USER MOD reduce.3.24.130724 H: found=0, std=0, add=1118, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1129 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 130 THR OG1 : rot 180:sc= 1.03 USER MOD Set 1.2: A 134 TYR OH : rot -11:sc= 1.19 USER MOD Set 2.1: A 71 THR OG1 : rot -68:sc= 1.24 USER MOD Set 2.2: A 128 HIS : no HE2:sc= 1.14 K(o=2.4,f=-4.5!) USER MOD Set 3.1: A 78 ASN : amide:sc= 0.52 K(o=6.9,f=2.2!) USER MOD Set 3.2: A 80 ASN : amide:sc= 1.92 X(o=6.9,f=6.9) USER MOD Set 3.3: A 85 HIS : +bothHN:sc= 0.114 K(o=6.9,f=-2.4!) USER MOD Set 3.4: A 86 SER OG : rot -120:sc= 1.44 USER MOD Set 3.5: A 112 SER OG : rot -127:sc= 2.55 USER MOD Set 3.6: A 138 CYS SG : rot -146:sc= 0.473 USER MOD Set 3.7: A 143 HIS : no HD1:sc= -0.0794 K(o=6.9,f=4.5) USER MOD Set 4.1: A 53 SER OG : rot 180:sc= 0.139 USER MOD Set 4.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 33 TYR OH : rot 165:sc= 2.16 USER MOD Set 5.2: A 57 HIS : +bothHN:sc= 0.687 K(o=2.9,f=-9.7!) USER MOD Set 6.1: A 39 HIS : +bothHN:sc= 1.47 K(o=2.7,f=-4.5!) USER MOD Set 6.2: A 75 THR OG1 : rot -110:sc= 1.24 USER MOD Set 7.1: A 27 SER OG : rot 155:sc= 0.914 USER MOD Set 7.2: A 32 THR OG1 : rot -111:sc= 1.55 USER MOD Set 8.1: A 11 THR OG1 : rot -61:sc= 1.02 USER MOD Set 8.2: A 14 GLN : amide:sc= 0.386 K(o=1.4,f=-0.24) USER MOD Single : A 5 THR OG1 : rot -26:sc= 0.0533 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 173:sc=-0.00207 (180deg=-0.0834) USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0466) USER MOD Single : A 18 MET CE :methyl -174:sc= 0 (180deg=-0.0638) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= -0.0146 (180deg=-0.0926) USER MOD Single : A 23 THR OG1 : rot -18:sc= 0.789 USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.745) USER MOD Single : A 30 THR OG1 : rot 25:sc= 0.931 USER MOD Single : A 34 SER OG : rot 180:sc= -0.367 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc=-0.00673 (180deg=-0.17) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 1 (180deg=-0.285) USER MOD Single : A 61 ASN : amide:sc= 0.202 K(o=0.2,f=-5.4!) USER MOD Single : A 63 THR OG1 : rot 170:sc= 0 USER MOD Single : A 79 THR OG1 : rot 120:sc= 0.0728 USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.06) USER MOD Single : A 90 THR OG1 : rot 155:sc= 1.53 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 143:sc= -0.136 (180deg=-0.976) USER MOD Single : A 96 TYR OH : rot 22:sc= 1.24 USER MOD Single : A 99 MET CE :methyl -169:sc=-0.00624 (180deg=-0.187) USER MOD Single : A 109 THR OG1 : rot 168:sc= 1.61 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0965) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot -59:sc= 1.17 USER MOD Single : A 126 THR OG1 : rot -54:sc= 1.16 USER MOD Single : A 133 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot 14:sc= 1.23 USER MOD Single : A 139 GLN : amide:sc= -0.379 K(o=-0.38,f=-4!) USER MOD Single : A 146 THR OG1 : rot -80:sc= 1.1 USER MOD Single : A 148 MET CE :methyl -138:sc= -0.249 (180deg=-2.49!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 5 -3.861 -3.577 12.571 1.00 0.00 N ATOM 55 CA THR A 5 -5.306 -3.603 12.427 1.00 0.00 C ATOM 56 C THR A 5 -5.886 -2.216 12.719 1.00 0.00 C ATOM 57 O THR A 5 -6.917 -2.103 13.381 1.00 0.00 O ATOM 58 CB THR A 5 -5.902 -4.683 13.344 1.00 0.00 C ATOM 59 OG1 THR A 5 -5.643 -4.354 14.693 1.00 0.00 O ATOM 60 CG2 THR A 5 -5.330 -6.072 13.051 1.00 0.00 C ATOM 0 HA THR A 5 -5.570 -3.859 11.401 1.00 0.00 H new ATOM 0 HB THR A 5 -6.975 -4.715 13.154 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.838 -3.798 14.745 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.782 -6.801 13.724 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.550 -6.346 12.019 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.250 -6.060 13.201 1.00 0.00 H new ATOM 68 N THR A 6 -5.234 -1.149 12.245 1.00 0.00 N ATOM 69 CA THR A 6 -5.702 0.221 12.425 1.00 0.00 C ATOM 70 C THR A 6 -6.801 0.491 11.389 1.00 0.00 C ATOM 71 O THR A 6 -6.660 1.304 10.478 1.00 0.00 O ATOM 72 CB THR A 6 -4.508 1.188 12.355 1.00 0.00 C ATOM 73 OG1 THR A 6 -3.482 0.729 13.216 1.00 0.00 O ATOM 74 CG2 THR A 6 -4.915 2.601 12.777 1.00 0.00 C ATOM 0 H THR A 6 -4.361 -1.217 11.722 1.00 0.00 H new ATOM 0 HA THR A 6 -6.146 0.378 13.408 1.00 0.00 H new ATOM 0 HB THR A 6 -4.156 1.220 11.324 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.719 1.343 13.172 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.050 3.262 12.717 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.698 2.967 12.113 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.287 2.582 13.801 1.00 0.00 H new ATOM 82 N TRP A 7 -7.896 -0.248 11.532 1.00 0.00 N ATOM 83 CA TRP A 7 -9.022 -0.288 10.614 1.00 0.00 C ATOM 84 C TRP A 7 -9.953 0.902 10.838 1.00 0.00 C ATOM 85 O TRP A 7 -10.483 1.058 11.936 1.00 0.00 O ATOM 86 CB TRP A 7 -9.811 -1.577 10.884 1.00 0.00 C ATOM 87 CG TRP A 7 -9.134 -2.907 10.704 1.00 0.00 C ATOM 88 CD1 TRP A 7 -9.641 -4.072 11.167 1.00 0.00 C ATOM 89 CD2 TRP A 7 -7.912 -3.268 9.985 1.00 0.00 C ATOM 90 NE1 TRP A 7 -8.835 -5.121 10.783 1.00 0.00 N ATOM 91 CE2 TRP A 7 -7.765 -4.686 10.035 1.00 0.00 C ATOM 92 CE3 TRP A 7 -6.904 -2.558 9.299 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -6.695 -5.350 9.422 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -5.861 -3.220 8.631 1.00 0.00 C ATOM 95 CH2 TRP A 7 -5.770 -4.617 8.674 1.00 0.00 C ATOM 0 H TRP A 7 -8.026 -0.866 12.333 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.648 -0.253 9.591 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.173 -1.530 11.911 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -10.688 -1.566 10.237 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.544 -4.166 11.751 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -9.009 -6.097 11.023 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -6.935 -1.479 9.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.586 -6.419 9.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.126 -2.650 8.082 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.987 -5.126 8.131 1.00 0.00 H new ATOM 106 N LYS A 8 -10.172 1.721 9.807 1.00 0.00 N ATOM 107 CA LYS A 8 -11.149 2.798 9.821 1.00 0.00 C ATOM 108 C LYS A 8 -11.787 2.847 8.431 1.00 0.00 C ATOM 109 O LYS A 8 -11.320 2.164 7.518 1.00 0.00 O ATOM 110 CB LYS A 8 -10.457 4.134 10.139 1.00 0.00 C ATOM 111 CG LYS A 8 -9.748 4.212 11.498 1.00 0.00 C ATOM 112 CD LYS A 8 -10.742 4.226 12.669 1.00 0.00 C ATOM 113 CE LYS A 8 -10.018 4.229 14.021 1.00 0.00 C ATOM 114 NZ LYS A 8 -9.213 5.449 14.218 1.00 0.00 N ATOM 0 H LYS A 8 -9.663 1.648 8.926 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.907 2.626 10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.726 4.338 9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.203 4.928 10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.075 3.361 11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.133 5.111 11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.380 5.106 12.595 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.393 3.354 12.606 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.750 4.145 14.824 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.371 3.354 14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.838 5.464 15.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.423 5.457 13.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.809 6.287 14.064 1.00 0.00 H new ATOM 128 N GLU A 9 -12.857 3.630 8.253 1.00 0.00 N ATOM 129 CA GLU A 9 -13.424 3.875 6.935 1.00 0.00 C ATOM 130 C GLU A 9 -13.715 5.362 6.790 1.00 0.00 C ATOM 131 O GLU A 9 -14.337 5.955 7.668 1.00 0.00 O ATOM 132 CB GLU A 9 -14.674 3.057 6.598 1.00 0.00 C ATOM 133 CG GLU A 9 -14.629 1.595 7.074 1.00 0.00 C ATOM 134 CD GLU A 9 -14.871 1.454 8.571 1.00 0.00 C ATOM 135 OE1 GLU A 9 -15.856 1.980 9.079 1.00 0.00 O ATOM 136 OE2 GLU A 9 -13.954 0.729 9.264 1.00 0.00 O ATOM 0 H GLU A 9 -13.345 4.104 9.013 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.674 3.542 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.542 3.544 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.820 3.070 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.380 1.018 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.658 1.167 6.826 1.00 0.00 H new ATOM 144 N ALA A 10 -13.236 5.949 5.697 1.00 0.00 N ATOM 145 CA ALA A 10 -13.527 7.308 5.294 1.00 0.00 C ATOM 146 C ALA A 10 -14.688 7.199 4.299 1.00 0.00 C ATOM 147 O ALA A 10 -15.392 6.190 4.314 1.00 0.00 O ATOM 148 CB ALA A 10 -12.254 7.906 4.689 1.00 0.00 C ATOM 0 H ALA A 10 -12.613 5.468 5.049 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.820 7.968 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.447 8.932 4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.458 7.897 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.949 7.315 3.825 1.00 0.00 H new ATOM 154 N THR A 11 -14.884 8.175 3.412 1.00 0.00 N ATOM 155 CA THR A 11 -15.882 8.107 2.350 1.00 0.00 C ATOM 156 C THR A 11 -15.289 8.645 1.042 1.00 0.00 C ATOM 157 O THR A 11 -14.200 9.216 1.051 1.00 0.00 O ATOM 158 CB THR A 11 -17.163 8.856 2.754 1.00 0.00 C ATOM 159 OG1 THR A 11 -16.865 10.228 2.913 1.00 0.00 O ATOM 160 CG2 THR A 11 -17.778 8.360 4.066 1.00 0.00 C ATOM 0 H THR A 11 -14.348 9.043 3.413 1.00 0.00 H new ATOM 0 HA THR A 11 -16.162 7.066 2.188 1.00 0.00 H new ATOM 0 HB THR A 11 -17.886 8.676 1.959 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.204 10.338 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.678 8.935 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.035 7.305 3.971 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.059 8.487 4.876 1.00 0.00 H new ATOM 168 N LEU A 12 -16.003 8.487 -0.077 1.00 0.00 N ATOM 169 CA LEU A 12 -15.527 8.828 -1.420 1.00 0.00 C ATOM 170 C LEU A 12 -14.674 10.110 -1.512 1.00 0.00 C ATOM 171 O LEU A 12 -13.515 10.012 -1.916 1.00 0.00 O ATOM 172 CB LEU A 12 -16.713 8.819 -2.396 1.00 0.00 C ATOM 173 CG LEU A 12 -16.299 8.972 -3.870 1.00 0.00 C ATOM 174 CD1 LEU A 12 -17.189 8.089 -4.754 1.00 0.00 C ATOM 175 CD2 LEU A 12 -16.428 10.425 -4.347 1.00 0.00 C ATOM 0 H LEU A 12 -16.951 8.109 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.816 8.054 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.264 7.886 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.395 9.627 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.255 8.668 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -16.892 8.201 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.079 7.047 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.230 8.391 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.127 10.493 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.463 10.751 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.786 11.065 -3.742 1.00 0.00 H new ATOM 187 N PRO A 13 -15.164 11.310 -1.151 1.00 0.00 N ATOM 188 CA PRO A 13 -14.365 12.525 -1.279 1.00 0.00 C ATOM 189 C PRO A 13 -13.075 12.464 -0.452 1.00 0.00 C ATOM 190 O PRO A 13 -12.061 13.057 -0.819 1.00 0.00 O ATOM 191 CB PRO A 13 -15.278 13.671 -0.831 1.00 0.00 C ATOM 192 CG PRO A 13 -16.300 12.984 0.075 1.00 0.00 C ATOM 193 CD PRO A 13 -16.470 11.620 -0.590 1.00 0.00 C ATOM 0 HA PRO A 13 -14.028 12.664 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.722 14.441 -0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -15.758 14.157 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -15.938 12.893 1.099 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -17.240 13.535 0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -16.779 10.864 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -17.235 11.651 -1.365 1.00 0.00 H new ATOM 201 N GLN A 14 -13.086 11.725 0.659 1.00 0.00 N ATOM 202 CA GLN A 14 -11.915 11.583 1.503 1.00 0.00 C ATOM 203 C GLN A 14 -10.819 10.808 0.773 1.00 0.00 C ATOM 204 O GLN A 14 -9.642 10.995 1.074 1.00 0.00 O ATOM 205 CB GLN A 14 -12.289 10.941 2.837 1.00 0.00 C ATOM 206 CG GLN A 14 -13.419 11.752 3.500 1.00 0.00 C ATOM 207 CD GLN A 14 -13.858 11.168 4.832 1.00 0.00 C ATOM 208 OE1 GLN A 14 -14.895 10.516 4.904 1.00 0.00 O ATOM 209 NE2 GLN A 14 -13.075 11.368 5.887 1.00 0.00 N ATOM 0 H GLN A 14 -13.904 11.214 0.991 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.515 12.573 1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -12.610 9.911 2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -11.419 10.907 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.083 12.778 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.275 11.792 2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.220 11.915 5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.329 10.974 6.793 1.00 0.00 H new ATOM 218 N VAL A 15 -11.180 9.956 -0.195 1.00 0.00 N ATOM 219 CA VAL A 15 -10.178 9.292 -1.017 1.00 0.00 C ATOM 220 C VAL A 15 -9.396 10.363 -1.777 1.00 0.00 C ATOM 221 O VAL A 15 -8.168 10.338 -1.791 1.00 0.00 O ATOM 222 CB VAL A 15 -10.819 8.275 -1.975 1.00 0.00 C ATOM 223 CG1 VAL A 15 -9.744 7.530 -2.774 1.00 0.00 C ATOM 224 CG2 VAL A 15 -11.677 7.259 -1.214 1.00 0.00 C ATOM 0 H VAL A 15 -12.145 9.717 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.499 8.725 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.458 8.833 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.220 6.815 -3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.163 8.245 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.083 6.999 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.117 6.553 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.054 6.719 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.471 7.781 -0.680 1.00 0.00 H new ATOM 234 N LYS A 16 -10.102 11.325 -2.379 1.00 0.00 N ATOM 235 CA LYS A 16 -9.462 12.439 -3.062 1.00 0.00 C ATOM 236 C LYS A 16 -8.611 13.229 -2.069 1.00 0.00 C ATOM 237 O LYS A 16 -7.437 13.479 -2.331 1.00 0.00 O ATOM 238 CB LYS A 16 -10.493 13.329 -3.767 1.00 0.00 C ATOM 239 CG LYS A 16 -11.292 12.539 -4.810 1.00 0.00 C ATOM 240 CD LYS A 16 -12.220 13.485 -5.582 1.00 0.00 C ATOM 241 CE LYS A 16 -12.929 12.766 -6.735 1.00 0.00 C ATOM 242 NZ LYS A 16 -13.781 11.663 -6.258 1.00 0.00 N ATOM 0 H LYS A 16 -11.121 11.349 -2.404 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.807 12.048 -3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.174 13.754 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.986 14.164 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.612 12.039 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.877 11.761 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.962 13.902 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.642 14.321 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.538 13.481 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.186 12.375 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.306 11.259 -7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.186 10.927 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.452 12.024 -5.551 1.00 0.00 H new ATOM 256 N ALA A 17 -9.184 13.583 -0.913 1.00 0.00 N ATOM 257 CA ALA A 17 -8.452 14.293 0.131 1.00 0.00 C ATOM 258 C ALA A 17 -7.127 13.593 0.459 1.00 0.00 C ATOM 259 O ALA A 17 -6.077 14.230 0.490 1.00 0.00 O ATOM 260 CB ALA A 17 -9.316 14.449 1.385 1.00 0.00 C ATOM 0 H ALA A 17 -10.157 13.386 -0.680 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.213 15.288 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.752 14.981 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.216 15.013 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.596 13.464 1.759 1.00 0.00 H new ATOM 266 N MET A 18 -7.166 12.279 0.688 1.00 0.00 N ATOM 267 CA MET A 18 -5.960 11.510 0.953 1.00 0.00 C ATOM 268 C MET A 18 -5.027 11.527 -0.262 1.00 0.00 C ATOM 269 O MET A 18 -3.857 11.850 -0.105 1.00 0.00 O ATOM 270 CB MET A 18 -6.307 10.092 1.420 1.00 0.00 C ATOM 271 CG MET A 18 -6.790 10.127 2.879 1.00 0.00 C ATOM 272 SD MET A 18 -7.233 8.534 3.617 1.00 0.00 S ATOM 273 CE MET A 18 -8.740 8.190 2.695 1.00 0.00 C ATOM 0 H MET A 18 -8.025 11.729 0.694 1.00 0.00 H new ATOM 0 HA MET A 18 -5.415 11.980 1.771 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.082 9.668 0.781 1.00 0.00 H new ATOM 0 HB3 MET A 18 -5.433 9.446 1.332 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.007 10.580 3.488 1.00 0.00 H new ATOM 0 HG3 MET A 18 -7.658 10.784 2.936 1.00 0.00 H new ATOM 0 HE1 MET A 18 -9.213 7.292 3.093 1.00 0.00 H new ATOM 0 HE2 MET A 18 -9.424 9.033 2.789 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.496 8.036 1.644 1.00 0.00 H new ATOM 283 N LEU A 19 -5.514 11.219 -1.470 1.00 0.00 N ATOM 284 CA LEU A 19 -4.696 11.235 -2.688 1.00 0.00 C ATOM 285 C LEU A 19 -3.961 12.566 -2.866 1.00 0.00 C ATOM 286 O LEU A 19 -2.792 12.579 -3.249 1.00 0.00 O ATOM 287 CB LEU A 19 -5.552 10.919 -3.923 1.00 0.00 C ATOM 288 CG LEU A 19 -5.971 9.442 -4.026 1.00 0.00 C ATOM 289 CD1 LEU A 19 -7.095 9.311 -5.059 1.00 0.00 C ATOM 290 CD2 LEU A 19 -4.804 8.547 -4.466 1.00 0.00 C ATOM 0 H LEU A 19 -6.485 10.952 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.940 10.457 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.447 11.540 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.995 11.193 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.301 9.120 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.397 8.267 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.948 9.913 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.740 9.660 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.142 7.512 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.447 8.870 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.994 8.623 -3.741 1.00 0.00 H new ATOM 302 N GLU A 20 -4.634 13.684 -2.580 1.00 0.00 N ATOM 303 CA GLU A 20 -4.018 15.003 -2.598 1.00 0.00 C ATOM 304 C GLU A 20 -2.818 15.056 -1.642 1.00 0.00 C ATOM 305 O GLU A 20 -1.804 15.674 -1.960 1.00 0.00 O ATOM 306 CB GLU A 20 -5.067 16.068 -2.258 1.00 0.00 C ATOM 307 CG GLU A 20 -6.130 16.186 -3.362 1.00 0.00 C ATOM 308 CD GLU A 20 -7.402 16.845 -2.849 1.00 0.00 C ATOM 309 OE1 GLU A 20 -8.496 16.355 -3.114 1.00 0.00 O ATOM 310 OE2 GLU A 20 -7.233 17.966 -2.101 1.00 0.00 O ATOM 0 H GLU A 20 -5.623 13.694 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.638 15.209 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.549 15.817 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.577 17.032 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.729 16.766 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.364 15.194 -3.749 1.00 0.00 H new ATOM 318 N LYS A 21 -2.888 14.371 -0.496 1.00 0.00 N ATOM 319 CA LYS A 21 -1.780 14.249 0.447 1.00 0.00 C ATOM 320 C LYS A 21 -0.779 13.200 -0.066 1.00 0.00 C ATOM 321 O LYS A 21 -0.381 12.294 0.665 1.00 0.00 O ATOM 322 CB LYS A 21 -2.319 13.873 1.841 1.00 0.00 C ATOM 323 CG LYS A 21 -3.449 14.780 2.357 1.00 0.00 C ATOM 324 CD LYS A 21 -2.974 15.794 3.404 1.00 0.00 C ATOM 325 CE LYS A 21 -1.925 16.783 2.877 1.00 0.00 C ATOM 326 NZ LYS A 21 -2.412 17.535 1.706 1.00 0.00 N ATOM 0 H LYS A 21 -3.730 13.880 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.261 15.204 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.681 12.845 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.495 13.900 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.891 15.315 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.235 14.161 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.835 16.353 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.557 15.255 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.655 17.481 3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.019 16.241 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.722 18.272 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.533 16.886 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.325 17.978 1.933 1.00 0.00 H new ATOM 340 N ASP A 22 -0.363 13.323 -1.329 1.00 0.00 N ATOM 341 CA ASP A 22 0.497 12.352 -1.993 1.00 0.00 C ATOM 342 C ASP A 22 1.903 12.399 -1.397 1.00 0.00 C ATOM 343 O ASP A 22 2.455 11.368 -1.023 1.00 0.00 O ATOM 344 CB ASP A 22 0.468 12.569 -3.519 1.00 0.00 C ATOM 345 CG ASP A 22 1.849 12.614 -4.162 1.00 0.00 C ATOM 346 OD1 ASP A 22 2.421 13.694 -4.255 1.00 0.00 O ATOM 347 OD2 ASP A 22 2.364 11.432 -4.585 1.00 0.00 O ATOM 0 H ASP A 22 -0.620 14.111 -1.923 1.00 0.00 H new ATOM 0 HA ASP A 22 0.122 11.343 -1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.110 11.768 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.053 13.502 -3.734 1.00 0.00 H new ATOM 353 N THR A 23 2.483 13.598 -1.318 1.00 0.00 N ATOM 354 CA THR A 23 3.808 13.905 -0.778 1.00 0.00 C ATOM 355 C THR A 23 4.988 13.305 -1.570 1.00 0.00 C ATOM 356 O THR A 23 5.964 14.012 -1.820 1.00 0.00 O ATOM 357 CB THR A 23 3.874 13.713 0.751 1.00 0.00 C ATOM 358 OG1 THR A 23 3.676 12.384 1.177 1.00 0.00 O ATOM 359 CG2 THR A 23 2.828 14.577 1.462 1.00 0.00 C ATOM 0 H THR A 23 2.007 14.436 -1.652 1.00 0.00 H new ATOM 0 HA THR A 23 3.952 14.973 -0.939 1.00 0.00 H new ATOM 0 HB THR A 23 4.889 14.011 1.015 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.244 11.872 0.462 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.898 14.421 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.009 15.628 1.235 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.832 14.298 1.119 1.00 0.00 H new ATOM 367 N GLY A 24 4.925 12.037 -1.986 1.00 0.00 N ATOM 368 CA GLY A 24 5.925 11.409 -2.840 1.00 0.00 C ATOM 369 C GLY A 24 5.983 12.091 -4.208 1.00 0.00 C ATOM 370 O GLY A 24 4.997 12.073 -4.946 1.00 0.00 O ATOM 0 H GLY A 24 4.161 11.410 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.903 11.462 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.689 10.352 -2.966 1.00 0.00 H new ATOM 374 N LYS A 25 7.137 12.665 -4.551 1.00 0.00 N ATOM 375 CA LYS A 25 7.411 13.281 -5.839 1.00 0.00 C ATOM 376 C LYS A 25 7.744 12.188 -6.858 1.00 0.00 C ATOM 377 O LYS A 25 8.043 11.062 -6.473 1.00 0.00 O ATOM 378 CB LYS A 25 8.586 14.265 -5.712 1.00 0.00 C ATOM 379 CG LYS A 25 8.369 15.346 -4.639 1.00 0.00 C ATOM 380 CD LYS A 25 8.986 14.967 -3.282 1.00 0.00 C ATOM 381 CE LYS A 25 8.863 16.107 -2.264 1.00 0.00 C ATOM 382 NZ LYS A 25 7.455 16.440 -1.991 1.00 0.00 N ATOM 0 H LYS A 25 7.931 12.713 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 25 6.533 13.832 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.492 13.707 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.750 14.748 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.804 16.285 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.300 15.517 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.491 14.077 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.037 14.713 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.357 15.821 -1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.380 16.990 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.390 16.964 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.081 17.027 -2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.898 15.564 -1.921 1.00 0.00 H new ATOM 396 N VAL A 26 7.706 12.504 -8.153 1.00 0.00 N ATOM 397 CA VAL A 26 7.990 11.542 -9.214 1.00 0.00 C ATOM 398 C VAL A 26 9.501 11.468 -9.470 1.00 0.00 C ATOM 399 O VAL A 26 10.226 12.439 -9.257 1.00 0.00 O ATOM 400 CB VAL A 26 7.204 11.931 -10.479 1.00 0.00 C ATOM 401 CG1 VAL A 26 7.453 10.938 -11.622 1.00 0.00 C ATOM 402 CG2 VAL A 26 5.699 11.963 -10.175 1.00 0.00 C ATOM 0 H VAL A 26 7.477 13.437 -8.495 1.00 0.00 H new ATOM 0 HA VAL A 26 7.667 10.546 -8.912 1.00 0.00 H new ATOM 0 HB VAL A 26 7.549 12.918 -10.788 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.883 11.243 -12.500 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.515 10.924 -11.866 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.138 9.941 -11.313 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.152 12.239 -11.076 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.374 10.978 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.501 12.695 -9.392 1.00 0.00 H new ATOM 412 N SER A 27 9.992 10.312 -9.925 1.00 0.00 N ATOM 413 CA SER A 27 11.377 10.093 -10.324 1.00 0.00 C ATOM 414 C SER A 27 11.408 9.009 -11.400 1.00 0.00 C ATOM 415 O SER A 27 11.833 7.887 -11.144 1.00 0.00 O ATOM 416 CB SER A 27 12.220 9.728 -9.100 1.00 0.00 C ATOM 417 OG SER A 27 12.191 10.787 -8.158 1.00 0.00 O ATOM 0 H SER A 27 9.414 9.478 -10.028 1.00 0.00 H new ATOM 0 HA SER A 27 11.808 11.001 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.838 8.814 -8.644 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.248 9.528 -9.403 1.00 0.00 H new ATOM 0 HG SER A 27 12.358 10.431 -7.260 1.00 0.00 H new ATOM 423 N GLY A 28 10.954 9.340 -12.611 1.00 0.00 N ATOM 424 CA GLY A 28 10.798 8.348 -13.665 1.00 0.00 C ATOM 425 C GLY A 28 9.715 7.366 -13.221 1.00 0.00 C ATOM 426 O GLY A 28 8.780 7.772 -12.531 1.00 0.00 O ATOM 0 H GLY A 28 10.690 10.287 -12.881 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.518 8.827 -14.603 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.739 7.826 -13.842 1.00 0.00 H new ATOM 430 N ASP A 29 9.840 6.074 -13.547 1.00 0.00 N ATOM 431 CA ASP A 29 8.905 5.063 -13.050 1.00 0.00 C ATOM 432 C ASP A 29 9.276 4.676 -11.614 1.00 0.00 C ATOM 433 O ASP A 29 9.563 3.517 -11.322 1.00 0.00 O ATOM 434 CB ASP A 29 8.879 3.837 -13.974 1.00 0.00 C ATOM 435 CG ASP A 29 7.851 2.811 -13.510 1.00 0.00 C ATOM 436 OD1 ASP A 29 6.879 3.170 -12.849 1.00 0.00 O ATOM 437 OD2 ASP A 29 8.083 1.527 -13.883 1.00 0.00 O ATOM 0 H ASP A 29 10.576 5.707 -14.150 1.00 0.00 H new ATOM 0 HA ASP A 29 7.899 5.483 -13.045 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.647 4.152 -14.992 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.867 3.378 -13.999 1.00 0.00 H new ATOM 443 N THR A 30 9.316 5.663 -10.724 1.00 0.00 N ATOM 444 CA THR A 30 9.602 5.537 -9.308 1.00 0.00 C ATOM 445 C THR A 30 9.060 6.816 -8.673 1.00 0.00 C ATOM 446 O THR A 30 8.928 7.835 -9.356 1.00 0.00 O ATOM 447 CB THR A 30 11.118 5.322 -9.102 1.00 0.00 C ATOM 448 OG1 THR A 30 11.454 3.982 -9.394 1.00 0.00 O ATOM 449 CG2 THR A 30 11.641 5.625 -7.701 1.00 0.00 C ATOM 0 H THR A 30 9.138 6.630 -10.994 1.00 0.00 H new ATOM 0 HA THR A 30 9.130 4.674 -8.838 1.00 0.00 H new ATOM 0 HB THR A 30 11.587 6.037 -9.778 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.797 3.609 -10.018 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.715 5.441 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.443 6.669 -7.457 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.139 4.982 -6.978 1.00 0.00 H new ATOM 457 N VAL A 31 8.706 6.750 -7.393 1.00 0.00 N ATOM 458 CA VAL A 31 8.277 7.867 -6.574 1.00 0.00 C ATOM 459 C VAL A 31 9.357 8.058 -5.497 1.00 0.00 C ATOM 460 O VAL A 31 10.047 7.102 -5.140 1.00 0.00 O ATOM 461 CB VAL A 31 6.853 7.584 -6.048 1.00 0.00 C ATOM 462 CG1 VAL A 31 6.497 8.441 -4.830 1.00 0.00 C ATOM 463 CG2 VAL A 31 5.827 7.838 -7.158 1.00 0.00 C ATOM 0 H VAL A 31 8.713 5.870 -6.878 1.00 0.00 H new ATOM 0 HA VAL A 31 8.190 8.809 -7.115 1.00 0.00 H new ATOM 0 HB VAL A 31 6.830 6.539 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.486 8.203 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.200 8.235 -4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.552 9.496 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.825 7.636 -6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.891 8.877 -7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.035 7.182 -8.003 1.00 0.00 H new ATOM 473 N THR A 32 9.530 9.280 -4.991 1.00 0.00 N ATOM 474 CA THR A 32 10.605 9.638 -4.083 1.00 0.00 C ATOM 475 C THR A 32 10.073 10.591 -3.024 1.00 0.00 C ATOM 476 O THR A 32 9.330 11.516 -3.341 1.00 0.00 O ATOM 477 CB THR A 32 11.730 10.291 -4.896 1.00 0.00 C ATOM 478 OG1 THR A 32 12.227 9.357 -5.831 1.00 0.00 O ATOM 479 CG2 THR A 32 12.890 10.776 -4.023 1.00 0.00 C ATOM 0 H THR A 32 8.910 10.060 -5.210 1.00 0.00 H new ATOM 0 HA THR A 32 10.996 8.754 -3.579 1.00 0.00 H new ATOM 0 HB THR A 32 11.304 11.163 -5.392 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.138 9.096 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.655 11.229 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.524 11.514 -3.309 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.318 9.931 -3.484 1.00 0.00 H new ATOM 487 N TYR A 33 10.462 10.365 -1.771 1.00 0.00 N ATOM 488 CA TYR A 33 10.112 11.213 -0.645 1.00 0.00 C ATOM 489 C TYR A 33 11.334 12.007 -0.193 1.00 0.00 C ATOM 490 O TYR A 33 12.465 11.703 -0.572 1.00 0.00 O ATOM 491 CB TYR A 33 9.557 10.338 0.475 1.00 0.00 C ATOM 492 CG TYR A 33 8.158 9.838 0.188 1.00 0.00 C ATOM 493 CD1 TYR A 33 7.946 8.751 -0.683 1.00 0.00 C ATOM 494 CD2 TYR A 33 7.056 10.503 0.754 1.00 0.00 C ATOM 495 CE1 TYR A 33 6.635 8.357 -1.006 1.00 0.00 C ATOM 496 CE2 TYR A 33 5.761 10.019 0.530 1.00 0.00 C ATOM 497 CZ TYR A 33 5.542 8.994 -0.398 1.00 0.00 C ATOM 498 OH TYR A 33 4.271 8.648 -0.735 1.00 0.00 O ATOM 0 H TYR A 33 11.042 9.568 -1.510 1.00 0.00 H new ATOM 0 HA TYR A 33 9.346 11.933 -0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.219 9.485 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.551 10.906 1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.789 8.221 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.208 11.384 1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.469 7.565 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.928 10.438 1.075 1.00 0.00 H new ATOM 0 HH TYR A 33 3.648 9.000 -0.066 1.00 0.00 H new ATOM 508 N SER A 34 11.105 13.052 0.607 1.00 0.00 N ATOM 509 CA SER A 34 12.150 13.976 1.038 1.00 0.00 C ATOM 510 C SER A 34 11.709 14.714 2.303 1.00 0.00 C ATOM 511 O SER A 34 11.816 15.934 2.388 1.00 0.00 O ATOM 512 CB SER A 34 12.483 14.969 -0.089 1.00 0.00 C ATOM 513 OG SER A 34 12.724 14.310 -1.319 1.00 0.00 O ATOM 0 H SER A 34 10.181 13.280 0.975 1.00 0.00 H new ATOM 0 HA SER A 34 13.052 13.409 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.658 15.672 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.361 15.552 0.189 1.00 0.00 H new ATOM 0 HG SER A 34 12.930 14.973 -2.010 1.00 0.00 H new ATOM 519 N GLY A 35 11.193 13.973 3.284 1.00 0.00 N ATOM 520 CA GLY A 35 10.744 14.507 4.557 1.00 0.00 C ATOM 521 C GLY A 35 10.333 13.330 5.432 1.00 0.00 C ATOM 522 O GLY A 35 10.294 12.202 4.946 1.00 0.00 O ATOM 0 H GLY A 35 11.076 12.963 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.540 15.079 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.905 15.188 4.412 1.00 0.00 H new ATOM 526 N LYS A 36 10.047 13.579 6.714 1.00 0.00 N ATOM 527 CA LYS A 36 9.695 12.514 7.645 1.00 0.00 C ATOM 528 C LYS A 36 8.264 12.025 7.404 1.00 0.00 C ATOM 529 O LYS A 36 7.976 10.854 7.631 1.00 0.00 O ATOM 530 CB LYS A 36 9.885 12.967 9.100 1.00 0.00 C ATOM 531 CG LYS A 36 11.335 12.925 9.601 1.00 0.00 C ATOM 532 CD LYS A 36 12.283 13.872 8.858 1.00 0.00 C ATOM 533 CE LYS A 36 13.689 13.805 9.463 1.00 0.00 C ATOM 534 NZ LYS A 36 13.737 14.348 10.832 1.00 0.00 N ATOM 0 H LYS A 36 10.054 14.512 7.126 1.00 0.00 H new ATOM 0 HA LYS A 36 10.370 11.677 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.509 13.985 9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.274 12.336 9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.348 13.174 10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.711 11.906 9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.322 13.603 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.905 14.893 8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.028 12.769 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.381 14.361 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.728 14.486 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.238 15.260 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.279 13.682 11.486 1.00 0.00 H new ATOM 548 N THR A 37 7.355 12.901 6.973 1.00 0.00 N ATOM 549 CA THR A 37 5.946 12.567 6.814 1.00 0.00 C ATOM 550 C THR A 37 5.729 11.791 5.511 1.00 0.00 C ATOM 551 O THR A 37 5.164 12.304 4.545 1.00 0.00 O ATOM 552 CB THR A 37 5.131 13.867 6.865 1.00 0.00 C ATOM 553 OG1 THR A 37 5.640 14.695 7.893 1.00 0.00 O ATOM 554 CG2 THR A 37 3.652 13.572 7.131 1.00 0.00 C ATOM 0 H THR A 37 7.580 13.864 6.725 1.00 0.00 H new ATOM 0 HA THR A 37 5.610 11.917 7.622 1.00 0.00 H new ATOM 0 HB THR A 37 5.214 14.371 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.124 15.527 7.928 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.094 14.508 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.258 12.942 6.334 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.550 13.056 8.086 1.00 0.00 H new ATOM 562 N VAL A 38 6.184 10.539 5.478 1.00 0.00 N ATOM 563 CA VAL A 38 6.122 9.709 4.285 1.00 0.00 C ATOM 564 C VAL A 38 4.720 9.107 4.184 1.00 0.00 C ATOM 565 O VAL A 38 4.482 7.953 4.532 1.00 0.00 O ATOM 566 CB VAL A 38 7.306 8.726 4.267 1.00 0.00 C ATOM 567 CG1 VAL A 38 7.221 7.693 3.135 1.00 0.00 C ATOM 568 CG2 VAL A 38 8.594 9.535 4.083 1.00 0.00 C ATOM 0 H VAL A 38 6.606 10.075 6.282 1.00 0.00 H new ATOM 0 HA VAL A 38 6.252 10.281 3.366 1.00 0.00 H new ATOM 0 HB VAL A 38 7.288 8.177 5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.086 7.032 3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.309 7.106 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.207 8.207 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.449 8.859 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.548 10.084 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.703 10.238 4.909 1.00 0.00 H new ATOM 578 N HIS A 39 3.774 9.930 3.729 1.00 0.00 N ATOM 579 CA HIS A 39 2.388 9.539 3.526 1.00 0.00 C ATOM 580 C HIS A 39 2.268 8.802 2.191 1.00 0.00 C ATOM 581 O HIS A 39 2.468 9.413 1.142 1.00 0.00 O ATOM 582 CB HIS A 39 1.503 10.791 3.567 1.00 0.00 C ATOM 583 CG HIS A 39 0.047 10.491 3.801 1.00 0.00 C ATOM 584 ND1 HIS A 39 -1.000 10.798 2.956 1.00 0.00 N ATOM 585 CD2 HIS A 39 -0.471 9.928 4.932 1.00 0.00 C ATOM 586 CE1 HIS A 39 -2.140 10.424 3.567 1.00 0.00 C ATOM 587 NE2 HIS A 39 -1.841 9.894 4.771 1.00 0.00 N ATOM 0 H HIS A 39 3.958 10.904 3.488 1.00 0.00 H new ATOM 0 HA HIS A 39 2.056 8.865 4.315 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.860 11.453 4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.608 11.331 2.626 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -0.924 11.230 2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.085 9.577 5.789 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.134 10.531 3.159 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.513 9.530 5.447 1.00 0.00 H new ATOM 596 N VAL A 40 1.982 7.498 2.212 1.00 0.00 N ATOM 597 CA VAL A 40 1.894 6.673 1.007 1.00 0.00 C ATOM 598 C VAL A 40 0.431 6.292 0.791 1.00 0.00 C ATOM 599 O VAL A 40 -0.094 5.466 1.533 1.00 0.00 O ATOM 600 CB VAL A 40 2.794 5.430 1.140 1.00 0.00 C ATOM 601 CG1 VAL A 40 2.695 4.551 -0.114 1.00 0.00 C ATOM 602 CG2 VAL A 40 4.258 5.815 1.381 1.00 0.00 C ATOM 0 H VAL A 40 1.804 6.982 3.073 1.00 0.00 H new ATOM 0 HA VAL A 40 2.248 7.229 0.139 1.00 0.00 H new ATOM 0 HB VAL A 40 2.439 4.868 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.339 3.679 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.664 4.226 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.012 5.123 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.862 4.912 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.620 6.413 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.335 6.395 2.301 1.00 0.00 H new ATOM 612 N VAL A 41 -0.235 6.891 -0.201 1.00 0.00 N ATOM 613 CA VAL A 41 -1.662 6.691 -0.420 1.00 0.00 C ATOM 614 C VAL A 41 -1.886 5.497 -1.358 1.00 0.00 C ATOM 615 O VAL A 41 -1.824 5.649 -2.578 1.00 0.00 O ATOM 616 CB VAL A 41 -2.303 7.984 -0.947 1.00 0.00 C ATOM 617 CG1 VAL A 41 -3.829 7.857 -0.867 1.00 0.00 C ATOM 618 CG2 VAL A 41 -1.861 9.212 -0.138 1.00 0.00 C ATOM 0 H VAL A 41 0.202 7.525 -0.870 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.151 6.455 0.525 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.979 8.123 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.290 8.772 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.156 7.012 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.127 7.697 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.337 10.105 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.154 9.086 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.778 9.318 -0.200 1.00 0.00 H new ATOM 628 N ALA A 42 -2.128 4.314 -0.785 1.00 0.00 N ATOM 629 CA ALA A 42 -2.256 3.045 -1.492 1.00 0.00 C ATOM 630 C ALA A 42 -3.725 2.657 -1.686 1.00 0.00 C ATOM 631 O ALA A 42 -4.354 2.108 -0.780 1.00 0.00 O ATOM 632 CB ALA A 42 -1.488 1.965 -0.723 1.00 0.00 C ATOM 0 H ALA A 42 -2.244 4.215 0.224 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.827 3.147 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.579 1.013 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.436 2.244 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.902 1.869 0.281 1.00 0.00 H new ATOM 638 N ALA A 43 -4.277 2.897 -2.876 1.00 0.00 N ATOM 639 CA ALA A 43 -5.627 2.475 -3.204 1.00 0.00 C ATOM 640 C ALA A 43 -5.610 1.045 -3.747 1.00 0.00 C ATOM 641 O ALA A 43 -5.146 0.794 -4.861 1.00 0.00 O ATOM 642 CB ALA A 43 -6.268 3.455 -4.183 1.00 0.00 C ATOM 0 H ALA A 43 -3.799 3.387 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.238 2.477 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.280 3.124 -4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.306 4.447 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.677 3.495 -5.098 1.00 0.00 H new ATOM 648 N ALA A 44 -6.103 0.080 -2.969 1.00 0.00 N ATOM 649 CA ALA A 44 -6.126 -1.312 -3.399 1.00 0.00 C ATOM 650 C ALA A 44 -7.385 -1.558 -4.221 1.00 0.00 C ATOM 651 O ALA A 44 -8.376 -2.054 -3.692 1.00 0.00 O ATOM 652 CB ALA A 44 -6.016 -2.255 -2.204 1.00 0.00 C ATOM 0 H ALA A 44 -6.491 0.240 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.261 -1.518 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.036 -3.288 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.080 -2.067 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.854 -2.084 -1.528 1.00 0.00 H new ATOM 658 N VAL A 45 -7.308 -1.208 -5.508 1.00 0.00 N ATOM 659 CA VAL A 45 -8.351 -1.429 -6.502 1.00 0.00 C ATOM 660 C VAL A 45 -9.562 -0.540 -6.187 1.00 0.00 C ATOM 661 O VAL A 45 -10.424 -0.897 -5.386 1.00 0.00 O ATOM 662 CB VAL A 45 -8.702 -2.928 -6.616 1.00 0.00 C ATOM 663 CG1 VAL A 45 -9.692 -3.180 -7.758 1.00 0.00 C ATOM 664 CG2 VAL A 45 -7.449 -3.782 -6.865 1.00 0.00 C ATOM 0 H VAL A 45 -6.485 -0.746 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.987 -1.138 -7.487 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.154 -3.214 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.920 -4.244 -7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.610 -2.621 -7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.251 -2.854 -8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.733 -4.832 -6.940 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.973 -3.468 -7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.751 -3.653 -6.038 1.00 0.00 H new ATOM 674 N LEU A 46 -9.644 0.627 -6.834 1.00 0.00 N ATOM 675 CA LEU A 46 -10.733 1.566 -6.590 1.00 0.00 C ATOM 676 C LEU A 46 -11.990 1.069 -7.308 1.00 0.00 C ATOM 677 O LEU A 46 -11.873 0.524 -8.407 1.00 0.00 O ATOM 678 CB LEU A 46 -10.360 2.956 -7.132 1.00 0.00 C ATOM 679 CG LEU A 46 -9.261 3.659 -6.325 1.00 0.00 C ATOM 680 CD1 LEU A 46 -8.761 4.882 -7.101 1.00 0.00 C ATOM 681 CD2 LEU A 46 -9.785 4.116 -4.955 1.00 0.00 C ATOM 0 H LEU A 46 -8.967 0.940 -7.530 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.915 1.636 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.031 2.856 -8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.251 3.584 -7.140 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.448 2.950 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.980 5.382 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.358 4.563 -8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.589 5.572 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.984 4.611 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.612 4.812 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.131 3.250 -4.390 1.00 0.00 H new ATOM 693 N PRO A 47 -13.185 1.260 -6.719 1.00 0.00 N ATOM 694 CA PRO A 47 -14.442 0.815 -7.297 1.00 0.00 C ATOM 695 C PRO A 47 -14.616 1.458 -8.673 1.00 0.00 C ATOM 696 O PRO A 47 -14.846 2.659 -8.795 1.00 0.00 O ATOM 697 CB PRO A 47 -15.531 1.203 -6.295 1.00 0.00 C ATOM 698 CG PRO A 47 -14.914 2.361 -5.516 1.00 0.00 C ATOM 699 CD PRO A 47 -13.428 2.006 -5.495 1.00 0.00 C ATOM 0 HA PRO A 47 -14.485 -0.261 -7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -16.449 1.504 -6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.786 0.371 -5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -15.094 3.318 -6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -15.326 2.435 -4.509 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.811 2.904 -5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.180 1.409 -4.617 1.00 0.00 H new ATOM 748 N PHE A 51 -10.270 -5.285 -10.490 1.00 0.00 N ATOM 749 CA PHE A 51 -8.998 -5.833 -10.045 1.00 0.00 C ATOM 750 C PHE A 51 -7.944 -5.208 -10.975 1.00 0.00 C ATOM 751 O PHE A 51 -8.335 -4.482 -11.894 1.00 0.00 O ATOM 752 CB PHE A 51 -9.067 -7.364 -10.215 1.00 0.00 C ATOM 753 CG PHE A 51 -9.577 -8.189 -9.044 1.00 0.00 C ATOM 754 CD1 PHE A 51 -9.156 -7.924 -7.724 1.00 0.00 C ATOM 755 CD2 PHE A 51 -10.354 -9.336 -9.301 1.00 0.00 C ATOM 756 CE1 PHE A 51 -9.532 -8.777 -6.674 1.00 0.00 C ATOM 757 CE2 PHE A 51 -10.697 -10.210 -8.255 1.00 0.00 C ATOM 758 CZ PHE A 51 -10.271 -9.938 -6.946 1.00 0.00 C ATOM 0 HA PHE A 51 -8.759 -5.619 -9.003 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.702 -7.576 -11.075 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.066 -7.718 -10.463 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.541 -7.060 -7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.688 -9.545 -10.307 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -9.253 -8.540 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -11.288 -11.091 -8.459 1.00 0.00 H new ATOM 0 HZ PHE A 51 -10.512 -10.623 -6.147 1.00 0.00 H new ATOM 768 N PRO A 52 -6.638 -5.505 -10.832 1.00 0.00 N ATOM 769 CA PRO A 52 -6.030 -6.318 -9.782 1.00 0.00 C ATOM 770 C PRO A 52 -5.019 -5.573 -8.903 1.00 0.00 C ATOM 771 O PRO A 52 -4.766 -6.007 -7.785 1.00 0.00 O ATOM 772 CB PRO A 52 -5.246 -7.370 -10.576 1.00 0.00 C ATOM 773 CG PRO A 52 -4.690 -6.557 -11.750 1.00 0.00 C ATOM 774 CD PRO A 52 -5.771 -5.499 -12.005 1.00 0.00 C ATOM 0 HA PRO A 52 -6.801 -6.683 -9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.451 -7.818 -9.980 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.888 -8.184 -10.914 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.732 -6.099 -11.502 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.527 -7.182 -12.628 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.325 -4.516 -12.153 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.337 -5.731 -12.907 1.00 0.00 H new ATOM 782 N SER A 53 -4.417 -4.487 -9.389 1.00 0.00 N ATOM 783 CA SER A 53 -3.254 -3.870 -8.780 1.00 0.00 C ATOM 784 C SER A 53 -3.459 -2.843 -7.664 1.00 0.00 C ATOM 785 O SER A 53 -4.514 -2.226 -7.525 1.00 0.00 O ATOM 786 CB SER A 53 -2.424 -3.285 -9.935 1.00 0.00 C ATOM 787 OG SER A 53 -3.276 -2.849 -10.986 1.00 0.00 O ATOM 0 H SER A 53 -4.735 -4.008 -10.232 1.00 0.00 H new ATOM 0 HA SER A 53 -2.754 -4.661 -8.222 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.825 -2.449 -9.574 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.729 -4.037 -10.309 1.00 0.00 H new ATOM 0 HG SER A 53 -2.734 -2.478 -11.713 1.00 0.00 H new ATOM 793 N PHE A 54 -2.380 -2.638 -6.891 1.00 0.00 N ATOM 794 CA PHE A 54 -2.288 -1.581 -5.894 1.00 0.00 C ATOM 795 C PHE A 54 -2.038 -0.321 -6.704 1.00 0.00 C ATOM 796 O PHE A 54 -1.017 -0.221 -7.393 1.00 0.00 O ATOM 797 CB PHE A 54 -1.066 -1.737 -4.968 1.00 0.00 C ATOM 798 CG PHE A 54 -1.144 -2.725 -3.826 1.00 0.00 C ATOM 799 CD1 PHE A 54 -2.225 -2.687 -2.924 1.00 0.00 C ATOM 800 CD2 PHE A 54 -0.008 -3.496 -3.509 1.00 0.00 C ATOM 801 CE1 PHE A 54 -2.261 -3.578 -1.838 1.00 0.00 C ATOM 802 CE2 PHE A 54 0.006 -4.292 -2.353 1.00 0.00 C ATOM 803 CZ PHE A 54 -1.128 -4.346 -1.529 1.00 0.00 C ATOM 0 H PHE A 54 -1.540 -3.214 -6.949 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.185 -1.583 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.214 -2.015 -5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.845 -0.758 -4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.024 -1.975 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.855 -3.474 -4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.158 -3.671 -1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.888 -4.861 -2.099 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.129 -4.980 -0.655 1.00 0.00 H new ATOM 813 N GLU A 55 -2.973 0.618 -6.630 1.00 0.00 N ATOM 814 CA GLU A 55 -2.910 1.866 -7.346 1.00 0.00 C ATOM 815 C GLU A 55 -2.466 2.882 -6.293 1.00 0.00 C ATOM 816 O GLU A 55 -3.247 3.231 -5.411 1.00 0.00 O ATOM 817 CB GLU A 55 -4.270 2.146 -7.998 1.00 0.00 C ATOM 818 CG GLU A 55 -5.076 0.874 -8.331 1.00 0.00 C ATOM 819 CD GLU A 55 -6.335 1.165 -9.130 1.00 0.00 C ATOM 820 OE1 GLU A 55 -7.424 1.200 -8.558 1.00 0.00 O ATOM 821 OE2 GLU A 55 -6.157 1.353 -10.463 1.00 0.00 O ATOM 0 H GLU A 55 -3.810 0.522 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.208 1.887 -8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.860 2.774 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.113 2.715 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.445 0.187 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.348 0.369 -7.404 1.00 0.00 H new ATOM 829 N VAL A 56 -1.194 3.284 -6.313 1.00 0.00 N ATOM 830 CA VAL A 56 -0.613 4.097 -5.249 1.00 0.00 C ATOM 831 C VAL A 56 -0.364 5.517 -5.751 1.00 0.00 C ATOM 832 O VAL A 56 0.520 5.738 -6.585 1.00 0.00 O ATOM 833 CB VAL A 56 0.660 3.436 -4.695 1.00 0.00 C ATOM 834 CG1 VAL A 56 1.102 4.080 -3.373 1.00 0.00 C ATOM 835 CG2 VAL A 56 0.480 1.927 -4.468 1.00 0.00 C ATOM 0 H VAL A 56 -0.543 3.055 -7.064 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.318 4.164 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 56 1.428 3.591 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.005 3.587 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.307 5.138 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.309 3.973 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.406 1.505 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.326 1.760 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.232 1.444 -5.413 1.00 0.00 H new ATOM 845 N HIS A 57 -1.107 6.479 -5.197 1.00 0.00 N ATOM 846 CA HIS A 57 -1.127 7.883 -5.591 1.00 0.00 C ATOM 847 C HIS A 57 -0.841 8.114 -7.081 1.00 0.00 C ATOM 848 O HIS A 57 -1.715 7.897 -7.916 1.00 0.00 O ATOM 849 CB HIS A 57 -0.301 8.768 -4.639 1.00 0.00 C ATOM 850 CG HIS A 57 1.050 8.255 -4.198 1.00 0.00 C ATOM 851 ND1 HIS A 57 1.890 7.397 -4.886 1.00 0.00 N ATOM 852 CD2 HIS A 57 1.653 8.564 -3.010 1.00 0.00 C ATOM 853 CE1 HIS A 57 2.974 7.179 -4.123 1.00 0.00 C ATOM 854 NE2 HIS A 57 2.853 7.887 -2.985 1.00 0.00 N ATOM 0 H HIS A 57 -1.742 6.286 -4.422 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.159 8.216 -5.475 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.152 9.733 -5.123 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.899 8.949 -3.746 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.717 7.000 -5.809 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.264 9.213 -2.240 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.806 6.540 -4.381 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.537 7.917 -2.229 1.00 0.00 H new ATOM 863 N ASP A 58 0.367 8.574 -7.415 1.00 0.00 N ATOM 864 CA ASP A 58 0.718 8.954 -8.775 1.00 0.00 C ATOM 865 C ASP A 58 0.762 7.783 -9.765 1.00 0.00 C ATOM 866 O ASP A 58 0.664 8.028 -10.964 1.00 0.00 O ATOM 867 CB ASP A 58 2.060 9.698 -8.768 1.00 0.00 C ATOM 868 CG ASP A 58 2.418 10.194 -10.162 1.00 0.00 C ATOM 869 OD1 ASP A 58 3.342 9.669 -10.775 1.00 0.00 O ATOM 870 OD2 ASP A 58 1.673 11.225 -10.635 1.00 0.00 O ATOM 0 H ASP A 58 1.127 8.692 -6.745 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.081 9.605 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.008 10.542 -8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.845 9.036 -8.401 1.00 0.00 H new ATOM 876 N LYS A 59 0.975 6.543 -9.306 1.00 0.00 N ATOM 877 CA LYS A 59 1.158 5.400 -10.199 1.00 0.00 C ATOM 878 C LYS A 59 0.430 4.160 -9.673 1.00 0.00 C ATOM 879 O LYS A 59 -0.413 4.241 -8.783 1.00 0.00 O ATOM 880 CB LYS A 59 2.658 5.088 -10.378 1.00 0.00 C ATOM 881 CG LYS A 59 3.591 6.308 -10.362 1.00 0.00 C ATOM 882 CD LYS A 59 4.948 5.953 -10.980 1.00 0.00 C ATOM 883 CE LYS A 59 5.819 7.199 -11.156 1.00 0.00 C ATOM 884 NZ LYS A 59 5.285 8.107 -12.186 1.00 0.00 N ATOM 0 H LYS A 59 1.024 6.309 -8.314 1.00 0.00 H new ATOM 0 HA LYS A 59 0.729 5.666 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.967 4.405 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.792 4.562 -11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.136 7.129 -10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.730 6.654 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.463 5.233 -10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.796 5.473 -11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.888 7.729 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.831 6.898 -11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.066 8.647 -12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.806 7.552 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.606 8.764 -11.751 1.00 0.00 H new ATOM 898 N LYS A 60 0.773 2.990 -10.217 1.00 0.00 N ATOM 899 CA LYS A 60 0.304 1.706 -9.734 1.00 0.00 C ATOM 900 C LYS A 60 1.538 0.860 -9.457 1.00 0.00 C ATOM 901 O LYS A 60 2.451 0.831 -10.278 1.00 0.00 O ATOM 902 CB LYS A 60 -0.646 1.043 -10.734 1.00 0.00 C ATOM 903 CG LYS A 60 -1.775 1.988 -11.171 1.00 0.00 C ATOM 904 CD LYS A 60 -3.009 1.222 -11.669 1.00 0.00 C ATOM 905 CE LYS A 60 -2.726 0.413 -12.938 1.00 0.00 C ATOM 906 NZ LYS A 60 -3.924 -0.333 -13.363 1.00 0.00 N ATOM 0 H LYS A 60 1.397 2.916 -11.021 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.279 1.824 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.083 0.722 -11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.076 0.147 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.058 2.625 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.412 2.644 -11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.357 0.550 -10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.816 1.928 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.407 1.082 -13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.906 -0.281 -12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.709 -0.874 -14.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.212 -0.987 -12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.698 0.334 -13.557 1.00 0.00 H new ATOM 920 N ASN A 61 1.587 0.245 -8.272 1.00 0.00 N ATOM 921 CA ASN A 61 2.740 -0.508 -7.784 1.00 0.00 C ATOM 922 C ASN A 61 4.061 0.272 -7.967 1.00 0.00 C ATOM 923 O ASN A 61 5.046 -0.301 -8.434 1.00 0.00 O ATOM 924 CB ASN A 61 2.817 -1.858 -8.512 1.00 0.00 C ATOM 925 CG ASN A 61 1.722 -2.871 -8.193 1.00 0.00 C ATOM 926 OD1 ASN A 61 2.031 -4.038 -7.974 1.00 0.00 O ATOM 927 ND2 ASN A 61 0.434 -2.520 -8.209 1.00 0.00 N ATOM 0 H ASN A 61 0.808 0.259 -7.613 1.00 0.00 H new ATOM 0 HA ASN A 61 2.606 -0.671 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.802 -1.667 -9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.780 -2.314 -8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.288 -3.221 -8.040 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.172 -1.551 -8.391 1.00 0.00 H new ATOM 934 N PRO A 62 4.134 1.573 -7.634 1.00 0.00 N ATOM 935 CA PRO A 62 5.360 2.328 -7.811 1.00 0.00 C ATOM 936 C PRO A 62 6.447 1.837 -6.867 1.00 0.00 C ATOM 937 O PRO A 62 6.179 1.308 -5.788 1.00 0.00 O ATOM 938 CB PRO A 62 5.026 3.783 -7.480 1.00 0.00 C ATOM 939 CG PRO A 62 3.839 3.658 -6.529 1.00 0.00 C ATOM 940 CD PRO A 62 3.115 2.405 -7.024 1.00 0.00 C ATOM 0 HA PRO A 62 5.731 2.213 -8.830 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.867 4.293 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.768 4.351 -8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.164 3.551 -5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.196 4.537 -6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.627 1.884 -6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.338 2.662 -7.744 1.00 0.00 H new ATOM 948 N THR A 63 7.687 2.064 -7.280 1.00 0.00 N ATOM 949 CA THR A 63 8.857 1.842 -6.461 1.00 0.00 C ATOM 950 C THR A 63 9.070 3.140 -5.680 1.00 0.00 C ATOM 951 O THR A 63 8.949 4.210 -6.271 1.00 0.00 O ATOM 952 CB THR A 63 10.009 1.502 -7.406 1.00 0.00 C ATOM 953 OG1 THR A 63 9.758 0.221 -7.950 1.00 0.00 O ATOM 954 CG2 THR A 63 11.347 1.502 -6.681 1.00 0.00 C ATOM 0 H THR A 63 7.905 2.414 -8.213 1.00 0.00 H new ATOM 0 HA THR A 63 8.769 1.020 -5.750 1.00 0.00 H new ATOM 0 HB THR A 63 10.066 2.257 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.391 0.045 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.142 1.256 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.531 2.489 -6.256 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.328 0.761 -5.882 1.00 0.00 H new ATOM 962 N LEU A 64 9.317 3.072 -4.369 1.00 0.00 N ATOM 963 CA LEU A 64 9.428 4.247 -3.509 1.00 0.00 C ATOM 964 C LEU A 64 10.866 4.426 -3.015 1.00 0.00 C ATOM 965 O LEU A 64 11.440 3.487 -2.471 1.00 0.00 O ATOM 966 CB LEU A 64 8.496 4.114 -2.295 1.00 0.00 C ATOM 967 CG LEU A 64 7.046 4.540 -2.564 1.00 0.00 C ATOM 968 CD1 LEU A 64 6.310 3.587 -3.508 1.00 0.00 C ATOM 969 CD2 LEU A 64 6.292 4.599 -1.232 1.00 0.00 C ATOM 0 H LEU A 64 9.446 2.190 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 64 9.140 5.118 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.502 3.077 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.894 4.716 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 64 7.078 5.516 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.290 3.941 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.828 3.552 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.286 2.589 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.260 4.901 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.306 3.616 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.773 5.323 -0.574 1.00 0.00 H new ATOM 981 N GLU A 65 11.434 5.627 -3.182 1.00 0.00 N ATOM 982 CA GLU A 65 12.725 6.014 -2.619 1.00 0.00 C ATOM 983 C GLU A 65 12.431 6.826 -1.355 1.00 0.00 C ATOM 984 O GLU A 65 11.821 7.894 -1.431 1.00 0.00 O ATOM 985 CB GLU A 65 13.548 6.799 -3.644 1.00 0.00 C ATOM 986 CG GLU A 65 13.811 5.923 -4.874 1.00 0.00 C ATOM 987 CD GLU A 65 14.738 6.593 -5.879 1.00 0.00 C ATOM 988 OE1 GLU A 65 15.821 6.072 -6.123 1.00 0.00 O ATOM 989 OE2 GLU A 65 14.289 7.741 -6.454 1.00 0.00 O ATOM 0 H GLU A 65 10.995 6.370 -3.725 1.00 0.00 H new ATOM 0 HA GLU A 65 13.328 5.143 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.015 7.704 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.493 7.115 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.249 4.977 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.863 5.689 -5.359 1.00 0.00 H new ATOM 997 N ILE A 66 12.842 6.308 -0.196 1.00 0.00 N ATOM 998 CA ILE A 66 12.474 6.822 1.114 1.00 0.00 C ATOM 999 C ILE A 66 13.683 7.257 1.961 1.00 0.00 C ATOM 1000 O ILE A 66 14.724 6.597 1.941 1.00 0.00 O ATOM 1001 CB ILE A 66 11.681 5.691 1.801 1.00 0.00 C ATOM 1002 CG1 ILE A 66 10.320 5.530 1.093 1.00 0.00 C ATOM 1003 CG2 ILE A 66 11.492 5.920 3.307 1.00 0.00 C ATOM 1004 CD1 ILE A 66 9.373 4.527 1.759 1.00 0.00 C ATOM 0 H ILE A 66 13.458 5.496 -0.147 1.00 0.00 H new ATOM 0 HA ILE A 66 11.881 7.730 1.007 1.00 0.00 H new ATOM 0 HB ILE A 66 12.261 4.773 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.829 6.502 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.495 5.217 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.927 5.091 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.467 5.982 3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.948 6.851 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.441 4.477 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.840 3.542 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.163 4.847 2.780 1.00 0.00 H new ATOM 1016 N PRO A 67 13.561 8.351 2.734 1.00 0.00 N ATOM 1017 CA PRO A 67 14.570 8.739 3.702 1.00 0.00 C ATOM 1018 C PRO A 67 14.417 7.872 4.966 1.00 0.00 C ATOM 1019 O PRO A 67 13.371 7.868 5.614 1.00 0.00 O ATOM 1020 CB PRO A 67 14.352 10.230 3.966 1.00 0.00 C ATOM 1021 CG PRO A 67 12.887 10.475 3.616 1.00 0.00 C ATOM 1022 CD PRO A 67 12.532 9.374 2.617 1.00 0.00 C ATOM 0 HA PRO A 67 15.589 8.582 3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.558 10.482 5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.013 10.842 3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.255 10.423 4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.745 11.464 3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.548 8.959 2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.495 9.770 1.602 1.00 0.00 H new ATOM 1030 N ALA A 68 15.464 7.117 5.301 1.00 0.00 N ATOM 1031 CA ALA A 68 15.561 6.269 6.483 1.00 0.00 C ATOM 1032 C ALA A 68 15.091 6.992 7.745 1.00 0.00 C ATOM 1033 O ALA A 68 15.357 8.178 7.927 1.00 0.00 O ATOM 1034 CB ALA A 68 17.010 5.799 6.651 1.00 0.00 C ATOM 0 H ALA A 68 16.306 7.081 4.726 1.00 0.00 H new ATOM 0 HA ALA A 68 14.905 5.410 6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.087 5.165 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.313 5.233 5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.662 6.665 6.769 1.00 0.00 H new ATOM 1040 N GLY A 69 14.381 6.275 8.621 1.00 0.00 N ATOM 1041 CA GLY A 69 13.884 6.840 9.865 1.00 0.00 C ATOM 1042 C GLY A 69 12.650 7.730 9.685 1.00 0.00 C ATOM 1043 O GLY A 69 12.083 8.174 10.681 1.00 0.00 O ATOM 0 H GLY A 69 14.139 5.294 8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.639 6.029 10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.677 7.424 10.332 1.00 0.00 H new ATOM 1047 N ALA A 70 12.210 8.003 8.451 1.00 0.00 N ATOM 1048 CA ALA A 70 10.975 8.743 8.238 1.00 0.00 C ATOM 1049 C ALA A 70 9.775 7.982 8.801 1.00 0.00 C ATOM 1050 O ALA A 70 9.793 6.760 8.906 1.00 0.00 O ATOM 1051 CB ALA A 70 10.786 8.980 6.746 1.00 0.00 C ATOM 0 H ALA A 70 12.690 7.723 7.596 1.00 0.00 H new ATOM 0 HA ALA A 70 11.043 9.697 8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.862 9.534 6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.628 9.554 6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.732 8.022 6.229 1.00 0.00 H new ATOM 1057 N THR A 71 8.713 8.707 9.137 1.00 0.00 N ATOM 1058 CA THR A 71 7.466 8.111 9.567 1.00 0.00 C ATOM 1059 C THR A 71 6.678 7.745 8.309 1.00 0.00 C ATOM 1060 O THR A 71 6.021 8.587 7.696 1.00 0.00 O ATOM 1061 CB THR A 71 6.741 9.077 10.509 1.00 0.00 C ATOM 1062 OG1 THR A 71 7.599 9.382 11.594 1.00 0.00 O ATOM 1063 CG2 THR A 71 5.483 8.426 11.076 1.00 0.00 C ATOM 0 H THR A 71 8.699 9.727 9.117 1.00 0.00 H new ATOM 0 HA THR A 71 7.611 7.196 10.142 1.00 0.00 H new ATOM 0 HB THR A 71 6.470 9.974 9.952 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.729 8.581 12.143 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.980 9.126 11.743 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.813 8.158 10.260 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.756 7.529 11.631 1.00 0.00 H new ATOM 1071 N VAL A 72 6.788 6.478 7.910 1.00 0.00 N ATOM 1072 CA VAL A 72 6.116 5.911 6.760 1.00 0.00 C ATOM 1073 C VAL A 72 4.677 5.601 7.159 1.00 0.00 C ATOM 1074 O VAL A 72 4.415 4.592 7.808 1.00 0.00 O ATOM 1075 CB VAL A 72 6.885 4.677 6.253 1.00 0.00 C ATOM 1076 CG1 VAL A 72 6.171 4.081 5.035 1.00 0.00 C ATOM 1077 CG2 VAL A 72 8.285 5.089 5.785 1.00 0.00 C ATOM 0 H VAL A 72 7.371 5.801 8.402 1.00 0.00 H new ATOM 0 HA VAL A 72 6.093 6.614 5.927 1.00 0.00 H new ATOM 0 HB VAL A 72 6.940 3.956 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.721 3.209 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.160 3.784 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.123 4.826 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.822 4.211 5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.199 5.815 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.830 5.535 6.617 1.00 0.00 H new ATOM 1087 N ASP A 73 3.751 6.485 6.781 1.00 0.00 N ATOM 1088 CA ASP A 73 2.323 6.299 6.967 1.00 0.00 C ATOM 1089 C ASP A 73 1.758 5.654 5.711 1.00 0.00 C ATOM 1090 O ASP A 73 1.323 6.346 4.782 1.00 0.00 O ATOM 1091 CB ASP A 73 1.631 7.628 7.302 1.00 0.00 C ATOM 1092 CG ASP A 73 1.591 7.838 8.804 1.00 0.00 C ATOM 1093 OD1 ASP A 73 2.410 8.573 9.346 1.00 0.00 O ATOM 1094 OD2 ASP A 73 0.612 7.150 9.447 1.00 0.00 O ATOM 0 H ASP A 73 3.986 7.368 6.327 1.00 0.00 H new ATOM 0 HA ASP A 73 2.137 5.642 7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.163 8.452 6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.618 7.629 6.901 1.00 0.00 H new ATOM 1100 N VAL A 74 1.715 4.321 5.710 1.00 0.00 N ATOM 1101 CA VAL A 74 1.142 3.569 4.616 1.00 0.00 C ATOM 1102 C VAL A 74 -0.360 3.687 4.806 1.00 0.00 C ATOM 1103 O VAL A 74 -0.944 3.085 5.706 1.00 0.00 O ATOM 1104 CB VAL A 74 1.617 2.115 4.618 1.00 0.00 C ATOM 1105 CG1 VAL A 74 1.077 1.393 3.376 1.00 0.00 C ATOM 1106 CG2 VAL A 74 3.141 2.008 4.646 1.00 0.00 C ATOM 0 H VAL A 74 2.077 3.743 6.469 1.00 0.00 H new ATOM 0 HA VAL A 74 1.452 3.957 3.646 1.00 0.00 H new ATOM 0 HB VAL A 74 1.234 1.646 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.417 0.357 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.013 1.417 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.442 1.891 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.432 0.958 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.556 2.499 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.523 2.491 5.545 1.00 0.00 H new ATOM 1116 N THR A 75 -0.944 4.550 3.983 1.00 0.00 N ATOM 1117 CA THR A 75 -2.320 4.971 4.035 1.00 0.00 C ATOM 1118 C THR A 75 -3.111 4.223 2.981 1.00 0.00 C ATOM 1119 O THR A 75 -3.119 4.594 1.809 1.00 0.00 O ATOM 1120 CB THR A 75 -2.354 6.490 3.882 1.00 0.00 C ATOM 1121 OG1 THR A 75 -1.500 7.016 4.887 1.00 0.00 O ATOM 1122 CG2 THR A 75 -3.785 7.015 4.043 1.00 0.00 C ATOM 0 H THR A 75 -0.432 4.994 3.221 1.00 0.00 H new ATOM 0 HA THR A 75 -2.791 4.732 4.988 1.00 0.00 H new ATOM 0 HB THR A 75 -2.018 6.796 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.038 7.473 5.567 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.790 8.099 3.931 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.424 6.569 3.281 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.160 6.751 5.032 1.00 0.00 H new ATOM 1130 N PHE A 76 -3.788 3.162 3.410 1.00 0.00 N ATOM 1131 CA PHE A 76 -4.590 2.374 2.499 1.00 0.00 C ATOM 1132 C PHE A 76 -5.918 3.031 2.175 1.00 0.00 C ATOM 1133 O PHE A 76 -6.434 3.807 2.966 1.00 0.00 O ATOM 1134 CB PHE A 76 -4.970 1.027 3.137 1.00 0.00 C ATOM 1135 CG PHE A 76 -4.067 -0.159 2.888 1.00 0.00 C ATOM 1136 CD1 PHE A 76 -3.792 -0.463 1.542 1.00 0.00 C ATOM 1137 CD2 PHE A 76 -4.119 -1.220 3.815 1.00 0.00 C ATOM 1138 CE1 PHE A 76 -3.912 -1.777 1.080 1.00 0.00 C ATOM 1139 CE2 PHE A 76 -4.162 -2.550 3.360 1.00 0.00 C ATOM 1140 CZ PHE A 76 -4.180 -2.815 1.981 1.00 0.00 C ATOM 0 H PHE A 76 -3.794 2.835 4.376 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.978 2.264 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.036 1.175 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.969 0.764 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.487 0.321 0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.126 -1.011 4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.798 -1.992 0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.181 -3.365 4.069 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.398 -3.809 1.619 1.00 0.00 H new ATOM 1150 N ILE A 77 -6.457 2.636 1.022 1.00 0.00 N ATOM 1151 CA ILE A 77 -7.826 2.829 0.583 1.00 0.00 C ATOM 1152 C ILE A 77 -8.132 1.478 -0.073 1.00 0.00 C ATOM 1153 O ILE A 77 -8.021 1.312 -1.286 1.00 0.00 O ATOM 1154 CB ILE A 77 -8.055 4.061 -0.318 1.00 0.00 C ATOM 1155 CG1 ILE A 77 -7.929 5.373 0.480 1.00 0.00 C ATOM 1156 CG2 ILE A 77 -9.490 4.029 -0.863 1.00 0.00 C ATOM 1157 CD1 ILE A 77 -6.594 6.066 0.205 1.00 0.00 C ATOM 0 H ILE A 77 -5.903 2.138 0.325 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.509 3.077 1.396 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.307 4.027 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.749 6.041 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.019 5.163 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.657 4.898 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.638 3.119 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.195 4.048 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.537 6.988 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.775 5.406 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.517 6.298 -0.857 1.00 0.00 H new ATOM 1169 N ASN A 78 -8.408 0.466 0.753 1.00 0.00 N ATOM 1170 CA ASN A 78 -8.749 -0.872 0.288 1.00 0.00 C ATOM 1171 C ASN A 78 -10.273 -0.958 0.300 1.00 0.00 C ATOM 1172 O ASN A 78 -10.886 -1.044 1.358 1.00 0.00 O ATOM 1173 CB ASN A 78 -8.008 -1.963 1.099 1.00 0.00 C ATOM 1174 CG ASN A 78 -8.809 -3.260 1.213 1.00 0.00 C ATOM 1175 OD1 ASN A 78 -9.448 -3.694 0.259 1.00 0.00 O ATOM 1176 ND2 ASN A 78 -8.769 -3.895 2.376 1.00 0.00 N ATOM 0 H ASN A 78 -8.400 0.557 1.769 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.407 -1.060 -0.730 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.049 -2.174 0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.794 -1.584 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.279 -4.770 2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.229 -3.508 3.150 1.00 0.00 H new ATOM 1183 N THR A 79 -10.902 -0.833 -0.873 1.00 0.00 N ATOM 1184 CA THR A 79 -12.354 -0.887 -1.029 1.00 0.00 C ATOM 1185 C THR A 79 -12.679 -1.488 -2.399 1.00 0.00 C ATOM 1186 O THR A 79 -13.416 -0.924 -3.202 1.00 0.00 O ATOM 1187 CB THR A 79 -12.989 0.493 -0.758 1.00 0.00 C ATOM 1188 OG1 THR A 79 -12.587 0.950 0.521 1.00 0.00 O ATOM 1189 CG2 THR A 79 -14.523 0.469 -0.755 1.00 0.00 C ATOM 0 H THR A 79 -10.406 -0.689 -1.753 1.00 0.00 H new ATOM 0 HA THR A 79 -12.804 -1.543 -0.284 1.00 0.00 H new ATOM 0 HB THR A 79 -12.652 1.143 -1.565 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.104 1.797 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.902 1.472 -0.558 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.883 0.129 -1.726 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.875 -0.210 0.021 1.00 0.00 H new ATOM 1197 N ASN A 80 -12.120 -2.676 -2.643 1.00 0.00 N ATOM 1198 CA ASN A 80 -12.417 -3.475 -3.830 1.00 0.00 C ATOM 1199 C ASN A 80 -13.820 -4.081 -3.711 1.00 0.00 C ATOM 1200 O ASN A 80 -14.397 -4.468 -4.723 1.00 0.00 O ATOM 1201 CB ASN A 80 -11.362 -4.584 -3.943 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.209 -5.253 -5.316 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -10.119 -5.720 -5.626 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -12.235 -5.330 -6.155 1.00 0.00 N ATOM 0 H ASN A 80 -11.444 -3.112 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.390 -2.850 -4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.397 -4.165 -3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.601 -5.357 -3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.119 -5.780 -7.063 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.140 -4.940 -5.891 1.00 0.00 H new ATOM 1211 N LYS A 81 -14.348 -4.151 -2.480 1.00 0.00 N ATOM 1212 CA LYS A 81 -15.599 -4.790 -2.081 1.00 0.00 C ATOM 1213 C LYS A 81 -15.317 -6.291 -1.928 1.00 0.00 C ATOM 1214 O LYS A 81 -14.832 -6.926 -2.863 1.00 0.00 O ATOM 1215 CB LYS A 81 -16.768 -4.528 -3.048 1.00 0.00 C ATOM 1216 CG LYS A 81 -16.945 -3.047 -3.419 1.00 0.00 C ATOM 1217 CD LYS A 81 -18.142 -2.887 -4.366 1.00 0.00 C ATOM 1218 CE LYS A 81 -18.092 -1.555 -5.123 1.00 0.00 C ATOM 1219 NZ LYS A 81 -18.019 -0.404 -4.207 1.00 0.00 N ATOM 0 H LYS A 81 -13.872 -3.729 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.930 -4.355 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -16.610 -5.105 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -17.690 -4.893 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -17.100 -2.453 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.040 -2.672 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -18.154 -3.711 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -19.068 -2.946 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.227 -1.547 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -18.977 -1.462 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.140 0.477 -4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.772 -0.480 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.093 -0.395 -3.734 1.00 0.00 H new ATOM 1233 N GLY A 82 -15.553 -6.861 -0.742 1.00 0.00 N ATOM 1234 CA GLY A 82 -15.352 -8.287 -0.492 1.00 0.00 C ATOM 1235 C GLY A 82 -13.874 -8.662 -0.327 1.00 0.00 C ATOM 1236 O GLY A 82 -13.484 -9.252 0.681 1.00 0.00 O ATOM 0 H GLY A 82 -15.889 -6.344 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.897 -8.573 0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.777 -8.859 -1.317 1.00 0.00 H new ATOM 1240 N PHE A 83 -13.029 -8.308 -1.297 1.00 0.00 N ATOM 1241 CA PHE A 83 -11.629 -8.703 -1.305 1.00 0.00 C ATOM 1242 C PHE A 83 -10.816 -7.830 -0.352 1.00 0.00 C ATOM 1243 O PHE A 83 -10.133 -6.907 -0.789 1.00 0.00 O ATOM 1244 CB PHE A 83 -11.078 -8.636 -2.734 1.00 0.00 C ATOM 1245 CG PHE A 83 -11.813 -9.536 -3.703 1.00 0.00 C ATOM 1246 CD1 PHE A 83 -11.650 -10.931 -3.618 1.00 0.00 C ATOM 1247 CD2 PHE A 83 -12.717 -8.992 -4.636 1.00 0.00 C ATOM 1248 CE1 PHE A 83 -12.375 -11.779 -4.471 1.00 0.00 C ATOM 1249 CE2 PHE A 83 -13.440 -9.841 -5.490 1.00 0.00 C ATOM 1250 CZ PHE A 83 -13.271 -11.235 -5.409 1.00 0.00 C ATOM 0 H PHE A 83 -13.302 -7.738 -2.098 1.00 0.00 H new ATOM 0 HA PHE A 83 -11.547 -9.732 -0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.135 -7.607 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -10.023 -8.911 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -10.966 -11.351 -2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.854 -7.922 -4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.245 -12.849 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.127 -9.423 -6.210 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.828 -11.887 -6.066 1.00 0.00 H new ATOM 1260 N GLY A 84 -10.897 -8.146 0.944 1.00 0.00 N ATOM 1261 CA GLY A 84 -10.131 -7.549 2.036 1.00 0.00 C ATOM 1262 C GLY A 84 -8.628 -7.549 1.768 1.00 0.00 C ATOM 1263 O GLY A 84 -7.910 -8.382 2.312 1.00 0.00 O ATOM 0 H GLY A 84 -11.537 -8.868 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.468 -6.524 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.332 -8.096 2.957 1.00 0.00 H new ATOM 1267 N HIS A 85 -8.127 -6.638 0.931 1.00 0.00 N ATOM 1268 CA HIS A 85 -6.708 -6.589 0.636 1.00 0.00 C ATOM 1269 C HIS A 85 -5.891 -6.271 1.891 1.00 0.00 C ATOM 1270 O HIS A 85 -6.287 -5.492 2.757 1.00 0.00 O ATOM 1271 CB HIS A 85 -6.389 -5.572 -0.466 1.00 0.00 C ATOM 1272 CG HIS A 85 -6.996 -5.885 -1.810 1.00 0.00 C ATOM 1273 ND1 HIS A 85 -6.532 -6.811 -2.754 1.00 0.00 N ATOM 1274 CD2 HIS A 85 -8.030 -5.182 -2.363 1.00 0.00 C ATOM 1275 CE1 HIS A 85 -7.294 -6.637 -3.839 1.00 0.00 C ATOM 1276 NE2 HIS A 85 -8.196 -5.673 -3.632 1.00 0.00 N ATOM 0 H HIS A 85 -8.685 -5.932 0.452 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.428 -7.579 0.276 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -6.736 -4.590 -0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.307 -5.506 -0.578 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.770 -7.480 -2.638 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -8.602 -4.396 -1.893 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.194 -7.198 -4.756 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -8.892 -5.355 -4.306 1.00 0.00 H new ATOM 1284 N SER A 86 -4.721 -6.890 1.957 1.00 0.00 N ATOM 1285 CA SER A 86 -3.682 -6.683 2.938 1.00 0.00 C ATOM 1286 C SER A 86 -2.572 -5.918 2.222 1.00 0.00 C ATOM 1287 O SER A 86 -2.482 -5.997 0.998 1.00 0.00 O ATOM 1288 CB SER A 86 -3.190 -8.070 3.352 1.00 0.00 C ATOM 1289 OG SER A 86 -3.221 -8.951 2.238 1.00 0.00 O ATOM 0 H SER A 86 -4.461 -7.601 1.273 1.00 0.00 H new ATOM 0 HA SER A 86 -4.012 -6.132 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.175 -8.002 3.744 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.816 -8.462 4.153 1.00 0.00 H new ATOM 0 HG SER A 86 -3.817 -9.704 2.433 1.00 0.00 H new ATOM 1295 N PHE A 87 -1.753 -5.163 2.953 1.00 0.00 N ATOM 1296 CA PHE A 87 -0.567 -4.507 2.423 1.00 0.00 C ATOM 1297 C PHE A 87 0.528 -4.778 3.435 1.00 0.00 C ATOM 1298 O PHE A 87 0.441 -4.262 4.553 1.00 0.00 O ATOM 1299 CB PHE A 87 -0.793 -3.004 2.247 1.00 0.00 C ATOM 1300 CG PHE A 87 0.282 -2.245 1.483 1.00 0.00 C ATOM 1301 CD1 PHE A 87 1.564 -2.068 2.036 1.00 0.00 C ATOM 1302 CD2 PHE A 87 -0.028 -1.634 0.252 1.00 0.00 C ATOM 1303 CE1 PHE A 87 2.520 -1.279 1.373 1.00 0.00 C ATOM 1304 CE2 PHE A 87 0.938 -0.873 -0.427 1.00 0.00 C ATOM 1305 CZ PHE A 87 2.207 -0.679 0.143 1.00 0.00 C ATOM 0 H PHE A 87 -1.901 -4.989 3.947 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.308 -4.887 1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.744 -2.859 1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.892 -2.555 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.815 -2.541 2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.014 -1.751 -0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.497 -1.134 1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.705 -0.437 -1.387 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.940 -0.070 -0.364 1.00 0.00 H new ATOM 1315 N ASP A 88 1.520 -5.604 3.089 1.00 0.00 N ATOM 1316 CA ASP A 88 2.544 -6.011 4.037 1.00 0.00 C ATOM 1317 C ASP A 88 3.928 -5.829 3.433 1.00 0.00 C ATOM 1318 O ASP A 88 4.092 -5.947 2.222 1.00 0.00 O ATOM 1319 CB ASP A 88 2.302 -7.445 4.515 1.00 0.00 C ATOM 1320 CG ASP A 88 1.057 -7.603 5.378 1.00 0.00 C ATOM 1321 OD1 ASP A 88 1.172 -7.991 6.533 1.00 0.00 O ATOM 1322 OD2 ASP A 88 -0.133 -7.300 4.803 1.00 0.00 O ATOM 0 H ASP A 88 1.630 -6.001 2.156 1.00 0.00 H new ATOM 0 HA ASP A 88 2.487 -5.370 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.216 -8.098 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.171 -7.781 5.082 1.00 0.00 H new ATOM 1328 N ILE A 89 4.902 -5.524 4.293 1.00 0.00 N ATOM 1329 CA ILE A 89 6.266 -5.159 3.951 1.00 0.00 C ATOM 1330 C ILE A 89 7.237 -6.226 4.458 1.00 0.00 C ATOM 1331 O ILE A 89 7.103 -6.743 5.572 1.00 0.00 O ATOM 1332 CB ILE A 89 6.579 -3.760 4.522 1.00 0.00 C ATOM 1333 CG1 ILE A 89 5.585 -2.733 3.945 1.00 0.00 C ATOM 1334 CG2 ILE A 89 8.026 -3.363 4.197 1.00 0.00 C ATOM 1335 CD1 ILE A 89 5.788 -1.316 4.483 1.00 0.00 C ATOM 0 H ILE A 89 4.745 -5.527 5.301 1.00 0.00 H new ATOM 0 HA ILE A 89 6.383 -5.110 2.868 1.00 0.00 H new ATOM 0 HB ILE A 89 6.471 -3.781 5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.681 -2.718 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.569 -3.056 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.233 -2.374 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.710 -4.088 4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.164 -3.345 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.054 -0.647 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.663 -1.317 5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.792 -0.973 4.234 1.00 0.00 H new ATOM 1347 N THR A 90 8.220 -6.559 3.620 1.00 0.00 N ATOM 1348 CA THR A 90 9.279 -7.509 3.916 1.00 0.00 C ATOM 1349 C THR A 90 10.420 -7.252 2.937 1.00 0.00 C ATOM 1350 O THR A 90 10.540 -6.136 2.448 1.00 0.00 O ATOM 1351 CB THR A 90 8.703 -8.932 3.901 1.00 0.00 C ATOM 1352 OG1 THR A 90 9.708 -9.912 4.068 1.00 0.00 O ATOM 1353 CG2 THR A 90 7.872 -9.262 2.655 1.00 0.00 C ATOM 0 H THR A 90 8.298 -6.157 2.686 1.00 0.00 H new ATOM 0 HA THR A 90 9.695 -7.387 4.916 1.00 0.00 H new ATOM 0 HB THR A 90 8.025 -8.955 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.312 -10.726 4.445 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.503 -10.285 2.724 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.028 -8.575 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.494 -9.160 1.766 1.00 0.00 H new ATOM 1361 N LYS A 91 11.258 -8.246 2.650 1.00 0.00 N ATOM 1362 CA LYS A 91 12.353 -8.136 1.694 1.00 0.00 C ATOM 1363 C LYS A 91 12.234 -9.181 0.576 1.00 0.00 C ATOM 1364 O LYS A 91 13.149 -9.322 -0.231 1.00 0.00 O ATOM 1365 CB LYS A 91 13.695 -8.243 2.435 1.00 0.00 C ATOM 1366 CG LYS A 91 13.838 -7.146 3.502 1.00 0.00 C ATOM 1367 CD LYS A 91 15.256 -7.067 4.080 1.00 0.00 C ATOM 1368 CE LYS A 91 15.635 -8.336 4.854 1.00 0.00 C ATOM 1369 NZ LYS A 91 16.939 -8.188 5.522 1.00 0.00 N ATOM 0 H LYS A 91 11.192 -9.167 3.084 1.00 0.00 H new ATOM 0 HA LYS A 91 12.300 -7.161 1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.775 -9.223 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.514 -8.166 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.573 -6.183 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.131 -7.335 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.969 -6.910 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.330 -6.204 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.867 -8.555 5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.669 -9.185 4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.167 -9.063 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.675 -8.003 4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.898 -7.393 6.191 1.00 0.00 H new ATOM 1383 N LYS A 92 11.114 -9.911 0.505 1.00 0.00 N ATOM 1384 CA LYS A 92 10.865 -10.842 -0.586 1.00 0.00 C ATOM 1385 C LYS A 92 10.788 -10.058 -1.899 1.00 0.00 C ATOM 1386 O LYS A 92 9.866 -9.267 -2.082 1.00 0.00 O ATOM 1387 CB LYS A 92 9.556 -11.612 -0.359 1.00 0.00 C ATOM 1388 CG LYS A 92 9.557 -12.434 0.934 1.00 0.00 C ATOM 1389 CD LYS A 92 8.447 -13.499 0.966 1.00 0.00 C ATOM 1390 CE LYS A 92 7.025 -12.944 0.784 1.00 0.00 C ATOM 1391 NZ LYS A 92 6.660 -12.764 -0.633 1.00 0.00 N ATOM 0 H LYS A 92 10.366 -9.869 1.198 1.00 0.00 H new ATOM 0 HA LYS A 92 11.679 -11.565 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.726 -10.906 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.382 -12.277 -1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.525 -12.922 1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.435 -11.764 1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.641 -14.231 0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.497 -14.029 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.312 -13.621 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.944 -11.987 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.657 -13.005 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.818 -11.774 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.247 -13.386 -1.224 1.00 0.00 H new ATOM 1405 N GLY A 93 11.739 -10.275 -2.807 1.00 0.00 N ATOM 1406 CA GLY A 93 11.715 -9.676 -4.133 1.00 0.00 C ATOM 1407 C GLY A 93 10.942 -10.551 -5.120 1.00 0.00 C ATOM 1408 O GLY A 93 10.588 -11.684 -4.793 1.00 0.00 O ATOM 0 H GLY A 93 12.548 -10.873 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.256 -8.689 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.735 -9.535 -4.490 1.00 0.00 H new ATOM 1412 N PRO A 94 10.664 -10.037 -6.328 1.00 0.00 N ATOM 1413 CA PRO A 94 10.054 -10.810 -7.398 1.00 0.00 C ATOM 1414 C PRO A 94 11.056 -11.867 -7.893 1.00 0.00 C ATOM 1415 O PRO A 94 12.251 -11.741 -7.621 1.00 0.00 O ATOM 1416 CB PRO A 94 9.718 -9.782 -8.486 1.00 0.00 C ATOM 1417 CG PRO A 94 10.770 -8.692 -8.282 1.00 0.00 C ATOM 1418 CD PRO A 94 10.976 -8.689 -6.769 1.00 0.00 C ATOM 0 HA PRO A 94 9.160 -11.350 -7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.779 -10.218 -9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.707 -9.391 -8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.694 -8.919 -8.814 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.423 -7.724 -8.644 1.00 0.00 H new ATOM 0 HD2 PRO A 94 12.001 -8.421 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.326 -7.959 -6.287 1.00 0.00 H new ATOM 1426 N PRO A 95 10.618 -12.894 -8.640 1.00 0.00 N ATOM 1427 CA PRO A 95 9.252 -13.139 -9.078 1.00 0.00 C ATOM 1428 C PRO A 95 8.393 -13.652 -7.920 1.00 0.00 C ATOM 1429 O PRO A 95 8.782 -14.575 -7.209 1.00 0.00 O ATOM 1430 CB PRO A 95 9.370 -14.188 -10.187 1.00 0.00 C ATOM 1431 CG PRO A 95 10.619 -14.977 -9.795 1.00 0.00 C ATOM 1432 CD PRO A 95 11.514 -13.908 -9.167 1.00 0.00 C ATOM 0 HA PRO A 95 8.767 -12.230 -9.434 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.488 -14.827 -10.231 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.478 -13.725 -11.168 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.388 -15.776 -9.090 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.091 -15.442 -10.660 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.132 -14.332 -8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.192 -13.483 -9.907 1.00 0.00 H new ATOM 1440 N TYR A 96 7.218 -13.048 -7.735 1.00 0.00 N ATOM 1441 CA TYR A 96 6.257 -13.505 -6.748 1.00 0.00 C ATOM 1442 C TYR A 96 5.500 -14.706 -7.310 1.00 0.00 C ATOM 1443 O TYR A 96 5.449 -14.908 -8.523 1.00 0.00 O ATOM 1444 CB TYR A 96 5.316 -12.357 -6.376 1.00 0.00 C ATOM 1445 CG TYR A 96 6.037 -11.188 -5.737 1.00 0.00 C ATOM 1446 CD1 TYR A 96 6.614 -11.346 -4.465 1.00 0.00 C ATOM 1447 CD2 TYR A 96 6.266 -10.007 -6.468 1.00 0.00 C ATOM 1448 CE1 TYR A 96 7.440 -10.341 -3.936 1.00 0.00 C ATOM 1449 CE2 TYR A 96 7.100 -9.009 -5.939 1.00 0.00 C ATOM 1450 CZ TYR A 96 7.683 -9.172 -4.675 1.00 0.00 C ATOM 1451 OH TYR A 96 8.509 -8.205 -4.189 1.00 0.00 O ATOM 0 H TYR A 96 6.913 -12.232 -8.266 1.00 0.00 H new ATOM 0 HA TYR A 96 6.765 -13.820 -5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.799 -12.013 -7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.554 -12.726 -5.690 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.422 -12.242 -3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.801 -9.869 -7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.888 -10.467 -2.961 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.293 -8.112 -6.509 1.00 0.00 H new ATOM 0 HH TYR A 96 9.111 -8.594 -3.521 1.00 0.00 H new ATOM 1461 N ALA A 97 4.919 -15.509 -6.420 1.00 0.00 N ATOM 1462 CA ALA A 97 4.199 -16.723 -6.759 1.00 0.00 C ATOM 1463 C ALA A 97 2.944 -16.786 -5.899 1.00 0.00 C ATOM 1464 O ALA A 97 2.810 -16.030 -4.936 1.00 0.00 O ATOM 1465 CB ALA A 97 5.102 -17.934 -6.515 1.00 0.00 C ATOM 0 H ALA A 97 4.940 -15.323 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 97 3.911 -16.727 -7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.563 -18.847 -6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.994 -17.854 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.393 -17.965 -5.465 1.00 0.00 H new ATOM 1471 N VAL A 98 2.026 -17.688 -6.248 1.00 0.00 N ATOM 1472 CA VAL A 98 0.735 -17.841 -5.593 1.00 0.00 C ATOM 1473 C VAL A 98 0.942 -18.592 -4.266 1.00 0.00 C ATOM 1474 O VAL A 98 0.422 -19.688 -4.076 1.00 0.00 O ATOM 1475 CB VAL A 98 -0.228 -18.556 -6.569 1.00 0.00 C ATOM 1476 CG1 VAL A 98 -1.674 -18.582 -6.053 1.00 0.00 C ATOM 1477 CG2 VAL A 98 -0.237 -17.898 -7.958 1.00 0.00 C ATOM 0 H VAL A 98 2.167 -18.347 -7.014 1.00 0.00 H new ATOM 0 HA VAL A 98 0.282 -16.881 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 98 0.151 -19.575 -6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.309 -19.095 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.711 -19.109 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.030 -17.561 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.927 -18.434 -8.610 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.556 -16.860 -7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.766 -17.934 -8.384 1.00 0.00 H new ATOM 1487 N MET A 99 1.741 -18.022 -3.358 1.00 0.00 N ATOM 1488 CA MET A 99 2.146 -18.648 -2.105 1.00 0.00 C ATOM 1489 C MET A 99 2.316 -17.591 -1.008 1.00 0.00 C ATOM 1490 O MET A 99 3.321 -16.879 -1.006 1.00 0.00 O ATOM 1491 CB MET A 99 3.462 -19.411 -2.305 1.00 0.00 C ATOM 1492 CG MET A 99 3.310 -20.607 -3.255 1.00 0.00 C ATOM 1493 SD MET A 99 4.661 -21.809 -3.195 1.00 0.00 S ATOM 1494 CE MET A 99 6.056 -20.713 -3.509 1.00 0.00 C ATOM 0 H MET A 99 2.132 -17.088 -3.482 1.00 0.00 H new ATOM 0 HA MET A 99 1.369 -19.347 -1.797 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.216 -18.731 -2.701 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.825 -19.762 -1.339 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.377 -21.120 -3.022 1.00 0.00 H new ATOM 0 HG3 MET A 99 3.222 -20.233 -4.275 1.00 0.00 H new ATOM 0 HE1 MET A 99 6.949 -21.307 -3.701 1.00 0.00 H new ATOM 0 HE2 MET A 99 5.841 -20.090 -4.377 1.00 0.00 H new ATOM 0 HE3 MET A 99 6.223 -20.078 -2.639 1.00 0.00 H new ATOM 1504 N PRO A 100 1.367 -17.469 -0.066 1.00 0.00 N ATOM 1505 CA PRO A 100 1.495 -16.587 1.084 1.00 0.00 C ATOM 1506 C PRO A 100 2.630 -17.006 2.028 1.00 0.00 C ATOM 1507 O PRO A 100 2.383 -17.517 3.118 1.00 0.00 O ATOM 1508 CB PRO A 100 0.128 -16.614 1.787 1.00 0.00 C ATOM 1509 CG PRO A 100 -0.825 -16.985 0.665 1.00 0.00 C ATOM 1510 CD PRO A 100 0.008 -17.973 -0.157 1.00 0.00 C ATOM 0 HA PRO A 100 1.762 -15.579 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.104 -17.345 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.120 -15.647 2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.740 -17.441 1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.121 -16.115 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.068 -18.984 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.332 -18.013 -1.192 1.00 0.00 H new ATOM 1518 N VAL A 101 3.887 -16.751 1.657 1.00 0.00 N ATOM 1519 CA VAL A 101 5.026 -16.975 2.544 1.00 0.00 C ATOM 1520 C VAL A 101 5.055 -15.777 3.507 1.00 0.00 C ATOM 1521 O VAL A 101 5.943 -14.931 3.461 1.00 0.00 O ATOM 1522 CB VAL A 101 6.322 -17.161 1.726 1.00 0.00 C ATOM 1523 CG1 VAL A 101 7.500 -17.541 2.632 1.00 0.00 C ATOM 1524 CG2 VAL A 101 6.163 -18.280 0.686 1.00 0.00 C ATOM 0 H VAL A 101 4.141 -16.386 0.739 1.00 0.00 H new ATOM 0 HA VAL A 101 4.937 -17.895 3.122 1.00 0.00 H new ATOM 0 HB VAL A 101 6.517 -16.209 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.399 -17.665 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.663 -16.753 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.277 -18.476 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.091 -18.389 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.933 -19.217 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.352 -18.029 0.002 1.00 0.00 H new ATOM 1534 N ILE A 102 4.031 -15.700 4.364 1.00 0.00 N ATOM 1535 CA ILE A 102 3.771 -14.571 5.246 1.00 0.00 C ATOM 1536 C ILE A 102 4.571 -14.596 6.542 1.00 0.00 C ATOM 1537 O ILE A 102 4.753 -13.557 7.163 1.00 0.00 O ATOM 1538 CB ILE A 102 2.269 -14.447 5.537 1.00 0.00 C ATOM 1539 CG1 ILE A 102 1.641 -15.743 6.082 1.00 0.00 C ATOM 1540 CG2 ILE A 102 1.562 -13.943 4.272 1.00 0.00 C ATOM 1541 CD1 ILE A 102 0.258 -15.505 6.695 1.00 0.00 C ATOM 0 H ILE A 102 3.343 -16.447 4.461 1.00 0.00 H new ATOM 0 HA ILE A 102 4.112 -13.688 4.706 1.00 0.00 H new ATOM 0 HB ILE A 102 2.135 -13.723 6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.558 -16.471 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.300 -16.175 6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.493 -13.850 4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.966 -12.970 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.724 -14.650 3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.143 -16.448 7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.343 -14.798 7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.411 -15.099 5.936 1.00 0.00 H new ATOM 1553 N ASP A 103 5.020 -15.768 6.984 1.00 0.00 N ATOM 1554 CA ASP A 103 5.851 -15.885 8.181 1.00 0.00 C ATOM 1555 C ASP A 103 6.974 -14.827 8.204 1.00 0.00 C ATOM 1556 O ASP A 103 7.023 -14.032 9.141 1.00 0.00 O ATOM 1557 CB ASP A 103 6.349 -17.326 8.377 1.00 0.00 C ATOM 1558 CG ASP A 103 5.196 -18.286 8.613 1.00 0.00 C ATOM 1559 OD1 ASP A 103 4.429 -18.534 7.687 1.00 0.00 O ATOM 1560 OD2 ASP A 103 5.091 -18.811 9.861 1.00 0.00 O ATOM 0 H ASP A 103 4.820 -16.658 6.527 1.00 0.00 H new ATOM 0 HA ASP A 103 5.230 -15.664 9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.912 -17.640 7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.034 -17.363 9.224 1.00 0.00 H new ATOM 1566 N PRO A 104 7.855 -14.748 7.191 1.00 0.00 N ATOM 1567 CA PRO A 104 8.835 -13.674 7.097 1.00 0.00 C ATOM 1568 C PRO A 104 8.191 -12.360 6.626 1.00 0.00 C ATOM 1569 O PRO A 104 8.482 -11.884 5.528 1.00 0.00 O ATOM 1570 CB PRO A 104 9.890 -14.194 6.113 1.00 0.00 C ATOM 1571 CG PRO A 104 9.054 -15.042 5.158 1.00 0.00 C ATOM 1572 CD PRO A 104 8.058 -15.701 6.110 1.00 0.00 C ATOM 0 HA PRO A 104 9.277 -13.432 8.064 1.00 0.00 H new ATOM 0 HB2 PRO A 104 10.399 -13.381 5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.658 -14.783 6.614 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.556 -14.435 4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 104 9.660 -15.777 4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.119 -15.923 5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.446 -16.646 6.489 1.00 0.00 H new ATOM 1580 N ILE A 105 7.331 -11.756 7.452 1.00 0.00 N ATOM 1581 CA ILE A 105 6.754 -10.433 7.214 1.00 0.00 C ATOM 1582 C ILE A 105 7.187 -9.519 8.355 1.00 0.00 C ATOM 1583 O ILE A 105 7.290 -9.973 9.492 1.00 0.00 O ATOM 1584 CB ILE A 105 5.228 -10.498 7.024 1.00 0.00 C ATOM 1585 CG1 ILE A 105 4.891 -11.089 5.640 1.00 0.00 C ATOM 1586 CG2 ILE A 105 4.541 -9.137 7.205 1.00 0.00 C ATOM 1587 CD1 ILE A 105 4.990 -10.103 4.471 1.00 0.00 C ATOM 0 H ILE A 105 7.011 -12.183 8.321 1.00 0.00 H new ATOM 0 HA ILE A 105 7.127 -10.020 6.277 1.00 0.00 H new ATOM 0 HB ILE A 105 4.840 -11.149 7.807 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.561 -11.926 5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.879 -11.492 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.467 -9.249 7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.733 -8.763 8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 105 4.935 -8.431 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.735 -10.613 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.299 -9.276 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.007 -9.718 4.405 1.00 0.00 H new ATOM 1599 N VAL A 106 7.480 -8.251 8.044 1.00 0.00 N ATOM 1600 CA VAL A 106 7.961 -7.291 9.024 1.00 0.00 C ATOM 1601 C VAL A 106 6.769 -6.443 9.475 1.00 0.00 C ATOM 1602 O VAL A 106 6.070 -6.813 10.415 1.00 0.00 O ATOM 1603 CB VAL A 106 9.149 -6.496 8.437 1.00 0.00 C ATOM 1604 CG1 VAL A 106 9.729 -5.506 9.457 1.00 0.00 C ATOM 1605 CG2 VAL A 106 10.271 -7.458 8.018 1.00 0.00 C ATOM 0 H VAL A 106 7.388 -7.869 7.103 1.00 0.00 H new ATOM 0 HA VAL A 106 8.362 -7.771 9.917 1.00 0.00 H new ATOM 0 HB VAL A 106 8.771 -5.943 7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.562 -4.966 9.007 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.957 -4.797 9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.081 -6.051 10.333 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.104 -6.888 7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.612 -8.021 8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 106 9.895 -8.149 7.263 1.00 0.00 H new ATOM 1615 N ALA A 107 6.542 -5.301 8.824 1.00 0.00 N ATOM 1616 CA ALA A 107 5.375 -4.459 9.072 1.00 0.00 C ATOM 1617 C ALA A 107 4.275 -4.853 8.093 1.00 0.00 C ATOM 1618 O ALA A 107 4.571 -5.449 7.059 1.00 0.00 O ATOM 1619 CB ALA A 107 5.762 -2.982 8.928 1.00 0.00 C ATOM 0 H ALA A 107 7.167 -4.934 8.106 1.00 0.00 H new ATOM 0 HA ALA A 107 5.005 -4.602 10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 107 4.888 -2.357 9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.542 -2.738 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.131 -2.799 7.919 1.00 0.00 H new ATOM 1625 N GLY A 108 3.018 -4.498 8.365 1.00 0.00 N ATOM 1626 CA GLY A 108 1.965 -4.752 7.401 1.00 0.00 C ATOM 1627 C GLY A 108 0.578 -4.763 8.014 1.00 0.00 C ATOM 1628 O GLY A 108 0.443 -4.694 9.234 1.00 0.00 O ATOM 0 H GLY A 108 2.716 -4.044 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.004 -3.990 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.148 -5.712 6.918 1.00 0.00 H new ATOM 1632 N THR A 109 -0.442 -4.862 7.157 1.00 0.00 N ATOM 1633 CA THR A 109 -1.846 -4.865 7.532 1.00 0.00 C ATOM 1634 C THR A 109 -2.442 -6.253 7.325 1.00 0.00 C ATOM 1635 O THR A 109 -2.386 -6.803 6.221 1.00 0.00 O ATOM 1636 CB THR A 109 -2.578 -3.818 6.687 1.00 0.00 C ATOM 1637 OG1 THR A 109 -2.105 -3.827 5.355 1.00 0.00 O ATOM 1638 CG2 THR A 109 -2.345 -2.443 7.299 1.00 0.00 C ATOM 0 H THR A 109 -0.301 -4.945 6.150 1.00 0.00 H new ATOM 0 HA THR A 109 -1.955 -4.614 8.587 1.00 0.00 H new ATOM 0 HB THR A 109 -3.642 -4.053 6.675 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.706 -3.297 4.791 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.862 -1.688 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.730 -2.429 8.319 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.277 -2.226 7.311 1.00 0.00 H new ATOM 1646 N GLY A 110 -3.047 -6.811 8.374 1.00 0.00 N ATOM 1647 CA GLY A 110 -3.676 -8.120 8.312 1.00 0.00 C ATOM 1648 C GLY A 110 -5.071 -8.053 7.675 1.00 0.00 C ATOM 1649 O GLY A 110 -6.043 -8.455 8.306 1.00 0.00 O ATOM 0 H GLY A 110 -3.112 -6.364 9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.046 -8.799 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.755 -8.533 9.318 1.00 0.00 H new ATOM 1653 N PHE A 111 -5.154 -7.574 6.425 1.00 0.00 N ATOM 1654 CA PHE A 111 -6.360 -7.517 5.586 1.00 0.00 C ATOM 1655 C PHE A 111 -7.362 -6.452 6.075 1.00 0.00 C ATOM 1656 O PHE A 111 -8.125 -6.705 7.004 1.00 0.00 O ATOM 1657 CB PHE A 111 -7.025 -8.899 5.463 1.00 0.00 C ATOM 1658 CG PHE A 111 -6.095 -10.075 5.176 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -5.741 -10.403 3.852 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -5.652 -10.897 6.230 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -4.926 -11.520 3.594 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -4.785 -11.973 5.977 1.00 0.00 C ATOM 1663 CZ PHE A 111 -4.419 -12.284 4.657 1.00 0.00 C ATOM 0 H PHE A 111 -4.337 -7.195 5.946 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.037 -7.213 4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.560 -9.105 6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.770 -8.851 4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.096 -9.795 3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.981 -10.699 7.239 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.690 -11.791 2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.400 -12.561 6.797 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.750 -13.108 4.460 1.00 0.00 H new ATOM 1673 N SER A 112 -7.384 -5.259 5.468 1.00 0.00 N ATOM 1674 CA SER A 112 -8.230 -4.158 5.936 1.00 0.00 C ATOM 1675 C SER A 112 -9.703 -4.319 5.502 1.00 0.00 C ATOM 1676 O SER A 112 -9.993 -5.138 4.625 1.00 0.00 O ATOM 1677 CB SER A 112 -7.617 -2.822 5.488 1.00 0.00 C ATOM 1678 OG SER A 112 -6.936 -2.981 4.262 1.00 0.00 O ATOM 0 H SER A 112 -6.822 -5.033 4.648 1.00 0.00 H new ATOM 0 HA SER A 112 -8.257 -4.175 7.026 1.00 0.00 H new ATOM 0 HB2 SER A 112 -8.401 -2.072 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.928 -2.457 6.250 1.00 0.00 H new ATOM 0 HG SER A 112 -6.023 -2.635 4.348 1.00 0.00 H new ATOM 1684 N PRO A 113 -10.641 -3.557 6.107 1.00 0.00 N ATOM 1685 CA PRO A 113 -12.063 -3.632 5.785 1.00 0.00 C ATOM 1686 C PRO A 113 -12.341 -3.280 4.324 1.00 0.00 C ATOM 1687 O PRO A 113 -11.544 -2.590 3.700 1.00 0.00 O ATOM 1688 CB PRO A 113 -12.765 -2.620 6.701 1.00 0.00 C ATOM 1689 CG PRO A 113 -11.785 -2.403 7.849 1.00 0.00 C ATOM 1690 CD PRO A 113 -10.429 -2.579 7.169 1.00 0.00 C ATOM 0 HA PRO A 113 -12.425 -4.649 5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -12.975 -1.688 6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -13.719 -3.005 7.061 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -11.891 -1.412 8.291 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.933 -3.127 8.651 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.069 -1.633 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.678 -2.928 7.878 1.00 0.00 H new ATOM 1698 N VAL A 114 -13.499 -3.706 3.808 1.00 0.00 N ATOM 1699 CA VAL A 114 -13.917 -3.476 2.428 1.00 0.00 C ATOM 1700 C VAL A 114 -15.409 -3.130 2.359 1.00 0.00 C ATOM 1701 O VAL A 114 -16.237 -4.020 2.164 1.00 0.00 O ATOM 1702 CB VAL A 114 -13.589 -4.702 1.555 1.00 0.00 C ATOM 1703 CG1 VAL A 114 -12.167 -4.593 1.017 1.00 0.00 C ATOM 1704 CG2 VAL A 114 -13.754 -6.033 2.300 1.00 0.00 C ATOM 0 H VAL A 114 -14.183 -4.231 4.353 1.00 0.00 H new ATOM 0 HA VAL A 114 -13.362 -2.623 2.037 1.00 0.00 H new ATOM 0 HB VAL A 114 -14.307 -4.702 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -11.943 -5.464 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -12.074 -3.689 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -11.465 -4.548 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -13.508 -6.857 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -13.086 -6.053 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -14.785 -6.135 2.638 1.00 0.00 H new ATOM 1714 N PRO A 115 -15.769 -1.847 2.521 1.00 0.00 N ATOM 1715 CA PRO A 115 -17.131 -1.367 2.349 1.00 0.00 C ATOM 1716 C PRO A 115 -17.715 -1.703 0.975 1.00 0.00 C ATOM 1717 O PRO A 115 -16.981 -2.009 0.035 1.00 0.00 O ATOM 1718 CB PRO A 115 -17.042 0.148 2.512 1.00 0.00 C ATOM 1719 CG PRO A 115 -15.858 0.322 3.460 1.00 0.00 C ATOM 1720 CD PRO A 115 -14.905 -0.774 2.991 1.00 0.00 C ATOM 0 HA PRO A 115 -17.791 -1.844 3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -16.872 0.647 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -17.959 0.564 2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -15.412 1.313 3.376 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -16.148 0.190 4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -14.252 -0.416 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -14.262 -1.112 3.803 1.00 0.00 H new ATOM 1728 N LYS A 116 -19.044 -1.603 0.857 1.00 0.00 N ATOM 1729 CA LYS A 116 -19.769 -1.952 -0.361 1.00 0.00 C ATOM 1730 C LYS A 116 -19.995 -0.767 -1.297 1.00 0.00 C ATOM 1731 O LYS A 116 -20.188 -0.944 -2.497 1.00 0.00 O ATOM 1732 CB LYS A 116 -21.090 -2.647 -0.009 1.00 0.00 C ATOM 1733 CG LYS A 116 -20.849 -3.911 0.831 1.00 0.00 C ATOM 1734 CD LYS A 116 -22.120 -4.757 0.979 1.00 0.00 C ATOM 1735 CE LYS A 116 -23.228 -4.020 1.741 1.00 0.00 C ATOM 1736 NZ LYS A 116 -24.391 -4.895 1.971 1.00 0.00 N ATOM 0 H LYS A 116 -19.647 -1.275 1.612 1.00 0.00 H new ATOM 0 HA LYS A 116 -19.137 -2.645 -0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -21.730 -1.958 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -21.620 -2.911 -0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -20.067 -4.511 0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -20.487 -3.626 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -22.486 -5.034 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -21.878 -5.683 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -22.842 -3.666 2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -23.538 -3.140 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -25.124 -4.369 2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -24.773 -5.213 1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -24.098 -5.722 2.530 1.00 0.00 H new ATOM 1750 N ASP A 117 -19.972 0.434 -0.734 1.00 0.00 N ATOM 1751 CA ASP A 117 -20.234 1.712 -1.392 1.00 0.00 C ATOM 1752 C ASP A 117 -20.145 2.838 -0.363 1.00 0.00 C ATOM 1753 O ASP A 117 -20.296 2.579 0.830 1.00 0.00 O ATOM 1754 CB ASP A 117 -21.630 1.740 -2.041 1.00 0.00 C ATOM 1755 CG ASP A 117 -22.741 1.792 -0.999 1.00 0.00 C ATOM 1756 OD1 ASP A 117 -23.297 2.859 -0.766 1.00 0.00 O ATOM 1757 OD2 ASP A 117 -23.048 0.621 -0.382 1.00 0.00 O ATOM 0 H ASP A 117 -19.757 0.551 0.256 1.00 0.00 H new ATOM 0 HA ASP A 117 -19.488 1.845 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -21.708 2.606 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -21.758 0.855 -2.664 1.00 0.00 H new ATOM 1763 N GLY A 118 -19.946 4.074 -0.834 1.00 0.00 N ATOM 1764 CA GLY A 118 -19.944 5.298 -0.034 1.00 0.00 C ATOM 1765 C GLY A 118 -18.730 5.405 0.880 1.00 0.00 C ATOM 1766 O GLY A 118 -17.931 6.332 0.729 1.00 0.00 O ATOM 0 H GLY A 118 -19.775 4.253 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -19.969 6.161 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -20.851 5.334 0.569 1.00 0.00 H new ATOM 1770 N LYS A 119 -18.616 4.471 1.828 1.00 0.00 N ATOM 1771 CA LYS A 119 -17.510 4.386 2.761 1.00 0.00 C ATOM 1772 C LYS A 119 -16.304 3.753 2.070 1.00 0.00 C ATOM 1773 O LYS A 119 -16.451 3.054 1.069 1.00 0.00 O ATOM 1774 CB LYS A 119 -17.913 3.590 4.010 1.00 0.00 C ATOM 1775 CG LYS A 119 -18.856 4.388 4.915 1.00 0.00 C ATOM 1776 CD LYS A 119 -19.209 3.561 6.158 1.00 0.00 C ATOM 1777 CE LYS A 119 -20.142 4.324 7.105 1.00 0.00 C ATOM 1778 NZ LYS A 119 -19.495 5.524 7.668 1.00 0.00 N ATOM 0 H LYS A 119 -19.313 3.738 1.964 1.00 0.00 H new ATOM 0 HA LYS A 119 -17.239 5.391 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -18.398 2.662 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -17.019 3.315 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -18.383 5.324 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -19.764 4.648 4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -19.685 2.630 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -18.295 3.292 6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -21.044 4.617 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -20.453 3.666 7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -20.098 5.925 8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -18.572 5.264 8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -19.359 6.230 6.916 1.00 0.00 H new ATOM 1792 N PHE A 120 -15.114 4.017 2.616 1.00 0.00 N ATOM 1793 CA PHE A 120 -13.829 3.645 2.047 1.00 0.00 C ATOM 1794 C PHE A 120 -12.876 3.166 3.131 1.00 0.00 C ATOM 1795 O PHE A 120 -12.392 3.979 3.910 1.00 0.00 O ATOM 1796 CB PHE A 120 -13.265 4.873 1.333 1.00 0.00 C ATOM 1797 CG PHE A 120 -13.697 4.905 -0.120 1.00 0.00 C ATOM 1798 CD1 PHE A 120 -13.004 4.138 -1.074 1.00 0.00 C ATOM 1799 CD2 PHE A 120 -14.942 5.452 -0.463 1.00 0.00 C ATOM 1800 CE1 PHE A 120 -13.442 4.106 -2.409 1.00 0.00 C ATOM 1801 CE2 PHE A 120 -15.430 5.348 -1.775 1.00 0.00 C ATOM 1802 CZ PHE A 120 -14.642 4.745 -2.767 1.00 0.00 C ATOM 0 H PHE A 120 -15.023 4.516 3.501 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.953 2.822 1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -13.604 5.778 1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.177 4.864 1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.133 3.572 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -15.530 5.957 0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -12.858 3.592 -3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -16.410 5.731 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.956 4.772 -3.800 1.00 0.00 H new ATOM 1812 N GLY A 121 -12.613 1.859 3.169 1.00 0.00 N ATOM 1813 CA GLY A 121 -11.755 1.218 4.153 1.00 0.00 C ATOM 1814 C GLY A 121 -10.336 1.772 4.079 1.00 0.00 C ATOM 1815 O GLY A 121 -9.632 1.503 3.103 1.00 0.00 O ATOM 0 H GLY A 121 -13.005 1.202 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.160 1.376 5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.739 0.142 3.982 1.00 0.00 H new ATOM 1819 N TYR A 122 -9.921 2.541 5.095 1.00 0.00 N ATOM 1820 CA TYR A 122 -8.605 3.156 5.149 1.00 0.00 C ATOM 1821 C TYR A 122 -7.895 2.836 6.454 1.00 0.00 C ATOM 1822 O TYR A 122 -8.515 2.530 7.473 1.00 0.00 O ATOM 1823 CB TYR A 122 -8.654 4.672 4.899 1.00 0.00 C ATOM 1824 CG TYR A 122 -8.930 5.550 6.106 1.00 0.00 C ATOM 1825 CD1 TYR A 122 -10.202 5.553 6.689 1.00 0.00 C ATOM 1826 CD2 TYR A 122 -7.918 6.372 6.639 1.00 0.00 C ATOM 1827 CE1 TYR A 122 -10.496 6.428 7.749 1.00 0.00 C ATOM 1828 CE2 TYR A 122 -8.197 7.215 7.729 1.00 0.00 C ATOM 1829 CZ TYR A 122 -9.488 7.248 8.278 1.00 0.00 C ATOM 1830 OH TYR A 122 -9.767 8.063 9.334 1.00 0.00 O ATOM 0 H TYR A 122 -10.502 2.750 5.907 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.025 2.721 4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.701 4.977 4.466 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.422 4.870 4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -10.962 4.879 6.322 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.927 6.355 6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -11.496 6.469 8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -7.418 7.837 8.144 1.00 0.00 H new ATOM 0 HH TYR A 122 -8.962 8.565 9.582 1.00 0.00 H new ATOM 1840 N THR A 123 -6.569 2.925 6.384 1.00 0.00 N ATOM 1841 CA THR A 123 -5.679 2.556 7.459 1.00 0.00 C ATOM 1842 C THR A 123 -4.349 3.253 7.210 1.00 0.00 C ATOM 1843 O THR A 123 -3.665 2.894 6.256 1.00 0.00 O ATOM 1844 CB THR A 123 -5.535 1.024 7.464 1.00 0.00 C ATOM 1845 OG1 THR A 123 -6.732 0.437 7.904 1.00 0.00 O ATOM 1846 CG2 THR A 123 -4.372 0.557 8.336 1.00 0.00 C ATOM 0 H THR A 123 -6.082 3.265 5.555 1.00 0.00 H new ATOM 0 HA THR A 123 -6.057 2.860 8.435 1.00 0.00 H new ATOM 0 HB THR A 123 -5.321 0.709 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.939 0.754 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.310 -0.531 8.308 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.442 0.983 7.960 1.00 0.00 H new ATOM 0 HG23 THR A 123 -4.533 0.885 9.363 1.00 0.00 H new ATOM 1854 N ASP A 124 -4.012 4.248 8.039 1.00 0.00 N ATOM 1855 CA ASP A 124 -2.725 4.941 8.043 1.00 0.00 C ATOM 1856 C ASP A 124 -1.779 4.139 8.935 1.00 0.00 C ATOM 1857 O ASP A 124 -1.451 4.590 10.035 1.00 0.00 O ATOM 1858 CB ASP A 124 -2.877 6.372 8.591 1.00 0.00 C ATOM 1859 CG ASP A 124 -3.666 7.317 7.695 1.00 0.00 C ATOM 1860 OD1 ASP A 124 -4.887 7.345 7.803 1.00 0.00 O ATOM 1861 OD2 ASP A 124 -2.958 8.113 6.844 1.00 0.00 O ATOM 0 H ASP A 124 -4.653 4.603 8.749 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.335 5.017 7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.366 6.324 9.564 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -1.884 6.792 8.753 1.00 0.00 H new ATOM 1867 N PHE A 125 -1.361 2.942 8.509 1.00 0.00 N ATOM 1868 CA PHE A 125 -0.447 2.189 9.355 1.00 0.00 C ATOM 1869 C PHE A 125 0.917 2.864 9.306 1.00 0.00 C ATOM 1870 O PHE A 125 1.429 3.194 8.238 1.00 0.00 O ATOM 1871 CB PHE A 125 -0.419 0.687 9.089 1.00 0.00 C ATOM 1872 CG PHE A 125 0.341 0.195 7.879 1.00 0.00 C ATOM 1873 CD1 PHE A 125 -0.335 -0.023 6.665 1.00 0.00 C ATOM 1874 CD2 PHE A 125 1.659 -0.274 8.039 1.00 0.00 C ATOM 1875 CE1 PHE A 125 0.258 -0.816 5.668 1.00 0.00 C ATOM 1876 CE2 PHE A 125 2.270 -1.023 7.022 1.00 0.00 C ATOM 1877 CZ PHE A 125 1.556 -1.322 5.851 1.00 0.00 C ATOM 0 H PHE A 125 -1.627 2.497 7.630 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.819 2.220 10.379 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.002 0.200 9.969 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -1.450 0.345 8.998 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.307 0.418 6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 125 2.201 -0.057 8.947 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.284 -1.037 4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 125 3.286 -1.368 7.140 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.005 -1.942 5.089 1.00 0.00 H new ATOM 1887 N THR A 126 1.466 3.110 10.492 1.00 0.00 N ATOM 1888 CA THR A 126 2.673 3.893 10.679 1.00 0.00 C ATOM 1889 C THR A 126 3.873 2.974 10.925 1.00 0.00 C ATOM 1890 O THR A 126 3.817 2.123 11.811 1.00 0.00 O ATOM 1891 CB THR A 126 2.413 4.870 11.833 1.00 0.00 C ATOM 1892 OG1 THR A 126 1.241 5.622 11.555 1.00 0.00 O ATOM 1893 CG2 THR A 126 3.567 5.855 11.989 1.00 0.00 C ATOM 0 H THR A 126 1.072 2.761 11.366 1.00 0.00 H new ATOM 0 HA THR A 126 2.921 4.466 9.786 1.00 0.00 H new ATOM 0 HB THR A 126 2.304 4.287 12.748 1.00 0.00 H new ATOM 0 HG1 THR A 126 1.325 6.045 10.675 1.00 0.00 H new ATOM 0 HG21 THR A 126 3.356 6.535 12.814 1.00 0.00 H new ATOM 0 HG22 THR A 126 4.487 5.308 12.196 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.684 6.427 11.068 1.00 0.00 H new ATOM 1901 N TRP A 127 4.945 3.144 10.146 1.00 0.00 N ATOM 1902 CA TRP A 127 6.179 2.374 10.226 1.00 0.00 C ATOM 1903 C TRP A 127 7.380 3.323 10.158 1.00 0.00 C ATOM 1904 O TRP A 127 7.255 4.444 9.670 1.00 0.00 O ATOM 1905 CB TRP A 127 6.177 1.338 9.083 1.00 0.00 C ATOM 1906 CG TRP A 127 7.424 0.530 8.871 1.00 0.00 C ATOM 1907 CD1 TRP A 127 8.091 -0.137 9.835 1.00 0.00 C ATOM 1908 CD2 TRP A 127 8.171 0.287 7.639 1.00 0.00 C ATOM 1909 NE1 TRP A 127 9.193 -0.768 9.296 1.00 0.00 N ATOM 1910 CE2 TRP A 127 9.288 -0.547 7.938 1.00 0.00 C ATOM 1911 CE3 TRP A 127 8.019 0.680 6.295 1.00 0.00 C ATOM 1912 CZ2 TRP A 127 10.196 -0.968 6.954 1.00 0.00 C ATOM 1913 CZ3 TRP A 127 8.956 0.314 5.314 1.00 0.00 C ATOM 1914 CH2 TRP A 127 10.032 -0.522 5.633 1.00 0.00 C ATOM 0 H TRP A 127 4.973 3.853 9.413 1.00 0.00 H new ATOM 0 HA TRP A 127 6.252 1.838 11.172 1.00 0.00 H new ATOM 0 HB2 TRP A 127 5.355 0.645 9.260 1.00 0.00 H new ATOM 0 HB3 TRP A 127 5.956 1.864 8.154 1.00 0.00 H new ATOM 0 HD1 TRP A 127 7.805 -0.172 10.876 1.00 0.00 H new ATOM 0 HE1 TRP A 127 9.854 -1.328 9.834 1.00 0.00 H new ATOM 0 HE3 TRP A 127 7.164 1.276 6.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 11.012 -1.628 7.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 8.845 0.681 4.304 1.00 0.00 H new ATOM 0 HH2 TRP A 127 10.732 -0.822 4.867 1.00 0.00 H new ATOM 1925 N HIS A 128 8.537 2.879 10.661 1.00 0.00 N ATOM 1926 CA HIS A 128 9.811 3.582 10.594 1.00 0.00 C ATOM 1927 C HIS A 128 10.809 2.638 9.907 1.00 0.00 C ATOM 1928 O HIS A 128 11.074 1.566 10.448 1.00 0.00 O ATOM 1929 CB HIS A 128 10.250 3.990 12.005 1.00 0.00 C ATOM 1930 CG HIS A 128 9.332 5.035 12.589 1.00 0.00 C ATOM 1931 ND1 HIS A 128 8.198 4.796 13.345 1.00 0.00 N ATOM 1932 CD2 HIS A 128 9.354 6.364 12.275 1.00 0.00 C ATOM 1933 CE1 HIS A 128 7.549 5.967 13.488 1.00 0.00 C ATOM 1934 NE2 HIS A 128 8.234 6.932 12.844 1.00 0.00 N ATOM 0 H HIS A 128 8.608 1.984 11.144 1.00 0.00 H new ATOM 0 HA HIS A 128 9.743 4.505 10.018 1.00 0.00 H new ATOM 0 HB2 HIS A 128 10.262 3.112 12.651 1.00 0.00 H new ATOM 0 HB3 HIS A 128 11.269 4.376 11.973 1.00 0.00 H new ATOM 0 HD1 HIS A 128 7.906 3.896 13.725 1.00 0.00 H new ATOM 0 HD2 HIS A 128 10.106 6.874 11.691 1.00 0.00 H new ATOM 0 HE1 HIS A 128 6.627 6.110 14.032 1.00 0.00 H new ATOM 1943 N PRO A 129 11.325 2.984 8.716 1.00 0.00 N ATOM 1944 CA PRO A 129 12.148 2.114 7.898 1.00 0.00 C ATOM 1945 C PRO A 129 13.643 2.308 8.185 1.00 0.00 C ATOM 1946 O PRO A 129 14.093 3.418 8.478 1.00 0.00 O ATOM 1947 CB PRO A 129 11.829 2.557 6.471 1.00 0.00 C ATOM 1948 CG PRO A 129 11.700 4.070 6.622 1.00 0.00 C ATOM 1949 CD PRO A 129 11.046 4.210 7.995 1.00 0.00 C ATOM 0 HA PRO A 129 11.943 1.060 8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.621 2.284 5.774 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.909 2.105 6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.670 4.566 6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.086 4.506 5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.446 5.072 8.528 1.00 0.00 H new ATOM 0 HD3 PRO A 129 9.972 4.366 7.898 1.00 0.00 H new ATOM 1957 N THR A 130 14.419 1.230 8.048 1.00 0.00 N ATOM 1958 CA THR A 130 15.872 1.231 8.150 1.00 0.00 C ATOM 1959 C THR A 130 16.463 1.358 6.747 1.00 0.00 C ATOM 1960 O THR A 130 15.865 0.856 5.795 1.00 0.00 O ATOM 1961 CB THR A 130 16.308 -0.102 8.767 1.00 0.00 C ATOM 1962 OG1 THR A 130 15.736 -1.160 8.021 1.00 0.00 O ATOM 1963 CG2 THR A 130 15.849 -0.205 10.222 1.00 0.00 C ATOM 0 H THR A 130 14.036 0.304 7.857 1.00 0.00 H new ATOM 0 HA THR A 130 16.216 2.061 8.767 1.00 0.00 H new ATOM 0 HB THR A 130 17.396 -0.163 8.743 1.00 0.00 H new ATOM 0 HG1 THR A 130 16.010 -2.018 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 130 16.170 -1.160 10.638 1.00 0.00 H new ATOM 0 HG22 THR A 130 16.287 0.609 10.800 1.00 0.00 H new ATOM 0 HG23 THR A 130 14.762 -0.137 10.266 1.00 0.00 H new ATOM 1971 N ALA A 131 17.640 1.976 6.613 1.00 0.00 N ATOM 1972 CA ALA A 131 18.305 2.092 5.319 1.00 0.00 C ATOM 1973 C ALA A 131 18.544 0.717 4.677 1.00 0.00 C ATOM 1974 O ALA A 131 18.686 -0.286 5.375 1.00 0.00 O ATOM 1975 CB ALA A 131 19.605 2.891 5.445 1.00 0.00 C ATOM 0 H ALA A 131 18.149 2.403 7.387 1.00 0.00 H new ATOM 0 HA ALA A 131 17.640 2.640 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 131 20.083 2.964 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 131 19.383 3.891 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 131 20.276 2.387 6.140 1.00 0.00 H new ATOM 1981 N GLY A 132 18.586 0.691 3.343 1.00 0.00 N ATOM 1982 CA GLY A 132 18.735 -0.479 2.498 1.00 0.00 C ATOM 1983 C GLY A 132 17.519 -0.614 1.595 1.00 0.00 C ATOM 1984 O GLY A 132 17.219 0.305 0.827 1.00 0.00 O ATOM 0 H GLY A 132 18.511 1.548 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.640 -0.393 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 132 18.845 -1.372 3.113 1.00 0.00 H new ATOM 1988 N THR A 133 16.831 -1.758 1.626 1.00 0.00 N ATOM 1989 CA THR A 133 15.729 -2.020 0.715 1.00 0.00 C ATOM 1990 C THR A 133 14.751 -3.012 1.341 1.00 0.00 C ATOM 1991 O THR A 133 15.151 -3.885 2.109 1.00 0.00 O ATOM 1992 CB THR A 133 16.270 -2.519 -0.639 1.00 0.00 C ATOM 1993 OG1 THR A 133 17.264 -1.637 -1.127 1.00 0.00 O ATOM 1994 CG2 THR A 133 15.183 -2.631 -1.714 1.00 0.00 C ATOM 0 H THR A 133 17.024 -2.518 2.279 1.00 0.00 H new ATOM 0 HA THR A 133 15.182 -1.095 0.531 1.00 0.00 H new ATOM 0 HB THR A 133 16.677 -3.512 -0.449 1.00 0.00 H new ATOM 0 HG1 THR A 133 17.600 -1.966 -1.987 1.00 0.00 H new ATOM 0 HG21 THR A 133 15.626 -2.987 -2.644 1.00 0.00 H new ATOM 0 HG22 THR A 133 14.417 -3.333 -1.385 1.00 0.00 H new ATOM 0 HG23 THR A 133 14.732 -1.653 -1.879 1.00 0.00 H new ATOM 2002 N TYR A 134 13.474 -2.851 0.997 1.00 0.00 N ATOM 2003 CA TYR A 134 12.350 -3.694 1.340 1.00 0.00 C ATOM 2004 C TYR A 134 11.466 -3.787 0.093 1.00 0.00 C ATOM 2005 O TYR A 134 11.710 -3.105 -0.906 1.00 0.00 O ATOM 2006 CB TYR A 134 11.581 -3.079 2.520 1.00 0.00 C ATOM 2007 CG TYR A 134 12.296 -3.119 3.856 1.00 0.00 C ATOM 2008 CD1 TYR A 134 13.086 -2.027 4.259 1.00 0.00 C ATOM 2009 CD2 TYR A 134 12.003 -4.142 4.776 1.00 0.00 C ATOM 2010 CE1 TYR A 134 13.524 -1.928 5.590 1.00 0.00 C ATOM 2011 CE2 TYR A 134 12.489 -4.070 6.090 1.00 0.00 C ATOM 2012 CZ TYR A 134 13.253 -2.966 6.499 1.00 0.00 C ATOM 2013 OH TYR A 134 13.610 -2.865 7.810 1.00 0.00 O ATOM 0 H TYR A 134 13.185 -2.059 0.423 1.00 0.00 H new ATOM 0 HA TYR A 134 12.674 -4.689 1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 134 11.353 -2.040 2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 134 10.629 -3.599 2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 134 13.356 -1.264 3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 134 11.402 -4.985 4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 134 14.069 -1.054 5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 134 12.275 -4.866 6.788 1.00 0.00 H new ATOM 0 HH TYR A 134 14.200 -2.092 7.930 1.00 0.00 H new ATOM 2023 N TYR A 135 10.436 -4.624 0.159 1.00 0.00 N ATOM 2024 CA TYR A 135 9.409 -4.803 -0.845 1.00 0.00 C ATOM 2025 C TYR A 135 8.071 -4.867 -0.117 1.00 0.00 C ATOM 2026 O TYR A 135 8.027 -5.338 1.024 1.00 0.00 O ATOM 2027 CB TYR A 135 9.631 -6.113 -1.609 1.00 0.00 C ATOM 2028 CG TYR A 135 10.841 -6.139 -2.521 1.00 0.00 C ATOM 2029 CD1 TYR A 135 12.108 -6.463 -2.004 1.00 0.00 C ATOM 2030 CD2 TYR A 135 10.683 -5.943 -3.904 1.00 0.00 C ATOM 2031 CE1 TYR A 135 13.214 -6.589 -2.861 1.00 0.00 C ATOM 2032 CE2 TYR A 135 11.783 -6.103 -4.766 1.00 0.00 C ATOM 2033 CZ TYR A 135 13.049 -6.409 -4.244 1.00 0.00 C ATOM 2034 OH TYR A 135 14.108 -6.546 -5.089 1.00 0.00 O ATOM 0 H TYR A 135 10.293 -5.230 0.967 1.00 0.00 H new ATOM 0 HA TYR A 135 9.434 -3.981 -1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 135 9.725 -6.923 -0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 135 8.743 -6.320 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 135 12.231 -6.616 -0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 135 9.718 -5.670 -4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 135 14.188 -6.824 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 135 11.653 -5.990 -5.832 1.00 0.00 H new ATOM 0 HH TYR A 135 13.814 -6.388 -6.010 1.00 0.00 H new ATOM 2044 N TYR A 136 7.000 -4.400 -0.763 1.00 0.00 N ATOM 2045 CA TYR A 136 5.638 -4.528 -0.269 1.00 0.00 C ATOM 2046 C TYR A 136 4.896 -5.529 -1.147 1.00 0.00 C ATOM 2047 O TYR A 136 5.204 -5.625 -2.336 1.00 0.00 O ATOM 2048 CB TYR A 136 4.917 -3.176 -0.205 1.00 0.00 C ATOM 2049 CG TYR A 136 4.749 -2.417 -1.511 1.00 0.00 C ATOM 2050 CD1 TYR A 136 5.716 -1.467 -1.883 1.00 0.00 C ATOM 2051 CD2 TYR A 136 3.539 -2.496 -2.230 1.00 0.00 C ATOM 2052 CE1 TYR A 136 5.450 -0.553 -2.917 1.00 0.00 C ATOM 2053 CE2 TYR A 136 3.280 -1.589 -3.276 1.00 0.00 C ATOM 2054 CZ TYR A 136 4.223 -0.603 -3.599 1.00 0.00 C ATOM 2055 OH TYR A 136 3.959 0.271 -4.609 1.00 0.00 O ATOM 0 H TYR A 136 7.062 -3.915 -1.658 1.00 0.00 H new ATOM 0 HA TYR A 136 5.662 -4.895 0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 136 3.927 -3.341 0.220 1.00 0.00 H new ATOM 0 HB3 TYR A 136 5.460 -2.536 0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 136 6.667 -1.439 -1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 136 2.810 -3.252 -1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 136 6.189 0.187 -3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 136 2.355 -1.653 -3.829 1.00 0.00 H new ATOM 0 HH TYR A 136 4.790 0.710 -4.887 1.00 0.00 H new ATOM 2065 N VAL A 137 3.949 -6.274 -0.562 1.00 0.00 N ATOM 2066 CA VAL A 137 3.128 -7.268 -1.239 1.00 0.00 C ATOM 2067 C VAL A 137 1.765 -7.406 -0.547 1.00 0.00 C ATOM 2068 O VAL A 137 1.663 -7.172 0.661 1.00 0.00 O ATOM 2069 CB VAL A 137 3.821 -8.650 -1.258 1.00 0.00 C ATOM 2070 CG1 VAL A 137 5.151 -8.665 -2.018 1.00 0.00 C ATOM 2071 CG2 VAL A 137 4.069 -9.212 0.151 1.00 0.00 C ATOM 0 H VAL A 137 3.731 -6.193 0.431 1.00 0.00 H new ATOM 0 HA VAL A 137 2.987 -6.926 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 137 3.110 -9.284 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.576 -9.668 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.981 -8.375 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.843 -7.963 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.558 -10.183 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.708 -8.527 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.117 -9.324 0.671 1.00 0.00 H new ATOM 2081 N CYS A 138 0.716 -7.772 -1.298 1.00 0.00 N ATOM 2082 CA CYS A 138 -0.570 -8.151 -0.706 1.00 0.00 C ATOM 2083 C CYS A 138 -0.501 -9.636 -0.328 1.00 0.00 C ATOM 2084 O CYS A 138 0.062 -10.427 -1.082 1.00 0.00 O ATOM 2085 CB CYS A 138 -1.688 -7.920 -1.714 1.00 0.00 C ATOM 2086 SG CYS A 138 -3.355 -8.400 -1.222 1.00 0.00 S ATOM 0 H CYS A 138 0.736 -7.813 -2.317 1.00 0.00 H new ATOM 0 HA CYS A 138 -0.773 -7.548 0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -1.702 -6.859 -1.965 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -1.437 -8.460 -2.627 1.00 0.00 H new ATOM 0 HG CYS A 138 -4.008 -8.827 -2.262 1.00 0.00 H new ATOM 2091 N GLN A 139 -1.061 -10.035 0.820 1.00 0.00 N ATOM 2092 CA GLN A 139 -0.922 -11.400 1.331 1.00 0.00 C ATOM 2093 C GLN A 139 -1.839 -12.407 0.628 1.00 0.00 C ATOM 2094 O GLN A 139 -1.590 -13.607 0.707 1.00 0.00 O ATOM 2095 CB GLN A 139 -1.164 -11.432 2.847 1.00 0.00 C ATOM 2096 CG GLN A 139 -0.227 -10.498 3.623 1.00 0.00 C ATOM 2097 CD GLN A 139 -0.591 -10.461 5.104 1.00 0.00 C ATOM 2098 OE1 GLN A 139 -1.447 -9.685 5.517 1.00 0.00 O ATOM 2099 NE2 GLN A 139 0.060 -11.280 5.924 1.00 0.00 N ATOM 0 H GLN A 139 -1.619 -9.424 1.416 1.00 0.00 H new ATOM 0 HA GLN A 139 0.102 -11.706 1.115 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -2.198 -11.152 3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -1.033 -12.452 3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 139 0.804 -10.833 3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -0.284 -9.492 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 139 0.767 -11.915 5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -0.148 -11.273 6.923 1.00 0.00 H new ATOM 2108 N ILE A 140 -2.917 -11.954 -0.021 1.00 0.00 N ATOM 2109 CA ILE A 140 -3.830 -12.863 -0.710 1.00 0.00 C ATOM 2110 C ILE A 140 -3.034 -13.591 -1.815 1.00 0.00 C ATOM 2111 O ILE A 140 -2.450 -12.909 -2.657 1.00 0.00 O ATOM 2112 CB ILE A 140 -5.055 -12.087 -1.236 1.00 0.00 C ATOM 2113 CG1 ILE A 140 -5.809 -11.433 -0.060 1.00 0.00 C ATOM 2114 CG2 ILE A 140 -5.993 -13.014 -2.025 1.00 0.00 C ATOM 2115 CD1 ILE A 140 -7.079 -10.673 -0.459 1.00 0.00 C ATOM 0 H ILE A 140 -3.175 -10.969 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 140 -4.230 -13.619 -0.034 1.00 0.00 H new ATOM 0 HB ILE A 140 -4.706 -11.306 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -6.076 -12.208 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -5.134 -10.745 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -6.849 -12.444 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -5.456 -13.438 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -6.340 -13.818 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -7.543 -10.247 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.821 -9.873 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -7.777 -11.358 -0.939 1.00 0.00 H new ATOM 2127 N PRO A 141 -3.012 -14.939 -1.837 1.00 0.00 N ATOM 2128 CA PRO A 141 -2.191 -15.769 -2.711 1.00 0.00 C ATOM 2129 C PRO A 141 -1.739 -15.161 -4.041 1.00 0.00 C ATOM 2130 O PRO A 141 -0.580 -14.780 -4.189 1.00 0.00 O ATOM 2131 CB PRO A 141 -2.963 -17.081 -2.871 1.00 0.00 C ATOM 2132 CG PRO A 141 -3.631 -17.241 -1.508 1.00 0.00 C ATOM 2133 CD PRO A 141 -3.854 -15.805 -1.019 1.00 0.00 C ATOM 0 HA PRO A 141 -1.218 -15.907 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -3.695 -17.025 -3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -2.301 -17.916 -3.099 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -4.573 -17.784 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -2.999 -17.801 -0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -4.903 -15.524 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -3.593 -15.712 0.035 1.00 0.00 H new ATOM 2141 N GLY A 142 -2.636 -15.074 -5.024 1.00 0.00 N ATOM 2142 CA GLY A 142 -2.261 -14.650 -6.363 1.00 0.00 C ATOM 2143 C GLY A 142 -2.061 -13.145 -6.505 1.00 0.00 C ATOM 2144 O GLY A 142 -1.718 -12.678 -7.587 1.00 0.00 O ATOM 0 H GLY A 142 -3.626 -15.293 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.339 -15.157 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -3.032 -14.971 -7.064 1.00 0.00 H new ATOM 2148 N HIS A 143 -2.280 -12.355 -5.455 1.00 0.00 N ATOM 2149 CA HIS A 143 -2.241 -10.907 -5.584 1.00 0.00 C ATOM 2150 C HIS A 143 -0.801 -10.422 -5.760 1.00 0.00 C ATOM 2151 O HIS A 143 -0.515 -9.645 -6.676 1.00 0.00 O ATOM 2152 CB HIS A 143 -2.974 -10.264 -4.408 1.00 0.00 C ATOM 2153 CG HIS A 143 -4.481 -10.422 -4.446 1.00 0.00 C ATOM 2154 ND1 HIS A 143 -5.379 -9.599 -3.771 1.00 0.00 N ATOM 2155 CD2 HIS A 143 -5.193 -11.343 -5.168 1.00 0.00 C ATOM 2156 CE1 HIS A 143 -6.605 -10.031 -4.099 1.00 0.00 C ATOM 2157 NE2 HIS A 143 -6.523 -11.078 -4.935 1.00 0.00 N ATOM 0 H HIS A 143 -2.484 -12.694 -4.515 1.00 0.00 H new ATOM 0 HA HIS A 143 -2.768 -10.595 -6.485 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -2.599 -10.698 -3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -2.733 -9.201 -4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -4.790 -12.123 -5.796 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -7.528 -9.598 -3.741 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -7.312 -11.590 -5.330 1.00 0.00 H new ATOM 2165 N ALA A 144 0.114 -10.899 -4.909 1.00 0.00 N ATOM 2166 CA ALA A 144 1.532 -10.604 -5.084 1.00 0.00 C ATOM 2167 C ALA A 144 1.992 -11.142 -6.443 1.00 0.00 C ATOM 2168 O ALA A 144 2.728 -10.473 -7.157 1.00 0.00 O ATOM 2169 CB ALA A 144 2.368 -11.206 -3.955 1.00 0.00 C ATOM 0 H ALA A 144 -0.103 -11.484 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 144 1.674 -9.524 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 144 3.420 -10.968 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 144 2.043 -10.791 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 144 2.238 -12.288 -3.943 1.00 0.00 H new ATOM 2175 N ALA A 145 1.540 -12.349 -6.804 1.00 0.00 N ATOM 2176 CA ALA A 145 1.875 -12.969 -8.080 1.00 0.00 C ATOM 2177 C ALA A 145 1.476 -12.075 -9.262 1.00 0.00 C ATOM 2178 O ALA A 145 2.273 -11.871 -10.174 1.00 0.00 O ATOM 2179 CB ALA A 145 1.229 -14.356 -8.184 1.00 0.00 C ATOM 0 H ALA A 145 0.932 -12.919 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 145 2.957 -13.092 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.488 -14.807 -9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 145 1.594 -14.989 -7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 145 0.146 -14.259 -8.109 1.00 0.00 H new ATOM 2185 N THR A 146 0.244 -11.557 -9.258 1.00 0.00 N ATOM 2186 CA THR A 146 -0.288 -10.795 -10.381 1.00 0.00 C ATOM 2187 C THR A 146 0.216 -9.351 -10.401 1.00 0.00 C ATOM 2188 O THR A 146 0.789 -8.927 -11.401 1.00 0.00 O ATOM 2189 CB THR A 146 -1.823 -10.848 -10.405 1.00 0.00 C ATOM 2190 OG1 THR A 146 -2.359 -10.511 -9.143 1.00 0.00 O ATOM 2191 CG2 THR A 146 -2.321 -12.238 -10.813 1.00 0.00 C ATOM 0 H THR A 146 -0.406 -11.656 -8.478 1.00 0.00 H new ATOM 0 HA THR A 146 0.085 -11.269 -11.289 1.00 0.00 H new ATOM 0 HB THR A 146 -2.161 -10.120 -11.143 1.00 0.00 H new ATOM 0 HG1 THR A 146 -2.309 -11.288 -8.548 1.00 0.00 H new ATOM 0 HG21 THR A 146 -3.411 -12.246 -10.821 1.00 0.00 H new ATOM 0 HG22 THR A 146 -1.949 -12.480 -11.808 1.00 0.00 H new ATOM 0 HG23 THR A 146 -1.958 -12.978 -10.100 1.00 0.00 H new ATOM 2199 N GLY A 147 -0.020 -8.567 -9.342 1.00 0.00 N ATOM 2200 CA GLY A 147 0.343 -7.154 -9.407 1.00 0.00 C ATOM 2201 C GLY A 147 -0.033 -6.331 -8.182 1.00 0.00 C ATOM 2202 O GLY A 147 -0.441 -5.176 -8.322 1.00 0.00 O ATOM 0 H GLY A 147 -0.443 -8.873 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.420 -7.079 -9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -0.134 -6.713 -10.282 1.00 0.00 H new ATOM 2206 N MET A 148 0.087 -6.898 -6.981 1.00 0.00 N ATOM 2207 CA MET A 148 -0.102 -6.165 -5.740 1.00 0.00 C ATOM 2208 C MET A 148 1.221 -6.158 -4.978 1.00 0.00 C ATOM 2209 O MET A 148 1.344 -6.860 -3.973 1.00 0.00 O ATOM 2210 CB MET A 148 -1.229 -6.802 -4.918 1.00 0.00 C ATOM 2211 CG MET A 148 -2.531 -6.929 -5.712 1.00 0.00 C ATOM 2212 SD MET A 148 -4.097 -6.714 -4.809 1.00 0.00 S ATOM 2213 CE MET A 148 -4.147 -4.925 -4.723 1.00 0.00 C ATOM 0 H MET A 148 0.319 -7.882 -6.847 1.00 0.00 H new ATOM 0 HA MET A 148 -0.396 -5.136 -5.944 1.00 0.00 H new ATOM 0 HB2 MET A 148 -0.915 -7.790 -4.580 1.00 0.00 H new ATOM 0 HB3 MET A 148 -1.408 -6.202 -4.026 1.00 0.00 H new ATOM 0 HG2 MET A 148 -2.505 -6.196 -6.518 1.00 0.00 H new ATOM 0 HG3 MET A 148 -2.545 -7.914 -6.178 1.00 0.00 H new ATOM 0 HE1 MET A 148 -4.478 -4.618 -3.731 1.00 0.00 H new ATOM 0 HE2 MET A 148 -3.152 -4.524 -4.914 1.00 0.00 H new ATOM 0 HE3 MET A 148 -4.842 -4.544 -5.472 1.00 0.00 H new ATOM 2223 N PHE A 149 2.209 -5.384 -5.455 1.00 0.00 N ATOM 2224 CA PHE A 149 3.538 -5.321 -4.856 1.00 0.00 C ATOM 2225 C PHE A 149 4.293 -4.040 -5.252 1.00 0.00 C ATOM 2226 O PHE A 149 3.724 -3.167 -5.900 1.00 0.00 O ATOM 2227 CB PHE A 149 4.309 -6.595 -5.240 1.00 0.00 C ATOM 2228 CG PHE A 149 4.533 -6.774 -6.731 1.00 0.00 C ATOM 2229 CD1 PHE A 149 5.635 -6.176 -7.373 1.00 0.00 C ATOM 2230 CD2 PHE A 149 3.661 -7.590 -7.473 1.00 0.00 C ATOM 2231 CE1 PHE A 149 5.891 -6.441 -8.729 1.00 0.00 C ATOM 2232 CE2 PHE A 149 3.947 -7.901 -8.812 1.00 0.00 C ATOM 2233 CZ PHE A 149 5.058 -7.320 -9.444 1.00 0.00 C ATOM 0 H PHE A 149 2.100 -4.783 -6.272 1.00 0.00 H new ATOM 0 HA PHE A 149 3.442 -5.275 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 149 5.277 -6.582 -4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 149 3.766 -7.461 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 149 6.285 -5.512 -6.822 1.00 0.00 H new ATOM 0 HD2 PHE A 149 2.766 -7.980 -7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 149 6.728 -5.969 -9.222 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.313 -8.586 -9.355 1.00 0.00 H new ATOM 0 HZ PHE A 149 5.273 -7.548 -10.478 1.00 0.00 H new ATOM 2243 N GLY A 150 5.566 -3.912 -4.855 1.00 0.00 N ATOM 2244 CA GLY A 150 6.454 -2.810 -5.239 1.00 0.00 C ATOM 2245 C GLY A 150 7.671 -2.777 -4.323 1.00 0.00 C ATOM 2246 O GLY A 150 7.729 -3.522 -3.345 1.00 0.00 O ATOM 0 H GLY A 150 6.017 -4.591 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 150 6.771 -2.932 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 150 5.918 -1.863 -5.179 1.00 0.00 H new ATOM 2250 N LYS A 151 8.652 -1.942 -4.673 1.00 0.00 N ATOM 2251 CA LYS A 151 9.928 -1.814 -3.980 1.00 0.00 C ATOM 2252 C LYS A 151 9.918 -0.598 -3.055 1.00 0.00 C ATOM 2253 O LYS A 151 9.312 0.427 -3.366 1.00 0.00 O ATOM 2254 CB LYS A 151 11.054 -1.667 -5.014 1.00 0.00 C ATOM 2255 CG LYS A 151 11.575 -3.028 -5.473 1.00 0.00 C ATOM 2256 CD LYS A 151 12.688 -2.917 -6.524 1.00 0.00 C ATOM 2257 CE LYS A 151 12.164 -2.422 -7.878 1.00 0.00 C ATOM 2258 NZ LYS A 151 13.226 -2.419 -8.898 1.00 0.00 N ATOM 0 H LYS A 151 8.573 -1.317 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 151 10.093 -2.707 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 151 10.688 -1.107 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 151 11.872 -1.090 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 151 11.951 -3.578 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 151 10.749 -3.608 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 151 13.458 -2.235 -6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 151 13.160 -3.891 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 151 11.343 -3.060 -8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 151 11.761 -1.415 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 12.839 -2.079 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 13.998 -1.791 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 13.593 -3.384 -9.020 1.00 0.00 H new ATOM 2272 N ILE A 152 10.628 -0.715 -1.933 1.00 0.00 N ATOM 2273 CA ILE A 152 10.870 0.341 -0.967 1.00 0.00 C ATOM 2274 C ILE A 152 12.388 0.439 -0.821 1.00 0.00 C ATOM 2275 O ILE A 152 12.984 -0.403 -0.159 1.00 0.00 O ATOM 2276 CB ILE A 152 10.211 -0.035 0.375 1.00 0.00 C ATOM 2277 CG1 ILE A 152 8.689 0.149 0.344 1.00 0.00 C ATOM 2278 CG2 ILE A 152 10.789 0.790 1.536 1.00 0.00 C ATOM 2279 CD1 ILE A 152 8.008 -0.822 1.316 1.00 0.00 C ATOM 0 H ILE A 152 11.069 -1.595 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 152 10.450 1.296 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 152 10.433 -1.090 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 152 8.436 1.175 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 152 8.317 -0.019 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 152 10.302 0.499 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 152 11.861 0.607 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 152 10.615 1.850 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 152 6.928 -0.676 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 152 8.245 -1.847 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 152 8.366 -0.634 2.328 1.00 0.00 H new ATOM 2291 N VAL A 153 13.031 1.422 -1.447 1.00 0.00 N ATOM 2292 CA VAL A 153 14.449 1.675 -1.233 1.00 0.00 C ATOM 2293 C VAL A 153 14.523 2.706 -0.117 1.00 0.00 C ATOM 2294 O VAL A 153 13.742 3.657 -0.123 1.00 0.00 O ATOM 2295 CB VAL A 153 15.125 2.240 -2.483 1.00 0.00 C ATOM 2296 CG1 VAL A 153 16.651 2.199 -2.285 1.00 0.00 C ATOM 2297 CG2 VAL A 153 14.756 1.451 -3.747 1.00 0.00 C ATOM 0 H VAL A 153 12.587 2.058 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 153 14.963 0.746 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 153 14.777 3.264 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 153 17.144 2.600 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 153 16.921 2.799 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 153 16.970 1.169 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 153 15.259 1.889 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.069 0.413 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 153 13.677 1.490 -3.898 1.00 0.00 H new ATOM 2307 N VAL A 154 15.443 2.538 0.830 1.00 0.00 N ATOM 2308 CA VAL A 154 15.541 3.408 1.985 1.00 0.00 C ATOM 2309 C VAL A 154 16.985 3.895 2.078 1.00 0.00 C ATOM 2310 O VAL A 154 17.885 3.063 2.116 1.00 0.00 O ATOM 2311 CB VAL A 154 15.105 2.635 3.235 1.00 0.00 C ATOM 2312 CG1 VAL A 154 14.924 3.623 4.388 1.00 0.00 C ATOM 2313 CG2 VAL A 154 13.793 1.872 3.022 1.00 0.00 C ATOM 0 H VAL A 154 16.139 1.793 0.812 1.00 0.00 H new ATOM 0 HA VAL A 154 14.886 4.275 1.897 1.00 0.00 H new ATOM 0 HB VAL A 154 15.880 1.902 3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 154 14.614 3.084 5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 154 15.867 4.134 4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 154 14.162 4.356 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 154 13.528 1.341 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 154 13.000 2.575 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 154 13.916 1.156 2.210 1.00 0.00 H new ATOM 2323 N LYS A 155 17.245 5.206 2.088 1.00 0.00 N ATOM 2324 CA LYS A 155 18.612 5.725 2.187 1.00 0.00 C ATOM 2325 C LYS A 155 18.665 6.998 3.024 1.00 0.00 C ATOM 2326 O LYS A 155 17.668 7.397 3.618 1.00 0.00 O ATOM 2327 CB LYS A 155 19.205 6.007 0.795 1.00 0.00 C ATOM 2328 CG LYS A 155 19.254 4.808 -0.162 1.00 0.00 C ATOM 2329 CD LYS A 155 20.301 3.766 0.254 1.00 0.00 C ATOM 2330 CE LYS A 155 20.116 2.482 -0.564 1.00 0.00 C ATOM 2331 NZ LYS A 155 21.116 1.464 -0.198 1.00 0.00 N ATOM 0 H LYS A 155 16.526 5.927 2.029 1.00 0.00 H new ATOM 0 HA LYS A 155 19.207 4.955 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 155 18.622 6.800 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.218 6.389 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 155 18.272 4.337 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 155 19.477 5.160 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 155 21.304 4.164 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 155 20.205 3.547 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 155 19.114 2.086 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 155 20.199 2.710 -1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 20.964 0.608 -0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 22.071 1.835 -0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 21.020 1.230 0.811 1.00 0.00 H new