USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 832 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 99 MET CE :methyl -171:sc= -0.0977 (180deg=0) USER MOD Set 1.2: A 104 TYR OH : rot -140:sc= -3.06 USER MOD Set 2.1: A 52 TYR OH : rot -130:sc= 0.716 USER MOD Set 2.2: A 73 SER OG : rot -13:sc= 0.309 USER MOD Set 3.1: A 30 THR OG1 : rot -173:sc= -2.7 USER MOD Set 3.2: A 53 MET CE :methyl 172:sc= -10.4! (180deg=-8.85!) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -2.7 K(o=-2.7,f=-12!) USER MOD Single : A 12 SER OG : rot 90:sc=0.000507 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -85:sc= 1.14 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.152 USER MOD Single : A 43 GLN : amide:sc=-0.00855 K(o=-0.0085,f=-1.5!) USER MOD Single : A 45 THR OG1 : rot -80:sc= -1.17 USER MOD Single : A 51 THR OG1 : rot 158:sc= 0.0336 USER MOD Single : A 54 MET CE :methyl -129:sc= -1.93 (180deg=-4.81!) USER MOD Single : A 56 ASN : amide:sc= -0.0686 X(o=-0.069,f=-0.069) USER MOD Single : A 59 THR OG1 : rot 22:sc= 0.157 USER MOD Single : A 64 SER OG : rot 180:sc= -0.602 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 3:sc= 0.984 USER MOD Single : A 75 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 76 GLN : amide:sc=-0.00607 X(o=-0.0061,f=0) USER MOD Single : A 78 ASN : amide:sc= -1.65 K(o=-1.7,f=-5.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 109:sc= -1.03! USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -2.14! (180deg=-2.81!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot -120:sc= -1.3 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.123 F(o=-0.77,f=-0.12) USER MOD Single : A 113 THR OG1 : rot -81:sc= 0.0927 USER MOD Single : A 114 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.65) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N HIS A 2 -8.756 6.009 0.740 1.00 0.00 N ATOM 31 CA HIS A 2 -9.340 4.677 0.401 1.00 0.00 C ATOM 32 C HIS A 2 -8.236 3.640 0.171 1.00 0.00 C ATOM 33 O HIS A 2 -7.411 3.786 -0.711 1.00 0.00 O ATOM 34 CB HIS A 2 -10.133 4.909 -0.886 1.00 0.00 C ATOM 35 CG HIS A 2 -11.262 5.865 -0.614 1.00 0.00 C ATOM 36 ND1 HIS A 2 -12.448 5.459 -0.023 1.00 0.00 N ATOM 37 CD2 HIS A 2 -11.401 7.211 -0.848 1.00 0.00 C ATOM 38 CE1 HIS A 2 -13.242 6.541 0.078 1.00 0.00 C ATOM 39 NE2 HIS A 2 -12.652 7.636 -0.410 1.00 0.00 N ATOM 0 HA HIS A 2 -9.965 4.291 1.206 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -9.480 5.312 -1.660 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -10.525 3.963 -1.260 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -10.653 7.844 -1.303 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -14.235 6.526 0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -13.036 8.580 -0.452 1.00 0.00 H new ATOM 47 N VAL A 3 -8.228 2.590 0.951 1.00 0.00 N ATOM 48 CA VAL A 3 -7.194 1.525 0.779 1.00 0.00 C ATOM 49 C VAL A 3 -7.885 0.156 0.705 1.00 0.00 C ATOM 50 O VAL A 3 -8.654 -0.205 1.577 1.00 0.00 O ATOM 51 CB VAL A 3 -6.302 1.631 2.024 1.00 0.00 C ATOM 52 CG1 VAL A 3 -5.237 0.531 1.998 1.00 0.00 C ATOM 53 CG2 VAL A 3 -5.613 2.999 2.041 1.00 0.00 C ATOM 0 H VAL A 3 -8.896 2.423 1.703 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.610 1.639 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.918 1.516 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.608 0.613 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.722 -0.445 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.622 0.641 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.979 3.076 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.002 3.110 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.367 3.786 2.066 1.00 0.00 H new ATOM 63 N ALA A 4 -7.624 -0.601 -0.333 1.00 0.00 N ATOM 64 CA ALA A 4 -8.275 -1.944 -0.469 1.00 0.00 C ATOM 65 C ALA A 4 -7.220 -3.047 -0.572 1.00 0.00 C ATOM 66 O ALA A 4 -6.223 -2.902 -1.254 1.00 0.00 O ATOM 67 CB ALA A 4 -9.091 -1.865 -1.760 1.00 0.00 C ATOM 0 H ALA A 4 -6.990 -0.349 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.896 -2.183 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.599 -2.815 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.830 -1.068 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.426 -1.655 -2.598 1.00 0.00 H new ATOM 73 N GLN A 5 -7.435 -4.148 0.106 1.00 0.00 N ATOM 74 CA GLN A 5 -6.446 -5.266 0.056 1.00 0.00 C ATOM 75 C GLN A 5 -7.139 -6.631 0.256 1.00 0.00 C ATOM 76 O GLN A 5 -8.068 -6.734 1.032 1.00 0.00 O ATOM 77 CB GLN A 5 -5.472 -4.974 1.199 1.00 0.00 C ATOM 78 CG GLN A 5 -6.228 -5.021 2.519 1.00 0.00 C ATOM 79 CD GLN A 5 -5.598 -4.058 3.524 1.00 0.00 C ATOM 80 OE1 GLN A 5 -4.467 -3.647 3.365 1.00 0.00 O ATOM 81 NE2 GLN A 5 -6.289 -3.679 4.564 1.00 0.00 N ATOM 0 H GLN A 5 -8.253 -4.319 0.691 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.943 -5.325 -0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.664 -5.706 1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.014 -3.994 1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.273 -4.757 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.214 -6.035 2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.239 -4.024 4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.879 -3.038 5.243 1.00 0.00 H new ATOM 90 N PRO A 6 -6.650 -7.646 -0.426 1.00 0.00 N ATOM 91 CA PRO A 6 -7.233 -9.004 -0.269 1.00 0.00 C ATOM 92 C PRO A 6 -6.853 -9.574 1.096 1.00 0.00 C ATOM 93 O PRO A 6 -5.788 -9.300 1.612 1.00 0.00 O ATOM 94 CB PRO A 6 -6.588 -9.807 -1.397 1.00 0.00 C ATOM 95 CG PRO A 6 -5.309 -9.095 -1.698 1.00 0.00 C ATOM 96 CD PRO A 6 -5.534 -7.639 -1.388 1.00 0.00 C ATOM 0 HA PRO A 6 -8.322 -9.019 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.404 -10.837 -1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.234 -9.845 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.493 -9.496 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.030 -9.228 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.642 -7.180 -0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.785 -7.074 -2.286 1.00 0.00 H new ATOM 104 N ALA A 7 -7.707 -10.368 1.680 1.00 0.00 N ATOM 105 CA ALA A 7 -7.381 -10.965 3.007 1.00 0.00 C ATOM 106 C ALA A 7 -6.540 -12.213 2.807 1.00 0.00 C ATOM 107 O ALA A 7 -5.759 -12.579 3.668 1.00 0.00 O ATOM 108 CB ALA A 7 -8.728 -11.303 3.646 1.00 0.00 C ATOM 0 H ALA A 7 -8.615 -10.629 1.297 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.807 -10.289 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.564 -11.747 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.318 -10.393 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.264 -12.010 3.013 1.00 0.00 H new ATOM 114 N VAL A 8 -6.671 -12.861 1.677 1.00 0.00 N ATOM 115 CA VAL A 8 -5.854 -14.061 1.440 1.00 0.00 C ATOM 116 C VAL A 8 -5.668 -14.247 -0.059 1.00 0.00 C ATOM 117 O VAL A 8 -6.478 -13.797 -0.851 1.00 0.00 O ATOM 118 CB VAL A 8 -6.649 -15.215 2.073 1.00 0.00 C ATOM 119 CG1 VAL A 8 -7.795 -15.752 1.180 1.00 0.00 C ATOM 120 CG2 VAL A 8 -5.701 -16.337 2.427 1.00 0.00 C ATOM 0 H VAL A 8 -7.306 -12.604 0.921 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.856 -14.001 1.873 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.128 -14.814 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.308 -16.564 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.502 -14.949 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.382 -16.122 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.260 -17.158 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.201 -16.689 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.957 -15.974 3.136 1.00 0.00 H new ATOM 130 N VAL A 9 -4.637 -14.919 -0.443 1.00 0.00 N ATOM 131 CA VAL A 9 -4.409 -15.157 -1.887 1.00 0.00 C ATOM 132 C VAL A 9 -3.947 -16.596 -2.119 1.00 0.00 C ATOM 133 O VAL A 9 -3.319 -17.206 -1.275 1.00 0.00 O ATOM 134 CB VAL A 9 -3.348 -14.126 -2.294 1.00 0.00 C ATOM 135 CG1 VAL A 9 -2.635 -14.526 -3.596 1.00 0.00 C ATOM 136 CG2 VAL A 9 -4.028 -12.777 -2.510 1.00 0.00 C ATOM 0 H VAL A 9 -3.935 -15.318 0.180 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.312 -15.040 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.606 -14.073 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.891 -13.771 -3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.142 -15.489 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.365 -14.602 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.283 -12.036 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.775 -12.868 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.513 -12.462 -1.586 1.00 0.00 H new ATOM 146 N LEU A 10 -4.249 -17.122 -3.272 1.00 0.00 N ATOM 147 CA LEU A 10 -3.827 -18.511 -3.597 1.00 0.00 C ATOM 148 C LEU A 10 -2.660 -18.447 -4.583 1.00 0.00 C ATOM 149 O LEU A 10 -2.743 -17.799 -5.610 1.00 0.00 O ATOM 150 CB LEU A 10 -5.055 -19.166 -4.238 1.00 0.00 C ATOM 151 CG LEU A 10 -6.234 -19.147 -3.253 1.00 0.00 C ATOM 152 CD1 LEU A 10 -7.464 -19.765 -3.918 1.00 0.00 C ATOM 153 CD2 LEU A 10 -5.881 -19.945 -1.992 1.00 0.00 C ATOM 0 H LEU A 10 -4.773 -16.647 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.495 -19.076 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.325 -18.636 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.824 -20.193 -4.521 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.447 -18.115 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.301 -19.752 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.724 -19.190 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.245 -20.794 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.724 -19.925 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.660 -20.977 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.008 -19.501 -1.513 1.00 0.00 H new ATOM 165 N ALA A 11 -1.569 -19.096 -4.272 1.00 0.00 N ATOM 166 CA ALA A 11 -0.385 -19.054 -5.184 1.00 0.00 C ATOM 167 C ALA A 11 -0.686 -19.793 -6.490 1.00 0.00 C ATOM 168 O ALA A 11 -1.518 -20.675 -6.539 1.00 0.00 O ATOM 169 CB ALA A 11 0.742 -19.746 -4.415 1.00 0.00 C ATOM 0 H ALA A 11 -1.445 -19.653 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.118 -18.034 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.646 -19.753 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.933 -19.207 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.450 -20.771 -4.186 1.00 0.00 H new ATOM 175 N SER A 12 -0.013 -19.427 -7.548 1.00 0.00 N ATOM 176 CA SER A 12 -0.241 -20.094 -8.864 1.00 0.00 C ATOM 177 C SER A 12 0.817 -21.175 -9.087 1.00 0.00 C ATOM 178 O SER A 12 1.678 -21.391 -8.255 1.00 0.00 O ATOM 179 CB SER A 12 -0.102 -18.983 -9.905 1.00 0.00 C ATOM 180 OG SER A 12 -1.074 -17.978 -9.651 1.00 0.00 O ATOM 0 H SER A 12 0.691 -18.689 -7.557 1.00 0.00 H new ATOM 0 HA SER A 12 -1.215 -20.580 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.900 -18.555 -9.865 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.236 -19.389 -10.908 1.00 0.00 H new ATOM 0 HG SER A 12 -0.698 -17.305 -9.046 1.00 0.00 H new ATOM 186 N SER A 13 0.760 -21.859 -10.203 1.00 0.00 N ATOM 187 CA SER A 13 1.764 -22.936 -10.489 1.00 0.00 C ATOM 188 C SER A 13 3.193 -22.393 -10.350 1.00 0.00 C ATOM 189 O SER A 13 3.413 -21.200 -10.371 1.00 0.00 O ATOM 190 CB SER A 13 1.495 -23.363 -11.932 1.00 0.00 C ATOM 191 OG SER A 13 0.196 -23.933 -12.019 1.00 0.00 O ATOM 0 H SER A 13 0.060 -21.719 -10.932 1.00 0.00 H new ATOM 0 HA SER A 13 1.674 -23.769 -9.792 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.573 -22.504 -12.598 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.244 -24.086 -12.255 1.00 0.00 H new ATOM 0 HG SER A 13 0.020 -24.206 -12.944 1.00 0.00 H new ATOM 197 N ARG A 14 4.156 -23.270 -10.190 1.00 0.00 N ATOM 198 CA ARG A 14 5.587 -22.842 -10.034 1.00 0.00 C ATOM 199 C ARG A 14 5.766 -21.916 -8.822 1.00 0.00 C ATOM 200 O ARG A 14 6.762 -21.225 -8.709 1.00 0.00 O ATOM 201 CB ARG A 14 5.966 -22.114 -11.334 1.00 0.00 C ATOM 202 CG ARG A 14 6.299 -23.139 -12.429 1.00 0.00 C ATOM 203 CD ARG A 14 7.742 -22.941 -12.904 1.00 0.00 C ATOM 204 NE ARG A 14 7.626 -22.193 -14.194 1.00 0.00 N ATOM 205 CZ ARG A 14 7.330 -22.807 -15.323 1.00 0.00 C ATOM 206 NH1 ARG A 14 7.092 -24.099 -15.364 1.00 0.00 N ATOM 207 NH2 ARG A 14 7.262 -22.113 -16.426 1.00 0.00 N ATOM 0 H ARG A 14 4.010 -24.279 -10.160 1.00 0.00 H new ATOM 0 HA ARG A 14 6.230 -23.705 -9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.143 -21.477 -11.658 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.823 -21.463 -11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.169 -24.151 -12.045 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.612 -23.025 -13.267 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.324 -22.380 -12.173 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.245 -23.897 -13.046 1.00 0.00 H new ATOM 0 HE ARG A 14 7.779 -21.185 -14.201 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.134 -24.653 -14.508 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.865 -24.548 -16.251 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.437 -21.108 -16.408 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.034 -22.575 -17.306 1.00 0.00 H new ATOM 221 N GLY A 15 4.826 -21.906 -7.908 1.00 0.00 N ATOM 222 CA GLY A 15 4.958 -21.038 -6.697 1.00 0.00 C ATOM 223 C GLY A 15 4.850 -19.550 -7.065 1.00 0.00 C ATOM 224 O GLY A 15 5.543 -18.723 -6.503 1.00 0.00 O ATOM 0 H GLY A 15 3.972 -22.462 -7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.181 -21.294 -5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.916 -21.227 -6.214 1.00 0.00 H new ATOM 228 N ILE A 16 3.976 -19.196 -7.978 1.00 0.00 N ATOM 229 CA ILE A 16 3.818 -17.755 -8.346 1.00 0.00 C ATOM 230 C ILE A 16 2.594 -17.186 -7.611 1.00 0.00 C ATOM 231 O ILE A 16 1.469 -17.357 -8.042 1.00 0.00 O ATOM 232 CB ILE A 16 3.620 -17.718 -9.891 1.00 0.00 C ATOM 233 CG1 ILE A 16 4.965 -17.842 -10.636 1.00 0.00 C ATOM 234 CG2 ILE A 16 2.987 -16.380 -10.313 1.00 0.00 C ATOM 235 CD1 ILE A 16 5.779 -19.035 -10.138 1.00 0.00 C ATOM 0 H ILE A 16 3.368 -19.841 -8.482 1.00 0.00 H new ATOM 0 HA ILE A 16 4.682 -17.153 -8.064 1.00 0.00 H new ATOM 0 HB ILE A 16 2.975 -18.558 -10.148 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.780 -17.948 -11.705 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.541 -16.927 -10.501 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.853 -16.366 -11.395 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.018 -16.266 -9.826 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.640 -15.559 -10.017 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.719 -19.089 -10.687 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.986 -18.916 -9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.213 -19.953 -10.297 1.00 0.00 H new ATOM 247 N ALA A 17 2.809 -16.493 -6.526 1.00 0.00 N ATOM 248 CA ALA A 17 1.663 -15.889 -5.781 1.00 0.00 C ATOM 249 C ALA A 17 1.621 -14.393 -6.068 1.00 0.00 C ATOM 250 O ALA A 17 2.597 -13.693 -5.873 1.00 0.00 O ATOM 251 CB ALA A 17 1.945 -16.139 -4.302 1.00 0.00 C ATOM 0 H ALA A 17 3.729 -16.318 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 17 0.705 -16.318 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.138 -15.718 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.011 -17.212 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.887 -15.666 -4.026 1.00 0.00 H new ATOM 257 N SER A 18 0.508 -13.899 -6.542 1.00 0.00 N ATOM 258 CA SER A 18 0.417 -12.445 -6.859 1.00 0.00 C ATOM 259 C SER A 18 -0.895 -11.848 -6.349 1.00 0.00 C ATOM 260 O SER A 18 -1.914 -12.508 -6.284 1.00 0.00 O ATOM 261 CB SER A 18 0.472 -12.377 -8.385 1.00 0.00 C ATOM 262 OG SER A 18 -0.679 -13.014 -8.924 1.00 0.00 O ATOM 0 H SER A 18 -0.339 -14.438 -6.723 1.00 0.00 H new ATOM 0 HA SER A 18 1.217 -11.877 -6.384 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.515 -11.338 -8.713 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.376 -12.864 -8.750 1.00 0.00 H new ATOM 0 HG SER A 18 -0.649 -12.971 -9.903 1.00 0.00 H new ATOM 268 N PHE A 19 -0.865 -10.590 -6.008 1.00 0.00 N ATOM 269 CA PHE A 19 -2.090 -9.896 -5.517 1.00 0.00 C ATOM 270 C PHE A 19 -1.937 -8.395 -5.734 1.00 0.00 C ATOM 271 O PHE A 19 -0.849 -7.909 -5.982 1.00 0.00 O ATOM 272 CB PHE A 19 -2.205 -10.239 -4.031 1.00 0.00 C ATOM 273 CG PHE A 19 -0.952 -9.830 -3.289 1.00 0.00 C ATOM 274 CD1 PHE A 19 0.188 -10.679 -3.310 1.00 0.00 C ATOM 275 CD2 PHE A 19 -0.917 -8.611 -2.558 1.00 0.00 C ATOM 276 CE1 PHE A 19 1.362 -10.310 -2.602 1.00 0.00 C ATOM 277 CE2 PHE A 19 0.260 -8.241 -1.851 1.00 0.00 C ATOM 278 CZ PHE A 19 1.399 -9.092 -1.873 1.00 0.00 C ATOM 0 H PHE A 19 -0.031 -10.004 -6.049 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.989 -10.209 -6.048 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.069 -9.733 -3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.371 -11.310 -3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.161 -11.605 -3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.784 -7.967 -2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.227 -10.956 -2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.289 -7.314 -1.298 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.293 -8.812 -1.335 1.00 0.00 H new ATOM 288 N VAL A 20 -3.015 -7.661 -5.667 1.00 0.00 N ATOM 289 CA VAL A 20 -2.918 -6.189 -5.899 1.00 0.00 C ATOM 290 C VAL A 20 -3.503 -5.395 -4.727 1.00 0.00 C ATOM 291 O VAL A 20 -4.696 -5.402 -4.489 1.00 0.00 O ATOM 292 CB VAL A 20 -3.714 -5.931 -7.180 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.665 -4.441 -7.530 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.107 -6.736 -8.333 1.00 0.00 C ATOM 0 H VAL A 20 -3.951 -8.012 -5.464 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.880 -5.868 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.749 -6.235 -7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.233 -4.263 -8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.097 -3.861 -6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.629 -4.137 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.675 -6.551 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.071 -6.432 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.142 -7.799 -8.093 1.00 0.00 H new ATOM 304 N CYS A 21 -2.665 -4.684 -4.021 1.00 0.00 N ATOM 305 CA CYS A 21 -3.143 -3.846 -2.885 1.00 0.00 C ATOM 306 C CYS A 21 -3.243 -2.397 -3.367 1.00 0.00 C ATOM 307 O CYS A 21 -2.243 -1.763 -3.640 1.00 0.00 O ATOM 308 CB CYS A 21 -2.060 -3.992 -1.817 1.00 0.00 C ATOM 309 SG CYS A 21 -2.539 -3.085 -0.328 1.00 0.00 S ATOM 0 H CYS A 21 -1.659 -4.648 -4.185 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.120 -4.139 -2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.911 -5.045 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.111 -3.613 -2.195 1.00 0.00 H new ATOM 314 N GLU A 22 -4.435 -1.876 -3.509 1.00 0.00 N ATOM 315 CA GLU A 22 -4.570 -0.480 -4.020 1.00 0.00 C ATOM 316 C GLU A 22 -4.338 0.555 -2.914 1.00 0.00 C ATOM 317 O GLU A 22 -4.360 0.245 -1.738 1.00 0.00 O ATOM 318 CB GLU A 22 -5.983 -0.399 -4.618 1.00 0.00 C ATOM 319 CG GLU A 22 -7.032 -0.250 -3.522 1.00 0.00 C ATOM 320 CD GLU A 22 -8.425 -0.212 -4.153 1.00 0.00 C ATOM 321 OE1 GLU A 22 -8.647 -0.956 -5.095 1.00 0.00 O ATOM 322 OE2 GLU A 22 -9.245 0.561 -3.687 1.00 0.00 O ATOM 0 H GLU A 22 -5.312 -2.351 -3.296 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.815 -0.249 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.044 0.447 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.187 -1.297 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.961 -1.081 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.853 0.663 -2.954 1.00 0.00 H new ATOM 329 N TYR A 23 -4.113 1.784 -3.302 1.00 0.00 N ATOM 330 CA TYR A 23 -3.873 2.856 -2.313 1.00 0.00 C ATOM 331 C TYR A 23 -4.465 4.170 -2.838 1.00 0.00 C ATOM 332 O TYR A 23 -5.007 4.223 -3.927 1.00 0.00 O ATOM 333 CB TYR A 23 -2.343 2.922 -2.170 1.00 0.00 C ATOM 334 CG TYR A 23 -1.699 3.442 -3.440 1.00 0.00 C ATOM 335 CD1 TYR A 23 -1.513 4.839 -3.622 1.00 0.00 C ATOM 336 CD2 TYR A 23 -1.270 2.532 -4.444 1.00 0.00 C ATOM 337 CE1 TYR A 23 -0.900 5.326 -4.806 1.00 0.00 C ATOM 338 CE2 TYR A 23 -0.655 3.020 -5.629 1.00 0.00 C ATOM 339 CZ TYR A 23 -0.469 4.417 -5.809 1.00 0.00 C ATOM 340 OH TYR A 23 0.130 4.892 -6.958 1.00 0.00 O ATOM 0 H TYR A 23 -4.087 2.086 -4.276 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.343 2.673 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.080 3.570 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.953 1.931 -1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.838 5.531 -2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.411 1.470 -4.307 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.761 6.388 -4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.329 2.329 -6.392 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.560 5.136 -7.610 1.00 0.00 H new ATOM 350 N ALA A 24 -4.372 5.217 -2.071 1.00 0.00 N ATOM 351 CA ALA A 24 -4.936 6.529 -2.513 1.00 0.00 C ATOM 352 C ALA A 24 -3.864 7.622 -2.491 1.00 0.00 C ATOM 353 O ALA A 24 -3.153 7.791 -1.518 1.00 0.00 O ATOM 354 CB ALA A 24 -6.039 6.844 -1.501 1.00 0.00 C ATOM 0 H ALA A 24 -3.929 5.225 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.311 6.485 -3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.505 7.796 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.790 6.054 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.609 6.907 -0.502 1.00 0.00 H new ATOM 360 N SER A 25 -3.757 8.369 -3.560 1.00 0.00 N ATOM 361 CA SER A 25 -2.748 9.467 -3.621 1.00 0.00 C ATOM 362 C SER A 25 -3.334 10.679 -4.367 1.00 0.00 C ATOM 363 O SER A 25 -4.300 10.543 -5.091 1.00 0.00 O ATOM 364 CB SER A 25 -1.563 8.882 -4.387 1.00 0.00 C ATOM 365 OG SER A 25 -1.966 8.576 -5.715 1.00 0.00 O ATOM 0 H SER A 25 -4.329 8.264 -4.398 1.00 0.00 H new ATOM 0 HA SER A 25 -2.454 9.814 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.737 9.593 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.201 7.983 -3.888 1.00 0.00 H new ATOM 0 HG SER A 25 -1.207 8.202 -6.209 1.00 0.00 H new ATOM 371 N PRO A 26 -2.736 11.834 -4.164 1.00 0.00 N ATOM 372 CA PRO A 26 -3.228 13.070 -4.831 1.00 0.00 C ATOM 373 C PRO A 26 -2.953 13.042 -6.342 1.00 0.00 C ATOM 374 O PRO A 26 -3.440 13.880 -7.077 1.00 0.00 O ATOM 375 CB PRO A 26 -2.426 14.183 -4.163 1.00 0.00 C ATOM 376 CG PRO A 26 -1.185 13.515 -3.669 1.00 0.00 C ATOM 377 CD PRO A 26 -1.563 12.103 -3.318 1.00 0.00 C ATOM 0 HA PRO A 26 -4.306 13.194 -4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.192 14.980 -4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.984 14.636 -3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.408 13.529 -4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.785 14.036 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.750 11.407 -3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.802 12.004 -2.259 1.00 0.00 H new ATOM 385 N GLY A 27 -2.173 12.097 -6.809 1.00 0.00 N ATOM 386 CA GLY A 27 -1.863 12.031 -8.267 1.00 0.00 C ATOM 387 C GLY A 27 -0.463 12.596 -8.507 1.00 0.00 C ATOM 388 O GLY A 27 0.198 13.045 -7.590 1.00 0.00 O ATOM 0 H GLY A 27 -1.739 11.369 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.917 11.000 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.600 12.599 -8.834 1.00 0.00 H new ATOM 392 N LYS A 28 0.003 12.571 -9.735 1.00 0.00 N ATOM 393 CA LYS A 28 1.374 13.098 -10.048 1.00 0.00 C ATOM 394 C LYS A 28 2.412 12.456 -9.113 1.00 0.00 C ATOM 395 O LYS A 28 2.197 11.375 -8.603 1.00 0.00 O ATOM 396 CB LYS A 28 1.283 14.612 -9.824 1.00 0.00 C ATOM 397 CG LYS A 28 0.266 15.208 -10.800 1.00 0.00 C ATOM 398 CD LYS A 28 0.420 16.731 -10.835 1.00 0.00 C ATOM 399 CE LYS A 28 1.713 17.098 -11.568 1.00 0.00 C ATOM 400 NZ LYS A 28 1.710 18.586 -11.630 1.00 0.00 N ATOM 0 H LYS A 28 -0.509 12.207 -10.538 1.00 0.00 H new ATOM 0 HA LYS A 28 1.688 12.866 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.985 14.822 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.260 15.072 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.418 14.794 -11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.746 14.942 -10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.436 17.182 -11.337 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.440 17.128 -9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.588 16.727 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.739 16.661 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.567 18.915 -12.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.869 18.910 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.692 18.974 -10.665 1.00 0.00 H new ATOM 414 N ALA A 29 3.529 13.111 -8.878 1.00 0.00 N ATOM 415 CA ALA A 29 4.587 12.539 -7.974 1.00 0.00 C ATOM 416 C ALA A 29 5.095 11.205 -8.531 1.00 0.00 C ATOM 417 O ALA A 29 4.352 10.251 -8.662 1.00 0.00 O ATOM 418 CB ALA A 29 3.918 12.336 -6.607 1.00 0.00 C ATOM 0 H ALA A 29 3.755 14.023 -9.276 1.00 0.00 H new ATOM 0 HA ALA A 29 5.448 13.203 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.642 11.921 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.558 13.294 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.078 11.649 -6.711 1.00 0.00 H new ATOM 424 N THR A 30 6.359 11.133 -8.865 1.00 0.00 N ATOM 425 CA THR A 30 6.910 9.861 -9.425 1.00 0.00 C ATOM 426 C THR A 30 7.200 8.868 -8.315 1.00 0.00 C ATOM 427 O THR A 30 7.084 7.676 -8.492 1.00 0.00 O ATOM 428 CB THR A 30 8.257 10.221 -10.062 1.00 0.00 C ATOM 429 OG1 THR A 30 9.162 10.623 -9.044 1.00 0.00 O ATOM 430 CG2 THR A 30 8.111 11.356 -11.056 1.00 0.00 C ATOM 0 H THR A 30 7.030 11.896 -8.775 1.00 0.00 H new ATOM 0 HA THR A 30 6.199 9.424 -10.125 1.00 0.00 H new ATOM 0 HB THR A 30 8.630 9.342 -10.588 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.987 10.958 -9.453 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.084 11.587 -11.490 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.422 11.060 -11.847 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.722 12.238 -10.547 1.00 0.00 H new ATOM 438 N GLU A 31 7.636 9.358 -7.194 1.00 0.00 N ATOM 439 CA GLU A 31 8.038 8.444 -6.092 1.00 0.00 C ATOM 440 C GLU A 31 6.845 7.913 -5.299 1.00 0.00 C ATOM 441 O GLU A 31 6.112 8.647 -4.667 1.00 0.00 O ATOM 442 CB GLU A 31 8.915 9.300 -5.170 1.00 0.00 C ATOM 443 CG GLU A 31 10.114 9.876 -5.947 1.00 0.00 C ATOM 444 CD GLU A 31 11.279 8.873 -5.946 1.00 0.00 C ATOM 445 OE1 GLU A 31 11.258 7.958 -5.139 1.00 0.00 O ATOM 446 OE2 GLU A 31 12.181 9.047 -6.750 1.00 0.00 O ATOM 0 H GLU A 31 7.732 10.353 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 31 8.547 7.568 -6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.324 10.112 -4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.271 8.697 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.819 10.100 -6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.433 10.815 -5.494 1.00 0.00 H new ATOM 453 N VAL A 32 6.703 6.619 -5.294 1.00 0.00 N ATOM 454 CA VAL A 32 5.627 5.963 -4.507 1.00 0.00 C ATOM 455 C VAL A 32 6.287 4.824 -3.734 1.00 0.00 C ATOM 456 O VAL A 32 6.310 3.689 -4.172 1.00 0.00 O ATOM 457 CB VAL A 32 4.620 5.435 -5.530 1.00 0.00 C ATOM 458 CG1 VAL A 32 3.504 4.671 -4.805 1.00 0.00 C ATOM 459 CG2 VAL A 32 4.019 6.614 -6.300 1.00 0.00 C ATOM 0 H VAL A 32 7.301 5.976 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 32 5.121 6.624 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 32 5.123 4.763 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.787 4.295 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.934 3.834 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.997 5.340 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.300 6.243 -7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.515 7.284 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.813 7.155 -6.815 1.00 0.00 H new ATOM 469 N ARG A 33 6.871 5.141 -2.611 1.00 0.00 N ATOM 470 CA ARG A 33 7.597 4.105 -1.820 1.00 0.00 C ATOM 471 C ARG A 33 6.677 2.956 -1.418 1.00 0.00 C ATOM 472 O ARG A 33 5.764 3.121 -0.631 1.00 0.00 O ATOM 473 CB ARG A 33 8.121 4.832 -0.576 1.00 0.00 C ATOM 474 CG ARG A 33 9.087 3.910 0.183 1.00 0.00 C ATOM 475 CD ARG A 33 10.336 4.692 0.604 1.00 0.00 C ATOM 476 NE ARG A 33 11.238 3.679 1.241 1.00 0.00 N ATOM 477 CZ ARG A 33 12.444 4.003 1.665 1.00 0.00 C ATOM 478 NH1 ARG A 33 12.910 5.225 1.545 1.00 0.00 N ATOM 479 NH2 ARG A 33 13.192 3.086 2.216 1.00 0.00 N ATOM 0 H ARG A 33 6.877 6.077 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 33 8.401 3.658 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.630 5.751 -0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.290 5.117 0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.593 3.497 1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.371 3.068 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.815 5.161 -0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.084 5.490 1.303 1.00 0.00 H new ATOM 0 HE ARG A 33 10.912 2.718 1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.335 5.950 1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.847 5.449 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.842 2.133 2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.127 3.322 2.548 1.00 0.00 H new ATOM 493 N VAL A 34 6.946 1.780 -1.931 1.00 0.00 N ATOM 494 CA VAL A 34 6.131 0.598 -1.560 1.00 0.00 C ATOM 495 C VAL A 34 7.008 -0.355 -0.745 1.00 0.00 C ATOM 496 O VAL A 34 8.217 -0.374 -0.890 1.00 0.00 O ATOM 497 CB VAL A 34 5.681 -0.058 -2.872 1.00 0.00 C ATOM 498 CG1 VAL A 34 4.806 0.917 -3.666 1.00 0.00 C ATOM 499 CG2 VAL A 34 6.900 -0.457 -3.719 1.00 0.00 C ATOM 0 H VAL A 34 7.700 1.595 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 34 5.261 0.864 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 34 5.107 -0.954 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.489 0.446 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.928 1.182 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.377 1.818 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.563 -0.921 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.488 0.431 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.514 -1.164 -3.162 1.00 0.00 H new ATOM 509 N THR A 35 6.410 -1.134 0.106 1.00 0.00 N ATOM 510 CA THR A 35 7.203 -2.088 0.944 1.00 0.00 C ATOM 511 C THR A 35 6.392 -3.353 1.221 1.00 0.00 C ATOM 512 O THR A 35 5.204 -3.298 1.474 1.00 0.00 O ATOM 513 CB THR A 35 7.518 -1.347 2.258 1.00 0.00 C ATOM 514 OG1 THR A 35 8.184 -0.127 1.961 1.00 0.00 O ATOM 515 CG2 THR A 35 8.430 -2.220 3.124 1.00 0.00 C ATOM 0 H THR A 35 5.402 -1.156 0.263 1.00 0.00 H new ATOM 0 HA THR A 35 8.117 -2.398 0.438 1.00 0.00 H new ATOM 0 HB THR A 35 6.591 -1.139 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.384 0.348 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.655 -1.699 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.928 -3.161 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.357 -2.422 2.587 1.00 0.00 H new ATOM 523 N VAL A 36 7.033 -4.489 1.183 1.00 0.00 N ATOM 524 CA VAL A 36 6.319 -5.768 1.458 1.00 0.00 C ATOM 525 C VAL A 36 6.907 -6.394 2.729 1.00 0.00 C ATOM 526 O VAL A 36 8.113 -6.463 2.864 1.00 0.00 O ATOM 527 CB VAL A 36 6.589 -6.644 0.228 1.00 0.00 C ATOM 528 CG1 VAL A 36 5.925 -8.010 0.412 1.00 0.00 C ATOM 529 CG2 VAL A 36 6.013 -5.964 -1.022 1.00 0.00 C ATOM 0 H VAL A 36 8.026 -4.587 0.972 1.00 0.00 H new ATOM 0 HA VAL A 36 5.248 -5.643 1.621 1.00 0.00 H new ATOM 0 HB VAL A 36 7.665 -6.776 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.119 -8.630 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.333 -8.496 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.850 -7.879 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.205 -6.587 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.938 -5.830 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.487 -4.992 -1.158 1.00 0.00 H new ATOM 539 N LEU A 37 6.092 -6.823 3.681 1.00 0.00 N ATOM 540 CA LEU A 37 6.687 -7.409 4.927 1.00 0.00 C ATOM 541 C LEU A 37 6.206 -8.836 5.164 1.00 0.00 C ATOM 542 O LEU A 37 5.176 -9.252 4.674 1.00 0.00 O ATOM 543 CB LEU A 37 6.192 -6.530 6.076 1.00 0.00 C ATOM 544 CG LEU A 37 6.654 -5.087 5.884 1.00 0.00 C ATOM 545 CD1 LEU A 37 5.717 -4.142 6.658 1.00 0.00 C ATOM 546 CD2 LEU A 37 8.091 -4.943 6.404 1.00 0.00 C ATOM 0 H LEU A 37 5.073 -6.792 3.647 1.00 0.00 H new ATOM 0 HA LEU A 37 7.774 -7.440 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.104 -6.566 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.568 -6.915 7.024 1.00 0.00 H new ATOM 0 HG LEU A 37 6.627 -4.827 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.046 -3.112 6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.699 -4.251 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.741 -4.393 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.425 -3.914 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.122 -5.199 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.747 -5.614 5.850 1.00 0.00 H new ATOM 558 N ARG A 38 6.941 -9.569 5.957 1.00 0.00 N ATOM 559 CA ARG A 38 6.535 -10.963 6.299 1.00 0.00 C ATOM 560 C ARG A 38 6.281 -11.033 7.802 1.00 0.00 C ATOM 561 O ARG A 38 7.095 -10.586 8.589 1.00 0.00 O ATOM 562 CB ARG A 38 7.720 -11.852 5.915 1.00 0.00 C ATOM 563 CG ARG A 38 7.349 -13.318 6.153 1.00 0.00 C ATOM 564 CD ARG A 38 8.486 -14.232 5.682 1.00 0.00 C ATOM 565 NE ARG A 38 9.583 -14.048 6.685 1.00 0.00 N ATOM 566 CZ ARG A 38 10.528 -13.139 6.530 1.00 0.00 C ATOM 567 NH1 ARG A 38 10.559 -12.337 5.492 1.00 0.00 N ATOM 568 NH2 ARG A 38 11.459 -13.035 7.439 1.00 0.00 N ATOM 0 H ARG A 38 7.813 -9.259 6.386 1.00 0.00 H new ATOM 0 HA ARG A 38 5.630 -11.279 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.982 -11.696 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.596 -11.586 6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.153 -13.484 7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.431 -13.561 5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.162 -15.272 5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.819 -13.961 4.680 1.00 0.00 H new ATOM 0 HE ARG A 38 9.601 -14.643 7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.838 -12.405 4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.304 -11.646 5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.449 -13.650 8.252 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.197 -12.338 7.336 1.00 0.00 H new ATOM 582 N GLN A 39 5.159 -11.565 8.212 1.00 0.00 N ATOM 583 CA GLN A 39 4.866 -11.630 9.676 1.00 0.00 C ATOM 584 C GLN A 39 5.092 -13.034 10.224 1.00 0.00 C ATOM 585 O GLN A 39 4.756 -14.026 9.605 1.00 0.00 O ATOM 586 CB GLN A 39 3.400 -11.243 9.818 1.00 0.00 C ATOM 587 CG GLN A 39 3.059 -11.036 11.295 1.00 0.00 C ATOM 588 CD GLN A 39 1.540 -10.969 11.463 1.00 0.00 C ATOM 589 OE1 GLN A 39 0.860 -11.968 11.345 1.00 0.00 O ATOM 590 NE2 GLN A 39 0.977 -9.824 11.737 1.00 0.00 N ATOM 0 H GLN A 39 4.439 -11.954 7.604 1.00 0.00 H new ATOM 0 HA GLN A 39 5.524 -10.966 10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.200 -10.330 9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.766 -12.022 9.395 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.466 -11.853 11.891 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.517 -10.116 11.660 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.549 -8.985 11.836 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.035 -9.768 11.852 1.00 0.00 H new ATOM 599 N ALA A 40 5.651 -13.108 11.396 1.00 0.00 N ATOM 600 CA ALA A 40 5.905 -14.427 12.042 1.00 0.00 C ATOM 601 C ALA A 40 5.437 -14.369 13.497 1.00 0.00 C ATOM 602 O ALA A 40 5.365 -13.307 14.087 1.00 0.00 O ATOM 603 CB ALA A 40 7.419 -14.629 11.964 1.00 0.00 C ATOM 0 H ALA A 40 5.948 -12.300 11.944 1.00 0.00 H new ATOM 0 HA ALA A 40 5.373 -15.246 11.558 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.683 -15.583 12.421 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.733 -14.628 10.920 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.922 -13.821 12.495 1.00 0.00 H new ATOM 609 N ASP A 41 5.111 -15.495 14.078 1.00 0.00 N ATOM 610 CA ASP A 41 4.637 -15.492 15.497 1.00 0.00 C ATOM 611 C ASP A 41 5.712 -14.918 16.423 1.00 0.00 C ATOM 612 O ASP A 41 5.424 -14.125 17.300 1.00 0.00 O ATOM 613 CB ASP A 41 4.368 -16.954 15.835 1.00 0.00 C ATOM 614 CG ASP A 41 3.110 -17.438 15.107 1.00 0.00 C ATOM 615 OD1 ASP A 41 2.247 -16.616 14.838 1.00 0.00 O ATOM 616 OD2 ASP A 41 3.030 -18.623 14.831 1.00 0.00 O ATOM 0 H ASP A 41 5.152 -16.413 13.635 1.00 0.00 H new ATOM 0 HA ASP A 41 3.748 -14.874 15.625 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.223 -17.566 15.547 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.242 -17.070 16.912 1.00 0.00 H new ATOM 621 N SER A 42 6.945 -15.314 16.236 1.00 0.00 N ATOM 622 CA SER A 42 8.042 -14.792 17.108 1.00 0.00 C ATOM 623 C SER A 42 8.332 -13.317 16.805 1.00 0.00 C ATOM 624 O SER A 42 8.512 -12.519 17.706 1.00 0.00 O ATOM 625 CB SER A 42 9.261 -15.653 16.777 1.00 0.00 C ATOM 626 OG SER A 42 9.631 -15.439 15.421 1.00 0.00 O ATOM 0 H SER A 42 7.240 -15.976 15.518 1.00 0.00 H new ATOM 0 HA SER A 42 7.774 -14.844 18.163 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.090 -15.399 17.437 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.033 -16.706 16.942 1.00 0.00 H new ATOM 0 HG SER A 42 10.414 -15.988 15.205 1.00 0.00 H new ATOM 632 N GLN A 43 8.398 -12.953 15.546 1.00 0.00 N ATOM 633 CA GLN A 43 8.698 -11.540 15.188 1.00 0.00 C ATOM 634 C GLN A 43 8.350 -11.260 13.718 1.00 0.00 C ATOM 635 O GLN A 43 8.114 -12.165 12.939 1.00 0.00 O ATOM 636 CB GLN A 43 10.203 -11.412 15.421 1.00 0.00 C ATOM 637 CG GLN A 43 10.632 -9.973 15.164 1.00 0.00 C ATOM 638 CD GLN A 43 12.101 -9.793 15.554 1.00 0.00 C ATOM 639 OE1 GLN A 43 12.622 -10.534 16.364 1.00 0.00 O ATOM 640 NE2 GLN A 43 12.794 -8.832 15.009 1.00 0.00 N ATOM 0 H GLN A 43 8.256 -13.579 14.753 1.00 0.00 H new ATOM 0 HA GLN A 43 8.118 -10.828 15.775 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.450 -11.700 16.443 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.744 -12.088 14.759 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.492 -9.725 14.112 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.007 -9.289 15.739 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.357 -8.210 14.329 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.773 -8.702 15.263 1.00 0.00 H new ATOM 649 N VAL A 44 8.334 -10.007 13.337 1.00 0.00 N ATOM 650 CA VAL A 44 8.029 -9.645 11.919 1.00 0.00 C ATOM 651 C VAL A 44 9.237 -8.911 11.326 1.00 0.00 C ATOM 652 O VAL A 44 9.840 -8.077 11.976 1.00 0.00 O ATOM 653 CB VAL A 44 6.812 -8.718 11.986 1.00 0.00 C ATOM 654 CG1 VAL A 44 6.400 -8.305 10.569 1.00 0.00 C ATOM 655 CG2 VAL A 44 5.647 -9.446 12.664 1.00 0.00 C ATOM 0 H VAL A 44 8.520 -9.215 13.952 1.00 0.00 H new ATOM 0 HA VAL A 44 7.825 -10.514 11.294 1.00 0.00 H new ATOM 0 HB VAL A 44 7.069 -7.829 12.562 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.534 -7.645 10.620 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.226 -7.782 10.088 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.146 -9.193 9.990 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.782 -8.784 12.711 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.392 -10.337 12.091 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.937 -9.735 13.674 1.00 0.00 H new ATOM 665 N THR A 45 9.608 -9.224 10.110 1.00 0.00 N ATOM 666 CA THR A 45 10.796 -8.553 9.491 1.00 0.00 C ATOM 667 C THR A 45 10.464 -8.014 8.095 1.00 0.00 C ATOM 668 O THR A 45 9.437 -8.328 7.524 1.00 0.00 O ATOM 669 CB THR A 45 11.865 -9.645 9.398 1.00 0.00 C ATOM 670 OG1 THR A 45 11.383 -10.709 8.589 1.00 0.00 O ATOM 671 CG2 THR A 45 12.192 -10.170 10.798 1.00 0.00 C ATOM 0 H THR A 45 9.142 -9.913 9.519 1.00 0.00 H new ATOM 0 HA THR A 45 11.125 -7.698 10.081 1.00 0.00 H new ATOM 0 HB THR A 45 12.769 -9.230 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.788 -11.279 9.119 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.953 -10.947 10.727 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.565 -9.353 11.415 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.291 -10.585 11.251 1.00 0.00 H new ATOM 679 N GLU A 46 11.337 -7.204 7.547 1.00 0.00 N ATOM 680 CA GLU A 46 11.096 -6.634 6.188 1.00 0.00 C ATOM 681 C GLU A 46 11.450 -7.652 5.107 1.00 0.00 C ATOM 682 O GLU A 46 12.259 -8.538 5.313 1.00 0.00 O ATOM 683 CB GLU A 46 12.008 -5.409 6.094 1.00 0.00 C ATOM 684 CG GLU A 46 11.486 -4.310 7.020 1.00 0.00 C ATOM 685 CD GLU A 46 12.452 -3.124 7.002 1.00 0.00 C ATOM 686 OE1 GLU A 46 13.603 -3.317 7.358 1.00 0.00 O ATOM 687 OE2 GLU A 46 12.025 -2.043 6.632 1.00 0.00 O ATOM 0 H GLU A 46 12.210 -6.913 7.986 1.00 0.00 H new ATOM 0 HA GLU A 46 10.049 -6.371 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.027 -5.679 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.043 -5.047 5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.495 -3.990 6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.384 -4.694 8.035 1.00 0.00 H new ATOM 694 N VAL A 47 10.837 -7.533 3.958 1.00 0.00 N ATOM 695 CA VAL A 47 11.116 -8.493 2.853 1.00 0.00 C ATOM 696 C VAL A 47 11.707 -7.757 1.641 1.00 0.00 C ATOM 697 O VAL A 47 12.890 -7.841 1.377 1.00 0.00 O ATOM 698 CB VAL A 47 9.746 -9.102 2.523 1.00 0.00 C ATOM 699 CG1 VAL A 47 9.861 -10.065 1.347 1.00 0.00 C ATOM 700 CG2 VAL A 47 9.218 -9.861 3.739 1.00 0.00 C ATOM 0 H VAL A 47 10.153 -6.809 3.738 1.00 0.00 H new ATOM 0 HA VAL A 47 11.845 -9.255 3.128 1.00 0.00 H new ATOM 0 HB VAL A 47 9.061 -8.296 2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.881 -10.488 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.231 -9.529 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.554 -10.867 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.245 -10.293 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.915 -10.657 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.117 -9.175 4.580 1.00 0.00 H new ATOM 710 N CYS A 48 10.890 -7.050 0.898 1.00 0.00 N ATOM 711 CA CYS A 48 11.398 -6.322 -0.305 1.00 0.00 C ATOM 712 C CYS A 48 10.927 -4.868 -0.293 1.00 0.00 C ATOM 713 O CYS A 48 10.042 -4.509 0.462 1.00 0.00 O ATOM 714 CB CYS A 48 10.799 -7.093 -1.477 1.00 0.00 C ATOM 715 SG CYS A 48 11.492 -8.766 -1.471 1.00 0.00 S ATOM 0 H CYS A 48 9.891 -6.946 1.074 1.00 0.00 H new ATOM 0 HA CYS A 48 12.486 -6.279 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.713 -7.132 -1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.026 -6.591 -2.418 1.00 0.00 H new ATOM 720 N ALA A 49 11.512 -4.017 -1.115 1.00 0.00 N ATOM 721 CA ALA A 49 11.080 -2.582 -1.118 1.00 0.00 C ATOM 722 C ALA A 49 11.691 -1.809 -2.293 1.00 0.00 C ATOM 723 O ALA A 49 12.795 -2.076 -2.726 1.00 0.00 O ATOM 724 CB ALA A 49 11.591 -2.015 0.210 1.00 0.00 C ATOM 0 H ALA A 49 12.256 -4.253 -1.771 1.00 0.00 H new ATOM 0 HA ALA A 49 9.999 -2.494 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.315 -0.963 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.146 -2.568 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.676 -2.109 0.252 1.00 0.00 H new ATOM 730 N ALA A 50 10.971 -0.836 -2.792 1.00 0.00 N ATOM 731 CA ALA A 50 11.476 -0.001 -3.926 1.00 0.00 C ATOM 732 C ALA A 50 10.483 1.135 -4.188 1.00 0.00 C ATOM 733 O ALA A 50 9.284 0.932 -4.123 1.00 0.00 O ATOM 734 CB ALA A 50 11.548 -0.942 -5.135 1.00 0.00 C ATOM 0 H ALA A 50 10.042 -0.581 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 50 12.449 0.444 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.912 -0.392 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.228 -1.765 -4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.555 -1.339 -5.347 1.00 0.00 H new ATOM 740 N THR A 51 10.957 2.324 -4.481 1.00 0.00 N ATOM 741 CA THR A 51 10.007 3.450 -4.742 1.00 0.00 C ATOM 742 C THR A 51 9.582 3.428 -6.200 1.00 0.00 C ATOM 743 O THR A 51 10.340 3.786 -7.077 1.00 0.00 O ATOM 744 CB THR A 51 10.774 4.737 -4.435 1.00 0.00 C ATOM 745 OG1 THR A 51 11.576 4.547 -3.278 1.00 0.00 O ATOM 746 CG2 THR A 51 9.775 5.868 -4.181 1.00 0.00 C ATOM 0 H THR A 51 11.947 2.560 -4.550 1.00 0.00 H new ATOM 0 HA THR A 51 9.109 3.372 -4.129 1.00 0.00 H new ATOM 0 HB THR A 51 11.413 4.993 -5.280 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.307 5.199 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.316 6.789 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.156 6.013 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.140 5.609 -3.334 1.00 0.00 H new ATOM 754 N TYR A 52 8.375 3.006 -6.465 1.00 0.00 N ATOM 755 CA TYR A 52 7.898 2.946 -7.872 1.00 0.00 C ATOM 756 C TYR A 52 7.925 4.334 -8.508 1.00 0.00 C ATOM 757 O TYR A 52 7.359 5.274 -7.984 1.00 0.00 O ATOM 758 CB TYR A 52 6.457 2.445 -7.787 1.00 0.00 C ATOM 759 CG TYR A 52 5.932 2.235 -9.181 1.00 0.00 C ATOM 760 CD1 TYR A 52 5.483 3.343 -9.948 1.00 0.00 C ATOM 761 CD2 TYR A 52 5.912 0.932 -9.729 1.00 0.00 C ATOM 762 CE1 TYR A 52 5.007 3.142 -11.271 1.00 0.00 C ATOM 763 CE2 TYR A 52 5.439 0.728 -11.055 1.00 0.00 C ATOM 764 CZ TYR A 52 4.985 1.834 -11.825 1.00 0.00 C ATOM 765 OH TYR A 52 4.526 1.637 -13.112 1.00 0.00 O ATOM 0 H TYR A 52 7.699 2.700 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 52 8.528 2.299 -8.482 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.414 1.513 -7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.837 3.167 -7.255 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.504 4.337 -9.526 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.255 0.093 -9.142 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.662 3.982 -11.855 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.425 -0.266 -11.477 1.00 0.00 H new ATOM 0 HH TYR A 52 3.861 0.917 -13.116 1.00 0.00 H new ATOM 775 N MET A 53 8.545 4.456 -9.653 1.00 0.00 N ATOM 776 CA MET A 53 8.569 5.769 -10.350 1.00 0.00 C ATOM 777 C MET A 53 7.434 5.776 -11.375 1.00 0.00 C ATOM 778 O MET A 53 7.249 4.811 -12.095 1.00 0.00 O ATOM 779 CB MET A 53 9.922 5.851 -11.060 1.00 0.00 C ATOM 780 CG MET A 53 11.057 5.854 -10.033 1.00 0.00 C ATOM 781 SD MET A 53 11.733 7.526 -9.887 1.00 0.00 S ATOM 782 CE MET A 53 10.486 8.173 -8.748 1.00 0.00 C ATOM 0 H MET A 53 9.035 3.701 -10.133 1.00 0.00 H new ATOM 0 HA MET A 53 8.440 6.611 -9.670 1.00 0.00 H new ATOM 0 HB2 MET A 53 10.037 5.005 -11.738 1.00 0.00 H new ATOM 0 HB3 MET A 53 9.968 6.755 -11.667 1.00 0.00 H new ATOM 0 HG2 MET A 53 10.687 5.514 -9.066 1.00 0.00 H new ATOM 0 HG3 MET A 53 11.839 5.159 -10.338 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.785 9.163 -8.405 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.526 8.241 -9.260 1.00 0.00 H new ATOM 0 HE3 MET A 53 10.394 7.505 -7.892 1.00 0.00 H new ATOM 792 N MET A 54 6.666 6.832 -11.450 1.00 0.00 N ATOM 793 CA MET A 54 5.537 6.861 -12.435 1.00 0.00 C ATOM 794 C MET A 54 6.046 6.628 -13.866 1.00 0.00 C ATOM 795 O MET A 54 5.286 6.261 -14.743 1.00 0.00 O ATOM 796 CB MET A 54 4.912 8.252 -12.307 1.00 0.00 C ATOM 797 CG MET A 54 4.185 8.368 -10.965 1.00 0.00 C ATOM 798 SD MET A 54 2.687 7.353 -10.999 1.00 0.00 S ATOM 799 CE MET A 54 3.359 5.926 -10.113 1.00 0.00 C ATOM 0 H MET A 54 6.768 7.670 -10.878 1.00 0.00 H new ATOM 0 HA MET A 54 4.814 6.072 -12.231 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.685 9.017 -12.380 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.214 8.425 -13.126 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.839 8.043 -10.156 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.927 9.409 -10.768 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.157 5.017 -10.680 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.436 6.047 -9.992 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.890 5.853 -9.132 1.00 0.00 H new ATOM 809 N GLY A 55 7.317 6.846 -14.112 1.00 0.00 N ATOM 810 CA GLY A 55 7.858 6.644 -15.492 1.00 0.00 C ATOM 811 C GLY A 55 8.917 5.528 -15.518 1.00 0.00 C ATOM 812 O GLY A 55 9.303 5.073 -16.579 1.00 0.00 O ATOM 0 H GLY A 55 7.999 7.154 -13.419 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.044 6.392 -16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.297 7.574 -15.853 1.00 0.00 H new ATOM 816 N ASN A 56 9.400 5.088 -14.377 1.00 0.00 N ATOM 817 CA ASN A 56 10.442 4.009 -14.375 1.00 0.00 C ATOM 818 C ASN A 56 10.063 2.872 -13.415 1.00 0.00 C ATOM 819 O ASN A 56 9.259 3.042 -12.520 1.00 0.00 O ATOM 820 CB ASN A 56 11.725 4.699 -13.911 1.00 0.00 C ATOM 821 CG ASN A 56 12.135 5.758 -14.936 1.00 0.00 C ATOM 822 OD1 ASN A 56 12.079 6.940 -14.662 1.00 0.00 O ATOM 823 ND2 ASN A 56 12.550 5.381 -16.115 1.00 0.00 N ATOM 0 H ASN A 56 9.121 5.426 -13.456 1.00 0.00 H new ATOM 0 HA ASN A 56 10.551 3.553 -15.359 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.569 5.162 -12.937 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.522 3.965 -13.792 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.827 6.079 -16.805 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.597 4.389 -16.346 1.00 0.00 H new ATOM 830 N GLU A 57 10.647 1.713 -13.606 1.00 0.00 N ATOM 831 CA GLU A 57 10.342 0.547 -12.719 1.00 0.00 C ATOM 832 C GLU A 57 11.550 0.226 -11.829 1.00 0.00 C ATOM 833 O GLU A 57 12.670 0.150 -12.297 1.00 0.00 O ATOM 834 CB GLU A 57 10.061 -0.611 -13.678 1.00 0.00 C ATOM 835 CG GLU A 57 9.633 -1.845 -12.881 1.00 0.00 C ATOM 836 CD GLU A 57 9.418 -3.024 -13.835 1.00 0.00 C ATOM 837 OE1 GLU A 57 9.008 -2.787 -14.959 1.00 0.00 O ATOM 838 OE2 GLU A 57 9.668 -4.145 -13.423 1.00 0.00 O ATOM 0 H GLU A 57 11.326 1.524 -14.343 1.00 0.00 H new ATOM 0 HA GLU A 57 9.501 0.742 -12.053 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.278 -0.331 -14.383 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.952 -0.835 -14.264 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.395 -2.096 -12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.714 -1.636 -12.333 1.00 0.00 H new ATOM 845 N LEU A 58 11.330 0.053 -10.549 1.00 0.00 N ATOM 846 CA LEU A 58 12.459 -0.245 -9.618 1.00 0.00 C ATOM 847 C LEU A 58 12.621 -1.752 -9.424 1.00 0.00 C ATOM 848 O LEU A 58 11.686 -2.514 -9.575 1.00 0.00 O ATOM 849 CB LEU A 58 12.085 0.421 -8.287 1.00 0.00 C ATOM 850 CG LEU A 58 12.199 1.953 -8.378 1.00 0.00 C ATOM 851 CD1 LEU A 58 13.609 2.357 -8.818 1.00 0.00 C ATOM 852 CD2 LEU A 58 11.176 2.504 -9.373 1.00 0.00 C ATOM 0 H LEU A 58 10.412 0.106 -10.108 1.00 0.00 H new ATOM 0 HA LEU A 58 13.405 0.128 -10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.067 0.145 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.738 0.052 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 58 11.999 2.370 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.674 3.443 -8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 58 14.336 1.989 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.822 1.926 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.268 3.589 -9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.359 2.075 -10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.171 2.241 -9.044 1.00 0.00 H new ATOM 864 N THR A 59 13.813 -2.180 -9.099 1.00 0.00 N ATOM 865 CA THR A 59 14.075 -3.620 -8.901 1.00 0.00 C ATOM 866 C THR A 59 14.128 -3.978 -7.411 1.00 0.00 C ATOM 867 O THR A 59 14.680 -3.257 -6.603 1.00 0.00 O ATOM 868 CB THR A 59 15.441 -3.819 -9.545 1.00 0.00 C ATOM 869 OG1 THR A 59 16.376 -2.931 -8.949 1.00 0.00 O ATOM 870 CG2 THR A 59 15.355 -3.550 -11.049 1.00 0.00 C ATOM 0 H THR A 59 14.623 -1.576 -8.962 1.00 0.00 H new ATOM 0 HA THR A 59 13.296 -4.251 -9.330 1.00 0.00 H new ATOM 0 HB THR A 59 15.766 -4.848 -9.390 1.00 0.00 H new ATOM 0 HG1 THR A 59 16.053 -2.662 -8.064 1.00 0.00 H new ATOM 0 HG21 THR A 59 16.336 -3.695 -11.501 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.642 -4.239 -11.502 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.026 -2.525 -11.217 1.00 0.00 H new ATOM 878 N PHE A 60 13.580 -5.109 -7.061 1.00 0.00 N ATOM 879 CA PHE A 60 13.604 -5.576 -5.640 1.00 0.00 C ATOM 880 C PHE A 60 14.723 -6.617 -5.488 1.00 0.00 C ATOM 881 O PHE A 60 14.630 -7.540 -4.705 1.00 0.00 O ATOM 882 CB PHE A 60 12.231 -6.215 -5.427 1.00 0.00 C ATOM 883 CG PHE A 60 11.161 -5.155 -5.567 1.00 0.00 C ATOM 884 CD1 PHE A 60 10.736 -4.738 -6.859 1.00 0.00 C ATOM 885 CD2 PHE A 60 10.580 -4.574 -4.408 1.00 0.00 C ATOM 886 CE1 PHE A 60 9.728 -3.743 -6.989 1.00 0.00 C ATOM 887 CE2 PHE A 60 9.573 -3.580 -4.539 1.00 0.00 C ATOM 888 CZ PHE A 60 9.148 -3.164 -5.829 1.00 0.00 C ATOM 0 H PHE A 60 13.108 -5.741 -7.708 1.00 0.00 H new ATOM 0 HA PHE A 60 13.792 -4.781 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.070 -7.010 -6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.179 -6.673 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.179 -5.177 -7.741 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.904 -4.888 -3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.404 -3.428 -7.970 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.131 -3.141 -3.657 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.384 -2.407 -5.928 1.00 0.00 H new ATOM 898 N LEU A 61 15.773 -6.478 -6.264 1.00 0.00 N ATOM 899 CA LEU A 61 16.904 -7.459 -6.212 1.00 0.00 C ATOM 900 C LEU A 61 17.534 -7.509 -4.818 1.00 0.00 C ATOM 901 O LEU A 61 17.954 -8.556 -4.364 1.00 0.00 O ATOM 902 CB LEU A 61 17.923 -6.951 -7.236 1.00 0.00 C ATOM 903 CG LEU A 61 19.075 -7.951 -7.353 1.00 0.00 C ATOM 904 CD1 LEU A 61 19.698 -7.850 -8.747 1.00 0.00 C ATOM 905 CD2 LEU A 61 20.137 -7.632 -6.298 1.00 0.00 C ATOM 0 H LEU A 61 15.895 -5.721 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 61 16.562 -8.470 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.444 -6.818 -8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.304 -5.976 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 61 18.696 -8.961 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.519 -8.562 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.943 -8.076 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.076 -6.840 -8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.958 -8.344 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.515 -6.622 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.695 -7.702 -5.304 1.00 0.00 H new ATOM 917 N ASP A 62 17.611 -6.392 -4.136 1.00 0.00 N ATOM 918 CA ASP A 62 18.227 -6.385 -2.766 1.00 0.00 C ATOM 919 C ASP A 62 17.597 -7.451 -1.867 1.00 0.00 C ATOM 920 O ASP A 62 18.207 -7.946 -0.938 1.00 0.00 O ATOM 921 CB ASP A 62 17.984 -4.973 -2.212 1.00 0.00 C ATOM 922 CG ASP A 62 16.479 -4.704 -2.063 1.00 0.00 C ATOM 923 OD1 ASP A 62 15.702 -5.367 -2.733 1.00 0.00 O ATOM 924 OD2 ASP A 62 16.130 -3.835 -1.282 1.00 0.00 O ATOM 0 H ASP A 62 17.276 -5.486 -4.465 1.00 0.00 H new ATOM 0 HA ASP A 62 19.290 -6.621 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 62 18.476 -4.866 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 62 18.427 -4.233 -2.879 1.00 0.00 H new ATOM 929 N ASP A 63 16.388 -7.802 -2.159 1.00 0.00 N ATOM 930 CA ASP A 63 15.674 -8.831 -1.371 1.00 0.00 C ATOM 931 C ASP A 63 15.404 -10.093 -2.202 1.00 0.00 C ATOM 932 O ASP A 63 14.658 -10.960 -1.795 1.00 0.00 O ATOM 933 CB ASP A 63 14.363 -8.172 -0.953 1.00 0.00 C ATOM 934 CG ASP A 63 13.572 -7.765 -2.200 1.00 0.00 C ATOM 935 OD1 ASP A 63 13.189 -8.650 -2.948 1.00 0.00 O ATOM 936 OD2 ASP A 63 13.367 -6.578 -2.387 1.00 0.00 O ATOM 0 H ASP A 63 15.849 -7.409 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 63 16.265 -9.157 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.775 -8.861 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.565 -7.296 -0.336 1.00 0.00 H new ATOM 941 N SER A 64 16.013 -10.193 -3.352 1.00 0.00 N ATOM 942 CA SER A 64 15.825 -11.385 -4.248 1.00 0.00 C ATOM 943 C SER A 64 14.352 -11.576 -4.646 1.00 0.00 C ATOM 944 O SER A 64 13.448 -11.473 -3.841 1.00 0.00 O ATOM 945 CB SER A 64 16.332 -12.596 -3.455 1.00 0.00 C ATOM 946 OG SER A 64 16.271 -13.753 -4.279 1.00 0.00 O ATOM 0 H SER A 64 16.648 -9.486 -3.722 1.00 0.00 H new ATOM 0 HA SER A 64 16.373 -11.253 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 64 17.356 -12.425 -3.122 1.00 0.00 H new ATOM 0 HB3 SER A 64 15.726 -12.740 -2.560 1.00 0.00 H new ATOM 0 HG SER A 64 16.596 -14.530 -3.777 1.00 0.00 H new ATOM 952 N ILE A 67 14.117 -11.881 -5.898 1.00 0.00 N ATOM 953 CA ILE A 67 12.719 -12.117 -6.398 1.00 0.00 C ATOM 954 C ILE A 67 11.842 -10.857 -6.162 1.00 0.00 C ATOM 955 O ILE A 67 12.251 -9.762 -6.498 1.00 0.00 O ATOM 956 CB ILE A 67 12.206 -13.361 -5.646 1.00 0.00 C ATOM 957 CG1 ILE A 67 13.275 -14.469 -5.695 1.00 0.00 C ATOM 958 CG2 ILE A 67 10.933 -13.879 -6.337 1.00 0.00 C ATOM 959 CD1 ILE A 67 12.770 -15.704 -4.960 1.00 0.00 C ATOM 0 H ILE A 67 14.843 -11.979 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 67 12.683 -12.295 -7.473 1.00 0.00 H new ATOM 0 HB ILE A 67 11.993 -13.095 -4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.506 -14.719 -6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.200 -14.116 -5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.565 -14.759 -5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 67 10.169 -13.102 -6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.161 -14.144 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.529 -16.485 -4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.562 -15.449 -3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.857 -16.062 -5.435 1.00 0.00 H new ATOM 971 N CYS A 68 10.645 -10.981 -5.606 1.00 0.00 N ATOM 972 CA CYS A 68 9.773 -9.779 -5.380 1.00 0.00 C ATOM 973 C CYS A 68 9.619 -8.953 -6.663 1.00 0.00 C ATOM 974 O CYS A 68 10.093 -7.836 -6.754 1.00 0.00 O ATOM 975 CB CYS A 68 10.463 -8.961 -4.293 1.00 0.00 C ATOM 976 SG CYS A 68 10.299 -9.816 -2.711 1.00 0.00 S ATOM 0 H CYS A 68 10.241 -11.866 -5.301 1.00 0.00 H new ATOM 0 HA CYS A 68 8.767 -10.075 -5.084 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.516 -8.824 -4.538 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.018 -7.968 -4.231 1.00 0.00 H new ATOM 981 N THR A 69 8.949 -9.492 -7.646 1.00 0.00 N ATOM 982 CA THR A 69 8.749 -8.743 -8.921 1.00 0.00 C ATOM 983 C THR A 69 7.280 -8.830 -9.333 1.00 0.00 C ATOM 984 O THR A 69 6.612 -9.796 -9.030 1.00 0.00 O ATOM 985 CB THR A 69 9.657 -9.438 -9.945 1.00 0.00 C ATOM 986 OG1 THR A 69 9.551 -8.771 -11.195 1.00 0.00 O ATOM 987 CG2 THR A 69 9.250 -10.908 -10.110 1.00 0.00 C ATOM 0 H THR A 69 8.530 -10.422 -7.621 1.00 0.00 H new ATOM 0 HA THR A 69 8.996 -7.685 -8.835 1.00 0.00 H new ATOM 0 HB THR A 69 10.687 -9.398 -9.591 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.131 -9.211 -11.851 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.903 -11.387 -10.839 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.339 -11.420 -9.152 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.218 -10.963 -10.456 1.00 0.00 H new ATOM 995 N GLY A 70 6.772 -7.831 -10.008 1.00 0.00 N ATOM 996 CA GLY A 70 5.340 -7.868 -10.425 1.00 0.00 C ATOM 997 C GLY A 70 4.980 -6.588 -11.175 1.00 0.00 C ATOM 998 O GLY A 70 5.748 -6.087 -11.975 1.00 0.00 O ATOM 0 H GLY A 70 7.285 -6.995 -10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.161 -8.735 -11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.701 -7.978 -9.549 1.00 0.00 H new ATOM 1002 N THR A 71 3.808 -6.064 -10.926 1.00 0.00 N ATOM 1003 CA THR A 71 3.372 -4.820 -11.621 1.00 0.00 C ATOM 1004 C THR A 71 2.880 -3.786 -10.609 1.00 0.00 C ATOM 1005 O THR A 71 2.616 -4.095 -9.469 1.00 0.00 O ATOM 1006 CB THR A 71 2.233 -5.255 -12.531 1.00 0.00 C ATOM 1007 OG1 THR A 71 2.683 -6.283 -13.401 1.00 0.00 O ATOM 1008 CG2 THR A 71 1.738 -4.064 -13.351 1.00 0.00 C ATOM 0 H THR A 71 3.131 -6.448 -10.267 1.00 0.00 H new ATOM 0 HA THR A 71 4.187 -4.355 -12.176 1.00 0.00 H new ATOM 0 HB THR A 71 1.412 -5.633 -11.921 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.947 -6.563 -13.985 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.923 -4.383 -14.000 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.383 -3.282 -12.679 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.555 -3.676 -13.959 1.00 0.00 H new ATOM 1016 N SER A 72 2.757 -2.563 -11.037 1.00 0.00 N ATOM 1017 CA SER A 72 2.275 -1.468 -10.141 1.00 0.00 C ATOM 1018 C SER A 72 1.917 -0.253 -11.003 1.00 0.00 C ATOM 1019 O SER A 72 2.758 0.265 -11.713 1.00 0.00 O ATOM 1020 CB SER A 72 3.454 -1.152 -9.216 1.00 0.00 C ATOM 1021 OG SER A 72 3.579 -2.178 -8.242 1.00 0.00 O ATOM 0 H SER A 72 2.974 -2.266 -11.989 1.00 0.00 H new ATOM 0 HA SER A 72 1.391 -1.743 -9.566 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.374 -1.072 -9.796 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.300 -0.189 -8.728 1.00 0.00 H new ATOM 0 HG SER A 72 2.907 -2.871 -8.409 1.00 0.00 H new ATOM 1027 N SER A 73 0.684 0.201 -10.970 1.00 0.00 N ATOM 1028 CA SER A 73 0.308 1.376 -11.816 1.00 0.00 C ATOM 1029 C SER A 73 -0.939 2.065 -11.264 1.00 0.00 C ATOM 1030 O SER A 73 -1.762 1.452 -10.612 1.00 0.00 O ATOM 1031 CB SER A 73 0.025 0.790 -13.198 1.00 0.00 C ATOM 1032 OG SER A 73 1.219 0.225 -13.722 1.00 0.00 O ATOM 0 H SER A 73 -0.068 -0.187 -10.401 1.00 0.00 H new ATOM 0 HA SER A 73 1.095 2.130 -11.839 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.752 0.029 -13.131 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.347 1.567 -13.866 1.00 0.00 H new ATOM 0 HG SER A 73 1.984 0.525 -13.189 1.00 0.00 H new ATOM 1038 N GLY A 74 -1.083 3.341 -11.530 1.00 0.00 N ATOM 1039 CA GLY A 74 -2.277 4.089 -11.034 1.00 0.00 C ATOM 1040 C GLY A 74 -2.359 3.975 -9.512 1.00 0.00 C ATOM 1041 O GLY A 74 -1.426 4.304 -8.805 1.00 0.00 O ATOM 0 H GLY A 74 -0.421 3.897 -12.072 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.210 5.137 -11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.184 3.689 -11.488 1.00 0.00 H new ATOM 1045 N ASN A 75 -3.469 3.504 -9.010 1.00 0.00 N ATOM 1046 CA ASN A 75 -3.625 3.354 -7.535 1.00 0.00 C ATOM 1047 C ASN A 75 -3.595 1.872 -7.131 1.00 0.00 C ATOM 1048 O ASN A 75 -3.929 1.534 -6.012 1.00 0.00 O ATOM 1049 CB ASN A 75 -4.991 3.964 -7.220 1.00 0.00 C ATOM 1050 CG ASN A 75 -4.976 5.459 -7.550 1.00 0.00 C ATOM 1051 OD1 ASN A 75 -5.879 5.960 -8.190 1.00 0.00 O ATOM 1052 ND2 ASN A 75 -3.985 6.199 -7.133 1.00 0.00 N ATOM 0 H ASN A 75 -4.278 3.216 -9.561 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.818 3.842 -6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.767 3.462 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.232 3.816 -6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.969 7.197 -7.345 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.226 5.780 -6.596 1.00 0.00 H new ATOM 1059 N GLN A 76 -3.207 0.985 -8.024 1.00 0.00 N ATOM 1060 CA GLN A 76 -3.172 -0.467 -7.668 1.00 0.00 C ATOM 1061 C GLN A 76 -1.760 -1.027 -7.830 1.00 0.00 C ATOM 1062 O GLN A 76 -1.187 -0.969 -8.903 1.00 0.00 O ATOM 1063 CB GLN A 76 -4.127 -1.135 -8.657 1.00 0.00 C ATOM 1064 CG GLN A 76 -5.561 -0.694 -8.360 1.00 0.00 C ATOM 1065 CD GLN A 76 -6.505 -1.282 -9.409 1.00 0.00 C ATOM 1066 OE1 GLN A 76 -7.174 -0.556 -10.117 1.00 0.00 O ATOM 1067 NE2 GLN A 76 -6.588 -2.578 -9.541 1.00 0.00 N ATOM 0 H GLN A 76 -2.916 1.206 -8.976 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.461 -0.642 -6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.857 -0.866 -9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.046 -2.219 -8.581 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.855 -1.026 -7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.626 0.394 -8.366 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.027 -3.188 -8.947 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.214 -2.981 -10.238 1.00 0.00 H new ATOM 1076 N VAL A 77 -1.192 -1.573 -6.779 1.00 0.00 N ATOM 1077 CA VAL A 77 0.177 -2.135 -6.887 1.00 0.00 C ATOM 1078 C VAL A 77 0.111 -3.671 -6.857 1.00 0.00 C ATOM 1079 O VAL A 77 -0.429 -4.259 -5.941 1.00 0.00 O ATOM 1080 CB VAL A 77 0.972 -1.565 -5.693 1.00 0.00 C ATOM 1081 CG1 VAL A 77 0.736 -0.052 -5.549 1.00 0.00 C ATOM 1082 CG2 VAL A 77 0.599 -2.265 -4.376 1.00 0.00 C ATOM 0 H VAL A 77 -1.622 -1.650 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 77 0.664 -1.864 -7.824 1.00 0.00 H new ATOM 0 HB VAL A 77 2.027 -1.749 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.307 0.326 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.059 0.455 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.325 0.137 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.179 -1.836 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.464 -2.126 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.817 -3.330 -4.456 1.00 0.00 H new ATOM 1092 N ASN A 78 0.643 -4.316 -7.858 1.00 0.00 N ATOM 1093 CA ASN A 78 0.603 -5.806 -7.904 1.00 0.00 C ATOM 1094 C ASN A 78 1.972 -6.409 -7.558 1.00 0.00 C ATOM 1095 O ASN A 78 2.926 -6.272 -8.300 1.00 0.00 O ATOM 1096 CB ASN A 78 0.227 -6.127 -9.351 1.00 0.00 C ATOM 1097 CG ASN A 78 -0.094 -7.615 -9.478 1.00 0.00 C ATOM 1098 OD1 ASN A 78 0.481 -8.445 -8.802 1.00 0.00 O ATOM 1099 ND2 ASN A 78 -1.015 -7.960 -10.339 1.00 0.00 N ATOM 0 H ASN A 78 1.107 -3.873 -8.651 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.101 -6.221 -7.182 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.634 -5.532 -9.654 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.048 -5.863 -10.018 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.264 -8.943 -10.454 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.485 -7.247 -10.896 1.00 0.00 H new ATOM 1105 N LEU A 79 2.064 -7.096 -6.445 1.00 0.00 N ATOM 1106 CA LEU A 79 3.356 -7.740 -6.050 1.00 0.00 C ATOM 1107 C LEU A 79 3.255 -9.257 -6.276 1.00 0.00 C ATOM 1108 O LEU A 79 2.313 -9.887 -5.833 1.00 0.00 O ATOM 1109 CB LEU A 79 3.523 -7.438 -4.553 1.00 0.00 C ATOM 1110 CG LEU A 79 3.764 -5.939 -4.323 1.00 0.00 C ATOM 1111 CD1 LEU A 79 3.680 -5.635 -2.828 1.00 0.00 C ATOM 1112 CD2 LEU A 79 5.156 -5.557 -4.845 1.00 0.00 C ATOM 0 H LEU A 79 1.295 -7.239 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 79 4.201 -7.369 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.632 -7.755 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.359 -8.011 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 79 3.007 -5.363 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.851 -4.571 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.692 -5.906 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.438 -6.211 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.327 -4.493 -4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.914 -6.132 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.217 -5.775 -5.911 1.00 0.00 H new ATOM 1124 N THR A 80 4.208 -9.851 -6.962 1.00 0.00 N ATOM 1125 CA THR A 80 4.144 -11.326 -7.208 1.00 0.00 C ATOM 1126 C THR A 80 5.419 -12.015 -6.710 1.00 0.00 C ATOM 1127 O THR A 80 6.518 -11.528 -6.903 1.00 0.00 O ATOM 1128 CB THR A 80 3.998 -11.480 -8.723 1.00 0.00 C ATOM 1129 OG1 THR A 80 2.857 -10.757 -9.164 1.00 0.00 O ATOM 1130 CG2 THR A 80 3.834 -12.958 -9.071 1.00 0.00 C ATOM 0 H THR A 80 5.021 -9.379 -7.358 1.00 0.00 H new ATOM 0 HA THR A 80 3.314 -11.789 -6.674 1.00 0.00 H new ATOM 0 HB THR A 80 4.888 -11.089 -9.217 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.764 -10.854 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.730 -13.068 -10.150 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.710 -13.511 -8.733 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.945 -13.351 -8.579 1.00 0.00 H new ATOM 1138 N ILE A 81 5.271 -13.147 -6.070 1.00 0.00 N ATOM 1139 CA ILE A 81 6.458 -13.889 -5.546 1.00 0.00 C ATOM 1140 C ILE A 81 6.651 -15.192 -6.325 1.00 0.00 C ATOM 1141 O ILE A 81 5.700 -15.891 -6.612 1.00 0.00 O ATOM 1142 CB ILE A 81 6.108 -14.221 -4.093 1.00 0.00 C ATOM 1143 CG1 ILE A 81 5.961 -12.931 -3.289 1.00 0.00 C ATOM 1144 CG2 ILE A 81 7.217 -15.087 -3.473 1.00 0.00 C ATOM 1145 CD1 ILE A 81 5.132 -13.220 -2.038 1.00 0.00 C ATOM 0 H ILE A 81 4.372 -13.592 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 81 7.374 -13.305 -5.637 1.00 0.00 H new ATOM 0 HB ILE A 81 5.167 -14.770 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.942 -12.546 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.477 -12.163 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.962 -15.320 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.315 -16.013 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 81 8.161 -14.543 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.021 -12.305 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.148 -13.586 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.635 -13.975 -1.434 1.00 0.00 H new ATOM 1157 N GLN A 82 7.873 -15.538 -6.629 1.00 0.00 N ATOM 1158 CA GLN A 82 8.124 -16.817 -7.346 1.00 0.00 C ATOM 1159 C GLN A 82 9.021 -17.721 -6.503 1.00 0.00 C ATOM 1160 O GLN A 82 10.138 -17.373 -6.170 1.00 0.00 O ATOM 1161 CB GLN A 82 8.832 -16.442 -8.639 1.00 0.00 C ATOM 1162 CG GLN A 82 7.933 -15.529 -9.472 1.00 0.00 C ATOM 1163 CD GLN A 82 8.656 -15.135 -10.761 1.00 0.00 C ATOM 1164 OE1 GLN A 82 9.675 -14.474 -10.721 1.00 0.00 O ATOM 1165 NE2 GLN A 82 8.171 -15.517 -11.910 1.00 0.00 N ATOM 0 H GLN A 82 8.705 -14.990 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 82 7.197 -17.357 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.773 -15.938 -8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.078 -17.341 -9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.999 -16.039 -9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.674 -14.637 -8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.316 -16.072 -11.943 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.647 -15.261 -12.775 1.00 0.00 H new ATOM 1174 N GLY A 83 8.535 -18.879 -6.171 1.00 0.00 N ATOM 1175 CA GLY A 83 9.340 -19.840 -5.357 1.00 0.00 C ATOM 1176 C GLY A 83 8.781 -19.919 -3.935 1.00 0.00 C ATOM 1177 O GLY A 83 9.503 -19.761 -2.969 1.00 0.00 O ATOM 0 H GLY A 83 7.605 -19.210 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.320 -20.827 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.382 -19.522 -5.330 1.00 0.00 H new ATOM 1181 N LEU A 84 7.500 -20.154 -3.801 1.00 0.00 N ATOM 1182 CA LEU A 84 6.887 -20.234 -2.444 1.00 0.00 C ATOM 1183 C LEU A 84 6.699 -21.686 -1.998 1.00 0.00 C ATOM 1184 O LEU A 84 6.140 -22.502 -2.706 1.00 0.00 O ATOM 1185 CB LEU A 84 5.533 -19.554 -2.596 1.00 0.00 C ATOM 1186 CG LEU A 84 5.745 -18.060 -2.806 1.00 0.00 C ATOM 1187 CD1 LEU A 84 4.433 -17.425 -3.254 1.00 0.00 C ATOM 1188 CD2 LEU A 84 6.201 -17.424 -1.490 1.00 0.00 C ATOM 0 H LEU A 84 6.852 -20.294 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 84 7.518 -19.763 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.992 -19.979 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.924 -19.726 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 84 6.506 -17.899 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.579 -16.356 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.108 -17.883 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.673 -17.582 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.354 -16.355 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.439 -17.581 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.136 -17.883 -1.169 1.00 0.00 H new ATOM 1200 N ARG A 85 7.146 -21.996 -0.811 1.00 0.00 N ATOM 1201 CA ARG A 85 6.990 -23.375 -0.269 1.00 0.00 C ATOM 1202 C ARG A 85 5.889 -23.381 0.792 1.00 0.00 C ATOM 1203 O ARG A 85 5.300 -22.357 1.086 1.00 0.00 O ATOM 1204 CB ARG A 85 8.339 -23.711 0.367 1.00 0.00 C ATOM 1205 CG ARG A 85 9.375 -23.921 -0.735 1.00 0.00 C ATOM 1206 CD ARG A 85 9.230 -25.333 -1.308 1.00 0.00 C ATOM 1207 NE ARG A 85 10.602 -25.703 -1.773 1.00 0.00 N ATOM 1208 CZ ARG A 85 11.524 -26.129 -0.931 1.00 0.00 C ATOM 1209 NH1 ARG A 85 11.290 -26.222 0.358 1.00 0.00 N ATOM 1210 NH2 ARG A 85 12.700 -26.459 -1.389 1.00 0.00 N ATOM 0 H ARG A 85 7.619 -21.343 -0.186 1.00 0.00 H new ATOM 0 HA ARG A 85 6.715 -24.098 -1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.653 -22.904 1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.253 -24.610 0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.238 -23.181 -1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.380 -23.780 -0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.867 -26.030 -0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.515 -25.354 -2.131 1.00 0.00 H new ATOM 0 HE ARG A 85 10.830 -25.624 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.377 -25.962 0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.021 -26.555 0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.897 -26.386 -2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.422 -26.790 -0.749 1.00 0.00 H new ATOM 1224 N ALA A 86 5.615 -24.518 1.378 1.00 0.00 N ATOM 1225 CA ALA A 86 4.555 -24.583 2.436 1.00 0.00 C ATOM 1226 C ALA A 86 4.929 -23.655 3.592 1.00 0.00 C ATOM 1227 O ALA A 86 4.128 -22.876 4.073 1.00 0.00 O ATOM 1228 CB ALA A 86 4.570 -26.031 2.920 1.00 0.00 C ATOM 0 H ALA A 86 6.077 -25.404 1.172 1.00 0.00 H new ATOM 0 HA ALA A 86 3.577 -24.280 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.819 -26.162 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.347 -26.696 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.555 -26.270 3.322 1.00 0.00 H new ATOM 1234 N MET A 87 6.154 -23.741 4.023 1.00 0.00 N ATOM 1235 CA MET A 87 6.635 -22.883 5.144 1.00 0.00 C ATOM 1236 C MET A 87 6.519 -21.398 4.782 1.00 0.00 C ATOM 1237 O MET A 87 6.159 -20.576 5.604 1.00 0.00 O ATOM 1238 CB MET A 87 8.100 -23.281 5.324 1.00 0.00 C ATOM 1239 CG MET A 87 8.174 -24.688 5.918 1.00 0.00 C ATOM 1240 SD MET A 87 9.905 -25.209 6.023 1.00 0.00 S ATOM 1241 CE MET A 87 10.178 -24.741 7.750 1.00 0.00 C ATOM 0 H MET A 87 6.854 -24.378 3.642 1.00 0.00 H new ATOM 0 HA MET A 87 6.050 -23.022 6.053 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.617 -23.251 4.365 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.604 -22.570 5.979 1.00 0.00 H new ATOM 0 HG2 MET A 87 7.719 -24.701 6.908 1.00 0.00 H new ATOM 0 HG3 MET A 87 7.610 -25.386 5.299 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.203 -24.978 8.034 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.007 -23.671 7.868 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.488 -25.291 8.390 1.00 0.00 H new ATOM 1251 N ASP A 88 6.830 -21.054 3.561 1.00 0.00 N ATOM 1252 CA ASP A 88 6.753 -19.622 3.128 1.00 0.00 C ATOM 1253 C ASP A 88 5.340 -19.064 3.324 1.00 0.00 C ATOM 1254 O ASP A 88 5.161 -17.875 3.508 1.00 0.00 O ATOM 1255 CB ASP A 88 7.129 -19.622 1.646 1.00 0.00 C ATOM 1256 CG ASP A 88 8.625 -19.924 1.493 1.00 0.00 C ATOM 1257 OD1 ASP A 88 9.374 -19.610 2.405 1.00 0.00 O ATOM 1258 OD2 ASP A 88 8.995 -20.463 0.464 1.00 0.00 O ATOM 0 H ASP A 88 7.136 -21.705 2.838 1.00 0.00 H new ATOM 0 HA ASP A 88 7.419 -18.991 3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.541 -20.368 1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.896 -18.654 1.202 1.00 0.00 H new ATOM 1263 N THR A 89 4.335 -19.910 3.284 1.00 0.00 N ATOM 1264 CA THR A 89 2.930 -19.442 3.465 1.00 0.00 C ATOM 1265 C THR A 89 2.813 -18.567 4.709 1.00 0.00 C ATOM 1266 O THR A 89 3.423 -18.837 5.728 1.00 0.00 O ATOM 1267 CB THR A 89 2.107 -20.702 3.630 1.00 0.00 C ATOM 1268 OG1 THR A 89 2.416 -21.614 2.586 1.00 0.00 O ATOM 1269 CG2 THR A 89 0.621 -20.355 3.590 1.00 0.00 C ATOM 0 H THR A 89 4.434 -20.914 3.132 1.00 0.00 H new ATOM 0 HA THR A 89 2.592 -18.841 2.621 1.00 0.00 H new ATOM 0 HB THR A 89 2.341 -21.162 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.925 -22.368 2.950 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.032 -21.264 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.387 -19.663 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.382 -19.890 2.634 1.00 0.00 H new ATOM 1277 N GLY A 90 2.049 -17.520 4.623 1.00 0.00 N ATOM 1278 CA GLY A 90 1.905 -16.609 5.799 1.00 0.00 C ATOM 1279 C GLY A 90 1.382 -15.241 5.360 1.00 0.00 C ATOM 1280 O GLY A 90 0.821 -15.094 4.295 1.00 0.00 O ATOM 0 H GLY A 90 1.517 -17.251 3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.222 -17.049 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.868 -16.494 6.296 1.00 0.00 H new ATOM 1284 N LEU A 91 1.550 -14.246 6.196 1.00 0.00 N ATOM 1285 CA LEU A 91 1.045 -12.875 5.871 1.00 0.00 C ATOM 1286 C LEU A 91 2.079 -12.048 5.099 1.00 0.00 C ATOM 1287 O LEU A 91 3.252 -12.018 5.425 1.00 0.00 O ATOM 1288 CB LEU A 91 0.792 -12.230 7.249 1.00 0.00 C ATOM 1289 CG LEU A 91 -0.076 -10.950 7.151 1.00 0.00 C ATOM 1290 CD1 LEU A 91 0.628 -9.849 6.361 1.00 0.00 C ATOM 1291 CD2 LEU A 91 -1.415 -11.271 6.482 1.00 0.00 C ATOM 0 H LEU A 91 2.020 -14.326 7.098 1.00 0.00 H new ATOM 0 HA LEU A 91 0.159 -12.919 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.298 -12.952 7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.747 -11.984 7.713 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.243 -10.591 8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.012 -8.968 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.565 -9.590 6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.834 -10.201 5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.017 -10.364 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.237 -11.659 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.946 -12.018 7.071 1.00 0.00 H new ATOM 1303 N TYR A 92 1.605 -11.309 4.133 1.00 0.00 N ATOM 1304 CA TYR A 92 2.476 -10.380 3.361 1.00 0.00 C ATOM 1305 C TYR A 92 1.810 -9.001 3.395 1.00 0.00 C ATOM 1306 O TYR A 92 0.630 -8.875 3.122 1.00 0.00 O ATOM 1307 CB TYR A 92 2.547 -10.941 1.941 1.00 0.00 C ATOM 1308 CG TYR A 92 3.554 -12.065 1.907 1.00 0.00 C ATOM 1309 CD1 TYR A 92 4.928 -11.771 1.687 1.00 0.00 C ATOM 1310 CD2 TYR A 92 3.138 -13.409 2.101 1.00 0.00 C ATOM 1311 CE1 TYR A 92 5.885 -12.819 1.660 1.00 0.00 C ATOM 1312 CE2 TYR A 92 4.096 -14.459 2.075 1.00 0.00 C ATOM 1313 CZ TYR A 92 5.469 -14.164 1.854 1.00 0.00 C ATOM 1314 OH TYR A 92 6.398 -15.184 1.829 1.00 0.00 O ATOM 0 H TYR A 92 0.628 -11.311 3.841 1.00 0.00 H new ATOM 0 HA TYR A 92 3.485 -10.286 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 92 1.567 -11.304 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.834 -10.157 1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 92 5.244 -10.749 1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.095 -13.633 2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 92 6.928 -12.595 1.492 1.00 0.00 H new ATOM 0 HE2 TYR A 92 3.781 -15.481 2.223 1.00 0.00 H new ATOM 0 HH TYR A 92 5.947 -16.041 1.980 1.00 0.00 H new ATOM 1324 N ILE A 93 2.534 -7.977 3.775 1.00 0.00 N ATOM 1325 CA ILE A 93 1.912 -6.622 3.882 1.00 0.00 C ATOM 1326 C ILE A 93 2.235 -5.744 2.679 1.00 0.00 C ATOM 1327 O ILE A 93 3.374 -5.555 2.335 1.00 0.00 O ATOM 1328 CB ILE A 93 2.511 -6.008 5.161 1.00 0.00 C ATOM 1329 CG1 ILE A 93 1.951 -6.741 6.380 1.00 0.00 C ATOM 1330 CG2 ILE A 93 2.146 -4.511 5.273 1.00 0.00 C ATOM 1331 CD1 ILE A 93 2.860 -7.898 6.796 1.00 0.00 C ATOM 0 H ILE A 93 3.524 -8.021 4.015 1.00 0.00 H new ATOM 0 HA ILE A 93 0.825 -6.695 3.915 1.00 0.00 H new ATOM 0 HB ILE A 93 3.596 -6.107 5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.844 -6.043 7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.955 -7.121 6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.580 -4.098 6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.539 -3.975 4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.062 -4.402 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.435 -8.400 7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.945 -8.608 5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.848 -7.512 7.047 1.00 0.00 H new ATOM 1343 N CYS A 94 1.232 -5.151 2.095 1.00 0.00 N ATOM 1344 CA CYS A 94 1.469 -4.213 0.968 1.00 0.00 C ATOM 1345 C CYS A 94 1.619 -2.816 1.571 1.00 0.00 C ATOM 1346 O CYS A 94 0.767 -2.380 2.318 1.00 0.00 O ATOM 1347 CB CYS A 94 0.208 -4.297 0.106 1.00 0.00 C ATOM 1348 SG CYS A 94 -1.207 -3.693 1.064 1.00 0.00 S ATOM 0 H CYS A 94 0.253 -5.278 2.353 1.00 0.00 H new ATOM 0 HA CYS A 94 2.356 -4.441 0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.331 -3.702 -0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.036 -5.326 -0.210 1.00 0.00 H new ATOM 1353 N LYS A 95 2.685 -2.117 1.280 1.00 0.00 N ATOM 1354 CA LYS A 95 2.861 -0.757 1.874 1.00 0.00 C ATOM 1355 C LYS A 95 2.873 0.298 0.775 1.00 0.00 C ATOM 1356 O LYS A 95 3.345 0.051 -0.318 1.00 0.00 O ATOM 1357 CB LYS A 95 4.204 -0.800 2.580 1.00 0.00 C ATOM 1358 CG LYS A 95 4.172 -1.790 3.751 1.00 0.00 C ATOM 1359 CD LYS A 95 4.606 -1.067 5.021 1.00 0.00 C ATOM 1360 CE LYS A 95 6.113 -1.223 5.233 1.00 0.00 C ATOM 1361 NZ LYS A 95 6.319 -1.008 6.692 1.00 0.00 N ATOM 0 H LYS A 95 3.436 -2.425 0.662 1.00 0.00 H new ATOM 0 HA LYS A 95 2.051 -0.500 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.982 -1.090 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.460 0.195 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.168 -2.197 3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.835 -2.632 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.349 -0.010 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.068 -1.470 5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.455 -2.212 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.672 -0.496 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.253 -1.373 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.269 0.009 6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.580 -1.509 7.225 1.00 0.00 H new ATOM 1375 N VAL A 96 2.347 1.465 1.050 1.00 0.00 N ATOM 1376 CA VAL A 96 2.317 2.532 0.007 1.00 0.00 C ATOM 1377 C VAL A 96 2.569 3.897 0.649 1.00 0.00 C ATOM 1378 O VAL A 96 1.692 4.453 1.298 1.00 0.00 O ATOM 1379 CB VAL A 96 0.898 2.475 -0.570 1.00 0.00 C ATOM 1380 CG1 VAL A 96 0.787 3.423 -1.772 1.00 0.00 C ATOM 1381 CG2 VAL A 96 0.561 1.038 -0.999 1.00 0.00 C ATOM 0 H VAL A 96 1.939 1.723 1.948 1.00 0.00 H new ATOM 0 HA VAL A 96 3.080 2.387 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 96 0.189 2.788 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.223 3.379 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.005 4.442 -1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.500 3.122 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.449 1.008 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.270 0.709 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.623 0.376 -0.135 1.00 0.00 H new ATOM 1391 N GLU A 97 3.750 4.441 0.481 1.00 0.00 N ATOM 1392 CA GLU A 97 4.040 5.768 1.092 1.00 0.00 C ATOM 1393 C GLU A 97 4.708 6.707 0.100 1.00 0.00 C ATOM 1394 O GLU A 97 5.600 6.330 -0.635 1.00 0.00 O ATOM 1395 CB GLU A 97 5.014 5.495 2.242 1.00 0.00 C ATOM 1396 CG GLU A 97 4.348 4.606 3.311 1.00 0.00 C ATOM 1397 CD GLU A 97 3.038 5.229 3.826 1.00 0.00 C ATOM 1398 OE1 GLU A 97 2.856 6.419 3.663 1.00 0.00 O ATOM 1399 OE2 GLU A 97 2.237 4.496 4.381 1.00 0.00 O ATOM 0 H GLU A 97 4.517 4.025 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 97 3.115 6.242 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.910 5.006 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.331 6.437 2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.143 3.621 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.035 4.460 4.144 1.00 0.00 H new ATOM 1406 N LEU A 98 4.324 7.944 0.130 1.00 0.00 N ATOM 1407 CA LEU A 98 4.972 8.957 -0.740 1.00 0.00 C ATOM 1408 C LEU A 98 6.069 9.539 0.137 1.00 0.00 C ATOM 1409 O LEU A 98 5.879 10.538 0.795 1.00 0.00 O ATOM 1410 CB LEU A 98 3.877 9.997 -1.055 1.00 0.00 C ATOM 1411 CG LEU A 98 2.521 9.319 -1.352 1.00 0.00 C ATOM 1412 CD1 LEU A 98 1.547 10.343 -1.929 1.00 0.00 C ATOM 1413 CD2 LEU A 98 2.703 8.166 -2.347 1.00 0.00 C ATOM 0 H LEU A 98 3.579 8.303 0.727 1.00 0.00 H new ATOM 0 HA LEU A 98 5.388 8.590 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.767 10.678 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.180 10.598 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 98 2.121 8.919 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.592 9.860 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.397 11.148 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.955 10.753 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.738 7.700 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.117 8.551 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.384 7.426 -1.926 1.00 0.00 H new ATOM 1425 N MET A 99 7.183 8.855 0.227 1.00 0.00 N ATOM 1426 CA MET A 99 8.244 9.309 1.168 1.00 0.00 C ATOM 1427 C MET A 99 9.087 10.448 0.591 1.00 0.00 C ATOM 1428 O MET A 99 9.587 11.291 1.327 1.00 0.00 O ATOM 1429 CB MET A 99 9.125 8.076 1.405 1.00 0.00 C ATOM 1430 CG MET A 99 8.330 7.023 2.174 1.00 0.00 C ATOM 1431 SD MET A 99 9.421 6.161 3.333 1.00 0.00 S ATOM 1432 CE MET A 99 8.507 6.568 4.843 1.00 0.00 C ATOM 0 H MET A 99 7.399 8.012 -0.305 1.00 0.00 H new ATOM 0 HA MET A 99 7.801 9.700 2.084 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.462 7.668 0.452 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.017 8.355 1.966 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.510 7.496 2.715 1.00 0.00 H new ATOM 0 HG3 MET A 99 7.885 6.310 1.480 1.00 0.00 H new ATOM 0 HE1 MET A 99 9.091 6.268 5.713 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.325 7.642 4.880 1.00 0.00 H new ATOM 0 HE3 MET A 99 7.554 6.039 4.845 1.00 0.00 H new ATOM 1442 N TYR A 100 9.258 10.491 -0.710 1.00 0.00 N ATOM 1443 CA TYR A 100 10.088 11.575 -1.320 1.00 0.00 C ATOM 1444 C TYR A 100 9.326 12.948 -1.350 1.00 0.00 C ATOM 1445 O TYR A 100 9.903 13.944 -1.002 1.00 0.00 O ATOM 1446 CB TYR A 100 10.450 11.057 -2.725 1.00 0.00 C ATOM 1447 CG TYR A 100 11.493 9.951 -2.592 1.00 0.00 C ATOM 1448 CD1 TYR A 100 11.088 8.610 -2.335 1.00 0.00 C ATOM 1449 CD2 TYR A 100 12.877 10.260 -2.717 1.00 0.00 C ATOM 1450 CE1 TYR A 100 12.066 7.587 -2.207 1.00 0.00 C ATOM 1451 CE2 TYR A 100 13.853 9.234 -2.588 1.00 0.00 C ATOM 1452 CZ TYR A 100 13.450 7.900 -2.334 1.00 0.00 C ATOM 1453 OH TYR A 100 14.399 6.901 -2.207 1.00 0.00 O ATOM 0 H TYR A 100 8.860 9.825 -1.372 1.00 0.00 H new ATOM 0 HA TYR A 100 10.985 11.783 -0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 100 9.560 10.677 -3.227 1.00 0.00 H new ATOM 0 HB3 TYR A 100 10.839 11.870 -3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 100 10.039 8.371 -2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 100 13.187 11.276 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.759 6.570 -2.013 1.00 0.00 H new ATOM 0 HE2 TYR A 100 14.902 9.472 -2.684 1.00 0.00 H new ATOM 0 HH TYR A 100 15.294 7.283 -2.322 1.00 0.00 H new ATOM 1463 N PRO A 101 8.079 12.956 -1.834 1.00 0.00 N ATOM 1464 CA PRO A 101 7.264 14.233 -1.926 1.00 0.00 C ATOM 1465 C PRO A 101 6.725 14.738 -0.607 1.00 0.00 C ATOM 1466 O PRO A 101 5.909 14.070 0.007 1.00 0.00 O ATOM 1467 CB PRO A 101 6.082 13.847 -2.817 1.00 0.00 C ATOM 1468 CG PRO A 101 5.957 12.371 -2.675 1.00 0.00 C ATOM 1469 CD PRO A 101 7.318 11.800 -2.331 1.00 0.00 C ATOM 0 HA PRO A 101 7.894 15.041 -2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.169 14.352 -2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.261 14.130 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.236 12.126 -1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 101 5.586 11.932 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.242 11.018 -1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.795 11.354 -3.204 1.00 0.00 H new ATOM 1477 N PRO A 102 7.102 15.960 -0.235 1.00 0.00 N ATOM 1478 CA PRO A 102 6.535 16.489 0.969 1.00 0.00 C ATOM 1479 C PRO A 102 5.033 17.135 0.687 1.00 0.00 C ATOM 1480 O PRO A 102 4.823 17.411 -0.467 1.00 0.00 O ATOM 1481 CB PRO A 102 7.508 17.658 1.354 1.00 0.00 C ATOM 1482 CG PRO A 102 8.079 18.092 -0.003 1.00 0.00 C ATOM 1483 CD PRO A 102 8.149 16.868 -0.839 1.00 0.00 C ATOM 0 HA PRO A 102 6.424 15.722 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.982 18.474 1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 102 8.292 17.324 2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.443 18.845 -0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.066 18.538 0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.935 17.085 -1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 102 9.140 16.415 -0.804 1.00 0.00 H new ATOM 1491 N PRO A 103 4.070 17.082 1.699 1.00 0.00 N ATOM 1492 CA PRO A 103 5.034 16.640 2.777 1.00 0.00 C ATOM 1493 C PRO A 103 4.618 15.200 3.283 1.00 0.00 C ATOM 1494 O PRO A 103 4.654 14.938 4.482 1.00 0.00 O ATOM 1495 CB PRO A 103 5.204 17.698 3.941 1.00 0.00 C ATOM 1496 CG PRO A 103 3.931 18.376 3.868 1.00 0.00 C ATOM 1497 CD PRO A 103 3.248 17.376 2.991 1.00 0.00 C ATOM 0 HA PRO A 103 6.033 16.576 2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.367 17.226 4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.043 18.372 3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.451 18.496 4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 103 3.996 19.368 3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.098 16.449 3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.261 17.747 2.717 1.00 0.00 H new ATOM 1505 N TYR A 104 4.577 14.279 2.417 1.00 0.00 N ATOM 1506 CA TYR A 104 4.361 12.831 2.733 1.00 0.00 C ATOM 1507 C TYR A 104 3.081 12.588 3.526 1.00 0.00 C ATOM 1508 O TYR A 104 2.910 13.093 4.620 1.00 0.00 O ATOM 1509 CB TYR A 104 5.564 12.306 3.637 1.00 0.00 C ATOM 1510 CG TYR A 104 5.387 10.862 3.968 1.00 0.00 C ATOM 1511 CD1 TYR A 104 4.673 10.000 3.104 1.00 0.00 C ATOM 1512 CD2 TYR A 104 5.992 10.371 5.141 1.00 0.00 C ATOM 1513 CE1 TYR A 104 4.564 8.620 3.412 1.00 0.00 C ATOM 1514 CE2 TYR A 104 5.905 8.987 5.464 1.00 0.00 C ATOM 1515 CZ TYR A 104 5.192 8.103 4.595 1.00 0.00 C ATOM 1516 OH TYR A 104 5.135 6.758 4.877 1.00 0.00 O ATOM 0 H TYR A 104 4.690 14.459 1.419 1.00 0.00 H new ATOM 0 HA TYR A 104 4.296 12.310 1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.509 12.450 3.113 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.617 12.890 4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.211 10.392 2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.523 11.045 5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 104 4.011 7.961 2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.374 8.607 6.359 1.00 0.00 H new ATOM 0 HH TYR A 104 4.995 6.631 5.839 1.00 0.00 H new ATOM 1526 N TYR A 105 2.159 11.823 2.972 1.00 0.00 N ATOM 1527 CA TYR A 105 0.822 11.507 3.643 1.00 0.00 C ATOM 1528 C TYR A 105 0.156 10.334 2.915 1.00 0.00 C ATOM 1529 O TYR A 105 -0.359 10.514 1.831 1.00 0.00 O ATOM 1530 CB TYR A 105 -0.102 12.748 3.505 1.00 0.00 C ATOM 1531 CG TYR A 105 0.053 13.390 2.177 1.00 0.00 C ATOM 1532 CD1 TYR A 105 1.058 14.343 1.994 1.00 0.00 C ATOM 1533 CD2 TYR A 105 -0.824 13.049 1.114 1.00 0.00 C ATOM 1534 CE1 TYR A 105 1.207 14.975 0.735 1.00 0.00 C ATOM 1535 CE2 TYR A 105 -0.690 13.685 -0.145 1.00 0.00 C ATOM 1536 CZ TYR A 105 0.331 14.653 -0.337 1.00 0.00 C ATOM 1537 OH TYR A 105 0.457 15.316 -1.543 1.00 0.00 O ATOM 0 H TYR A 105 2.271 11.387 2.057 1.00 0.00 H new ATOM 0 HA TYR A 105 0.984 11.256 4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.140 12.449 3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 105 0.133 13.468 4.289 1.00 0.00 H new ATOM 0 HD1 TYR A 105 1.719 14.597 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -1.593 12.305 1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 105 1.990 15.705 0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -1.360 13.435 -0.954 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.379 15.784 -1.748 1.00 0.00 H new ATOM 1547 N LEU A 106 0.153 9.155 3.491 1.00 0.00 N ATOM 1548 CA LEU A 106 -0.492 7.972 2.803 1.00 0.00 C ATOM 1549 C LEU A 106 -0.855 6.856 3.817 1.00 0.00 C ATOM 1550 O LEU A 106 -1.169 7.133 4.962 1.00 0.00 O ATOM 1551 CB LEU A 106 0.551 7.491 1.781 1.00 0.00 C ATOM 1552 CG LEU A 106 -0.134 7.264 0.439 1.00 0.00 C ATOM 1553 CD1 LEU A 106 -0.585 8.617 -0.117 1.00 0.00 C ATOM 1554 CD2 LEU A 106 0.842 6.613 -0.539 1.00 0.00 C ATOM 0 H LEU A 106 0.565 8.953 4.402 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.433 8.243 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.345 8.231 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.018 6.568 2.126 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.994 6.607 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.077 8.470 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.282 9.083 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.283 9.264 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.346 6.454 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.704 7.265 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.174 5.655 -0.138 1.00 0.00 H new ATOM 1566 N GLY A 108 -0.835 5.605 3.405 1.00 0.00 N ATOM 1567 CA GLY A 108 -1.205 4.516 4.358 1.00 0.00 C ATOM 1568 C GLY A 108 -0.586 3.192 3.931 1.00 0.00 C ATOM 1569 O GLY A 108 0.026 3.078 2.888 1.00 0.00 O ATOM 0 H GLY A 108 -0.582 5.300 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.867 4.774 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.290 4.418 4.402 1.00 0.00 H new ATOM 1573 N ILE A 109 -0.742 2.192 4.752 1.00 0.00 N ATOM 1574 CA ILE A 109 -0.178 0.862 4.444 1.00 0.00 C ATOM 1575 C ILE A 109 -1.307 -0.170 4.380 1.00 0.00 C ATOM 1576 O ILE A 109 -2.398 0.064 4.864 1.00 0.00 O ATOM 1577 CB ILE A 109 0.743 0.570 5.633 1.00 0.00 C ATOM 1578 CG1 ILE A 109 1.840 1.631 5.761 1.00 0.00 C ATOM 1579 CG2 ILE A 109 1.367 -0.808 5.477 1.00 0.00 C ATOM 1580 CD1 ILE A 109 2.652 1.688 4.479 1.00 0.00 C ATOM 0 H ILE A 109 -1.246 2.248 5.637 1.00 0.00 H new ATOM 0 HA ILE A 109 0.347 0.826 3.489 1.00 0.00 H new ATOM 0 HB ILE A 109 0.142 0.596 6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 109 1.395 2.605 5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.490 1.396 6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 109 2.021 -1.010 6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.580 -1.561 5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 109 1.948 -0.842 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.431 2.444 4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 109 3.110 0.716 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 109 1.998 1.944 3.645 1.00 0.00 H new ATOM 1592 N GLY A 110 -1.036 -1.311 3.807 1.00 0.00 N ATOM 1593 CA GLY A 110 -2.068 -2.384 3.721 1.00 0.00 C ATOM 1594 C GLY A 110 -1.887 -3.320 4.913 1.00 0.00 C ATOM 1595 O GLY A 110 -0.774 -3.621 5.302 1.00 0.00 O ATOM 0 H GLY A 110 -0.135 -1.548 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.068 -1.950 3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.965 -2.935 2.786 1.00 0.00 H new ATOM 1599 N ASN A 111 -2.964 -3.770 5.507 1.00 0.00 N ATOM 1600 CA ASN A 111 -2.838 -4.673 6.689 1.00 0.00 C ATOM 1601 C ASN A 111 -2.081 -5.948 6.308 1.00 0.00 C ATOM 1602 O ASN A 111 -1.272 -6.443 7.071 1.00 0.00 O ATOM 1603 CB ASN A 111 -4.266 -5.000 7.125 1.00 0.00 C ATOM 1604 CG ASN A 111 -4.235 -5.516 8.565 1.00 0.00 C ATOM 1605 OD1 ASN A 111 -3.541 -4.822 9.433 1.00 0.00 O flip ATOM 1606 ND2 ASN A 111 -4.827 -6.526 8.889 1.00 0.00 N flip ATOM 0 H ASN A 111 -3.920 -3.552 5.226 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.278 -4.201 7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.895 -4.112 7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.700 -5.750 6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.361 -7.049 8.195 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.790 -6.851 9.855 1.00 0.00 H new ATOM 1612 N GLY A 112 -2.314 -6.468 5.126 1.00 0.00 N ATOM 1613 CA GLY A 112 -1.576 -7.692 4.695 1.00 0.00 C ATOM 1614 C GLY A 112 -2.520 -8.781 4.188 1.00 0.00 C ATOM 1615 O GLY A 112 -3.635 -8.936 4.646 1.00 0.00 O ATOM 0 H GLY A 112 -2.979 -6.099 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.869 -7.430 3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.994 -8.078 5.532 1.00 0.00 H new ATOM 1619 N THR A 113 -2.038 -9.555 3.253 1.00 0.00 N ATOM 1620 CA THR A 113 -2.833 -10.680 2.689 1.00 0.00 C ATOM 1621 C THR A 113 -2.101 -11.983 2.981 1.00 0.00 C ATOM 1622 O THR A 113 -0.891 -12.046 2.852 1.00 0.00 O ATOM 1623 CB THR A 113 -2.841 -10.450 1.172 1.00 0.00 C ATOM 1624 OG1 THR A 113 -3.458 -9.205 0.878 1.00 0.00 O ATOM 1625 CG2 THR A 113 -3.593 -11.594 0.470 1.00 0.00 C ATOM 0 H THR A 113 -1.107 -9.451 2.849 1.00 0.00 H new ATOM 0 HA THR A 113 -3.839 -10.730 3.106 1.00 0.00 H new ATOM 0 HB THR A 113 -1.814 -10.431 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 113 -4.432 -9.311 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.594 -11.422 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.098 -12.541 0.686 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.620 -11.630 0.832 1.00 0.00 H new ATOM 1633 N GLN A 114 -2.803 -13.028 3.331 1.00 0.00 N ATOM 1634 CA GLN A 114 -2.084 -14.312 3.572 1.00 0.00 C ATOM 1635 C GLN A 114 -1.998 -15.081 2.255 1.00 0.00 C ATOM 1636 O GLN A 114 -2.984 -15.255 1.568 1.00 0.00 O ATOM 1637 CB GLN A 114 -2.883 -15.107 4.615 1.00 0.00 C ATOM 1638 CG GLN A 114 -2.108 -16.384 4.950 1.00 0.00 C ATOM 1639 CD GLN A 114 -2.399 -16.811 6.387 1.00 0.00 C ATOM 1640 OE1 GLN A 114 -3.447 -16.514 6.925 1.00 0.00 O ATOM 1641 NE2 GLN A 114 -1.502 -17.504 7.035 1.00 0.00 N ATOM 0 H GLN A 114 -3.815 -13.051 3.458 1.00 0.00 H new ATOM 0 HA GLN A 114 -1.073 -14.141 3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -3.034 -14.509 5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -3.871 -15.354 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -2.389 -17.181 4.261 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -1.039 -16.214 4.822 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -0.623 -17.752 6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -1.680 -17.797 7.995 1.00 0.00 H new ATOM 1650 N ILE A 115 -0.830 -15.540 1.890 1.00 0.00 N ATOM 1651 CA ILE A 115 -0.710 -16.303 0.620 1.00 0.00 C ATOM 1652 C ILE A 115 -0.824 -17.801 0.943 1.00 0.00 C ATOM 1653 O ILE A 115 -0.184 -18.294 1.861 1.00 0.00 O ATOM 1654 CB ILE A 115 0.670 -15.955 0.043 1.00 0.00 C ATOM 1655 CG1 ILE A 115 0.702 -14.474 -0.346 1.00 0.00 C ATOM 1656 CG2 ILE A 115 0.945 -16.805 -1.203 1.00 0.00 C ATOM 1657 CD1 ILE A 115 2.116 -14.087 -0.785 1.00 0.00 C ATOM 0 H ILE A 115 0.037 -15.420 2.413 1.00 0.00 H new ATOM 0 HA ILE A 115 -1.489 -16.057 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 115 1.431 -16.158 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.005 -14.285 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.392 -13.859 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 115 1.926 -16.552 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 115 0.924 -17.861 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 115 0.181 -16.606 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.135 -13.033 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.812 -14.260 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.409 -14.692 -1.643 1.00 0.00 H new ATOM 1669 N TYR A 116 -1.642 -18.513 0.207 1.00 0.00 N ATOM 1670 CA TYR A 116 -1.829 -19.976 0.460 1.00 0.00 C ATOM 1671 C TYR A 116 -1.148 -20.822 -0.616 1.00 0.00 C ATOM 1672 O TYR A 116 -1.066 -20.431 -1.766 1.00 0.00 O ATOM 1673 CB TYR A 116 -3.348 -20.214 0.377 1.00 0.00 C ATOM 1674 CG TYR A 116 -4.100 -19.764 1.633 1.00 0.00 C ATOM 1675 CD1 TYR A 116 -3.432 -19.583 2.888 1.00 0.00 C ATOM 1676 CD2 TYR A 116 -5.513 -19.569 1.561 1.00 0.00 C ATOM 1677 CE1 TYR A 116 -4.173 -19.205 4.040 1.00 0.00 C ATOM 1678 CE2 TYR A 116 -6.245 -19.210 2.717 1.00 0.00 C ATOM 1679 CZ TYR A 116 -5.576 -19.025 3.956 1.00 0.00 C ATOM 1680 OH TYR A 116 -6.295 -18.675 5.082 1.00 0.00 O ATOM 0 H TYR A 116 -2.193 -18.139 -0.566 1.00 0.00 H new ATOM 0 HA TYR A 116 -1.397 -20.256 1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -3.746 -19.681 -0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -3.534 -21.275 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -2.365 -19.734 2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -6.025 -19.696 0.619 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.666 -19.055 4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -7.315 -19.076 2.657 1.00 0.00 H new ATOM 0 HH TYR A 116 -7.244 -18.591 4.851 1.00 0.00 H new ATOM 1690 N VAL A 117 -0.703 -22.002 -0.256 1.00 0.00 N ATOM 1691 CA VAL A 117 -0.076 -22.904 -1.264 1.00 0.00 C ATOM 1692 C VAL A 117 -1.189 -23.648 -1.995 1.00 0.00 C ATOM 1693 O VAL A 117 -2.339 -23.608 -1.599 1.00 0.00 O ATOM 1694 CB VAL A 117 0.810 -23.885 -0.483 1.00 0.00 C ATOM 1695 CG1 VAL A 117 1.416 -24.914 -1.454 1.00 0.00 C ATOM 1696 CG2 VAL A 117 1.938 -23.115 0.221 1.00 0.00 C ATOM 0 H VAL A 117 -0.748 -22.376 0.692 1.00 0.00 H new ATOM 0 HA VAL A 117 0.520 -22.361 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 117 0.207 -24.402 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.045 -25.611 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.615 -25.463 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.018 -24.398 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.565 -23.814 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.543 -22.595 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.508 -22.389 0.911 1.00 0.00 H new