 GLU A 57 9.543 -14.267 -3.205 1.00 34.41 H new ATOM 0 HB3 GLU A 57 10.596 -15.625 -2.866 1.00 34.41 H new ATOM 0 HG2 GLU A 57 10.652 -15.063 -0.494 1.00 54.13 H new ATOM 0 HG3 GLU A 57 9.756 -13.585 -0.781 1.00 54.13 H new ATOM 868 N ILE A 58 13.357 -13.640 -4.454 1.00 63.41 N ATOM 869 CA ILE A 58 13.949 -13.762 -5.781 1.00 14.31 C ATOM 870 C ILE A 58 14.882 -14.965 -5.859 1.00 1.12 C ATOM 871 O ILE A 58 16.100 -14.847 -5.721 1.00 71.12 O ATOM 872 CB ILE A 58 14.732 -12.493 -6.166 1.00 54.24 C ATOM 873 CG1 ILE A 58 13.819 -11.266 -6.106 1.00 3.02 C ATOM 874 CG2 ILE A 58 15.334 -12.644 -7.555 1.00 51.43 C ATOM 875 CD1 ILE A 58 12.596 -11.379 -6.988 1.00 14.22 C ATOM 0 H ILE A 58 14.012 -13.359 -3.724 1.00 63.41 H new ATOM 0 HA ILE A 58 13.126 -13.899 -6.482 1.00 14.31 H new ATOM 0 HB ILE A 58 15.544 -12.354 -5.452 1.00 54.24 H new ATOM 0 HG12 ILE A 58 13.500 -11.110 -5.075 1.00 3.02 H new ATOM 0 HG13 ILE A 58 14.389 -10.385 -6.400 1.00 3.02 H new ATOM 0 HG21 ILE A 58 15.884 -11.739 -7.813 1.00 51.43 H new ATOM 0 HG22 ILE A 58 16.012 -13.497 -7.567 1.00 51.43 H new ATOM 0 HG23 ILE A 58 14.537 -12.804 -8.281 1.00 51.43 H new ATOM 0 HD11 ILE A 58 11.995 -10.474 -6.895 1.00 14.22 H new ATOM 0 HD12 ILE A 58 12.906 -11.504 -8.026 1.00 14.22 H new ATOM 0 HD13 ILE A 58 12.004 -12.241 -6.680 1.00 14.22 H new ATOM 887 N PRO A 59 14.300 -16.152 -6.087 1.00 10.45 N ATOM 888 CA PRO A 59 15.062 -17.400 -6.191 1.00 15.14 C ATOM 889 C PRO A 59 15.905 -17.460 -7.459 1.00 64.12 C ATOM 890 O PRO A 59 15.853 -16.557 -8.294 1.00 41.03 O ATOM 891 CB PRO A 59 13.974 -18.477 -6.220 1.00 25.21 C ATOM 892 CG PRO A 59 12.769 -17.784 -6.754 1.00 34.22 C ATOM 893 CD PRO A 59 12.854 -16.366 -6.261 1.00 34.25 C ATOM 0 HA PRO A 59 15.773 -17.514 -5.372 1.00 15.14 H new ATOM 0 HB2 PRO A 59 14.263 -19.314 -6.855 1.00 25.21 H new ATOM 0 HB3 PRO A 59 13.790 -18.881 -5.224 1.00 25.21 H new ATOM 0 HG2 PRO A 59 12.750 -17.818 -7.843 1.00 34.22 H new ATOM 0 HG3 PRO A 59 11.855 -18.265 -6.404 1.00 34.22 H new ATOM 0 HD2 PRO A 59 12.427 -15.665 -6.978 1.00 34.25 H new ATOM 0 HD3 PRO A 59 12.312 -16.233 -5.324 1.00 34.25 H new ATOM 901 N ASP A 60 16.682 -18.529 -7.597 1.00 72.04 N ATOM 902 CA ASP A 60 17.536 -18.708 -8.766 1.00 2.43 C ATOM 903 C ASP A 60 16.719 -18.641 -10.052 1.00 33.30 C ATOM 904 O ASP A 60 17.134 -18.022 -11.031 1.00 12.44 O ATOM 905 CB ASP A 60 18.275 -20.045 -8.684 1.00 53.55 C ATOM 906 CG ASP A 60 19.483 -19.984 -7.770 1.00 73.04 C ATOM 907 OD1 ASP A 60 19.301 -20.087 -6.539 1.00 1.31 O ATOM 908 OD2 ASP A 60 20.610 -19.835 -8.287 1.00 12.14 O ATOM 0 H ASP A 60 16.738 -19.285 -6.914 1.00 72.04 H new ATOM 0 HA ASP A 60 18.266 -17.899 -8.779 1.00 2.43 H new ATOM 0 HB2 ASP A 60 17.590 -20.814 -8.326 1.00 53.55 H new ATOM 0 HB3 ASP A 60 18.594 -20.343 -9.683 1.00 53.55 H new ATOM 913 N GLU A 61 15.556 -19.285 -10.042 1.00 34.01 N ATOM 914 CA GLU A 61 14.681 -19.300 -11.209 1.00 25.11 C ATOM 915 C GLU A 61 14.336 -17.880 -11.648 1.00 72.11 C ATOM 916 O GLU A 61 14.582 -17.496 -12.791 1.00 23.12 O ATOM 917 CB GLU A 61 13.399 -20.078 -10.904 1.00 5.44 C ATOM 918 CG GLU A 61 13.641 -21.536 -10.551 1.00 43.33 C ATOM 919 CD GLU A 61 13.789 -22.415 -11.777 1.00 61.45 C ATOM 920 OE1 GLU A 61 14.271 -21.911 -12.814 1.00 33.42 O ATOM 921 OE2 GLU A 61 13.423 -23.607 -11.701 1.00 42.22 O ATOM 0 H GLU A 61 15.198 -19.803 -9.239 1.00 34.01 H new ATOM 0 HA GLU A 61 15.212 -19.795 -12.023 1.00 25.11 H new ATOM 0 HB2 GLU A 61 12.879 -19.594 -10.077 1.00 5.44 H new ATOM 0 HB3 GLU A 61 12.739 -20.027 -11.770 1.00 5.44 H new ATOM 0 HG2 GLU A 61 14.541 -21.614 -9.942 1.00 43.33 H new ATOM 0 HG3 GLU A 61 12.813 -21.902 -9.944 1.00 43.33 H new ATOM 928 N GLU A 62 13.763 -17.106 -10.731 1.00 72.44 N ATOM 929 CA GLU A 62 13.382 -15.730 -11.025 1.00 12.33 C ATOM 930 C GLU A 62 14.607 -14.821 -11.055 1.00 43.13 C ATOM 931 O GLU A 62 14.508 -13.638 -11.381 1.00 20.25 O ATOM 932 CB GLU A 62 12.382 -15.221 -9.984 1.00 71.12 C ATOM 933 CG GLU A 62 10.943 -15.606 -10.284 1.00 11.20 C ATOM 934 CD GLU A 62 10.000 -15.271 -9.145 1.00 10.24 C ATOM 935 OE1 GLU A 62 10.387 -15.472 -7.975 1.00 21.23 O ATOM 936 OE2 GLU A 62 8.875 -14.807 -9.424 1.00 15.23 O ATOM 0 H GLU A 62 13.553 -17.408 -9.780 1.00 72.44 H new ATOM 0 HA GLU A 62 12.913 -15.712 -12.009 1.00 12.33 H new ATOM 0 HB2 GLU A 62 12.658 -15.613 -9.005 1.00 71.12 H new ATOM 0 HB3 GLU A 62 12.454 -14.135 -9.924 1.00 71.12 H new ATOM 0 HG2 GLU A 62 10.614 -15.091 -11.187 1.00 11.20 H new ATOM 0 HG3 GLU A 62 10.892 -16.675 -10.490 1.00 11.20 H new ATOM 943 N ALA A 63 15.762 -15.383 -10.713 1.00 41.25 N ATOM 944 CA ALA A 63 17.007 -14.625 -10.703 1.00 0.21 C ATOM 945 C ALA A 63 17.639 -14.588 -12.090 1.00 62.01 C ATOM 946 O ALA A 63 18.258 -13.596 -12.473 1.00 60.05 O ATOM 947 CB ALA A 63 17.978 -15.219 -9.694 1.00 23.13 C ATOM 0 H ALA A 63 15.861 -16.361 -10.439 1.00 41.25 H new ATOM 0 HA ALA A 63 16.777 -13.600 -10.410 1.00 0.21 H new ATOM 0 HB1 ALA A 63 18.903 -14.643 -9.697 1.00 23.13 H new ATOM 0 HB2 ALA A 63 17.534 -15.187 -8.699 1.00 23.13 H new ATOM 0 HB3 ALA A 63 18.193 -16.253 -9.962 1.00 23.13 H new ATOM 953 N GLU A 64 17.480 -15.676 -12.837 1.00 55.03 N ATOM 954 CA GLU A 64 18.037 -15.767 -14.182 1.00 31.14 C ATOM 955 C GLU A 64 17.283 -14.856 -15.146 1.00 74.42 C ATOM 956 O GLU A 64 17.844 -14.372 -16.129 1.00 23.10 O ATOM 957 CB GLU A 64 17.986 -17.212 -14.682 1.00 31.20 C ATOM 958 CG GLU A 64 18.926 -18.147 -13.940 1.00 0.14 C ATOM 959 CD GLU A 64 19.096 -19.481 -14.640 1.00 52.12 C ATOM 960 OE1 GLU A 64 18.803 -19.555 -15.852 1.00 61.31 O ATOM 961 OE2 GLU A 64 19.521 -20.450 -13.977 1.00 72.04 O ATOM 0 H GLU A 64 16.971 -16.506 -12.534 1.00 55.03 H new ATOM 0 HA GLU A 64 19.076 -15.441 -14.140 1.00 31.14 H new ATOM 0 HB2 GLU A 64 16.966 -17.585 -14.586 1.00 31.20 H new ATOM 0 HB3 GLU A 64 18.233 -17.229 -15.743 1.00 31.20 H new ATOM 0 HG2 GLU A 64 19.900 -17.669 -13.836 1.00 0.14 H new ATOM 0 HG3 GLU A 64 18.544 -18.316 -12.933 1.00 0.14 H new ATOM 968 N LYS A 65 16.006 -14.628 -14.859 1.00 13.05 N ATOM 969 CA LYS A 65 15.172 -13.776 -15.698 1.00 44.52 C ATOM 970 C LYS A 65 15.376 -12.304 -15.351 1.00 72.21 C ATOM 971 O LYS A 65 15.325 -11.438 -16.225 1.00 34.11 O ATOM 972 CB LYS A 65 13.697 -14.150 -15.536 1.00 4.35 C ATOM 973 CG LYS A 65 13.087 -13.665 -14.232 1.00 22.12 C ATOM 974 CD LYS A 65 11.606 -13.993 -14.154 1.00 34.13 C ATOM 975 CE LYS A 65 11.361 -15.492 -14.243 1.00 50.42 C ATOM 976 NZ LYS A 65 10.151 -15.903 -13.478 1.00 43.22 N ATOM 0 H LYS A 65 15.525 -15.022 -14.050 1.00 13.05 H new ATOM 0 HA LYS A 65 15.467 -13.931 -16.736 1.00 44.52 H new ATOM 0 HB2 LYS A 65 13.131 -13.733 -16.369 1.00 4.35 H new ATOM 0 HB3 LYS A 65 13.597 -15.234 -15.593 1.00 4.35 H new ATOM 0 HG2 LYS A 65 13.607 -14.126 -13.392 1.00 22.12 H new ATOM 0 HG3 LYS A 65 13.227 -12.588 -14.142 1.00 22.12 H new ATOM 0 HD2 LYS A 65 11.197 -13.611 -13.219 1.00 34.13 H new ATOM 0 HD3 LYS A 65 11.077 -13.488 -14.963 1.00 34.13 H new ATOM 0 HE2 LYS A 65 11.245 -15.780 -15.288 1.00 50.42 H new ATOM 0 HE3 LYS A 65 12.231 -16.025 -13.860 1.00 50.42 H new ATOM 0 HZ1 LYS A 65 10.426 -16.558 -12.718 1.00 43.22 H new ATOM 0 HZ2 LYS A 65 9.700 -15.062 -13.064 1.00 43.22 H new ATOM 0 HZ3 LYS A 65 9.481 -16.376 -14.117 1.00 43.22 H new ATOM 990 N ILE A 66 15.608 -12.029 -14.072 1.00 34.40 N ATOM 991 CA ILE A 66 15.821 -10.663 -13.611 1.00 62.13 C ATOM 992 C ILE A 66 17.304 -10.306 -13.618 1.00 73.05 C ATOM 993 O ILE A 66 17.969 -10.346 -12.583 1.00 10.42 O ATOM 994 CB ILE A 66 15.261 -10.453 -12.192 1.00 61.50 C ATOM 995 CG1 ILE A 66 13.760 -10.750 -12.164 1.00 3.44 C ATOM 996 CG2 ILE A 66 15.536 -9.034 -11.719 1.00 15.13 C ATOM 997 CD1 ILE A 66 12.964 -9.928 -13.153 1.00 35.31 C ATOM 0 H ILE A 66 15.653 -12.734 -13.337 1.00 34.40 H new ATOM 0 HA ILE A 66 15.289 -10.010 -14.303 1.00 62.13 H new ATOM 0 HB ILE A 66 15.761 -11.144 -11.513 1.00 61.50 H new ATOM 0 HG12 ILE A 66 13.603 -11.808 -12.374 1.00 3.44 H new ATOM 0 HG13 ILE A 66 13.380 -10.564 -11.160 1.00 3.44 H new ATOM 0 HG21 ILE A 66 15.134 -8.901 -10.715 1.00 15.13 H new ATOM 0 HG22 ILE A 66 16.611 -8.857 -11.706 1.00 15.13 H new ATOM 0 HG23 ILE A 66 15.060 -8.326 -12.397 1.00 15.13 H new ATOM 0 HD11 ILE A 66 11.909 -10.191 -13.078 1.00 35.31 H new ATOM 0 HD12 ILE A 66 13.091 -8.868 -12.931 1.00 35.31 H new ATOM 0 HD13 ILE A 66 13.318 -10.132 -14.164 1.00 35.31 H new ATOM 1009 N THR A 67 17.817 -9.955 -14.794 1.00 33.13 N ATOM 1010 CA THR A 67 19.220 -9.590 -14.937 1.00 4.14 C ATOM 1011 C THR A 67 19.369 -8.229 -15.606 1.00 51.44 C ATOM 1012 O THR A 67 20.433 -7.894 -16.129 1.00 31.31 O ATOM 1013 CB THR A 67 19.993 -10.640 -15.757 1.00 4.04 C ATOM 1014 OG1 THR A 67 19.506 -10.666 -17.103 1.00 20.23 O ATOM 1015 CG2 THR A 67 19.855 -12.021 -15.135 1.00 31.33 C ATOM 0 H THR A 67 17.281 -9.916 -15.661 1.00 33.13 H new ATOM 0 HA THR A 67 19.639 -9.545 -13.932 1.00 4.14 H new ATOM 0 HB THR A 67 21.047 -10.364 -15.758 1.00 4.04 H new ATOM 0 HG1 THR A 67 20.004 -11.335 -17.618 1.00 20.23 H new ATOM 0 HG21 THR A 67 20.409 -12.746 -15.731 1.00 31.33 H new ATOM 0 HG22 THR A 67 20.254 -12.005 -14.121 1.00 31.33 H new ATOM 0 HG23 THR A 67 18.803 -12.304 -15.106 1.00 31.33 H new ATOM 1023 N THR A 68 18.295 -7.445 -15.588 1.00 4.43 N ATOM 1024 CA THR A 68 18.306 -6.119 -16.194 1.00 23.22 C ATOM 1025 C THR A 68 17.540 -5.117 -15.338 1.00 3.01 C ATOM 1026 O THR A 68 16.703 -5.497 -14.519 1.00 52.42 O ATOM 1027 CB THR A 68 17.695 -6.143 -17.607 1.00 50.14 C ATOM 1028 OG1 THR A 68 16.273 -6.286 -17.524 1.00 33.32 O ATOM 1029 CG2 THR A 68 18.277 -7.283 -18.430 1.00 3.52 C ATOM 0 H THR A 68 17.407 -7.706 -15.160 1.00 4.43 H new ATOM 0 HA THR A 68 19.349 -5.811 -16.262 1.00 23.22 H new ATOM 0 HB THR A 68 17.937 -5.201 -18.099 1.00 50.14 H new ATOM 0 HG1 THR A 68 15.892 -6.299 -18.427 1.00 33.32 H new ATOM 0 HG21 THR A 68 17.830 -7.279 -19.424 1.00 3.52 H new ATOM 0 HG22 THR A 68 19.356 -7.155 -18.517 1.00 3.52 H new ATOM 0 HG23 THR A 68 18.063 -8.232 -17.939 1.00 3.52 H new ATOM 1037 N VAL A 69 17.832 -3.835 -15.533 1.00 13.33 N ATOM 1038 CA VAL A 69 17.169 -2.777 -14.780 1.00 35.05 C ATOM 1039 C VAL A 69 15.653 -2.875 -14.912 1.00 70.14 C ATOM 1040 O VAL A 69 14.944 -3.053 -13.922 1.00 41.13 O ATOM 1041 CB VAL A 69 17.625 -1.383 -15.249 1.00 51.11 C ATOM 1042 CG1 VAL A 69 17.045 -0.301 -14.351 1.00 51.43 C ATOM 1043 CG2 VAL A 69 19.144 -1.303 -15.282 1.00 14.23 C ATOM 0 H VAL A 69 18.523 -3.504 -16.206 1.00 13.33 H new ATOM 0 HA VAL A 69 17.449 -2.910 -13.735 1.00 35.05 H new ATOM 0 HB VAL A 69 17.253 -1.219 -16.260 1.00 51.11 H new ATOM 0 HG11 VAL A 69 17.378 0.677 -14.698 1.00 51.43 H new ATOM 0 HG12 VAL A 69 15.956 -0.346 -14.384 1.00 51.43 H new ATOM 0 HG13 VAL A 69 17.384 -0.458 -13.327 1.00 51.43 H new ATOM 0 HG21 VAL A 69 19.449 -0.311 -15.616 1.00 14.23 H new ATOM 0 HG22 VAL A 69 19.540 -1.488 -14.283 1.00 14.23 H new ATOM 0 HG23 VAL A 69 19.533 -2.053 -15.971 1.00 14.23 H new ATOM 1053 N GLN A 70 15.164 -2.758 -16.143 1.00 35.54 N ATOM 1054 CA GLN A 70 13.731 -2.834 -16.405 1.00 1.04 C ATOM 1055 C GLN A 70 13.129 -4.089 -15.781 1.00 0.32 C ATOM 1056 O GLN A 70 12.040 -4.048 -15.209 1.00 61.01 O ATOM 1057 CB GLN A 70 13.465 -2.821 -17.911 1.00 25.10 C ATOM 1058 CG GLN A 70 12.020 -3.118 -18.276 1.00 62.44 C ATOM 1059 CD GLN A 70 11.032 -2.409 -17.372 1.00 33.32 C ATOM 1060 OE1 GLN A 70 10.056 -3.004 -16.913 1.00 12.53 O ATOM 1061 NE2 GLN A 70 11.280 -1.131 -17.110 1.00 73.32 N ATOM 0 H GLN A 70 15.738 -2.610 -16.973 1.00 35.54 H new ATOM 0 HA GLN A 70 13.258 -1.963 -15.952 1.00 1.04 H new ATOM 0 HB2 GLN A 70 13.739 -1.845 -18.311 1.00 25.10 H new ATOM 0 HB3 GLN A 70 14.111 -3.556 -18.392 1.00 25.10 H new ATOM 0 HG2 GLN A 70 11.841 -2.818 -19.309 1.00 62.44 H new ATOM 0 HG3 GLN A 70 11.849 -4.193 -18.222 1.00 62.44 H new ATOM 0 HE21 GLN A 70 12.101 -0.678 -17.512 1.00 73.32 H new ATOM 0 HE22 GLN A 70 10.650 -0.602 -16.507 1.00 73.32 H new ATOM 1070 N ALA A 71 13.845 -5.202 -15.895 1.00 70.54 N ATOM 1071 CA ALA A 71 13.382 -6.469 -15.341 1.00 51.42 C ATOM 1072 C ALA A 71 13.263 -6.393 -13.823 1.00 3.32 C ATOM 1073 O ALA A 71 12.264 -6.821 -13.247 1.00 32.13 O ATOM 1074 CB ALA A 71 14.321 -7.596 -15.743 1.00 44.24 C ATOM 0 H ALA A 71 14.748 -5.253 -16.366 1.00 70.54 H new ATOM 0 HA ALA A 71 12.392 -6.674 -15.747 1.00 51.42 H new ATOM 0 HB1 ALA A 71 13.963 -8.536 -15.322 1.00 44.24 H new ATOM 0 HB2 ALA A 71 14.352 -7.673 -16.830 1.00 44.24 H new ATOM 0 HB3 ALA A 71 15.322 -7.388 -15.365 1.00 44.24 H new ATOM 1080 N ALA A 72 14.290 -5.846 -13.180 1.00 50.54 N ATOM 1081 CA ALA A 72 14.300 -5.713 -11.729 1.00 13.41 C ATOM 1082 C ALA A 72 13.224 -4.739 -11.260 1.00 11.04 C ATOM 1083 O ALA A 72 12.356 -5.096 -10.463 1.00 13.13 O ATOM 1084 CB ALA A 72 15.671 -5.259 -11.250 1.00 15.44 C ATOM 0 H ALA A 72 15.126 -5.488 -13.642 1.00 50.54 H new ATOM 0 HA ALA A 72 14.082 -6.690 -11.298 1.00 13.41 H new ATOM 0 HB1 ALA A 72 15.664 -5.164 -10.164 1.00 15.44 H new ATOM 0 HB2 ALA A 72 16.421 -5.993 -11.545 1.00 15.44 H new ATOM 0 HB3 ALA A 72 15.912 -4.295 -11.697 1.00 15.44 H new ATOM 1090 N ILE A 73 13.288 -3.509 -11.758 1.00 11.13 N ATOM 1091 CA ILE A 73 12.319 -2.485 -11.389 1.00 54.40 C ATOM 1092 C ILE A 73 10.891 -2.972 -11.615 1.00 43.41 C ATOM 1093 O ILE A 73 9.974 -2.599 -10.883 1.00 41.35 O ATOM 1094 CB ILE A 73 12.539 -1.187 -12.189 1.00 0.03 C ATOM 1095 CG1 ILE A 73 11.686 -0.055 -11.612 1.00 74.51 C ATOM 1096 CG2 ILE A 73 12.212 -1.408 -13.658 1.00 61.30 C ATOM 1097 CD1 ILE A 73 12.416 0.795 -10.597 1.00 2.13 C ATOM 0 H ILE A 73 14.001 -3.197 -12.418 1.00 11.13 H new ATOM 0 HA ILE A 73 12.467 -2.279 -10.329 1.00 54.40 H new ATOM 0 HB ILE A 73 13.588 -0.902 -12.109 1.00 0.03 H new ATOM 0 HG12 ILE A 73 11.343 0.582 -12.427 1.00 74.51 H new ATOM 0 HG13 ILE A 73 10.798 -0.482 -11.145 1.00 74.51 H new ATOM 0 HG21 ILE A 73 12.372 -0.482 -14.210 1.00 61.30 H new ATOM 0 HG22 ILE A 73 12.859 -2.187 -14.061 1.00 61.30 H new ATOM 0 HG23 ILE A 73 11.170 -1.713 -13.757 1.00 61.30 H new ATOM 0 HD11 ILE A 73 11.750 1.577 -10.231 1.00 2.13 H new ATOM 0 HD12 ILE A 73 12.736 0.171 -9.763 1.00 2.13 H new ATOM 0 HD13 ILE A 73 13.289 1.251 -11.065 1.00 2.13 H new ATOM 1109 N ASP A 74 10.712 -3.808 -12.632 1.00 14.34 N ATOM 1110 CA ASP A 74 9.396 -4.349 -12.953 1.00 21.01 C ATOM 1111 C ASP A 74 8.938 -5.335 -11.883 1.00 20.01 C ATOM 1112 O ASP A 74 7.827 -5.231 -11.363 1.00 53.31 O ATOM 1113 CB ASP A 74 9.424 -5.036 -14.319 1.00 73.21 C ATOM 1114 CG ASP A 74 8.057 -5.537 -14.743 1.00 51.30 C ATOM 1115 OD1 ASP A 74 7.048 -4.915 -14.348 1.00 41.34 O ATOM 1116 OD2 ASP A 74 7.996 -6.550 -15.470 1.00 51.12 O ATOM 0 H ASP A 74 11.461 -4.126 -13.248 1.00 14.34 H new ATOM 0 HA ASP A 74 8.688 -3.521 -12.985 1.00 21.01 H new ATOM 0 HB2 ASP A 74 9.800 -4.337 -15.066 1.00 73.21 H new ATOM 0 HB3 ASP A 74 10.121 -5.873 -14.287 1.00 73.21 H new ATOM 1121 N TYR A 75 9.801 -6.292 -11.559 1.00 53.14 N ATOM 1122 CA TYR A 75 9.483 -7.299 -10.554 1.00 4.01 C ATOM 1123 C TYR A 75 9.053 -6.645 -9.244 1.00 43.24 C ATOM 1124 O TYR A 75 7.939 -6.858 -8.767 1.00 20.54 O ATOM 1125 CB TYR A 75 10.691 -8.206 -10.311 1.00 41.23 C ATOM 1126 CG TYR A 75 10.349 -9.491 -9.591 1.00 53.43 C ATOM 1127 CD1 TYR A 75 9.868 -9.472 -8.288 1.00 23.35 C ATOM 1128 CD2 TYR A 75 10.506 -10.722 -10.214 1.00 63.50 C ATOM 1129 CE1 TYR A 75 9.555 -10.644 -7.625 1.00 53.44 C ATOM 1130 CE2 TYR A 75 10.194 -11.899 -9.560 1.00 51.52 C ATOM 1131 CZ TYR A 75 9.719 -11.854 -8.266 1.00 52.00 C ATOM 1132 OH TYR A 75 9.408 -13.023 -7.611 1.00 32.42 O ATOM 0 H TYR A 75 10.726 -6.391 -11.978 1.00 53.14 H new ATOM 0 HA TYR A 75 8.654 -7.900 -10.928 1.00 4.01 H new ATOM 0 HB2 TYR A 75 11.152 -8.448 -11.269 1.00 41.23 H new ATOM 0 HB3 TYR A 75 11.433 -7.660 -9.729 1.00 41.23 H new ATOM 0 HD1 TYR A 75 9.736 -8.526 -7.784 1.00 23.35 H new ATOM 0 HD2 TYR A 75 10.878 -10.760 -11.227 1.00 63.50 H new ATOM 0 HE1 TYR A 75 9.184 -10.612 -6.611 1.00 53.44 H new ATOM 0 HE2 TYR A 75 10.321 -12.848 -10.059 1.00 51.52 H new ATOM 0 HH TYR A 75 8.482 -12.984 -7.294 1.00 32.42 H new ATOM 1142 N VAL A 76 9.946 -5.845 -8.669 1.00 32.43 N ATOM 1143 CA VAL A 76 9.660 -5.158 -7.415 1.00 52.54 C ATOM 1144 C VAL A 76 8.383 -4.331 -7.521 1.00 42.11 C ATOM 1145 O VAL A 76 7.507 -4.411 -6.661 1.00 41.23 O ATOM 1146 CB VAL A 76 10.823 -4.235 -7.003 1.00 72.52 C ATOM 1147 CG1 VAL A 76 10.575 -3.648 -5.622 1.00 51.13 C ATOM 1148 CG2 VAL A 76 12.142 -4.993 -7.041 1.00 15.25 C ATOM 0 H VAL A 76 10.873 -5.657 -9.051 1.00 32.43 H new ATOM 0 HA VAL A 76 9.530 -5.928 -6.654 1.00 52.54 H new ATOM 0 HB VAL A 76 10.882 -3.412 -7.715 1.00 72.52 H new ATOM 0 HG11 VAL A 76 11.407 -2.999 -5.348 1.00 51.13 H new ATOM 0 HG12 VAL A 76 9.651 -3.069 -5.633 1.00 51.13 H new ATOM 0 HG13 VAL A 76 10.489 -4.455 -4.894 1.00 51.13 H new ATOM 0 HG21 VAL A 76 12.953 -4.327 -6.747 1.00 15.25 H new ATOM 0 HG22 VAL A 76 12.097 -5.836 -6.351 1.00 15.25 H new ATOM 0 HG23 VAL A 76 12.322 -5.360 -8.051 1.00 15.25 H new ATOM 1158 N ASN A 77 8.285 -3.537 -8.582 1.00 41.24 N ATOM 1159 CA ASN A 77 7.115 -2.694 -8.801 1.00 71.52 C ATOM 1160 C ASN A 77 5.850 -3.540 -8.919 1.00 3.04 C ATOM 1161 O ASN A 77 4.749 -3.071 -8.631 1.00 21.55 O ATOM 1162 CB ASN A 77 7.297 -1.851 -10.065 1.00 11.14 C ATOM 1163 CG ASN A 77 6.206 -0.810 -10.226 1.00 44.55 C ATOM 1164 OD1 ASN A 77 5.034 -1.144 -10.395 1.00 54.21 O ATOM 1165 ND2 ASN A 77 6.590 0.461 -10.176 1.00 74.01 N ATOM 0 H ASN A 77 9.002 -3.460 -9.304 1.00 41.24 H new ATOM 0 HA ASN A 77 7.010 -2.031 -7.942 1.00 71.52 H new ATOM 0 HB2 ASN A 77 8.267 -1.355 -10.031 1.00 11.14 H new ATOM 0 HB3 ASN A 77 7.303 -2.505 -10.937 1.00 11.14 H new ATOM 0 HD21 ASN A 77 5.901 1.206 -10.280 1.00 74.01 H new ATOM 0 HD22 ASN A 77 7.573 0.691 -10.034 1.00 74.01 H new ATOM 1172 N SER A 78 6.017 -4.788 -9.343 1.00 61.50 N ATOM 1173 CA SER A 78 4.889 -5.699 -9.502 1.00 2.03 C ATOM 1174 C SER A 78 4.576 -6.410 -8.189 1.00 13.45 C ATOM 1175 O SER A 78 3.434 -6.797 -7.936 1.00 4.33 O ATOM 1176 CB SER A 78 5.187 -6.729 -10.593 1.00 43.43 C ATOM 1177 OG SER A 78 5.912 -7.829 -10.072 1.00 72.30 O ATOM 0 H SER A 78 6.922 -5.192 -9.583 1.00 61.50 H new ATOM 0 HA SER A 78 4.019 -5.112 -9.795 1.00 2.03 H new ATOM 0 HB2 SER A 78 4.253 -7.080 -11.031 1.00 43.43 H new ATOM 0 HB3 SER A 78 5.758 -6.260 -11.394 1.00 43.43 H new ATOM 0 HG SER A 78 6.835 -7.555 -9.888 1.00 72.30 H new ATOM 1183 N HIS A 79 5.598 -6.578 -7.355 1.00 52.23 N ATOM 1184 CA HIS A 79 5.433 -7.241 -6.067 1.00 34.31 C ATOM 1185 C HIS A 79 5.286 -6.219 -4.944 1.00 53.11 C ATOM 1186 O HIS A 79 6.115 -6.158 -4.037 1.00 14.54 O ATOM 1187 CB HIS A 79 6.623 -8.158 -5.785 1.00 44.02 C ATOM 1188 CG HIS A 79 6.570 -9.455 -6.532 1.00 25.32 C ATOM 1189 ND1 HIS A 79 6.444 -9.530 -7.903 1.00 2.11 N ATOM 1190 CD2 HIS A 79 6.629 -10.734 -6.091 1.00 3.43 C ATOM 1191 CE1 HIS A 79 6.426 -10.798 -8.273 1.00 32.03 C ATOM 1192 NE2 HIS A 79 6.537 -11.549 -7.192 1.00 1.11 N ATOM 0 H HIS A 79 6.549 -6.264 -7.549 1.00 52.23 H new ATOM 0 HA HIS A 79 4.524 -7.841 -6.110 1.00 34.31 H new ATOM 0 HB2 HIS A 79 7.543 -7.636 -6.046 1.00 44.02 H new ATOM 0 HB3 HIS A 79 6.666 -8.365 -4.716 1.00 44.02 H new ATOM 0 HD1 HIS A 79 6.375 -8.731 -8.533 1.00 2.11 H new ATOM 0 HD2 HIS A 79 6.730 -11.053 -5.064 1.00 3.43 H new ATOM 0 HE1 HIS A 79 6.336 -11.159 -9.287 1.00 32.03 H new ATOM 1200 N GLN A 80 4.227 -5.419 -5.014 1.00 13.33 N ATOM 1201 CA GLN A 80 3.973 -4.398 -4.003 1.00 62.35 C ATOM 1202 C GLN A 80 2.747 -4.752 -3.168 1.00 50.24 C ATOM 1203 O GLN A 80 2.333 -3.985 -2.298 1.00 51.45 O ATOM 1204 CB GLN A 80 3.778 -3.033 -4.665 1.00 41.00 C ATOM 1205 CG GLN A 80 2.871 -3.072 -5.884 1.00 51.22 C ATOM 1206 CD GLN A 80 2.535 -1.689 -6.406 1.00 12.42 C ATOM 1207 OE1 GLN A 80 1.369 -1.293 -6.443 1.00 44.11 O ATOM 1208 NE2 GLN A 80 3.557 -0.944 -6.812 1.00 73.32 N ATOM 0 H GLN A 80 3.531 -5.458 -5.759 1.00 13.33 H new ATOM 0 HA GLN A 80 4.839 -4.353 -3.342 1.00 62.35 H new ATOM 0 HB2 GLN A 80 3.361 -2.340 -3.934 1.00 41.00 H new ATOM 0 HB3 GLN A 80 4.751 -2.639 -4.959 1.00 41.00 H new ATOM 0 HG2 GLN A 80 3.355 -3.647 -6.674 1.00 51.22 H new ATOM 0 HG3 GLN A 80 1.949 -3.594 -5.629 1.00 51.22 H new ATOM 0 HE21 GLN A 80 4.507 -1.312 -6.764 1.00 73.32 H new ATOM 0 HE22 GLN A 80 3.392 -0.004 -7.172 1.00 73.32 H new