USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1058 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 21 LYS NZ :NH3+ -171:sc= -0.0301 (180deg=-0.14) USER MOD Set 1.2: B 150 MET CE :methyl -172:sc= 0 (180deg=-0.135) USER MOD Set 2.1: B 105 HIS : no HD1:sc= -1.08 K(o=-11,f=-7.5) USER MOD Set 2.2: B 108 ASN : amide:sc= -0.753 K(o=-11,f=-11!) USER MOD Set 2.3: B 109 GLN : amide:sc= -7.29! C(o=-11!,f=-4.1!) USER MOD Set 2.4: B 112 GLN : amide:sc= -1.95 K(o=-11,f=-4.1) USER MOD Set 3.1: A 54 MET CE :methyl 160:sc= -1.77 (180deg=-2.63!) USER MOD Set 3.2: A 71 LYS NZ :NH3+ 170:sc=-0.00297 (180deg=-0.131) USER MOD Set 4.1: A 20 HIS : no HE2:sc= 0.112 K(o=0.1,f=-2.4) USER MOD Set 4.2: A 24 GLN : amide:sc= -0.0108 K(o=0.1,f=-2.2!) USER MOD Set 5.1: A 17 HIS : no HD1:sc= -0.145 K(o=-0.94,f=-1.7) USER MOD Set 5.2: B 141 MET CE :methyl -175:sc= -0.796 (180deg=-0.866) USER MOD Set 6.1: A 4 LYS NZ :NH3+ -123:sc= 2.37 (180deg=0.0473) USER MOD Set 6.2: A 59 ASN : amide:sc= 0.0121 K(o=2.4,f=0.96) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 7 HIS : no HD1:sc= -0.833 K(o=-0.83,f=0.2) USER MOD Single : A 9 HIS : no HD1:sc= -0.98 K(o=-0.98,f=-0.24) USER MOD Single : A 11 THR OG1 : rot 62:sc= 0.482 USER MOD Single : A 12 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.058) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -96:sc= -0.525 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 149:sc= -3.93 (180deg=-4.93!) USER MOD Single : A 42 ASN : amide:sc= -1.65! K(o=-1.7!,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0377 (180deg=-0.338) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc=-0.00751 (180deg=-0.156) USER MOD Single : A 55 TYR OH : rot 150:sc=-0.00766 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.181 USER MOD Single : A 64 TYR OH : rot 27:sc= 0.962 USER MOD Single : A 65 TYR OH : rot 150:sc= -2.89! USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.995 K(o=-0.99,f=-2.5!) USER MOD Single : A 77 LYS NZ :NH3+ -143:sc= -1.09! (180deg=-3.44!) USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 0.722 (180deg=0.582) USER MOD Single : A 85 SER OG : rot 59:sc= 1.22 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 103 MET CE :methyl -166:sc= -0.0504 (180deg=-0.339) USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 THR OG1 : rot 81:sc= 1.38 USER MOD Single : B 116 THR OG1 : rot 68:sc= 1.24 USER MOD Single : B 117 SER OG : rot 170:sc= 0.00104 USER MOD Single : B 119 SER OG : rot 60:sc= 1.24 USER MOD Single : B 121 SER OG : rot -133:sc= 1.22 USER MOD Single : B 122 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : B 123 SER OG : rot 49:sc= 0.18 USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 170:sc= 0.237 USER MOD Single : B 139 CYS SG : rot -93:sc= 1.24 USER MOD Single : B 143 SER OG : rot 180:sc= 0.477 USER MOD Single : B 147 SER OG : rot 81:sc= 0.394 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.344 -0.270 10.312 1.00 0.00 N ATOM 2 CA GLY A 1 -13.356 -0.611 11.736 1.00 0.00 C ATOM 3 C GLY A 1 -14.439 0.142 12.466 1.00 0.00 C ATOM 4 O GLY A 1 -15.372 -0.467 13.005 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.589 -0.802 9.834 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.262 -0.515 9.889 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.172 0.750 10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.511 -1.683 11.855 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.387 -0.378 12.177 1.00 0.00 H new ATOM 10 N VAL A 2 -14.323 1.455 12.499 1.00 0.00 N ATOM 11 CA VAL A 2 -15.319 2.313 13.111 1.00 0.00 C ATOM 12 C VAL A 2 -16.572 2.354 12.291 1.00 0.00 C ATOM 13 O VAL A 2 -16.604 1.875 11.140 1.00 0.00 O ATOM 14 CB VAL A 2 -14.805 3.739 13.410 1.00 0.00 C ATOM 15 CG1 VAL A 2 -13.692 3.680 14.423 1.00 0.00 C ATOM 16 CG2 VAL A 2 -14.340 4.447 12.142 1.00 0.00 C ATOM 0 H VAL A 2 -13.531 1.959 12.100 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.547 1.866 14.078 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.632 4.318 13.820 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.334 4.689 14.629 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.062 3.231 15.345 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.873 3.078 14.029 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.986 5.447 12.393 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.530 3.879 11.684 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -15.172 4.522 11.441 1.00 0.00 H new ATOM 26 N ARG A 3 -17.594 2.917 12.843 1.00 0.00 N ATOM 27 CA ARG A 3 -18.852 2.824 12.213 1.00 0.00 C ATOM 28 C ARG A 3 -19.129 3.982 11.293 1.00 0.00 C ATOM 29 O ARG A 3 -19.524 5.074 11.720 1.00 0.00 O ATOM 30 CB ARG A 3 -19.972 2.596 13.212 1.00 0.00 C ATOM 31 CG ARG A 3 -21.104 1.795 12.634 1.00 0.00 C ATOM 32 CD ARG A 3 -20.640 0.372 12.337 1.00 0.00 C ATOM 33 NE ARG A 3 -21.654 -0.401 11.620 1.00 0.00 N ATOM 34 CZ ARG A 3 -21.598 -1.711 11.361 1.00 0.00 C ATOM 35 NH1 ARG A 3 -20.552 -2.434 11.764 1.00 0.00 N ATOM 36 NH2 ARG A 3 -22.584 -2.288 10.675 1.00 0.00 N ATOM 0 H ARG A 3 -17.577 3.439 13.719 1.00 0.00 H new ATOM 0 HA ARG A 3 -18.814 1.940 11.576 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.575 2.080 14.086 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -20.350 3.559 13.555 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -21.940 1.775 13.333 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -21.464 2.267 11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.725 0.406 11.745 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.396 -0.131 13.272 1.00 0.00 H new ATOM 0 HE ARG A 3 -22.476 0.104 11.289 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.789 -1.987 12.273 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.515 -3.433 11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -23.374 -1.730 10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -22.548 -3.287 10.473 1.00 0.00 H new ATOM 50 N LYS A 4 -18.853 3.749 10.040 1.00 0.00 N ATOM 51 CA LYS A 4 -19.127 4.677 8.990 1.00 0.00 C ATOM 52 C LYS A 4 -19.920 3.966 7.926 1.00 0.00 C ATOM 53 O LYS A 4 -19.480 2.944 7.416 1.00 0.00 O ATOM 54 CB LYS A 4 -17.829 5.239 8.429 1.00 0.00 C ATOM 55 CG LYS A 4 -17.026 5.944 9.478 1.00 0.00 C ATOM 56 CD LYS A 4 -15.774 6.574 8.942 1.00 0.00 C ATOM 57 CE LYS A 4 -15.153 7.405 10.013 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.155 8.351 9.485 1.00 0.00 N ATOM 0 H LYS A 4 -18.420 2.884 9.717 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.706 5.519 9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.237 4.429 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.054 5.931 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.643 6.714 9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.761 5.234 10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.077 5.804 8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.005 7.190 8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.932 7.959 10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.678 6.752 10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.241 8.188 9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.050 8.209 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.469 9.325 9.669 1.00 0.00 H new ATOM 72 N GLY A 5 -21.072 4.520 7.591 1.00 0.00 N ATOM 73 CA GLY A 5 -22.032 3.899 6.676 1.00 0.00 C ATOM 74 C GLY A 5 -21.477 3.555 5.303 1.00 0.00 C ATOM 75 O GLY A 5 -22.003 2.673 4.615 1.00 0.00 O ATOM 0 H GLY A 5 -21.377 5.425 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.413 2.988 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.880 4.572 6.551 1.00 0.00 H new ATOM 79 N TRP A 6 -20.416 4.211 4.905 1.00 0.00 N ATOM 80 CA TRP A 6 -19.812 3.942 3.623 1.00 0.00 C ATOM 81 C TRP A 6 -19.022 2.629 3.620 1.00 0.00 C ATOM 82 O TRP A 6 -18.525 2.220 2.581 1.00 0.00 O ATOM 83 CB TRP A 6 -18.942 5.112 3.142 1.00 0.00 C ATOM 84 CG TRP A 6 -17.851 5.483 4.081 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.912 6.438 5.028 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.535 4.915 4.157 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.732 6.508 5.695 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.863 5.578 5.188 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.868 3.910 3.458 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.549 5.266 5.543 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.573 3.608 3.806 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.931 4.278 4.836 1.00 0.00 C ATOM 0 H TRP A 6 -19.951 4.937 5.451 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.632 3.829 2.914 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.505 4.853 2.178 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.579 5.982 2.980 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.774 7.058 5.228 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.524 7.154 6.457 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.360 3.378 2.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -14.044 5.786 6.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.046 2.835 3.267 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.915 4.010 5.085 1.00 0.00 H new ATOM 103 N HIS A 7 -18.898 1.967 4.779 1.00 0.00 N ATOM 104 CA HIS A 7 -18.183 0.677 4.847 1.00 0.00 C ATOM 105 C HIS A 7 -18.865 -0.378 3.956 1.00 0.00 C ATOM 106 O HIS A 7 -18.223 -1.284 3.468 1.00 0.00 O ATOM 107 CB HIS A 7 -18.043 0.137 6.301 1.00 0.00 C ATOM 108 CG HIS A 7 -19.300 -0.460 6.918 1.00 0.00 C ATOM 109 ND1 HIS A 7 -19.482 -1.814 7.129 1.00 0.00 N ATOM 110 CD2 HIS A 7 -20.428 0.136 7.374 1.00 0.00 C ATOM 111 CE1 HIS A 7 -20.680 -1.989 7.685 1.00 0.00 C ATOM 112 NE2 HIS A 7 -21.299 -0.832 7.857 1.00 0.00 N ATOM 0 H HIS A 7 -19.275 2.293 5.669 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.176 0.867 4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.262 -0.623 6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.702 0.953 6.939 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.620 1.199 7.364 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.092 -2.949 7.959 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -22.224 -0.682 8.261 1.00 0.00 H new ATOM 120 N GLU A 8 -20.167 -0.221 3.731 1.00 0.00 N ATOM 121 CA GLU A 8 -20.920 -1.154 2.886 1.00 0.00 C ATOM 122 C GLU A 8 -20.659 -0.864 1.412 1.00 0.00 C ATOM 123 O GLU A 8 -21.066 -1.610 0.529 1.00 0.00 O ATOM 124 CB GLU A 8 -22.416 -1.047 3.173 1.00 0.00 C ATOM 125 CG GLU A 8 -22.770 -1.305 4.618 1.00 0.00 C ATOM 126 CD GLU A 8 -24.254 -1.285 4.876 1.00 0.00 C ATOM 127 OE1 GLU A 8 -24.813 -0.207 5.190 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.895 -2.355 4.788 1.00 0.00 O ATOM 0 H GLU A 8 -20.724 0.540 4.119 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.587 -2.166 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.761 -0.051 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.951 -1.758 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.368 -2.273 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.288 -0.553 5.244 1.00 0.00 H new ATOM 135 N HIS A 9 -19.959 0.212 1.167 1.00 0.00 N ATOM 136 CA HIS A 9 -19.670 0.664 -0.173 1.00 0.00 C ATOM 137 C HIS A 9 -18.247 0.302 -0.541 1.00 0.00 C ATOM 138 O HIS A 9 -17.749 0.669 -1.610 1.00 0.00 O ATOM 139 CB HIS A 9 -19.842 2.185 -0.270 1.00 0.00 C ATOM 140 CG HIS A 9 -21.240 2.684 -0.019 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.007 3.352 -0.943 1.00 0.00 N ATOM 142 CD2 HIS A 9 -21.993 2.621 1.108 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.166 3.667 -0.365 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.206 3.243 0.884 1.00 0.00 N ATOM 0 H HIS A 9 -19.568 0.807 1.898 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.363 0.179 -0.860 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.169 2.658 0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.530 2.508 -1.263 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.691 2.157 2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.968 4.200 -0.855 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.974 3.352 1.547 1.00 0.00 H new ATOM 152 N VAL A 10 -17.594 -0.379 0.353 1.00 0.00 N ATOM 153 CA VAL A 10 -16.243 -0.780 0.162 1.00 0.00 C ATOM 154 C VAL A 10 -16.090 -2.225 0.617 1.00 0.00 C ATOM 155 O VAL A 10 -16.175 -2.553 1.806 1.00 0.00 O ATOM 156 CB VAL A 10 -15.275 0.199 0.907 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.593 0.346 2.373 1.00 0.00 C ATOM 158 CG2 VAL A 10 -13.821 -0.138 0.671 1.00 0.00 C ATOM 0 H VAL A 10 -17.994 -0.672 1.244 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.975 -0.732 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.448 1.179 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.886 1.038 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.606 0.733 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.518 -0.626 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.191 0.570 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.619 -1.148 1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.603 -0.080 -0.395 1.00 0.00 H new ATOM 168 N THR A 11 -15.903 -3.074 -0.331 1.00 0.00 N ATOM 169 CA THR A 11 -15.840 -4.477 -0.078 1.00 0.00 C ATOM 170 C THR A 11 -14.412 -4.888 0.297 1.00 0.00 C ATOM 171 O THR A 11 -13.436 -4.197 -0.067 1.00 0.00 O ATOM 172 CB THR A 11 -16.299 -5.256 -1.331 1.00 0.00 C ATOM 173 OG1 THR A 11 -17.439 -4.588 -1.908 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.734 -6.655 -0.941 1.00 0.00 C ATOM 0 H THR A 11 -15.788 -2.817 -1.311 1.00 0.00 H new ATOM 0 HA THR A 11 -16.502 -4.713 0.755 1.00 0.00 H new ATOM 0 HB THR A 11 -15.472 -5.303 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.181 -3.685 -2.190 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.056 -7.197 -1.830 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.898 -7.180 -0.479 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.561 -6.595 -0.233 1.00 0.00 H new ATOM 182 N GLN A 12 -14.299 -6.003 1.023 1.00 0.00 N ATOM 183 CA GLN A 12 -13.039 -6.585 1.439 1.00 0.00 C ATOM 184 C GLN A 12 -12.094 -6.738 0.256 1.00 0.00 C ATOM 185 O GLN A 12 -10.905 -6.469 0.376 1.00 0.00 O ATOM 186 CB GLN A 12 -13.283 -7.941 2.144 1.00 0.00 C ATOM 187 CG GLN A 12 -12.016 -8.613 2.675 1.00 0.00 C ATOM 188 CD GLN A 12 -11.581 -9.870 1.906 1.00 0.00 C ATOM 189 OE1 GLN A 12 -10.953 -10.760 2.484 1.00 0.00 O ATOM 190 NE2 GLN A 12 -11.921 -9.979 0.640 1.00 0.00 N ATOM 0 H GLN A 12 -15.109 -6.534 1.342 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.563 -5.912 2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.973 -7.787 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.773 -8.618 1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.201 -7.890 2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.174 -8.880 3.720 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.441 -9.228 0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.665 -10.814 0.113 1.00 0.00 H new ATOM 199 N ASP A 13 -12.641 -7.128 -0.884 1.00 0.00 N ATOM 200 CA ASP A 13 -11.860 -7.295 -2.110 1.00 0.00 C ATOM 201 C ASP A 13 -11.131 -6.021 -2.515 1.00 0.00 C ATOM 202 O ASP A 13 -9.941 -6.066 -2.837 1.00 0.00 O ATOM 203 CB ASP A 13 -12.728 -7.785 -3.267 1.00 0.00 C ATOM 204 CG ASP A 13 -11.942 -7.924 -4.553 1.00 0.00 C ATOM 205 OD1 ASP A 13 -11.062 -8.819 -4.642 1.00 0.00 O ATOM 206 OD2 ASP A 13 -12.171 -7.148 -5.487 1.00 0.00 O ATOM 0 H ASP A 13 -13.633 -7.338 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.110 -8.053 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.168 -8.748 -3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.552 -7.089 -3.421 1.00 0.00 H new ATOM 211 N LEU A 14 -11.810 -4.880 -2.382 1.00 0.00 N ATOM 212 CA LEU A 14 -11.269 -3.600 -2.833 1.00 0.00 C ATOM 213 C LEU A 14 -10.132 -3.241 -1.948 1.00 0.00 C ATOM 214 O LEU A 14 -9.025 -2.994 -2.395 1.00 0.00 O ATOM 215 CB LEU A 14 -12.379 -2.512 -2.762 1.00 0.00 C ATOM 216 CG LEU A 14 -12.053 -1.042 -3.195 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.287 -0.284 -2.133 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.273 -1.008 -4.487 1.00 0.00 C ATOM 0 H LEU A 14 -12.738 -4.818 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.924 -3.670 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.212 -2.855 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.735 -2.477 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.016 -0.552 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.086 0.729 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.878 -0.242 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.344 -0.792 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.064 0.027 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.334 -1.547 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.857 -1.479 -5.277 1.00 0.00 H new ATOM 230 N ARG A 15 -10.407 -3.270 -0.685 1.00 0.00 N ATOM 231 CA ARG A 15 -9.454 -2.876 0.281 1.00 0.00 C ATOM 232 C ARG A 15 -8.247 -3.770 0.313 1.00 0.00 C ATOM 233 O ARG A 15 -7.145 -3.285 0.285 1.00 0.00 O ATOM 234 CB ARG A 15 -10.088 -2.699 1.618 1.00 0.00 C ATOM 235 CG ARG A 15 -10.877 -3.845 2.145 1.00 0.00 C ATOM 236 CD ARG A 15 -11.758 -3.348 3.236 1.00 0.00 C ATOM 237 NE ARG A 15 -10.971 -2.557 4.230 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.226 -2.423 5.539 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.366 -2.871 6.062 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.344 -1.779 6.303 1.00 0.00 N ATOM 0 H ARG A 15 -11.303 -3.569 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.071 -1.901 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.303 -2.468 2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.743 -1.829 1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.474 -4.292 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.212 -4.623 2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.551 -2.729 2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.240 -4.190 3.733 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.151 -2.066 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.058 -3.323 5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.547 -2.762 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.493 -1.398 5.889 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.520 -1.667 7.301 1.00 0.00 H new ATOM 254 N SER A 16 -8.462 -5.070 0.274 1.00 0.00 N ATOM 255 CA SER A 16 -7.378 -6.025 0.298 1.00 0.00 C ATOM 256 C SER A 16 -6.513 -5.872 -0.964 1.00 0.00 C ATOM 257 O SER A 16 -5.307 -6.099 -0.934 1.00 0.00 O ATOM 258 CB SER A 16 -7.946 -7.435 0.415 1.00 0.00 C ATOM 259 OG SER A 16 -6.934 -8.424 0.542 1.00 0.00 O ATOM 0 H SER A 16 -9.390 -5.490 0.225 1.00 0.00 H new ATOM 0 HA SER A 16 -6.741 -5.838 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.608 -7.485 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.553 -7.652 -0.464 1.00 0.00 H new ATOM 0 HG SER A 16 -7.349 -9.309 0.615 1.00 0.00 H new ATOM 265 N HIS A 17 -7.140 -5.446 -2.051 1.00 0.00 N ATOM 266 CA HIS A 17 -6.455 -5.208 -3.311 1.00 0.00 C ATOM 267 C HIS A 17 -5.479 -4.023 -3.133 1.00 0.00 C ATOM 268 O HIS A 17 -4.306 -4.079 -3.540 1.00 0.00 O ATOM 269 CB HIS A 17 -7.512 -4.885 -4.380 1.00 0.00 C ATOM 270 CG HIS A 17 -7.052 -4.904 -5.795 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.291 -5.944 -6.662 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.416 -3.962 -6.510 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.801 -5.617 -7.850 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.253 -4.412 -7.820 1.00 0.00 N ATOM 0 H HIS A 17 -8.142 -5.255 -2.083 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.886 -6.085 -3.620 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.330 -5.598 -4.277 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.922 -3.897 -4.168 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.083 -3.007 -6.131 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.843 -6.249 -8.725 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.806 -3.917 -8.592 1.00 0.00 H new ATOM 282 N LEU A 18 -5.977 -2.976 -2.502 1.00 0.00 N ATOM 283 CA LEU A 18 -5.190 -1.781 -2.188 1.00 0.00 C ATOM 284 C LEU A 18 -4.100 -2.132 -1.171 1.00 0.00 C ATOM 285 O LEU A 18 -2.973 -1.677 -1.282 1.00 0.00 O ATOM 286 CB LEU A 18 -6.110 -0.638 -1.673 1.00 0.00 C ATOM 287 CG LEU A 18 -6.922 0.188 -2.725 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.581 -0.666 -3.783 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.000 0.953 -2.029 1.00 0.00 C ATOM 0 H LEU A 18 -6.946 -2.923 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.705 -1.421 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.821 -1.074 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.491 0.059 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.203 0.842 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.126 -0.028 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.819 -1.226 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.274 -1.362 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.567 1.529 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.667 0.259 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.554 1.630 -1.301 1.00 0.00 H new ATOM 301 N VAL A 19 -4.459 -2.974 -0.214 1.00 0.00 N ATOM 302 CA VAL A 19 -3.541 -3.518 0.801 1.00 0.00 C ATOM 303 C VAL A 19 -2.375 -4.270 0.123 1.00 0.00 C ATOM 304 O VAL A 19 -1.206 -4.044 0.440 1.00 0.00 O ATOM 305 CB VAL A 19 -4.306 -4.505 1.745 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.391 -5.231 2.642 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.315 -3.799 2.588 1.00 0.00 C ATOM 0 H VAL A 19 -5.416 -3.312 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.144 -2.687 1.384 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.808 -5.212 1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.964 -5.904 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.682 -5.808 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.849 -4.518 3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.823 -4.520 3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.815 -3.054 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.045 -3.306 1.946 1.00 0.00 H new ATOM 317 N HIS A 20 -2.716 -5.160 -0.788 1.00 0.00 N ATOM 318 CA HIS A 20 -1.742 -5.917 -1.565 1.00 0.00 C ATOM 319 C HIS A 20 -0.767 -4.967 -2.277 1.00 0.00 C ATOM 320 O HIS A 20 0.459 -5.153 -2.235 1.00 0.00 O ATOM 321 CB HIS A 20 -2.483 -6.827 -2.571 1.00 0.00 C ATOM 322 CG HIS A 20 -1.624 -7.394 -3.653 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.729 -7.009 -4.960 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.613 -8.289 -3.603 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.813 -7.640 -5.660 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.091 -8.446 -4.889 1.00 0.00 N ATOM 0 H HIS A 20 -3.685 -5.383 -1.015 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.154 -6.547 -0.898 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.944 -7.649 -2.024 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.291 -6.256 -3.029 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.406 -6.342 -5.331 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.266 -8.798 -2.716 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.666 -7.519 -6.723 1.00 0.00 H new ATOM 334 N LYS A 21 -1.317 -3.954 -2.897 1.00 0.00 N ATOM 335 CA LYS A 21 -0.522 -2.957 -3.572 1.00 0.00 C ATOM 336 C LYS A 21 0.317 -2.156 -2.603 1.00 0.00 C ATOM 337 O LYS A 21 1.464 -1.828 -2.914 1.00 0.00 O ATOM 338 CB LYS A 21 -1.393 -2.080 -4.437 1.00 0.00 C ATOM 339 CG LYS A 21 -1.779 -2.766 -5.716 1.00 0.00 C ATOM 340 CD LYS A 21 -2.932 -2.096 -6.421 1.00 0.00 C ATOM 341 CE LYS A 21 -3.351 -2.879 -7.663 1.00 0.00 C ATOM 342 NZ LYS A 21 -2.256 -3.068 -8.639 1.00 0.00 N ATOM 0 H LYS A 21 -2.323 -3.796 -2.949 1.00 0.00 H new ATOM 0 HA LYS A 21 0.180 -3.472 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.292 -1.805 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.864 -1.155 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.917 -2.790 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.044 -3.801 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.778 -2.011 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.648 -1.083 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.727 -3.855 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.175 -2.358 -8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.640 -3.469 -9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.810 -2.151 -8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.547 -3.717 -8.243 1.00 0.00 H new ATOM 356 N LEU A 22 -0.258 -1.841 -1.437 1.00 0.00 N ATOM 357 CA LEU A 22 0.463 -1.175 -0.360 1.00 0.00 C ATOM 358 C LEU A 22 1.728 -1.917 -0.054 1.00 0.00 C ATOM 359 O LEU A 22 2.790 -1.314 -0.033 1.00 0.00 O ATOM 360 CB LEU A 22 -0.407 -1.034 0.896 1.00 0.00 C ATOM 361 CG LEU A 22 -1.370 0.151 0.923 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.363 0.001 2.055 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.588 1.408 1.151 1.00 0.00 C ATOM 0 H LEU A 22 -1.234 -2.042 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 22 0.717 -0.168 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.987 -1.949 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.251 -0.960 1.762 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.904 0.190 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.041 0.854 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.935 -0.917 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.829 -0.043 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.267 2.260 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.061 1.341 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.134 1.539 0.345 1.00 0.00 H new ATOM 375 N VAL A 23 1.611 -3.241 0.121 1.00 0.00 N ATOM 376 CA VAL A 23 2.775 -4.097 0.324 1.00 0.00 C ATOM 377 C VAL A 23 3.737 -3.936 -0.830 1.00 0.00 C ATOM 378 O VAL A 23 4.856 -3.641 -0.609 1.00 0.00 O ATOM 379 CB VAL A 23 2.416 -5.600 0.437 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.687 -6.440 0.491 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.604 -5.850 1.668 1.00 0.00 C ATOM 0 H VAL A 23 0.720 -3.737 0.125 1.00 0.00 H new ATOM 0 HA VAL A 23 3.221 -3.782 1.267 1.00 0.00 H new ATOM 0 HB VAL A 23 1.833 -5.881 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.423 -7.495 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.269 -6.279 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.280 -6.148 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.360 -6.910 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.176 -5.554 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.684 -5.268 1.621 1.00 0.00 H new ATOM 391 N GLN A 24 3.256 -4.086 -2.065 1.00 0.00 N ATOM 392 CA GLN A 24 4.130 -3.980 -3.244 1.00 0.00 C ATOM 393 C GLN A 24 4.950 -2.686 -3.312 1.00 0.00 C ATOM 394 O GLN A 24 6.075 -2.690 -3.810 1.00 0.00 O ATOM 395 CB GLN A 24 3.396 -4.235 -4.556 1.00 0.00 C ATOM 396 CG GLN A 24 3.152 -5.704 -4.817 1.00 0.00 C ATOM 397 CD GLN A 24 2.778 -5.992 -6.252 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.084 -5.220 -7.154 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.236 -7.144 -6.493 1.00 0.00 N ATOM 0 H GLN A 24 2.277 -4.279 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 24 4.851 -4.786 -3.106 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.441 -3.710 -4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.976 -3.816 -5.378 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.049 -6.267 -4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.356 -6.057 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.993 -7.765 -5.721 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.053 -7.430 -7.455 1.00 0.00 H new ATOM 408 N ALA A 25 4.389 -1.592 -2.847 1.00 0.00 N ATOM 409 CA ALA A 25 5.109 -0.342 -2.799 1.00 0.00 C ATOM 410 C ALA A 25 6.016 -0.255 -1.579 1.00 0.00 C ATOM 411 O ALA A 25 7.149 0.128 -1.674 1.00 0.00 O ATOM 412 CB ALA A 25 4.141 0.768 -2.738 1.00 0.00 C ATOM 0 H ALA A 25 3.433 -1.544 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 25 5.728 -0.280 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.677 1.716 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.504 0.745 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.525 0.665 -1.845 1.00 0.00 H new ATOM 418 N ILE A 26 5.505 -0.617 -0.428 1.00 0.00 N ATOM 419 CA ILE A 26 6.272 -0.461 0.797 1.00 0.00 C ATOM 420 C ILE A 26 7.356 -1.533 0.895 1.00 0.00 C ATOM 421 O ILE A 26 8.442 -1.293 1.392 1.00 0.00 O ATOM 422 CB ILE A 26 5.332 -0.429 2.052 1.00 0.00 C ATOM 423 CG1 ILE A 26 6.061 0.043 3.340 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.666 -1.777 2.271 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.759 -1.039 4.130 1.00 0.00 C ATOM 0 H ILE A 26 4.575 -1.017 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 26 6.782 0.502 0.771 1.00 0.00 H new ATOM 0 HB ILE A 26 4.560 0.311 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.797 0.798 3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.334 0.530 3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.020 -1.726 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.070 -2.035 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.430 -2.539 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.234 -0.600 5.007 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.031 -1.785 4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.517 -1.514 3.506 1.00 0.00 H new ATOM 437 N PHE A 27 7.051 -2.667 0.377 1.00 0.00 N ATOM 438 CA PHE A 27 7.902 -3.798 0.350 1.00 0.00 C ATOM 439 C PHE A 27 7.972 -4.307 -1.080 1.00 0.00 C ATOM 440 O PHE A 27 7.101 -5.082 -1.507 1.00 0.00 O ATOM 441 CB PHE A 27 7.340 -4.908 1.246 1.00 0.00 C ATOM 442 CG PHE A 27 7.407 -4.666 2.730 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.626 -4.581 3.380 1.00 0.00 C ATOM 444 CD2 PHE A 27 6.246 -4.554 3.481 1.00 0.00 C ATOM 445 CE1 PHE A 27 8.689 -4.386 4.749 1.00 0.00 C ATOM 446 CE2 PHE A 27 6.303 -4.357 4.849 1.00 0.00 C ATOM 447 CZ PHE A 27 7.527 -4.271 5.484 1.00 0.00 C ATOM 0 H PHE A 27 6.148 -2.839 -0.065 1.00 0.00 H new ATOM 0 HA PHE A 27 8.891 -3.519 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.298 -5.073 0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.877 -5.830 1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.540 -4.668 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.286 -4.621 2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.648 -4.324 5.242 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.391 -4.270 5.421 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.574 -4.114 6.552 1.00 0.00 H new ATOM 457 N PRO A 28 8.946 -3.842 -1.871 1.00 0.00 N ATOM 458 CA PRO A 28 9.089 -4.292 -3.239 1.00 0.00 C ATOM 459 C PRO A 28 9.471 -5.772 -3.267 1.00 0.00 C ATOM 460 O PRO A 28 10.629 -6.129 -3.048 1.00 0.00 O ATOM 461 CB PRO A 28 10.202 -3.404 -3.815 1.00 0.00 C ATOM 462 CG PRO A 28 10.954 -2.899 -2.629 1.00 0.00 C ATOM 463 CD PRO A 28 9.968 -2.840 -1.497 1.00 0.00 C ATOM 0 HA PRO A 28 8.170 -4.209 -3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.852 -3.971 -4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.787 -2.581 -4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.786 -3.560 -2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.377 -1.914 -2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.437 -3.083 -0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.535 -1.845 -1.394 1.00 0.00 H new ATOM 471 N THR A 29 8.461 -6.618 -3.437 1.00 0.00 N ATOM 472 CA THR A 29 8.611 -8.056 -3.416 1.00 0.00 C ATOM 473 C THR A 29 9.710 -8.534 -4.389 1.00 0.00 C ATOM 474 O THR A 29 9.684 -8.226 -5.580 1.00 0.00 O ATOM 475 CB THR A 29 7.254 -8.775 -3.692 1.00 0.00 C ATOM 476 OG1 THR A 29 7.381 -10.177 -3.434 1.00 0.00 O ATOM 477 CG2 THR A 29 6.773 -8.570 -5.120 1.00 0.00 C ATOM 0 H THR A 29 7.501 -6.312 -3.596 1.00 0.00 H new ATOM 0 HA THR A 29 8.931 -8.330 -2.411 1.00 0.00 H new ATOM 0 HB THR A 29 6.516 -8.333 -3.023 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.562 -10.649 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.825 -9.089 -5.263 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.635 -7.505 -5.308 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.513 -8.968 -5.814 1.00 0.00 H new ATOM 485 N PRO A 30 10.705 -9.264 -3.882 1.00 0.00 N ATOM 486 CA PRO A 30 11.819 -9.747 -4.700 1.00 0.00 C ATOM 487 C PRO A 30 11.398 -10.867 -5.647 1.00 0.00 C ATOM 488 O PRO A 30 12.088 -11.160 -6.631 1.00 0.00 O ATOM 489 CB PRO A 30 12.816 -10.286 -3.659 1.00 0.00 C ATOM 490 CG PRO A 30 11.972 -10.657 -2.491 1.00 0.00 C ATOM 491 CD PRO A 30 10.849 -9.659 -2.462 1.00 0.00 C ATOM 0 HA PRO A 30 12.224 -8.962 -5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.363 -11.147 -4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.556 -9.532 -3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.590 -11.673 -2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.548 -10.624 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.931 -10.098 -2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.087 -8.804 -1.829 1.00 0.00 H new ATOM 499 N ASP A 31 10.247 -11.468 -5.370 1.00 0.00 N ATOM 500 CA ASP A 31 9.801 -12.622 -6.119 1.00 0.00 C ATOM 501 C ASP A 31 8.321 -12.833 -5.873 1.00 0.00 C ATOM 502 O ASP A 31 7.828 -12.469 -4.805 1.00 0.00 O ATOM 503 CB ASP A 31 10.571 -13.842 -5.608 1.00 0.00 C ATOM 504 CG ASP A 31 10.332 -15.113 -6.380 1.00 0.00 C ATOM 505 OD1 ASP A 31 10.998 -15.333 -7.425 1.00 0.00 O ATOM 506 OD2 ASP A 31 9.527 -15.928 -5.931 1.00 0.00 O ATOM 0 H ASP A 31 9.610 -11.171 -4.631 1.00 0.00 H new ATOM 0 HA ASP A 31 9.975 -12.476 -7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.637 -13.616 -5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.303 -14.012 -4.565 1.00 0.00 H new ATOM 511 N PRO A 32 7.578 -13.360 -6.855 1.00 0.00 N ATOM 512 CA PRO A 32 6.163 -13.734 -6.688 1.00 0.00 C ATOM 513 C PRO A 32 5.916 -14.670 -5.466 1.00 0.00 C ATOM 514 O PRO A 32 4.849 -14.664 -4.887 1.00 0.00 O ATOM 515 CB PRO A 32 5.838 -14.508 -7.978 1.00 0.00 C ATOM 516 CG PRO A 32 7.132 -14.676 -8.700 1.00 0.00 C ATOM 517 CD PRO A 32 8.012 -13.567 -8.245 1.00 0.00 C ATOM 0 HA PRO A 32 5.549 -12.851 -6.514 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.391 -15.476 -7.749 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.119 -13.962 -8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.579 -15.644 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.983 -14.636 -9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.067 -13.836 -8.304 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.878 -12.670 -8.849 1.00 0.00 H new ATOM 525 N ALA A 33 6.906 -15.459 -5.071 1.00 0.00 N ATOM 526 CA ALA A 33 6.721 -16.350 -3.933 1.00 0.00 C ATOM 527 C ALA A 33 6.963 -15.630 -2.600 1.00 0.00 C ATOM 528 O ALA A 33 6.623 -16.143 -1.540 1.00 0.00 O ATOM 529 CB ALA A 33 7.588 -17.597 -4.054 1.00 0.00 C ATOM 0 H ALA A 33 7.826 -15.502 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 33 5.679 -16.670 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.425 -18.239 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.323 -18.138 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.638 -17.307 -4.098 1.00 0.00 H new ATOM 535 N ALA A 34 7.518 -14.430 -2.655 1.00 0.00 N ATOM 536 CA ALA A 34 7.791 -13.671 -1.441 1.00 0.00 C ATOM 537 C ALA A 34 6.521 -13.023 -0.916 1.00 0.00 C ATOM 538 O ALA A 34 6.235 -13.062 0.283 1.00 0.00 O ATOM 539 CB ALA A 34 8.876 -12.642 -1.675 1.00 0.00 C ATOM 0 H ALA A 34 7.787 -13.961 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 34 8.153 -14.364 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.059 -12.090 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.792 -13.144 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.559 -11.950 -2.455 1.00 0.00 H new ATOM 545 N LEU A 35 5.727 -12.475 -1.818 1.00 0.00 N ATOM 546 CA LEU A 35 4.465 -11.864 -1.435 1.00 0.00 C ATOM 547 C LEU A 35 3.344 -12.872 -1.110 1.00 0.00 C ATOM 548 O LEU A 35 2.194 -12.499 -0.943 1.00 0.00 O ATOM 549 CB LEU A 35 3.996 -10.675 -2.334 1.00 0.00 C ATOM 550 CG LEU A 35 4.196 -10.733 -3.849 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.666 -11.987 -4.439 1.00 0.00 C ATOM 552 CD2 LEU A 35 3.523 -9.545 -4.499 1.00 0.00 C ATOM 0 H LEU A 35 5.931 -12.440 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 35 4.706 -11.390 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.930 -10.534 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.502 -9.779 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 35 5.269 -10.708 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.832 -11.981 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.179 -12.842 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.598 -12.061 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.668 -9.590 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.456 -9.564 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.959 -8.624 -4.113 1.00 0.00 H new ATOM 564 N LYS A 36 3.684 -14.141 -1.043 1.00 0.00 N ATOM 565 CA LYS A 36 2.737 -15.174 -0.630 1.00 0.00 C ATOM 566 C LYS A 36 3.382 -16.102 0.407 1.00 0.00 C ATOM 567 O LYS A 36 2.896 -17.196 0.676 1.00 0.00 O ATOM 568 CB LYS A 36 2.241 -15.956 -1.844 1.00 0.00 C ATOM 569 CG LYS A 36 3.351 -16.583 -2.664 1.00 0.00 C ATOM 570 CD LYS A 36 2.819 -17.274 -3.909 1.00 0.00 C ATOM 571 CE LYS A 36 2.096 -16.297 -4.829 1.00 0.00 C ATOM 572 NZ LYS A 36 1.619 -16.939 -6.063 1.00 0.00 N ATOM 0 H LYS A 36 4.615 -14.492 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 36 1.874 -14.698 -0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.564 -16.741 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.663 -15.288 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.066 -15.813 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.891 -17.305 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.644 -17.739 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.137 -18.073 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.249 -15.861 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.768 -15.478 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.134 -16.235 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.428 -17.333 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.957 -17.704 -5.823 1.00 0.00 H new ATOM 586 N ASP A 37 4.456 -15.627 1.000 1.00 0.00 N ATOM 587 CA ASP A 37 5.222 -16.394 1.992 1.00 0.00 C ATOM 588 C ASP A 37 4.720 -16.059 3.408 1.00 0.00 C ATOM 589 O ASP A 37 3.805 -15.264 3.564 1.00 0.00 O ATOM 590 CB ASP A 37 6.698 -16.020 1.846 1.00 0.00 C ATOM 591 CG ASP A 37 7.628 -16.747 2.759 1.00 0.00 C ATOM 592 OD1 ASP A 37 7.672 -17.974 2.732 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.268 -16.082 3.578 1.00 0.00 O ATOM 0 H ASP A 37 4.833 -14.697 0.816 1.00 0.00 H new ATOM 0 HA ASP A 37 5.094 -17.464 1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.004 -16.207 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.805 -14.949 2.021 1.00 0.00 H new ATOM 598 N ARG A 38 5.324 -16.639 4.431 1.00 0.00 N ATOM 599 CA ARG A 38 4.938 -16.379 5.811 1.00 0.00 C ATOM 600 C ARG A 38 5.349 -14.975 6.222 1.00 0.00 C ATOM 601 O ARG A 38 4.776 -14.390 7.133 1.00 0.00 O ATOM 602 CB ARG A 38 5.519 -17.442 6.754 1.00 0.00 C ATOM 603 CG ARG A 38 6.943 -17.222 7.309 1.00 0.00 C ATOM 604 CD ARG A 38 8.029 -17.366 6.265 1.00 0.00 C ATOM 605 NE ARG A 38 9.384 -17.258 6.840 1.00 0.00 N ATOM 606 CZ ARG A 38 10.523 -17.139 6.121 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.474 -16.944 4.806 1.00 0.00 N ATOM 608 NH2 ARG A 38 11.697 -17.158 6.729 1.00 0.00 N ATOM 0 H ARG A 38 6.093 -17.301 4.331 1.00 0.00 H new ATOM 0 HA ARG A 38 3.852 -16.442 5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.842 -17.541 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.510 -18.396 6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.003 -16.226 7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.125 -17.936 8.112 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.925 -18.330 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.899 -16.598 5.502 1.00 0.00 H new ATOM 0 HE ARG A 38 9.468 -17.274 7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.573 -16.883 4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.338 -16.855 4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.745 -17.263 7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.555 -17.068 6.185 1.00 0.00 H new ATOM 622 N ARG A 39 6.325 -14.432 5.522 1.00 0.00 N ATOM 623 CA ARG A 39 6.757 -13.077 5.753 1.00 0.00 C ATOM 624 C ARG A 39 5.713 -12.103 5.208 1.00 0.00 C ATOM 625 O ARG A 39 5.599 -10.952 5.662 1.00 0.00 O ATOM 626 CB ARG A 39 8.121 -12.861 5.119 1.00 0.00 C ATOM 627 CG ARG A 39 8.689 -11.467 5.299 1.00 0.00 C ATOM 628 CD ARG A 39 10.112 -11.411 4.814 1.00 0.00 C ATOM 629 NE ARG A 39 10.985 -12.258 5.629 1.00 0.00 N ATOM 630 CZ ARG A 39 11.939 -13.064 5.163 1.00 0.00 C ATOM 631 NH1 ARG A 39 12.020 -13.335 3.866 1.00 0.00 N ATOM 632 NH2 ARG A 39 12.749 -13.671 6.006 1.00 0.00 N ATOM 0 H ARG A 39 6.835 -14.917 4.784 1.00 0.00 H new ATOM 0 HA ARG A 39 6.855 -12.893 6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.821 -13.581 5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.049 -13.074 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.083 -10.747 4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.646 -11.183 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.157 -11.733 3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.469 -10.381 4.844 1.00 0.00 H new ATOM 0 HE ARG A 39 10.852 -12.229 6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.349 -12.925 3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.754 -13.953 3.519 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.644 -13.523 7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.481 -14.289 5.655 1.00 0.00 H new ATOM 646 N MET A 40 4.905 -12.594 4.278 1.00 0.00 N ATOM 647 CA MET A 40 3.834 -11.815 3.690 1.00 0.00 C ATOM 648 C MET A 40 2.823 -11.390 4.716 1.00 0.00 C ATOM 649 O MET A 40 2.363 -10.287 4.655 1.00 0.00 O ATOM 650 CB MET A 40 3.209 -12.525 2.463 1.00 0.00 C ATOM 651 CG MET A 40 1.727 -12.223 2.116 1.00 0.00 C ATOM 652 SD MET A 40 1.255 -10.468 1.937 1.00 0.00 S ATOM 653 CE MET A 40 2.442 -9.841 0.770 1.00 0.00 C ATOM 0 H MET A 40 4.977 -13.544 3.913 1.00 0.00 H new ATOM 0 HA MET A 40 4.270 -10.893 3.306 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.813 -12.275 1.591 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.302 -13.600 2.617 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.487 -12.735 1.184 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.101 -12.664 2.892 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.987 -9.044 0.181 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.306 -9.449 1.306 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.760 -10.646 0.107 1.00 0.00 H new ATOM 663 N GLU A 41 2.555 -12.208 5.725 1.00 0.00 N ATOM 664 CA GLU A 41 1.569 -11.789 6.711 1.00 0.00 C ATOM 665 C GLU A 41 2.077 -10.586 7.513 1.00 0.00 C ATOM 666 O GLU A 41 1.303 -9.811 8.003 1.00 0.00 O ATOM 667 CB GLU A 41 1.109 -12.914 7.623 1.00 0.00 C ATOM 668 CG GLU A 41 2.147 -13.413 8.561 1.00 0.00 C ATOM 669 CD GLU A 41 1.668 -14.599 9.331 1.00 0.00 C ATOM 670 OE1 GLU A 41 1.687 -15.722 8.796 1.00 0.00 O ATOM 671 OE2 GLU A 41 1.236 -14.432 10.497 1.00 0.00 O ATOM 0 H GLU A 41 2.982 -13.121 5.880 1.00 0.00 H new ATOM 0 HA GLU A 41 0.684 -11.484 6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.252 -12.568 8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.764 -13.745 7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.045 -13.679 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.426 -12.618 9.253 1.00 0.00 H new ATOM 678 N ASN A 42 3.396 -10.431 7.598 1.00 0.00 N ATOM 679 CA ASN A 42 4.003 -9.260 8.246 1.00 0.00 C ATOM 680 C ASN A 42 3.859 -8.047 7.342 1.00 0.00 C ATOM 681 O ASN A 42 3.480 -6.943 7.787 1.00 0.00 O ATOM 682 CB ASN A 42 5.499 -9.511 8.557 1.00 0.00 C ATOM 683 CG ASN A 42 6.255 -8.241 8.959 1.00 0.00 C ATOM 684 OD1 ASN A 42 6.307 -7.869 10.132 1.00 0.00 O ATOM 685 ND2 ASN A 42 6.862 -7.580 7.985 1.00 0.00 N ATOM 0 H ASN A 42 4.070 -11.100 7.227 1.00 0.00 H new ATOM 0 HA ASN A 42 3.486 -9.079 9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.578 -10.243 9.361 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.977 -9.948 7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.393 -6.735 8.196 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.799 -7.916 7.024 1.00 0.00 H new ATOM 692 N LEU A 43 4.142 -8.269 6.068 1.00 0.00 N ATOM 693 CA LEU A 43 4.072 -7.226 5.046 1.00 0.00 C ATOM 694 C LEU A 43 2.632 -6.730 4.921 1.00 0.00 C ATOM 695 O LEU A 43 2.356 -5.520 4.981 1.00 0.00 O ATOM 696 CB LEU A 43 4.546 -7.795 3.695 1.00 0.00 C ATOM 697 CG LEU A 43 5.848 -8.632 3.685 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.195 -9.076 2.274 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.014 -7.883 4.303 1.00 0.00 C ATOM 0 H LEU A 43 4.428 -9.180 5.708 1.00 0.00 H new ATOM 0 HA LEU A 43 4.716 -6.394 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.745 -8.415 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.679 -6.960 3.007 1.00 0.00 H new ATOM 0 HG LEU A 43 5.663 -9.515 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.114 -9.662 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.384 -9.685 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.337 -8.200 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.905 -8.510 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.196 -6.966 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.779 -7.634 5.338 1.00 0.00 H new ATOM 711 N VAL A 44 1.718 -7.670 4.803 1.00 0.00 N ATOM 712 CA VAL A 44 0.323 -7.373 4.654 1.00 0.00 C ATOM 713 C VAL A 44 -0.228 -6.824 5.965 1.00 0.00 C ATOM 714 O VAL A 44 -1.153 -6.054 5.954 1.00 0.00 O ATOM 715 CB VAL A 44 -0.500 -8.614 4.171 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.861 -9.566 5.296 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.717 -8.201 3.371 1.00 0.00 C ATOM 0 H VAL A 44 1.932 -8.667 4.809 1.00 0.00 H new ATOM 0 HA VAL A 44 0.222 -6.615 3.877 1.00 0.00 H new ATOM 0 HB VAL A 44 0.158 -9.173 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.431 -10.404 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.050 -9.938 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.462 -9.041 6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.262 -9.090 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.365 -7.579 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.401 -7.636 2.494 1.00 0.00 H new ATOM 727 N ALA A 45 0.375 -7.217 7.095 1.00 0.00 N ATOM 728 CA ALA A 45 -0.020 -6.690 8.396 1.00 0.00 C ATOM 729 C ALA A 45 0.180 -5.174 8.428 1.00 0.00 C ATOM 730 O ALA A 45 -0.707 -4.433 8.877 1.00 0.00 O ATOM 731 CB ALA A 45 0.740 -7.373 9.523 1.00 0.00 C ATOM 0 H ALA A 45 1.135 -7.896 7.128 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.078 -6.902 8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.423 -6.958 10.480 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.533 -8.443 9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.810 -7.208 9.393 1.00 0.00 H new ATOM 737 N TYR A 46 1.335 -4.716 7.910 1.00 0.00 N ATOM 738 CA TYR A 46 1.601 -3.273 7.753 1.00 0.00 C ATOM 739 C TYR A 46 0.574 -2.668 6.833 1.00 0.00 C ATOM 740 O TYR A 46 0.000 -1.628 7.129 1.00 0.00 O ATOM 741 CB TYR A 46 3.032 -2.996 7.181 1.00 0.00 C ATOM 742 CG TYR A 46 3.207 -1.586 6.555 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.831 -1.346 5.228 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.708 -0.514 7.276 1.00 0.00 C ATOM 745 CE1 TYR A 46 2.947 -0.101 4.655 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.825 0.745 6.688 1.00 0.00 C ATOM 747 CZ TYR A 46 3.446 0.937 5.385 1.00 0.00 C ATOM 748 OH TYR A 46 3.569 2.189 4.809 1.00 0.00 O ATOM 0 H TYR A 46 2.095 -5.319 7.595 1.00 0.00 H new ATOM 0 HA TYR A 46 1.542 -2.819 8.742 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.761 -3.118 7.982 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.260 -3.747 6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.439 -2.161 4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.011 -0.655 8.303 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.644 0.054 3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.216 1.572 7.262 1.00 0.00 H new ATOM 0 HH TYR A 46 3.940 2.816 5.465 1.00 0.00 H new ATOM 758 N ALA A 47 0.355 -3.312 5.723 1.00 0.00 N ATOM 759 CA ALA A 47 -0.550 -2.799 4.736 1.00 0.00 C ATOM 760 C ALA A 47 -1.950 -2.643 5.309 1.00 0.00 C ATOM 761 O ALA A 47 -2.565 -1.632 5.132 1.00 0.00 O ATOM 762 CB ALA A 47 -0.528 -3.669 3.523 1.00 0.00 C ATOM 0 H ALA A 47 0.794 -4.199 5.478 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.223 -1.803 4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.218 -3.272 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.480 -3.690 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.830 -4.680 3.795 1.00 0.00 H new ATOM 768 N LYS A 48 -2.393 -3.633 6.056 1.00 0.00 N ATOM 769 CA LYS A 48 -3.687 -3.617 6.731 1.00 0.00 C ATOM 770 C LYS A 48 -3.769 -2.524 7.780 1.00 0.00 C ATOM 771 O LYS A 48 -4.781 -1.845 7.888 1.00 0.00 O ATOM 772 CB LYS A 48 -3.923 -4.948 7.408 1.00 0.00 C ATOM 773 CG LYS A 48 -4.206 -6.086 6.460 1.00 0.00 C ATOM 774 CD LYS A 48 -4.165 -7.408 7.186 1.00 0.00 C ATOM 775 CE LYS A 48 -4.591 -8.546 6.285 1.00 0.00 C ATOM 776 NZ LYS A 48 -6.013 -8.436 5.910 1.00 0.00 N ATOM 0 H LYS A 48 -1.860 -4.488 6.218 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.446 -3.425 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.047 -5.198 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.761 -4.848 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.185 -5.948 6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.472 -6.085 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.156 -7.592 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.819 -7.367 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.976 -8.549 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.420 -9.496 6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.352 -9.355 5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.570 -8.154 6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.121 -7.721 5.162 1.00 0.00 H new ATOM 790 N LYS A 49 -2.706 -2.355 8.550 1.00 0.00 N ATOM 791 CA LYS A 49 -2.707 -1.370 9.622 1.00 0.00 C ATOM 792 C LYS A 49 -2.746 0.046 9.035 1.00 0.00 C ATOM 793 O LYS A 49 -3.442 0.933 9.537 1.00 0.00 O ATOM 794 CB LYS A 49 -1.503 -1.591 10.588 1.00 0.00 C ATOM 795 CG LYS A 49 -0.144 -1.343 10.044 1.00 0.00 C ATOM 796 CD LYS A 49 0.918 -1.794 11.034 1.00 0.00 C ATOM 797 CE LYS A 49 2.291 -1.226 10.716 1.00 0.00 C ATOM 798 NZ LYS A 49 2.363 0.232 10.971 1.00 0.00 N ATOM 0 H LYS A 49 -1.838 -2.882 8.455 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.607 -1.497 10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.643 -0.946 11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.541 -2.620 10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.021 -1.876 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.021 -0.282 9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.626 -1.488 12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.970 -2.883 11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.043 -1.737 11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.532 -1.423 9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.358 0.535 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.847 0.741 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.935 0.444 11.895 1.00 0.00 H new ATOM 812 N VAL A 50 -2.052 0.213 7.933 1.00 0.00 N ATOM 813 CA VAL A 50 -2.010 1.467 7.226 1.00 0.00 C ATOM 814 C VAL A 50 -3.334 1.722 6.505 1.00 0.00 C ATOM 815 O VAL A 50 -3.935 2.782 6.671 1.00 0.00 O ATOM 816 CB VAL A 50 -0.797 1.492 6.254 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.847 2.663 5.296 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.474 1.561 7.066 1.00 0.00 C ATOM 0 H VAL A 50 -1.497 -0.525 7.500 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.875 2.279 7.941 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.829 0.583 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.023 2.633 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.756 2.605 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.844 3.595 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.333 1.579 6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.469 2.466 7.674 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.539 0.688 7.715 1.00 0.00 H new ATOM 828 N GLU A 51 -3.796 0.721 5.766 1.00 0.00 N ATOM 829 CA GLU A 51 -5.056 0.764 5.020 1.00 0.00 C ATOM 830 C GLU A 51 -6.183 1.074 5.969 1.00 0.00 C ATOM 831 O GLU A 51 -6.992 1.953 5.708 1.00 0.00 O ATOM 832 CB GLU A 51 -5.255 -0.594 4.306 1.00 0.00 C ATOM 833 CG GLU A 51 -6.497 -0.770 3.427 1.00 0.00 C ATOM 834 CD GLU A 51 -7.770 -1.116 4.206 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.688 -1.841 5.216 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.869 -0.756 3.783 1.00 0.00 O ATOM 0 H GLU A 51 -3.298 -0.163 5.664 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.037 1.547 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.378 -0.776 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.273 -1.373 5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.665 0.149 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.305 -1.557 2.698 1.00 0.00 H new ATOM 843 N GLY A 52 -6.177 0.381 7.095 1.00 0.00 N ATOM 844 CA GLY A 52 -7.157 0.579 8.120 1.00 0.00 C ATOM 845 C GLY A 52 -7.174 1.994 8.610 1.00 0.00 C ATOM 846 O GLY A 52 -8.222 2.606 8.658 1.00 0.00 O ATOM 0 H GLY A 52 -5.484 -0.335 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.143 0.316 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.951 -0.092 8.954 1.00 0.00 H new ATOM 850 N ASP A 53 -6.005 2.525 8.910 1.00 0.00 N ATOM 851 CA ASP A 53 -5.874 3.895 9.417 1.00 0.00 C ATOM 852 C ASP A 53 -6.496 4.919 8.458 1.00 0.00 C ATOM 853 O ASP A 53 -7.327 5.736 8.852 1.00 0.00 O ATOM 854 CB ASP A 53 -4.416 4.234 9.636 1.00 0.00 C ATOM 855 CG ASP A 53 -4.244 5.524 10.396 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.310 5.490 11.643 1.00 0.00 O ATOM 857 OD2 ASP A 53 -4.019 6.584 9.777 1.00 0.00 O ATOM 0 H ASP A 53 -5.118 2.030 8.813 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.412 3.944 10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.934 3.424 10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.913 4.311 8.672 1.00 0.00 H new ATOM 862 N MET A 54 -6.115 4.844 7.192 1.00 0.00 N ATOM 863 CA MET A 54 -6.652 5.759 6.160 1.00 0.00 C ATOM 864 C MET A 54 -8.108 5.535 5.867 1.00 0.00 C ATOM 865 O MET A 54 -8.819 6.470 5.518 1.00 0.00 O ATOM 866 CB MET A 54 -5.816 5.787 4.877 1.00 0.00 C ATOM 867 CG MET A 54 -5.228 4.490 4.446 1.00 0.00 C ATOM 868 SD MET A 54 -3.480 4.703 3.975 1.00 0.00 S ATOM 869 CE MET A 54 -2.808 5.523 5.439 1.00 0.00 C ATOM 0 H MET A 54 -5.439 4.166 6.841 1.00 0.00 H new ATOM 0 HA MET A 54 -6.572 6.751 6.604 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.442 6.164 4.069 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.005 6.502 5.012 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.306 3.763 5.254 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.792 4.091 3.602 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.725 5.401 5.460 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.053 6.585 5.406 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.240 5.079 6.336 1.00 0.00 H new ATOM 879 N TYR A 55 -8.541 4.321 6.031 1.00 0.00 N ATOM 880 CA TYR A 55 -9.920 3.940 5.869 1.00 0.00 C ATOM 881 C TYR A 55 -10.751 4.686 6.913 1.00 0.00 C ATOM 882 O TYR A 55 -11.667 5.416 6.589 1.00 0.00 O ATOM 883 CB TYR A 55 -9.981 2.422 6.078 1.00 0.00 C ATOM 884 CG TYR A 55 -11.300 1.741 5.917 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.708 1.256 4.689 1.00 0.00 C ATOM 886 CD2 TYR A 55 -12.103 1.516 7.012 1.00 0.00 C ATOM 887 CE1 TYR A 55 -12.888 0.565 4.562 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.286 0.844 6.897 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.677 0.364 5.671 1.00 0.00 C ATOM 890 OH TYR A 55 -14.845 -0.357 5.561 1.00 0.00 O ATOM 0 H TYR A 55 -7.932 3.544 6.288 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.316 4.191 4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.281 1.961 5.381 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.617 2.209 7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.091 1.422 3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.791 1.878 7.981 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.194 0.183 3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.910 0.691 7.765 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.030 -0.812 6.409 1.00 0.00 H new ATOM 900 N GLU A 56 -10.322 4.586 8.149 1.00 0.00 N ATOM 901 CA GLU A 56 -11.018 5.191 9.295 1.00 0.00 C ATOM 902 C GLU A 56 -10.858 6.710 9.283 1.00 0.00 C ATOM 903 O GLU A 56 -11.665 7.430 9.854 1.00 0.00 O ATOM 904 CB GLU A 56 -10.406 4.650 10.573 1.00 0.00 C ATOM 905 CG GLU A 56 -10.353 3.144 10.627 1.00 0.00 C ATOM 906 CD GLU A 56 -11.632 2.495 10.988 1.00 0.00 C ATOM 907 OE1 GLU A 56 -12.451 2.200 10.114 1.00 0.00 O ATOM 908 OE2 GLU A 56 -11.823 2.212 12.162 1.00 0.00 O ATOM 0 H GLU A 56 -9.474 4.081 8.406 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.078 4.946 9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.395 5.045 10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.980 5.016 11.424 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.033 2.770 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.593 2.846 11.349 1.00 0.00 H new ATOM 915 N SER A 57 -9.811 7.175 8.653 1.00 0.00 N ATOM 916 CA SER A 57 -9.517 8.588 8.566 1.00 0.00 C ATOM 917 C SER A 57 -10.382 9.244 7.476 1.00 0.00 C ATOM 918 O SER A 57 -10.638 10.463 7.499 1.00 0.00 O ATOM 919 CB SER A 57 -8.017 8.777 8.265 1.00 0.00 C ATOM 920 OG SER A 57 -7.606 10.133 8.366 1.00 0.00 O ATOM 0 H SER A 57 -9.130 6.581 8.180 1.00 0.00 H new ATOM 0 HA SER A 57 -9.750 9.070 9.515 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.432 8.171 8.957 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.803 8.410 7.261 1.00 0.00 H new ATOM 0 HG SER A 57 -6.649 10.200 8.168 1.00 0.00 H new ATOM 926 N ALA A 58 -10.854 8.442 6.554 1.00 0.00 N ATOM 927 CA ALA A 58 -11.635 8.933 5.462 1.00 0.00 C ATOM 928 C ALA A 58 -13.109 8.868 5.774 1.00 0.00 C ATOM 929 O ALA A 58 -13.535 8.182 6.710 1.00 0.00 O ATOM 930 CB ALA A 58 -11.349 8.143 4.230 1.00 0.00 C ATOM 0 H ALA A 58 -10.704 7.433 6.545 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.363 9.976 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.949 8.526 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.292 8.229 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.597 7.096 4.404 1.00 0.00 H new ATOM 936 N ASN A 59 -13.881 9.597 5.014 1.00 0.00 N ATOM 937 CA ASN A 59 -15.328 9.615 5.169 1.00 0.00 C ATOM 938 C ASN A 59 -16.008 9.117 3.906 1.00 0.00 C ATOM 939 O ASN A 59 -17.197 9.348 3.681 1.00 0.00 O ATOM 940 CB ASN A 59 -15.794 11.013 5.551 1.00 0.00 C ATOM 941 CG ASN A 59 -15.270 11.442 6.910 1.00 0.00 C ATOM 942 OD1 ASN A 59 -15.131 10.624 7.843 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.931 12.691 7.033 1.00 0.00 N ATOM 0 H ASN A 59 -13.534 10.199 4.267 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.610 8.937 5.975 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.462 11.724 4.795 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -16.884 11.041 5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.538 13.029 7.912 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -15.058 13.333 6.251 1.00 0.00 H new ATOM 950 N SER A 60 -15.241 8.420 3.103 1.00 0.00 N ATOM 951 CA SER A 60 -15.723 7.710 1.944 1.00 0.00 C ATOM 952 C SER A 60 -14.637 6.804 1.483 1.00 0.00 C ATOM 953 O SER A 60 -13.458 7.029 1.796 1.00 0.00 O ATOM 954 CB SER A 60 -16.151 8.632 0.806 1.00 0.00 C ATOM 955 OG SER A 60 -15.088 9.455 0.368 1.00 0.00 O ATOM 0 H SER A 60 -14.235 8.329 3.242 1.00 0.00 H new ATOM 0 HA SER A 60 -16.616 7.155 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.515 8.034 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.981 9.256 1.137 1.00 0.00 H new ATOM 0 HG SER A 60 -15.399 10.030 -0.362 1.00 0.00 H new ATOM 961 N ARG A 61 -14.996 5.770 0.766 1.00 0.00 N ATOM 962 CA ARG A 61 -13.987 4.870 0.277 1.00 0.00 C ATOM 963 C ARG A 61 -13.180 5.498 -0.843 1.00 0.00 C ATOM 964 O ARG A 61 -12.033 5.166 -1.040 1.00 0.00 O ATOM 965 CB ARG A 61 -14.508 3.474 -0.105 1.00 0.00 C ATOM 966 CG ARG A 61 -15.402 3.354 -1.337 1.00 0.00 C ATOM 967 CD ARG A 61 -16.666 4.108 -1.210 1.00 0.00 C ATOM 968 NE ARG A 61 -17.597 3.733 -2.299 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.714 4.384 -2.670 1.00 0.00 C ATOM 970 NH1 ARG A 61 -19.091 5.490 -2.061 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.453 3.900 -3.650 1.00 0.00 N ATOM 0 H ARG A 61 -15.956 5.535 0.513 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.322 4.697 1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.645 2.825 -0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.060 3.079 0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.858 3.713 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.629 2.303 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.125 3.903 -0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.465 5.179 -1.246 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.366 2.890 -2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.533 5.866 -1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.941 5.970 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.176 3.038 -4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.302 4.388 -3.937 1.00 0.00 H new ATOM 985 N ASP A 62 -13.790 6.437 -1.539 1.00 0.00 N ATOM 986 CA ASP A 62 -13.127 7.166 -2.616 1.00 0.00 C ATOM 987 C ASP A 62 -12.007 7.992 -2.022 1.00 0.00 C ATOM 988 O ASP A 62 -10.872 7.943 -2.483 1.00 0.00 O ATOM 989 CB ASP A 62 -14.135 8.072 -3.315 1.00 0.00 C ATOM 990 CG ASP A 62 -13.531 8.904 -4.438 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.538 8.447 -5.592 1.00 0.00 O ATOM 992 OD2 ASP A 62 -13.085 10.049 -4.187 1.00 0.00 O ATOM 0 H ASP A 62 -14.757 6.720 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.719 6.469 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -14.941 7.460 -3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.582 8.740 -2.579 1.00 0.00 H new ATOM 997 N GLU A 63 -12.337 8.695 -0.947 1.00 0.00 N ATOM 998 CA GLU A 63 -11.389 9.490 -0.211 1.00 0.00 C ATOM 999 C GLU A 63 -10.248 8.648 0.336 1.00 0.00 C ATOM 1000 O GLU A 63 -9.073 8.987 0.153 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.107 10.232 0.903 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.202 10.934 1.876 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.942 11.933 2.683 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.704 11.550 3.593 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -11.815 13.132 2.394 1.00 0.00 O ATOM 0 H GLU A 63 -13.282 8.723 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.943 10.214 -0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.778 10.966 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.728 9.524 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.739 10.202 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.396 11.428 1.333 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.593 7.528 0.952 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.611 6.674 1.573 1.00 0.00 C ATOM 1014 C TYR A 64 -8.674 6.077 0.534 1.00 0.00 C ATOM 1015 O TYR A 64 -7.454 6.141 0.688 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.314 5.620 2.475 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.072 4.175 2.177 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -9.014 3.507 2.742 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.916 3.479 1.341 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.800 2.189 2.482 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.710 2.161 1.071 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.646 1.518 1.645 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.424 0.213 1.388 1.00 0.00 O ATOM 0 H TYR A 64 -11.553 7.194 1.032 1.00 0.00 H new ATOM 0 HA TYR A 64 -8.973 7.264 2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.010 5.805 3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.388 5.797 2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.342 4.035 3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.756 3.988 0.892 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.965 1.675 2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.379 1.628 0.411 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.948 -0.193 2.143 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.255 5.569 -0.542 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.518 5.000 -1.644 1.00 0.00 C ATOM 1035 C TYR A 65 -7.617 6.045 -2.269 1.00 0.00 C ATOM 1036 O TYR A 65 -6.467 5.779 -2.503 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.513 4.369 -2.647 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.026 4.020 -4.042 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.737 3.561 -4.305 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -9.895 4.158 -5.107 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.346 3.259 -5.588 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.514 3.854 -6.383 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.243 3.408 -6.627 1.00 0.00 C ATOM 1044 OH TYR A 65 -7.864 3.105 -7.911 1.00 0.00 O ATOM 0 H TYR A 65 -10.267 5.543 -0.670 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.860 4.204 -1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.902 3.456 -2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.353 5.055 -2.753 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.037 3.441 -3.491 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.898 4.514 -4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.343 2.907 -5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.214 3.965 -7.198 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.644 2.799 -8.419 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.129 7.245 -2.458 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.353 8.327 -3.053 1.00 0.00 C ATOM 1056 C HIS A 66 -6.153 8.704 -2.200 1.00 0.00 C ATOM 1057 O HIS A 66 -5.038 8.670 -2.679 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.233 9.553 -3.311 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.527 10.752 -3.871 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -7.404 11.950 -3.206 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -6.944 10.929 -5.075 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -6.766 12.803 -4.011 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -6.462 12.231 -5.164 1.00 0.00 N ATOM 0 H HIS A 66 -9.084 7.501 -2.208 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.975 7.961 -4.008 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.029 9.268 -3.999 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.710 9.839 -2.374 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.864 10.178 -5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.529 13.825 -3.754 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.976 12.656 -5.954 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.379 9.021 -0.937 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.297 9.488 -0.080 1.00 0.00 C ATOM 1073 C LEU A 67 -4.236 8.383 0.154 1.00 0.00 C ATOM 1074 O LEU A 67 -2.996 8.659 0.227 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.859 10.119 1.232 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.558 9.203 2.245 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.564 8.581 3.174 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.617 9.941 3.040 1.00 0.00 C ATOM 0 H LEU A 67 -7.291 8.965 -0.483 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.765 10.289 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.031 10.609 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.565 10.899 0.948 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.054 8.417 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.083 7.936 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.850 7.990 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.034 9.364 3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.087 9.255 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.155 10.763 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.372 10.336 2.361 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.694 7.131 0.206 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.782 6.027 0.382 1.00 0.00 C ATOM 1092 C LEU A 68 -3.030 5.808 -0.926 1.00 0.00 C ATOM 1093 O LEU A 68 -1.835 5.488 -0.926 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.524 4.746 0.888 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.190 3.786 -0.109 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.169 2.838 -0.706 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.272 3.000 0.579 1.00 0.00 C ATOM 0 H LEU A 68 -5.677 6.870 0.129 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.055 6.261 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.805 4.164 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.297 5.075 1.583 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.628 4.377 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.663 2.167 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.402 3.411 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.707 2.253 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.739 2.322 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.839 2.424 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.023 3.684 0.975 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.733 6.029 -2.037 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.159 5.920 -3.353 1.00 0.00 C ATOM 1111 C ALA A 69 -2.080 6.952 -3.535 1.00 0.00 C ATOM 1112 O ALA A 69 -1.092 6.691 -4.170 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.207 6.070 -4.434 1.00 0.00 C ATOM 0 H ALA A 69 -4.719 6.289 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.726 4.924 -3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.735 5.982 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.959 5.289 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.682 7.047 -4.347 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.254 8.113 -2.943 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.254 9.145 -3.065 1.00 0.00 C ATOM 1121 C GLU A 70 -0.001 8.741 -2.328 1.00 0.00 C ATOM 1122 O GLU A 70 1.107 8.849 -2.865 1.00 0.00 O ATOM 1123 CB GLU A 70 -1.721 10.477 -2.526 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.064 10.931 -3.016 1.00 0.00 C ATOM 1125 CD GLU A 70 -3.205 12.419 -2.857 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -3.147 12.915 -1.713 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -3.309 13.136 -3.867 1.00 0.00 O ATOM 0 H GLU A 70 -3.067 8.362 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.057 9.262 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.750 10.420 -1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.982 11.235 -2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.187 10.658 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.852 10.423 -2.460 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.164 8.254 -1.088 1.00 0.00 N ATOM 1135 CA LYS A 71 1.005 7.864 -0.311 1.00 0.00 C ATOM 1136 C LYS A 71 1.735 6.685 -0.951 1.00 0.00 C ATOM 1137 O LYS A 71 2.965 6.636 -0.958 1.00 0.00 O ATOM 1138 CB LYS A 71 0.685 7.644 1.195 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.203 6.445 1.566 1.00 0.00 C ATOM 1140 CD LYS A 71 0.586 5.137 1.753 1.00 0.00 C ATOM 1141 CE LYS A 71 1.612 5.225 2.892 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.999 5.590 4.205 1.00 0.00 N ATOM 0 H LYS A 71 -1.062 8.127 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 71 1.697 8.706 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.630 7.540 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.205 8.547 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.741 6.671 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.951 6.301 0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.110 4.323 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.100 4.891 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.121 4.266 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.370 5.964 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.702 5.470 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.685 6.581 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.182 4.973 4.390 1.00 0.00 H new ATOM 1156 N ILE A 72 0.991 5.762 -1.523 1.00 0.00 N ATOM 1157 CA ILE A 72 1.615 4.631 -2.155 1.00 0.00 C ATOM 1158 C ILE A 72 2.361 5.067 -3.431 1.00 0.00 C ATOM 1159 O ILE A 72 3.511 4.733 -3.613 1.00 0.00 O ATOM 1160 CB ILE A 72 0.621 3.462 -2.437 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.373 2.277 -2.915 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.432 3.818 -3.434 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.522 1.119 -3.276 1.00 0.00 C ATOM 0 H ILE A 72 -0.028 5.775 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 72 2.344 4.234 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 72 0.112 3.243 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.964 2.563 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.075 1.970 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.092 2.964 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.012 4.663 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.038 4.087 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.152 0.296 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.050 0.802 -2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.162 1.405 -4.075 1.00 0.00 H new ATOM 1175 N TYR A 73 1.693 5.859 -4.248 1.00 0.00 N ATOM 1176 CA TYR A 73 2.203 6.433 -5.495 1.00 0.00 C ATOM 1177 C TYR A 73 3.546 7.140 -5.268 1.00 0.00 C ATOM 1178 O TYR A 73 4.544 6.869 -5.981 1.00 0.00 O ATOM 1179 CB TYR A 73 1.108 7.399 -5.985 1.00 0.00 C ATOM 1180 CG TYR A 73 1.353 8.294 -7.173 1.00 0.00 C ATOM 1181 CD1 TYR A 73 2.047 9.481 -7.039 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.801 7.995 -8.403 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.193 10.350 -8.104 1.00 0.00 C ATOM 1184 CE2 TYR A 73 0.953 8.845 -9.477 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.644 10.020 -9.324 1.00 0.00 C ATOM 1186 OH TYR A 73 1.771 10.884 -10.399 1.00 0.00 O ATOM 0 H TYR A 73 0.731 6.138 -4.057 1.00 0.00 H new ATOM 0 HA TYR A 73 2.405 5.668 -6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.227 6.798 -6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.848 8.043 -5.145 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.484 9.735 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.241 7.080 -8.525 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.732 11.278 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.529 8.587 -10.436 1.00 0.00 H new ATOM 0 HH TYR A 73 1.327 10.498 -11.183 1.00 0.00 H new ATOM 1196 N LYS A 74 3.591 8.002 -4.260 1.00 0.00 N ATOM 1197 CA LYS A 74 4.805 8.732 -3.951 1.00 0.00 C ATOM 1198 C LYS A 74 5.891 7.783 -3.441 1.00 0.00 C ATOM 1199 O LYS A 74 7.052 7.963 -3.749 1.00 0.00 O ATOM 1200 CB LYS A 74 4.549 9.874 -2.959 1.00 0.00 C ATOM 1201 CG LYS A 74 4.145 9.427 -1.569 1.00 0.00 C ATOM 1202 CD LYS A 74 3.776 10.595 -0.667 1.00 0.00 C ATOM 1203 CE LYS A 74 2.559 11.362 -1.177 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.228 12.517 -0.316 1.00 0.00 N ATOM 0 H LYS A 74 2.802 8.209 -3.647 1.00 0.00 H new ATOM 0 HA LYS A 74 5.159 9.189 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.452 10.480 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.766 10.517 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.297 8.746 -1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.965 8.868 -1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.574 10.225 0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.625 11.275 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.750 11.710 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.702 10.690 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.396 13.009 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.020 12.184 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.035 13.172 -0.289 1.00 0.00 H new ATOM 1218 N ILE A 75 5.492 6.751 -2.710 1.00 0.00 N ATOM 1219 CA ILE A 75 6.417 5.753 -2.216 1.00 0.00 C ATOM 1220 C ILE A 75 6.986 4.900 -3.374 1.00 0.00 C ATOM 1221 O ILE A 75 8.161 4.519 -3.356 1.00 0.00 O ATOM 1222 CB ILE A 75 5.741 4.882 -1.095 1.00 0.00 C ATOM 1223 CG1 ILE A 75 6.079 5.400 0.318 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.083 3.418 -1.213 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.743 6.855 0.582 1.00 0.00 C ATOM 0 H ILE A 75 4.521 6.587 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 75 7.268 6.258 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 75 4.666 4.981 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.550 4.786 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.145 5.255 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.590 2.864 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.744 3.042 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.162 3.289 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.022 7.113 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.293 7.488 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.673 7.012 0.447 1.00 0.00 H new ATOM 1237 N GLN A 76 6.158 4.650 -4.382 1.00 0.00 N ATOM 1238 CA GLN A 76 6.562 3.891 -5.565 1.00 0.00 C ATOM 1239 C GLN A 76 7.681 4.636 -6.275 1.00 0.00 C ATOM 1240 O GLN A 76 8.720 4.073 -6.603 1.00 0.00 O ATOM 1241 CB GLN A 76 5.381 3.741 -6.517 1.00 0.00 C ATOM 1242 CG GLN A 76 4.205 3.004 -5.963 1.00 0.00 C ATOM 1243 CD GLN A 76 4.319 1.508 -6.014 1.00 0.00 C ATOM 1244 OE1 GLN A 76 5.406 0.932 -5.975 1.00 0.00 O ATOM 1245 NE2 GLN A 76 3.181 0.867 -6.054 1.00 0.00 N ATOM 0 H GLN A 76 5.189 4.966 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 76 6.904 2.903 -5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.055 4.735 -6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.722 3.226 -7.415 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.059 3.308 -4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.313 3.305 -6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.304 1.387 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.170 -0.153 -6.054 1.00 0.00 H new ATOM 1254 N LYS A 77 7.474 5.910 -6.505 1.00 0.00 N ATOM 1255 CA LYS A 77 8.508 6.700 -7.125 1.00 0.00 C ATOM 1256 C LYS A 77 9.687 6.974 -6.199 1.00 0.00 C ATOM 1257 O LYS A 77 10.814 7.063 -6.666 1.00 0.00 O ATOM 1258 CB LYS A 77 7.943 7.939 -7.760 1.00 0.00 C ATOM 1259 CG LYS A 77 7.000 8.707 -6.885 1.00 0.00 C ATOM 1260 CD LYS A 77 6.065 9.572 -7.689 1.00 0.00 C ATOM 1261 CE LYS A 77 5.184 8.758 -8.659 1.00 0.00 C ATOM 1262 NZ LYS A 77 5.821 8.440 -9.970 1.00 0.00 N ATOM 0 H LYS A 77 6.617 6.414 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 77 8.928 6.101 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.766 8.593 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.423 7.659 -8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.420 8.012 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.570 9.331 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.425 10.136 -7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.647 10.299 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.901 7.824 -8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.264 9.313 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.107 8.489 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.577 9.127 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.224 7.482 -9.937 1.00 0.00 H new ATOM 1276 N GLU A 78 9.420 7.066 -4.892 1.00 0.00 N ATOM 1277 CA GLU A 78 10.468 7.220 -3.876 1.00 0.00 C ATOM 1278 C GLU A 78 11.430 6.042 -3.988 1.00 0.00 C ATOM 1279 O GLU A 78 12.646 6.222 -4.085 1.00 0.00 O ATOM 1280 CB GLU A 78 9.854 7.183 -2.475 1.00 0.00 C ATOM 1281 CG GLU A 78 10.804 7.564 -1.341 1.00 0.00 C ATOM 1282 CD GLU A 78 11.040 9.061 -1.195 1.00 0.00 C ATOM 1283 OE1 GLU A 78 10.510 9.851 -1.997 1.00 0.00 O ATOM 1284 OE2 GLU A 78 11.704 9.469 -0.219 1.00 0.00 O ATOM 0 H GLU A 78 8.475 7.036 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 78 10.979 8.170 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.998 7.857 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.474 6.179 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.404 7.178 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.762 7.072 -1.505 1.00 0.00 H new ATOM 1291 N LEU A 79 10.870 4.826 -4.007 1.00 0.00 N ATOM 1292 CA LEU A 79 11.665 3.625 -4.098 1.00 0.00 C ATOM 1293 C LEU A 79 12.402 3.547 -5.427 1.00 0.00 C ATOM 1294 O LEU A 79 13.553 3.118 -5.470 1.00 0.00 O ATOM 1295 CB LEU A 79 10.844 2.340 -3.767 1.00 0.00 C ATOM 1296 CG LEU A 79 9.666 1.963 -4.675 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.096 1.257 -5.955 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.673 1.135 -3.940 1.00 0.00 C ATOM 0 H LEU A 79 9.864 4.662 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 79 12.431 3.680 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.537 1.499 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.459 2.446 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 79 9.202 2.903 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.216 1.018 -6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.756 1.910 -6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.624 0.337 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.848 0.881 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.151 0.220 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.292 1.696 -3.087 1.00 0.00 H new ATOM 1310 N GLU A 80 11.750 4.000 -6.484 1.00 0.00 N ATOM 1311 CA GLU A 80 12.326 4.040 -7.812 1.00 0.00 C ATOM 1312 C GLU A 80 13.559 4.923 -7.860 1.00 0.00 C ATOM 1313 O GLU A 80 14.648 4.468 -8.244 1.00 0.00 O ATOM 1314 CB GLU A 80 11.285 4.552 -8.784 1.00 0.00 C ATOM 1315 CG GLU A 80 10.746 3.510 -9.722 1.00 0.00 C ATOM 1316 CD GLU A 80 11.765 3.122 -10.756 1.00 0.00 C ATOM 1317 OE1 GLU A 80 11.969 3.897 -11.707 1.00 0.00 O ATOM 1318 OE2 GLU A 80 12.389 2.049 -10.646 1.00 0.00 O ATOM 0 H GLU A 80 10.794 4.354 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 80 12.634 3.031 -8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.456 4.978 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.720 5.361 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.447 2.628 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.852 3.890 -10.215 1.00 0.00 H new ATOM 1325 N GLU A 81 13.414 6.153 -7.408 1.00 0.00 N ATOM 1326 CA GLU A 81 14.500 7.094 -7.465 1.00 0.00 C ATOM 1327 C GLU A 81 15.615 6.729 -6.502 1.00 0.00 C ATOM 1328 O GLU A 81 16.783 6.812 -6.858 1.00 0.00 O ATOM 1329 CB GLU A 81 14.025 8.544 -7.273 1.00 0.00 C ATOM 1330 CG GLU A 81 13.294 8.811 -5.974 1.00 0.00 C ATOM 1331 CD GLU A 81 12.974 10.260 -5.791 1.00 0.00 C ATOM 1332 OE1 GLU A 81 13.872 11.015 -5.402 1.00 0.00 O ATOM 1333 OE2 GLU A 81 11.830 10.687 -6.027 1.00 0.00 O ATOM 0 H GLU A 81 12.554 6.518 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 81 14.915 7.033 -8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.891 9.204 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.369 8.809 -8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.371 8.232 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.904 8.468 -5.139 1.00 0.00 H new ATOM 1340 N LYS A 82 15.256 6.269 -5.306 1.00 0.00 N ATOM 1341 CA LYS A 82 16.245 5.916 -4.301 1.00 0.00 C ATOM 1342 C LYS A 82 17.072 4.714 -4.772 1.00 0.00 C ATOM 1343 O LYS A 82 18.255 4.621 -4.475 1.00 0.00 O ATOM 1344 CB LYS A 82 15.563 5.640 -2.922 1.00 0.00 C ATOM 1345 CG LYS A 82 14.858 4.288 -2.783 1.00 0.00 C ATOM 1346 CD LYS A 82 15.748 3.273 -2.070 1.00 0.00 C ATOM 1347 CE LYS A 82 15.460 1.834 -2.489 1.00 0.00 C ATOM 1348 NZ LYS A 82 14.027 1.449 -2.409 1.00 0.00 N ATOM 0 H LYS A 82 14.288 6.134 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 82 16.923 6.759 -4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.321 5.714 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.834 6.429 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.929 4.415 -2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.590 3.911 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.793 3.504 -2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.608 3.368 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.806 1.690 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.041 1.161 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.923 0.445 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.680 1.601 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.474 2.031 -3.070 1.00 0.00 H new ATOM 1362 N ARG A 83 16.429 3.804 -5.505 1.00 0.00 N ATOM 1363 CA ARG A 83 17.097 2.615 -5.987 1.00 0.00 C ATOM 1364 C ARG A 83 17.971 2.934 -7.197 1.00 0.00 C ATOM 1365 O ARG A 83 19.076 2.409 -7.318 1.00 0.00 O ATOM 1366 CB ARG A 83 16.095 1.500 -6.329 1.00 0.00 C ATOM 1367 CG ARG A 83 16.744 0.150 -6.610 1.00 0.00 C ATOM 1368 CD ARG A 83 17.342 -0.453 -5.340 1.00 0.00 C ATOM 1369 NE ARG A 83 18.273 -1.537 -5.640 1.00 0.00 N ATOM 1370 CZ ARG A 83 18.794 -2.386 -4.746 1.00 0.00 C ATOM 1371 NH1 ARG A 83 18.271 -2.518 -3.525 1.00 0.00 N ATOM 1372 NH2 ARG A 83 19.824 -3.153 -5.104 1.00 0.00 N ATOM 0 H ARG A 83 15.447 3.876 -5.773 1.00 0.00 H new ATOM 0 HA ARG A 83 17.736 2.254 -5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.393 1.390 -5.502 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.515 1.802 -7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.003 -0.533 -7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.525 0.269 -7.361 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.859 0.324 -4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.541 -0.828 -4.704 1.00 0.00 H new ATOM 0 HE ARG A 83 18.550 -1.658 -6.614 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.457 -1.965 -3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.685 -3.172 -2.861 1.00 0.00 H new ATOM 0 HH21 ARG A 83 20.204 -3.088 -6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.232 -3.805 -4.434 1.00 0.00 H new ATOM 1386 N ARG A 84 17.470 3.776 -8.100 1.00 0.00 N ATOM 1387 CA ARG A 84 18.227 4.118 -9.291 1.00 0.00 C ATOM 1388 C ARG A 84 19.407 5.022 -8.955 1.00 0.00 C ATOM 1389 O ARG A 84 20.533 4.618 -9.169 1.00 0.00 O ATOM 1390 CB ARG A 84 17.319 4.773 -10.358 1.00 0.00 C ATOM 1391 CG ARG A 84 18.058 5.289 -11.607 1.00 0.00 C ATOM 1392 CD ARG A 84 18.790 4.181 -12.361 1.00 0.00 C ATOM 1393 NE ARG A 84 17.881 3.187 -12.950 1.00 0.00 N ATOM 1394 CZ ARG A 84 18.235 1.927 -13.268 1.00 0.00 C ATOM 1395 NH1 ARG A 84 19.445 1.468 -12.944 1.00 0.00 N ATOM 1396 NH2 ARG A 84 17.375 1.122 -13.898 1.00 0.00 N ATOM 0 H ARG A 84 16.557 4.225 -8.027 1.00 0.00 H new ATOM 0 HA ARG A 84 18.623 3.192 -9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.569 4.047 -10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.785 5.605 -9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.342 5.766 -12.276 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.775 6.054 -11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.394 4.626 -13.152 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.476 3.678 -11.680 1.00 0.00 H new ATOM 0 HE ARG A 84 16.918 3.471 -13.130 1.00 0.00 H new ATOM 0 HH11 ARG A 84 20.105 2.072 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.710 0.513 -13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.444 1.461 -14.141 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.649 0.169 -14.136 1.00 0.00 H new ATOM 1410 N SER A 85 19.116 6.202 -8.371 1.00 0.00 N ATOM 1411 CA SER A 85 20.084 7.258 -7.968 1.00 0.00 C ATOM 1412 C SER A 85 19.333 8.562 -7.665 1.00 0.00 C ATOM 1413 O SER A 85 19.093 9.366 -8.561 1.00 0.00 O ATOM 1414 CB SER A 85 21.182 7.579 -9.045 1.00 0.00 C ATOM 1415 OG SER A 85 22.149 6.538 -9.179 1.00 0.00 O ATOM 0 H SER A 85 18.154 6.463 -8.154 1.00 0.00 H new ATOM 0 HA SER A 85 20.594 6.860 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 85 20.701 7.747 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.688 8.506 -8.775 1.00 0.00 H new ATOM 0 HG SER A 85 21.700 5.705 -9.432 1.00 0.00 H new ATOM 1421 N ARG A 86 18.883 8.738 -6.446 1.00 0.00 N ATOM 1422 CA ARG A 86 18.275 10.008 -6.083 1.00 0.00 C ATOM 1423 C ARG A 86 19.353 10.828 -5.404 1.00 0.00 C ATOM 1424 O ARG A 86 19.361 12.057 -5.442 1.00 0.00 O ATOM 1425 CB ARG A 86 17.045 9.837 -5.149 1.00 0.00 C ATOM 1426 CG ARG A 86 17.369 9.617 -3.673 1.00 0.00 C ATOM 1427 CD ARG A 86 16.116 9.470 -2.813 1.00 0.00 C ATOM 1428 NE ARG A 86 15.083 10.475 -3.105 1.00 0.00 N ATOM 1429 CZ ARG A 86 14.300 11.084 -2.207 1.00 0.00 C ATOM 1430 NH1 ARG A 86 14.640 11.134 -0.925 1.00 0.00 N ATOM 1431 NH2 ARG A 86 13.232 11.725 -2.628 1.00 0.00 N ATOM 0 H ARG A 86 18.921 8.042 -5.701 1.00 0.00 H new ATOM 0 HA ARG A 86 17.897 10.503 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 86 16.417 10.723 -5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 86 16.455 8.992 -5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 86 17.984 8.723 -3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 86 17.961 10.455 -3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.697 8.475 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.396 9.543 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 86 14.951 10.732 -4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.510 10.704 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.031 11.602 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.013 11.752 -3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.623 12.195 -1.959 1.00 0.00 H new ATOM 1445 N LEU A 87 20.262 10.105 -4.787 1.00 0.00 N ATOM 1446 CA LEU A 87 21.415 10.655 -4.112 1.00 0.00 C ATOM 1447 C LEU A 87 22.596 10.648 -5.065 1.00 0.00 C ATOM 1448 O LEU A 87 22.615 9.842 -6.022 1.00 0.00 O ATOM 1449 CB LEU A 87 21.733 9.785 -2.893 1.00 0.00 C ATOM 1450 CG LEU A 87 20.642 9.713 -1.820 1.00 0.00 C ATOM 1451 CD1 LEU A 87 20.942 8.611 -0.823 1.00 0.00 C ATOM 1452 CD2 LEU A 87 20.519 11.048 -1.101 1.00 0.00 C ATOM 0 H LEU A 87 20.217 9.087 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 87 21.214 11.677 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 87 21.944 8.773 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 87 22.646 10.161 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 87 19.695 9.487 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 87 20.155 8.577 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.989 7.654 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 87 21.899 8.809 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 87 19.740 10.982 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 87 21.469 11.294 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 87 20.260 11.826 -1.819 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 20.502 20.113 12.870 1.00 0.00 N ATOM 1466 CA GLY B 101 19.503 19.311 12.197 1.00 0.00 C ATOM 1467 C GLY B 101 20.128 18.429 11.141 1.00 0.00 C ATOM 1468 O GLY B 101 19.490 18.059 10.163 1.00 0.00 O ATOM 0 HA2 GLY B 101 18.978 18.693 12.926 1.00 0.00 H new ATOM 0 HA3 GLY B 101 18.760 19.962 11.737 1.00 0.00 H new ATOM 1472 N SER B 102 21.381 18.126 11.322 1.00 0.00 N ATOM 1473 CA SER B 102 22.085 17.285 10.396 1.00 0.00 C ATOM 1474 C SER B 102 22.091 15.854 10.937 1.00 0.00 C ATOM 1475 O SER B 102 21.957 14.874 10.180 1.00 0.00 O ATOM 1476 CB SER B 102 23.508 17.812 10.193 1.00 0.00 C ATOM 1477 OG SER B 102 24.160 17.164 9.122 1.00 0.00 O ATOM 0 H SER B 102 21.941 18.452 12.110 1.00 0.00 H new ATOM 0 HA SER B 102 21.589 17.291 9.426 1.00 0.00 H new ATOM 0 HB2 SER B 102 23.474 18.885 10.002 1.00 0.00 H new ATOM 0 HB3 SER B 102 24.082 17.669 11.108 1.00 0.00 H new ATOM 0 HG SER B 102 25.065 17.527 9.022 1.00 0.00 H new ATOM 1483 N MET B 103 22.211 15.728 12.253 1.00 0.00 N ATOM 1484 CA MET B 103 22.179 14.417 12.888 1.00 0.00 C ATOM 1485 C MET B 103 20.754 14.006 13.160 1.00 0.00 C ATOM 1486 O MET B 103 20.449 12.835 13.404 1.00 0.00 O ATOM 1487 CB MET B 103 23.017 14.382 14.164 1.00 0.00 C ATOM 1488 CG MET B 103 24.502 14.568 13.915 1.00 0.00 C ATOM 1489 SD MET B 103 25.155 13.368 12.726 1.00 0.00 S ATOM 1490 CE MET B 103 24.795 11.807 13.550 1.00 0.00 C ATOM 0 H MET B 103 22.330 16.510 12.896 1.00 0.00 H new ATOM 0 HA MET B 103 22.624 13.699 12.199 1.00 0.00 H new ATOM 0 HB2 MET B 103 22.669 15.163 14.840 1.00 0.00 H new ATOM 0 HB3 MET B 103 22.857 13.429 14.669 1.00 0.00 H new ATOM 0 HG2 MET B 103 24.683 15.577 13.545 1.00 0.00 H new ATOM 0 HG3 MET B 103 25.041 14.472 14.858 1.00 0.00 H new ATOM 0 HE1 MET B 103 25.352 11.004 13.067 1.00 0.00 H new ATOM 0 HE2 MET B 103 25.088 11.873 14.598 1.00 0.00 H new ATOM 0 HE3 MET B 103 23.727 11.599 13.484 1.00 0.00 H new ATOM 1500 N SER B 104 19.892 14.968 13.134 1.00 0.00 N ATOM 1501 CA SER B 104 18.507 14.727 13.252 1.00 0.00 C ATOM 1502 C SER B 104 17.962 14.652 11.836 1.00 0.00 C ATOM 1503 O SER B 104 17.979 15.638 11.108 1.00 0.00 O ATOM 1504 CB SER B 104 17.845 15.864 14.047 1.00 0.00 C ATOM 1505 OG SER B 104 16.499 15.562 14.378 1.00 0.00 O ATOM 0 H SER B 104 20.140 15.952 13.029 1.00 0.00 H new ATOM 0 HA SER B 104 18.300 13.801 13.788 1.00 0.00 H new ATOM 0 HB2 SER B 104 18.412 16.047 14.960 1.00 0.00 H new ATOM 0 HB3 SER B 104 17.878 16.783 13.462 1.00 0.00 H new ATOM 0 HG SER B 104 16.112 16.306 14.884 1.00 0.00 H new ATOM 1511 N HIS B 105 17.572 13.477 11.414 1.00 0.00 N ATOM 1512 CA HIS B 105 17.041 13.327 10.082 1.00 0.00 C ATOM 1513 C HIS B 105 15.558 13.621 10.057 1.00 0.00 C ATOM 1514 O HIS B 105 14.873 13.487 11.076 1.00 0.00 O ATOM 1515 CB HIS B 105 17.402 11.965 9.433 1.00 0.00 C ATOM 1516 CG HIS B 105 17.102 10.739 10.254 1.00 0.00 C ATOM 1517 ND1 HIS B 105 18.048 9.790 10.579 1.00 0.00 N ATOM 1518 CD2 HIS B 105 15.937 10.296 10.781 1.00 0.00 C ATOM 1519 CE1 HIS B 105 17.449 8.826 11.270 1.00 0.00 C ATOM 1520 NE2 HIS B 105 16.161 9.086 11.422 1.00 0.00 N ATOM 0 H HIS B 105 17.611 12.619 11.965 1.00 0.00 H new ATOM 0 HA HIS B 105 17.529 14.072 9.453 1.00 0.00 H new ATOM 0 HB2 HIS B 105 16.867 11.883 8.487 1.00 0.00 H new ATOM 0 HB3 HIS B 105 18.466 11.968 9.198 1.00 0.00 H new ATOM 0 HD2 HIS B 105 14.986 10.803 10.714 1.00 0.00 H new ATOM 0 HE1 HIS B 105 17.947 7.948 11.656 1.00 0.00 H new ATOM 0 HE2 HIS B 105 15.473 8.514 11.911 1.00 0.00 H new ATOM 1528 N TYR B 106 15.083 14.015 8.910 1.00 0.00 N ATOM 1529 CA TYR B 106 13.729 14.443 8.698 1.00 0.00 C ATOM 1530 C TYR B 106 13.572 14.609 7.220 1.00 0.00 C ATOM 1531 O TYR B 106 14.585 14.702 6.511 1.00 0.00 O ATOM 1532 CB TYR B 106 13.409 15.772 9.446 1.00 0.00 C ATOM 1533 CG TYR B 106 14.282 16.968 9.070 1.00 0.00 C ATOM 1534 CD1 TYR B 106 13.938 17.802 8.012 1.00 0.00 C ATOM 1535 CD2 TYR B 106 15.437 17.263 9.782 1.00 0.00 C ATOM 1536 CE1 TYR B 106 14.720 18.887 7.674 1.00 0.00 C ATOM 1537 CE2 TYR B 106 16.224 18.348 9.449 1.00 0.00 C ATOM 1538 CZ TYR B 106 15.861 19.155 8.394 1.00 0.00 C ATOM 1539 OH TYR B 106 16.645 20.240 8.053 1.00 0.00 O ATOM 0 H TYR B 106 15.651 14.048 8.063 1.00 0.00 H new ATOM 0 HA TYR B 106 13.030 13.708 9.096 1.00 0.00 H new ATOM 0 HB2 TYR B 106 12.367 16.032 9.258 1.00 0.00 H new ATOM 0 HB3 TYR B 106 13.505 15.597 10.518 1.00 0.00 H new ATOM 0 HD1 TYR B 106 13.042 17.597 7.445 1.00 0.00 H new ATOM 0 HD2 TYR B 106 15.725 16.633 10.611 1.00 0.00 H new ATOM 0 HE1 TYR B 106 14.438 19.523 6.848 1.00 0.00 H new ATOM 0 HE2 TYR B 106 17.120 18.562 10.013 1.00 0.00 H new ATOM 0 HH TYR B 106 17.413 20.292 8.659 1.00 0.00 H new ATOM 1549 N GLY B 107 12.354 14.617 6.742 1.00 0.00 N ATOM 1550 CA GLY B 107 12.100 14.741 5.323 1.00 0.00 C ATOM 1551 C GLY B 107 12.326 13.428 4.603 1.00 0.00 C ATOM 1552 O GLY B 107 11.407 12.838 4.049 1.00 0.00 O ATOM 0 H GLY B 107 11.515 14.539 7.316 1.00 0.00 H new ATOM 0 HA2 GLY B 107 11.074 15.073 5.163 1.00 0.00 H new ATOM 0 HA3 GLY B 107 12.752 15.506 4.901 1.00 0.00 H new ATOM 1556 N ASN B 108 13.540 12.937 4.710 1.00 0.00 N ATOM 1557 CA ASN B 108 14.005 11.681 4.115 1.00 0.00 C ATOM 1558 C ASN B 108 13.491 10.458 4.844 1.00 0.00 C ATOM 1559 O ASN B 108 14.084 9.376 4.779 1.00 0.00 O ATOM 1560 CB ASN B 108 15.524 11.659 4.054 1.00 0.00 C ATOM 1561 CG ASN B 108 16.173 11.903 5.384 1.00 0.00 C ATOM 1562 OD1 ASN B 108 15.658 11.558 6.451 1.00 0.00 O ATOM 1563 ND2 ASN B 108 17.272 12.520 5.350 1.00 0.00 N ATOM 0 H ASN B 108 14.271 13.416 5.236 1.00 0.00 H new ATOM 0 HA ASN B 108 13.597 11.640 3.105 1.00 0.00 H new ATOM 0 HB2 ASN B 108 15.852 10.693 3.669 1.00 0.00 H new ATOM 0 HB3 ASN B 108 15.864 12.416 3.347 1.00 0.00 H new ATOM 0 HD21 ASN B 108 17.757 12.746 6.218 1.00 0.00 H new ATOM 0 HD22 ASN B 108 17.676 12.794 4.454 1.00 0.00 H new ATOM 1570 N GLN B 109 12.351 10.603 5.459 1.00 0.00 N ATOM 1571 CA GLN B 109 11.786 9.566 6.255 1.00 0.00 C ATOM 1572 C GLN B 109 11.295 8.450 5.368 1.00 0.00 C ATOM 1573 O GLN B 109 11.456 7.284 5.683 1.00 0.00 O ATOM 1574 CB GLN B 109 10.655 10.097 7.124 1.00 0.00 C ATOM 1575 CG GLN B 109 10.961 11.364 7.959 1.00 0.00 C ATOM 1576 CD GLN B 109 12.239 11.329 8.835 1.00 0.00 C ATOM 1577 OE1 GLN B 109 12.241 11.879 9.931 1.00 0.00 O ATOM 1578 NE2 GLN B 109 13.349 10.869 8.308 1.00 0.00 N ATOM 0 H GLN B 109 11.789 11.453 5.418 1.00 0.00 H new ATOM 0 HA GLN B 109 12.559 9.178 6.918 1.00 0.00 H new ATOM 0 HB2 GLN B 109 9.802 10.311 6.480 1.00 0.00 H new ATOM 0 HB3 GLN B 109 10.349 9.304 7.807 1.00 0.00 H new ATOM 0 HG2 GLN B 109 11.039 12.210 7.277 1.00 0.00 H new ATOM 0 HG3 GLN B 109 10.108 11.557 8.609 1.00 0.00 H new ATOM 0 HE21 GLN B 109 13.330 10.414 7.395 1.00 0.00 H new ATOM 0 HE22 GLN B 109 14.231 10.966 8.811 1.00 0.00 H new ATOM 1587 N THR B 110 10.774 8.824 4.225 1.00 0.00 N ATOM 1588 CA THR B 110 10.269 7.885 3.263 1.00 0.00 C ATOM 1589 C THR B 110 11.428 7.130 2.618 1.00 0.00 C ATOM 1590 O THR B 110 11.357 5.913 2.397 1.00 0.00 O ATOM 1591 CB THR B 110 9.467 8.649 2.221 1.00 0.00 C ATOM 1592 OG1 THR B 110 10.179 9.861 1.926 1.00 0.00 O ATOM 1593 CG2 THR B 110 8.082 8.985 2.746 1.00 0.00 C ATOM 0 H THR B 110 10.689 9.799 3.937 1.00 0.00 H new ATOM 0 HA THR B 110 9.623 7.153 3.748 1.00 0.00 H new ATOM 0 HB THR B 110 9.346 8.039 1.326 1.00 0.00 H new ATOM 0 HG1 THR B 110 10.901 9.670 1.291 1.00 0.00 H new ATOM 0 HG21 THR B 110 7.527 9.531 1.984 1.00 0.00 H new ATOM 0 HG22 THR B 110 7.552 8.064 2.991 1.00 0.00 H new ATOM 0 HG23 THR B 110 8.172 9.601 3.641 1.00 0.00 H new ATOM 1601 N LEU B 111 12.508 7.869 2.369 1.00 0.00 N ATOM 1602 CA LEU B 111 13.734 7.334 1.821 1.00 0.00 C ATOM 1603 C LEU B 111 14.273 6.222 2.699 1.00 0.00 C ATOM 1604 O LEU B 111 14.413 5.084 2.248 1.00 0.00 O ATOM 1605 CB LEU B 111 14.788 8.455 1.679 1.00 0.00 C ATOM 1606 CG LEU B 111 16.233 8.017 1.362 1.00 0.00 C ATOM 1607 CD1 LEU B 111 16.311 7.248 0.060 1.00 0.00 C ATOM 1608 CD2 LEU B 111 17.167 9.215 1.335 1.00 0.00 C ATOM 0 H LEU B 111 12.547 8.872 2.549 1.00 0.00 H new ATOM 0 HA LEU B 111 13.518 6.922 0.835 1.00 0.00 H new ATOM 0 HB2 LEU B 111 14.458 9.133 0.892 1.00 0.00 H new ATOM 0 HB3 LEU B 111 14.802 9.027 2.607 1.00 0.00 H new ATOM 0 HG LEU B 111 16.554 7.347 2.160 1.00 0.00 H new ATOM 0 HD11 LEU B 111 17.344 6.957 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU B 111 15.689 6.356 0.127 1.00 0.00 H new ATOM 0 HD13 LEU B 111 15.956 7.877 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU B 111 18.180 8.882 1.110 1.00 0.00 H new ATOM 0 HD22 LEU B 111 16.837 9.916 0.569 1.00 0.00 H new ATOM 0 HD23 LEU B 111 17.155 9.708 2.307 1.00 0.00 H new ATOM 1620 N GLN B 112 14.525 6.541 3.953 1.00 0.00 N ATOM 1621 CA GLN B 112 15.112 5.587 4.870 1.00 0.00 C ATOM 1622 C GLN B 112 14.152 4.436 5.184 1.00 0.00 C ATOM 1623 O GLN B 112 14.580 3.286 5.288 1.00 0.00 O ATOM 1624 CB GLN B 112 15.597 6.272 6.154 1.00 0.00 C ATOM 1625 CG GLN B 112 14.498 6.937 6.966 1.00 0.00 C ATOM 1626 CD GLN B 112 14.997 7.602 8.225 1.00 0.00 C ATOM 1627 OE1 GLN B 112 14.288 7.664 9.219 1.00 0.00 O ATOM 1628 NE2 GLN B 112 16.181 8.140 8.189 1.00 0.00 N ATOM 0 H GLN B 112 14.332 7.456 4.360 1.00 0.00 H new ATOM 0 HA GLN B 112 15.982 5.157 4.374 1.00 0.00 H new ATOM 0 HB2 GLN B 112 16.097 5.532 6.779 1.00 0.00 H new ATOM 0 HB3 GLN B 112 16.342 7.023 5.891 1.00 0.00 H new ATOM 0 HG2 GLN B 112 13.998 7.681 6.345 1.00 0.00 H new ATOM 0 HG3 GLN B 112 13.751 6.189 7.231 1.00 0.00 H new ATOM 0 HE21 GLN B 112 16.747 8.070 7.344 1.00 0.00 H new ATOM 0 HE22 GLN B 112 16.543 8.632 9.006 1.00 0.00 H new ATOM 1637 N ASP B 113 12.862 4.741 5.297 1.00 0.00 N ATOM 1638 CA ASP B 113 11.852 3.730 5.622 1.00 0.00 C ATOM 1639 C ASP B 113 11.789 2.700 4.508 1.00 0.00 C ATOM 1640 O ASP B 113 11.979 1.503 4.735 1.00 0.00 O ATOM 1641 CB ASP B 113 10.472 4.376 5.807 1.00 0.00 C ATOM 1642 CG ASP B 113 9.451 3.462 6.462 1.00 0.00 C ATOM 1643 OD1 ASP B 113 8.900 2.566 5.798 1.00 0.00 O ATOM 1644 OD2 ASP B 113 9.170 3.642 7.670 1.00 0.00 O ATOM 0 H ASP B 113 12.488 5.681 5.169 1.00 0.00 H new ATOM 0 HA ASP B 113 12.134 3.246 6.557 1.00 0.00 H new ATOM 0 HB2 ASP B 113 10.581 5.276 6.412 1.00 0.00 H new ATOM 0 HB3 ASP B 113 10.094 4.689 4.834 1.00 0.00 H new ATOM 1649 N LEU B 114 11.624 3.178 3.281 1.00 0.00 N ATOM 1650 CA LEU B 114 11.508 2.291 2.142 1.00 0.00 C ATOM 1651 C LEU B 114 12.830 1.598 1.868 1.00 0.00 C ATOM 1652 O LEU B 114 12.851 0.495 1.378 1.00 0.00 O ATOM 1653 CB LEU B 114 11.027 3.036 0.896 1.00 0.00 C ATOM 1654 CG LEU B 114 9.808 2.434 0.161 1.00 0.00 C ATOM 1655 CD1 LEU B 114 10.062 1.004 -0.351 1.00 0.00 C ATOM 1656 CD2 LEU B 114 8.597 2.466 1.070 1.00 0.00 C ATOM 0 H LEU B 114 11.568 4.171 3.055 1.00 0.00 H new ATOM 0 HA LEU B 114 10.761 1.536 2.387 1.00 0.00 H new ATOM 0 HB2 LEU B 114 10.782 4.058 1.183 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.856 3.093 0.191 1.00 0.00 H new ATOM 0 HG LEU B 114 9.625 3.048 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.170 0.635 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU B 114 10.899 1.011 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU B 114 10.296 0.352 0.491 1.00 0.00 H new ATOM 0 HD21 LEU B 114 7.739 2.041 0.549 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.801 1.883 1.968 1.00 0.00 H new ATOM 0 HD23 LEU B 114 8.378 3.497 1.348 1.00 0.00 H new ATOM 1668 N LEU B 115 13.933 2.257 2.182 1.00 0.00 N ATOM 1669 CA LEU B 115 15.257 1.650 2.033 1.00 0.00 C ATOM 1670 C LEU B 115 15.402 0.469 2.999 1.00 0.00 C ATOM 1671 O LEU B 115 15.985 -0.565 2.652 1.00 0.00 O ATOM 1672 CB LEU B 115 16.374 2.677 2.274 1.00 0.00 C ATOM 1673 CG LEU B 115 17.814 2.182 2.073 1.00 0.00 C ATOM 1674 CD1 LEU B 115 18.051 1.745 0.628 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.808 3.260 2.477 1.00 0.00 C ATOM 0 H LEU B 115 13.944 3.211 2.542 1.00 0.00 H new ATOM 0 HA LEU B 115 15.352 1.290 1.009 1.00 0.00 H new ATOM 0 HB2 LEU B 115 16.208 3.524 1.608 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.281 3.050 3.294 1.00 0.00 H new ATOM 0 HG LEU B 115 17.964 1.313 2.713 1.00 0.00 H new ATOM 0 HD11 LEU B 115 19.079 1.400 0.516 1.00 0.00 H new ATOM 0 HD12 LEU B 115 17.367 0.935 0.376 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.877 2.588 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.823 2.893 2.328 1.00 0.00 H new ATOM 0 HD22 LEU B 115 18.650 4.148 1.865 1.00 0.00 H new ATOM 0 HD23 LEU B 115 18.664 3.513 3.527 1.00 0.00 H new ATOM 1687 N THR B 116 14.834 0.616 4.183 1.00 0.00 N ATOM 1688 CA THR B 116 14.850 -0.433 5.184 1.00 0.00 C ATOM 1689 C THR B 116 14.056 -1.648 4.664 1.00 0.00 C ATOM 1690 O THR B 116 14.528 -2.797 4.712 1.00 0.00 O ATOM 1691 CB THR B 116 14.234 0.080 6.512 1.00 0.00 C ATOM 1692 OG1 THR B 116 14.944 1.254 6.951 1.00 0.00 O ATOM 1693 CG2 THR B 116 14.311 -0.974 7.595 1.00 0.00 C ATOM 0 H THR B 116 14.350 1.465 4.476 1.00 0.00 H new ATOM 0 HA THR B 116 15.881 -0.730 5.376 1.00 0.00 H new ATOM 0 HB THR B 116 13.186 0.316 6.329 1.00 0.00 H new ATOM 0 HG1 THR B 116 14.766 1.994 6.334 1.00 0.00 H new ATOM 0 HG21 THR B 116 13.871 -0.585 8.513 1.00 0.00 H new ATOM 0 HG22 THR B 116 13.763 -1.862 7.278 1.00 0.00 H new ATOM 0 HG23 THR B 116 15.354 -1.236 7.774 1.00 0.00 H new ATOM 1701 N SER B 117 12.890 -1.372 4.125 1.00 0.00 N ATOM 1702 CA SER B 117 12.026 -2.383 3.555 1.00 0.00 C ATOM 1703 C SER B 117 12.656 -2.998 2.292 1.00 0.00 C ATOM 1704 O SER B 117 12.519 -4.184 2.029 1.00 0.00 O ATOM 1705 CB SER B 117 10.724 -1.724 3.210 1.00 0.00 C ATOM 1706 OG SER B 117 10.230 -0.997 4.318 1.00 0.00 O ATOM 0 H SER B 117 12.510 -0.427 4.069 1.00 0.00 H new ATOM 0 HA SER B 117 11.875 -3.190 4.272 1.00 0.00 H new ATOM 0 HB2 SER B 117 10.862 -1.055 2.360 1.00 0.00 H new ATOM 0 HB3 SER B 117 9.997 -2.478 2.908 1.00 0.00 H new ATOM 0 HG SER B 117 9.471 -0.445 4.035 1.00 0.00 H new ATOM 1712 N ASP B 118 13.367 -2.173 1.548 1.00 0.00 N ATOM 1713 CA ASP B 118 14.060 -2.572 0.313 1.00 0.00 C ATOM 1714 C ASP B 118 15.152 -3.569 0.663 1.00 0.00 C ATOM 1715 O ASP B 118 15.416 -4.522 -0.066 1.00 0.00 O ATOM 1716 CB ASP B 118 14.673 -1.319 -0.317 1.00 0.00 C ATOM 1717 CG ASP B 118 15.104 -1.459 -1.754 1.00 0.00 C ATOM 1718 OD1 ASP B 118 14.260 -1.208 -2.642 1.00 0.00 O ATOM 1719 OD2 ASP B 118 16.281 -1.669 -2.015 1.00 0.00 O ATOM 0 H ASP B 118 13.489 -1.187 1.779 1.00 0.00 H new ATOM 0 HA ASP B 118 13.368 -3.035 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.947 -0.508 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.538 -1.022 0.276 1.00 0.00 H new ATOM 1724 N SER B 119 15.739 -3.365 1.836 1.00 0.00 N ATOM 1725 CA SER B 119 16.760 -4.239 2.358 1.00 0.00 C ATOM 1726 C SER B 119 16.150 -5.583 2.803 1.00 0.00 C ATOM 1727 O SER B 119 16.832 -6.601 2.816 1.00 0.00 O ATOM 1728 CB SER B 119 17.481 -3.569 3.528 1.00 0.00 C ATOM 1729 OG SER B 119 18.047 -2.306 3.151 1.00 0.00 O ATOM 0 H SER B 119 15.513 -2.582 2.449 1.00 0.00 H new ATOM 0 HA SER B 119 17.483 -4.436 1.567 1.00 0.00 H new ATOM 0 HB2 SER B 119 16.781 -3.423 4.351 1.00 0.00 H new ATOM 0 HB3 SER B 119 18.270 -4.226 3.894 1.00 0.00 H new ATOM 0 HG SER B 119 17.335 -1.707 2.844 1.00 0.00 H new ATOM 1735 N LEU B 120 14.858 -5.579 3.149 1.00 0.00 N ATOM 1736 CA LEU B 120 14.162 -6.779 3.534 1.00 0.00 C ATOM 1737 C LEU B 120 14.072 -7.708 2.334 1.00 0.00 C ATOM 1738 O LEU B 120 14.348 -8.908 2.446 1.00 0.00 O ATOM 1739 CB LEU B 120 12.775 -6.426 4.144 1.00 0.00 C ATOM 1740 CG LEU B 120 11.849 -7.592 4.522 1.00 0.00 C ATOM 1741 CD1 LEU B 120 10.918 -7.181 5.652 1.00 0.00 C ATOM 1742 CD2 LEU B 120 11.003 -8.034 3.327 1.00 0.00 C ATOM 0 H LEU B 120 14.280 -4.739 3.165 1.00 0.00 H new ATOM 0 HA LEU B 120 14.711 -7.307 4.314 1.00 0.00 H new ATOM 0 HB2 LEU B 120 12.944 -5.827 5.039 1.00 0.00 H new ATOM 0 HB3 LEU B 120 12.245 -5.793 3.432 1.00 0.00 H new ATOM 0 HG LEU B 120 12.480 -8.422 4.841 1.00 0.00 H new ATOM 0 HD11 LEU B 120 10.267 -8.017 5.910 1.00 0.00 H new ATOM 0 HD12 LEU B 120 11.507 -6.898 6.524 1.00 0.00 H new ATOM 0 HD13 LEU B 120 10.311 -6.334 5.333 1.00 0.00 H new ATOM 0 HD21 LEU B 120 10.357 -8.860 3.624 1.00 0.00 H new ATOM 0 HD22 LEU B 120 10.390 -7.199 2.986 1.00 0.00 H new ATOM 0 HD23 LEU B 120 11.658 -8.358 2.518 1.00 0.00 H new ATOM 1754 N SER B 121 13.707 -7.146 1.195 1.00 0.00 N ATOM 1755 CA SER B 121 13.687 -7.871 -0.049 1.00 0.00 C ATOM 1756 C SER B 121 15.115 -8.276 -0.397 1.00 0.00 C ATOM 1757 O SER B 121 15.397 -9.459 -0.688 1.00 0.00 O ATOM 1758 CB SER B 121 13.117 -6.965 -1.121 1.00 0.00 C ATOM 1759 OG SER B 121 11.878 -6.443 -0.690 1.00 0.00 O ATOM 0 H SER B 121 13.417 -6.172 1.114 1.00 0.00 H new ATOM 0 HA SER B 121 13.071 -8.767 0.028 1.00 0.00 H new ATOM 0 HB2 SER B 121 13.812 -6.152 -1.332 1.00 0.00 H new ATOM 0 HB3 SER B 121 12.986 -7.521 -2.049 1.00 0.00 H new ATOM 0 HG SER B 121 11.219 -6.527 -1.410 1.00 0.00 H new ATOM 1765 N HIS B 122 16.008 -7.278 -0.334 1.00 0.00 N ATOM 1766 CA HIS B 122 17.452 -7.411 -0.524 1.00 0.00 C ATOM 1767 C HIS B 122 17.816 -7.688 -1.983 1.00 0.00 C ATOM 1768 O HIS B 122 18.499 -6.889 -2.622 1.00 0.00 O ATOM 1769 CB HIS B 122 18.052 -8.475 0.438 1.00 0.00 C ATOM 1770 CG HIS B 122 19.555 -8.571 0.436 1.00 0.00 C ATOM 1771 ND1 HIS B 122 20.363 -8.033 1.419 1.00 0.00 N ATOM 1772 CD2 HIS B 122 20.391 -9.184 -0.436 1.00 0.00 C ATOM 1773 CE1 HIS B 122 21.630 -8.326 1.122 1.00 0.00 C ATOM 1774 NE2 HIS B 122 21.704 -9.029 -0.003 1.00 0.00 N ATOM 0 H HIS B 122 15.727 -6.317 -0.141 1.00 0.00 H new ATOM 0 HA HIS B 122 17.902 -6.452 -0.269 1.00 0.00 H new ATOM 0 HB2 HIS B 122 17.720 -8.252 1.452 1.00 0.00 H new ATOM 0 HB3 HIS B 122 17.642 -9.450 0.176 1.00 0.00 H new ATOM 0 HD2 HIS B 122 20.086 -9.711 -1.328 1.00 0.00 H new ATOM 0 HE1 HIS B 122 22.482 -8.031 1.717 1.00 0.00 H new ATOM 0 HE2 HIS B 122 22.548 -9.382 -0.455 1.00 0.00 H new ATOM 1782 N SER B 123 17.362 -8.781 -2.503 1.00 0.00 N ATOM 1783 CA SER B 123 17.700 -9.154 -3.828 1.00 0.00 C ATOM 1784 C SER B 123 16.623 -8.729 -4.825 1.00 0.00 C ATOM 1785 O SER B 123 15.772 -9.544 -5.226 1.00 0.00 O ATOM 1786 CB SER B 123 17.993 -10.651 -3.886 1.00 0.00 C ATOM 1787 OG SER B 123 16.908 -11.386 -3.330 1.00 0.00 O ATOM 0 H SER B 123 16.748 -9.436 -2.019 1.00 0.00 H new ATOM 0 HA SER B 123 18.606 -8.624 -4.123 1.00 0.00 H new ATOM 0 HB2 SER B 123 18.158 -10.957 -4.919 1.00 0.00 H new ATOM 0 HB3 SER B 123 18.909 -10.871 -3.338 1.00 0.00 H new ATOM 0 HG SER B 123 16.065 -11.068 -3.717 1.00 0.00 H new ATOM 1793 N ASP B 124 16.623 -7.429 -5.130 1.00 0.00 N ATOM 1794 CA ASP B 124 15.744 -6.807 -6.149 1.00 0.00 C ATOM 1795 C ASP B 124 14.250 -6.812 -5.715 1.00 0.00 C ATOM 1796 O ASP B 124 13.904 -7.316 -4.644 1.00 0.00 O ATOM 1797 CB ASP B 124 15.972 -7.487 -7.534 1.00 0.00 C ATOM 1798 CG ASP B 124 15.317 -6.785 -8.706 1.00 0.00 C ATOM 1799 OD1 ASP B 124 15.009 -5.584 -8.613 1.00 0.00 O ATOM 1800 OD2 ASP B 124 15.110 -7.411 -9.743 1.00 0.00 O ATOM 0 H ASP B 124 17.241 -6.759 -4.673 1.00 0.00 H new ATOM 0 HA ASP B 124 16.015 -5.756 -6.245 1.00 0.00 H new ATOM 0 HB2 ASP B 124 17.044 -7.549 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP B 124 15.597 -8.509 -7.486 1.00 0.00 H new ATOM 1805 N GLY B 125 13.405 -6.214 -6.520 1.00 0.00 N ATOM 1806 CA GLY B 125 11.998 -6.147 -6.248 1.00 0.00 C ATOM 1807 C GLY B 125 11.230 -5.921 -7.526 1.00 0.00 C ATOM 1808 O GLY B 125 11.577 -5.027 -8.303 1.00 0.00 O ATOM 0 H GLY B 125 13.682 -5.757 -7.389 1.00 0.00 H new ATOM 0 HA2 GLY B 125 11.667 -7.072 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY B 125 11.794 -5.339 -5.545 1.00 0.00 H new ATOM 1812 N GLY B 126 10.211 -6.709 -7.759 1.00 0.00 N ATOM 1813 CA GLY B 126 9.469 -6.597 -8.985 1.00 0.00 C ATOM 1814 C GLY B 126 8.019 -7.008 -8.847 1.00 0.00 C ATOM 1815 O GLY B 126 7.700 -8.201 -8.761 1.00 0.00 O ATOM 0 H GLY B 126 9.879 -7.430 -7.119 1.00 0.00 H new ATOM 0 HA2 GLY B 126 9.515 -5.566 -9.337 1.00 0.00 H new ATOM 0 HA3 GLY B 126 9.944 -7.215 -9.747 1.00 0.00 H new ATOM 1819 N GLY B 127 7.154 -6.032 -8.799 1.00 0.00 N ATOM 1820 CA GLY B 127 5.726 -6.259 -8.763 1.00 0.00 C ATOM 1821 C GLY B 127 5.056 -5.326 -9.740 1.00 0.00 C ATOM 1822 O GLY B 127 5.575 -4.229 -9.981 1.00 0.00 O ATOM 0 H GLY B 127 7.418 -5.047 -8.783 1.00 0.00 H new ATOM 0 HA2 GLY B 127 5.503 -7.295 -9.018 1.00 0.00 H new ATOM 0 HA3 GLY B 127 5.343 -6.089 -7.757 1.00 0.00 H new ATOM 1826 N SER B 128 3.943 -5.732 -10.316 1.00 0.00 N ATOM 1827 CA SER B 128 3.271 -4.915 -11.314 1.00 0.00 C ATOM 1828 C SER B 128 1.751 -4.978 -11.160 1.00 0.00 C ATOM 1829 O SER B 128 1.219 -5.738 -10.341 1.00 0.00 O ATOM 1830 CB SER B 128 3.662 -5.381 -12.724 1.00 0.00 C ATOM 1831 OG SER B 128 5.072 -5.333 -12.924 1.00 0.00 O ATOM 0 H SER B 128 3.483 -6.620 -10.113 1.00 0.00 H new ATOM 0 HA SER B 128 3.587 -3.883 -11.164 1.00 0.00 H new ATOM 0 HB2 SER B 128 3.307 -6.399 -12.882 1.00 0.00 H new ATOM 0 HB3 SER B 128 3.168 -4.752 -13.465 1.00 0.00 H new ATOM 0 HG SER B 128 5.284 -5.638 -13.831 1.00 0.00 H new ATOM 1837 N GLY B 129 1.072 -4.164 -11.929 1.00 0.00 N ATOM 1838 CA GLY B 129 -0.362 -4.137 -11.965 1.00 0.00 C ATOM 1839 C GLY B 129 -0.812 -3.562 -13.283 1.00 0.00 C ATOM 1840 O GLY B 129 -0.314 -2.509 -13.697 1.00 0.00 O ATOM 0 H GLY B 129 1.512 -3.491 -12.557 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -0.760 -5.144 -11.839 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -0.747 -3.536 -11.141 1.00 0.00 H new ATOM 1844 N GLY B 130 -1.709 -4.225 -13.954 1.00 0.00 N ATOM 1845 CA GLY B 130 -2.116 -3.769 -15.259 1.00 0.00 C ATOM 1846 C GLY B 130 -3.504 -3.189 -15.264 1.00 0.00 C ATOM 1847 O GLY B 130 -4.081 -2.931 -14.202 1.00 0.00 O ATOM 0 H GLY B 130 -2.170 -5.074 -13.627 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -1.411 -3.017 -15.613 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -2.072 -4.602 -15.961 1.00 0.00 H new ATOM 1851 N GLY B 131 -4.024 -2.976 -16.449 1.00 0.00 N ATOM 1852 CA GLY B 131 -5.347 -2.453 -16.627 1.00 0.00 C ATOM 1853 C GLY B 131 -6.163 -3.381 -17.496 1.00 0.00 C ATOM 1854 O GLY B 131 -5.637 -4.397 -17.973 1.00 0.00 O ATOM 0 H GLY B 131 -3.531 -3.164 -17.322 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -5.831 -2.331 -15.658 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -5.297 -1.465 -17.085 1.00 0.00 H new ATOM 1858 N SER B 132 -7.417 -3.041 -17.723 1.00 0.00 N ATOM 1859 CA SER B 132 -8.337 -3.849 -18.506 1.00 0.00 C ATOM 1860 C SER B 132 -9.675 -3.109 -18.575 1.00 0.00 C ATOM 1861 O SER B 132 -9.980 -2.466 -19.578 1.00 0.00 O ATOM 1862 CB SER B 132 -8.508 -5.271 -17.895 1.00 0.00 C ATOM 1863 OG SER B 132 -9.277 -6.126 -18.732 1.00 0.00 O ATOM 0 H SER B 132 -7.834 -2.182 -17.364 1.00 0.00 H new ATOM 0 HA SER B 132 -7.939 -3.992 -19.511 1.00 0.00 H new ATOM 0 HB2 SER B 132 -7.526 -5.714 -17.730 1.00 0.00 H new ATOM 0 HB3 SER B 132 -8.989 -5.190 -16.920 1.00 0.00 H new ATOM 0 HG SER B 132 -9.358 -7.008 -18.312 1.00 0.00 H new ATOM 1869 N GLY B 133 -10.439 -3.162 -17.505 1.00 0.00 N ATOM 1870 CA GLY B 133 -11.658 -2.414 -17.437 1.00 0.00 C ATOM 1871 C GLY B 133 -11.514 -1.329 -16.416 1.00 0.00 C ATOM 1872 O GLY B 133 -10.634 -1.413 -15.545 1.00 0.00 O ATOM 0 H GLY B 133 -10.231 -3.717 -16.675 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -11.890 -1.984 -18.412 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -12.487 -3.070 -17.173 1.00 0.00 H new ATOM 1876 N GLY B 134 -12.321 -0.316 -16.499 1.00 0.00 N ATOM 1877 CA GLY B 134 -12.210 0.759 -15.570 1.00 0.00 C ATOM 1878 C GLY B 134 -13.438 1.614 -15.527 1.00 0.00 C ATOM 1879 O GLY B 134 -13.638 2.453 -16.390 1.00 0.00 O ATOM 0 H GLY B 134 -13.058 -0.214 -17.197 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -12.018 0.356 -14.576 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -11.352 1.376 -15.835 1.00 0.00 H new ATOM 1883 N GLY B 135 -14.266 1.386 -14.544 1.00 0.00 N ATOM 1884 CA GLY B 135 -15.460 2.191 -14.372 1.00 0.00 C ATOM 1885 C GLY B 135 -15.981 2.113 -12.958 1.00 0.00 C ATOM 1886 O GLY B 135 -17.135 2.475 -12.674 1.00 0.00 O ATOM 0 H GLY B 135 -14.142 0.652 -13.847 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -15.240 3.229 -14.623 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -16.231 1.853 -15.064 1.00 0.00 H new ATOM 1890 N SER B 136 -15.132 1.655 -12.065 1.00 0.00 N ATOM 1891 CA SER B 136 -15.471 1.447 -10.687 1.00 0.00 C ATOM 1892 C SER B 136 -14.194 1.224 -9.924 1.00 0.00 C ATOM 1893 O SER B 136 -13.142 1.020 -10.537 1.00 0.00 O ATOM 1894 CB SER B 136 -16.392 0.214 -10.579 1.00 0.00 C ATOM 1895 OG SER B 136 -16.613 -0.222 -9.238 1.00 0.00 O ATOM 0 H SER B 136 -14.167 1.413 -12.288 1.00 0.00 H new ATOM 0 HA SER B 136 -15.996 2.309 -10.275 1.00 0.00 H new ATOM 0 HB2 SER B 136 -17.352 0.448 -11.039 1.00 0.00 H new ATOM 0 HB3 SER B 136 -15.956 -0.605 -11.151 1.00 0.00 H new ATOM 0 HG SER B 136 -17.324 -0.896 -9.226 1.00 0.00 H new ATOM 1901 N LEU B 137 -14.254 1.298 -8.617 1.00 0.00 N ATOM 1902 CA LEU B 137 -13.097 0.982 -7.841 1.00 0.00 C ATOM 1903 C LEU B 137 -13.138 -0.484 -7.423 1.00 0.00 C ATOM 1904 O LEU B 137 -12.174 -1.164 -7.528 1.00 0.00 O ATOM 1905 CB LEU B 137 -12.880 1.910 -6.606 1.00 0.00 C ATOM 1906 CG LEU B 137 -13.811 1.756 -5.379 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -13.242 2.520 -4.201 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -15.219 2.247 -5.667 1.00 0.00 C ATOM 0 H LEU B 137 -15.079 1.570 -8.083 1.00 0.00 H new ATOM 0 HA LEU B 137 -12.236 1.161 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -11.856 1.766 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -12.958 2.941 -6.951 1.00 0.00 H new ATOM 0 HG LEU B 137 -13.868 0.693 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -13.902 2.407 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -12.255 2.127 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -13.158 3.576 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -15.838 2.120 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -15.188 3.302 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -15.644 1.672 -6.490 1.00 0.00 H new ATOM 1920 N GLU B 138 -14.263 -0.949 -6.920 1.00 0.00 N ATOM 1921 CA GLU B 138 -14.349 -2.326 -6.461 1.00 0.00 C ATOM 1922 C GLU B 138 -14.686 -3.379 -7.520 1.00 0.00 C ATOM 1923 O GLU B 138 -14.290 -4.531 -7.383 1.00 0.00 O ATOM 1924 CB GLU B 138 -15.163 -2.478 -5.182 1.00 0.00 C ATOM 1925 CG GLU B 138 -16.539 -1.860 -5.201 1.00 0.00 C ATOM 1926 CD GLU B 138 -17.272 -2.117 -3.907 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -16.616 -2.311 -2.864 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -18.521 -2.187 -3.927 1.00 0.00 O ATOM 0 H GLU B 138 -15.120 -0.406 -6.818 1.00 0.00 H new ATOM 0 HA GLU B 138 -13.315 -2.563 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -15.266 -3.541 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -14.599 -2.037 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -16.456 -0.786 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -17.112 -2.268 -6.034 1.00 0.00 H new ATOM 1935 N CYS B 139 -15.414 -3.016 -8.560 1.00 0.00 N ATOM 1936 CA CYS B 139 -15.836 -4.036 -9.521 1.00 0.00 C ATOM 1937 C CYS B 139 -14.973 -4.060 -10.780 1.00 0.00 C ATOM 1938 O CYS B 139 -14.301 -5.052 -11.071 1.00 0.00 O ATOM 1939 CB CYS B 139 -17.309 -3.828 -9.888 1.00 0.00 C ATOM 1940 SG CYS B 139 -17.942 -4.956 -11.149 1.00 0.00 S ATOM 0 H CYS B 139 -15.719 -2.064 -8.763 1.00 0.00 H new ATOM 0 HA CYS B 139 -15.708 -5.005 -9.038 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -17.912 -3.937 -8.987 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -17.441 -2.804 -10.237 1.00 0.00 H new ATOM 0 HG CYS B 139 -17.832 -4.403 -12.320 1.00 0.00 H new ATOM 1946 N ASP B 140 -14.961 -2.976 -11.500 1.00 0.00 N ATOM 1947 CA ASP B 140 -14.201 -2.883 -12.742 1.00 0.00 C ATOM 1948 C ASP B 140 -13.161 -1.856 -12.539 1.00 0.00 C ATOM 1949 O ASP B 140 -13.355 -0.676 -12.849 1.00 0.00 O ATOM 1950 CB ASP B 140 -15.105 -2.535 -13.935 1.00 0.00 C ATOM 1951 CG ASP B 140 -16.163 -3.585 -14.173 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -15.883 -4.572 -14.874 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -17.286 -3.463 -13.634 1.00 0.00 O ATOM 0 H ASP B 140 -15.471 -2.127 -11.256 1.00 0.00 H new ATOM 0 HA ASP B 140 -13.748 -3.845 -12.980 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -15.584 -1.572 -13.757 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -14.495 -2.426 -14.832 1.00 0.00 H new ATOM 1958 N MET B 141 -12.102 -2.291 -11.940 1.00 0.00 N ATOM 1959 CA MET B 141 -11.110 -1.406 -11.414 1.00 0.00 C ATOM 1960 C MET B 141 -9.868 -1.282 -12.235 1.00 0.00 C ATOM 1961 O MET B 141 -9.377 -0.215 -12.355 1.00 0.00 O ATOM 1962 CB MET B 141 -10.768 -1.798 -9.983 1.00 0.00 C ATOM 1963 CG MET B 141 -10.130 -3.174 -9.801 1.00 0.00 C ATOM 1964 SD MET B 141 -10.118 -3.721 -8.078 1.00 0.00 S ATOM 1965 CE MET B 141 -9.282 -2.353 -7.287 1.00 0.00 C ATOM 0 H MET B 141 -11.897 -3.280 -11.799 1.00 0.00 H new ATOM 0 HA MET B 141 -11.562 -0.415 -11.442 1.00 0.00 H new ATOM 0 HB2 MET B 141 -10.091 -1.048 -9.574 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.681 -1.761 -9.389 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.671 -3.903 -10.405 1.00 0.00 H new ATOM 0 HG3 MET B 141 -9.107 -3.147 -10.176 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.120 -2.585 -6.234 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.321 -2.184 -7.773 1.00 0.00 H new ATOM 0 HE3 MET B 141 -9.894 -1.455 -7.371 1.00 0.00 H new ATOM 1975 N GLU B 142 -9.429 -2.373 -12.828 1.00 0.00 N ATOM 1976 CA GLU B 142 -8.095 -2.549 -13.476 1.00 0.00 C ATOM 1977 C GLU B 142 -7.426 -1.255 -14.022 1.00 0.00 C ATOM 1978 O GLU B 142 -6.348 -0.863 -13.567 1.00 0.00 O ATOM 1979 CB GLU B 142 -8.142 -3.606 -14.580 1.00 0.00 C ATOM 1980 CG GLU B 142 -8.765 -4.935 -14.194 1.00 0.00 C ATOM 1981 CD GLU B 142 -10.269 -4.882 -14.157 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -10.889 -5.047 -15.215 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -10.846 -4.673 -13.071 1.00 0.00 O ATOM 0 H GLU B 142 -10.001 -3.215 -12.888 1.00 0.00 H new ATOM 0 HA GLU B 142 -7.460 -2.881 -12.655 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -8.697 -3.198 -15.425 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -7.125 -3.789 -14.925 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -8.450 -5.699 -14.904 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -8.392 -5.236 -13.215 1.00 0.00 H new ATOM 1990 N SER B 143 -8.059 -0.598 -14.953 1.00 0.00 N ATOM 1991 CA SER B 143 -7.481 0.585 -15.553 1.00 0.00 C ATOM 1992 C SER B 143 -7.476 1.780 -14.570 1.00 0.00 C ATOM 1993 O SER B 143 -6.485 2.530 -14.482 1.00 0.00 O ATOM 1994 CB SER B 143 -8.225 0.897 -16.834 1.00 0.00 C ATOM 1995 OG SER B 143 -8.195 -0.243 -17.698 1.00 0.00 O ATOM 0 H SER B 143 -8.976 -0.857 -15.317 1.00 0.00 H new ATOM 0 HA SER B 143 -6.435 0.396 -15.793 1.00 0.00 H new ATOM 0 HB2 SER B 143 -9.257 1.169 -16.610 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.770 1.754 -17.331 1.00 0.00 H new ATOM 0 HG SER B 143 -8.679 -0.039 -18.526 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.541 1.891 -13.792 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.701 2.949 -12.798 1.00 0.00 C ATOM 2003 C ILE B 144 -7.702 2.734 -11.675 1.00 0.00 C ATOM 2004 O ILE B 144 -6.990 3.656 -11.291 1.00 0.00 O ATOM 2005 CB ILE B 144 -10.148 2.953 -12.189 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -11.211 3.187 -13.269 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.293 3.980 -11.061 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -11.085 4.503 -14.008 1.00 0.00 C ATOM 0 H ILE B 144 -9.329 1.244 -13.831 1.00 0.00 H new ATOM 0 HA ILE B 144 -8.530 3.905 -13.293 1.00 0.00 H new ATOM 0 HB ILE B 144 -10.309 1.964 -11.760 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -11.159 2.373 -13.993 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -12.196 3.139 -12.806 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -11.310 3.949 -10.669 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.589 3.746 -10.263 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -10.084 4.977 -11.448 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -11.878 4.580 -14.751 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -11.170 5.327 -13.300 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -10.116 4.550 -14.505 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.629 1.499 -11.185 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.747 1.157 -10.091 1.00 0.00 C ATOM 2022 C ILE B 145 -5.306 1.399 -10.483 1.00 0.00 C ATOM 2023 O ILE B 145 -4.557 1.911 -9.706 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.959 -0.307 -9.522 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -6.054 -0.602 -8.324 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.745 -1.368 -10.561 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -6.387 0.162 -7.079 1.00 0.00 C ATOM 0 H ILE B 145 -8.180 0.716 -11.538 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.009 1.819 -9.266 1.00 0.00 H new ATOM 0 HB ILE B 145 -8.000 -0.335 -9.200 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -6.104 -1.668 -8.103 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -5.023 -0.383 -8.603 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.903 -2.350 -10.116 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.450 -1.223 -11.380 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.726 -1.303 -10.943 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.692 -0.114 -6.286 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.307 1.231 -7.276 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.405 -0.075 -6.768 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.931 1.093 -11.715 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.568 1.357 -12.107 1.00 0.00 C ATOM 2041 C ARG B 146 -3.283 2.870 -12.111 1.00 0.00 C ATOM 2042 O ARG B 146 -2.326 3.320 -11.488 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.194 0.724 -13.456 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.735 0.969 -13.801 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.308 0.378 -15.130 1.00 0.00 C ATOM 2046 NE ARG B 146 0.076 0.779 -15.416 1.00 0.00 N ATOM 2047 CZ ARG B 146 1.010 0.070 -16.053 1.00 0.00 C ATOM 2048 NH1 ARG B 146 0.713 -1.093 -16.615 1.00 0.00 N ATOM 2049 NH2 ARG B 146 2.246 0.561 -16.149 1.00 0.00 N ATOM 0 H ARG B 146 -5.528 0.678 -12.431 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.934 0.881 -11.359 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.386 -0.348 -13.421 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.829 1.136 -14.241 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.552 2.043 -13.817 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -1.110 0.551 -13.012 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -1.385 -0.709 -15.100 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.970 0.723 -15.924 1.00 0.00 H new ATOM 0 HE ARG B 146 0.355 1.705 -15.091 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -0.239 -1.456 -16.564 1.00 0.00 H new ATOM 0 HH12 ARG B 146 1.436 -1.625 -17.099 1.00 0.00 H new ATOM 0 HH21 ARG B 146 2.468 1.468 -15.738 1.00 0.00 H new ATOM 0 HH22 ARG B 146 2.970 0.030 -16.633 1.00 0.00 H new ATOM 2063 N SER B 147 -4.152 3.645 -12.752 1.00 0.00 N ATOM 2064 CA SER B 147 -3.953 5.085 -12.879 1.00 0.00 C ATOM 2065 C SER B 147 -4.027 5.839 -11.527 1.00 0.00 C ATOM 2066 O SER B 147 -3.173 6.686 -11.239 1.00 0.00 O ATOM 2067 CB SER B 147 -4.962 5.656 -13.874 1.00 0.00 C ATOM 2068 OG SER B 147 -4.859 4.983 -15.126 1.00 0.00 O ATOM 0 H SER B 147 -5.004 3.299 -13.193 1.00 0.00 H new ATOM 0 HA SER B 147 -2.939 5.237 -13.249 1.00 0.00 H new ATOM 0 HB2 SER B 147 -5.972 5.550 -13.479 1.00 0.00 H new ATOM 0 HB3 SER B 147 -4.784 6.723 -14.011 1.00 0.00 H new ATOM 0 HG SER B 147 -5.350 4.136 -15.083 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.012 5.518 -10.706 1.00 0.00 N ATOM 2075 CA GLU B 148 -5.211 6.235 -9.454 1.00 0.00 C ATOM 2076 C GLU B 148 -4.226 5.784 -8.389 1.00 0.00 C ATOM 2077 O GLU B 148 -3.698 6.605 -7.634 1.00 0.00 O ATOM 2078 CB GLU B 148 -6.633 6.028 -8.911 1.00 0.00 C ATOM 2079 CG GLU B 148 -7.755 6.428 -9.853 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.687 7.865 -10.270 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -8.018 8.750 -9.456 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -7.330 8.135 -11.422 1.00 0.00 O ATOM 0 H GLU B 148 -5.684 4.771 -10.880 1.00 0.00 H new ATOM 0 HA GLU B 148 -5.050 7.290 -9.677 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.756 4.976 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.737 6.597 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -7.719 5.796 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -8.713 6.242 -9.368 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.980 4.495 -8.337 1.00 0.00 N ATOM 2090 CA LEU B 149 -3.183 3.918 -7.284 1.00 0.00 C ATOM 2091 C LEU B 149 -1.688 4.120 -7.542 1.00 0.00 C ATOM 2092 O LEU B 149 -0.982 4.610 -6.664 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.594 2.433 -7.104 1.00 0.00 C ATOM 2094 CG LEU B 149 -3.116 1.610 -5.900 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -1.643 1.334 -5.941 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -3.526 2.259 -4.590 1.00 0.00 C ATOM 0 H LEU B 149 -4.326 3.822 -9.021 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.374 4.430 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.684 2.405 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.269 1.903 -7.999 1.00 0.00 H new ATOM 0 HG LEU B 149 -3.614 0.642 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -1.358 0.749 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -1.403 0.775 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -1.096 2.277 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -3.172 1.652 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -3.088 3.255 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -4.612 2.337 -4.547 1.00 0.00 H new ATOM 2108 N MET B 150 -1.188 3.778 -8.728 1.00 0.00 N ATOM 2109 CA MET B 150 0.234 3.944 -8.940 1.00 0.00 C ATOM 2110 C MET B 150 0.631 4.256 -10.398 1.00 0.00 C ATOM 2111 O MET B 150 0.946 3.372 -11.214 1.00 0.00 O ATOM 2112 CB MET B 150 1.094 2.803 -8.302 1.00 0.00 C ATOM 2113 CG MET B 150 1.075 1.449 -9.030 1.00 0.00 C ATOM 2114 SD MET B 150 -0.549 0.672 -9.173 1.00 0.00 S ATOM 2115 CE MET B 150 -0.170 -0.557 -10.405 1.00 0.00 C ATOM 0 H MET B 150 -1.719 3.404 -9.515 1.00 0.00 H new ATOM 0 HA MET B 150 0.482 4.851 -8.388 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.127 3.145 -8.243 1.00 0.00 H new ATOM 0 HB3 MET B 150 0.751 2.647 -7.279 1.00 0.00 H new ATOM 0 HG2 MET B 150 1.482 1.588 -10.031 1.00 0.00 H new ATOM 0 HG3 MET B 150 1.742 0.764 -8.506 1.00 0.00 H new ATOM 0 HE1 MET B 150 -1.090 -1.045 -10.727 1.00 0.00 H new ATOM 0 HE2 MET B 150 0.306 -0.079 -11.261 1.00 0.00 H new ATOM 0 HE3 MET B 150 0.506 -1.300 -9.982 1.00 0.00 H new ATOM 2125 N ASP B 151 0.533 5.527 -10.714 1.00 0.00 N ATOM 2126 CA ASP B 151 1.046 6.133 -11.961 1.00 0.00 C ATOM 2127 C ASP B 151 0.213 5.874 -13.204 1.00 0.00 C ATOM 2128 O ASP B 151 -0.441 4.837 -13.360 1.00 0.00 O ATOM 2129 CB ASP B 151 2.533 5.795 -12.230 1.00 0.00 C ATOM 2130 CG ASP B 151 3.483 6.390 -11.218 1.00 0.00 C ATOM 2131 OD1 ASP B 151 3.689 7.612 -11.240 1.00 0.00 O ATOM 2132 OD2 ASP B 151 4.072 5.648 -10.398 1.00 0.00 O ATOM 0 H ASP B 151 0.082 6.206 -10.101 1.00 0.00 H new ATOM 0 HA ASP B 151 0.959 7.201 -11.762 1.00 0.00 H new ATOM 0 HB2 ASP B 151 2.655 4.712 -12.237 1.00 0.00 H new ATOM 0 HB3 ASP B 151 2.804 6.152 -13.224 1.00 0.00 H new ATOM 2137 N ALA B 152 0.263 6.833 -14.100 1.00 0.00 N ATOM 2138 CA ALA B 152 -0.404 6.754 -15.370 1.00 0.00 C ATOM 2139 C ALA B 152 0.431 5.894 -16.292 1.00 0.00 C ATOM 2140 O ALA B 152 0.098 4.718 -16.489 1.00 0.00 O ATOM 2141 CB ALA B 152 -0.585 8.147 -15.956 1.00 0.00 C ATOM 2142 OXT ALA B 152 1.499 6.363 -16.744 1.00 0.00 O ATOM 0 H ALA B 152 0.778 7.702 -13.960 1.00 0.00 H new ATOM 0 HA ALA B 152 -1.393 6.312 -15.248 1.00 0.00 H new ATOM 0 HB1 ALA B 152 -1.092 8.074 -16.918 1.00 0.00 H new ATOM 0 HB2 ALA B 152 -1.184 8.753 -15.276 1.00 0.00 H new ATOM 0 HB3 ALA B 152 0.391 8.613 -16.094 1.00 0.00 H new TER 2148 ALA B 152