USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 947 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 119 GLN : amide:sc= -1.74! K(o=-5.4!,f=-1.4) USER MOD Set 1.2: A 123 GLN : amide:sc= -3.7! K(o=-5.4!,f=-0.81) USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.0206 USER MOD Set 2.2: A 112 GLN : amide:sc= 0.0973 K(o=0.12,f=-0.8) USER MOD Set 3.1: A 98 GLN : amide:sc= -0.182 K(o=0.4,f=-0.49) USER MOD Set 3.2: A 101 THR OG1 : rot -36:sc= 0.585 USER MOD Set 4.1: A 68 TYR OH : rot 30:sc= 0.525 USER MOD Set 4.2: A 94 LYS NZ :NH3+ 163:sc= 2.42 (180deg=1.61) USER MOD Single : A 20 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.34) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 26 GLN : amide:sc= -0.114 K(o=-0.11,f=0.51) USER MOD Single : A 27 GLN : amide:sc= 0.738 K(o=0.74,f=-0.018) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00245 X(o=-0.0024,f=-0.0024) USER MOD Single : A 44 ASN : amide:sc= 0.558 K(o=0.56,f=-3.1!) USER MOD Single : A 48 ASN : amide:sc= 0.454 X(o=0.45,f=-0.036) USER MOD Single : A 49 GLN : amide:sc= 0.374 X(o=0.37,f=0) USER MOD Single : A 52 TYR OH : rot 120:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 142:sc= 0.381 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 80 THR OG1 : rot 180:sc=-0.000134 USER MOD Single : A 85 LYS NZ :NH3+ -178:sc= 2.38 (180deg=2.3) USER MOD Single : A 89 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.33) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -138:sc= 0.62 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -4.29! K(o=-4.3!,f=-0.48) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.468 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.275 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= -0.303 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -2.774 -18.520 3.813 1.00 0.00 N ATOM 2 CA GLY A 19 -3.891 -18.222 2.908 1.00 0.00 C ATOM 3 C GLY A 19 -5.189 -18.224 3.689 1.00 0.00 C ATOM 4 O GLY A 19 -5.297 -17.471 4.653 1.00 0.00 O ATOM 0 HA2 GLY A 19 -3.741 -17.252 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.934 -18.963 2.110 1.00 0.00 H new ATOM 8 N HIS A 20 -6.179 -19.037 3.289 1.00 0.00 N ATOM 9 CA HIS A 20 -7.512 -19.148 3.908 1.00 0.00 C ATOM 10 C HIS A 20 -8.168 -17.785 4.237 1.00 0.00 C ATOM 11 O HIS A 20 -8.982 -17.666 5.155 1.00 0.00 O ATOM 12 CB HIS A 20 -7.473 -20.166 5.071 1.00 0.00 C ATOM 13 CG HIS A 20 -6.381 -19.963 6.094 1.00 0.00 C ATOM 14 ND1 HIS A 20 -5.142 -20.571 6.100 1.00 0.00 N ATOM 15 CD2 HIS A 20 -6.447 -19.138 7.181 1.00 0.00 C ATOM 16 CE1 HIS A 20 -4.469 -20.102 7.164 1.00 0.00 C ATOM 17 NE2 HIS A 20 -5.227 -19.240 7.864 1.00 0.00 N ATOM 0 H HIS A 20 -6.069 -19.663 2.491 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.201 -19.553 3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.434 -20.137 5.585 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.367 -21.165 4.649 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.286 -18.520 7.463 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.458 -20.379 7.422 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.966 -18.756 8.723 1.00 0.00 H new ATOM 25 N MET A 21 -7.822 -16.745 3.468 1.00 0.00 N ATOM 26 CA MET A 21 -8.062 -15.334 3.762 1.00 0.00 C ATOM 27 C MET A 21 -9.338 -14.844 3.071 1.00 0.00 C ATOM 28 O MET A 21 -10.185 -15.652 2.676 1.00 0.00 O ATOM 29 CB MET A 21 -6.800 -14.509 3.427 1.00 0.00 C ATOM 30 CG MET A 21 -6.457 -14.377 1.937 1.00 0.00 C ATOM 31 SD MET A 21 -4.947 -13.409 1.650 1.00 0.00 S ATOM 32 CE MET A 21 -5.210 -12.871 -0.059 1.00 0.00 C ATOM 0 H MET A 21 -7.342 -16.876 2.578 1.00 0.00 H new ATOM 0 HA MET A 21 -8.244 -15.197 4.828 1.00 0.00 H new ATOM 0 HB2 MET A 21 -6.924 -13.508 3.841 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.949 -14.961 3.936 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.334 -15.371 1.507 1.00 0.00 H new ATOM 0 HG3 MET A 21 -7.291 -13.906 1.417 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.365 -12.264 -0.383 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.299 -13.744 -0.706 1.00 0.00 H new ATOM 0 HE3 MET A 21 -6.125 -12.281 -0.118 1.00 0.00 H new ATOM 42 N LYS A 22 -9.532 -13.529 2.971 1.00 0.00 N ATOM 43 CA LYS A 22 -10.453 -12.888 2.036 1.00 0.00 C ATOM 44 C LYS A 22 -9.685 -11.752 1.353 1.00 0.00 C ATOM 45 O LYS A 22 -8.517 -11.506 1.676 1.00 0.00 O ATOM 46 CB LYS A 22 -11.694 -12.333 2.757 1.00 0.00 C ATOM 47 CG LYS A 22 -12.514 -13.368 3.539 1.00 0.00 C ATOM 48 CD LYS A 22 -13.553 -12.675 4.427 1.00 0.00 C ATOM 49 CE LYS A 22 -14.638 -11.952 3.624 1.00 0.00 C ATOM 50 NZ LYS A 22 -15.422 -11.030 4.468 1.00 0.00 N ATOM 0 H LYS A 22 -9.035 -12.860 3.559 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.810 -13.616 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.375 -11.551 3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.343 -11.862 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.014 -14.043 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.850 -13.976 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.021 -13.416 5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.049 -11.958 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.176 -11.395 2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.305 -12.686 3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.146 -10.560 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.883 -11.565 5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.790 -10.314 4.880 1.00 0.00 H new ATOM 64 N PHE A 23 -10.367 -11.021 0.467 1.00 0.00 N ATOM 65 CA PHE A 23 -9.822 -9.955 -0.369 1.00 0.00 C ATOM 66 C PHE A 23 -8.681 -10.525 -1.237 1.00 0.00 C ATOM 67 O PHE A 23 -8.453 -11.738 -1.277 1.00 0.00 O ATOM 68 CB PHE A 23 -9.465 -8.708 0.479 1.00 0.00 C ATOM 69 CG PHE A 23 -10.616 -7.779 0.855 1.00 0.00 C ATOM 70 CD1 PHE A 23 -11.919 -8.267 1.085 1.00 0.00 C ATOM 71 CD2 PHE A 23 -10.386 -6.390 0.947 1.00 0.00 C ATOM 72 CE1 PHE A 23 -12.973 -7.382 1.361 1.00 0.00 C ATOM 73 CE2 PHE A 23 -11.440 -5.505 1.244 1.00 0.00 C ATOM 74 CZ PHE A 23 -12.739 -6.000 1.446 1.00 0.00 C ATOM 0 H PHE A 23 -11.364 -11.166 0.308 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.571 -9.585 -1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.988 -9.048 1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.724 -8.126 -0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.107 -9.330 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.391 -6.002 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.971 -7.767 1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.250 -4.444 1.317 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.551 -5.323 1.665 1.00 0.00 H new ATOM 84 N THR A 24 -7.976 -9.667 -1.962 1.00 0.00 N ATOM 85 CA THR A 24 -6.731 -9.973 -2.644 1.00 0.00 C ATOM 86 C THR A 24 -5.735 -8.871 -2.287 1.00 0.00 C ATOM 87 O THR A 24 -6.122 -7.740 -1.995 1.00 0.00 O ATOM 88 CB THR A 24 -6.973 -10.086 -4.159 1.00 0.00 C ATOM 89 OG1 THR A 24 -7.914 -9.143 -4.611 1.00 0.00 O ATOM 90 CG2 THR A 24 -7.492 -11.472 -4.535 1.00 0.00 C ATOM 0 H THR A 24 -8.270 -8.699 -2.095 1.00 0.00 H new ATOM 0 HA THR A 24 -6.325 -10.934 -2.329 1.00 0.00 H new ATOM 0 HB THR A 24 -6.009 -9.900 -4.632 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.040 -9.244 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.653 -11.520 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.761 -12.226 -4.243 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.433 -11.661 -4.018 1.00 0.00 H new ATOM 98 N ASP A 25 -4.444 -9.191 -2.303 1.00 0.00 N ATOM 99 CA ASP A 25 -3.367 -8.302 -1.864 1.00 0.00 C ATOM 100 C ASP A 25 -3.383 -7.021 -2.696 1.00 0.00 C ATOM 101 O ASP A 25 -3.332 -5.927 -2.139 1.00 0.00 O ATOM 102 CB ASP A 25 -2.006 -9.004 -1.963 1.00 0.00 C ATOM 103 CG ASP A 25 -1.954 -10.292 -1.147 1.00 0.00 C ATOM 104 OD1 ASP A 25 -1.821 -10.219 0.090 1.00 0.00 O ATOM 105 OD2 ASP A 25 -2.096 -11.374 -1.777 1.00 0.00 O ATOM 0 H ASP A 25 -4.107 -10.097 -2.629 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.529 -8.042 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.792 -9.230 -3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.225 -8.327 -1.617 1.00 0.00 H new ATOM 110 N GLN A 26 -3.574 -7.161 -4.014 1.00 0.00 N ATOM 111 CA GLN A 26 -3.774 -6.075 -4.975 1.00 0.00 C ATOM 112 C GLN A 26 -4.771 -5.028 -4.460 1.00 0.00 C ATOM 113 O GLN A 26 -4.517 -3.828 -4.557 1.00 0.00 O ATOM 114 CB GLN A 26 -4.301 -6.685 -6.290 1.00 0.00 C ATOM 115 CG GLN A 26 -3.212 -7.271 -7.205 1.00 0.00 C ATOM 116 CD GLN A 26 -2.859 -6.424 -8.430 1.00 0.00 C ATOM 117 OE1 GLN A 26 -1.692 -6.268 -8.757 1.00 0.00 O ATOM 118 NE2 GLN A 26 -3.832 -5.965 -9.207 1.00 0.00 N ATOM 0 H GLN A 26 -3.594 -8.079 -4.458 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.822 -5.568 -5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.017 -7.471 -6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.844 -5.916 -6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.308 -7.421 -6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.537 -8.254 -7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.806 -6.095 -8.935 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.605 -5.482 -10.077 1.00 0.00 H new ATOM 127 N GLN A 27 -5.918 -5.486 -3.949 1.00 0.00 N ATOM 128 CA GLN A 27 -7.030 -4.645 -3.520 1.00 0.00 C ATOM 129 C GLN A 27 -6.727 -3.929 -2.201 1.00 0.00 C ATOM 130 O GLN A 27 -7.293 -2.870 -1.921 1.00 0.00 O ATOM 131 CB GLN A 27 -8.268 -5.531 -3.327 1.00 0.00 C ATOM 132 CG GLN A 27 -8.778 -6.217 -4.607 1.00 0.00 C ATOM 133 CD GLN A 27 -9.694 -5.341 -5.453 1.00 0.00 C ATOM 134 OE1 GLN A 27 -10.721 -4.861 -4.970 1.00 0.00 O ATOM 135 NE2 GLN A 27 -9.365 -5.150 -6.719 1.00 0.00 N ATOM 0 H GLN A 27 -6.100 -6.481 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.199 -3.887 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.036 -6.298 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.072 -4.922 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.923 -6.521 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.313 -7.126 -4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.508 -5.560 -7.091 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.968 -4.593 -7.324 1.00 0.00 H new ATOM 144 N ILE A 28 -5.890 -4.541 -1.365 1.00 0.00 N ATOM 145 CA ILE A 28 -5.539 -4.063 -0.036 1.00 0.00 C ATOM 146 C ILE A 28 -4.423 -3.017 -0.130 1.00 0.00 C ATOM 147 O ILE A 28 -4.416 -2.076 0.664 1.00 0.00 O ATOM 148 CB ILE A 28 -5.154 -5.274 0.846 1.00 0.00 C ATOM 149 CG1 ILE A 28 -6.350 -6.250 0.984 1.00 0.00 C ATOM 150 CG2 ILE A 28 -4.681 -4.825 2.240 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.951 -7.641 1.489 1.00 0.00 C ATOM 0 H ILE A 28 -5.423 -5.415 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.390 -3.567 0.431 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.329 -5.789 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.082 -5.820 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.840 -6.351 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.418 -5.700 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.808 -4.180 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.481 -4.276 2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.838 -8.270 1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.242 -8.091 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.488 -7.552 2.472 1.00 0.00 H new ATOM 163 N GLY A 29 -3.493 -3.146 -1.080 1.00 0.00 N ATOM 164 CA GLY A 29 -2.352 -2.242 -1.155 1.00 0.00 C ATOM 165 C GLY A 29 -2.774 -0.809 -1.407 1.00 0.00 C ATOM 166 O GLY A 29 -2.191 0.106 -0.827 1.00 0.00 O ATOM 0 H GLY A 29 -3.511 -3.865 -1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.787 -2.294 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.684 -2.568 -1.952 1.00 0.00 H new ATOM 170 N VAL A 30 -3.813 -0.607 -2.220 1.00 0.00 N ATOM 171 CA VAL A 30 -4.385 0.710 -2.462 1.00 0.00 C ATOM 172 C VAL A 30 -4.814 1.344 -1.139 1.00 0.00 C ATOM 173 O VAL A 30 -4.457 2.488 -0.886 1.00 0.00 O ATOM 174 CB VAL A 30 -5.528 0.597 -3.485 1.00 0.00 C ATOM 175 CG1 VAL A 30 -6.287 1.914 -3.661 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.949 0.209 -4.851 1.00 0.00 C ATOM 0 H VAL A 30 -4.280 -1.358 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.639 1.376 -2.896 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.219 -0.157 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.083 1.780 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.719 2.215 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.600 2.686 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.756 0.128 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.242 0.972 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.436 -0.749 -4.770 1.00 0.00 H new ATOM 186 N LEU A 31 -5.533 0.613 -0.280 1.00 0.00 N ATOM 187 CA LEU A 31 -5.942 1.106 1.034 1.00 0.00 C ATOM 188 C LEU A 31 -4.695 1.452 1.855 1.00 0.00 C ATOM 189 O LEU A 31 -4.645 2.515 2.471 1.00 0.00 O ATOM 190 CB LEU A 31 -6.795 0.048 1.768 1.00 0.00 C ATOM 191 CG LEU A 31 -8.304 -0.005 1.454 1.00 0.00 C ATOM 192 CD1 LEU A 31 -8.674 0.236 -0.010 1.00 0.00 C ATOM 193 CD2 LEU A 31 -8.876 -1.363 1.880 1.00 0.00 C ATOM 0 H LEU A 31 -5.846 -0.337 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.551 2.002 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.373 -0.933 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.682 0.212 2.840 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.737 0.820 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.756 0.178 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.329 1.224 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.201 -0.522 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.942 -1.395 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.367 -2.159 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.726 -1.501 2.951 1.00 0.00 H new ATOM 205 N ALA A 32 -3.697 0.560 1.876 1.00 0.00 N ATOM 206 CA ALA A 32 -2.491 0.725 2.682 1.00 0.00 C ATOM 207 C ALA A 32 -1.646 1.941 2.274 1.00 0.00 C ATOM 208 O ALA A 32 -0.919 2.462 3.118 1.00 0.00 O ATOM 209 CB ALA A 32 -1.642 -0.549 2.610 1.00 0.00 C ATOM 0 H ALA A 32 -3.708 -0.301 1.329 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.820 0.906 3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.743 -0.422 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.218 -1.392 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.360 -0.741 1.575 1.00 0.00 H new ATOM 215 N GLY A 33 -1.731 2.400 1.021 1.00 0.00 N ATOM 216 CA GLY A 33 -1.025 3.592 0.559 1.00 0.00 C ATOM 217 C GLY A 33 -1.927 4.828 0.540 1.00 0.00 C ATOM 218 O GLY A 33 -1.439 5.939 0.717 1.00 0.00 O ATOM 0 H GLY A 33 -2.294 1.951 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.169 3.779 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.633 3.415 -0.443 1.00 0.00 H new ATOM 222 N LEU A 34 -3.255 4.688 0.438 1.00 0.00 N ATOM 223 CA LEU A 34 -4.164 5.800 0.729 1.00 0.00 C ATOM 224 C LEU A 34 -4.034 6.227 2.199 1.00 0.00 C ATOM 225 O LEU A 34 -4.280 7.390 2.539 1.00 0.00 O ATOM 226 CB LEU A 34 -5.623 5.429 0.414 1.00 0.00 C ATOM 227 CG LEU A 34 -6.214 6.143 -0.813 1.00 0.00 C ATOM 228 CD1 LEU A 34 -5.439 5.890 -2.109 1.00 0.00 C ATOM 229 CD2 LEU A 34 -7.666 5.693 -1.005 1.00 0.00 C ATOM 0 H LEU A 34 -3.719 3.824 0.159 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.882 6.636 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.684 4.352 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.239 5.659 1.284 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.148 7.212 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.916 6.426 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.413 6.241 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.435 4.822 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.091 6.196 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.695 4.614 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.246 5.948 -0.118 1.00 0.00 H new ATOM 241 N ALA A 35 -3.657 5.287 3.068 1.00 0.00 N ATOM 242 CA ALA A 35 -3.322 5.524 4.462 1.00 0.00 C ATOM 243 C ALA A 35 -1.974 6.233 4.650 1.00 0.00 C ATOM 244 O ALA A 35 -1.777 6.819 5.716 1.00 0.00 O ATOM 245 CB ALA A 35 -3.287 4.184 5.209 1.00 0.00 C ATOM 0 H ALA A 35 -3.576 4.305 2.804 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.092 6.183 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.036 4.357 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.264 3.706 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.536 3.536 4.758 1.00 0.00 H new ATOM 251 N ILE A 36 -1.043 6.138 3.692 1.00 0.00 N ATOM 252 CA ILE A 36 0.363 6.509 3.842 1.00 0.00 C ATOM 253 C ILE A 36 0.814 7.149 2.519 1.00 0.00 C ATOM 254 O ILE A 36 1.278 6.468 1.606 1.00 0.00 O ATOM 255 CB ILE A 36 1.222 5.269 4.215 1.00 0.00 C ATOM 256 CG1 ILE A 36 0.789 4.501 5.487 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.711 5.633 4.337 1.00 0.00 C ATOM 258 CD1 ILE A 36 0.957 5.228 6.828 1.00 0.00 C ATOM 0 H ILE A 36 -1.260 5.788 2.759 1.00 0.00 H new ATOM 0 HA ILE A 36 0.493 7.223 4.655 1.00 0.00 H new ATOM 0 HB ILE A 36 1.051 4.589 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.261 4.229 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.356 3.571 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.283 4.743 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.068 6.027 3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.839 6.388 5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.617 4.582 7.637 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.008 5.476 6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.365 6.143 6.822 1.00 0.00 H new ATOM 270 N SER A 37 0.723 8.472 2.437 1.00 0.00 N ATOM 271 CA SER A 37 1.028 9.276 1.260 1.00 0.00 C ATOM 272 C SER A 37 0.051 8.967 0.100 1.00 0.00 C ATOM 273 O SER A 37 0.460 8.511 -0.973 1.00 0.00 O ATOM 274 CB SER A 37 2.532 9.171 0.926 1.00 0.00 C ATOM 275 OG SER A 37 3.033 10.435 0.534 1.00 0.00 O ATOM 0 H SER A 37 0.420 9.040 3.228 1.00 0.00 H new ATOM 0 HA SER A 37 0.856 10.333 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.081 8.807 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.685 8.447 0.126 1.00 0.00 H new ATOM 0 HG SER A 37 3.988 10.358 0.326 1.00 0.00 H new ATOM 281 N PRO A 38 -1.254 9.285 0.264 1.00 0.00 N ATOM 282 CA PRO A 38 -2.267 9.084 -0.774 1.00 0.00 C ATOM 283 C PRO A 38 -1.951 9.894 -2.037 1.00 0.00 C ATOM 284 O PRO A 38 -2.268 9.469 -3.146 1.00 0.00 O ATOM 285 CB PRO A 38 -3.592 9.559 -0.166 1.00 0.00 C ATOM 286 CG PRO A 38 -3.169 10.514 0.944 1.00 0.00 C ATOM 287 CD PRO A 38 -1.856 9.914 1.433 1.00 0.00 C ATOM 0 HA PRO A 38 -2.303 8.037 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.214 10.060 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.173 8.724 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.035 11.530 0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.912 10.561 1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.203 10.683 1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.029 9.185 2.225 1.00 0.00 H new ATOM 295 N GLU A 39 -1.347 11.074 -1.878 1.00 0.00 N ATOM 296 CA GLU A 39 -1.061 11.989 -2.978 1.00 0.00 C ATOM 297 C GLU A 39 0.064 11.409 -3.841 1.00 0.00 C ATOM 298 O GLU A 39 -0.026 11.418 -5.068 1.00 0.00 O ATOM 299 CB GLU A 39 -0.722 13.400 -2.456 1.00 0.00 C ATOM 300 CG GLU A 39 -1.580 13.826 -1.246 1.00 0.00 C ATOM 301 CD GLU A 39 -1.336 15.256 -0.755 1.00 0.00 C ATOM 302 OE1 GLU A 39 -0.797 16.098 -1.499 1.00 0.00 O ATOM 303 OE2 GLU A 39 -1.814 15.568 0.370 1.00 0.00 O ATOM 0 H GLU A 39 -1.040 11.422 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.951 12.095 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.331 13.433 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.860 14.121 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.632 13.723 -1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.389 13.137 -0.423 1.00 0.00 H new ATOM 310 N TRP A 40 1.088 10.824 -3.210 1.00 0.00 N ATOM 311 CA TRP A 40 2.149 10.119 -3.917 1.00 0.00 C ATOM 312 C TRP A 40 1.607 8.885 -4.641 1.00 0.00 C ATOM 313 O TRP A 40 2.037 8.572 -5.749 1.00 0.00 O ATOM 314 CB TRP A 40 3.245 9.713 -2.929 1.00 0.00 C ATOM 315 CG TRP A 40 4.230 8.725 -3.463 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.380 9.017 -4.104 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.129 7.272 -3.469 1.00 0.00 C ATOM 318 NE1 TRP A 40 6.001 7.854 -4.505 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.286 6.742 -4.113 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.181 6.351 -2.974 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.502 5.361 -4.221 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.379 4.964 -3.091 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.549 4.469 -3.697 1.00 0.00 C ATOM 0 H TRP A 40 1.199 10.829 -2.196 1.00 0.00 H new ATOM 0 HA TRP A 40 2.567 10.790 -4.667 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.782 10.608 -2.615 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.776 9.294 -2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.758 10.014 -4.277 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.878 7.820 -5.025 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.285 6.719 -2.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.393 4.985 -4.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.633 4.278 -2.716 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.715 3.404 -3.760 1.00 0.00 H new ATOM 334 N LEU A 41 0.653 8.169 -4.048 1.00 0.00 N ATOM 335 CA LEU A 41 -0.006 7.066 -4.741 1.00 0.00 C ATOM 336 C LEU A 41 -0.684 7.614 -6.004 1.00 0.00 C ATOM 337 O LEU A 41 -0.463 7.103 -7.106 1.00 0.00 O ATOM 338 CB LEU A 41 -0.932 6.348 -3.747 1.00 0.00 C ATOM 339 CG LEU A 41 -1.789 5.200 -4.315 1.00 0.00 C ATOM 340 CD1 LEU A 41 -2.261 4.335 -3.140 1.00 0.00 C ATOM 341 CD2 LEU A 41 -3.029 5.667 -5.080 1.00 0.00 C ATOM 0 H LEU A 41 0.322 8.332 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 41 0.692 6.306 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.321 5.950 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.601 7.088 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.162 4.658 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.871 3.513 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.395 3.933 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.852 4.943 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.578 4.800 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.669 6.247 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.724 6.287 -5.923 1.00 0.00 H new ATOM 353 N LYS A 42 -1.462 8.690 -5.863 1.00 0.00 N ATOM 354 CA LYS A 42 -2.192 9.316 -6.960 1.00 0.00 C ATOM 355 C LYS A 42 -1.282 9.806 -8.085 1.00 0.00 C ATOM 356 O LYS A 42 -1.602 9.497 -9.236 1.00 0.00 O ATOM 357 CB LYS A 42 -3.083 10.445 -6.420 1.00 0.00 C ATOM 358 CG LYS A 42 -4.350 9.866 -5.773 1.00 0.00 C ATOM 359 CD LYS A 42 -5.146 10.938 -5.023 1.00 0.00 C ATOM 360 CE LYS A 42 -6.506 10.339 -4.659 1.00 0.00 C ATOM 361 NZ LYS A 42 -7.372 11.276 -3.920 1.00 0.00 N ATOM 0 H LYS A 42 -1.602 9.156 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.823 8.549 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.530 11.034 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.357 11.120 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.979 9.418 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.074 9.069 -5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.614 11.251 -4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.273 11.825 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.014 10.026 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.352 9.444 -4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.278 10.813 -3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.904 11.556 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.546 12.120 -4.502 1.00 0.00 H new ATOM 375 N GLN A 43 -0.190 10.533 -7.801 1.00 0.00 N ATOM 376 CA GLN A 43 0.671 11.100 -8.851 1.00 0.00 C ATOM 377 C GLN A 43 1.208 10.006 -9.775 1.00 0.00 C ATOM 378 O GLN A 43 1.295 10.185 -10.990 1.00 0.00 O ATOM 379 CB GLN A 43 1.788 12.011 -8.302 1.00 0.00 C ATOM 380 CG GLN A 43 2.670 11.307 -7.305 1.00 0.00 C ATOM 381 CD GLN A 43 4.184 11.262 -7.524 1.00 0.00 C ATOM 382 OE1 GLN A 43 4.923 11.420 -6.554 1.00 0.00 O ATOM 383 NE2 GLN A 43 4.681 10.964 -8.717 1.00 0.00 N ATOM 0 H GLN A 43 0.118 10.742 -6.851 1.00 0.00 H new ATOM 0 HA GLN A 43 0.040 11.757 -9.450 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.398 12.372 -9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.340 12.886 -7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.496 11.770 -6.334 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.321 10.277 -7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.056 10.836 -9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.689 10.863 -8.839 1.00 0.00 H new ATOM 392 N ASN A 44 1.553 8.866 -9.179 1.00 0.00 N ATOM 393 CA ASN A 44 2.142 7.729 -9.855 1.00 0.00 C ATOM 394 C ASN A 44 1.092 6.975 -10.654 1.00 0.00 C ATOM 395 O ASN A 44 1.328 6.713 -11.830 1.00 0.00 O ATOM 396 CB ASN A 44 2.873 6.839 -8.844 1.00 0.00 C ATOM 397 CG ASN A 44 4.183 7.513 -8.476 1.00 0.00 C ATOM 398 OD1 ASN A 44 5.054 7.617 -9.323 1.00 0.00 O ATOM 399 ND2 ASN A 44 4.333 8.037 -7.272 1.00 0.00 N ATOM 0 H ASN A 44 1.423 8.711 -8.179 1.00 0.00 H new ATOM 0 HA ASN A 44 2.884 8.078 -10.573 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.259 6.691 -7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.060 5.854 -9.271 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.189 8.539 -7.037 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.593 7.939 -6.577 1.00 0.00 H new ATOM 406 N ILE A 45 -0.071 6.651 -10.072 1.00 0.00 N ATOM 407 CA ILE A 45 -1.158 6.005 -10.814 1.00 0.00 C ATOM 408 C ILE A 45 -1.621 6.878 -11.992 1.00 0.00 C ATOM 409 O ILE A 45 -2.021 6.333 -13.023 1.00 0.00 O ATOM 410 CB ILE A 45 -2.328 5.657 -9.863 1.00 0.00 C ATOM 411 CG1 ILE A 45 -1.988 4.542 -8.851 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.591 5.251 -10.635 1.00 0.00 C ATOM 413 CD1 ILE A 45 -1.766 3.151 -9.457 1.00 0.00 C ATOM 0 H ILE A 45 -0.281 6.827 -9.089 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.782 5.073 -11.236 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.513 6.576 -9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.089 4.830 -8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.796 4.478 -8.122 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.388 5.015 -9.930 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.906 6.074 -11.276 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.377 4.375 -11.248 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.533 2.441 -8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.670 2.832 -9.976 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.937 3.190 -10.163 1.00 0.00 H new ATOM 425 N ALA A 46 -1.563 8.212 -11.886 1.00 0.00 N ATOM 426 CA ALA A 46 -2.015 9.090 -12.963 1.00 0.00 C ATOM 427 C ALA A 46 -1.297 8.771 -14.282 1.00 0.00 C ATOM 428 O ALA A 46 -1.941 8.716 -15.329 1.00 0.00 O ATOM 429 CB ALA A 46 -1.845 10.555 -12.557 1.00 0.00 C ATOM 0 H ALA A 46 -1.207 8.702 -11.065 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.077 8.912 -13.134 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.185 11.199 -13.368 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.435 10.755 -11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.794 10.756 -12.351 1.00 0.00 H new ATOM 435 N ALA A 47 0.003 8.464 -14.212 1.00 0.00 N ATOM 436 CA ALA A 47 0.825 8.057 -15.345 1.00 0.00 C ATOM 437 C ALA A 47 1.220 6.572 -15.259 1.00 0.00 C ATOM 438 O ALA A 47 2.171 6.144 -15.914 1.00 0.00 O ATOM 439 CB ALA A 47 2.022 9.013 -15.465 1.00 0.00 C ATOM 0 H ALA A 47 0.523 8.495 -13.335 1.00 0.00 H new ATOM 0 HA ALA A 47 0.249 8.135 -16.267 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.642 8.715 -16.311 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.661 10.030 -15.620 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.613 8.973 -14.550 1.00 0.00 H new ATOM 445 N ASN A 48 0.511 5.746 -14.482 1.00 0.00 N ATOM 446 CA ASN A 48 0.743 4.298 -14.337 1.00 0.00 C ATOM 447 C ASN A 48 2.161 3.940 -13.828 1.00 0.00 C ATOM 448 O ASN A 48 2.571 2.788 -13.908 1.00 0.00 O ATOM 449 CB ASN A 48 0.381 3.592 -15.665 1.00 0.00 C ATOM 450 CG ASN A 48 -0.176 2.176 -15.529 1.00 0.00 C ATOM 451 OD1 ASN A 48 -1.267 1.891 -16.010 1.00 0.00 O ATOM 452 ND2 ASN A 48 0.562 1.239 -14.970 1.00 0.00 N ATOM 0 H ASN A 48 -0.270 6.076 -13.914 1.00 0.00 H new ATOM 0 HA ASN A 48 0.086 3.928 -13.550 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.352 4.203 -16.192 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.273 3.554 -16.290 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.226 0.277 -14.937 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.470 1.476 -14.570 1.00 0.00 H new ATOM 459 N GLN A 49 2.928 4.896 -13.294 1.00 0.00 N ATOM 460 CA GLN A 49 4.349 4.775 -12.922 1.00 0.00 C ATOM 461 C GLN A 49 4.587 3.867 -11.701 1.00 0.00 C ATOM 462 O GLN A 49 5.729 3.635 -11.307 1.00 0.00 O ATOM 463 CB GLN A 49 4.913 6.176 -12.596 1.00 0.00 C ATOM 464 CG GLN A 49 4.709 7.266 -13.661 1.00 0.00 C ATOM 465 CD GLN A 49 5.497 7.014 -14.943 1.00 0.00 C ATOM 466 OE1 GLN A 49 6.553 7.602 -15.176 1.00 0.00 O ATOM 467 NE2 GLN A 49 5.026 6.137 -15.807 1.00 0.00 N ATOM 0 H GLN A 49 2.558 5.826 -13.098 1.00 0.00 H new ATOM 0 HA GLN A 49 4.854 4.322 -13.775 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.458 6.519 -11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.982 6.078 -12.410 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.648 7.334 -13.902 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.004 8.230 -13.245 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.151 5.650 -15.614 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.537 5.945 -16.669 1.00 0.00 H new ATOM 476 N LEU A 50 3.515 3.415 -11.048 1.00 0.00 N ATOM 477 CA LEU A 50 3.549 2.675 -9.795 1.00 0.00 C ATOM 478 C LEU A 50 3.736 1.200 -10.117 1.00 0.00 C ATOM 479 O LEU A 50 2.952 0.676 -10.905 1.00 0.00 O ATOM 480 CB LEU A 50 2.210 2.864 -9.061 1.00 0.00 C ATOM 481 CG LEU A 50 2.216 2.169 -7.684 1.00 0.00 C ATOM 482 CD1 LEU A 50 2.915 3.043 -6.639 1.00 0.00 C ATOM 483 CD2 LEU A 50 0.794 1.870 -7.214 1.00 0.00 C ATOM 0 H LEU A 50 2.567 3.562 -11.394 1.00 0.00 H new ATOM 0 HA LEU A 50 4.364 3.033 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.012 3.928 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.400 2.461 -9.669 1.00 0.00 H new ATOM 0 HG LEU A 50 2.760 1.231 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.908 2.534 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.945 3.224 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.390 3.994 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.828 1.380 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.234 2.802 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.303 1.214 -7.933 1.00 0.00 H new ATOM 495 N VAL A 51 4.678 0.518 -9.466 1.00 0.00 N ATOM 496 CA VAL A 51 4.817 -0.930 -9.555 1.00 0.00 C ATOM 497 C VAL A 51 4.328 -1.552 -8.247 1.00 0.00 C ATOM 498 O VAL A 51 4.719 -1.129 -7.154 1.00 0.00 O ATOM 499 CB VAL A 51 6.257 -1.328 -9.933 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.418 -2.858 -9.990 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.619 -0.734 -11.305 1.00 0.00 C ATOM 0 H VAL A 51 5.369 0.960 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 51 4.195 -1.323 -10.359 1.00 0.00 H new ATOM 0 HB VAL A 51 6.924 -0.936 -9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.445 -3.106 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.185 -3.285 -9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.738 -3.268 -10.737 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.638 -1.018 -11.567 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.930 -1.115 -12.059 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.545 0.353 -11.262 1.00 0.00 H new ATOM 511 N TYR A 52 3.473 -2.564 -8.367 1.00 0.00 N ATOM 512 CA TYR A 52 3.148 -3.548 -7.343 1.00 0.00 C ATOM 513 C TYR A 52 4.075 -4.735 -7.600 1.00 0.00 C ATOM 514 O TYR A 52 3.976 -5.362 -8.653 1.00 0.00 O ATOM 515 CB TYR A 52 1.666 -3.942 -7.504 1.00 0.00 C ATOM 516 CG TYR A 52 1.189 -5.210 -6.808 1.00 0.00 C ATOM 517 CD1 TYR A 52 1.302 -6.454 -7.458 1.00 0.00 C ATOM 518 CD2 TYR A 52 0.600 -5.158 -5.532 1.00 0.00 C ATOM 519 CE1 TYR A 52 0.821 -7.629 -6.857 1.00 0.00 C ATOM 520 CE2 TYR A 52 0.095 -6.324 -4.928 1.00 0.00 C ATOM 521 CZ TYR A 52 0.180 -7.561 -5.600 1.00 0.00 C ATOM 522 OH TYR A 52 -0.303 -8.688 -5.013 1.00 0.00 O ATOM 0 H TYR A 52 2.959 -2.727 -9.233 1.00 0.00 H new ATOM 0 HA TYR A 52 3.285 -3.176 -6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.058 -3.113 -7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.461 -4.047 -8.569 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.765 -6.505 -8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.535 -4.214 -5.011 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.941 -8.580 -7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.358 -6.272 -3.949 1.00 0.00 H new ATOM 0 HH TYR A 52 0.138 -8.821 -4.148 1.00 0.00 H new ATOM 532 N GLY A 53 4.968 -5.052 -6.665 1.00 0.00 N ATOM 533 CA GLY A 53 5.780 -6.260 -6.711 1.00 0.00 C ATOM 534 C GLY A 53 6.013 -6.837 -5.322 1.00 0.00 C ATOM 535 O GLY A 53 5.757 -6.160 -4.322 1.00 0.00 O ATOM 0 H GLY A 53 5.148 -4.470 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.288 -7.005 -7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.739 -6.036 -7.177 1.00 0.00 H new ATOM 539 N ILE A 54 6.452 -8.096 -5.260 1.00 0.00 N ATOM 540 CA ILE A 54 6.674 -8.835 -4.016 1.00 0.00 C ATOM 541 C ILE A 54 8.169 -8.833 -3.736 1.00 0.00 C ATOM 542 O ILE A 54 8.959 -9.000 -4.662 1.00 0.00 O ATOM 543 CB ILE A 54 6.149 -10.288 -4.127 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.645 -10.404 -4.469 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.429 -11.074 -2.833 1.00 0.00 C ATOM 546 CD1 ILE A 54 3.693 -10.003 -3.332 1.00 0.00 C ATOM 0 H ILE A 54 6.668 -8.643 -6.094 1.00 0.00 H new ATOM 0 HA ILE A 54 6.130 -8.358 -3.201 1.00 0.00 H new ATOM 0 HB ILE A 54 6.697 -10.716 -4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.435 -9.779 -5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.431 -11.433 -4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.051 -12.091 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.503 -11.103 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.931 -10.585 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.661 -10.117 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.869 -10.643 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.873 -8.964 -3.056 1.00 0.00 H new ATOM 558 N VAL A 55 8.544 -8.688 -2.466 1.00 0.00 N ATOM 559 CA VAL A 55 9.910 -8.748 -1.968 1.00 0.00 C ATOM 560 C VAL A 55 10.610 -10.020 -2.446 1.00 0.00 C ATOM 561 O VAL A 55 11.489 -9.931 -3.301 1.00 0.00 O ATOM 562 CB VAL A 55 9.859 -8.597 -0.437 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.166 -9.001 0.262 1.00 0.00 C ATOM 564 CG2 VAL A 55 9.507 -7.144 -0.100 1.00 0.00 C ATOM 0 H VAL A 55 7.867 -8.517 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 55 10.514 -7.933 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 55 9.097 -9.281 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.059 -8.869 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.387 -10.046 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.981 -8.375 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.467 -7.021 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.267 -6.480 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.536 -6.896 -0.529 1.00 0.00 H new ATOM 574 N LYS A 56 10.254 -11.182 -1.879 1.00 0.00 N ATOM 575 CA LYS A 56 10.963 -12.450 -2.017 1.00 0.00 C ATOM 576 C LYS A 56 12.434 -12.361 -1.583 1.00 0.00 C ATOM 577 O LYS A 56 12.989 -11.281 -1.374 1.00 0.00 O ATOM 578 CB LYS A 56 10.782 -12.982 -3.454 1.00 0.00 C ATOM 579 CG LYS A 56 9.349 -13.475 -3.725 1.00 0.00 C ATOM 580 CD LYS A 56 9.185 -14.984 -3.549 1.00 0.00 C ATOM 581 CE LYS A 56 9.025 -15.430 -2.095 1.00 0.00 C ATOM 582 NZ LYS A 56 8.991 -16.902 -2.014 1.00 0.00 N ATOM 0 H LYS A 56 9.427 -11.261 -1.287 1.00 0.00 H new ATOM 0 HA LYS A 56 10.523 -13.172 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.032 -12.193 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.482 -13.799 -3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.662 -12.961 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.064 -13.202 -4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.314 -15.312 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.053 -15.485 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.850 -15.045 -1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.107 -15.014 -1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.882 -17.193 -1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.189 -17.262 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.878 -17.291 -2.393 1.00 0.00 H new ATOM 596 N PRO A 57 13.110 -13.502 -1.391 1.00 0.00 N ATOM 597 CA PRO A 57 14.564 -13.538 -1.383 1.00 0.00 C ATOM 598 C PRO A 57 15.081 -13.294 -2.813 1.00 0.00 C ATOM 599 O PRO A 57 15.443 -14.233 -3.528 1.00 0.00 O ATOM 600 CB PRO A 57 14.923 -14.893 -0.775 1.00 0.00 C ATOM 601 CG PRO A 57 13.709 -15.784 -1.026 1.00 0.00 C ATOM 602 CD PRO A 57 12.536 -14.814 -1.129 1.00 0.00 C ATOM 0 HA PRO A 57 15.040 -12.758 -0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.818 -15.308 -1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.130 -14.803 0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.825 -16.364 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.565 -16.496 -0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.858 -15.108 -1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.956 -14.807 -0.206 1.00 0.00 H new ATOM 610 N SER A 58 15.037 -12.043 -3.264 1.00 0.00 N ATOM 611 CA SER A 58 15.230 -11.646 -4.656 1.00 0.00 C ATOM 612 C SER A 58 16.244 -10.509 -4.765 1.00 0.00 C ATOM 613 O SER A 58 17.240 -10.643 -5.478 1.00 0.00 O ATOM 614 CB SER A 58 13.866 -11.278 -5.265 1.00 0.00 C ATOM 615 OG SER A 58 13.874 -11.446 -6.673 1.00 0.00 O ATOM 0 H SER A 58 14.860 -11.250 -2.648 1.00 0.00 H new ATOM 0 HA SER A 58 15.645 -12.478 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.088 -11.902 -4.826 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.622 -10.244 -5.020 1.00 0.00 H new ATOM 0 HG SER A 58 12.996 -11.207 -7.036 1.00 0.00 H new ATOM 621 N ASP A 59 16.003 -9.401 -4.067 1.00 0.00 N ATOM 622 CA ASP A 59 16.773 -8.168 -4.194 1.00 0.00 C ATOM 623 C ASP A 59 17.173 -7.699 -2.802 1.00 0.00 C ATOM 624 O ASP A 59 16.785 -8.301 -1.798 1.00 0.00 O ATOM 625 CB ASP A 59 15.967 -7.103 -4.969 1.00 0.00 C ATOM 626 CG ASP A 59 16.483 -6.984 -6.399 1.00 0.00 C ATOM 627 OD1 ASP A 59 16.247 -7.939 -7.181 1.00 0.00 O ATOM 628 OD2 ASP A 59 17.209 -6.025 -6.739 1.00 0.00 O ATOM 0 H ASP A 59 15.250 -9.335 -3.382 1.00 0.00 H new ATOM 0 HA ASP A 59 17.681 -8.344 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.911 -7.372 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.046 -6.140 -4.465 1.00 0.00 H new ATOM 633 N THR A 60 17.952 -6.625 -2.725 1.00 0.00 N ATOM 634 CA THR A 60 18.277 -5.956 -1.478 1.00 0.00 C ATOM 635 C THR A 60 16.993 -5.507 -0.781 1.00 0.00 C ATOM 636 O THR A 60 16.315 -4.596 -1.262 1.00 0.00 O ATOM 637 CB THR A 60 19.180 -4.758 -1.787 1.00 0.00 C ATOM 638 OG1 THR A 60 20.323 -5.203 -2.485 1.00 0.00 O ATOM 639 CG2 THR A 60 19.614 -4.019 -0.519 1.00 0.00 C ATOM 0 H THR A 60 18.380 -6.191 -3.543 1.00 0.00 H new ATOM 0 HA THR A 60 18.802 -6.637 -0.809 1.00 0.00 H new ATOM 0 HB THR A 60 18.607 -4.059 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 60 20.902 -4.438 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 60 20.253 -3.178 -0.789 1.00 0.00 H new ATOM 0 HG22 THR A 60 18.733 -3.652 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 60 20.166 -4.700 0.128 1.00 0.00 H new ATOM 647 N VAL A 61 16.680 -6.082 0.378 1.00 0.00 N ATOM 648 CA VAL A 61 15.550 -5.650 1.189 1.00 0.00 C ATOM 649 C VAL A 61 15.941 -5.621 2.670 1.00 0.00 C ATOM 650 O VAL A 61 16.903 -6.289 3.074 1.00 0.00 O ATOM 651 CB VAL A 61 14.334 -6.563 0.943 1.00 0.00 C ATOM 652 CG1 VAL A 61 13.702 -6.261 -0.421 1.00 0.00 C ATOM 653 CG2 VAL A 61 14.665 -8.051 1.107 1.00 0.00 C ATOM 0 H VAL A 61 17.204 -6.860 0.779 1.00 0.00 H new ATOM 0 HA VAL A 61 15.269 -4.638 0.898 1.00 0.00 H new ATOM 0 HB VAL A 61 13.598 -6.339 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.845 -6.915 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.375 -5.222 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.437 -6.431 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.770 -8.645 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 61 15.441 -8.332 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.019 -8.235 2.121 1.00 0.00 H new ATOM 663 N PRO A 62 15.205 -4.870 3.501 1.00 0.00 N ATOM 664 CA PRO A 62 15.323 -4.922 4.951 1.00 0.00 C ATOM 665 C PRO A 62 14.731 -6.221 5.517 1.00 0.00 C ATOM 666 O PRO A 62 14.158 -7.041 4.794 1.00 0.00 O ATOM 667 CB PRO A 62 14.590 -3.677 5.458 1.00 0.00 C ATOM 668 CG PRO A 62 13.587 -3.362 4.355 1.00 0.00 C ATOM 669 CD PRO A 62 14.213 -3.896 3.083 1.00 0.00 C ATOM 0 HA PRO A 62 16.363 -4.925 5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.091 -3.867 6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.278 -2.847 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.626 -3.837 4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.404 -2.290 4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.461 -4.356 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.674 -3.093 2.508 1.00 0.00 H new ATOM 677 N ALA A 63 14.870 -6.408 6.830 1.00 0.00 N ATOM 678 CA ALA A 63 14.316 -7.546 7.551 1.00 0.00 C ATOM 679 C ALA A 63 12.788 -7.451 7.655 1.00 0.00 C ATOM 680 O ALA A 63 12.232 -6.351 7.765 1.00 0.00 O ATOM 681 CB ALA A 63 14.939 -7.574 8.952 1.00 0.00 C ATOM 0 H ALA A 63 15.380 -5.759 7.429 1.00 0.00 H new ATOM 0 HA ALA A 63 14.549 -8.463 7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.538 -8.419 9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.021 -7.675 8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.701 -6.648 9.475 1.00 0.00 H new ATOM 687 N GLY A 64 12.111 -8.597 7.750 1.00 0.00 N ATOM 688 CA GLY A 64 10.728 -8.692 8.211 1.00 0.00 C ATOM 689 C GLY A 64 9.684 -8.427 7.134 1.00 0.00 C ATOM 690 O GLY A 64 8.613 -7.908 7.458 1.00 0.00 O ATOM 0 H GLY A 64 12.517 -9.500 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.563 -9.688 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.580 -7.983 9.025 1.00 0.00 H new ATOM 694 N VAL A 65 9.993 -8.715 5.868 1.00 0.00 N ATOM 695 CA VAL A 65 9.142 -8.407 4.719 1.00 0.00 C ATOM 696 C VAL A 65 9.162 -9.554 3.686 1.00 0.00 C ATOM 697 O VAL A 65 8.970 -9.313 2.503 1.00 0.00 O ATOM 698 CB VAL A 65 9.526 -7.022 4.124 1.00 0.00 C ATOM 699 CG1 VAL A 65 8.994 -5.869 4.986 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.040 -6.812 3.932 1.00 0.00 C ATOM 0 H VAL A 65 10.863 -9.180 5.608 1.00 0.00 H new ATOM 0 HA VAL A 65 8.105 -8.329 5.047 1.00 0.00 H new ATOM 0 HB VAL A 65 9.058 -7.019 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.282 -4.918 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.907 -5.929 5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.415 -5.941 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.220 -5.822 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.544 -6.896 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.429 -7.570 3.252 1.00 0.00 H new ATOM 710 N ASP A 66 9.379 -10.806 4.102 1.00 0.00 N ATOM 711 CA ASP A 66 9.958 -11.876 3.265 1.00 0.00 C ATOM 712 C ASP A 66 9.142 -12.315 2.037 1.00 0.00 C ATOM 713 O ASP A 66 9.664 -12.878 1.075 1.00 0.00 O ATOM 714 CB ASP A 66 10.179 -13.068 4.209 1.00 0.00 C ATOM 715 CG ASP A 66 11.074 -14.162 3.644 1.00 0.00 C ATOM 716 OD1 ASP A 66 12.301 -14.115 3.922 1.00 0.00 O ATOM 717 OD2 ASP A 66 10.558 -15.142 3.071 1.00 0.00 O ATOM 0 H ASP A 66 9.155 -11.116 5.048 1.00 0.00 H new ATOM 0 HA ASP A 66 10.870 -11.482 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.615 -12.703 5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.211 -13.501 4.460 1.00 0.00 H new ATOM 722 N ASP A 67 7.869 -11.945 2.022 1.00 0.00 N ATOM 723 CA ASP A 67 6.898 -12.111 0.928 1.00 0.00 C ATOM 724 C ASP A 67 5.859 -10.985 1.024 1.00 0.00 C ATOM 725 O ASP A 67 4.677 -11.152 0.699 1.00 0.00 O ATOM 726 CB ASP A 67 6.274 -13.517 1.000 1.00 0.00 C ATOM 727 CG ASP A 67 5.528 -13.925 -0.276 1.00 0.00 C ATOM 728 OD1 ASP A 67 6.138 -14.093 -1.355 1.00 0.00 O ATOM 729 OD2 ASP A 67 4.305 -14.185 -0.213 1.00 0.00 O ATOM 0 H ASP A 67 7.448 -11.486 2.830 1.00 0.00 H new ATOM 0 HA ASP A 67 7.381 -12.035 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.061 -14.245 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.583 -13.556 1.842 1.00 0.00 H new ATOM 734 N TYR A 68 6.283 -9.835 1.559 1.00 0.00 N ATOM 735 CA TYR A 68 5.482 -8.624 1.588 1.00 0.00 C ATOM 736 C TYR A 68 5.396 -8.075 0.176 1.00 0.00 C ATOM 737 O TYR A 68 6.329 -8.203 -0.623 1.00 0.00 O ATOM 738 CB TYR A 68 6.045 -7.583 2.561 1.00 0.00 C ATOM 739 CG TYR A 68 5.648 -7.764 4.021 1.00 0.00 C ATOM 740 CD1 TYR A 68 5.576 -9.043 4.617 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.267 -6.637 4.776 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.135 -9.194 5.940 1.00 0.00 C ATOM 743 CE2 TYR A 68 4.796 -6.783 6.093 1.00 0.00 C ATOM 744 CZ TYR A 68 4.725 -8.065 6.678 1.00 0.00 C ATOM 745 OH TYR A 68 4.263 -8.198 7.949 1.00 0.00 O ATOM 0 H TYR A 68 7.203 -9.726 1.986 1.00 0.00 H new ATOM 0 HA TYR A 68 4.483 -8.864 1.953 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.133 -7.600 2.494 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.721 -6.595 2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.864 -9.914 4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.337 -5.652 4.339 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.110 -10.174 6.393 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.489 -5.914 6.656 1.00 0.00 H new ATOM 0 HH TYR A 68 4.690 -8.971 8.373 1.00 0.00 H new ATOM 755 N SER A 69 4.273 -7.440 -0.112 1.00 0.00 N ATOM 756 CA SER A 69 4.101 -6.607 -1.268 1.00 0.00 C ATOM 757 C SER A 69 4.789 -5.273 -0.949 1.00 0.00 C ATOM 758 O SER A 69 4.754 -4.814 0.195 1.00 0.00 O ATOM 759 CB SER A 69 2.595 -6.484 -1.560 1.00 0.00 C ATOM 760 OG SER A 69 1.735 -7.220 -0.688 1.00 0.00 O ATOM 0 H SER A 69 3.440 -7.497 0.473 1.00 0.00 H new ATOM 0 HA SER A 69 4.552 -7.013 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.318 -5.431 -1.510 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.413 -6.813 -2.583 1.00 0.00 H new ATOM 0 HG SER A 69 0.930 -6.694 -0.502 1.00 0.00 H new ATOM 766 N TYR A 70 5.443 -4.652 -1.928 1.00 0.00 N ATOM 767 CA TYR A 70 5.970 -3.300 -1.821 1.00 0.00 C ATOM 768 C TYR A 70 5.486 -2.475 -3.000 1.00 0.00 C ATOM 769 O TYR A 70 5.504 -2.928 -4.150 1.00 0.00 O ATOM 770 CB TYR A 70 7.499 -3.272 -1.686 1.00 0.00 C ATOM 771 CG TYR A 70 8.258 -3.710 -2.925 1.00 0.00 C ATOM 772 CD1 TYR A 70 8.383 -5.079 -3.211 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.787 -2.762 -3.827 1.00 0.00 C ATOM 774 CE1 TYR A 70 9.035 -5.496 -4.380 1.00 0.00 C ATOM 775 CE2 TYR A 70 9.451 -3.186 -4.995 1.00 0.00 C ATOM 776 CZ TYR A 70 9.599 -4.560 -5.267 1.00 0.00 C ATOM 777 OH TYR A 70 10.272 -4.982 -6.370 1.00 0.00 O ATOM 0 H TYR A 70 5.623 -5.085 -2.834 1.00 0.00 H new ATOM 0 HA TYR A 70 5.590 -2.856 -0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.808 -2.259 -1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.788 -3.915 -0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.976 -5.812 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.682 -1.707 -3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.105 -6.550 -4.603 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.848 -2.455 -5.684 1.00 0.00 H new ATOM 0 HH TYR A 70 10.595 -4.206 -6.873 1.00 0.00 H new ATOM 787 N LEU A 71 5.049 -1.259 -2.686 1.00 0.00 N ATOM 788 CA LEU A 71 4.685 -0.230 -3.637 1.00 0.00 C ATOM 789 C LEU A 71 5.863 0.723 -3.724 1.00 0.00 C ATOM 790 O LEU A 71 6.360 1.185 -2.691 1.00 0.00 O ATOM 791 CB LEU A 71 3.446 0.560 -3.178 1.00 0.00 C ATOM 792 CG LEU A 71 2.135 -0.216 -2.956 1.00 0.00 C ATOM 793 CD1 LEU A 71 1.974 -1.467 -3.826 1.00 0.00 C ATOM 794 CD2 LEU A 71 1.874 -0.458 -1.469 1.00 0.00 C ATOM 0 H LEU A 71 4.936 -0.957 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 71 4.447 -0.690 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.698 1.064 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.253 1.337 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 71 1.339 0.435 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.022 -1.947 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.997 -1.184 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.789 -2.161 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.941 -1.008 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.694 -1.037 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.801 0.499 -0.952 1.00 0.00 H new ATOM 806 N VAL A 72 6.271 1.035 -4.946 1.00 0.00 N ATOM 807 CA VAL A 72 7.270 2.038 -5.284 1.00 0.00 C ATOM 808 C VAL A 72 6.896 2.546 -6.686 1.00 0.00 C ATOM 809 O VAL A 72 6.051 1.930 -7.348 1.00 0.00 O ATOM 810 CB VAL A 72 8.666 1.389 -5.152 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.970 0.345 -6.220 1.00 0.00 C ATOM 812 CG2 VAL A 72 9.821 2.395 -5.113 1.00 0.00 C ATOM 0 H VAL A 72 5.894 0.570 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 72 7.299 2.904 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 72 8.603 0.891 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.968 -0.062 -6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.236 -0.459 -6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.924 0.809 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.766 1.860 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.825 2.980 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.695 3.061 -4.259 1.00 0.00 H new ATOM 822 N ALA A 73 7.471 3.657 -7.148 1.00 0.00 N ATOM 823 CA ALA A 73 7.399 4.008 -8.562 1.00 0.00 C ATOM 824 C ALA A 73 8.662 3.493 -9.236 1.00 0.00 C ATOM 825 O ALA A 73 9.703 3.394 -8.581 1.00 0.00 O ATOM 826 CB ALA A 73 7.276 5.520 -8.758 1.00 0.00 C ATOM 0 H ALA A 73 7.986 4.321 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 73 6.512 3.554 -9.004 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.225 5.746 -9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.371 5.878 -8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.144 6.015 -8.324 1.00 0.00 H new ATOM 832 N ALA A 74 8.607 3.264 -10.547 1.00 0.00 N ATOM 833 CA ALA A 74 9.764 2.789 -11.300 1.00 0.00 C ATOM 834 C ALA A 74 10.939 3.778 -11.282 1.00 0.00 C ATOM 835 O ALA A 74 12.067 3.386 -11.582 1.00 0.00 O ATOM 836 CB ALA A 74 9.345 2.469 -12.736 1.00 0.00 C ATOM 0 H ALA A 74 7.768 3.401 -11.111 1.00 0.00 H new ATOM 0 HA ALA A 74 10.123 1.884 -10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.210 2.115 -13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.577 1.696 -12.727 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.950 3.368 -13.209 1.00 0.00 H new ATOM 842 N ASP A 75 10.689 5.034 -10.904 1.00 0.00 N ATOM 843 CA ASP A 75 11.692 6.095 -10.820 1.00 0.00 C ATOM 844 C ASP A 75 11.932 6.545 -9.373 1.00 0.00 C ATOM 845 O ASP A 75 12.771 7.422 -9.153 1.00 0.00 O ATOM 846 CB ASP A 75 11.300 7.335 -11.646 1.00 0.00 C ATOM 847 CG ASP A 75 10.857 7.079 -13.079 1.00 0.00 C ATOM 848 OD1 ASP A 75 11.670 6.601 -13.910 1.00 0.00 O ATOM 849 OD2 ASP A 75 9.685 7.391 -13.381 1.00 0.00 O ATOM 0 H ASP A 75 9.755 5.349 -10.640 1.00 0.00 H new ATOM 0 HA ASP A 75 12.605 5.661 -11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.493 7.851 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.152 8.015 -11.668 1.00 0.00 H new ATOM 854 N ASP A 76 11.216 5.991 -8.387 1.00 0.00 N ATOM 855 CA ASP A 76 11.210 6.470 -6.991 1.00 0.00 C ATOM 856 C ASP A 76 11.913 5.457 -6.085 1.00 0.00 C ATOM 857 O ASP A 76 11.636 5.430 -4.886 1.00 0.00 O ATOM 858 CB ASP A 76 9.780 6.758 -6.461 1.00 0.00 C ATOM 859 CG ASP A 76 9.064 8.010 -6.978 1.00 0.00 C ATOM 860 OD1 ASP A 76 9.529 8.659 -7.947 1.00 0.00 O ATOM 861 OD2 ASP A 76 8.015 8.366 -6.403 1.00 0.00 O ATOM 0 H ASP A 76 10.612 5.182 -8.535 1.00 0.00 H new ATOM 0 HA ASP A 76 11.751 7.416 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.156 5.895 -6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.833 6.828 -5.375 1.00 0.00 H new ATOM 866 N GLN A 77 12.792 4.609 -6.646 1.00 0.00 N ATOM 867 CA GLN A 77 13.457 3.520 -5.931 1.00 0.00 C ATOM 868 C GLN A 77 13.977 3.990 -4.566 1.00 0.00 C ATOM 869 O GLN A 77 13.532 3.502 -3.525 1.00 0.00 O ATOM 870 CB GLN A 77 14.608 2.910 -6.755 1.00 0.00 C ATOM 871 CG GLN A 77 14.189 2.001 -7.924 1.00 0.00 C ATOM 872 CD GLN A 77 15.348 1.121 -8.419 1.00 0.00 C ATOM 873 OE1 GLN A 77 16.528 1.413 -8.199 1.00 0.00 O ATOM 874 NE2 GLN A 77 15.047 0.012 -9.068 1.00 0.00 N ATOM 0 H GLN A 77 13.061 4.667 -7.628 1.00 0.00 H new ATOM 0 HA GLN A 77 12.709 2.743 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.216 3.723 -7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.245 2.335 -6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.361 1.366 -7.609 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.824 2.615 -8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.071 -0.225 -9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.790 -0.608 -9.390 1.00 0.00 H new ATOM 883 N ASP A 78 14.929 4.930 -4.559 1.00 0.00 N ATOM 884 CA ASP A 78 15.509 5.467 -3.319 1.00 0.00 C ATOM 885 C ASP A 78 14.603 6.572 -2.743 1.00 0.00 C ATOM 886 O ASP A 78 14.683 6.882 -1.554 1.00 0.00 O ATOM 887 CB ASP A 78 16.962 5.953 -3.540 1.00 0.00 C ATOM 888 CG ASP A 78 18.048 4.871 -3.330 1.00 0.00 C ATOM 889 OD1 ASP A 78 17.801 3.653 -3.472 1.00 0.00 O ATOM 890 OD2 ASP A 78 19.206 5.223 -3.007 1.00 0.00 O ATOM 0 H ASP A 78 15.319 5.340 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 78 15.562 4.665 -2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.049 6.343 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.160 6.783 -2.861 1.00 0.00 H new ATOM 895 N GLY A 79 13.684 7.112 -3.546 1.00 0.00 N ATOM 896 CA GLY A 79 12.694 8.126 -3.219 1.00 0.00 C ATOM 897 C GLY A 79 11.811 7.764 -2.027 1.00 0.00 C ATOM 898 O GLY A 79 12.041 8.266 -0.925 1.00 0.00 O ATOM 0 H GLY A 79 13.612 6.823 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.206 9.065 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.061 8.296 -4.090 1.00 0.00 H new ATOM 902 N THR A 80 10.787 6.933 -2.230 1.00 0.00 N ATOM 903 CA THR A 80 9.829 6.580 -1.179 1.00 0.00 C ATOM 904 C THR A 80 9.340 5.157 -1.422 1.00 0.00 C ATOM 905 O THR A 80 9.217 4.759 -2.580 1.00 0.00 O ATOM 906 CB THR A 80 8.616 7.530 -1.209 1.00 0.00 C ATOM 907 OG1 THR A 80 8.936 8.845 -1.617 1.00 0.00 O ATOM 908 CG2 THR A 80 7.992 7.680 0.180 1.00 0.00 C ATOM 0 H THR A 80 10.598 6.486 -3.127 1.00 0.00 H new ATOM 0 HA THR A 80 10.320 6.662 -0.210 1.00 0.00 H new ATOM 0 HB THR A 80 7.937 7.068 -1.925 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.125 9.394 -1.616 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.139 8.356 0.125 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.660 6.705 0.537 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.732 8.086 0.870 1.00 0.00 H new ATOM 916 N ILE A 81 9.002 4.395 -0.374 1.00 0.00 N ATOM 917 CA ILE A 81 8.574 3.016 -0.568 1.00 0.00 C ATOM 918 C ILE A 81 7.598 2.625 0.557 1.00 0.00 C ATOM 919 O ILE A 81 7.729 3.095 1.697 1.00 0.00 O ATOM 920 CB ILE A 81 9.856 2.139 -0.620 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.594 0.862 -1.432 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.475 1.887 0.768 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.709 -0.183 -1.424 1.00 0.00 C ATOM 0 H ILE A 81 9.018 4.708 0.597 1.00 0.00 H new ATOM 0 HA ILE A 81 8.029 2.872 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 81 10.628 2.699 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.685 0.396 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.399 1.147 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.366 1.269 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.746 2.839 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.751 1.374 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.410 -1.038 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.619 0.253 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.894 -0.510 -0.401 1.00 0.00 H new ATOM 935 N ILE A 82 6.634 1.739 0.271 1.00 0.00 N ATOM 936 CA ILE A 82 5.638 1.269 1.238 1.00 0.00 C ATOM 937 C ILE A 82 5.529 -0.248 1.097 1.00 0.00 C ATOM 938 O ILE A 82 5.029 -0.740 0.089 1.00 0.00 O ATOM 939 CB ILE A 82 4.259 1.949 1.033 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.356 3.490 0.995 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.265 1.492 2.129 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.057 4.146 0.525 1.00 0.00 C ATOM 0 H ILE A 82 6.524 1.323 -0.654 1.00 0.00 H new ATOM 0 HA ILE A 82 5.958 1.536 2.245 1.00 0.00 H new ATOM 0 HB ILE A 82 3.888 1.633 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.607 3.860 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.169 3.784 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.302 1.978 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.139 0.411 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.654 1.766 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.179 5.229 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.818 3.800 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.247 3.877 1.204 1.00 0.00 H new ATOM 954 N PHE A 83 6.002 -0.995 2.088 1.00 0.00 N ATOM 955 CA PHE A 83 5.780 -2.433 2.196 1.00 0.00 C ATOM 956 C PHE A 83 4.434 -2.656 2.907 1.00 0.00 C ATOM 957 O PHE A 83 4.096 -1.897 3.822 1.00 0.00 O ATOM 958 CB PHE A 83 6.944 -3.053 2.990 1.00 0.00 C ATOM 959 CG PHE A 83 8.325 -2.959 2.361 1.00 0.00 C ATOM 960 CD1 PHE A 83 9.056 -1.755 2.432 1.00 0.00 C ATOM 961 CD2 PHE A 83 8.921 -4.092 1.776 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.386 -1.702 1.980 1.00 0.00 C ATOM 963 CE2 PHE A 83 10.252 -4.031 1.320 1.00 0.00 C ATOM 964 CZ PHE A 83 10.989 -2.844 1.433 1.00 0.00 C ATOM 0 H PHE A 83 6.560 -0.613 2.852 1.00 0.00 H new ATOM 0 HA PHE A 83 5.744 -2.908 1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.982 -2.574 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.718 -4.106 3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.591 -0.868 2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.358 -5.008 1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.944 -0.780 2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.708 -4.905 0.880 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.016 -2.809 1.101 1.00 0.00 H new ATOM 974 N PHE A 84 3.676 -3.707 2.579 1.00 0.00 N ATOM 975 CA PHE A 84 2.517 -4.154 3.354 1.00 0.00 C ATOM 976 C PHE A 84 2.344 -5.671 3.218 1.00 0.00 C ATOM 977 O PHE A 84 2.913 -6.298 2.324 1.00 0.00 O ATOM 978 CB PHE A 84 1.234 -3.396 2.939 1.00 0.00 C ATOM 979 CG PHE A 84 0.637 -3.795 1.596 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.168 -3.292 0.389 1.00 0.00 C ATOM 981 CD2 PHE A 84 -0.459 -4.683 1.553 1.00 0.00 C ATOM 982 CE1 PHE A 84 0.644 -3.724 -0.842 1.00 0.00 C ATOM 983 CE2 PHE A 84 -0.991 -5.093 0.318 1.00 0.00 C ATOM 984 CZ PHE A 84 -0.418 -4.642 -0.881 1.00 0.00 C ATOM 0 H PHE A 84 3.854 -4.280 1.754 1.00 0.00 H new ATOM 0 HA PHE A 84 2.696 -3.924 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.479 -3.547 3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.456 -2.329 2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.976 -2.576 0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.891 -5.049 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.061 -3.347 -1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.843 -5.757 0.292 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.792 -4.999 -1.829 1.00 0.00 H new ATOM 994 N LYS A 85 1.542 -6.262 4.106 1.00 0.00 N ATOM 995 CA LYS A 85 1.053 -7.634 3.994 1.00 0.00 C ATOM 996 C LYS A 85 -0.205 -7.712 4.839 1.00 0.00 C ATOM 997 O LYS A 85 -0.162 -7.368 6.024 1.00 0.00 O ATOM 998 CB LYS A 85 2.108 -8.630 4.504 1.00 0.00 C ATOM 999 CG LYS A 85 2.401 -9.807 3.561 1.00 0.00 C ATOM 1000 CD LYS A 85 1.310 -10.873 3.502 1.00 0.00 C ATOM 1001 CE LYS A 85 0.366 -10.602 2.330 1.00 0.00 C ATOM 1002 NZ LYS A 85 -0.714 -11.594 2.184 1.00 0.00 N ATOM 0 H LYS A 85 1.207 -5.786 4.944 1.00 0.00 H new ATOM 0 HA LYS A 85 0.847 -7.892 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.037 -8.090 4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.777 -9.027 5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.561 -9.417 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.333 -10.279 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.761 -11.859 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.748 -10.880 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.077 -9.614 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.947 -10.575 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.289 -11.361 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.302 -12.541 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.314 -11.581 3.033 1.00 0.00 H new ATOM 1016 N ALA A 86 -1.315 -8.130 4.244 1.00 0.00 N ATOM 1017 CA ALA A 86 -2.464 -8.615 4.981 1.00 0.00 C ATOM 1018 C ALA A 86 -2.201 -10.048 5.422 1.00 0.00 C ATOM 1019 O ALA A 86 -1.976 -10.908 4.568 1.00 0.00 O ATOM 1020 CB ALA A 86 -3.699 -8.579 4.088 1.00 0.00 C ATOM 0 H ALA A 86 -1.439 -8.140 3.232 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.633 -7.983 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.562 -8.944 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.884 -7.555 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.536 -9.212 3.216 1.00 0.00 H new ATOM 1026 N GLU A 87 -2.308 -10.328 6.713 1.00 0.00 N ATOM 1027 CA GLU A 87 -2.366 -11.672 7.270 1.00 0.00 C ATOM 1028 C GLU A 87 -3.663 -11.725 8.066 1.00 0.00 C ATOM 1029 O GLU A 87 -3.828 -10.972 9.030 1.00 0.00 O ATOM 1030 CB GLU A 87 -1.126 -11.942 8.141 1.00 0.00 C ATOM 1031 CG GLU A 87 0.008 -12.610 7.347 1.00 0.00 C ATOM 1032 CD GLU A 87 -0.127 -14.136 7.190 1.00 0.00 C ATOM 1033 OE1 GLU A 87 -1.168 -14.716 7.577 1.00 0.00 O ATOM 1034 OE2 GLU A 87 0.842 -14.773 6.714 1.00 0.00 O ATOM 0 H GLU A 87 -2.359 -9.600 7.426 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.359 -12.446 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.768 -11.002 8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.405 -12.580 8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.053 -12.159 6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.955 -12.392 7.840 1.00 0.00 H new ATOM 1041 N GLY A 88 -4.606 -12.567 7.646 1.00 0.00 N ATOM 1042 CA GLY A 88 -5.858 -12.796 8.339 1.00 0.00 C ATOM 1043 C GLY A 88 -6.802 -11.603 8.263 1.00 0.00 C ATOM 1044 O GLY A 88 -7.565 -11.470 7.306 1.00 0.00 O ATOM 0 H GLY A 88 -4.511 -13.119 6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.350 -13.670 7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.653 -13.025 9.385 1.00 0.00 H new ATOM 1048 N GLN A 89 -6.796 -10.769 9.305 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.641 -9.588 9.481 1.00 0.00 C ATOM 1050 C GLN A 89 -6.811 -8.412 10.012 1.00 0.00 C ATOM 1051 O GLN A 89 -7.380 -7.456 10.530 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.869 -9.930 10.352 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.979 -10.661 9.572 1.00 0.00 C ATOM 1054 CD GLN A 89 -10.586 -9.837 8.431 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -10.902 -8.657 8.577 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -10.768 -10.419 7.261 1.00 0.00 N ATOM 0 H GLN A 89 -6.164 -10.909 10.094 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.036 -9.268 8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.551 -10.552 11.189 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.275 -9.011 10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.572 -11.586 9.162 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.772 -10.941 10.266 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.509 -11.397 7.132 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.168 -9.891 6.485 1.00 0.00 H new ATOM 1065 N THR A 90 -5.491 -8.439 9.830 1.00 0.00 N ATOM 1066 CA THR A 90 -4.567 -7.363 10.160 1.00 0.00 C ATOM 1067 C THR A 90 -3.760 -7.048 8.894 1.00 0.00 C ATOM 1068 O THR A 90 -3.508 -7.944 8.083 1.00 0.00 O ATOM 1069 CB THR A 90 -3.667 -7.770 11.350 1.00 0.00 C ATOM 1070 OG1 THR A 90 -4.381 -8.485 12.352 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.034 -6.549 12.030 1.00 0.00 C ATOM 0 H THR A 90 -5.019 -9.250 9.430 1.00 0.00 H new ATOM 0 HA THR A 90 -5.100 -6.467 10.478 1.00 0.00 H new ATOM 0 HB THR A 90 -2.897 -8.408 10.917 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.771 -8.722 13.082 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.410 -6.878 12.861 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.422 -6.007 11.309 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.820 -5.893 12.405 1.00 0.00 H new ATOM 1079 N VAL A 91 -3.341 -5.795 8.722 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.334 -5.380 7.748 1.00 0.00 C ATOM 1081 C VAL A 91 -1.230 -4.700 8.532 1.00 0.00 C ATOM 1082 O VAL A 91 -1.509 -3.820 9.347 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.902 -4.418 6.689 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -1.844 -4.004 5.650 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -4.064 -5.048 5.926 1.00 0.00 C ATOM 0 H VAL A 91 -3.704 -5.018 9.274 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.971 -6.250 7.201 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.238 -3.542 7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.293 -3.325 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.017 -3.503 6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.472 -4.890 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.440 -4.341 5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.721 -5.952 5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.862 -5.302 6.624 1.00 0.00 H new ATOM 1095 N ILE A 92 0.013 -5.099 8.282 1.00 0.00 N ATOM 1096 CA ILE A 92 1.188 -4.514 8.882 1.00 0.00 C ATOM 1097 C ILE A 92 1.844 -3.693 7.765 1.00 0.00 C ATOM 1098 O ILE A 92 2.592 -4.212 6.937 1.00 0.00 O ATOM 1099 CB ILE A 92 2.080 -5.627 9.469 1.00 0.00 C ATOM 1100 CG1 ILE A 92 1.396 -6.643 10.422 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.199 -4.958 10.281 1.00 0.00 C ATOM 1102 CD1 ILE A 92 0.311 -7.571 9.858 1.00 0.00 C ATOM 0 H ILE A 92 0.227 -5.860 7.637 1.00 0.00 H new ATOM 0 HA ILE A 92 0.976 -3.859 9.727 1.00 0.00 H new ATOM 0 HB ILE A 92 2.411 -6.199 8.602 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.177 -7.271 10.851 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.954 -6.079 11.243 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.846 -5.724 10.708 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.785 -4.311 9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.761 -4.364 11.083 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.064 -8.217 10.652 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.509 -6.973 9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.734 -8.183 9.061 1.00 0.00 H new ATOM 1114 N ILE A 93 1.503 -2.411 7.693 1.00 0.00 N ATOM 1115 CA ILE A 93 2.071 -1.452 6.757 1.00 0.00 C ATOM 1116 C ILE A 93 3.444 -1.061 7.314 1.00 0.00 C ATOM 1117 O ILE A 93 3.570 -0.705 8.490 1.00 0.00 O ATOM 1118 CB ILE A 93 1.168 -0.203 6.577 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.353 -0.499 6.543 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.596 0.490 5.267 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.223 0.762 6.578 1.00 0.00 C ATOM 0 H ILE A 93 0.800 -1.999 8.306 1.00 0.00 H new ATOM 0 HA ILE A 93 2.156 -1.898 5.766 1.00 0.00 H new ATOM 0 HB ILE A 93 1.309 0.431 7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.585 -1.065 5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.611 -1.132 7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.981 1.376 5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.644 0.783 5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.466 -0.198 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.275 0.479 6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.020 1.319 7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.993 1.386 5.715 1.00 0.00 H new ATOM 1133 N LYS A 94 4.481 -1.120 6.482 1.00 0.00 N ATOM 1134 CA LYS A 94 5.873 -0.901 6.848 1.00 0.00 C ATOM 1135 C LYS A 94 6.454 0.086 5.835 1.00 0.00 C ATOM 1136 O LYS A 94 6.787 -0.293 4.720 1.00 0.00 O ATOM 1137 CB LYS A 94 6.602 -2.263 6.884 1.00 0.00 C ATOM 1138 CG LYS A 94 6.229 -3.148 8.086 1.00 0.00 C ATOM 1139 CD LYS A 94 6.874 -4.542 7.987 1.00 0.00 C ATOM 1140 CE LYS A 94 6.573 -5.370 9.246 1.00 0.00 C ATOM 1141 NZ LYS A 94 6.592 -6.833 9.040 1.00 0.00 N ATOM 0 H LYS A 94 4.366 -1.331 5.491 1.00 0.00 H new ATOM 0 HA LYS A 94 5.990 -0.470 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.380 -2.806 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.677 -2.086 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.549 -2.663 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.145 -3.251 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.497 -5.061 7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.952 -4.441 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.302 -5.115 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.593 -5.083 9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.668 -7.312 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.714 -7.128 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.407 -7.090 8.447 1.00 0.00 H new ATOM 1155 N TYR A 95 6.527 1.374 6.163 1.00 0.00 N ATOM 1156 CA TYR A 95 6.842 2.450 5.208 1.00 0.00 C ATOM 1157 C TYR A 95 8.047 3.256 5.690 1.00 0.00 C ATOM 1158 O TYR A 95 8.423 3.150 6.858 1.00 0.00 O ATOM 1159 CB TYR A 95 5.612 3.350 5.052 1.00 0.00 C ATOM 1160 CG TYR A 95 5.104 3.910 6.371 1.00 0.00 C ATOM 1161 CD1 TYR A 95 5.594 5.135 6.861 1.00 0.00 C ATOM 1162 CD2 TYR A 95 4.189 3.161 7.137 1.00 0.00 C ATOM 1163 CE1 TYR A 95 5.214 5.587 8.138 1.00 0.00 C ATOM 1164 CE2 TYR A 95 3.830 3.592 8.427 1.00 0.00 C ATOM 1165 CZ TYR A 95 4.349 4.805 8.936 1.00 0.00 C ATOM 1166 OH TYR A 95 4.110 5.166 10.227 1.00 0.00 O ATOM 0 H TYR A 95 6.368 1.711 7.112 1.00 0.00 H new ATOM 0 HA TYR A 95 7.098 2.019 4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.858 4.176 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.813 2.782 4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.263 5.729 6.256 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.763 2.255 6.733 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.584 6.532 8.508 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.159 2.997 9.028 1.00 0.00 H new ATOM 0 HH TYR A 95 3.493 4.525 10.637 1.00 0.00 H new ATOM 1176 N THR A 96 8.662 4.058 4.820 1.00 0.00 N ATOM 1177 CA THR A 96 9.748 4.955 5.194 1.00 0.00 C ATOM 1178 C THR A 96 9.835 6.106 4.187 1.00 0.00 C ATOM 1179 O THR A 96 9.368 5.995 3.051 1.00 0.00 O ATOM 1180 CB THR A 96 11.071 4.165 5.321 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.077 4.992 5.860 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.577 3.577 4.002 1.00 0.00 C ATOM 0 H THR A 96 8.417 4.101 3.831 1.00 0.00 H new ATOM 0 HA THR A 96 9.551 5.396 6.171 1.00 0.00 H new ATOM 0 HB THR A 96 10.849 3.326 5.981 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.917 4.843 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.508 3.039 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.832 2.891 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.752 4.382 3.288 1.00 0.00 H new ATOM 1190 N SER A 97 10.487 7.188 4.609 1.00 0.00 N ATOM 1191 CA SER A 97 10.853 8.341 3.799 1.00 0.00 C ATOM 1192 C SER A 97 12.373 8.381 3.551 1.00 0.00 C ATOM 1193 O SER A 97 12.896 9.383 3.066 1.00 0.00 O ATOM 1194 CB SER A 97 10.311 9.604 4.489 1.00 0.00 C ATOM 1195 OG SER A 97 10.607 9.631 5.883 1.00 0.00 O ATOM 0 H SER A 97 10.789 7.286 5.578 1.00 0.00 H new ATOM 0 HA SER A 97 10.404 8.276 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.738 10.487 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.231 9.657 4.348 1.00 0.00 H new ATOM 0 HG SER A 97 10.245 10.451 6.278 1.00 0.00 H new ATOM 1201 N GLN A 98 13.094 7.318 3.939 1.00 0.00 N ATOM 1202 CA GLN A 98 14.545 7.151 3.842 1.00 0.00 C ATOM 1203 C GLN A 98 14.807 5.658 3.739 1.00 0.00 C ATOM 1204 O GLN A 98 14.817 4.894 4.708 1.00 0.00 O ATOM 1205 CB GLN A 98 15.363 7.736 5.004 1.00 0.00 C ATOM 1206 CG GLN A 98 14.490 7.813 6.238 1.00 0.00 C ATOM 1207 CD GLN A 98 15.193 8.189 7.537 1.00 0.00 C ATOM 1208 OE1 GLN A 98 16.405 8.398 7.599 1.00 0.00 O ATOM 1209 NE2 GLN A 98 14.431 8.271 8.613 1.00 0.00 N ATOM 0 H GLN A 98 12.646 6.502 4.355 1.00 0.00 H new ATOM 0 HA GLN A 98 14.876 7.715 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 98 16.236 7.113 5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.731 8.728 4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.699 8.540 6.053 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.007 6.846 6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.429 8.095 8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.845 8.511 9.514 1.00 0.00 H new ATOM 1218 N ARG A 99 15.065 5.319 2.499 1.00 0.00 N ATOM 1219 CA ARG A 99 15.405 4.024 1.911 1.00 0.00 C ATOM 1220 C ARG A 99 16.432 3.303 2.765 1.00 0.00 C ATOM 1221 O ARG A 99 16.248 2.137 3.121 1.00 0.00 O ATOM 1222 CB ARG A 99 15.967 4.295 0.501 1.00 0.00 C ATOM 1223 CG ARG A 99 16.467 3.082 -0.306 1.00 0.00 C ATOM 1224 CD ARG A 99 15.390 2.358 -1.138 1.00 0.00 C ATOM 1225 NE ARG A 99 15.938 1.935 -2.439 1.00 0.00 N ATOM 1226 CZ ARG A 99 15.455 1.052 -3.316 1.00 0.00 C ATOM 1227 NH1 ARG A 99 14.213 0.609 -3.178 1.00 0.00 N ATOM 1228 NH2 ARG A 99 16.225 0.628 -4.315 1.00 0.00 N ATOM 0 H ARG A 99 15.040 6.035 1.773 1.00 0.00 H new ATOM 0 HA ARG A 99 14.524 3.385 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.191 4.791 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.793 5.000 0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 99 17.259 3.414 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 99 16.913 2.366 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 99 15.024 1.489 -0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.538 3.019 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 99 16.814 2.382 -2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.635 0.943 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.835 -0.066 -3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.179 0.978 -4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 99 15.861 -0.047 -4.988 1.00 0.00 H new ATOM 1242 N ASN A 100 17.509 4.013 3.093 1.00 0.00 N ATOM 1243 CA ASN A 100 18.639 3.472 3.845 1.00 0.00 C ATOM 1244 C ASN A 100 18.395 3.286 5.327 1.00 0.00 C ATOM 1245 O ASN A 100 19.316 2.915 6.054 1.00 0.00 O ATOM 1246 CB ASN A 100 19.960 4.199 3.568 1.00 0.00 C ATOM 1247 CG ASN A 100 20.027 5.672 3.919 1.00 0.00 C ATOM 1248 OD1 ASN A 100 20.536 6.467 3.137 1.00 0.00 O ATOM 1249 ND2 ASN A 100 19.512 6.060 5.063 1.00 0.00 N ATOM 0 H ASN A 100 17.623 4.995 2.840 1.00 0.00 H new ATOM 0 HA ASN A 100 18.741 2.462 3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 100 20.750 3.685 4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 100 20.187 4.094 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.529 7.047 5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 100 19.095 5.375 5.693 1.00 0.00 H new ATOM 1256 N THR A 101 17.186 3.554 5.793 1.00 0.00 N ATOM 1257 CA THR A 101 16.821 3.225 7.161 1.00 0.00 C ATOM 1258 C THR A 101 15.645 2.253 7.192 1.00 0.00 C ATOM 1259 O THR A 101 14.969 2.043 6.178 1.00 0.00 O ATOM 1260 CB THR A 101 16.604 4.514 7.954 1.00 0.00 C ATOM 1261 OG1 THR A 101 15.399 5.139 7.573 1.00 0.00 O ATOM 1262 CG2 THR A 101 17.765 5.500 7.782 1.00 0.00 C ATOM 0 H THR A 101 16.445 3.996 5.248 1.00 0.00 H new ATOM 0 HA THR A 101 17.634 2.693 7.655 1.00 0.00 H new ATOM 0 HB THR A 101 16.552 4.230 9.005 1.00 0.00 H new ATOM 0 HG1 THR A 101 15.253 5.011 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 101 17.567 6.400 8.363 1.00 0.00 H new ATOM 0 HG22 THR A 101 18.689 5.039 8.131 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.866 5.763 6.729 1.00 0.00 H new ATOM 1270 N LYS A 102 15.401 1.642 8.352 1.00 0.00 N ATOM 1271 CA LYS A 102 14.335 0.662 8.487 1.00 0.00 C ATOM 1272 C LYS A 102 12.963 1.302 8.293 1.00 0.00 C ATOM 1273 O LYS A 102 12.803 2.525 8.209 1.00 0.00 O ATOM 1274 CB LYS A 102 14.442 -0.104 9.815 1.00 0.00 C ATOM 1275 CG LYS A 102 13.947 0.663 11.051 1.00 0.00 C ATOM 1276 CD LYS A 102 13.656 -0.271 12.229 1.00 0.00 C ATOM 1277 CE LYS A 102 12.456 -1.207 11.976 1.00 0.00 C ATOM 1278 NZ LYS A 102 11.816 -1.578 13.256 1.00 0.00 N ATOM 0 H LYS A 102 15.929 1.812 9.208 1.00 0.00 H new ATOM 0 HA LYS A 102 14.454 -0.073 7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 102 13.873 -1.030 9.729 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.484 -0.383 9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.697 1.396 11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 102 13.043 1.217 10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.541 -0.872 12.436 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.462 0.327 13.120 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.731 -0.713 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.790 -2.104 11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.010 -2.208 13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.507 -2.067 13.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.481 -0.720 13.738 1.00 0.00 H new ATOM 1292 N LEU A 103 11.952 0.447 8.263 1.00 0.00 N ATOM 1293 CA LEU A 103 10.568 0.833 8.109 1.00 0.00 C ATOM 1294 C LEU A 103 9.998 1.257 9.453 1.00 0.00 C ATOM 1295 O LEU A 103 10.391 0.759 10.503 1.00 0.00 O ATOM 1296 CB LEU A 103 9.793 -0.378 7.572 1.00 0.00 C ATOM 1297 CG LEU A 103 10.120 -0.770 6.112 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.175 0.416 5.145 1.00 0.00 C ATOM 1299 CD2 LEU A 103 11.413 -1.554 5.962 1.00 0.00 C ATOM 0 H LEU A 103 12.081 -0.561 8.348 1.00 0.00 H new ATOM 0 HA LEU A 103 10.484 1.672 7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.995 -1.234 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.726 -0.169 7.646 1.00 0.00 H new ATOM 0 HG LEU A 103 9.278 -1.409 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.409 0.058 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.209 0.921 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.946 1.115 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.574 -1.792 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.246 -0.955 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 103 11.347 -2.477 6.537 1.00 0.00 H new ATOM 1311 N LYS A 104 8.987 2.118 9.405 1.00 0.00 N ATOM 1312 CA LYS A 104 8.003 2.273 10.466 1.00 0.00 C ATOM 1313 C LYS A 104 7.118 1.021 10.514 1.00 0.00 C ATOM 1314 O LYS A 104 7.271 0.106 9.698 1.00 0.00 O ATOM 1315 CB LYS A 104 7.168 3.535 10.190 1.00 0.00 C ATOM 1316 CG LYS A 104 7.879 4.850 10.549 1.00 0.00 C ATOM 1317 CD LYS A 104 8.764 5.386 9.418 1.00 0.00 C ATOM 1318 CE LYS A 104 9.357 6.753 9.772 1.00 0.00 C ATOM 1319 NZ LYS A 104 10.529 6.656 10.665 1.00 0.00 N ATOM 0 H LYS A 104 8.827 2.739 8.612 1.00 0.00 H new ATOM 0 HA LYS A 104 8.492 2.386 11.433 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.900 3.556 9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.237 3.472 10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.132 5.602 10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.491 4.694 11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.569 4.679 9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.178 5.468 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.646 7.267 8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.591 7.363 10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.888 7.610 10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.251 6.191 11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.274 6.098 10.201 1.00 0.00 H new ATOM 1333 N ALA A 105 6.151 0.992 11.429 1.00 0.00 N ATOM 1334 CA ALA A 105 5.097 -0.005 11.482 1.00 0.00 C ATOM 1335 C ALA A 105 3.789 0.702 11.817 1.00 0.00 C ATOM 1336 O ALA A 105 3.671 1.310 12.883 1.00 0.00 O ATOM 1337 CB ALA A 105 5.419 -1.087 12.518 1.00 0.00 C ATOM 0 H ALA A 105 6.082 1.685 12.174 1.00 0.00 H new ATOM 0 HA ALA A 105 5.009 -0.504 10.517 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.614 -1.822 12.539 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.354 -1.580 12.251 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.518 -0.630 13.503 1.00 0.00 H new ATOM 1343 N LYS A 106 2.802 0.601 10.926 1.00 0.00 N ATOM 1344 CA LYS A 106 1.394 0.806 11.236 1.00 0.00 C ATOM 1345 C LYS A 106 0.743 -0.559 11.089 1.00 0.00 C ATOM 1346 O LYS A 106 0.597 -1.036 9.966 1.00 0.00 O ATOM 1347 CB LYS A 106 0.723 1.803 10.269 1.00 0.00 C ATOM 1348 CG LYS A 106 0.472 3.205 10.857 1.00 0.00 C ATOM 1349 CD LYS A 106 -0.914 3.704 10.422 1.00 0.00 C ATOM 1350 CE LYS A 106 -1.088 5.229 10.374 1.00 0.00 C ATOM 1351 NZ LYS A 106 -0.967 5.889 11.687 1.00 0.00 N ATOM 0 H LYS A 106 2.967 0.369 9.947 1.00 0.00 H new ATOM 0 HA LYS A 106 1.284 1.225 12.236 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.348 1.903 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -0.230 1.386 9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.533 3.171 11.945 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.242 3.897 10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.131 3.301 9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.658 3.293 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.342 5.648 9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.066 5.459 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.096 6.915 11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.695 5.518 12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.025 5.701 12.085 1.00 0.00 H new ATOM 1365 N ALA A 107 0.392 -1.207 12.192 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.582 -2.284 12.149 1.00 0.00 C ATOM 1367 C ALA A 107 -1.975 -1.662 12.208 1.00 0.00 C ATOM 1368 O ALA A 107 -2.191 -0.768 13.028 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.368 -3.220 13.330 1.00 0.00 C ATOM 0 H ALA A 107 0.765 -1.006 13.120 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.472 -2.864 11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.101 -4.026 13.293 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.636 -3.641 13.283 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.486 -2.665 14.260 1.00 0.00 H new ATOM 1375 N LEU A 108 -2.898 -2.128 11.372 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.327 -1.828 11.424 1.00 0.00 C ATOM 1377 C LEU A 108 -5.060 -3.150 11.244 1.00 0.00 C ATOM 1378 O LEU A 108 -4.523 -4.061 10.608 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.761 -0.928 10.249 1.00 0.00 C ATOM 1380 CG LEU A 108 -4.343 0.547 10.240 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -4.655 1.298 11.537 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -2.880 0.740 9.852 1.00 0.00 C ATOM 0 H LEU A 108 -2.660 -2.755 10.603 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.548 -1.324 12.365 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.383 -1.381 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.849 -0.961 10.196 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.967 0.993 9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.327 2.334 11.446 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.729 1.272 11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.131 0.824 12.367 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.638 1.803 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.243 0.216 10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.713 0.339 8.852 1.00 0.00 H new ATOM 1394 N THR A 109 -6.315 -3.245 11.679 1.00 0.00 N ATOM 1395 CA THR A 109 -7.163 -4.315 11.173 1.00 0.00 C ATOM 1396 C THR A 109 -7.490 -4.059 9.699 1.00 0.00 C ATOM 1397 O THR A 109 -7.529 -2.911 9.239 1.00 0.00 O ATOM 1398 CB THR A 109 -8.429 -4.495 12.020 1.00 0.00 C ATOM 1399 OG1 THR A 109 -8.959 -3.265 12.472 1.00 0.00 O ATOM 1400 CG2 THR A 109 -8.140 -5.386 13.220 1.00 0.00 C ATOM 0 H THR A 109 -6.752 -2.619 12.355 1.00 0.00 H new ATOM 0 HA THR A 109 -6.616 -5.255 11.248 1.00 0.00 H new ATOM 0 HB THR A 109 -9.173 -4.962 11.374 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.764 -3.432 13.005 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.048 -5.505 13.812 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.801 -6.363 12.875 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.364 -4.929 13.834 1.00 0.00 H new ATOM 1408 N LEU A 110 -7.798 -5.125 8.954 1.00 0.00 N ATOM 1409 CA LEU A 110 -8.351 -4.990 7.611 1.00 0.00 C ATOM 1410 C LEU A 110 -9.660 -4.192 7.625 1.00 0.00 C ATOM 1411 O LEU A 110 -9.961 -3.512 6.642 1.00 0.00 O ATOM 1412 CB LEU A 110 -8.564 -6.378 6.974 1.00 0.00 C ATOM 1413 CG LEU A 110 -7.359 -6.887 6.167 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -7.635 -8.301 5.656 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -7.077 -6.032 4.921 1.00 0.00 C ATOM 0 H LEU A 110 -7.672 -6.089 9.262 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.633 -4.437 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.791 -7.097 7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.435 -6.336 6.320 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.506 -6.846 6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.777 -8.655 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.808 -8.966 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.517 -8.291 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.216 -6.437 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.948 -6.046 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.867 -5.006 5.224 1.00 0.00 H new ATOM 1427 N SER A 111 -10.439 -4.259 8.708 1.00 0.00 N ATOM 1428 CA SER A 111 -11.629 -3.436 8.878 1.00 0.00 C ATOM 1429 C SER A 111 -11.273 -1.949 8.971 1.00 0.00 C ATOM 1430 O SER A 111 -11.951 -1.165 8.313 1.00 0.00 O ATOM 1431 CB SER A 111 -12.464 -3.892 10.081 1.00 0.00 C ATOM 1432 OG SER A 111 -13.794 -3.409 9.973 1.00 0.00 O ATOM 0 H SER A 111 -10.258 -4.888 9.490 1.00 0.00 H new ATOM 0 HA SER A 111 -12.245 -3.568 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.469 -4.981 10.136 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.012 -3.528 11.004 1.00 0.00 H new ATOM 0 HG SER A 111 -14.315 -3.709 10.747 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.238 -1.551 9.730 1.00 0.00 N ATOM 1439 CA GLN A 112 -9.843 -0.149 9.879 1.00 0.00 C ATOM 1440 C GLN A 112 -9.675 0.486 8.496 1.00 0.00 C ATOM 1441 O GLN A 112 -10.372 1.445 8.160 1.00 0.00 O ATOM 1442 CB GLN A 112 -8.538 -0.020 10.699 1.00 0.00 C ATOM 1443 CG GLN A 112 -8.706 0.656 12.069 1.00 0.00 C ATOM 1444 CD GLN A 112 -8.384 -0.290 13.219 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -7.244 -0.716 13.412 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -9.378 -0.648 14.007 1.00 0.00 N ATOM 0 H GLN A 112 -9.653 -2.199 10.257 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.627 0.378 10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.119 -1.015 10.849 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -7.813 0.547 10.116 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.055 1.528 12.125 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.730 1.016 12.172 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.318 -0.289 13.838 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.208 -1.284 14.786 1.00 0.00 H new ATOM 1455 N LEU A 113 -8.803 -0.111 7.683 1.00 0.00 N ATOM 1456 CA LEU A 113 -8.472 0.329 6.331 1.00 0.00 C ATOM 1457 C LEU A 113 -9.716 0.367 5.443 1.00 0.00 C ATOM 1458 O LEU A 113 -9.935 1.332 4.712 1.00 0.00 O ATOM 1459 CB LEU A 113 -7.440 -0.659 5.755 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.013 -0.404 6.272 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -5.176 -1.680 6.162 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -5.324 0.693 5.455 1.00 0.00 C ATOM 0 H LEU A 113 -8.289 -0.947 7.961 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.064 1.339 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.737 -1.676 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -7.445 -0.589 4.667 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.090 -0.091 7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.169 -1.487 6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.635 -2.469 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.127 -1.994 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.317 0.855 5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.269 0.388 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.895 1.618 5.533 1.00 0.00 H new ATOM 1474 N LYS A 114 -10.556 -0.672 5.500 1.00 0.00 N ATOM 1475 CA LYS A 114 -11.809 -0.725 4.749 1.00 0.00 C ATOM 1476 C LYS A 114 -12.744 0.413 5.164 1.00 0.00 C ATOM 1477 O LYS A 114 -13.501 0.923 4.337 1.00 0.00 O ATOM 1478 CB LYS A 114 -12.456 -2.093 4.993 1.00 0.00 C ATOM 1479 CG LYS A 114 -13.806 -2.291 4.291 1.00 0.00 C ATOM 1480 CD LYS A 114 -14.546 -3.480 4.906 1.00 0.00 C ATOM 1481 CE LYS A 114 -15.882 -3.694 4.189 1.00 0.00 C ATOM 1482 NZ LYS A 114 -16.735 -4.652 4.917 1.00 0.00 N ATOM 0 H LYS A 114 -10.383 -1.500 6.070 1.00 0.00 H new ATOM 0 HA LYS A 114 -11.611 -0.598 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.769 -2.871 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -12.595 -2.229 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -14.410 -1.388 4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.650 -2.461 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.934 -4.379 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -14.718 -3.302 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -16.402 -2.741 4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.700 -4.061 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -17.632 -4.776 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.247 -5.568 4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.928 -4.289 5.872 1.00 0.00 H new ATOM 1496 N LYS A 115 -12.810 0.764 6.445 1.00 0.00 N ATOM 1497 CA LYS A 115 -13.749 1.778 6.903 1.00 0.00 C ATOM 1498 C LYS A 115 -13.203 3.183 6.661 1.00 0.00 C ATOM 1499 O LYS A 115 -14.005 4.100 6.556 1.00 0.00 O ATOM 1500 CB LYS A 115 -14.162 1.493 8.349 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.620 1.916 8.617 1.00 0.00 C ATOM 1502 CD LYS A 115 -16.312 1.024 9.658 1.00 0.00 C ATOM 1503 CE LYS A 115 -16.654 -0.377 9.128 1.00 0.00 C ATOM 1504 NZ LYS A 115 -17.378 -1.165 10.149 1.00 0.00 N ATOM 0 H LYS A 115 -12.227 0.363 7.179 1.00 0.00 H new ATOM 0 HA LYS A 115 -14.665 1.731 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -14.047 0.429 8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.497 2.025 9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.637 2.950 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.182 1.882 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.665 0.927 10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.228 1.512 9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -17.264 -0.291 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.739 -0.896 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.598 -2.107 9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.784 -1.264 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.262 -0.678 10.401 1.00 0.00 H new ATOM 1518 N GLU A 116 -11.894 3.336 6.468 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.260 4.580 6.045 1.00 0.00 C ATOM 1520 C GLU A 116 -11.414 4.799 4.537 1.00 0.00 C ATOM 1521 O GLU A 116 -11.866 5.861 4.110 1.00 0.00 O ATOM 1522 CB GLU A 116 -9.782 4.549 6.453 1.00 0.00 C ATOM 1523 CG GLU A 116 -9.653 4.800 7.955 1.00 0.00 C ATOM 1524 CD GLU A 116 -8.234 4.577 8.469 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -7.375 5.471 8.334 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -8.007 3.520 9.112 1.00 0.00 O ATOM 0 H GLU A 116 -11.228 2.576 6.606 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.752 5.419 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.345 3.584 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.227 5.306 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.959 5.823 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.337 4.140 8.490 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.078 3.807 3.707 1.00 0.00 N ATOM 1534 CA PHE A 117 -10.898 3.991 2.264 1.00 0.00 C ATOM 1535 C PHE A 117 -11.801 3.076 1.438 1.00 0.00 C ATOM 1536 O PHE A 117 -11.541 2.837 0.267 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.418 3.823 1.897 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.475 4.585 2.801 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.450 5.990 2.756 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -7.686 3.896 3.742 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -7.632 6.706 3.645 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -6.894 4.617 4.650 1.00 0.00 C ATOM 1543 CZ PHE A 117 -6.863 6.020 4.601 1.00 0.00 C ATOM 0 H PHE A 117 -10.922 2.848 4.019 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.204 5.007 2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.163 2.764 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.268 4.154 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.060 6.518 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.690 2.816 3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.594 7.784 3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.307 4.091 5.388 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.249 6.572 5.297 1.00 0.00 H new ATOM 1553 N TYR A 118 -12.860 2.518 2.024 1.00 0.00 N ATOM 1554 CA TYR A 118 -13.838 1.715 1.294 1.00 0.00 C ATOM 1555 C TYR A 118 -15.225 1.871 1.928 1.00 0.00 C ATOM 1556 O TYR A 118 -16.011 0.920 1.970 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.329 0.261 1.214 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.711 -0.547 -0.017 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.304 -0.136 -1.305 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.335 -1.798 0.150 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.453 -1.002 -2.411 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.497 -2.660 -0.945 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.037 -2.279 -2.225 1.00 0.00 C ATOM 1564 OH TYR A 118 -14.239 -3.143 -3.258 1.00 0.00 O ATOM 0 H TYR A 118 -13.063 2.611 3.019 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.951 2.062 0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.241 0.281 1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.692 -0.272 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.876 0.846 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -14.691 -2.095 1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -13.124 -0.692 -3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -14.975 -3.619 -0.809 1.00 0.00 H new ATOM 0 HH TYR A 118 -14.651 -3.966 -2.920 1.00 0.00 H new ATOM 1574 N GLN A 119 -15.518 3.044 2.515 1.00 0.00 N ATOM 1575 CA GLN A 119 -16.749 3.310 3.223 1.00 0.00 C ATOM 1576 C GLN A 119 -17.902 3.221 2.211 1.00 0.00 C ATOM 1577 O GLN A 119 -18.763 2.342 2.321 1.00 0.00 O ATOM 1578 CB GLN A 119 -16.754 4.700 3.890 1.00 0.00 C ATOM 1579 CG GLN A 119 -15.458 5.450 4.239 1.00 0.00 C ATOM 1580 CD GLN A 119 -15.227 6.609 3.270 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -16.110 7.417 2.993 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -14.081 6.654 2.629 1.00 0.00 N ATOM 0 H GLN A 119 -14.881 3.841 2.501 1.00 0.00 H new ATOM 0 HA GLN A 119 -16.859 2.575 4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -17.330 5.357 3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -17.316 4.599 4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -15.515 5.829 5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -14.613 4.763 4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -13.344 5.986 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -13.928 7.357 1.906 1.00 0.00 H new ATOM 1591 N THR A 120 -17.901 4.150 1.243 1.00 0.00 N ATOM 1592 CA THR A 120 -19.028 4.372 0.328 1.00 0.00 C ATOM 1593 C THR A 120 -19.097 3.277 -0.748 1.00 0.00 C ATOM 1594 O THR A 120 -18.216 2.411 -0.822 1.00 0.00 O ATOM 1595 CB THR A 120 -18.983 5.791 -0.291 1.00 0.00 C ATOM 1596 OG1 THR A 120 -18.107 5.845 -1.395 1.00 0.00 O ATOM 1597 CG2 THR A 120 -18.528 6.885 0.682 1.00 0.00 C ATOM 0 H THR A 120 -17.111 4.773 1.073 1.00 0.00 H new ATOM 0 HA THR A 120 -19.947 4.308 0.911 1.00 0.00 H new ATOM 0 HB THR A 120 -20.016 5.982 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 120 -18.102 6.753 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.524 7.848 0.171 1.00 0.00 H new ATOM 0 HG22 THR A 120 -19.213 6.927 1.529 1.00 0.00 H new ATOM 0 HG23 THR A 120 -17.523 6.659 1.039 1.00 0.00 H new ATOM 1605 N ARG A 121 -20.125 3.294 -1.607 1.00 0.00 N ATOM 1606 CA ARG A 121 -20.221 2.389 -2.755 1.00 0.00 C ATOM 1607 C ARG A 121 -19.538 3.002 -3.966 1.00 0.00 C ATOM 1608 O ARG A 121 -18.823 2.291 -4.661 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.699 2.092 -3.058 1.00 0.00 C ATOM 1610 CG ARG A 121 -21.966 0.750 -3.755 1.00 0.00 C ATOM 1611 CD ARG A 121 -21.622 0.681 -5.247 1.00 0.00 C ATOM 1612 NE ARG A 121 -22.302 -0.479 -5.849 1.00 0.00 N ATOM 1613 CZ ARG A 121 -23.081 -0.455 -6.933 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -22.968 0.515 -7.836 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -23.974 -1.422 -7.077 1.00 0.00 N ATOM 0 H ARG A 121 -20.913 3.937 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.716 1.453 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.257 2.114 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.093 2.893 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.399 -0.024 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.022 0.506 -3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -21.932 1.599 -5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.544 0.595 -5.380 1.00 0.00 H new ATOM 0 HE ARG A 121 -22.165 -1.383 -5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.278 1.255 -7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.571 0.519 -8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.051 -2.155 -6.372 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.585 -1.434 -7.893 1.00 0.00 H new ATOM 1629 N SER A 122 -19.723 4.298 -4.224 1.00 0.00 N ATOM 1630 CA SER A 122 -19.085 4.945 -5.366 1.00 0.00 C ATOM 1631 C SER A 122 -17.565 4.806 -5.307 1.00 0.00 C ATOM 1632 O SER A 122 -16.955 4.497 -6.328 1.00 0.00 O ATOM 1633 CB SER A 122 -19.468 6.420 -5.405 1.00 0.00 C ATOM 1634 OG SER A 122 -20.857 6.639 -5.563 1.00 0.00 O ATOM 0 H SER A 122 -20.307 4.915 -3.659 1.00 0.00 H new ATOM 0 HA SER A 122 -19.435 4.451 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.135 6.898 -4.484 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.937 6.904 -6.225 1.00 0.00 H new ATOM 0 HG SER A 122 -21.037 7.602 -5.579 1.00 0.00 H new ATOM 1640 N GLN A 123 -16.968 4.931 -4.118 1.00 0.00 N ATOM 1641 CA GLN A 123 -15.522 4.852 -3.911 1.00 0.00 C ATOM 1642 C GLN A 123 -14.950 3.518 -4.381 1.00 0.00 C ATOM 1643 O GLN A 123 -13.774 3.434 -4.724 1.00 0.00 O ATOM 1644 CB GLN A 123 -15.264 5.043 -2.415 1.00 0.00 C ATOM 1645 CG GLN A 123 -13.848 4.711 -1.915 1.00 0.00 C ATOM 1646 CD GLN A 123 -13.680 5.134 -0.464 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -12.647 5.627 -0.037 1.00 0.00 O ATOM 1648 NE2 GLN A 123 -14.708 4.964 0.346 1.00 0.00 N ATOM 0 H GLN A 123 -17.489 5.093 -3.256 1.00 0.00 H new ATOM 0 HA GLN A 123 -15.027 5.625 -4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -15.481 6.081 -2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -15.974 4.425 -1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -13.664 3.641 -2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -13.109 5.218 -2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -15.572 4.553 -0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -14.638 5.244 1.324 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.770 2.467 -4.403 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.337 1.143 -4.807 1.00 0.00 C ATOM 1659 C LYS A 124 -14.893 1.120 -6.268 1.00 0.00 C ATOM 1660 O LYS A 124 -14.148 0.216 -6.636 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.459 0.134 -4.563 1.00 0.00 C ATOM 1662 CG LYS A 124 -16.974 0.155 -3.113 1.00 0.00 C ATOM 1663 CD LYS A 124 -18.030 -0.931 -2.915 1.00 0.00 C ATOM 1664 CE LYS A 124 -17.307 -2.274 -2.808 1.00 0.00 C ATOM 1665 NZ LYS A 124 -17.992 -3.341 -3.548 1.00 0.00 N ATOM 0 H LYS A 124 -16.754 2.517 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.473 0.866 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.286 0.346 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -16.100 -0.867 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -16.146 -0.002 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.399 1.132 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.612 -0.738 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -18.730 -0.940 -3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -16.291 -2.167 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -17.227 -2.557 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -17.463 -4.230 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -18.953 -3.464 -3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -18.046 -3.086 -4.555 1.00 0.00 H new ATOM 1679 N ARG A 125 -15.332 2.086 -7.084 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.779 2.323 -8.409 1.00 0.00 C ATOM 1681 C ARG A 125 -13.349 2.773 -8.241 1.00 0.00 C ATOM 1682 O ARG A 125 -12.456 2.079 -8.694 1.00 0.00 O ATOM 1683 CB ARG A 125 -15.582 3.384 -9.176 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.683 2.781 -10.037 1.00 0.00 C ATOM 1685 CD ARG A 125 -17.583 1.782 -9.295 1.00 0.00 C ATOM 1686 NE ARG A 125 -18.734 1.384 -10.117 1.00 0.00 N ATOM 1687 CZ ARG A 125 -19.399 0.225 -10.094 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -18.959 -0.806 -9.375 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -20.534 0.124 -10.778 1.00 0.00 N ATOM 0 H ARG A 125 -16.086 2.726 -6.835 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.829 1.403 -8.991 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.024 4.083 -8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -14.905 3.958 -9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.302 3.586 -10.433 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.228 2.279 -10.891 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.004 0.899 -9.025 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.935 2.228 -8.365 1.00 0.00 H new ATOM 0 HE ARG A 125 -19.066 2.077 -10.787 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -18.101 -0.719 -8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.480 -1.683 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -20.883 0.923 -11.308 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -21.056 -0.752 -10.773 1.00 0.00 H new ATOM 1703 N GLU A 126 -13.141 3.929 -7.619 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.855 4.602 -7.592 1.00 0.00 C ATOM 1705 C GLU A 126 -10.753 3.717 -7.027 1.00 0.00 C ATOM 1706 O GLU A 126 -9.682 3.588 -7.601 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.977 5.865 -6.727 1.00 0.00 C ATOM 1708 CG GLU A 126 -12.092 7.123 -7.581 1.00 0.00 C ATOM 1709 CD GLU A 126 -13.225 8.028 -7.104 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -14.408 7.708 -7.401 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -12.947 9.053 -6.447 1.00 0.00 O ATOM 0 H GLU A 126 -13.873 4.428 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.585 4.851 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.852 5.782 -6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.107 5.946 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.151 7.671 -7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -12.263 6.843 -8.620 1.00 0.00 H new ATOM 1718 N VAL A 127 -11.025 3.103 -5.886 1.00 0.00 N ATOM 1719 CA VAL A 127 -10.083 2.211 -5.223 1.00 0.00 C ATOM 1720 C VAL A 127 -9.675 1.097 -6.193 1.00 0.00 C ATOM 1721 O VAL A 127 -8.490 0.893 -6.432 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.710 1.696 -3.918 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.836 0.673 -3.182 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -10.960 2.871 -2.963 1.00 0.00 C ATOM 0 H VAL A 127 -11.910 3.209 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 127 -9.167 2.733 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.638 1.202 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.340 0.353 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.666 -0.190 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.879 1.129 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.405 2.501 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -10.015 3.365 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.639 3.583 -3.432 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.648 0.383 -6.762 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.409 -0.683 -7.735 1.00 0.00 C ATOM 1736 C ASP A 128 -9.817 -0.173 -9.059 1.00 0.00 C ATOM 1737 O ASP A 128 -9.252 -0.951 -9.830 1.00 0.00 O ATOM 1738 CB ASP A 128 -11.742 -1.397 -7.967 1.00 0.00 C ATOM 1739 CG ASP A 128 -11.616 -2.711 -8.725 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -10.629 -3.444 -8.533 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -12.598 -3.067 -9.431 1.00 0.00 O ATOM 0 H ASP A 128 -11.636 0.531 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.661 -1.367 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.212 -1.589 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.407 -0.733 -8.519 1.00 0.00 H new ATOM 1746 N ASP A 129 -9.929 1.125 -9.338 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.342 1.796 -10.492 1.00 0.00 C ATOM 1748 C ASP A 129 -7.847 1.972 -10.278 1.00 0.00 C ATOM 1749 O ASP A 129 -7.068 1.640 -11.165 1.00 0.00 O ATOM 1750 CB ASP A 129 -9.996 3.159 -10.723 1.00 0.00 C ATOM 1751 CG ASP A 129 -9.640 3.707 -12.094 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -10.402 3.400 -13.044 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -8.709 4.522 -12.207 1.00 0.00 O ATOM 0 H ASP A 129 -10.454 1.763 -8.739 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.515 1.179 -11.374 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.078 3.067 -10.634 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.671 3.858 -9.952 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.437 2.394 -9.077 1.00 0.00 N ATOM 1759 CA TYR A 130 -6.039 2.437 -8.665 1.00 0.00 C ATOM 1760 C TYR A 130 -5.425 1.022 -8.726 1.00 0.00 C ATOM 1761 O TYR A 130 -4.240 0.887 -9.036 1.00 0.00 O ATOM 1762 CB TYR A 130 -5.915 3.073 -7.266 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.589 4.431 -7.029 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -6.588 5.448 -8.007 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -7.214 4.694 -5.792 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -7.178 6.701 -7.745 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.826 5.932 -5.525 1.00 0.00 C ATOM 1768 CZ TYR A 130 -7.802 6.951 -6.502 1.00 0.00 C ATOM 1769 OH TYR A 130 -8.355 8.173 -6.249 1.00 0.00 O ATOM 0 H TYR A 130 -8.081 2.719 -8.356 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.474 3.065 -9.354 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.322 2.368 -6.541 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.854 3.183 -7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.130 5.264 -8.968 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -7.223 3.927 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -7.153 7.474 -8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -8.313 6.102 -4.576 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.743 8.176 -5.349 1.00 0.00 H new ATOM 1779 N VAL A 131 -6.194 -0.050 -8.478 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.733 -1.439 -8.665 1.00 0.00 C ATOM 1781 C VAL A 131 -5.559 -1.792 -10.150 1.00 0.00 C ATOM 1782 O VAL A 131 -4.836 -2.735 -10.470 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.706 -2.447 -7.992 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -6.190 -3.892 -8.054 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -6.966 -2.167 -6.509 1.00 0.00 C ATOM 0 H VAL A 131 -7.154 0.020 -8.142 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.758 -1.514 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.624 -2.320 -8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.907 -4.555 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -6.066 -4.190 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.231 -3.958 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.654 -2.914 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.026 -2.213 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.403 -1.175 -6.397 1.00 0.00 H new ATOM 1795 N ALA A 132 -6.195 -1.056 -11.059 1.00 0.00 N ATOM 1796 CA ALA A 132 -6.245 -1.351 -12.482 1.00 0.00 C ATOM 1797 C ALA A 132 -5.604 -0.233 -13.308 1.00 0.00 C ATOM 1798 O ALA A 132 -5.920 -0.119 -14.497 1.00 0.00 O ATOM 1799 CB ALA A 132 -7.696 -1.640 -12.878 1.00 0.00 C ATOM 0 H ALA A 132 -6.707 -0.209 -10.812 1.00 0.00 H new ATOM 0 HA ALA A 132 -5.654 -2.241 -12.698 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.745 -1.863 -13.944 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -8.064 -2.495 -12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -8.313 -0.768 -12.661 1.00 0.00 H new ATOM 1805 N GLY A 133 -4.748 0.579 -12.683 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.861 1.565 -13.290 1.00 0.00 C ATOM 1807 C GLY A 133 -2.455 1.480 -12.685 1.00 0.00 C ATOM 1808 O GLY A 133 -1.698 2.450 -12.744 1.00 0.00 O ATOM 0 H GLY A 133 -4.653 0.561 -11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -3.809 1.400 -14.366 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.266 2.566 -13.140 1.00 0.00 H new ATOM 1812 N LEU A 134 -2.120 0.359 -12.029 1.00 0.00 N ATOM 1813 CA LEU A 134 -0.760 0.041 -11.596 1.00 0.00 C ATOM 1814 C LEU A 134 -0.029 -0.746 -12.688 1.00 0.00 C ATOM 1815 O LEU A 134 -0.639 -1.264 -13.633 1.00 0.00 O ATOM 1816 CB LEU A 134 -0.776 -0.687 -10.233 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.588 -2.002 -10.163 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -0.861 -3.219 -10.732 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -1.931 -2.330 -8.707 1.00 0.00 C ATOM 0 H LEU A 134 -2.800 -0.360 -11.783 1.00 0.00 H new ATOM 0 HA LEU A 134 -0.202 0.965 -11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 134 0.254 -0.906 -9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.172 -0.001 -9.484 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.474 -1.818 -10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.499 -4.098 -10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.626 -3.044 -11.782 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.062 -3.384 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.503 -3.257 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -1.011 -2.446 -8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.524 -1.520 -8.282 1.00 0.00 H new ATOM 1831 N ARG A 135 1.293 -0.835 -12.570 1.00 0.00 N ATOM 1832 CA ARG A 135 2.146 -1.795 -13.259 1.00 0.00 C ATOM 1833 C ARG A 135 2.524 -2.867 -12.247 1.00 0.00 C ATOM 1834 O ARG A 135 2.369 -2.690 -11.037 1.00 0.00 O ATOM 1835 CB ARG A 135 3.402 -1.091 -13.816 1.00 0.00 C ATOM 1836 CG ARG A 135 3.380 -0.916 -15.342 1.00 0.00 C ATOM 1837 CD ARG A 135 3.963 0.435 -15.772 1.00 0.00 C ATOM 1838 NE ARG A 135 4.266 0.462 -17.213 1.00 0.00 N ATOM 1839 CZ ARG A 135 5.449 0.763 -17.769 1.00 0.00 C ATOM 1840 NH1 ARG A 135 6.538 0.922 -17.024 1.00 0.00 N ATOM 1841 NH2 ARG A 135 5.557 0.902 -19.086 1.00 0.00 N ATOM 0 H ARG A 135 1.822 -0.210 -11.962 1.00 0.00 H new ATOM 0 HA ARG A 135 1.626 -2.242 -14.106 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.498 -0.112 -13.347 1.00 0.00 H new ATOM 0 HB3 ARG A 135 4.285 -1.666 -13.537 1.00 0.00 H new ATOM 0 HG2 ARG A 135 3.948 -1.721 -15.808 1.00 0.00 H new ATOM 0 HG3 ARG A 135 2.355 -1.000 -15.702 1.00 0.00 H new ATOM 0 HD2 ARG A 135 3.256 1.229 -15.534 1.00 0.00 H new ATOM 0 HD3 ARG A 135 4.872 0.637 -15.205 1.00 0.00 H new ATOM 0 HE ARG A 135 3.503 0.230 -17.849 1.00 0.00 H new ATOM 0 HH11 ARG A 135 6.483 0.815 -16.011 1.00 0.00 H new ATOM 0 HH12 ARG A 135 7.429 1.151 -17.465 1.00 0.00 H new ATOM 0 HH21 ARG A 135 4.737 0.780 -19.681 1.00 0.00 H new ATOM 0 HH22 ARG A 135 6.460 1.131 -19.502 1.00 0.00 H new ATOM 1855 N THR A 136 3.040 -3.973 -12.746 1.00 0.00 N ATOM 1856 CA THR A 136 3.230 -5.210 -11.994 1.00 0.00 C ATOM 1857 C THR A 136 4.595 -5.836 -12.269 1.00 0.00 C ATOM 1858 O THR A 136 4.946 -6.873 -11.710 1.00 0.00 O ATOM 1859 CB THR A 136 2.110 -6.195 -12.387 1.00 0.00 C ATOM 1860 OG1 THR A 136 1.396 -5.810 -13.558 1.00 0.00 O ATOM 1861 CG2 THR A 136 1.116 -6.394 -11.251 1.00 0.00 C ATOM 0 H THR A 136 3.350 -4.044 -13.715 1.00 0.00 H new ATOM 0 HA THR A 136 3.188 -4.984 -10.929 1.00 0.00 H new ATOM 0 HB THR A 136 2.625 -7.131 -12.602 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.704 -6.476 -13.753 1.00 0.00 H new ATOM 0 HG21 THR A 136 0.341 -7.094 -11.564 1.00 0.00 H new ATOM 0 HG22 THR A 136 1.635 -6.793 -10.379 1.00 0.00 H new ATOM 0 HG23 THR A 136 0.659 -5.438 -10.995 1.00 0.00 H new ATOM 1869 N GLU A 137 5.312 -5.225 -13.196 1.00 0.00 N ATOM 1870 CA GLU A 137 6.564 -5.586 -13.826 1.00 0.00 C ATOM 1871 C GLU A 137 6.813 -4.412 -14.772 1.00 0.00 C ATOM 1872 O GLU A 137 7.112 -4.610 -15.966 1.00 0.00 O ATOM 1873 CB GLU A 137 6.427 -6.944 -14.560 1.00 0.00 C ATOM 1874 CG GLU A 137 7.777 -7.637 -14.791 1.00 0.00 C ATOM 1875 CD GLU A 137 8.195 -8.511 -13.601 1.00 0.00 C ATOM 1876 OE1 GLU A 137 7.703 -9.661 -13.489 1.00 0.00 O ATOM 1877 OE2 GLU A 137 9.053 -8.081 -12.793 1.00 0.00 O ATOM 0 H GLU A 137 4.978 -4.339 -13.575 1.00 0.00 H new ATOM 0 HA GLU A 137 7.394 -5.735 -13.136 1.00 0.00 H new ATOM 0 HB2 GLU A 137 5.781 -7.602 -13.978 1.00 0.00 H new ATOM 0 HB3 GLU A 137 5.937 -6.784 -15.521 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.718 -8.253 -15.688 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.543 -6.883 -14.972 1.00 0.00 H new TER 1884 GLU A 137