USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 873 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 34 GLN : amide:sc= 0.231 X(o=2,f=1.6) USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= 0.0657 USER MOD Set 1.3: A 64 HIS : no HE2:sc= 1.27 K(o=2,f=-3.8!) USER MOD Set 1.4: A 104 TYR OH : rot -158:sc= 0.445 USER MOD Set 2.1: A 77 SER OG : rot 13:sc= 0.507 USER MOD Set 2.2: A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.869 F(o=-1.8,f=-0.87) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 74:sc= 0.16 USER MOD Single : A 41 MET CE :methyl 164:sc=-0.00614 (180deg=-0.227) USER MOD Single : A 44 ASN : amide:sc= 0.661 K(o=0.66,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -0.5 K(o=-0.5,f=-1.9) USER MOD Single : A 69 THR OG1 : rot 82:sc= 1.12 USER MOD Single : A 71 MET CE :methyl -174:sc= -0.667 (180deg=-0.723) USER MOD Single : A 75 GLN : amide:sc= -0.0966 K(o=-0.097,f=-2.4!) USER MOD Single : A 85 THR OG1 : rot -100:sc= 0.0285 USER MOD Single : A 89 SER OG : rot -122:sc= 1.27 USER MOD Single : A 93 GLN : amide:sc= 0.611 K(o=0.61,f=-0.48) USER MOD Single : A 95 GLN : amide:sc= -0.0501 K(o=-0.05,f=-1.5) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 112 THR OG1 : rot 45:sc= 0.138 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 119 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 2.468 24.117 0.621 1.00 0.00 N ATOM 2 CA MET A 23 1.900 25.267 -0.096 1.00 0.00 C ATOM 3 C MET A 23 1.490 24.797 -1.483 1.00 0.00 C ATOM 4 O MET A 23 2.364 24.415 -2.255 1.00 0.00 O ATOM 5 CB MET A 23 2.890 26.439 -0.197 1.00 0.00 C ATOM 6 CG MET A 23 3.218 27.093 1.146 1.00 0.00 C ATOM 7 SD MET A 23 4.277 26.111 2.227 1.00 0.00 S ATOM 8 CE MET A 23 4.631 27.316 3.525 1.00 0.00 C ATOM 0 HA MET A 23 1.039 25.640 0.458 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.814 26.082 -0.651 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.477 27.194 -0.866 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.703 28.051 0.959 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.285 27.304 1.669 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.278 26.863 4.276 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.130 28.182 3.091 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.698 27.631 3.993 1.00 0.00 H new ATOM 20 N LYS A 24 0.189 24.828 -1.798 1.00 0.00 N ATOM 21 CA LYS A 24 -0.419 24.385 -3.056 1.00 0.00 C ATOM 22 C LYS A 24 0.121 23.030 -3.510 1.00 0.00 C ATOM 23 O LYS A 24 1.065 22.962 -4.297 1.00 0.00 O ATOM 24 CB LYS A 24 -0.329 25.503 -4.107 1.00 0.00 C ATOM 25 CG LYS A 24 -1.212 25.285 -5.346 1.00 0.00 C ATOM 26 CD LYS A 24 -0.611 24.492 -6.517 1.00 0.00 C ATOM 27 CE LYS A 24 0.745 25.048 -6.970 1.00 0.00 C ATOM 28 NZ LYS A 24 1.171 24.460 -8.253 1.00 0.00 N ATOM 0 H LYS A 24 -0.507 25.184 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.482 24.202 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.608 26.447 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.708 25.600 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.120 24.775 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.512 26.263 -5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.492 23.449 -6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.306 24.509 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.680 26.131 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.496 24.842 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.091 24.858 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.257 23.429 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.466 24.678 -8.986 1.00 0.00 H new ATOM 42 N VAL A 25 -0.529 21.973 -3.023 1.00 0.00 N ATOM 43 CA VAL A 25 -0.189 20.560 -3.165 1.00 0.00 C ATOM 44 C VAL A 25 1.032 20.229 -2.288 1.00 0.00 C ATOM 45 O VAL A 25 2.140 20.675 -2.591 1.00 0.00 O ATOM 46 CB VAL A 25 -0.050 20.117 -4.641 1.00 0.00 C ATOM 47 CG1 VAL A 25 0.222 18.611 -4.761 1.00 0.00 C ATOM 48 CG2 VAL A 25 -1.332 20.424 -5.430 1.00 0.00 C ATOM 0 H VAL A 25 -1.379 22.096 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.023 19.962 -2.797 1.00 0.00 H new ATOM 0 HB VAL A 25 0.792 20.675 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.313 18.340 -5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.149 18.366 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.602 18.056 -4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.208 20.103 -6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.171 19.891 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.528 21.496 -5.404 1.00 0.00 H new ATOM 58 N PRO A 26 0.866 19.477 -1.185 1.00 0.00 N ATOM 59 CA PRO A 26 2.009 18.944 -0.457 1.00 0.00 C ATOM 60 C PRO A 26 2.713 17.914 -1.353 1.00 0.00 C ATOM 61 O PRO A 26 2.029 17.230 -2.115 1.00 0.00 O ATOM 62 CB PRO A 26 1.422 18.300 0.801 1.00 0.00 C ATOM 63 CG PRO A 26 0.000 17.919 0.405 1.00 0.00 C ATOM 64 CD PRO A 26 -0.377 18.901 -0.697 1.00 0.00 C ATOM 0 HA PRO A 26 2.747 19.698 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.997 17.426 1.105 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.428 18.994 1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.049 16.889 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.680 17.997 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.911 18.394 -1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.039 19.677 -0.314 1.00 0.00 H new ATOM 72 N PRO A 27 4.045 17.767 -1.287 1.00 0.00 N ATOM 73 CA PRO A 27 4.744 16.742 -2.050 1.00 0.00 C ATOM 74 C PRO A 27 4.485 15.350 -1.462 1.00 0.00 C ATOM 75 O PRO A 27 3.969 15.205 -0.348 1.00 0.00 O ATOM 76 CB PRO A 27 6.222 17.133 -1.986 1.00 0.00 C ATOM 77 CG PRO A 27 6.326 17.846 -0.641 1.00 0.00 C ATOM 78 CD PRO A 27 4.977 18.547 -0.491 1.00 0.00 C ATOM 0 HA PRO A 27 4.399 16.686 -3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.873 16.260 -2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.504 17.785 -2.812 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.503 17.142 0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.150 18.559 -0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.667 18.583 0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.028 19.577 -0.844 1.00 0.00 H new ATOM 86 N HIS A 28 4.867 14.333 -2.230 1.00 0.00 N ATOM 87 CA HIS A 28 4.805 12.894 -1.979 1.00 0.00 C ATOM 88 C HIS A 28 5.384 12.228 -3.238 1.00 0.00 C ATOM 89 O HIS A 28 5.810 12.936 -4.156 1.00 0.00 O ATOM 90 CB HIS A 28 3.363 12.428 -1.666 1.00 0.00 C ATOM 91 CG HIS A 28 2.261 13.212 -2.342 1.00 0.00 C ATOM 92 ND1 HIS A 28 1.910 13.181 -3.662 1.00 0.00 N flip ATOM 93 CD2 HIS A 28 1.488 14.171 -1.732 1.00 0.00 C flip ATOM 94 CE1 HIS A 28 0.902 14.133 -3.863 1.00 0.00 C flip ATOM 95 NE2 HIS A 28 0.685 14.703 -2.663 1.00 0.00 N flip ATOM 0 H HIS A 28 5.274 14.518 -3.147 1.00 0.00 H new ATOM 0 HA HIS A 28 5.380 12.614 -1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.268 11.381 -1.954 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.211 12.477 -0.588 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.522 14.446 -0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.401 14.363 -4.792 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.002 15.440 -2.487 1.00 0.00 H new ATOM 103 N SER A 29 5.447 10.900 -3.289 1.00 0.00 N ATOM 104 CA SER A 29 5.752 10.151 -4.501 1.00 0.00 C ATOM 105 C SER A 29 4.720 9.030 -4.628 1.00 0.00 C ATOM 106 O SER A 29 5.021 7.857 -4.442 1.00 0.00 O ATOM 107 CB SER A 29 7.207 9.659 -4.520 1.00 0.00 C ATOM 108 OG SER A 29 8.113 10.746 -4.599 1.00 0.00 O ATOM 0 H SER A 29 5.285 10.306 -2.476 1.00 0.00 H new ATOM 0 HA SER A 29 5.677 10.794 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.409 9.078 -3.620 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.358 8.993 -5.370 1.00 0.00 H new ATOM 0 HG SER A 29 9.032 10.406 -4.608 1.00 0.00 H new ATOM 114 N ILE A 30 3.474 9.413 -4.904 1.00 0.00 N ATOM 115 CA ILE A 30 2.299 8.547 -4.950 1.00 0.00 C ATOM 116 C ILE A 30 2.502 7.393 -5.923 1.00 0.00 C ATOM 117 O ILE A 30 2.295 6.244 -5.558 1.00 0.00 O ATOM 118 CB ILE A 30 1.082 9.436 -5.302 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.637 10.225 -4.054 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.110 8.750 -5.990 1.00 0.00 C ATOM 121 CD1 ILE A 30 -0.101 9.436 -2.972 1.00 0.00 C ATOM 0 H ILE A 30 3.246 10.385 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 30 2.124 8.073 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 30 1.448 10.107 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.521 10.676 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.007 11.042 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.892 9.485 -6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.216 8.315 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.500 7.964 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.360 10.102 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.011 9.007 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.541 8.636 -2.603 1.00 0.00 H new ATOM 133 N GLU A 31 2.844 7.648 -7.179 1.00 0.00 N ATOM 134 CA GLU A 31 2.999 6.551 -8.131 1.00 0.00 C ATOM 135 C GLU A 31 4.180 5.641 -7.790 1.00 0.00 C ATOM 136 O GLU A 31 4.178 4.449 -8.104 1.00 0.00 O ATOM 137 CB GLU A 31 3.041 7.124 -9.535 1.00 0.00 C ATOM 138 CG GLU A 31 1.585 7.395 -9.936 1.00 0.00 C ATOM 139 CD GLU A 31 1.510 8.272 -11.176 1.00 0.00 C ATOM 140 OE1 GLU A 31 2.017 7.863 -12.244 1.00 0.00 O ATOM 141 OE2 GLU A 31 0.960 9.394 -11.058 1.00 0.00 O ATOM 0 H GLU A 31 3.016 8.579 -7.558 1.00 0.00 H new ATOM 0 HA GLU A 31 2.137 5.887 -8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.629 8.042 -9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.510 6.424 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.075 6.450 -10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.062 7.881 -9.112 1.00 0.00 H new ATOM 148 N ALA A 32 5.170 6.195 -7.101 1.00 0.00 N ATOM 149 CA ALA A 32 6.291 5.451 -6.561 1.00 0.00 C ATOM 150 C ALA A 32 5.864 4.592 -5.355 1.00 0.00 C ATOM 151 O ALA A 32 6.423 3.514 -5.153 1.00 0.00 O ATOM 152 CB ALA A 32 7.401 6.444 -6.213 1.00 0.00 C ATOM 0 H ALA A 32 5.213 7.194 -6.900 1.00 0.00 H new ATOM 0 HA ALA A 32 6.669 4.747 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.256 5.905 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.706 6.979 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.034 7.156 -5.474 1.00 0.00 H new ATOM 158 N GLU A 33 4.878 5.041 -4.570 1.00 0.00 N ATOM 159 CA GLU A 33 4.197 4.272 -3.530 1.00 0.00 C ATOM 160 C GLU A 33 3.411 3.130 -4.178 1.00 0.00 C ATOM 161 O GLU A 33 3.554 1.985 -3.758 1.00 0.00 O ATOM 162 CB GLU A 33 3.256 5.167 -2.694 1.00 0.00 C ATOM 163 CG GLU A 33 3.970 5.990 -1.621 1.00 0.00 C ATOM 164 CD GLU A 33 3.041 6.966 -0.890 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.800 6.836 -0.989 1.00 0.00 O ATOM 166 OE2 GLU A 33 3.553 7.880 -0.205 1.00 0.00 O ATOM 0 H GLU A 33 4.519 5.993 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 33 4.946 3.862 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.726 5.844 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.505 4.539 -2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.421 5.314 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.783 6.550 -2.083 1.00 0.00 H new ATOM 173 N GLN A 34 2.619 3.415 -5.220 1.00 0.00 N ATOM 174 CA GLN A 34 1.818 2.431 -5.955 1.00 0.00 C ATOM 175 C GLN A 34 2.674 1.236 -6.394 1.00 0.00 C ATOM 176 O GLN A 34 2.232 0.095 -6.255 1.00 0.00 O ATOM 177 CB GLN A 34 1.122 3.094 -7.153 1.00 0.00 C ATOM 178 CG GLN A 34 -0.009 4.042 -6.714 1.00 0.00 C ATOM 179 CD GLN A 34 -0.813 4.622 -7.877 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.369 4.639 -9.024 1.00 0.00 O ATOM 181 NE2 GLN A 34 -2.009 5.123 -7.622 1.00 0.00 N ATOM 0 H GLN A 34 2.516 4.362 -5.584 1.00 0.00 H new ATOM 0 HA GLN A 34 1.047 2.048 -5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.856 3.651 -7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.715 2.323 -7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.685 3.503 -6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.420 4.861 -6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.376 5.108 -6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.565 5.524 -8.377 1.00 0.00 H new ATOM 190 N SER A 35 3.905 1.479 -6.858 1.00 0.00 N ATOM 191 CA SER A 35 4.836 0.422 -7.241 1.00 0.00 C ATOM 192 C SER A 35 5.222 -0.484 -6.067 1.00 0.00 C ATOM 193 O SER A 35 5.349 -1.689 -6.261 1.00 0.00 O ATOM 194 CB SER A 35 6.096 1.051 -7.834 1.00 0.00 C ATOM 195 OG SER A 35 5.763 1.851 -8.949 1.00 0.00 O ATOM 0 H SER A 35 4.281 2.420 -6.977 1.00 0.00 H new ATOM 0 HA SER A 35 4.332 -0.204 -7.977 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.599 1.657 -7.080 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.795 0.270 -8.133 1.00 0.00 H new ATOM 0 HG SER A 35 5.343 2.682 -8.642 1.00 0.00 H new ATOM 201 N VAL A 36 5.425 0.063 -4.865 1.00 0.00 N ATOM 202 CA VAL A 36 5.744 -0.729 -3.678 1.00 0.00 C ATOM 203 C VAL A 36 4.505 -1.517 -3.257 1.00 0.00 C ATOM 204 O VAL A 36 4.602 -2.707 -2.970 1.00 0.00 O ATOM 205 CB VAL A 36 6.262 0.189 -2.546 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.550 -0.575 -1.246 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.553 0.908 -2.962 1.00 0.00 C ATOM 0 H VAL A 36 5.372 1.066 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 36 6.540 -1.439 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 36 5.462 0.907 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.911 0.120 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.636 -1.053 -0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.309 -1.335 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.893 1.546 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.322 0.171 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.361 1.519 -3.844 1.00 0.00 H new ATOM 217 N LEU A 37 3.344 -0.861 -3.238 1.00 0.00 N ATOM 218 CA LEU A 37 2.086 -1.436 -2.789 1.00 0.00 C ATOM 219 C LEU A 37 1.720 -2.639 -3.653 1.00 0.00 C ATOM 220 O LEU A 37 1.512 -3.727 -3.125 1.00 0.00 O ATOM 221 CB LEU A 37 0.991 -0.360 -2.819 1.00 0.00 C ATOM 222 CG LEU A 37 1.173 0.733 -1.746 1.00 0.00 C ATOM 223 CD1 LEU A 37 0.231 1.900 -2.045 1.00 0.00 C ATOM 224 CD2 LEU A 37 0.906 0.215 -0.331 1.00 0.00 C ATOM 0 H LEU A 37 3.256 0.108 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 37 2.187 -1.789 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.979 0.107 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.021 -0.836 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 37 2.213 1.058 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.358 2.674 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.463 2.312 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.800 1.547 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.048 1.024 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.118 -0.152 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.598 -0.596 -0.104 1.00 0.00 H new ATOM 236 N GLY A 38 1.665 -2.473 -4.976 1.00 0.00 N ATOM 237 CA GLY A 38 1.428 -3.591 -5.879 1.00 0.00 C ATOM 238 C GLY A 38 2.598 -4.583 -5.880 1.00 0.00 C ATOM 239 O GLY A 38 2.388 -5.786 -6.057 1.00 0.00 O ATOM 0 H GLY A 38 1.782 -1.573 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.514 -4.108 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.270 -3.214 -6.890 1.00 0.00 H new ATOM 243 N GLY A 39 3.814 -4.099 -5.607 1.00 0.00 N ATOM 244 CA GLY A 39 5.021 -4.886 -5.437 1.00 0.00 C ATOM 245 C GLY A 39 4.881 -5.943 -4.370 1.00 0.00 C ATOM 246 O GLY A 39 5.253 -7.088 -4.599 1.00 0.00 O ATOM 0 H GLY A 39 3.982 -3.099 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.275 -5.363 -6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.848 -4.224 -5.181 1.00 0.00 H new ATOM 250 N LEU A 40 4.343 -5.587 -3.207 1.00 0.00 N ATOM 251 CA LEU A 40 4.221 -6.524 -2.100 1.00 0.00 C ATOM 252 C LEU A 40 3.223 -7.639 -2.405 1.00 0.00 C ATOM 253 O LEU A 40 3.417 -8.757 -1.929 1.00 0.00 O ATOM 254 CB LEU A 40 3.842 -5.769 -0.823 1.00 0.00 C ATOM 255 CG LEU A 40 5.005 -4.955 -0.228 1.00 0.00 C ATOM 256 CD1 LEU A 40 4.484 -4.162 0.975 1.00 0.00 C ATOM 257 CD2 LEU A 40 6.176 -5.848 0.191 1.00 0.00 C ATOM 0 H LEU A 40 3.984 -4.653 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 40 5.188 -7.005 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.011 -5.097 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.489 -6.483 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 40 5.382 -4.277 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.298 -3.580 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.689 -3.490 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.094 -4.851 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.974 -5.231 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.839 -6.560 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.550 -6.389 -0.678 1.00 0.00 H new ATOM 269 N MET A 41 2.217 -7.377 -3.244 1.00 0.00 N ATOM 270 CA MET A 41 1.319 -8.399 -3.783 1.00 0.00 C ATOM 271 C MET A 41 2.083 -9.384 -4.685 1.00 0.00 C ATOM 272 O MET A 41 1.607 -10.491 -4.937 1.00 0.00 O ATOM 273 CB MET A 41 0.167 -7.775 -4.592 1.00 0.00 C ATOM 274 CG MET A 41 -0.555 -6.592 -3.940 1.00 0.00 C ATOM 275 SD MET A 41 -1.714 -5.770 -5.067 1.00 0.00 S ATOM 276 CE MET A 41 -1.985 -4.196 -4.220 1.00 0.00 C ATOM 0 H MET A 41 2.001 -6.435 -3.572 1.00 0.00 H new ATOM 0 HA MET A 41 0.903 -8.932 -2.928 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.562 -7.447 -5.554 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.568 -8.553 -4.798 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.096 -6.942 -3.061 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.183 -5.868 -3.593 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.436 -3.484 -4.911 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.651 -4.350 -3.371 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.031 -3.804 -3.866 1.00 0.00 H new ATOM 286 N LEU A 42 3.206 -8.965 -5.277 1.00 0.00 N ATOM 287 CA LEU A 42 3.936 -9.672 -6.324 1.00 0.00 C ATOM 288 C LEU A 42 5.126 -10.447 -5.757 1.00 0.00 C ATOM 289 O LEU A 42 5.286 -11.640 -6.023 1.00 0.00 O ATOM 290 CB LEU A 42 4.336 -8.645 -7.403 1.00 0.00 C ATOM 291 CG LEU A 42 4.338 -9.219 -8.832 1.00 0.00 C ATOM 292 CD1 LEU A 42 4.128 -8.077 -9.832 1.00 0.00 C ATOM 293 CD2 LEU A 42 5.655 -9.930 -9.160 1.00 0.00 C ATOM 0 H LEU A 42 3.648 -8.081 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 42 3.302 -10.431 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.648 -7.800 -7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.329 -8.259 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 42 3.532 -9.950 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.128 -8.477 -10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.173 -7.591 -9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.933 -7.350 -9.728 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.614 -10.320 -10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.481 -9.224 -9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.808 -10.753 -8.462 1.00 0.00 H new ATOM 305 N ASP A 43 5.952 -9.783 -4.957 1.00 0.00 N ATOM 306 CA ASP A 43 7.225 -10.264 -4.425 1.00 0.00 C ATOM 307 C ASP A 43 7.267 -10.050 -2.917 1.00 0.00 C ATOM 308 O ASP A 43 7.730 -9.029 -2.405 1.00 0.00 O ATOM 309 CB ASP A 43 8.401 -9.594 -5.135 1.00 0.00 C ATOM 310 CG ASP A 43 9.745 -10.042 -4.557 1.00 0.00 C ATOM 311 OD1 ASP A 43 9.862 -11.190 -4.076 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.746 -9.306 -4.675 1.00 0.00 O ATOM 0 H ASP A 43 5.739 -8.836 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 43 7.312 -11.334 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.366 -9.831 -6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.310 -8.511 -5.046 1.00 0.00 H new ATOM 317 N ASN A 44 6.731 -11.037 -2.203 1.00 0.00 N ATOM 318 CA ASN A 44 6.528 -10.958 -0.756 1.00 0.00 C ATOM 319 C ASN A 44 7.857 -10.913 0.004 1.00 0.00 C ATOM 320 O ASN A 44 7.885 -10.526 1.173 1.00 0.00 O ATOM 321 CB ASN A 44 5.705 -12.136 -0.202 1.00 0.00 C ATOM 322 CG ASN A 44 4.401 -12.467 -0.912 1.00 0.00 C ATOM 323 OD1 ASN A 44 4.017 -13.632 -0.984 1.00 0.00 O ATOM 324 ND2 ASN A 44 3.666 -11.513 -1.449 1.00 0.00 N ATOM 0 H ASN A 44 6.423 -11.919 -2.613 1.00 0.00 H new ATOM 0 HA ASN A 44 5.974 -10.032 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.334 -13.026 -0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.477 -11.927 0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.790 -11.746 -1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.973 -10.542 -1.396 1.00 0.00 H new ATOM 331 N GLU A 45 8.974 -11.296 -0.616 1.00 0.00 N ATOM 332 CA GLU A 45 10.304 -11.210 -0.018 1.00 0.00 C ATOM 333 C GLU A 45 10.800 -9.769 0.076 1.00 0.00 C ATOM 334 O GLU A 45 11.792 -9.523 0.759 1.00 0.00 O ATOM 335 CB GLU A 45 11.279 -12.081 -0.822 1.00 0.00 C ATOM 336 CG GLU A 45 11.054 -13.585 -0.620 1.00 0.00 C ATOM 337 CD GLU A 45 11.746 -14.100 0.639 1.00 0.00 C ATOM 338 OE1 GLU A 45 11.342 -13.731 1.764 1.00 0.00 O ATOM 339 OE2 GLU A 45 12.712 -14.888 0.486 1.00 0.00 O ATOM 0 H GLU A 45 8.979 -11.680 -1.561 1.00 0.00 H new ATOM 0 HA GLU A 45 10.246 -11.582 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.179 -11.844 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.300 -11.831 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.985 -13.787 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.428 -14.128 -1.488 1.00 0.00 H new ATOM 346 N ARG A 46 10.147 -8.796 -0.574 1.00 0.00 N ATOM 347 CA ARG A 46 10.446 -7.397 -0.298 1.00 0.00 C ATOM 348 C ARG A 46 9.727 -6.926 0.958 1.00 0.00 C ATOM 349 O ARG A 46 10.062 -5.839 1.415 1.00 0.00 O ATOM 350 CB ARG A 46 10.071 -6.510 -1.490 1.00 0.00 C ATOM 351 CG ARG A 46 10.927 -6.788 -2.729 1.00 0.00 C ATOM 352 CD ARG A 46 12.269 -6.038 -2.797 1.00 0.00 C ATOM 353 NE ARG A 46 13.291 -6.591 -1.887 1.00 0.00 N ATOM 354 CZ ARG A 46 14.535 -6.995 -2.181 1.00 0.00 C ATOM 355 NH1 ARG A 46 15.039 -6.923 -3.409 1.00 0.00 N ATOM 356 NH2 ARG A 46 15.276 -7.483 -1.200 1.00 0.00 N ATOM 0 H ARG A 46 9.425 -8.952 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 46 11.520 -7.313 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.021 -6.666 -1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.180 -5.463 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.128 -7.858 -2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.345 -6.533 -3.615 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.645 -6.072 -3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.104 -4.989 -2.553 1.00 0.00 H new ATOM 0 HE ARG A 46 13.015 -6.677 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.474 -6.549 -4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.991 -7.242 -3.589 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.896 -7.543 -0.255 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.227 -7.800 -1.388 1.00 0.00 H new ATOM 370 N TRP A 47 8.776 -7.683 1.528 1.00 0.00 N ATOM 371 CA TRP A 47 8.042 -7.262 2.720 1.00 0.00 C ATOM 372 C TRP A 47 9.009 -6.797 3.799 1.00 0.00 C ATOM 373 O TRP A 47 8.844 -5.705 4.328 1.00 0.00 O ATOM 374 CB TRP A 47 7.092 -8.353 3.240 1.00 0.00 C ATOM 375 CG TRP A 47 6.378 -7.955 4.490 1.00 0.00 C ATOM 376 CD1 TRP A 47 6.841 -8.148 5.746 1.00 0.00 C ATOM 377 CD2 TRP A 47 5.179 -7.143 4.624 1.00 0.00 C ATOM 378 NE1 TRP A 47 6.011 -7.509 6.644 1.00 0.00 N ATOM 379 CE2 TRP A 47 5.010 -6.810 6.000 1.00 0.00 C ATOM 380 CE3 TRP A 47 4.262 -6.592 3.706 1.00 0.00 C ATOM 381 CZ2 TRP A 47 4.019 -5.915 6.432 1.00 0.00 C ATOM 382 CZ3 TRP A 47 3.247 -5.718 4.129 1.00 0.00 C ATOM 383 CH2 TRP A 47 3.143 -5.361 5.481 1.00 0.00 C ATOM 0 H TRP A 47 8.499 -8.599 1.174 1.00 0.00 H new ATOM 0 HA TRP A 47 7.410 -6.420 2.438 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.359 -8.587 2.468 1.00 0.00 H new ATOM 0 HB3 TRP A 47 7.661 -9.264 3.427 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.723 -8.714 6.006 1.00 0.00 H new ATOM 0 HE1 TRP A 47 6.123 -7.548 7.657 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.341 -6.846 2.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.930 -5.656 7.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.545 -5.320 3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.386 -4.657 5.794 1.00 0.00 H new ATOM 394 N ASP A 48 10.034 -7.587 4.096 1.00 0.00 N ATOM 395 CA ASP A 48 10.990 -7.254 5.150 1.00 0.00 C ATOM 396 C ASP A 48 11.846 -6.030 4.869 1.00 0.00 C ATOM 397 O ASP A 48 12.361 -5.432 5.815 1.00 0.00 O ATOM 398 CB ASP A 48 11.901 -8.465 5.393 1.00 0.00 C ATOM 399 CG ASP A 48 11.420 -9.404 6.503 1.00 0.00 C ATOM 400 OD1 ASP A 48 10.244 -9.328 6.923 1.00 0.00 O ATOM 401 OD2 ASP A 48 12.201 -10.293 6.916 1.00 0.00 O ATOM 0 H ASP A 48 10.227 -8.468 3.620 1.00 0.00 H new ATOM 0 HA ASP A 48 10.398 -7.005 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.987 -9.032 4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.900 -8.109 5.643 1.00 0.00 H new ATOM 406 N ASP A 49 12.067 -5.684 3.608 1.00 0.00 N ATOM 407 CA ASP A 49 12.851 -4.508 3.208 1.00 0.00 C ATOM 408 C ASP A 49 11.972 -3.276 3.272 1.00 0.00 C ATOM 409 O ASP A 49 12.375 -2.219 3.747 1.00 0.00 O ATOM 410 CB ASP A 49 13.353 -4.599 1.760 1.00 0.00 C ATOM 411 CG ASP A 49 14.257 -5.785 1.488 1.00 0.00 C ATOM 412 OD1 ASP A 49 15.478 -5.696 1.738 1.00 0.00 O ATOM 413 OD2 ASP A 49 13.751 -6.793 0.947 1.00 0.00 O ATOM 0 H ASP A 49 11.704 -6.216 2.817 1.00 0.00 H new ATOM 0 HA ASP A 49 13.702 -4.458 3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.493 -4.651 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.891 -3.683 1.516 1.00 0.00 H new ATOM 418 N VAL A 50 10.754 -3.421 2.772 1.00 0.00 N ATOM 419 CA VAL A 50 9.755 -2.386 2.755 1.00 0.00 C ATOM 420 C VAL A 50 9.408 -2.060 4.208 1.00 0.00 C ATOM 421 O VAL A 50 9.495 -0.896 4.570 1.00 0.00 O ATOM 422 CB VAL A 50 8.588 -2.882 1.888 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.420 -1.892 1.937 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.996 -3.036 0.408 1.00 0.00 C ATOM 0 H VAL A 50 10.432 -4.295 2.355 1.00 0.00 H new ATOM 0 HA VAL A 50 10.085 -1.449 2.306 1.00 0.00 H new ATOM 0 HB VAL A 50 8.296 -3.851 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.604 -2.262 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.075 -1.787 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.749 -0.922 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.142 -3.389 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.324 -2.072 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.810 -3.756 0.328 1.00 0.00 H new ATOM 434 N ALA A 51 9.116 -3.047 5.061 1.00 0.00 N ATOM 435 CA ALA A 51 8.790 -2.853 6.473 1.00 0.00 C ATOM 436 C ALA A 51 9.914 -2.157 7.250 1.00 0.00 C ATOM 437 O ALA A 51 9.662 -1.472 8.242 1.00 0.00 O ATOM 438 CB ALA A 51 8.457 -4.201 7.114 1.00 0.00 C ATOM 0 H ALA A 51 9.100 -4.027 4.779 1.00 0.00 H new ATOM 0 HA ALA A 51 7.923 -2.195 6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.214 -4.053 8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.603 -4.645 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.316 -4.866 7.030 1.00 0.00 H new ATOM 444 N GLU A 52 11.157 -2.327 6.801 1.00 0.00 N ATOM 445 CA GLU A 52 12.343 -1.695 7.370 1.00 0.00 C ATOM 446 C GLU A 52 12.454 -0.210 7.027 1.00 0.00 C ATOM 447 O GLU A 52 13.276 0.516 7.598 1.00 0.00 O ATOM 448 CB GLU A 52 13.613 -2.420 6.902 1.00 0.00 C ATOM 449 CG GLU A 52 13.885 -3.638 7.778 1.00 0.00 C ATOM 450 CD GLU A 52 14.766 -3.345 8.987 1.00 0.00 C ATOM 451 OE1 GLU A 52 14.704 -2.248 9.588 1.00 0.00 O ATOM 452 OE2 GLU A 52 15.592 -4.222 9.316 1.00 0.00 O ATOM 0 H GLU A 52 11.371 -2.928 6.005 1.00 0.00 H new ATOM 0 HA GLU A 52 12.240 -1.773 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.500 -2.730 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.463 -1.739 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.934 -4.044 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.361 -4.410 7.173 1.00 0.00 H new ATOM 459 N ARG A 53 11.661 0.260 6.072 1.00 0.00 N ATOM 460 CA ARG A 53 11.620 1.648 5.643 1.00 0.00 C ATOM 461 C ARG A 53 10.283 2.248 6.035 1.00 0.00 C ATOM 462 O ARG A 53 10.247 3.381 6.518 1.00 0.00 O ATOM 463 CB ARG A 53 11.876 1.728 4.125 1.00 0.00 C ATOM 464 CG ARG A 53 13.357 1.846 3.726 1.00 0.00 C ATOM 465 CD ARG A 53 14.241 0.662 4.130 1.00 0.00 C ATOM 466 NE ARG A 53 15.082 0.940 5.312 1.00 0.00 N ATOM 467 CZ ARG A 53 16.415 1.083 5.275 1.00 0.00 C ATOM 468 NH1 ARG A 53 17.044 1.353 4.142 1.00 0.00 N ATOM 469 NH2 ARG A 53 17.138 0.956 6.374 1.00 0.00 N ATOM 0 H ARG A 53 11.009 -0.335 5.560 1.00 0.00 H new ATOM 0 HA ARG A 53 12.403 2.226 6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.457 0.840 3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.337 2.586 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.416 1.970 2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.765 2.752 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.608 -0.201 4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.883 0.393 3.291 1.00 0.00 H new ATOM 0 HE ARG A 53 14.618 1.029 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.514 1.456 3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.059 1.458 4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.683 0.747 7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.151 1.067 6.334 1.00 0.00 H new ATOM 483 N VAL A 54 9.199 1.507 5.860 1.00 0.00 N ATOM 484 CA VAL A 54 7.869 2.040 5.969 1.00 0.00 C ATOM 485 C VAL A 54 6.897 1.057 6.590 1.00 0.00 C ATOM 486 O VAL A 54 7.015 -0.152 6.422 1.00 0.00 O ATOM 487 CB VAL A 54 7.369 2.412 4.567 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.071 3.648 4.005 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.420 1.306 3.503 1.00 0.00 C ATOM 0 H VAL A 54 9.229 0.512 5.637 1.00 0.00 H new ATOM 0 HA VAL A 54 7.916 2.913 6.620 1.00 0.00 H new ATOM 0 HB VAL A 54 6.314 2.611 4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.680 3.868 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.891 4.499 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.143 3.460 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.041 1.693 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.450 0.974 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.806 0.464 3.823 1.00 0.00 H new ATOM 499 N VAL A 55 5.877 1.601 7.236 1.00 0.00 N ATOM 500 CA VAL A 55 4.707 0.884 7.703 1.00 0.00 C ATOM 501 C VAL A 55 3.489 1.738 7.342 1.00 0.00 C ATOM 502 O VAL A 55 3.614 2.746 6.642 1.00 0.00 O ATOM 503 CB VAL A 55 4.845 0.510 9.192 1.00 0.00 C ATOM 504 CG1 VAL A 55 5.922 -0.557 9.419 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.133 1.724 10.082 1.00 0.00 C ATOM 0 H VAL A 55 5.843 2.596 7.457 1.00 0.00 H new ATOM 0 HA VAL A 55 4.586 -0.083 7.216 1.00 0.00 H new ATOM 0 HB VAL A 55 3.876 0.100 9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.985 -0.790 10.482 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.663 -1.459 8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.885 -0.182 9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.220 1.402 11.120 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.066 2.192 9.768 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.318 2.442 9.992 1.00 0.00 H new ATOM 515 N ALA A 56 2.296 1.362 7.809 1.00 0.00 N ATOM 516 CA ALA A 56 1.086 2.152 7.599 1.00 0.00 C ATOM 517 C ALA A 56 1.262 3.609 8.052 1.00 0.00 C ATOM 518 O ALA A 56 0.616 4.499 7.513 1.00 0.00 O ATOM 519 CB ALA A 56 -0.083 1.510 8.345 1.00 0.00 C ATOM 0 H ALA A 56 2.144 0.505 8.341 1.00 0.00 H new ATOM 0 HA ALA A 56 0.880 2.166 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.985 2.102 8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.242 0.499 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.143 1.471 9.411 1.00 0.00 H new ATOM 525 N ASP A 57 2.151 3.882 9.005 1.00 0.00 N ATOM 526 CA ASP A 57 2.425 5.242 9.455 1.00 0.00 C ATOM 527 C ASP A 57 2.931 6.151 8.337 1.00 0.00 C ATOM 528 O ASP A 57 2.790 7.367 8.444 1.00 0.00 O ATOM 529 CB ASP A 57 3.440 5.253 10.598 1.00 0.00 C ATOM 530 CG ASP A 57 2.854 4.705 11.886 1.00 0.00 C ATOM 531 OD1 ASP A 57 2.259 5.496 12.656 1.00 0.00 O ATOM 532 OD2 ASP A 57 3.006 3.492 12.167 1.00 0.00 O ATOM 0 H ASP A 57 2.699 3.168 9.485 1.00 0.00 H new ATOM 0 HA ASP A 57 1.469 5.633 9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.310 4.661 10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.788 6.273 10.763 1.00 0.00 H new ATOM 537 N ASP A 58 3.507 5.605 7.271 1.00 0.00 N ATOM 538 CA ASP A 58 4.218 6.365 6.255 1.00 0.00 C ATOM 539 C ASP A 58 3.350 6.644 5.028 1.00 0.00 C ATOM 540 O ASP A 58 3.627 7.586 4.282 1.00 0.00 O ATOM 541 CB ASP A 58 5.483 5.593 5.882 1.00 0.00 C ATOM 542 CG ASP A 58 6.411 5.467 7.087 1.00 0.00 C ATOM 543 OD1 ASP A 58 7.098 6.458 7.431 1.00 0.00 O ATOM 544 OD2 ASP A 58 6.428 4.382 7.704 1.00 0.00 O ATOM 0 H ASP A 58 3.491 4.602 7.088 1.00 0.00 H new ATOM 0 HA ASP A 58 4.483 7.343 6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.216 4.601 5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.000 6.103 5.070 1.00 0.00 H new ATOM 549 N PHE A 59 2.276 5.874 4.824 1.00 0.00 N ATOM 550 CA PHE A 59 1.364 6.029 3.703 1.00 0.00 C ATOM 551 C PHE A 59 0.231 6.970 4.111 1.00 0.00 C ATOM 552 O PHE A 59 -0.670 6.612 4.875 1.00 0.00 O ATOM 553 CB PHE A 59 0.840 4.667 3.257 1.00 0.00 C ATOM 554 CG PHE A 59 1.896 3.761 2.644 1.00 0.00 C ATOM 555 CD1 PHE A 59 2.245 3.879 1.283 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.553 2.806 3.443 1.00 0.00 C ATOM 557 CE1 PHE A 59 3.214 3.026 0.724 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.547 1.979 2.894 1.00 0.00 C ATOM 559 CZ PHE A 59 3.870 2.078 1.529 1.00 0.00 C ATOM 0 H PHE A 59 2.018 5.112 5.451 1.00 0.00 H new ATOM 0 HA PHE A 59 1.886 6.467 2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.398 4.162 4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.041 4.818 2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.767 4.627 0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.291 2.708 4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.455 3.099 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.063 1.267 3.521 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.619 1.428 1.101 1.00 0.00 H new ATOM 569 N TYR A 60 0.295 8.207 3.632 1.00 0.00 N ATOM 570 CA TYR A 60 -0.659 9.257 3.929 1.00 0.00 C ATOM 571 C TYR A 60 -2.072 8.998 3.371 1.00 0.00 C ATOM 572 O TYR A 60 -3.040 9.297 4.086 1.00 0.00 O ATOM 573 CB TYR A 60 -0.106 10.598 3.427 1.00 0.00 C ATOM 574 CG TYR A 60 -1.139 11.699 3.522 1.00 0.00 C ATOM 575 CD1 TYR A 60 -1.597 12.115 4.785 1.00 0.00 C ATOM 576 CD2 TYR A 60 -1.762 12.170 2.351 1.00 0.00 C ATOM 577 CE1 TYR A 60 -2.699 12.980 4.881 1.00 0.00 C ATOM 578 CE2 TYR A 60 -2.875 13.019 2.440 1.00 0.00 C ATOM 579 CZ TYR A 60 -3.356 13.416 3.708 1.00 0.00 C ATOM 580 OH TYR A 60 -4.504 14.142 3.815 1.00 0.00 O ATOM 0 H TYR A 60 1.040 8.512 3.005 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.782 9.280 5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.772 10.871 4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.220 10.493 2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.102 11.769 5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.383 11.877 1.383 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.044 13.311 5.849 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.363 13.368 1.542 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.833 14.367 2.920 1.00 0.00 H new ATOM 590 N THR A 61 -2.253 8.524 2.130 1.00 0.00 N ATOM 591 CA THR A 61 -3.606 8.445 1.575 1.00 0.00 C ATOM 592 C THR A 61 -4.346 7.259 2.203 1.00 0.00 C ATOM 593 O THR A 61 -3.711 6.256 2.527 1.00 0.00 O ATOM 594 CB THR A 61 -3.614 8.432 0.034 1.00 0.00 C ATOM 595 OG1 THR A 61 -3.527 7.150 -0.555 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.552 9.314 -0.617 1.00 0.00 C ATOM 0 H THR A 61 -1.508 8.201 1.513 1.00 0.00 H new ATOM 0 HA THR A 61 -4.149 9.353 1.838 1.00 0.00 H new ATOM 0 HB THR A 61 -4.601 8.847 -0.169 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.540 7.237 -1.531 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.634 9.241 -1.702 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.701 10.349 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.562 8.982 -0.305 1.00 0.00 H new ATOM 604 N ARG A 62 -5.676 7.323 2.366 1.00 0.00 N ATOM 605 CA ARG A 62 -6.404 6.181 2.925 1.00 0.00 C ATOM 606 C ARG A 62 -6.239 4.906 2.097 1.00 0.00 C ATOM 607 O ARG A 62 -5.966 3.894 2.727 1.00 0.00 O ATOM 608 CB ARG A 62 -7.888 6.457 3.208 1.00 0.00 C ATOM 609 CG ARG A 62 -8.102 7.301 4.475 1.00 0.00 C ATOM 610 CD ARG A 62 -8.141 8.806 4.201 1.00 0.00 C ATOM 611 NE ARG A 62 -9.418 9.174 3.578 1.00 0.00 N ATOM 612 CZ ARG A 62 -9.818 10.394 3.221 1.00 0.00 C ATOM 613 NH1 ARG A 62 -8.993 11.435 3.262 1.00 0.00 N ATOM 614 NH2 ARG A 62 -11.069 10.545 2.818 1.00 0.00 N ATOM 0 H ARG A 62 -6.253 8.129 2.126 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.930 6.017 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.327 6.973 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.416 5.509 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.036 7.001 4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.302 7.089 5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.010 9.356 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.315 9.086 3.547 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.071 8.412 3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.029 11.310 3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.323 12.359 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.696 9.741 2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.407 11.466 2.538 1.00 0.00 H new ATOM 628 N PRO A 63 -6.352 4.879 0.752 1.00 0.00 N ATOM 629 CA PRO A 63 -6.144 3.639 0.017 1.00 0.00 C ATOM 630 C PRO A 63 -4.728 3.120 0.237 1.00 0.00 C ATOM 631 O PRO A 63 -4.573 1.964 0.617 1.00 0.00 O ATOM 632 CB PRO A 63 -6.457 3.927 -1.454 1.00 0.00 C ATOM 633 CG PRO A 63 -6.352 5.439 -1.557 1.00 0.00 C ATOM 634 CD PRO A 63 -6.750 5.932 -0.167 1.00 0.00 C ATOM 0 HA PRO A 63 -6.804 2.847 0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.750 3.431 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.452 3.575 -1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.341 5.752 -1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.016 5.834 -2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.251 6.871 0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.823 6.117 -0.109 1.00 0.00 H new ATOM 642 N HIS A 64 -3.703 3.954 0.031 1.00 0.00 N ATOM 643 CA HIS A 64 -2.319 3.520 0.166 1.00 0.00 C ATOM 644 C HIS A 64 -2.054 2.988 1.584 1.00 0.00 C ATOM 645 O HIS A 64 -1.425 1.940 1.737 1.00 0.00 O ATOM 646 CB HIS A 64 -1.366 4.662 -0.233 1.00 0.00 C ATOM 647 CG HIS A 64 -1.314 4.999 -1.718 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.345 5.774 -2.322 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.132 4.539 -2.718 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.546 5.753 -3.652 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.656 5.050 -3.933 1.00 0.00 N ATOM 0 H HIS A 64 -3.812 4.934 -0.230 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.129 2.691 -0.516 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.657 5.559 0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.360 4.401 0.096 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.399 6.278 -1.840 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.991 3.897 -2.592 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.089 6.230 -4.384 1.00 0.00 H new ATOM 659 N ARG A 65 -2.590 3.646 2.619 1.00 0.00 N ATOM 660 CA ARG A 65 -2.512 3.151 3.983 1.00 0.00 C ATOM 661 C ARG A 65 -3.225 1.849 4.182 1.00 0.00 C ATOM 662 O ARG A 65 -2.603 0.915 4.679 1.00 0.00 O ATOM 663 CB ARG A 65 -3.009 4.174 5.009 1.00 0.00 C ATOM 664 CG ARG A 65 -2.186 3.987 6.289 1.00 0.00 C ATOM 665 CD ARG A 65 -2.367 5.012 7.413 1.00 0.00 C ATOM 666 NE ARG A 65 -3.710 5.613 7.458 1.00 0.00 N ATOM 667 CZ ARG A 65 -4.039 6.750 6.840 1.00 0.00 C ATOM 668 NH1 ARG A 65 -3.160 7.355 6.050 1.00 0.00 N ATOM 669 NH2 ARG A 65 -5.247 7.270 7.009 1.00 0.00 N ATOM 0 H ARG A 65 -3.086 4.532 2.527 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.449 2.978 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.894 5.188 4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.070 4.028 5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.417 3.002 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.132 3.978 6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.163 4.529 8.369 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.628 5.804 7.292 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.433 5.132 7.993 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.233 6.951 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.412 8.224 5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.924 6.801 7.611 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.499 8.139 6.537 1.00 0.00 H new ATOM 683 N HIS A 66 -4.515 1.795 3.873 1.00 0.00 N ATOM 684 CA HIS A 66 -5.306 0.611 4.121 1.00 0.00 C ATOM 685 C HIS A 66 -4.649 -0.606 3.496 1.00 0.00 C ATOM 686 O HIS A 66 -4.580 -1.657 4.133 1.00 0.00 O ATOM 687 CB HIS A 66 -6.718 0.776 3.569 1.00 0.00 C ATOM 688 CG HIS A 66 -7.678 -0.060 4.353 1.00 0.00 C ATOM 689 ND1 HIS A 66 -7.616 -1.415 4.589 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.686 0.454 5.102 1.00 0.00 C ATOM 691 CE1 HIS A 66 -8.583 -1.717 5.467 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.257 -0.606 5.821 1.00 0.00 N ATOM 0 H HIS A 66 -5.031 2.565 3.448 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.368 0.468 5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.015 1.824 3.615 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.743 0.484 2.519 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -6.955 -2.070 4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.992 1.489 5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.792 -2.710 5.838 1.00 0.00 H new ATOM 700 N ILE A 67 -4.158 -0.463 2.263 1.00 0.00 N ATOM 701 CA ILE A 67 -3.474 -1.519 1.538 1.00 0.00 C ATOM 702 C ILE A 67 -2.333 -2.038 2.422 1.00 0.00 C ATOM 703 O ILE A 67 -2.355 -3.217 2.773 1.00 0.00 O ATOM 704 CB ILE A 67 -3.061 -1.003 0.139 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.330 -0.800 -0.723 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.107 -1.943 -0.620 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.076 0.053 -1.971 1.00 0.00 C ATOM 0 H ILE A 67 -4.229 0.408 1.737 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.115 -2.377 1.334 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.524 -0.069 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.715 -1.773 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.102 -0.326 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.865 -1.510 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.191 -2.075 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.588 -2.911 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.003 0.159 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.718 1.038 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.326 -0.431 -2.596 1.00 0.00 H new ATOM 719 N PHE A 68 -1.410 -1.175 2.861 1.00 0.00 N ATOM 720 CA PHE A 68 -0.319 -1.605 3.731 1.00 0.00 C ATOM 721 C PHE A 68 -0.820 -2.196 5.049 1.00 0.00 C ATOM 722 O PHE A 68 -0.352 -3.251 5.461 1.00 0.00 O ATOM 723 CB PHE A 68 0.673 -0.465 4.006 1.00 0.00 C ATOM 724 CG PHE A 68 1.962 -1.008 4.592 1.00 0.00 C ATOM 725 CD1 PHE A 68 2.054 -1.324 5.963 1.00 0.00 C ATOM 726 CD2 PHE A 68 3.035 -1.318 3.735 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.202 -1.957 6.469 1.00 0.00 C ATOM 728 CE2 PHE A 68 4.186 -1.937 4.246 1.00 0.00 C ATOM 729 CZ PHE A 68 4.277 -2.251 5.612 1.00 0.00 C ATOM 0 H PHE A 68 -1.399 -0.182 2.628 1.00 0.00 H new ATOM 0 HA PHE A 68 0.202 -2.395 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.885 0.071 3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.228 0.253 4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.239 -1.078 6.627 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.972 -1.079 2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.258 -2.217 7.516 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.007 -2.173 3.585 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.170 -2.717 6.003 1.00 0.00 H new ATOM 739 N THR A 69 -1.742 -1.518 5.731 1.00 0.00 N ATOM 740 CA THR A 69 -2.204 -1.883 7.068 1.00 0.00 C ATOM 741 C THR A 69 -2.799 -3.286 7.039 1.00 0.00 C ATOM 742 O THR A 69 -2.447 -4.128 7.860 1.00 0.00 O ATOM 743 CB THR A 69 -3.249 -0.867 7.581 1.00 0.00 C ATOM 744 OG1 THR A 69 -2.921 0.477 7.272 1.00 0.00 O ATOM 745 CG2 THR A 69 -3.402 -0.935 9.101 1.00 0.00 C ATOM 0 H THR A 69 -2.197 -0.683 5.362 1.00 0.00 H new ATOM 0 HA THR A 69 -1.354 -1.868 7.750 1.00 0.00 H new ATOM 0 HB THR A 69 -4.172 -1.148 7.074 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.198 0.678 6.354 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.145 -0.206 9.425 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.725 -1.935 9.390 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.445 -0.712 9.573 1.00 0.00 H new ATOM 753 N GLU A 70 -3.677 -3.555 6.077 1.00 0.00 N ATOM 754 CA GLU A 70 -4.384 -4.815 6.030 1.00 0.00 C ATOM 755 C GLU A 70 -3.429 -5.911 5.541 1.00 0.00 C ATOM 756 O GLU A 70 -3.565 -7.041 5.996 1.00 0.00 O ATOM 757 CB GLU A 70 -5.615 -4.627 5.144 1.00 0.00 C ATOM 758 CG GLU A 70 -6.712 -5.689 5.253 1.00 0.00 C ATOM 759 CD GLU A 70 -7.507 -5.657 6.565 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.636 -4.587 7.212 1.00 0.00 O ATOM 761 OE2 GLU A 70 -8.037 -6.725 6.940 1.00 0.00 O ATOM 0 H GLU A 70 -3.911 -2.911 5.322 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.732 -5.133 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.056 -3.658 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.284 -4.586 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.405 -5.563 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.258 -6.674 5.143 1.00 0.00 H new ATOM 768 N MET A 71 -2.427 -5.599 4.700 1.00 0.00 N ATOM 769 CA MET A 71 -1.355 -6.543 4.379 1.00 0.00 C ATOM 770 C MET A 71 -0.590 -6.889 5.650 1.00 0.00 C ATOM 771 O MET A 71 -0.401 -8.065 5.944 1.00 0.00 O ATOM 772 CB MET A 71 -0.343 -5.994 3.365 1.00 0.00 C ATOM 773 CG MET A 71 -0.779 -6.006 1.904 1.00 0.00 C ATOM 774 SD MET A 71 0.648 -5.734 0.824 1.00 0.00 S ATOM 775 CE MET A 71 -0.183 -5.294 -0.712 1.00 0.00 C ATOM 0 H MET A 71 -2.342 -4.697 4.232 1.00 0.00 H new ATOM 0 HA MET A 71 -1.838 -7.415 3.938 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.103 -4.968 3.642 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.577 -6.572 3.453 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.249 -6.960 1.665 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.526 -5.231 1.733 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.554 -5.199 -1.510 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.902 -6.071 -0.972 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.705 -4.345 -0.585 1.00 0.00 H new ATOM 785 N ALA A 72 -0.150 -5.884 6.410 1.00 0.00 N ATOM 786 CA ALA A 72 0.597 -6.094 7.635 1.00 0.00 C ATOM 787 C ALA A 72 -0.217 -6.978 8.570 1.00 0.00 C ATOM 788 O ALA A 72 0.309 -7.961 9.093 1.00 0.00 O ATOM 789 CB ALA A 72 0.944 -4.756 8.298 1.00 0.00 C ATOM 0 H ALA A 72 -0.306 -4.901 6.186 1.00 0.00 H new ATOM 0 HA ALA A 72 1.538 -6.593 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.504 -4.939 9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.549 -4.158 7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.026 -4.218 8.535 1.00 0.00 H new ATOM 795 N ARG A 73 -1.497 -6.656 8.763 1.00 0.00 N ATOM 796 CA ARG A 73 -2.365 -7.411 9.657 1.00 0.00 C ATOM 797 C ARG A 73 -2.709 -8.803 9.110 1.00 0.00 C ATOM 798 O ARG A 73 -2.955 -9.697 9.913 1.00 0.00 O ATOM 799 CB ARG A 73 -3.597 -6.560 10.008 1.00 0.00 C ATOM 800 CG ARG A 73 -3.979 -6.679 11.493 1.00 0.00 C ATOM 801 CD ARG A 73 -4.920 -5.532 11.867 1.00 0.00 C ATOM 802 NE ARG A 73 -5.383 -5.618 13.260 1.00 0.00 N ATOM 803 CZ ARG A 73 -5.301 -4.689 14.221 1.00 0.00 C ATOM 804 NH1 ARG A 73 -4.592 -3.573 14.077 1.00 0.00 N ATOM 805 NH2 ARG A 73 -5.970 -4.900 15.344 1.00 0.00 N ATOM 0 H ARG A 73 -1.956 -5.868 8.305 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.829 -7.616 10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.396 -5.516 9.769 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.440 -6.872 9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.463 -7.637 11.680 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.084 -6.647 12.114 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.408 -4.582 11.715 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.782 -5.540 11.199 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.823 -6.498 13.529 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.084 -3.400 13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.556 -2.890 14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.525 -5.749 15.455 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.931 -4.214 16.098 1.00 0.00 H new ATOM 819 N LEU A 74 -2.746 -9.038 7.792 1.00 0.00 N ATOM 820 CA LEU A 74 -2.839 -10.365 7.192 1.00 0.00 C ATOM 821 C LEU A 74 -1.578 -11.160 7.490 1.00 0.00 C ATOM 822 O LEU A 74 -1.667 -12.260 8.023 1.00 0.00 O ATOM 823 CB LEU A 74 -3.042 -10.237 5.672 1.00 0.00 C ATOM 824 CG LEU A 74 -4.505 -9.990 5.282 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.614 -9.454 3.852 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.335 -11.274 5.380 1.00 0.00 C ATOM 0 H LEU A 74 -2.711 -8.289 7.101 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.693 -10.892 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.428 -9.418 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.691 -11.147 5.186 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.893 -9.251 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.663 -9.289 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.070 -8.513 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.187 -10.178 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.366 -11.063 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.921 -12.027 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.309 -11.647 6.404 1.00 0.00 H new ATOM 838 N GLN A 75 -0.405 -10.609 7.198 1.00 0.00 N ATOM 839 CA GLN A 75 0.863 -11.285 7.424 1.00 0.00 C ATOM 840 C GLN A 75 1.040 -11.591 8.912 1.00 0.00 C ATOM 841 O GLN A 75 1.584 -12.631 9.283 1.00 0.00 O ATOM 842 CB GLN A 75 1.980 -10.363 6.910 1.00 0.00 C ATOM 843 CG GLN A 75 3.310 -11.060 6.591 1.00 0.00 C ATOM 844 CD GLN A 75 3.297 -11.930 5.327 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.271 -12.404 4.853 1.00 0.00 O ATOM 846 NE2 GLN A 75 4.456 -12.167 4.746 1.00 0.00 N ATOM 0 H GLN A 75 -0.309 -9.676 6.796 1.00 0.00 H new ATOM 0 HA GLN A 75 0.895 -12.236 6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.628 -9.859 6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.163 -9.590 7.657 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.085 -10.301 6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.590 -11.683 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.312 -11.774 5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.497 -12.743 3.905 1.00 0.00 H new ATOM 855 N GLU A 76 0.538 -10.704 9.772 1.00 0.00 N ATOM 856 CA GLU A 76 0.492 -10.886 11.218 1.00 0.00 C ATOM 857 C GLU A 76 -0.369 -12.095 11.614 1.00 0.00 C ATOM 858 O GLU A 76 -0.040 -12.782 12.583 1.00 0.00 O ATOM 859 CB GLU A 76 0.006 -9.595 11.895 1.00 0.00 C ATOM 860 CG GLU A 76 0.045 -9.695 13.421 1.00 0.00 C ATOM 861 CD GLU A 76 -0.403 -8.404 14.099 1.00 0.00 C ATOM 862 OE1 GLU A 76 -1.631 -8.158 14.204 1.00 0.00 O ATOM 863 OE2 GLU A 76 0.470 -7.653 14.592 1.00 0.00 O ATOM 0 H GLU A 76 0.141 -9.814 9.470 1.00 0.00 H new ATOM 0 HA GLU A 76 1.502 -11.099 11.568 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.628 -8.760 11.571 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.012 -9.378 11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.597 -10.514 13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.058 -9.938 13.741 1.00 0.00 H new ATOM 870 N SER A 77 -1.425 -12.401 10.862 1.00 0.00 N ATOM 871 CA SER A 77 -2.210 -13.618 11.029 1.00 0.00 C ATOM 872 C SER A 77 -1.736 -14.758 10.113 1.00 0.00 C ATOM 873 O SER A 77 -2.482 -15.715 9.884 1.00 0.00 O ATOM 874 CB SER A 77 -3.704 -13.308 10.900 1.00 0.00 C ATOM 875 OG SER A 77 -4.067 -12.546 9.762 1.00 0.00 O ATOM 0 H SER A 77 -1.762 -11.801 10.110 1.00 0.00 H new ATOM 0 HA SER A 77 -2.046 -13.994 12.039 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.253 -14.249 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.026 -12.773 11.793 1.00 0.00 H new ATOM 0 HG SER A 77 -3.316 -12.521 9.132 1.00 0.00 H new ATOM 881 N GLY A 78 -0.524 -14.663 9.551 1.00 0.00 N ATOM 882 CA GLY A 78 0.076 -15.700 8.722 1.00 0.00 C ATOM 883 C GLY A 78 -0.713 -15.902 7.433 1.00 0.00 C ATOM 884 O GLY A 78 -0.668 -16.983 6.842 1.00 0.00 O ATOM 0 H GLY A 78 0.073 -13.844 9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.104 -15.428 8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.115 -16.637 9.278 1.00 0.00 H new ATOM 888 N SER A 79 -1.471 -14.889 7.030 1.00 0.00 N ATOM 889 CA SER A 79 -2.381 -14.927 5.900 1.00 0.00 C ATOM 890 C SER A 79 -1.741 -14.135 4.754 1.00 0.00 C ATOM 891 O SER A 79 -1.023 -13.169 5.021 1.00 0.00 O ATOM 892 CB SER A 79 -3.727 -14.346 6.343 1.00 0.00 C ATOM 893 OG SER A 79 -4.221 -15.050 7.474 1.00 0.00 O ATOM 0 H SER A 79 -1.466 -13.985 7.502 1.00 0.00 H new ATOM 0 HA SER A 79 -2.563 -15.942 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.612 -13.290 6.586 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.445 -14.409 5.525 1.00 0.00 H new ATOM 0 HG SER A 79 -5.081 -14.667 7.748 1.00 0.00 H new ATOM 899 N PRO A 80 -1.975 -14.516 3.488 1.00 0.00 N ATOM 900 CA PRO A 80 -1.225 -13.968 2.376 1.00 0.00 C ATOM 901 C PRO A 80 -1.554 -12.501 2.148 1.00 0.00 C ATOM 902 O PRO A 80 -2.714 -12.095 2.227 1.00 0.00 O ATOM 903 CB PRO A 80 -1.579 -14.817 1.152 1.00 0.00 C ATOM 904 CG PRO A 80 -2.883 -15.522 1.528 1.00 0.00 C ATOM 905 CD PRO A 80 -2.882 -15.558 3.052 1.00 0.00 C ATOM 0 HA PRO A 80 -0.154 -14.004 2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.706 -14.197 0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.791 -15.536 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.749 -14.982 1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.924 -16.527 1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.885 -15.389 3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.557 -16.532 3.417 1.00 0.00 H new ATOM 913 N ILE A 81 -0.556 -11.757 1.678 1.00 0.00 N ATOM 914 CA ILE A 81 -0.680 -10.350 1.299 1.00 0.00 C ATOM 915 C ILE A 81 -0.982 -10.234 -0.201 1.00 0.00 C ATOM 916 O ILE A 81 -0.753 -9.196 -0.824 1.00 0.00 O ATOM 917 CB ILE A 81 0.581 -9.574 1.746 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.870 -10.038 1.033 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.697 -9.655 3.278 1.00 0.00 C ATOM 920 CD1 ILE A 81 3.119 -9.254 1.451 1.00 0.00 C ATOM 0 H ILE A 81 0.386 -12.125 1.546 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.523 -9.889 1.814 1.00 0.00 H new ATOM 0 HB ILE A 81 0.466 -8.532 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.029 -11.096 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.734 -9.941 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.583 -9.111 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.189 -9.213 3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.779 -10.699 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.985 -9.635 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.981 -8.198 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.280 -9.371 2.523 1.00 0.00 H new ATOM 932 N ASP A 82 -1.536 -11.306 -0.777 1.00 0.00 N ATOM 933 CA ASP A 82 -2.007 -11.321 -2.152 1.00 0.00 C ATOM 934 C ASP A 82 -3.149 -10.324 -2.292 1.00 0.00 C ATOM 935 O ASP A 82 -3.975 -10.177 -1.386 1.00 0.00 O ATOM 936 CB ASP A 82 -2.553 -12.711 -2.530 1.00 0.00 C ATOM 937 CG ASP A 82 -1.529 -13.621 -3.189 1.00 0.00 C ATOM 938 OD1 ASP A 82 -0.659 -13.147 -3.951 1.00 0.00 O ATOM 939 OD2 ASP A 82 -1.616 -14.853 -2.997 1.00 0.00 O ATOM 0 H ASP A 82 -1.668 -12.193 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.171 -11.067 -2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.931 -13.198 -1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.400 -12.586 -3.205 1.00 0.00 H new ATOM 944 N LEU A 83 -3.233 -9.713 -3.476 1.00 0.00 N ATOM 945 CA LEU A 83 -4.248 -8.745 -3.859 1.00 0.00 C ATOM 946 C LEU A 83 -5.632 -9.227 -3.459 1.00 0.00 C ATOM 947 O LEU A 83 -6.367 -8.510 -2.795 1.00 0.00 O ATOM 948 CB LEU A 83 -4.183 -8.487 -5.365 1.00 0.00 C ATOM 949 CG LEU A 83 -5.386 -7.704 -5.892 1.00 0.00 C ATOM 950 CD1 LEU A 83 -5.638 -6.396 -5.170 1.00 0.00 C ATOM 951 CD2 LEU A 83 -5.141 -7.359 -7.347 1.00 0.00 C ATOM 0 H LEU A 83 -2.562 -9.892 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.052 -7.810 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.270 -7.937 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.120 -9.441 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.253 -8.346 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.508 -5.903 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.822 -6.593 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.766 -5.750 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.992 -6.800 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.239 -6.752 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.016 -8.276 -7.922 1.00 0.00 H new ATOM 963 N ILE A 84 -6.022 -10.417 -3.897 1.00 0.00 N ATOM 964 CA ILE A 84 -7.360 -10.907 -3.750 1.00 0.00 C ATOM 965 C ILE A 84 -7.695 -11.071 -2.269 1.00 0.00 C ATOM 966 O ILE A 84 -8.728 -10.583 -1.826 1.00 0.00 O ATOM 967 CB ILE A 84 -7.451 -12.186 -4.599 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.771 -11.992 -5.983 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.929 -12.529 -4.808 1.00 0.00 C ATOM 970 CD1 ILE A 84 -5.315 -12.451 -6.112 1.00 0.00 C ATOM 0 H ILE A 84 -5.397 -11.069 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.119 -10.215 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.936 -12.992 -4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.362 -12.525 -6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.816 -10.933 -6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.011 -13.435 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.405 -12.691 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.424 -11.706 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.962 -12.260 -7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.696 -11.902 -5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.250 -13.518 -5.901 1.00 0.00 H new ATOM 982 N THR A 85 -6.793 -11.652 -1.486 1.00 0.00 N ATOM 983 CA THR A 85 -6.932 -11.776 -0.043 1.00 0.00 C ATOM 984 C THR A 85 -7.187 -10.409 0.586 1.00 0.00 C ATOM 985 O THR A 85 -8.131 -10.235 1.361 1.00 0.00 O ATOM 986 CB THR A 85 -5.675 -12.436 0.546 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.256 -13.493 -0.298 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.960 -13.004 1.937 1.00 0.00 C ATOM 0 H THR A 85 -5.929 -12.057 -1.845 1.00 0.00 H new ATOM 0 HA THR A 85 -7.790 -12.410 0.183 1.00 0.00 H new ATOM 0 HB THR A 85 -4.895 -11.678 0.623 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.558 -14.348 0.074 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.056 -13.466 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.277 -12.200 2.600 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.750 -13.752 1.870 1.00 0.00 H new ATOM 996 N LEU A 86 -6.344 -9.447 0.216 1.00 0.00 N ATOM 997 CA LEU A 86 -6.352 -8.079 0.691 1.00 0.00 C ATOM 998 C LEU A 86 -7.665 -7.382 0.364 1.00 0.00 C ATOM 999 O LEU A 86 -8.276 -6.788 1.246 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.173 -7.337 0.046 1.00 0.00 C ATOM 1001 CG LEU A 86 -4.900 -5.977 0.693 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.341 -6.159 2.101 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -3.885 -5.217 -0.155 1.00 0.00 C ATOM 0 H LEU A 86 -5.600 -9.618 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.252 -8.075 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.278 -7.955 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.377 -7.195 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.834 -5.419 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.152 -5.182 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.062 -6.703 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.409 -6.722 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.685 -4.247 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.959 -5.788 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.285 -5.072 -1.159 1.00 0.00 H new ATOM 1015 N ALA A 87 -8.086 -7.439 -0.898 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.311 -6.840 -1.396 1.00 0.00 C ATOM 1017 C ALA A 87 -10.537 -7.420 -0.693 1.00 0.00 C ATOM 1018 O ALA A 87 -11.440 -6.680 -0.309 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.397 -7.081 -2.898 1.00 0.00 C ATOM 0 H ALA A 87 -7.559 -7.923 -1.625 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.294 -5.770 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.313 -6.636 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.537 -6.627 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.403 -8.153 -3.095 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.569 -8.734 -0.495 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.653 -9.377 0.229 1.00 0.00 C ATOM 1027 C GLU A 88 -11.646 -8.939 1.700 1.00 0.00 C ATOM 1028 O GLU A 88 -12.707 -8.729 2.286 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.529 -10.899 0.075 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.740 -11.405 -1.364 1.00 0.00 C ATOM 1031 CD GLU A 88 -13.167 -11.233 -1.854 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -13.554 -10.118 -2.257 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -13.928 -12.225 -1.879 1.00 0.00 O ATOM 0 H GLU A 88 -9.850 -9.376 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.613 -9.072 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.541 -11.209 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.257 -11.380 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.066 -10.870 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.470 -12.460 -1.415 1.00 0.00 H new ATOM 1040 N SER A 89 -10.465 -8.737 2.293 1.00 0.00 N ATOM 1041 CA SER A 89 -10.320 -8.228 3.650 1.00 0.00 C ATOM 1042 C SER A 89 -10.793 -6.766 3.724 1.00 0.00 C ATOM 1043 O SER A 89 -11.455 -6.372 4.682 1.00 0.00 O ATOM 1044 CB SER A 89 -8.861 -8.414 4.095 1.00 0.00 C ATOM 1045 OG SER A 89 -8.758 -8.744 5.469 1.00 0.00 O ATOM 0 H SER A 89 -9.574 -8.927 1.833 1.00 0.00 H new ATOM 0 HA SER A 89 -10.951 -8.786 4.341 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.399 -9.201 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.304 -7.497 3.901 1.00 0.00 H new ATOM 0 HG SER A 89 -8.208 -8.074 5.926 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.531 -5.961 2.691 1.00 0.00 N ATOM 1052 CA LEU A 90 -11.060 -4.608 2.549 1.00 0.00 C ATOM 1053 C LEU A 90 -12.583 -4.640 2.485 1.00 0.00 C ATOM 1054 O LEU A 90 -13.229 -3.769 3.061 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.510 -3.937 1.283 1.00 0.00 C ATOM 1056 CG LEU A 90 -9.132 -3.296 1.468 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.374 -3.301 0.137 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -9.270 -1.850 1.953 1.00 0.00 C ATOM 0 H LEU A 90 -9.932 -6.241 1.915 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.746 -4.031 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.450 -4.679 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.214 -3.173 0.954 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.584 -3.874 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.394 -2.844 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.250 -4.328 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.938 -2.735 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.280 -1.412 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.832 -1.272 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.797 -1.835 2.907 1.00 0.00 H new ATOM 1070 N GLU A 91 -13.189 -5.591 1.776 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.625 -5.761 1.763 1.00 0.00 C ATOM 1072 C GLU A 91 -15.168 -6.194 3.117 1.00 0.00 C ATOM 1073 O GLU A 91 -16.210 -5.693 3.541 1.00 0.00 O ATOM 1074 CB GLU A 91 -15.024 -6.749 0.659 1.00 0.00 C ATOM 1075 CG GLU A 91 -16.176 -6.112 -0.105 1.00 0.00 C ATOM 1076 CD GLU A 91 -16.843 -7.073 -1.081 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.186 -7.574 -2.015 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -18.055 -7.349 -0.912 1.00 0.00 O ATOM 0 H GLU A 91 -12.688 -6.263 1.195 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.075 -4.791 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.183 -6.947 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.325 -7.705 1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.919 -5.749 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.807 -5.244 -0.652 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.468 -7.075 3.832 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.821 -7.432 5.204 1.00 0.00 C ATOM 1087 C ARG A 92 -14.776 -6.190 6.091 1.00 0.00 C ATOM 1088 O ARG A 92 -15.669 -6.021 6.923 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.891 -8.547 5.708 1.00 0.00 C ATOM 1090 CG ARG A 92 -14.195 -9.891 5.020 1.00 0.00 C ATOM 1091 CD ARG A 92 -15.178 -10.750 5.822 1.00 0.00 C ATOM 1092 NE ARG A 92 -14.473 -11.551 6.831 1.00 0.00 N ATOM 1093 CZ ARG A 92 -14.318 -11.325 8.139 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -14.943 -10.333 8.768 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -13.517 -12.129 8.818 1.00 0.00 N ATOM 0 H ARG A 92 -13.643 -7.559 3.477 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.840 -7.818 5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.854 -8.269 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.003 -8.656 6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.607 -9.703 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.265 -10.443 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -15.913 -10.109 6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.726 -11.408 5.148 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.038 -12.405 6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.566 -9.713 8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.799 -10.192 9.768 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.039 -12.894 8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.377 -11.984 9.818 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.811 -5.298 5.871 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.688 -4.003 6.527 1.00 0.00 C ATOM 1111 C GLN A 93 -14.714 -2.979 6.012 1.00 0.00 C ATOM 1112 O GLN A 93 -14.869 -1.933 6.647 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.260 -3.470 6.303 1.00 0.00 C ATOM 1114 CG GLN A 93 -11.184 -4.257 7.069 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.888 -3.604 8.413 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.771 -3.469 9.260 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.660 -3.178 8.641 1.00 0.00 N ATOM 0 H GLN A 93 -13.062 -5.469 5.200 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.888 -4.143 7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.032 -3.501 5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.219 -2.424 6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.519 -5.283 7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.271 -4.306 6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.939 -3.297 7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.432 -2.730 9.529 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.422 -3.231 4.902 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.361 -2.274 4.321 1.00 0.00 C ATOM 1128 C GLY A 94 -15.654 -1.057 3.716 1.00 0.00 C ATOM 1129 O GLY A 94 -16.253 0.014 3.604 1.00 0.00 O ATOM 0 H GLY A 94 -15.356 -4.107 4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.950 -2.770 3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.058 -1.941 5.090 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.384 -1.208 3.334 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.501 -0.175 2.798 1.00 0.00 C ATOM 1135 C GLN A 95 -13.173 -0.410 1.316 1.00 0.00 C ATOM 1136 O GLN A 95 -12.588 0.472 0.695 1.00 0.00 O ATOM 1137 CB GLN A 95 -12.219 -0.131 3.656 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.333 0.835 4.852 1.00 0.00 C ATOM 1139 CD GLN A 95 -11.853 2.264 4.560 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -11.397 2.615 3.478 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -11.969 3.174 5.514 1.00 0.00 N ATOM 0 H GLN A 95 -13.917 -2.113 3.395 1.00 0.00 H new ATOM 0 HA GLN A 95 -14.010 0.788 2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.999 -1.133 4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.379 0.170 3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.373 0.873 5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.755 0.433 5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.345 2.912 6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.682 4.137 5.338 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.539 -1.558 0.726 1.00 0.00 N ATOM 1151 CA LEU A 96 -13.139 -1.905 -0.642 1.00 0.00 C ATOM 1152 C LEU A 96 -13.541 -0.836 -1.653 1.00 0.00 C ATOM 1153 O LEU A 96 -12.712 -0.423 -2.465 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.682 -3.274 -1.058 1.00 0.00 C ATOM 1155 CG LEU A 96 -13.158 -3.733 -2.435 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.627 -3.792 -2.510 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.707 -5.122 -2.731 1.00 0.00 C ATOM 0 H LEU A 96 -14.116 -2.265 1.181 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.050 -1.957 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.407 -4.013 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.771 -3.235 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.494 -2.997 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.324 -4.122 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.215 -2.802 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.253 -4.494 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.343 -5.458 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.375 -5.817 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.796 -5.088 -2.743 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.791 -0.377 -1.607 1.00 0.00 N ATOM 1170 CA ASP A 97 -15.256 0.707 -2.466 1.00 0.00 C ATOM 1171 C ASP A 97 -14.465 1.984 -2.186 1.00 0.00 C ATOM 1172 O ASP A 97 -13.960 2.597 -3.128 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.753 0.932 -2.280 1.00 0.00 C ATOM 1174 CG ASP A 97 -17.209 2.202 -2.991 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -17.312 2.193 -4.240 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -17.491 3.210 -2.306 1.00 0.00 O ATOM 0 H ASP A 97 -15.504 -0.744 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 97 -15.087 0.427 -3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.304 0.076 -2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.984 1.003 -1.217 1.00 0.00 H new ATOM 1181 N SER A 98 -14.289 2.344 -0.912 1.00 0.00 N ATOM 1182 CA SER A 98 -13.584 3.553 -0.490 1.00 0.00 C ATOM 1183 C SER A 98 -12.176 3.641 -1.087 1.00 0.00 C ATOM 1184 O SER A 98 -11.720 4.743 -1.411 1.00 0.00 O ATOM 1185 CB SER A 98 -13.472 3.617 1.038 1.00 0.00 C ATOM 1186 OG SER A 98 -14.716 3.475 1.703 1.00 0.00 O ATOM 0 H SER A 98 -14.640 1.791 -0.131 1.00 0.00 H new ATOM 0 HA SER A 98 -14.173 4.394 -0.857 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.796 2.833 1.378 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.024 4.569 1.322 1.00 0.00 H new ATOM 0 HG SER A 98 -14.576 3.523 2.672 1.00 0.00 H new ATOM 1192 N VAL A 99 -11.479 2.510 -1.243 1.00 0.00 N ATOM 1193 CA VAL A 99 -10.100 2.495 -1.722 1.00 0.00 C ATOM 1194 C VAL A 99 -10.025 2.359 -3.250 1.00 0.00 C ATOM 1195 O VAL A 99 -8.926 2.383 -3.803 1.00 0.00 O ATOM 1196 CB VAL A 99 -9.266 1.437 -0.973 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -9.279 1.698 0.544 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.701 -0.002 -1.256 1.00 0.00 C ATOM 0 H VAL A 99 -11.857 1.584 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.652 3.462 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.251 1.540 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.683 0.938 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.858 2.683 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.305 1.659 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.069 -0.690 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.740 -0.134 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.605 -0.208 -2.322 1.00 0.00 H new ATOM 1208 N GLY A 100 -11.166 2.244 -3.939 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.244 2.244 -5.393 1.00 0.00 C ATOM 1210 C GLY A 100 -11.916 1.008 -5.989 1.00 0.00 C ATOM 1211 O GLY A 100 -11.722 0.730 -7.175 1.00 0.00 O ATOM 0 H GLY A 100 -12.075 2.147 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.790 3.131 -5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.236 2.326 -5.799 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.670 0.250 -5.191 1.00 0.00 N ATOM 1216 CA GLY A 101 -13.560 -0.806 -5.657 1.00 0.00 C ATOM 1217 C GLY A 101 -12.892 -1.990 -6.341 1.00 0.00 C ATOM 1218 O GLY A 101 -13.321 -2.370 -7.434 1.00 0.00 O ATOM 0 H GLY A 101 -12.676 0.359 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.128 -1.178 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.278 -0.369 -6.351 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.872 -2.585 -5.715 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.998 -3.648 -6.238 1.00 0.00 C ATOM 1224 C PHE A 102 -10.162 -3.160 -7.420 1.00 0.00 C ATOM 1225 O PHE A 102 -8.941 -3.270 -7.371 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.753 -4.963 -6.554 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.895 -6.231 -6.532 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.760 -6.362 -7.357 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -11.234 -7.305 -5.682 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -8.926 -7.491 -7.259 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -10.416 -8.451 -5.609 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.232 -8.529 -6.365 1.00 0.00 C ATOM 0 H PHE A 102 -11.615 -2.321 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.307 -3.897 -5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.563 -5.080 -5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.212 -4.872 -7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.528 -5.587 -8.073 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.130 -7.249 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.043 -7.560 -7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -10.700 -9.274 -4.969 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.569 -9.375 -6.259 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.783 -2.616 -8.465 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.146 -2.238 -9.714 1.00 0.00 C ATOM 1244 C ALA A 103 -8.933 -1.332 -9.498 1.00 0.00 C ATOM 1245 O ALA A 103 -7.915 -1.537 -10.150 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.180 -1.583 -10.629 1.00 0.00 C ATOM 0 H ALA A 103 -11.784 -2.421 -8.459 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.764 -3.140 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.706 -1.298 -11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.987 -2.288 -10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.586 -0.696 -10.143 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.992 -0.390 -8.549 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.828 0.450 -8.246 1.00 0.00 C ATOM 1254 C TYR A 104 -6.652 -0.364 -7.688 1.00 0.00 C ATOM 1255 O TYR A 104 -5.494 -0.109 -8.005 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.234 1.521 -7.239 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.124 2.482 -6.872 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -6.854 3.580 -7.707 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.371 2.289 -5.696 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -5.874 4.518 -7.345 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.372 3.211 -5.337 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.141 4.341 -6.151 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.280 5.308 -5.741 1.00 0.00 O ATOM 0 H TYR A 104 -9.819 -0.192 -7.986 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.493 0.907 -9.177 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.070 2.089 -7.647 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.592 1.034 -6.332 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.402 3.702 -8.630 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.562 1.431 -5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -5.681 5.372 -7.978 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.785 3.056 -4.444 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.616 4.919 -5.134 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.932 -1.368 -6.857 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.914 -2.247 -6.289 1.00 0.00 C ATOM 1275 C LEU A 105 -5.299 -3.092 -7.398 1.00 0.00 C ATOM 1276 O LEU A 105 -4.086 -3.287 -7.443 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.531 -3.194 -5.251 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.511 -2.586 -4.239 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -8.105 -3.716 -3.400 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.810 -1.567 -3.346 1.00 0.00 C ATOM 0 H LEU A 105 -7.880 -1.595 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.157 -1.627 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.049 -3.990 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.718 -3.661 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.305 -2.062 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.805 -3.301 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.629 -4.416 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.305 -4.239 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.526 -1.151 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.002 -2.056 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.400 -0.766 -3.961 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.150 -3.597 -8.295 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.730 -4.354 -9.455 1.00 0.00 C ATOM 1294 C ALA A 106 -4.902 -3.481 -10.399 1.00 0.00 C ATOM 1295 O ALA A 106 -3.983 -3.985 -11.043 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.964 -4.947 -10.139 1.00 0.00 C ATOM 0 H ALA A 106 -7.161 -3.485 -8.226 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.084 -5.177 -9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.655 -5.519 -11.014 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.486 -5.603 -9.442 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.631 -4.142 -10.448 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.192 -2.186 -10.479 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.385 -1.217 -11.198 1.00 0.00 C ATOM 1304 C GLU A 107 -3.011 -1.099 -10.537 1.00 0.00 C ATOM 1305 O GLU A 107 -2.017 -1.202 -11.248 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.138 0.116 -11.322 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.289 1.242 -11.928 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.094 2.046 -12.940 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -5.817 2.995 -12.549 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -5.024 1.696 -14.143 1.00 0.00 O ATOM 0 H GLU A 107 -6.014 -1.776 -10.035 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.207 -1.552 -12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.025 -0.032 -11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.484 0.423 -10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.932 1.900 -11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.409 0.819 -12.412 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.916 -0.975 -9.203 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.612 -0.944 -8.527 1.00 0.00 C ATOM 1319 C LEU A 108 -0.819 -2.205 -8.863 1.00 0.00 C ATOM 1320 O LEU A 108 0.342 -2.130 -9.264 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.704 -0.829 -6.990 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.523 0.325 -6.384 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.040 0.580 -4.951 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -2.411 1.623 -7.181 1.00 0.00 C ATOM 0 H LEU A 108 -3.718 -0.895 -8.578 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.115 -0.046 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.120 -1.763 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.688 -0.753 -6.603 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.570 0.022 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.615 1.396 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.178 -0.322 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.983 0.847 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.011 2.397 -6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.369 1.941 -7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.773 1.459 -8.196 1.00 0.00 H new ATOM 1336 N SER A 109 -1.470 -3.364 -8.739 1.00 0.00 N ATOM 1337 CA SER A 109 -0.906 -4.668 -9.045 1.00 0.00 C ATOM 1338 C SER A 109 -0.366 -4.667 -10.482 1.00 0.00 C ATOM 1339 O SER A 109 0.769 -5.067 -10.738 1.00 0.00 O ATOM 1340 CB SER A 109 -2.006 -5.716 -8.822 1.00 0.00 C ATOM 1341 OG SER A 109 -1.647 -7.023 -9.220 1.00 0.00 O ATOM 0 H SER A 109 -2.435 -3.415 -8.412 1.00 0.00 H new ATOM 0 HA SER A 109 -0.064 -4.909 -8.396 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.271 -5.730 -7.765 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.898 -5.413 -9.370 1.00 0.00 H new ATOM 0 HG SER A 109 -2.393 -7.634 -9.047 1.00 0.00 H new ATOM 1347 N LYS A 110 -1.151 -4.179 -11.445 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.762 -4.172 -12.854 1.00 0.00 C ATOM 1349 C LYS A 110 0.254 -3.074 -13.179 1.00 0.00 C ATOM 1350 O LYS A 110 0.922 -3.161 -14.210 1.00 0.00 O ATOM 1351 CB LYS A 110 -2.030 -4.095 -13.715 1.00 0.00 C ATOM 1352 CG LYS A 110 -1.789 -4.453 -15.192 1.00 0.00 C ATOM 1353 CD LYS A 110 -3.106 -4.711 -15.940 1.00 0.00 C ATOM 1354 CE LYS A 110 -3.789 -6.031 -15.546 1.00 0.00 C ATOM 1355 NZ LYS A 110 -3.142 -7.232 -16.114 1.00 0.00 N ATOM 0 H LYS A 110 -2.072 -3.779 -11.269 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.240 -5.100 -13.086 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.781 -4.769 -13.303 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.440 -3.087 -13.656 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.248 -3.642 -15.679 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.157 -5.339 -15.253 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.791 -3.885 -15.748 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.910 -4.719 -17.012 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.797 -6.114 -14.459 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.829 -6.002 -15.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.656 -8.082 -15.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.157 -7.176 -17.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.157 -7.285 -15.784 1.00 0.00 H new ATOM 1369 N ASN A 111 0.419 -2.073 -12.318 1.00 0.00 N ATOM 1370 CA ASN A 111 1.385 -0.975 -12.444 1.00 0.00 C ATOM 1371 C ASN A 111 2.659 -1.254 -11.647 1.00 0.00 C ATOM 1372 O ASN A 111 3.443 -0.351 -11.344 1.00 0.00 O ATOM 1373 CB ASN A 111 0.755 0.366 -12.010 1.00 0.00 C ATOM 1374 CG ASN A 111 -0.377 0.887 -12.890 1.00 0.00 C ATOM 1375 OD1 ASN A 111 -0.834 0.241 -13.834 1.00 0.00 O ATOM 1376 ND2 ASN A 111 -0.834 2.096 -12.628 1.00 0.00 N ATOM 0 H ASN A 111 -0.143 -1.998 -11.470 1.00 0.00 H new ATOM 0 HA ASN A 111 1.660 -0.902 -13.496 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.377 0.256 -10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.541 1.121 -11.978 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.569 2.500 -13.208 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.452 2.627 -11.845 1.00 0.00 H new ATOM 1383 N THR A 112 2.857 -2.509 -11.275 1.00 0.00 N ATOM 1384 CA THR A 112 4.011 -2.960 -10.525 1.00 0.00 C ATOM 1385 C THR A 112 5.145 -3.303 -11.502 1.00 0.00 C ATOM 1386 O THR A 112 4.951 -4.164 -12.367 1.00 0.00 O ATOM 1387 CB THR A 112 3.600 -4.158 -9.677 1.00 0.00 C ATOM 1388 OG1 THR A 112 2.592 -3.749 -8.785 1.00 0.00 O ATOM 1389 CG2 THR A 112 4.756 -4.674 -8.836 1.00 0.00 C ATOM 0 H THR A 112 2.201 -3.259 -11.494 1.00 0.00 H new ATOM 0 HA THR A 112 4.377 -2.180 -9.857 1.00 0.00 H new ATOM 0 HB THR A 112 3.265 -4.946 -10.351 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.937 -3.198 -9.262 1.00 0.00 H new ATOM 0 HG21 THR A 112 4.424 -5.528 -8.246 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.573 -4.980 -9.489 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.102 -3.884 -8.169 1.00 0.00 H new ATOM 1397 N PRO A 113 6.343 -2.708 -11.366 1.00 0.00 N ATOM 1398 CA PRO A 113 7.518 -3.063 -12.159 1.00 0.00 C ATOM 1399 C PRO A 113 8.155 -4.368 -11.634 1.00 0.00 C ATOM 1400 O PRO A 113 9.344 -4.419 -11.316 1.00 0.00 O ATOM 1401 CB PRO A 113 8.419 -1.827 -12.046 1.00 0.00 C ATOM 1402 CG PRO A 113 8.156 -1.348 -10.617 1.00 0.00 C ATOM 1403 CD PRO A 113 6.663 -1.616 -10.453 1.00 0.00 C ATOM 0 HA PRO A 113 7.304 -3.286 -13.204 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.469 -2.075 -12.203 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.158 -1.067 -12.782 1.00 0.00 H new ATOM 0 HG2 PRO A 113 8.750 -1.899 -9.888 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.396 -0.292 -10.492 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.427 -1.887 -9.424 1.00 0.00 H new ATOM 0 HD3 PRO A 113 6.079 -0.726 -10.690 1.00 0.00 H new ATOM 1411 N SER A 114 7.367 -5.440 -11.518 1.00 0.00 N ATOM 1412 CA SER A 114 7.688 -6.708 -10.869 1.00 0.00 C ATOM 1413 C SER A 114 8.184 -6.519 -9.426 1.00 0.00 C ATOM 1414 O SER A 114 7.379 -6.593 -8.502 1.00 0.00 O ATOM 1415 CB SER A 114 8.598 -7.553 -11.773 1.00 0.00 C ATOM 1416 OG SER A 114 8.350 -8.929 -11.571 1.00 0.00 O ATOM 0 H SER A 114 6.422 -5.442 -11.903 1.00 0.00 H new ATOM 0 HA SER A 114 6.774 -7.288 -10.745 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.425 -7.295 -12.818 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.643 -7.330 -11.559 1.00 0.00 H new ATOM 0 HG SER A 114 8.935 -9.456 -12.154 1.00 0.00 H new ATOM 1422 N ALA A 115 9.480 -6.269 -9.215 1.00 0.00 N ATOM 1423 CA ALA A 115 10.078 -5.985 -7.915 1.00 0.00 C ATOM 1424 C ALA A 115 11.150 -4.890 -8.010 1.00 0.00 C ATOM 1425 O ALA A 115 11.969 -4.780 -7.095 1.00 0.00 O ATOM 1426 CB ALA A 115 10.648 -7.276 -7.317 1.00 0.00 C ATOM 0 H ALA A 115 10.162 -6.259 -9.974 1.00 0.00 H new ATOM 0 HA ALA A 115 9.301 -5.604 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.094 -7.061 -6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.847 -8.005 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 115 11.409 -7.681 -7.984 1.00 0.00 H new ATOM 1432 N ALA A 116 11.178 -4.114 -9.103 1.00 0.00 N ATOM 1433 CA ALA A 116 12.243 -3.181 -9.465 1.00 0.00 C ATOM 1434 C ALA A 116 12.668 -2.304 -8.291 1.00 0.00 C ATOM 1435 O ALA A 116 11.973 -1.348 -7.951 1.00 0.00 O ATOM 1436 CB ALA A 116 11.832 -2.301 -10.647 1.00 0.00 C ATOM 0 H ALA A 116 10.422 -4.124 -9.787 1.00 0.00 H new ATOM 0 HA ALA A 116 13.099 -3.790 -9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.645 -1.618 -10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.614 -2.930 -11.510 1.00 0.00 H new ATOM 0 HB3 ALA A 116 10.944 -1.727 -10.382 1.00 0.00 H new ATOM 1442 N ASN A 117 13.824 -2.633 -7.707 1.00 0.00 N ATOM 1443 CA ASN A 117 14.511 -1.870 -6.666 1.00 0.00 C ATOM 1444 C ASN A 117 13.553 -1.508 -5.532 1.00 0.00 C ATOM 1445 O ASN A 117 13.667 -0.433 -4.946 1.00 0.00 O ATOM 1446 CB ASN A 117 15.203 -0.644 -7.291 1.00 0.00 C ATOM 1447 CG ASN A 117 16.057 -1.000 -8.500 1.00 0.00 C ATOM 1448 OD1 ASN A 117 16.629 -2.087 -8.576 1.00 0.00 O ATOM 1449 ND2 ASN A 117 16.138 -0.142 -9.498 1.00 0.00 N ATOM 0 H ASN A 117 14.330 -3.481 -7.962 1.00 0.00 H new ATOM 0 HA ASN A 117 15.290 -2.485 -6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 117 14.446 0.082 -7.588 1.00 0.00 H new ATOM 0 HB3 ASN A 117 15.829 -0.163 -6.539 1.00 0.00 H new ATOM 0 HD21 ASN A 117 16.675 -0.379 -10.332 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.664 0.759 -9.436 1.00 0.00 H new ATOM 1456 N ILE A 118 12.593 -2.386 -5.219 1.00 0.00 N ATOM 1457 CA ILE A 118 11.494 -2.041 -4.333 1.00 0.00 C ATOM 1458 C ILE A 118 11.953 -1.634 -2.929 1.00 0.00 C ATOM 1459 O ILE A 118 11.318 -0.769 -2.330 1.00 0.00 O ATOM 1460 CB ILE A 118 10.361 -3.092 -4.420 1.00 0.00 C ATOM 1461 CG1 ILE A 118 9.510 -2.710 -5.657 1.00 0.00 C ATOM 1462 CG2 ILE A 118 9.509 -3.172 -3.141 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.227 -3.514 -5.815 1.00 0.00 C ATOM 0 H ILE A 118 12.562 -3.343 -5.572 1.00 0.00 H new ATOM 0 HA ILE A 118 11.035 -1.118 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 118 10.785 -4.091 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.255 -1.652 -5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.117 -2.839 -6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.733 -3.927 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.144 -3.442 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.046 -2.204 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.695 -3.180 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.470 -4.572 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.595 -3.367 -4.939 1.00 0.00 H new ATOM 1475 N SER A 119 13.074 -2.152 -2.430 1.00 0.00 N ATOM 1476 CA SER A 119 13.689 -1.677 -1.196 1.00 0.00 C ATOM 1477 C SER A 119 14.011 -0.181 -1.273 1.00 0.00 C ATOM 1478 O SER A 119 13.612 0.609 -0.419 1.00 0.00 O ATOM 1479 CB SER A 119 14.956 -2.495 -0.927 1.00 0.00 C ATOM 1480 OG SER A 119 14.760 -3.863 -1.233 1.00 0.00 O ATOM 0 H SER A 119 13.582 -2.917 -2.874 1.00 0.00 H new ATOM 0 HA SER A 119 12.987 -1.810 -0.373 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.779 -2.101 -1.523 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.243 -2.392 0.120 1.00 0.00 H new ATOM 0 HG SER A 119 15.585 -4.360 -1.053 1.00 0.00 H new ATOM 1486 N ALA A 120 14.699 0.208 -2.342 1.00 0.00 N ATOM 1487 CA ALA A 120 15.118 1.573 -2.626 1.00 0.00 C ATOM 1488 C ALA A 120 13.916 2.479 -2.931 1.00 0.00 C ATOM 1489 O ALA A 120 13.956 3.677 -2.639 1.00 0.00 O ATOM 1490 CB ALA A 120 16.099 1.548 -3.803 1.00 0.00 C ATOM 0 H ALA A 120 14.992 -0.450 -3.065 1.00 0.00 H new ATOM 0 HA ALA A 120 15.609 1.988 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.423 2.564 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.966 0.941 -3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.607 1.121 -4.677 1.00 0.00 H new ATOM 1496 N TYR A 121 12.844 1.924 -3.504 1.00 0.00 N ATOM 1497 CA TYR A 121 11.575 2.613 -3.690 1.00 0.00 C ATOM 1498 C TYR A 121 10.888 2.842 -2.345 1.00 0.00 C ATOM 1499 O TYR A 121 10.367 3.933 -2.115 1.00 0.00 O ATOM 1500 CB TYR A 121 10.630 1.815 -4.597 1.00 0.00 C ATOM 1501 CG TYR A 121 10.728 2.046 -6.094 1.00 0.00 C ATOM 1502 CD1 TYR A 121 11.969 2.108 -6.760 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.537 2.214 -6.828 1.00 0.00 C ATOM 1504 CE1 TYR A 121 12.015 2.365 -8.143 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.575 2.449 -8.212 1.00 0.00 C ATOM 1506 CZ TYR A 121 10.817 2.531 -8.876 1.00 0.00 C ATOM 1507 OH TYR A 121 10.842 2.824 -10.202 1.00 0.00 O ATOM 0 H TYR A 121 12.839 0.967 -3.856 1.00 0.00 H new ATOM 0 HA TYR A 121 11.795 3.570 -4.163 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.800 0.755 -4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 121 9.607 2.033 -4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 121 12.885 1.958 -6.208 1.00 0.00 H new ATOM 0 HD2 TYR A 121 8.585 2.161 -6.321 1.00 0.00 H new ATOM 0 HE1 TYR A 121 12.968 2.436 -8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 121 8.656 2.567 -8.767 1.00 0.00 H new ATOM 0 HH TYR A 121 9.924 2.900 -10.538 1.00 0.00 H new ATOM 1517 N ALA A 122 10.846 1.847 -1.459 1.00 0.00 N ATOM 1518 CA ALA A 122 10.291 2.015 -0.125 1.00 0.00 C ATOM 1519 C ALA A 122 11.097 3.051 0.645 1.00 0.00 C ATOM 1520 O ALA A 122 10.520 3.819 1.407 1.00 0.00 O ATOM 1521 CB ALA A 122 10.269 0.679 0.605 1.00 0.00 C ATOM 0 H ALA A 122 11.195 0.908 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 122 9.264 2.372 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.852 0.816 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.655 -0.029 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.285 0.292 0.687 1.00 0.00 H new ATOM 1527 N ASP A 123 12.405 3.127 0.401 1.00 0.00 N ATOM 1528 CA ASP A 123 13.252 4.173 0.957 1.00 0.00 C ATOM 1529 C ASP A 123 12.795 5.546 0.490 1.00 0.00 C ATOM 1530 O ASP A 123 12.738 6.469 1.291 1.00 0.00 O ATOM 1531 CB ASP A 123 14.720 3.952 0.596 1.00 0.00 C ATOM 1532 CG ASP A 123 15.590 4.159 1.827 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.717 5.302 2.329 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.150 3.145 2.296 1.00 0.00 O ATOM 0 H ASP A 123 12.905 2.462 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 123 13.160 4.126 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.860 2.944 0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.018 4.643 -0.192 1.00 0.00 H new ATOM 1539 N ILE A 124 12.397 5.691 -0.776 1.00 0.00 N ATOM 1540 CA ILE A 124 11.823 6.935 -1.280 1.00 0.00 C ATOM 1541 C ILE A 124 10.509 7.239 -0.558 1.00 0.00 C ATOM 1542 O ILE A 124 10.303 8.400 -0.214 1.00 0.00 O ATOM 1543 CB ILE A 124 11.692 6.894 -2.819 1.00 0.00 C ATOM 1544 CG1 ILE A 124 13.102 7.002 -3.430 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.771 7.978 -3.409 1.00 0.00 C ATOM 1546 CD1 ILE A 124 13.167 6.427 -4.843 1.00 0.00 C ATOM 0 H ILE A 124 12.464 4.952 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 124 12.495 7.765 -1.062 1.00 0.00 H new ATOM 0 HB ILE A 124 11.217 5.947 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.407 8.048 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.813 6.476 -2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.737 7.876 -4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.766 7.863 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.157 8.964 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 124 14.181 6.527 -5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 124 12.889 5.373 -4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 124 12.477 6.970 -5.489 1.00 0.00 H new ATOM 1558 N VAL A 125 9.638 6.255 -0.306 1.00 0.00 N ATOM 1559 CA VAL A 125 8.406 6.486 0.455 1.00 0.00 C ATOM 1560 C VAL A 125 8.762 6.964 1.868 1.00 0.00 C ATOM 1561 O VAL A 125 8.250 7.993 2.301 1.00 0.00 O ATOM 1562 CB VAL A 125 7.493 5.241 0.473 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.172 5.551 1.201 1.00 0.00 C ATOM 1564 CG2 VAL A 125 7.176 4.748 -0.948 1.00 0.00 C ATOM 0 H VAL A 125 9.764 5.292 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 125 7.830 7.267 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 125 8.033 4.456 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.541 4.662 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.384 5.849 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.655 6.361 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.531 3.871 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.668 5.537 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.103 4.486 -1.457 1.00 0.00 H new ATOM 1574 N ARG A 126 9.664 6.263 2.561 1.00 0.00 N ATOM 1575 CA ARG A 126 10.191 6.616 3.878 1.00 0.00 C ATOM 1576 C ARG A 126 10.697 8.047 3.865 1.00 0.00 C ATOM 1577 O ARG A 126 10.268 8.862 4.669 1.00 0.00 O ATOM 1578 CB ARG A 126 11.268 5.583 4.246 1.00 0.00 C ATOM 1579 CG ARG A 126 12.118 5.836 5.503 1.00 0.00 C ATOM 1580 CD ARG A 126 13.527 6.357 5.182 1.00 0.00 C ATOM 1581 NE ARG A 126 14.451 6.054 6.288 1.00 0.00 N ATOM 1582 CZ ARG A 126 15.687 5.533 6.233 1.00 0.00 C ATOM 1583 NH1 ARG A 126 16.276 5.192 5.088 1.00 0.00 N ATOM 1584 NH2 ARG A 126 16.339 5.335 7.370 1.00 0.00 N ATOM 0 H ARG A 126 10.063 5.396 2.201 1.00 0.00 H new ATOM 0 HA ARG A 126 9.419 6.583 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.776 4.617 4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.947 5.493 3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.607 6.557 6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.200 4.910 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.890 5.900 4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.494 7.433 5.012 1.00 0.00 H new ATOM 0 HE ARG A 126 14.105 6.269 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.786 5.324 4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.217 4.799 5.096 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.900 5.577 8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.279 4.940 7.357 1.00 0.00 H new ATOM 1598 N GLU A 127 11.568 8.386 2.928 1.00 0.00 N ATOM 1599 CA GLU A 127 12.155 9.705 2.802 1.00 0.00 C ATOM 1600 C GLU A 127 11.088 10.763 2.549 1.00 0.00 C ATOM 1601 O GLU A 127 11.123 11.846 3.123 1.00 0.00 O ATOM 1602 CB GLU A 127 13.132 9.656 1.639 1.00 0.00 C ATOM 1603 CG GLU A 127 14.185 10.756 1.698 1.00 0.00 C ATOM 1604 CD GLU A 127 15.331 10.333 0.792 1.00 0.00 C ATOM 1605 OE1 GLU A 127 15.233 10.598 -0.431 1.00 0.00 O ATOM 1606 OE2 GLU A 127 16.273 9.672 1.289 1.00 0.00 O ATOM 0 H GLU A 127 11.893 7.732 2.216 1.00 0.00 H new ATOM 0 HA GLU A 127 12.662 9.977 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.629 8.686 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.579 9.740 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 127 13.766 11.707 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.535 10.898 2.720 1.00 0.00 H new ATOM 1613 N ARG A 128 10.118 10.463 1.687 1.00 0.00 N ATOM 1614 CA ARG A 128 8.999 11.361 1.420 1.00 0.00 C ATOM 1615 C ARG A 128 8.141 11.536 2.669 1.00 0.00 C ATOM 1616 O ARG A 128 7.669 12.651 2.890 1.00 0.00 O ATOM 1617 CB ARG A 128 8.168 10.858 0.227 1.00 0.00 C ATOM 1618 CG ARG A 128 8.891 11.048 -1.117 1.00 0.00 C ATOM 1619 CD ARG A 128 8.757 12.483 -1.637 1.00 0.00 C ATOM 1620 NE ARG A 128 9.816 12.804 -2.603 1.00 0.00 N ATOM 1621 CZ ARG A 128 9.702 13.445 -3.770 1.00 0.00 C ATOM 1622 NH1 ARG A 128 8.525 13.752 -4.301 1.00 0.00 N ATOM 1623 NH2 ARG A 128 10.804 13.812 -4.401 1.00 0.00 N ATOM 0 H ARG A 128 10.087 9.593 1.156 1.00 0.00 H new ATOM 0 HA ARG A 128 9.396 12.340 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.940 9.801 0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.216 11.389 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.946 10.801 -1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.481 10.355 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.782 12.612 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.802 13.180 -0.801 1.00 0.00 H new ATOM 0 HE ARG A 128 10.756 12.499 -2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.665 13.498 -3.816 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.481 14.242 -5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.717 13.605 -3.996 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.742 14.302 -5.293 1.00 0.00 H new ATOM 1637 N ALA A 129 7.956 10.505 3.493 1.00 0.00 N ATOM 1638 CA ALA A 129 7.271 10.597 4.774 1.00 0.00 C ATOM 1639 C ALA A 129 8.077 11.483 5.738 1.00 0.00 C ATOM 1640 O ALA A 129 7.518 12.371 6.383 1.00 0.00 O ATOM 1641 CB ALA A 129 7.022 9.192 5.332 1.00 0.00 C ATOM 0 H ALA A 129 8.287 9.564 3.280 1.00 0.00 H new ATOM 0 HA ALA A 129 6.297 11.070 4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.509 9.267 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.405 8.627 4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.975 8.681 5.469 1.00 0.00 H new ATOM 1647 N VAL A 130 9.396 11.301 5.789 1.00 0.00 N ATOM 1648 CA VAL A 130 10.343 12.106 6.555 1.00 0.00 C ATOM 1649 C VAL A 130 10.288 13.582 6.115 1.00 0.00 C ATOM 1650 O VAL A 130 10.286 14.482 6.953 1.00 0.00 O ATOM 1651 CB VAL A 130 11.735 11.441 6.439 1.00 0.00 C ATOM 1652 CG1 VAL A 130 12.883 12.336 6.908 1.00 0.00 C ATOM 1653 CG2 VAL A 130 11.779 10.126 7.234 1.00 0.00 C ATOM 0 H VAL A 130 9.854 10.551 5.271 1.00 0.00 H new ATOM 0 HA VAL A 130 10.085 12.134 7.614 1.00 0.00 H new ATOM 0 HB VAL A 130 11.878 11.252 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 130 13.828 11.804 6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 130 12.906 13.244 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 130 12.735 12.599 7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 130 12.767 9.676 7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 130 11.573 10.329 8.285 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.028 9.439 6.843 1.00 0.00 H new ATOM 1663 N VAL A 131 10.173 13.865 4.819 1.00 0.00 N ATOM 1664 CA VAL A 131 9.955 15.215 4.296 1.00 0.00 C ATOM 1665 C VAL A 131 8.545 15.710 4.657 1.00 0.00 C ATOM 1666 O VAL A 131 8.360 16.895 4.913 1.00 0.00 O ATOM 1667 CB VAL A 131 10.223 15.216 2.774 1.00 0.00 C ATOM 1668 CG1 VAL A 131 9.772 16.498 2.060 1.00 0.00 C ATOM 1669 CG2 VAL A 131 11.720 15.030 2.476 1.00 0.00 C ATOM 0 H VAL A 131 10.229 13.153 4.091 1.00 0.00 H new ATOM 0 HA VAL A 131 10.651 15.917 4.756 1.00 0.00 H new ATOM 0 HB VAL A 131 9.632 14.383 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.995 16.420 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.699 16.632 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 131 10.301 17.354 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 131 11.880 15.035 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 131 12.285 15.844 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 131 12.058 14.079 2.889 1.00 0.00 H new ATOM 1679 N ARG A 132 7.538 14.830 4.681 1.00 0.00 N ATOM 1680 CA ARG A 132 6.154 15.190 4.985 1.00 0.00 C ATOM 1681 C ARG A 132 6.003 15.673 6.419 1.00 0.00 C ATOM 1682 O ARG A 132 5.065 16.420 6.683 1.00 0.00 O ATOM 1683 CB ARG A 132 5.224 14.000 4.634 1.00 0.00 C ATOM 1684 CG ARG A 132 3.802 14.011 5.220 1.00 0.00 C ATOM 1685 CD ARG A 132 3.713 13.447 6.651 1.00 0.00 C ATOM 1686 NE ARG A 132 3.438 12.000 6.682 1.00 0.00 N ATOM 1687 CZ ARG A 132 4.144 11.039 7.299 1.00 0.00 C ATOM 1688 NH1 ARG A 132 5.357 11.241 7.800 1.00 0.00 N ATOM 1689 NH2 ARG A 132 3.622 9.831 7.418 1.00 0.00 N ATOM 0 H ARG A 132 7.666 13.837 4.487 1.00 0.00 H new ATOM 0 HA ARG A 132 5.853 16.036 4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.140 13.948 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.715 13.083 4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 132 3.427 15.034 5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 132 3.147 13.431 4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.649 13.645 7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.928 13.972 7.195 1.00 0.00 H new ATOM 0 HE ARG A 132 2.610 11.690 6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 132 5.793 12.160 7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 132 5.852 10.477 8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 132 2.693 9.638 7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 132 4.148 9.092 7.885 1.00 0.00 H new ATOM 1703 N GLU A 133 6.878 15.250 7.327 1.00 0.00 N ATOM 1704 CA GLU A 133 6.890 15.714 8.706 1.00 0.00 C ATOM 1705 C GLU A 133 7.859 16.885 8.852 1.00 0.00 C ATOM 1706 O GLU A 133 7.469 17.943 9.344 1.00 0.00 O ATOM 1707 CB GLU A 133 7.130 14.532 9.657 1.00 0.00 C ATOM 1708 CG GLU A 133 8.430 13.739 9.449 1.00 0.00 C ATOM 1709 CD GLU A 133 8.467 12.387 10.171 1.00 0.00 C ATOM 1710 OE1 GLU A 133 7.395 11.799 10.441 1.00 0.00 O ATOM 1711 OE2 GLU A 133 9.582 11.897 10.475 1.00 0.00 O ATOM 0 H GLU A 133 7.607 14.567 7.121 1.00 0.00 H new ATOM 0 HA GLU A 133 5.918 16.113 8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.120 14.909 10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 133 6.291 13.843 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 133 8.573 13.572 8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.270 14.344 9.792 1.00 0.00 H new ATOM 1718 N MET A 134 9.084 16.748 8.345 1.00 0.00 N ATOM 1719 CA MET A 134 10.078 17.822 8.288 1.00 0.00 C ATOM 1720 C MET A 134 9.853 18.713 7.054 1.00 0.00 C ATOM 1721 O MET A 134 10.784 18.981 6.280 1.00 0.00 O ATOM 1722 CB MET A 134 11.504 17.249 8.321 1.00 0.00 C ATOM 1723 CG MET A 134 11.819 16.457 9.591 1.00 0.00 C ATOM 1724 SD MET A 134 13.557 15.951 9.690 1.00 0.00 S ATOM 1725 CE MET A 134 13.521 15.109 11.293 1.00 0.00 C ATOM 0 H MET A 134 9.421 15.868 7.954 1.00 0.00 H new ATOM 0 HA MET A 134 9.956 18.449 9.171 1.00 0.00 H new ATOM 0 HB2 MET A 134 11.646 16.602 7.455 1.00 0.00 H new ATOM 0 HB3 MET A 134 12.217 18.068 8.228 1.00 0.00 H new ATOM 0 HG2 MET A 134 11.572 17.063 10.462 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.185 15.571 9.628 1.00 0.00 H new ATOM 0 HE1 MET A 134 14.515 14.726 11.525 1.00 0.00 H new ATOM 0 HE2 MET A 134 13.213 15.812 12.067 1.00 0.00 H new ATOM 0 HE3 MET A 134 12.813 14.281 11.253 1.00 0.00 H new ATOM 1735 N ILE A 135 8.620 19.189 6.856 1.00 0.00 N ATOM 1736 CA ILE A 135 8.308 20.184 5.831 1.00 0.00 C ATOM 1737 C ILE A 135 9.140 21.450 6.097 1.00 0.00 C ATOM 1738 O ILE A 135 9.658 22.052 5.149 1.00 0.00 O ATOM 1739 CB ILE A 135 6.797 20.527 5.776 1.00 0.00 C ATOM 1740 CG1 ILE A 135 5.849 19.352 6.110 1.00 0.00 C ATOM 1741 CG2 ILE A 135 6.486 21.064 4.368 1.00 0.00 C ATOM 1742 CD1 ILE A 135 4.383 19.773 6.267 1.00 0.00 C ATOM 0 H ILE A 135 7.811 18.894 7.403 1.00 0.00 H new ATOM 0 HA ILE A 135 8.563 19.762 4.859 1.00 0.00 H new ATOM 0 HB ILE A 135 6.610 21.268 6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 135 5.921 18.603 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 135 6.183 18.877 7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 135 5.427 21.314 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.083 21.956 4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 135 6.727 20.302 3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 135 3.776 18.898 6.500 1.00 0.00 H new ATOM 0 HD12 ILE A 135 4.298 20.500 7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.031 20.221 5.337 1.00 0.00 H new ATOM 1754 N SER A 136 9.306 21.784 7.383 1.00 0.00 N ATOM 1755 CA SER A 136 10.149 22.838 7.937 1.00 0.00 C ATOM 1756 C SER A 136 9.971 24.137 7.170 1.00 0.00 C ATOM 1757 O SER A 136 10.941 24.652 6.581 1.00 0.00 O ATOM 1758 CB SER A 136 11.601 22.354 8.044 1.00 0.00 C ATOM 1759 OG SER A 136 11.659 21.035 8.572 1.00 0.00 O ATOM 1760 OXT SER A 136 8.845 24.682 7.173 1.00 0.00 O ATOM 0 H SER A 136 8.811 21.279 8.119 1.00 0.00 H new ATOM 0 HA SER A 136 9.835 23.066 8.955 1.00 0.00 H new ATOM 0 HB2 SER A 136 12.070 22.377 7.060 1.00 0.00 H new ATOM 0 HB3 SER A 136 12.168 23.031 8.683 1.00 0.00 H new ATOM 0 HG SER A 136 12.594 20.747 8.630 1.00 0.00 H new TER 1766 SER A 136