USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HE2:sc= -0.997 K(o=-0.97,f=-2) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0252 USER MOD Set 2.1: A 74 ASN : amide:sc= -4.35! C(o=-5!,f=-6.5!) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.656 X(o=-5,f=-5.2) USER MOD Set 3.1: A 65 ASN : amide:sc= 0 X(o=-0.029,f=-0.15) USER MOD Set 3.2: A 72 SER OG : rot -130:sc= -0.029 USER MOD Set 4.1: A 51 THR OG1 : rot 167:sc= 0.0271 USER MOD Set 4.2: A 53 TYR OH : rot 180:sc= 0.0344 USER MOD Set 5.1: A 24 SER OG : rot -30:sc= 1.12 USER MOD Set 5.2: A 27 ASN :FLIP amide:sc= -0.985 F(o=-3.6!,f=0.13) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -153:sc= -11.1! (180deg=-13.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0.708 (180deg=0.606) USER MOD Single : A 36 SER OG : rot -94:sc= -1.62! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 39 ASN : amide:sc= -2.06! X(o=-2.1!,f=-2.1) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00304 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 51:sc= 0.252 USER MOD Single : A 57 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.5) USER MOD Single : A 59 ASN : amide:sc= -2.5! C(o=-2.5!,f=-6.5!) USER MOD Single : A 60 SER OG : rot -118:sc= 0.236 USER MOD Single : A 69 THR OG1 : rot 74:sc= 0.196 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00634 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -44:sc= 0.196 USER MOD Single : A 91 SER OG : rot 180:sc= -0.533 USER MOD Single : A 93 ASN : amide:sc= 0.224 X(o=0.22,f=-0.23) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -25:sc= 0.295 USER MOD Single : A 103 ASN : amide:sc= -1.97! C(o=-2!,f=-2.3!) USER MOD Single : A 105 MET CE :methyl -136:sc= -0.427 (180deg=-2.18) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.123 F(o=-1.6,f=-0.12) USER MOD Single : A 113 ASN : amide:sc= -0.026 X(o=-0.026,f=-0.31) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -60:sc= 1.15 USER MOD Single : A 121 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.865 -10.768 2.452 1.00 0.00 N ATOM 2 CA LYS A 1 -6.176 -10.984 1.152 1.00 0.00 C ATOM 3 C LYS A 1 -5.099 -9.930 0.918 1.00 0.00 C ATOM 4 O LYS A 1 -5.204 -9.114 0.005 1.00 0.00 O ATOM 5 CB LYS A 1 -7.220 -10.934 0.034 1.00 0.00 C ATOM 6 CG LYS A 1 -7.632 -12.304 -0.475 1.00 0.00 C ATOM 7 CD LYS A 1 -9.020 -12.272 -1.097 1.00 0.00 C ATOM 8 CE LYS A 1 -8.962 -11.892 -2.568 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.141 -10.427 -2.770 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.592 -11.499 2.585 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.172 -10.824 3.226 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.313 -9.829 2.456 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.684 -11.957 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.104 -10.410 0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.823 -10.351 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.909 -12.652 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.617 -13.019 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.490 -13.250 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.644 -11.558 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.004 -12.202 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.737 -12.431 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.095 -10.208 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.066 -10.135 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.387 -9.913 -2.271 1.00 0.00 H new ATOM 25 N VAL A 2 -4.066 -9.954 1.755 1.00 0.00 N ATOM 26 CA VAL A 2 -2.967 -9.000 1.647 1.00 0.00 C ATOM 27 C VAL A 2 -1.748 -9.640 0.986 1.00 0.00 C ATOM 28 O VAL A 2 -1.433 -10.802 1.246 1.00 0.00 O ATOM 29 CB VAL A 2 -2.558 -8.469 3.040 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.268 -7.669 2.967 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.665 -7.619 3.639 1.00 0.00 C ATOM 0 H VAL A 2 -3.967 -10.625 2.517 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.319 -8.172 1.031 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.390 -9.332 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.006 -7.309 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.467 -8.304 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.404 -6.819 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.355 -7.256 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.867 -6.771 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.569 -8.219 3.743 1.00 0.00 H new ATOM 41 N PHE A 3 -1.041 -8.869 0.159 1.00 0.00 N ATOM 42 CA PHE A 3 0.162 -9.358 -0.496 1.00 0.00 C ATOM 43 C PHE A 3 1.294 -9.468 0.514 1.00 0.00 C ATOM 44 O PHE A 3 1.223 -8.904 1.605 1.00 0.00 O ATOM 45 CB PHE A 3 0.604 -8.399 -1.603 1.00 0.00 C ATOM 46 CG PHE A 3 -0.230 -8.447 -2.846 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.309 -9.600 -3.604 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.923 -7.324 -3.263 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.066 -9.633 -4.758 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.680 -7.350 -4.412 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.754 -8.506 -5.163 1.00 0.00 C ATOM 0 H PHE A 3 -1.284 -7.905 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.064 -10.335 -0.924 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.588 -7.382 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.638 -8.623 -1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.227 -10.484 -3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.869 -6.417 -2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.120 -10.539 -5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.216 -6.466 -4.726 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.348 -8.529 -6.065 1.00 0.00 H new ATOM 61 N GLY A 4 2.346 -10.172 0.133 1.00 0.00 N ATOM 62 CA GLY A 4 3.493 -10.316 1.006 1.00 0.00 C ATOM 63 C GLY A 4 4.480 -9.183 0.808 1.00 0.00 C ATOM 64 O GLY A 4 4.105 -8.105 0.347 1.00 0.00 O ATOM 0 H GLY A 4 2.428 -10.647 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.162 -10.336 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.985 -11.269 0.810 1.00 0.00 H new ATOM 68 N ARG A 5 5.741 -9.421 1.143 1.00 0.00 N ATOM 69 CA ARG A 5 6.769 -8.399 0.984 1.00 0.00 C ATOM 70 C ARG A 5 7.417 -8.498 -0.385 1.00 0.00 C ATOM 71 O ARG A 5 7.381 -7.546 -1.166 1.00 0.00 O ATOM 72 CB ARG A 5 7.827 -8.523 2.081 1.00 0.00 C ATOM 73 CG ARG A 5 7.310 -8.169 3.466 1.00 0.00 C ATOM 74 CD ARG A 5 7.326 -9.374 4.392 1.00 0.00 C ATOM 75 NE ARG A 5 8.622 -9.549 5.041 1.00 0.00 N ATOM 76 CZ ARG A 5 8.769 -9.804 6.338 1.00 0.00 C ATOM 77 NH1 ARG A 5 7.704 -9.913 7.121 1.00 0.00 N ATOM 78 NH2 ARG A 5 9.983 -9.949 6.853 1.00 0.00 N ATOM 0 H ARG A 5 6.076 -10.306 1.524 1.00 0.00 H new ATOM 0 HA ARG A 5 6.292 -7.423 1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.207 -9.544 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.668 -7.873 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.922 -7.374 3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.294 -7.782 3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.553 -9.257 5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.081 -10.271 3.823 1.00 0.00 H new ATOM 0 HE ARG A 5 9.462 -9.471 4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.769 -9.801 6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.820 -10.109 8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.804 -9.865 6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.095 -10.145 7.848 1.00 0.00 H new ATOM 92 N CYS A 6 8.009 -9.647 -0.681 1.00 0.00 N ATOM 93 CA CYS A 6 8.652 -9.839 -1.966 1.00 0.00 C ATOM 94 C CYS A 6 7.643 -10.257 -3.021 1.00 0.00 C ATOM 95 O CYS A 6 7.738 -9.835 -4.164 1.00 0.00 O ATOM 96 CB CYS A 6 9.765 -10.869 -1.878 1.00 0.00 C ATOM 97 SG CYS A 6 10.886 -10.636 -0.462 1.00 0.00 S ATOM 0 H CYS A 6 8.056 -10.450 -0.054 1.00 0.00 H new ATOM 0 HA CYS A 6 9.089 -8.884 -2.256 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.321 -11.863 -1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.348 -10.837 -2.798 1.00 0.00 H new ATOM 102 N GLU A 7 6.668 -11.075 -2.634 1.00 0.00 N ATOM 103 CA GLU A 7 5.644 -11.510 -3.576 1.00 0.00 C ATOM 104 C GLU A 7 5.149 -10.302 -4.358 1.00 0.00 C ATOM 105 O GLU A 7 5.139 -10.293 -5.593 1.00 0.00 O ATOM 106 CB GLU A 7 4.482 -12.179 -2.839 1.00 0.00 C ATOM 107 CG GLU A 7 4.388 -13.676 -3.083 1.00 0.00 C ATOM 108 CD GLU A 7 4.159 -14.461 -1.806 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.174 -14.168 -1.097 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.966 -15.369 -1.515 1.00 0.00 O ATOM 0 H GLU A 7 6.566 -11.445 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 7 6.071 -12.242 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.590 -12.000 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.548 -11.710 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.574 -13.877 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.306 -14.021 -3.558 1.00 0.00 H new ATOM 117 N LEU A 8 4.774 -9.268 -3.616 1.00 0.00 N ATOM 118 CA LEU A 8 4.309 -8.028 -4.206 1.00 0.00 C ATOM 119 C LEU A 8 5.433 -7.358 -4.993 1.00 0.00 C ATOM 120 O LEU A 8 5.197 -6.832 -6.077 1.00 0.00 O ATOM 121 CB LEU A 8 3.792 -7.086 -3.108 1.00 0.00 C ATOM 122 CG LEU A 8 3.238 -5.733 -3.582 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.347 -4.693 -3.655 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.541 -5.864 -4.931 1.00 0.00 C ATOM 0 H LEU A 8 4.785 -9.268 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 8 3.493 -8.251 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.008 -7.603 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.605 -6.897 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 8 2.500 -5.402 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.933 -3.743 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.791 -4.565 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.112 -5.025 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.160 -4.891 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.251 -6.228 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.713 -6.568 -4.846 1.00 0.00 H new ATOM 136 N ALA A 9 6.655 -7.379 -4.444 1.00 0.00 N ATOM 137 CA ALA A 9 7.797 -6.759 -5.114 1.00 0.00 C ATOM 138 C ALA A 9 8.083 -7.415 -6.458 1.00 0.00 C ATOM 139 O ALA A 9 8.173 -6.733 -7.476 1.00 0.00 O ATOM 140 CB ALA A 9 9.030 -6.798 -4.232 1.00 0.00 C ATOM 0 H ALA A 9 6.873 -7.814 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 9 7.537 -5.717 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.865 -6.331 -4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.832 -6.258 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.280 -7.834 -4.002 1.00 0.00 H new ATOM 146 N ALA A 10 8.217 -8.737 -6.462 1.00 0.00 N ATOM 147 CA ALA A 10 8.476 -9.466 -7.691 1.00 0.00 C ATOM 148 C ALA A 10 7.468 -9.054 -8.749 1.00 0.00 C ATOM 149 O ALA A 10 7.803 -8.922 -9.926 1.00 0.00 O ATOM 150 CB ALA A 10 8.413 -10.967 -7.445 1.00 0.00 C ATOM 0 H ALA A 10 8.150 -9.321 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 10 9.479 -9.225 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.610 -11.497 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.162 -11.246 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.422 -11.234 -7.078 1.00 0.00 H new ATOM 156 N ALA A 11 6.230 -8.830 -8.312 1.00 0.00 N ATOM 157 CA ALA A 11 5.179 -8.407 -9.220 1.00 0.00 C ATOM 158 C ALA A 11 5.483 -7.030 -9.767 1.00 0.00 C ATOM 159 O ALA A 11 5.215 -6.725 -10.929 1.00 0.00 O ATOM 160 CB ALA A 11 3.824 -8.432 -8.528 1.00 0.00 C ATOM 0 H ALA A 11 5.937 -8.935 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 11 5.139 -9.107 -10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.052 -8.111 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.608 -9.445 -8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.840 -7.758 -7.672 1.00 0.00 H new ATOM 166 N MET A 12 6.061 -6.216 -8.913 1.00 0.00 N ATOM 167 CA MET A 12 6.439 -4.852 -9.283 1.00 0.00 C ATOM 168 C MET A 12 7.462 -4.875 -10.408 1.00 0.00 C ATOM 169 O MET A 12 7.303 -4.195 -11.422 1.00 0.00 O ATOM 170 CB MET A 12 7.030 -4.100 -8.092 1.00 0.00 C ATOM 171 CG MET A 12 6.309 -4.350 -6.783 1.00 0.00 C ATOM 172 SD MET A 12 4.705 -3.533 -6.716 1.00 0.00 S ATOM 173 CE MET A 12 5.156 -1.891 -7.261 1.00 0.00 C ATOM 0 H MET A 12 6.285 -6.468 -7.950 1.00 0.00 H new ATOM 0 HA MET A 12 5.536 -4.339 -9.613 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.076 -4.385 -7.979 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.012 -3.031 -8.306 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.173 -5.423 -6.645 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.928 -3.998 -5.957 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.458 -1.165 -6.844 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.166 -1.660 -6.922 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.119 -1.846 -8.349 1.00 0.00 H new ATOM 183 N LYS A 13 8.517 -5.665 -10.215 1.00 0.00 N ATOM 184 CA LYS A 13 9.574 -5.785 -11.209 1.00 0.00 C ATOM 185 C LYS A 13 8.976 -6.097 -12.570 1.00 0.00 C ATOM 186 O LYS A 13 9.294 -5.447 -13.567 1.00 0.00 O ATOM 187 CB LYS A 13 10.564 -6.881 -10.807 1.00 0.00 C ATOM 188 CG LYS A 13 11.889 -6.805 -11.547 1.00 0.00 C ATOM 189 CD LYS A 13 12.730 -8.049 -11.310 1.00 0.00 C ATOM 190 CE LYS A 13 14.214 -7.722 -11.290 1.00 0.00 C ATOM 191 NZ LYS A 13 14.973 -8.522 -12.291 1.00 0.00 N ATOM 0 H LYS A 13 8.660 -6.230 -9.378 1.00 0.00 H new ATOM 0 HA LYS A 13 10.109 -4.837 -11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.752 -6.814 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.110 -7.855 -10.991 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.705 -6.687 -12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.440 -5.924 -11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.445 -8.508 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.528 -8.781 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.354 -6.660 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.614 -7.913 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.981 -8.269 -12.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.860 -9.535 -12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.609 -8.321 -13.244 1.00 0.00 H new ATOM 205 N ARG A 14 8.096 -7.090 -12.601 1.00 0.00 N ATOM 206 CA ARG A 14 7.439 -7.484 -13.834 1.00 0.00 C ATOM 207 C ARG A 14 6.593 -6.336 -14.364 1.00 0.00 C ATOM 208 O ARG A 14 6.479 -6.143 -15.575 1.00 0.00 O ATOM 209 CB ARG A 14 6.563 -8.718 -13.603 1.00 0.00 C ATOM 210 CG ARG A 14 7.358 -9.986 -13.338 1.00 0.00 C ATOM 211 CD ARG A 14 6.693 -10.848 -12.277 1.00 0.00 C ATOM 212 NE ARG A 14 5.369 -11.304 -12.692 1.00 0.00 N ATOM 213 CZ ARG A 14 4.693 -12.269 -12.076 1.00 0.00 C ATOM 214 NH1 ARG A 14 5.216 -12.878 -11.020 1.00 0.00 N ATOM 215 NH2 ARG A 14 3.495 -12.627 -12.515 1.00 0.00 N ATOM 0 H ARG A 14 7.823 -7.636 -11.784 1.00 0.00 H new ATOM 0 HA ARG A 14 8.203 -7.733 -14.571 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.901 -8.531 -12.758 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.929 -8.872 -14.476 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.456 -10.555 -14.262 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.366 -9.724 -13.017 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.323 -11.711 -12.064 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.607 -10.280 -11.351 1.00 0.00 H new ATOM 0 HE ARG A 14 4.938 -10.856 -13.501 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.138 -12.606 -10.679 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.696 -13.618 -10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.090 -12.162 -13.327 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.978 -13.368 -12.041 1.00 0.00 H new ATOM 229 N HIS A 15 5.975 -5.590 -13.450 1.00 0.00 N ATOM 230 CA HIS A 15 5.110 -4.482 -13.826 1.00 0.00 C ATOM 231 C HIS A 15 5.909 -3.256 -14.257 1.00 0.00 C ATOM 232 O HIS A 15 5.328 -2.267 -14.705 1.00 0.00 O ATOM 233 CB HIS A 15 4.195 -4.112 -12.657 1.00 0.00 C ATOM 234 CG HIS A 15 2.909 -4.878 -12.634 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.274 -5.244 -11.465 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.134 -5.344 -13.642 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.167 -5.903 -11.756 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.059 -5.976 -13.069 1.00 0.00 N ATOM 0 H HIS A 15 6.060 -5.736 -12.444 1.00 0.00 H new ATOM 0 HA HIS A 15 4.512 -4.809 -14.677 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.727 -4.285 -11.722 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.972 -3.046 -12.705 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.607 -5.038 -10.523 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.326 -5.238 -14.699 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.469 -6.312 -11.041 1.00 0.00 H new ATOM 247 N GLY A 16 7.236 -3.328 -14.177 1.00 0.00 N ATOM 248 CA GLY A 16 8.063 -2.223 -14.626 1.00 0.00 C ATOM 249 C GLY A 16 8.111 -1.023 -13.697 1.00 0.00 C ATOM 250 O GLY A 16 8.374 0.086 -14.162 1.00 0.00 O ATOM 0 H GLY A 16 7.750 -4.129 -13.811 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.079 -2.589 -14.772 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.700 -1.893 -15.599 1.00 0.00 H new ATOM 254 N LEU A 17 7.871 -1.198 -12.397 1.00 0.00 N ATOM 255 CA LEU A 17 7.920 -0.049 -11.498 1.00 0.00 C ATOM 256 C LEU A 17 9.325 0.151 -10.966 1.00 0.00 C ATOM 257 O LEU A 17 9.593 1.071 -10.196 1.00 0.00 O ATOM 258 CB LEU A 17 6.931 -0.198 -10.340 1.00 0.00 C ATOM 259 CG LEU A 17 5.566 -0.798 -10.692 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.486 -0.198 -9.809 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.213 -0.577 -12.158 1.00 0.00 C ATOM 0 H LEU A 17 7.649 -2.091 -11.956 1.00 0.00 H new ATOM 0 HA LEU A 17 7.631 0.831 -12.073 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.392 -0.821 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.770 0.785 -9.898 1.00 0.00 H new ATOM 0 HG LEU A 17 5.626 -1.872 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.521 -0.632 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.710 -0.411 -8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.451 0.881 -9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.238 -1.017 -12.368 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.181 0.492 -12.367 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.967 -1.048 -12.789 1.00 0.00 H new ATOM 273 N ASP A 18 10.217 -0.720 -11.394 1.00 0.00 N ATOM 274 CA ASP A 18 11.611 -0.657 -10.975 1.00 0.00 C ATOM 275 C ASP A 18 12.331 0.502 -11.658 1.00 0.00 C ATOM 276 O ASP A 18 12.876 0.363 -12.754 1.00 0.00 O ATOM 277 CB ASP A 18 12.316 -1.988 -11.259 1.00 0.00 C ATOM 278 CG ASP A 18 13.806 -1.829 -11.504 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.513 -1.370 -10.583 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.263 -2.164 -12.617 1.00 0.00 O ATOM 0 H ASP A 18 10.004 -1.485 -12.035 1.00 0.00 H new ATOM 0 HA ASP A 18 11.640 -0.479 -9.900 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.162 -2.662 -10.416 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.858 -2.457 -12.130 1.00 0.00 H new ATOM 285 N ASN A 19 12.318 1.649 -10.988 1.00 0.00 N ATOM 286 CA ASN A 19 12.958 2.862 -11.485 1.00 0.00 C ATOM 287 C ASN A 19 12.282 3.367 -12.742 1.00 0.00 C ATOM 288 O ASN A 19 12.927 3.925 -13.630 1.00 0.00 O ATOM 289 CB ASN A 19 14.449 2.628 -11.737 1.00 0.00 C ATOM 290 CG ASN A 19 15.309 3.762 -11.213 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.169 3.559 -10.355 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.079 4.965 -11.727 1.00 0.00 N ATOM 0 H ASN A 19 11.862 1.764 -10.083 1.00 0.00 H new ATOM 0 HA ASN A 19 12.853 3.627 -10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.753 1.695 -11.262 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.620 2.511 -12.807 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.625 5.767 -11.413 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.356 5.087 -12.436 1.00 0.00 H new ATOM 299 N TYR A 20 10.972 3.202 -12.793 1.00 0.00 N ATOM 300 CA TYR A 20 10.206 3.681 -13.926 1.00 0.00 C ATOM 301 C TYR A 20 10.273 5.193 -13.909 1.00 0.00 C ATOM 302 O TYR A 20 10.770 5.755 -12.934 1.00 0.00 O ATOM 303 CB TYR A 20 8.754 3.203 -13.834 1.00 0.00 C ATOM 304 CG TYR A 20 7.927 3.514 -15.063 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.155 2.853 -16.263 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.918 4.467 -15.019 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.399 3.135 -17.387 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.158 4.755 -16.138 1.00 0.00 C ATOM 309 CZ TYR A 20 6.403 4.086 -17.318 1.00 0.00 C ATOM 310 OH TYR A 20 5.650 4.370 -18.434 1.00 0.00 O ATOM 0 H TYR A 20 10.421 2.743 -12.068 1.00 0.00 H new ATOM 0 HA TYR A 20 10.616 3.292 -14.858 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.746 2.126 -13.666 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.284 3.665 -12.966 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.934 2.107 -16.320 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.723 4.992 -14.096 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.588 2.613 -18.313 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.377 5.500 -16.088 1.00 0.00 H new ATOM 0 HH TYR A 20 4.991 5.062 -18.217 1.00 0.00 H new ATOM 320 N ARG A 21 9.814 5.846 -14.977 1.00 0.00 N ATOM 321 CA ARG A 21 9.850 7.304 -15.057 1.00 0.00 C ATOM 322 C ARG A 21 9.861 7.909 -13.656 1.00 0.00 C ATOM 323 O ARG A 21 10.567 8.880 -13.384 1.00 0.00 O ATOM 324 CB ARG A 21 8.647 7.826 -15.845 1.00 0.00 C ATOM 325 CG ARG A 21 8.881 7.884 -17.345 1.00 0.00 C ATOM 326 CD ARG A 21 9.233 9.292 -17.799 1.00 0.00 C ATOM 327 NE ARG A 21 10.567 9.359 -18.389 1.00 0.00 N ATOM 328 CZ ARG A 21 11.203 10.497 -18.648 1.00 0.00 C ATOM 329 NH1 ARG A 21 10.629 11.660 -18.368 1.00 0.00 N ATOM 330 NH2 ARG A 21 12.415 10.474 -19.186 1.00 0.00 N ATOM 0 H ARG A 21 9.414 5.388 -15.796 1.00 0.00 H new ATOM 0 HA ARG A 21 10.762 7.600 -15.576 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.787 7.187 -15.644 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.394 8.824 -15.486 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.686 7.201 -17.616 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.987 7.545 -17.867 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.497 9.633 -18.527 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.178 9.972 -16.948 1.00 0.00 H new ATOM 0 HE ARG A 21 11.037 8.483 -18.615 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.698 11.682 -17.953 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.119 12.532 -18.568 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.860 9.582 -19.402 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.902 11.348 -19.384 1.00 0.00 H new ATOM 344 N GLY A 22 9.072 7.304 -12.773 1.00 0.00 N ATOM 345 CA GLY A 22 8.988 7.758 -11.402 1.00 0.00 C ATOM 346 C GLY A 22 10.155 7.280 -10.557 1.00 0.00 C ATOM 347 O GLY A 22 11.240 7.858 -10.610 1.00 0.00 O ATOM 0 H GLY A 22 8.484 6.499 -12.989 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.954 8.847 -11.385 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.056 7.403 -10.962 1.00 0.00 H new ATOM 351 N TYR A 23 9.926 6.245 -9.747 1.00 0.00 N ATOM 352 CA TYR A 23 10.979 5.742 -8.867 1.00 0.00 C ATOM 353 C TYR A 23 11.188 4.235 -8.954 1.00 0.00 C ATOM 354 O TYR A 23 10.530 3.536 -9.724 1.00 0.00 O ATOM 355 CB TYR A 23 10.683 6.138 -7.421 1.00 0.00 C ATOM 356 CG TYR A 23 11.032 7.575 -7.106 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.288 8.622 -7.638 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.105 7.885 -6.280 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.604 9.936 -7.356 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.426 9.198 -5.993 1.00 0.00 C ATOM 361 CZ TYR A 23 11.673 10.220 -6.534 1.00 0.00 C ATOM 362 OH TYR A 23 11.991 11.528 -6.250 1.00 0.00 O ATOM 0 H TYR A 23 9.038 5.747 -9.683 1.00 0.00 H new ATOM 0 HA TYR A 23 11.906 6.202 -9.209 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.624 5.977 -7.218 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.240 5.482 -6.752 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.449 8.404 -8.282 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.697 7.088 -5.856 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.016 10.738 -7.778 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.263 9.423 -5.348 1.00 0.00 H new ATOM 0 HH TYR A 23 12.770 11.554 -5.656 1.00 0.00 H new ATOM 372 N SER A 24 12.143 3.759 -8.150 1.00 0.00 N ATOM 373 CA SER A 24 12.505 2.351 -8.104 1.00 0.00 C ATOM 374 C SER A 24 11.518 1.536 -7.284 1.00 0.00 C ATOM 375 O SER A 24 10.746 2.078 -6.493 1.00 0.00 O ATOM 376 CB SER A 24 13.914 2.189 -7.526 1.00 0.00 C ATOM 377 OG SER A 24 13.938 2.502 -6.144 1.00 0.00 O ATOM 0 H SER A 24 12.684 4.345 -7.514 1.00 0.00 H new ATOM 0 HA SER A 24 12.480 1.974 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.256 1.165 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.607 2.838 -8.061 1.00 0.00 H new ATOM 0 HG SER A 24 13.258 3.181 -5.950 1.00 0.00 H new ATOM 383 N LEU A 25 11.558 0.226 -7.496 1.00 0.00 N ATOM 384 CA LEU A 25 10.679 -0.709 -6.801 1.00 0.00 C ATOM 385 C LEU A 25 10.563 -0.373 -5.316 1.00 0.00 C ATOM 386 O LEU A 25 9.458 -0.244 -4.793 1.00 0.00 O ATOM 387 CB LEU A 25 11.196 -2.142 -6.977 1.00 0.00 C ATOM 388 CG LEU A 25 10.936 -2.777 -8.345 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.027 -4.292 -8.253 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.579 -2.358 -8.890 1.00 0.00 C ATOM 0 H LEU A 25 12.199 -0.218 -8.153 1.00 0.00 H new ATOM 0 HA LEU A 25 9.685 -0.624 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.270 -2.146 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.739 -2.770 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 25 11.702 -2.423 -9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.840 -4.728 -9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.023 -4.577 -7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.284 -4.659 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.418 -2.823 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.796 -2.677 -8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.549 -1.274 -8.996 1.00 0.00 H new ATOM 402 N GLY A 26 11.704 -0.252 -4.641 1.00 0.00 N ATOM 403 CA GLY A 26 11.708 0.054 -3.217 1.00 0.00 C ATOM 404 C GLY A 26 10.722 1.141 -2.827 1.00 0.00 C ATOM 405 O GLY A 26 10.080 1.052 -1.780 1.00 0.00 O ATOM 0 H GLY A 26 12.630 -0.361 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.476 -0.853 -2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.711 0.362 -2.923 1.00 0.00 H new ATOM 409 N ASN A 27 10.598 2.168 -3.661 1.00 0.00 N ATOM 410 CA ASN A 27 9.679 3.270 -3.383 1.00 0.00 C ATOM 411 C ASN A 27 8.230 2.798 -3.466 1.00 0.00 C ATOM 412 O ASN A 27 7.369 3.263 -2.719 1.00 0.00 O ATOM 413 CB ASN A 27 9.913 4.421 -4.361 1.00 0.00 C ATOM 414 CG ASN A 27 11.330 4.956 -4.295 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.209 4.408 -5.128 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.632 5.850 -3.507 1.00 0.00 N flip ATOM 0 H ASN A 27 11.120 2.262 -4.533 1.00 0.00 H new ATOM 0 HA ASN A 27 9.871 3.625 -2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.703 4.081 -5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.213 5.227 -4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.925 6.242 -2.885 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.590 6.200 -3.475 1.00 0.00 H new ATOM 423 N TRP A 28 7.978 1.865 -4.375 1.00 0.00 N ATOM 424 CA TRP A 28 6.645 1.307 -4.567 1.00 0.00 C ATOM 425 C TRP A 28 6.258 0.395 -3.416 1.00 0.00 C ATOM 426 O TRP A 28 5.127 0.439 -2.931 1.00 0.00 O ATOM 427 CB TRP A 28 6.589 0.540 -5.876 1.00 0.00 C ATOM 428 CG TRP A 28 6.854 1.414 -7.050 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.048 1.596 -7.673 1.00 0.00 C ATOM 430 CD2 TRP A 28 5.909 2.239 -7.732 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.912 2.492 -8.699 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.603 2.899 -8.761 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.543 2.480 -7.569 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.977 3.789 -9.627 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.916 3.362 -8.427 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.632 4.010 -9.448 1.00 0.00 C ATOM 0 H TRP A 28 8.687 1.475 -4.997 1.00 0.00 H new ATOM 0 HA TRP A 28 5.934 2.133 -4.598 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.321 -0.268 -5.854 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.608 0.078 -5.983 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.970 1.105 -7.399 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.661 2.806 -9.316 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.987 1.986 -6.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.527 4.288 -10.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.860 3.557 -8.312 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.116 4.695 -10.105 1.00 0.00 H new ATOM 447 N VAL A 29 7.198 -0.435 -2.978 1.00 0.00 N ATOM 448 CA VAL A 29 6.949 -1.356 -1.883 1.00 0.00 C ATOM 449 C VAL A 29 6.762 -0.606 -0.577 1.00 0.00 C ATOM 450 O VAL A 29 5.805 -0.840 0.153 1.00 0.00 O ATOM 451 CB VAL A 29 8.111 -2.356 -1.734 1.00 0.00 C ATOM 452 CG1 VAL A 29 7.887 -3.281 -0.546 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.296 -3.149 -3.019 1.00 0.00 C ATOM 0 H VAL A 29 8.139 -0.487 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 29 6.034 -1.902 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 29 9.025 -1.794 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.722 -3.977 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.816 -2.690 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.962 -3.840 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.121 -3.851 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.381 -3.698 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.518 -2.466 -3.839 1.00 0.00 H new ATOM 463 N CYS A 30 7.687 0.293 -0.290 1.00 0.00 N ATOM 464 CA CYS A 30 7.635 1.083 0.928 1.00 0.00 C ATOM 465 C CYS A 30 6.342 1.894 1.002 1.00 0.00 C ATOM 466 O CYS A 30 5.664 1.911 2.032 1.00 0.00 O ATOM 467 CB CYS A 30 8.845 2.010 0.983 1.00 0.00 C ATOM 468 SG CYS A 30 9.112 2.799 2.599 1.00 0.00 S ATOM 0 H CYS A 30 8.488 0.495 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 30 7.654 0.408 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.736 1.441 0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.727 2.787 0.228 1.00 0.00 H new ATOM 473 N ALA A 31 6.006 2.568 -0.097 1.00 0.00 N ATOM 474 CA ALA A 31 4.801 3.386 -0.157 1.00 0.00 C ATOM 475 C ALA A 31 3.542 2.541 0.000 1.00 0.00 C ATOM 476 O ALA A 31 2.634 2.901 0.747 1.00 0.00 O ATOM 477 CB ALA A 31 4.754 4.158 -1.467 1.00 0.00 C ATOM 0 H ALA A 31 6.554 2.562 -0.958 1.00 0.00 H new ATOM 0 HA ALA A 31 4.836 4.091 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.849 4.765 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.628 4.805 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.751 3.458 -2.302 1.00 0.00 H new ATOM 483 N ALA A 32 3.492 1.419 -0.711 1.00 0.00 N ATOM 484 CA ALA A 32 2.338 0.528 -0.656 1.00 0.00 C ATOM 485 C ALA A 32 2.222 -0.160 0.700 1.00 0.00 C ATOM 486 O ALA A 32 1.143 -0.203 1.291 1.00 0.00 O ATOM 487 CB ALA A 32 2.422 -0.509 -1.766 1.00 0.00 C ATOM 0 H ALA A 32 4.237 1.105 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 32 1.443 1.134 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.555 -1.168 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.439 -0.006 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.332 -1.097 -1.647 1.00 0.00 H new ATOM 493 N LYS A 33 3.334 -0.706 1.181 1.00 0.00 N ATOM 494 CA LYS A 33 3.365 -1.406 2.460 1.00 0.00 C ATOM 495 C LYS A 33 2.688 -0.599 3.557 1.00 0.00 C ATOM 496 O LYS A 33 1.776 -1.082 4.220 1.00 0.00 O ATOM 497 CB LYS A 33 4.809 -1.706 2.864 1.00 0.00 C ATOM 498 CG LYS A 33 4.930 -2.490 4.161 1.00 0.00 C ATOM 499 CD LYS A 33 6.379 -2.822 4.479 1.00 0.00 C ATOM 500 CE LYS A 33 6.491 -3.707 5.709 1.00 0.00 C ATOM 501 NZ LYS A 33 7.642 -4.647 5.615 1.00 0.00 N ATOM 0 H LYS A 33 4.233 -0.676 0.699 1.00 0.00 H new ATOM 0 HA LYS A 33 2.817 -2.340 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.292 -2.267 2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.351 -0.766 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.501 -1.911 4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.353 -3.412 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.834 -3.325 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.937 -1.900 4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.603 -3.083 6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.569 -4.274 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.568 -5.363 6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.632 -5.116 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.531 -4.119 5.727 1.00 0.00 H new ATOM 515 N PHE A 34 3.150 0.624 3.762 1.00 0.00 N ATOM 516 CA PHE A 34 2.584 1.469 4.801 1.00 0.00 C ATOM 517 C PHE A 34 1.233 2.037 4.400 1.00 0.00 C ATOM 518 O PHE A 34 0.452 2.457 5.254 1.00 0.00 O ATOM 519 CB PHE A 34 3.544 2.584 5.164 1.00 0.00 C ATOM 520 CG PHE A 34 4.479 2.237 6.287 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.031 2.222 7.598 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.803 1.924 6.031 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.889 1.902 8.633 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.666 1.604 7.061 1.00 0.00 C ATOM 525 CZ PHE A 34 6.208 1.592 8.364 1.00 0.00 C ATOM 0 H PHE A 34 3.908 1.051 3.229 1.00 0.00 H new ATOM 0 HA PHE A 34 2.425 0.842 5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.130 2.847 4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.971 3.469 5.441 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.000 2.463 7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.166 1.930 5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.529 1.894 9.651 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.697 1.364 6.848 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.880 1.341 9.171 1.00 0.00 H new ATOM 535 N GLU A 35 0.962 2.055 3.106 1.00 0.00 N ATOM 536 CA GLU A 35 -0.294 2.580 2.596 1.00 0.00 C ATOM 537 C GLU A 35 -1.480 1.710 2.994 1.00 0.00 C ATOM 538 O GLU A 35 -2.466 2.197 3.547 1.00 0.00 O ATOM 539 CB GLU A 35 -0.225 2.655 1.073 1.00 0.00 C ATOM 540 CG GLU A 35 -0.230 4.069 0.524 1.00 0.00 C ATOM 541 CD GLU A 35 0.300 4.134 -0.892 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.447 3.768 -1.821 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.466 4.545 -1.072 1.00 0.00 O ATOM 0 H GLU A 35 1.598 1.711 2.386 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.441 3.570 3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.679 2.148 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.071 2.111 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.246 4.463 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.375 4.709 1.166 1.00 0.00 H new ATOM 550 N SER A 36 -1.398 0.432 2.651 1.00 0.00 N ATOM 551 CA SER A 36 -2.490 -0.502 2.910 1.00 0.00 C ATOM 552 C SER A 36 -2.012 -1.786 3.580 1.00 0.00 C ATOM 553 O SER A 36 -2.775 -2.744 3.698 1.00 0.00 O ATOM 554 CB SER A 36 -3.168 -0.852 1.583 1.00 0.00 C ATOM 555 OG SER A 36 -2.206 -1.185 0.599 1.00 0.00 O ATOM 0 H SER A 36 -0.587 0.016 2.192 1.00 0.00 H new ATOM 0 HA SER A 36 -3.187 -0.016 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.851 -1.689 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.767 -0.008 1.242 1.00 0.00 H new ATOM 0 HG SER A 36 -1.986 -0.388 0.073 1.00 0.00 H new ATOM 561 N ASN A 37 -0.752 -1.818 3.991 1.00 0.00 N ATOM 562 CA ASN A 37 -0.197 -3.015 4.613 1.00 0.00 C ATOM 563 C ASN A 37 -0.280 -4.169 3.623 1.00 0.00 C ATOM 564 O ASN A 37 -0.353 -5.332 4.008 1.00 0.00 O ATOM 565 CB ASN A 37 -0.950 -3.359 5.901 1.00 0.00 C ATOM 566 CG ASN A 37 -0.088 -4.122 6.887 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.071 -5.353 6.893 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.634 -3.392 7.730 1.00 0.00 N ATOM 0 H ASN A 37 -0.100 -1.038 3.907 1.00 0.00 H new ATOM 0 HA ASN A 37 0.845 -2.833 4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.305 -2.440 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.831 -3.953 5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.233 -3.850 8.417 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.590 -2.374 7.690 1.00 0.00 H new ATOM 575 N PHE A 38 -0.262 -3.804 2.342 1.00 0.00 N ATOM 576 CA PHE A 38 -0.329 -4.734 1.225 1.00 0.00 C ATOM 577 C PHE A 38 -1.714 -5.347 1.096 1.00 0.00 C ATOM 578 O PHE A 38 -1.886 -6.382 0.461 1.00 0.00 O ATOM 579 CB PHE A 38 0.755 -5.810 1.335 1.00 0.00 C ATOM 580 CG PHE A 38 2.138 -5.265 1.114 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.407 -4.457 0.020 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.164 -5.548 2.001 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.672 -3.945 -0.188 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.431 -5.037 1.799 1.00 0.00 C ATOM 585 CZ PHE A 38 4.686 -4.235 0.702 1.00 0.00 C ATOM 0 H PHE A 38 -0.199 -2.829 2.049 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.139 -4.169 0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.704 -6.272 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.557 -6.595 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.617 -4.225 -0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.971 -6.175 2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.868 -3.319 -1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.223 -5.264 2.498 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.677 -3.836 0.542 1.00 0.00 H new ATOM 595 N ASN A 39 -2.712 -4.681 1.669 1.00 0.00 N ATOM 596 CA ASN A 39 -4.083 -5.159 1.578 1.00 0.00 C ATOM 597 C ASN A 39 -4.680 -4.741 0.244 1.00 0.00 C ATOM 598 O ASN A 39 -4.905 -3.558 -0.009 1.00 0.00 O ATOM 599 CB ASN A 39 -4.922 -4.625 2.739 1.00 0.00 C ATOM 600 CG ASN A 39 -6.299 -5.260 2.806 1.00 0.00 C ATOM 601 OD1 ASN A 39 -7.249 -4.657 3.306 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.414 -6.485 2.305 1.00 0.00 N ATOM 0 H ASN A 39 -2.597 -3.816 2.197 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.084 -6.247 1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.396 -4.807 3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.029 -3.545 2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.315 -6.962 2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.601 -6.949 1.900 1.00 0.00 H new ATOM 609 N THR A 40 -4.900 -5.722 -0.617 1.00 0.00 N ATOM 610 CA THR A 40 -5.431 -5.475 -1.946 1.00 0.00 C ATOM 611 C THR A 40 -6.867 -5.005 -1.852 1.00 0.00 C ATOM 612 O THR A 40 -7.419 -4.426 -2.789 1.00 0.00 O ATOM 613 CB THR A 40 -5.365 -6.751 -2.807 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.591 -7.484 -2.696 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.212 -7.639 -2.367 1.00 0.00 C ATOM 0 H THR A 40 -4.717 -6.705 -0.415 1.00 0.00 H new ATOM 0 HA THR A 40 -4.824 -4.702 -2.416 1.00 0.00 H new ATOM 0 HB THR A 40 -5.208 -6.452 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.540 -8.292 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.184 -8.534 -2.988 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.273 -7.095 -2.472 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.351 -7.925 -1.324 1.00 0.00 H new ATOM 623 N GLN A 41 -7.462 -5.283 -0.708 1.00 0.00 N ATOM 624 CA GLN A 41 -8.841 -4.929 -0.442 1.00 0.00 C ATOM 625 C GLN A 41 -8.947 -3.756 0.533 1.00 0.00 C ATOM 626 O GLN A 41 -10.042 -3.396 0.965 1.00 0.00 O ATOM 627 CB GLN A 41 -9.550 -6.151 0.127 1.00 0.00 C ATOM 628 CG GLN A 41 -10.229 -7.013 -0.925 1.00 0.00 C ATOM 629 CD GLN A 41 -11.667 -6.605 -1.173 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.972 -5.423 -1.330 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.562 -7.586 -1.211 1.00 0.00 N ATOM 0 H GLN A 41 -7.000 -5.762 0.065 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.311 -4.614 -1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.826 -6.759 0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.296 -5.822 0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.670 -6.948 -1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.200 -8.056 -0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.265 -8.552 -1.076 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.546 -7.373 -1.375 1.00 0.00 H new ATOM 640 N ALA A 42 -7.805 -3.176 0.890 1.00 0.00 N ATOM 641 CA ALA A 42 -7.770 -2.060 1.831 1.00 0.00 C ATOM 642 C ALA A 42 -8.431 -0.803 1.280 1.00 0.00 C ATOM 643 O ALA A 42 -8.112 -0.341 0.181 1.00 0.00 O ATOM 644 CB ALA A 42 -6.338 -1.749 2.229 1.00 0.00 C ATOM 0 H ALA A 42 -6.890 -3.461 0.541 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.340 -2.372 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.328 -0.915 2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.893 -2.625 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.763 -1.483 1.342 1.00 0.00 H new ATOM 650 N THR A 43 -9.335 -0.244 2.076 1.00 0.00 N ATOM 651 CA THR A 43 -10.042 0.978 1.723 1.00 0.00 C ATOM 652 C THR A 43 -9.811 2.031 2.804 1.00 0.00 C ATOM 653 O THR A 43 -9.900 1.728 3.994 1.00 0.00 O ATOM 654 CB THR A 43 -11.556 0.732 1.577 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.200 0.863 2.850 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.831 -0.652 1.006 1.00 0.00 C ATOM 0 H THR A 43 -9.598 -0.627 2.984 1.00 0.00 H new ATOM 0 HA THR A 43 -9.655 1.325 0.765 1.00 0.00 H new ATOM 0 HB THR A 43 -11.955 1.477 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.162 0.707 2.748 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.907 -0.800 0.913 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.367 -0.739 0.024 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.417 -1.409 1.672 1.00 0.00 H new ATOM 664 N ASN A 44 -9.503 3.261 2.402 1.00 0.00 N ATOM 665 CA ASN A 44 -9.254 4.328 3.368 1.00 0.00 C ATOM 666 C ASN A 44 -10.122 5.549 3.080 1.00 0.00 C ATOM 667 O ASN A 44 -9.835 6.325 2.168 1.00 0.00 O ATOM 668 CB ASN A 44 -7.776 4.725 3.349 1.00 0.00 C ATOM 669 CG ASN A 44 -7.034 4.244 4.581 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.107 4.860 5.645 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.313 3.138 4.443 1.00 0.00 N ATOM 0 H ASN A 44 -9.420 3.542 1.425 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.513 3.950 4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.303 4.312 2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.694 5.810 3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.791 2.767 5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.281 2.659 3.543 1.00 0.00 H new ATOM 678 N ARG A 45 -11.181 5.712 3.866 1.00 0.00 N ATOM 679 CA ARG A 45 -12.092 6.839 3.698 1.00 0.00 C ATOM 680 C ARG A 45 -11.570 8.077 4.420 1.00 0.00 C ATOM 681 O ARG A 45 -11.186 8.012 5.589 1.00 0.00 O ATOM 682 CB ARG A 45 -13.483 6.477 4.223 1.00 0.00 C ATOM 683 CG ARG A 45 -14.591 7.356 3.666 1.00 0.00 C ATOM 684 CD ARG A 45 -15.890 6.583 3.506 1.00 0.00 C ATOM 685 NE ARG A 45 -16.328 6.532 2.115 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.162 7.414 1.571 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.646 8.411 2.301 1.00 0.00 N ATOM 688 NH2 ARG A 45 -17.513 7.299 0.298 1.00 0.00 N ATOM 0 H ARG A 45 -11.430 5.078 4.626 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.158 7.065 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.696 5.437 3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.483 6.552 5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.751 8.205 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.286 7.760 2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.757 5.568 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.666 7.048 4.114 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.975 5.777 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.379 8.502 3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.285 9.086 1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.144 6.533 -0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.153 7.976 -0.118 1.00 0.00 H new ATOM 702 N ASN A 46 -11.560 9.204 3.716 1.00 0.00 N ATOM 703 CA ASN A 46 -11.086 10.460 4.287 1.00 0.00 C ATOM 704 C ASN A 46 -12.234 11.447 4.459 1.00 0.00 C ATOM 705 O ASN A 46 -13.367 11.176 4.058 1.00 0.00 O ATOM 706 CB ASN A 46 -10.003 11.074 3.399 1.00 0.00 C ATOM 707 CG ASN A 46 -9.102 10.027 2.774 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.407 9.485 1.711 1.00 0.00 O ATOM 709 ND2 ASN A 46 -7.987 9.736 3.433 1.00 0.00 N ATOM 0 H ASN A 46 -11.875 9.274 2.748 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.663 10.245 5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.474 11.661 2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.399 11.762 3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.342 9.038 3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.775 10.210 4.311 1.00 0.00 H new ATOM 716 N THR A 47 -11.932 12.593 5.059 1.00 0.00 N ATOM 717 CA THR A 47 -12.935 13.626 5.287 1.00 0.00 C ATOM 718 C THR A 47 -13.178 14.445 4.026 1.00 0.00 C ATOM 719 O THR A 47 -14.173 15.164 3.922 1.00 0.00 O ATOM 720 CB THR A 47 -12.516 14.572 6.427 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.235 15.147 6.142 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.459 13.831 7.754 1.00 0.00 C ATOM 0 H THR A 47 -10.999 12.830 5.397 1.00 0.00 H new ATOM 0 HA THR A 47 -13.856 13.116 5.568 1.00 0.00 H new ATOM 0 HB THR A 47 -13.261 15.364 6.503 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.977 15.749 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.161 14.521 8.543 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.442 13.420 7.984 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.733 13.020 7.687 1.00 0.00 H new ATOM 730 N ASP A 48 -12.263 14.334 3.067 1.00 0.00 N ATOM 731 CA ASP A 48 -12.378 15.066 1.810 1.00 0.00 C ATOM 732 C ASP A 48 -13.480 14.476 0.934 1.00 0.00 C ATOM 733 O ASP A 48 -13.904 15.092 -0.043 1.00 0.00 O ATOM 734 CB ASP A 48 -11.047 15.047 1.060 1.00 0.00 C ATOM 735 CG ASP A 48 -10.446 13.658 0.974 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.215 12.675 0.999 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.205 13.552 0.883 1.00 0.00 O ATOM 0 H ASP A 48 -11.434 13.744 3.137 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.639 16.098 2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.196 15.437 0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.343 15.713 1.559 1.00 0.00 H new ATOM 742 N GLY A 49 -13.938 13.281 1.294 1.00 0.00 N ATOM 743 CA GLY A 49 -14.988 12.629 0.532 1.00 0.00 C ATOM 744 C GLY A 49 -14.472 11.473 -0.302 1.00 0.00 C ATOM 745 O GLY A 49 -15.207 10.526 -0.583 1.00 0.00 O ATOM 0 H GLY A 49 -13.601 12.753 2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.755 12.265 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.464 13.360 -0.122 1.00 0.00 H new ATOM 749 N SER A 50 -13.204 11.547 -0.697 1.00 0.00 N ATOM 750 CA SER A 50 -12.595 10.496 -1.504 1.00 0.00 C ATOM 751 C SER A 50 -12.154 9.326 -0.631 1.00 0.00 C ATOM 752 O SER A 50 -12.205 9.398 0.597 1.00 0.00 O ATOM 753 CB SER A 50 -11.403 11.042 -2.292 1.00 0.00 C ATOM 754 OG SER A 50 -10.779 12.110 -1.601 1.00 0.00 O ATOM 0 H SER A 50 -12.580 12.322 -0.472 1.00 0.00 H new ATOM 0 HA SER A 50 -13.346 10.138 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.680 10.244 -2.463 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.737 11.385 -3.271 1.00 0.00 H new ATOM 0 HG SER A 50 -10.588 11.836 -0.680 1.00 0.00 H new ATOM 760 N THR A 51 -11.727 8.248 -1.278 1.00 0.00 N ATOM 761 CA THR A 51 -11.284 7.055 -0.568 1.00 0.00 C ATOM 762 C THR A 51 -10.077 6.418 -1.251 1.00 0.00 C ATOM 763 O THR A 51 -9.755 6.742 -2.393 1.00 0.00 O ATOM 764 CB THR A 51 -12.415 6.015 -0.477 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.680 6.677 -0.359 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.212 5.089 0.711 1.00 0.00 C ATOM 0 H THR A 51 -11.678 8.176 -2.294 1.00 0.00 H new ATOM 0 HA THR A 51 -11.000 7.370 0.436 1.00 0.00 H new ATOM 0 HB THR A 51 -12.398 5.417 -1.388 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.402 6.033 -0.516 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.026 4.365 0.751 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.263 4.563 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.202 5.674 1.631 1.00 0.00 H new ATOM 774 N ASP A 52 -9.418 5.506 -0.542 1.00 0.00 N ATOM 775 CA ASP A 52 -8.249 4.812 -1.073 1.00 0.00 C ATOM 776 C ASP A 52 -8.530 3.325 -1.197 1.00 0.00 C ATOM 777 O ASP A 52 -8.234 2.546 -0.290 1.00 0.00 O ATOM 778 CB ASP A 52 -7.037 5.046 -0.169 1.00 0.00 C ATOM 779 CG ASP A 52 -6.687 6.515 -0.040 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.617 7.202 -1.081 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.482 6.978 1.102 1.00 0.00 O ATOM 0 H ASP A 52 -9.675 5.230 0.406 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.029 5.210 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.240 4.636 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.179 4.505 -0.568 1.00 0.00 H new ATOM 786 N TYR A 53 -9.109 2.938 -2.325 1.00 0.00 N ATOM 787 CA TYR A 53 -9.440 1.544 -2.567 1.00 0.00 C ATOM 788 C TYR A 53 -8.339 0.835 -3.345 1.00 0.00 C ATOM 789 O TYR A 53 -8.449 0.653 -4.555 1.00 0.00 O ATOM 790 CB TYR A 53 -10.750 1.422 -3.351 1.00 0.00 C ATOM 791 CG TYR A 53 -11.939 2.103 -2.711 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.467 1.645 -1.512 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.547 3.193 -3.321 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.564 2.255 -0.935 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.644 3.810 -2.750 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.149 3.337 -1.558 1.00 0.00 C ATOM 797 OH TYR A 53 -15.242 3.946 -0.987 1.00 0.00 O ATOM 0 H TYR A 53 -9.358 3.570 -3.085 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.549 1.072 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.602 1.841 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.982 0.365 -3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.012 0.797 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.156 3.564 -4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.961 1.886 -0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.103 4.658 -3.235 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.532 4.693 -1.551 1.00 0.00 H new ATOM 807 N GLY A 54 -7.261 0.450 -2.678 1.00 0.00 N ATOM 808 CA GLY A 54 -6.192 -0.230 -3.386 1.00 0.00 C ATOM 809 C GLY A 54 -4.930 -0.369 -2.566 1.00 0.00 C ATOM 810 O GLY A 54 -4.731 0.356 -1.591 1.00 0.00 O ATOM 0 H GLY A 54 -7.106 0.591 -1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.535 -1.221 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.965 0.317 -4.301 1.00 0.00 H new ATOM 814 N ILE A 55 -4.054 -1.283 -2.982 1.00 0.00 N ATOM 815 CA ILE A 55 -2.787 -1.479 -2.295 1.00 0.00 C ATOM 816 C ILE A 55 -1.956 -0.218 -2.461 1.00 0.00 C ATOM 817 O ILE A 55 -1.100 0.104 -1.635 1.00 0.00 O ATOM 818 CB ILE A 55 -2.001 -2.683 -2.858 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.781 -2.975 -1.982 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.576 -2.406 -4.293 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.023 -4.172 -2.440 1.00 0.00 C ATOM 0 H ILE A 55 -4.201 -1.893 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.992 -1.684 -1.244 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.647 -3.561 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.135 -2.097 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.112 -3.141 -0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.022 -3.261 -4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.460 -2.237 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.941 -1.521 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.872 -4.318 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.607 -5.061 -2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.385 -4.001 -3.454 1.00 0.00 H new ATOM 833 N LEU A 56 -2.255 0.507 -3.537 1.00 0.00 N ATOM 834 CA LEU A 56 -1.589 1.762 -3.839 1.00 0.00 C ATOM 835 C LEU A 56 -2.574 2.909 -3.639 1.00 0.00 C ATOM 836 O LEU A 56 -2.282 4.059 -3.966 1.00 0.00 O ATOM 837 CB LEU A 56 -1.050 1.770 -5.279 1.00 0.00 C ATOM 838 CG LEU A 56 0.464 2.000 -5.421 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.929 3.125 -4.507 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.224 0.718 -5.114 1.00 0.00 C ATOM 0 H LEU A 56 -2.964 0.238 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.740 1.882 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.300 0.818 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.571 2.547 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 56 0.671 2.291 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.003 3.269 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.408 4.046 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.709 2.867 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.294 0.896 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.007 0.402 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.916 -0.063 -5.809 1.00 0.00 H new ATOM 852 N GLN A 57 -3.748 2.574 -3.085 1.00 0.00 N ATOM 853 CA GLN A 57 -4.802 3.550 -2.811 1.00 0.00 C ATOM 854 C GLN A 57 -5.478 4.039 -4.088 1.00 0.00 C ATOM 855 O GLN A 57 -5.234 5.164 -4.527 1.00 0.00 O ATOM 856 CB GLN A 57 -4.238 4.741 -2.032 1.00 0.00 C ATOM 857 CG GLN A 57 -3.600 4.356 -0.707 1.00 0.00 C ATOM 858 CD GLN A 57 -3.437 5.538 0.228 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.928 6.589 -0.164 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.868 5.373 1.473 1.00 0.00 N ATOM 0 H GLN A 57 -3.989 1.620 -2.816 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.557 3.046 -2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.496 5.249 -2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.040 5.455 -1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.211 3.595 -0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.624 3.909 -0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.283 4.485 1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.784 6.134 2.147 1.00 0.00 H new ATOM 869 N ILE A 58 -6.330 3.203 -4.696 1.00 0.00 N ATOM 870 CA ILE A 58 -7.006 3.598 -5.913 1.00 0.00 C ATOM 871 C ILE A 58 -8.232 4.425 -5.583 1.00 0.00 C ATOM 872 O ILE A 58 -9.301 3.885 -5.301 1.00 0.00 O ATOM 873 CB ILE A 58 -7.420 2.377 -6.757 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.297 1.336 -6.779 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.782 2.807 -8.170 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.950 1.896 -7.184 1.00 0.00 C ATOM 0 H ILE A 58 -6.557 2.266 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.306 4.194 -6.499 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.299 1.922 -6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.211 0.888 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.569 0.537 -7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.072 1.933 -8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.613 3.512 -8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.921 3.285 -8.637 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.207 1.098 -7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.018 2.318 -8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.654 2.675 -6.482 1.00 0.00 H new ATOM 888 N ASN A 59 -8.075 5.740 -5.627 1.00 0.00 N ATOM 889 CA ASN A 59 -9.175 6.637 -5.340 1.00 0.00 C ATOM 890 C ASN A 59 -10.226 6.515 -6.428 1.00 0.00 C ATOM 891 O ASN A 59 -10.108 7.130 -7.488 1.00 0.00 O ATOM 892 CB ASN A 59 -8.672 8.077 -5.246 1.00 0.00 C ATOM 893 CG ASN A 59 -9.763 9.053 -4.847 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.909 8.664 -4.619 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.409 10.330 -4.757 1.00 0.00 N ATOM 0 H ASN A 59 -7.197 6.205 -5.859 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.619 6.365 -4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.861 8.128 -4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.257 8.376 -6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.098 11.033 -4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.448 10.608 -4.955 1.00 0.00 H new ATOM 902 N SER A 60 -11.250 5.718 -6.167 1.00 0.00 N ATOM 903 CA SER A 60 -12.323 5.515 -7.136 1.00 0.00 C ATOM 904 C SER A 60 -13.086 6.810 -7.407 1.00 0.00 C ATOM 905 O SER A 60 -13.855 6.892 -8.365 1.00 0.00 O ATOM 906 CB SER A 60 -13.287 4.438 -6.637 1.00 0.00 C ATOM 907 OG SER A 60 -14.217 4.974 -5.711 1.00 0.00 O ATOM 0 H SER A 60 -11.364 5.201 -5.295 1.00 0.00 H new ATOM 0 HA SER A 60 -11.868 5.190 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.820 4.003 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.724 3.632 -6.166 1.00 0.00 H new ATOM 0 HG SER A 60 -14.110 4.529 -4.845 1.00 0.00 H new ATOM 913 N ARG A 61 -12.878 7.820 -6.567 1.00 0.00 N ATOM 914 CA ARG A 61 -13.557 9.100 -6.737 1.00 0.00 C ATOM 915 C ARG A 61 -12.631 10.119 -7.394 1.00 0.00 C ATOM 916 O ARG A 61 -12.822 11.327 -7.258 1.00 0.00 O ATOM 917 CB ARG A 61 -14.041 9.629 -5.387 1.00 0.00 C ATOM 918 CG ARG A 61 -15.289 10.492 -5.482 1.00 0.00 C ATOM 919 CD ARG A 61 -15.509 11.295 -4.210 1.00 0.00 C ATOM 920 NE ARG A 61 -16.589 12.268 -4.357 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.453 13.564 -4.098 1.00 0.00 C ATOM 922 NH1 ARG A 61 -15.288 14.043 -3.681 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.482 14.385 -4.257 1.00 0.00 N ATOM 0 H ARG A 61 -12.248 7.777 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.419 8.944 -7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.243 8.785 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.242 10.210 -4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.200 11.170 -6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.157 9.859 -5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.741 10.617 -3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.588 11.813 -3.945 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.498 11.934 -4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.493 13.416 -3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.187 15.039 -3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.379 14.022 -4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.376 15.380 -4.058 1.00 0.00 H new ATOM 937 N TRP A 62 -11.626 9.617 -8.105 1.00 0.00 N ATOM 938 CA TRP A 62 -10.666 10.489 -8.780 1.00 0.00 C ATOM 939 C TRP A 62 -9.895 9.776 -9.896 1.00 0.00 C ATOM 940 O TRP A 62 -9.220 10.429 -10.691 1.00 0.00 O ATOM 941 CB TRP A 62 -9.679 11.065 -7.764 1.00 0.00 C ATOM 942 CG TRP A 62 -9.394 12.522 -7.970 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.307 13.536 -8.029 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.109 13.128 -8.143 1.00 0.00 C ATOM 945 NE1 TRP A 62 -9.667 14.735 -8.229 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.318 14.512 -8.302 1.00 0.00 C ATOM 947 CE3 TRP A 62 -6.800 12.637 -8.178 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -7.267 15.406 -8.493 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -5.759 13.526 -8.368 1.00 0.00 C ATOM 950 CH2 TRP A 62 -5.998 14.897 -8.524 1.00 0.00 C ATOM 0 H TRP A 62 -11.454 8.619 -8.229 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.241 11.290 -9.245 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.076 10.919 -6.760 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.744 10.508 -7.821 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.376 13.413 -7.933 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.123 15.644 -8.310 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -6.606 11.581 -8.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -7.448 16.464 -8.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.744 13.157 -8.397 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.163 15.566 -8.672 1.00 0.00 H new ATOM 961 N TRP A 63 -9.975 8.447 -9.953 1.00 0.00 N ATOM 962 CA TRP A 63 -9.254 7.697 -10.974 1.00 0.00 C ATOM 963 C TRP A 63 -10.146 6.678 -11.673 1.00 0.00 C ATOM 964 O TRP A 63 -10.475 6.828 -12.848 1.00 0.00 O ATOM 965 CB TRP A 63 -8.052 6.980 -10.351 1.00 0.00 C ATOM 966 CG TRP A 63 -6.986 7.918 -9.877 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.401 7.960 -8.644 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.388 8.959 -10.641 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.463 8.968 -8.605 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.442 9.598 -9.824 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.568 9.407 -11.943 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.674 10.669 -10.277 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.818 10.465 -12.395 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.878 11.092 -11.566 1.00 0.00 C ATOM 0 H TRP A 63 -10.525 7.876 -9.312 1.00 0.00 H new ATOM 0 HA TRP A 63 -8.914 8.414 -11.721 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.394 6.375 -9.511 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.625 6.296 -11.084 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.638 7.301 -7.822 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.880 9.207 -7.803 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.288 8.930 -12.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.946 11.147 -9.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.955 10.820 -13.406 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.304 11.923 -11.949 1.00 0.00 H new ATOM 985 N CYS A 64 -10.497 5.626 -10.951 1.00 0.00 N ATOM 986 CA CYS A 64 -11.317 4.563 -11.517 1.00 0.00 C ATOM 987 C CYS A 64 -12.799 4.784 -11.278 1.00 0.00 C ATOM 988 O CYS A 64 -13.202 5.469 -10.339 1.00 0.00 O ATOM 989 CB CYS A 64 -10.897 3.203 -10.953 1.00 0.00 C ATOM 990 SG CYS A 64 -11.667 2.778 -9.352 1.00 0.00 S ATOM 0 H CYS A 64 -10.230 5.484 -9.977 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.153 4.578 -12.594 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.147 2.430 -11.679 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.813 3.191 -10.835 1.00 0.00 H new ATOM 995 N ASN A 65 -13.604 4.184 -12.147 1.00 0.00 N ATOM 996 CA ASN A 65 -15.055 4.290 -12.055 1.00 0.00 C ATOM 997 C ASN A 65 -15.632 3.104 -11.288 1.00 0.00 C ATOM 998 O ASN A 65 -15.702 1.991 -11.809 1.00 0.00 O ATOM 999 CB ASN A 65 -15.674 4.361 -13.452 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.162 4.651 -13.412 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.590 5.693 -12.916 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.958 3.727 -13.937 1.00 0.00 N ATOM 0 H ASN A 65 -13.274 3.616 -12.927 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.297 5.206 -11.515 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.171 5.136 -14.030 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.505 3.417 -13.970 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.968 3.866 -13.940 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.559 2.878 -14.338 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.039 3.351 -10.048 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.603 2.303 -9.206 1.00 0.00 C ATOM 1011 C ASP A 66 -18.128 2.341 -9.227 1.00 0.00 C ATOM 1012 O ASP A 66 -18.787 1.355 -8.896 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.093 2.443 -7.771 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.663 3.660 -7.069 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.873 4.691 -7.742 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -16.900 3.582 -5.845 1.00 0.00 O ATOM 0 H ASP A 66 -15.989 4.268 -9.604 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.281 1.341 -9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.353 1.547 -7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.005 2.509 -7.780 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.684 3.482 -9.623 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.127 3.623 -9.686 1.00 0.00 C ATOM 1023 C GLY A 67 -20.766 3.781 -8.318 1.00 0.00 C ATOM 1024 O GLY A 67 -21.925 4.184 -8.213 1.00 0.00 O ATOM 0 H GLY A 67 -18.160 4.312 -9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.376 4.489 -10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.551 2.749 -10.181 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.015 3.462 -7.269 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.521 3.571 -5.906 1.00 0.00 C ATOM 1030 C ARG A 68 -20.371 4.994 -5.379 1.00 0.00 C ATOM 1031 O ARG A 68 -20.809 5.307 -4.273 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.786 2.594 -4.986 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.123 1.137 -5.253 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.458 0.398 -3.967 1.00 0.00 C ATOM 1035 NE ARG A 68 -20.507 -1.049 -4.164 1.00 0.00 N ATOM 1036 CZ ARG A 68 -21.477 -1.825 -3.690 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.475 -1.296 -2.995 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -21.450 -3.132 -3.912 1.00 0.00 N ATOM 0 H ARG A 68 -19.054 3.126 -7.337 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.581 3.319 -5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.712 2.737 -5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.029 2.831 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.968 1.078 -5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.280 0.651 -5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.713 0.635 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.420 0.745 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 68 -19.755 -1.488 -4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -22.500 -0.291 -2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -23.218 -1.894 -2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -20.685 -3.543 -4.447 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -22.195 -3.727 -3.548 1.00 0.00 H new ATOM 1052 N THR A 69 -19.752 5.853 -6.182 1.00 0.00 N ATOM 1053 CA THR A 69 -19.544 7.244 -5.799 1.00 0.00 C ATOM 1054 C THR A 69 -19.811 8.184 -6.973 1.00 0.00 C ATOM 1055 O THR A 69 -19.130 8.117 -7.997 1.00 0.00 O ATOM 1056 CB THR A 69 -18.110 7.478 -5.286 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.607 6.284 -4.675 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.075 8.621 -4.281 1.00 0.00 C ATOM 0 H THR A 69 -19.386 5.610 -7.102 1.00 0.00 H new ATOM 0 HA THR A 69 -20.249 7.459 -4.996 1.00 0.00 H new ATOM 0 HB THR A 69 -17.482 7.743 -6.137 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.386 5.629 -5.370 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.053 8.768 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.431 9.535 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.716 8.380 -3.433 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.810 9.076 -6.841 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.160 10.029 -7.899 1.00 0.00 C ATOM 1068 C PRO A 70 -20.093 11.102 -8.088 1.00 0.00 C ATOM 1069 O PRO A 70 -19.527 11.604 -7.118 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.464 10.654 -7.399 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.409 10.510 -5.918 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.674 9.225 -5.654 1.00 0.00 C ATOM 0 HA PRO A 70 -21.251 9.543 -8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.539 11.701 -7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.333 10.143 -7.814 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.893 11.355 -5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.412 10.481 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.090 9.278 -4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.360 8.384 -5.548 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.825 11.445 -9.344 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.826 12.457 -9.639 1.00 0.00 C ATOM 1082 C GLY A 71 -17.492 11.856 -10.037 1.00 0.00 C ATOM 1083 O GLY A 71 -16.476 12.551 -10.067 1.00 0.00 O ATOM 0 H GLY A 71 -20.281 11.041 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.188 13.096 -10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.688 13.093 -8.765 1.00 0.00 H new ATOM 1087 N SER A 72 -17.496 10.563 -10.342 1.00 0.00 N ATOM 1088 CA SER A 72 -16.277 9.866 -10.741 1.00 0.00 C ATOM 1089 C SER A 72 -15.692 10.476 -12.010 1.00 0.00 C ATOM 1090 O SER A 72 -16.362 10.554 -13.039 1.00 0.00 O ATOM 1091 CB SER A 72 -16.564 8.379 -10.961 1.00 0.00 C ATOM 1092 OG SER A 72 -15.434 7.717 -11.500 1.00 0.00 O ATOM 0 H SER A 72 -18.330 9.976 -10.321 1.00 0.00 H new ATOM 0 HA SER A 72 -15.547 9.974 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.844 7.916 -10.015 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.413 8.265 -11.636 1.00 0.00 H new ATOM 0 HG SER A 72 -15.704 7.193 -12.283 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.438 10.906 -11.928 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.759 11.509 -13.068 1.00 0.00 C ATOM 1100 C ARG A 73 -13.367 10.448 -14.090 1.00 0.00 C ATOM 1101 O ARG A 73 -13.521 10.648 -15.296 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.517 12.272 -12.605 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.549 13.752 -12.948 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.220 14.611 -11.738 1.00 0.00 C ATOM 1105 NE ARG A 73 -10.867 15.157 -11.805 1.00 0.00 N ATOM 1106 CZ ARG A 73 -10.546 16.387 -11.414 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -11.479 17.195 -10.928 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -9.293 16.809 -11.507 1.00 0.00 N ATOM 0 H ARG A 73 -13.871 10.848 -11.082 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.449 12.207 -13.542 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.413 12.160 -11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.634 11.822 -13.058 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.836 13.957 -13.746 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.536 14.018 -13.327 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.938 15.428 -11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.326 14.015 -10.831 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.126 14.561 -12.173 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.444 16.873 -10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.231 18.138 -10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.573 16.190 -11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.049 17.753 -11.207 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.853 9.323 -13.598 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.429 8.224 -14.463 1.00 0.00 C ATOM 1124 C ASN A 74 -11.231 8.656 -15.298 1.00 0.00 C ATOM 1125 O ASN A 74 -11.047 8.204 -16.429 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.578 7.778 -15.374 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.500 6.305 -15.727 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.056 5.486 -14.923 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.933 5.963 -16.934 1.00 0.00 N ATOM 0 H ASN A 74 -12.720 9.148 -12.602 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.142 7.379 -13.838 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.529 7.980 -14.880 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.562 8.369 -16.290 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.906 4.987 -17.228 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.293 6.677 -17.568 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.410 9.518 -14.709 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.207 10.013 -15.346 1.00 0.00 C ATOM 1138 C LEU A 75 -8.362 8.873 -15.836 1.00 0.00 C ATOM 1139 O LEU A 75 -7.909 8.820 -16.979 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.418 10.772 -14.301 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.676 12.277 -14.251 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.890 12.923 -13.122 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.332 12.926 -15.584 1.00 0.00 C ATOM 0 H LEU A 75 -10.565 9.891 -13.773 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.474 10.645 -16.193 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.643 10.349 -13.322 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.356 10.608 -14.482 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.737 12.433 -14.058 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.090 13.994 -13.106 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.191 12.484 -12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.824 12.755 -13.278 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.523 13.998 -15.527 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.279 12.757 -15.810 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.947 12.489 -16.371 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.173 7.971 -14.916 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.403 6.783 -15.124 1.00 0.00 C ATOM 1157 C CYS A 76 -8.192 5.803 -15.982 1.00 0.00 C ATOM 1158 O CYS A 76 -7.623 5.024 -16.747 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.113 6.210 -13.759 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.418 5.599 -13.520 1.00 0.00 S ATOM 0 H CYS A 76 -8.562 8.046 -13.976 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.471 6.991 -15.649 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.315 6.976 -13.011 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.807 5.391 -13.572 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.513 5.860 -15.833 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.412 4.989 -16.580 1.00 0.00 C ATOM 1167 C ASN A 77 -9.982 3.543 -16.410 1.00 0.00 C ATOM 1168 O ASN A 77 -9.740 2.831 -17.385 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.421 5.368 -18.063 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.714 4.979 -18.751 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.172 3.842 -18.640 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.310 5.924 -19.468 1.00 0.00 N ATOM 0 H ASN A 77 -9.985 6.504 -15.198 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.423 5.110 -16.191 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.269 6.443 -18.161 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.585 4.881 -18.565 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.183 5.721 -19.954 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.895 6.853 -19.533 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.871 3.123 -15.158 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.448 1.770 -14.850 1.00 0.00 C ATOM 1181 C ILE A 78 -10.534 0.996 -14.110 1.00 0.00 C ATOM 1182 O ILE A 78 -11.332 1.578 -13.378 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.152 1.767 -14.012 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.455 1.523 -12.523 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.418 3.080 -14.213 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.614 2.351 -11.571 1.00 0.00 C ATOM 0 H ILE A 78 -10.068 3.701 -14.341 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.257 1.276 -15.803 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.514 0.950 -14.349 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.508 1.737 -12.339 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.301 0.467 -12.301 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.502 3.079 -13.622 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.169 3.200 -15.267 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.055 3.905 -13.895 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.892 2.117 -10.543 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.559 2.121 -11.723 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.786 3.410 -11.761 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.567 -0.336 -14.273 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.544 -1.175 -13.590 1.00 0.00 C ATOM 1200 C PRO A 79 -11.152 -1.371 -12.131 1.00 0.00 C ATOM 1201 O PRO A 79 -10.129 -1.988 -11.833 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.472 -2.492 -14.360 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.074 -2.550 -14.877 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.645 -1.124 -15.113 1.00 0.00 C ATOM 0 HA PRO A 79 -12.547 -0.748 -13.575 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.691 -3.342 -13.713 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.197 -2.516 -15.174 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.415 -3.040 -14.160 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.025 -3.127 -15.800 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.606 -0.966 -14.824 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.729 -0.850 -16.165 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.953 -0.824 -11.225 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.669 -0.923 -9.800 1.00 0.00 C ATOM 1214 C CYS A 80 -11.686 -2.374 -9.322 1.00 0.00 C ATOM 1215 O CYS A 80 -10.686 -2.875 -8.813 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.671 -0.081 -9.009 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.147 1.473 -9.840 1.00 0.00 S ATOM 0 H CYS A 80 -12.803 -0.308 -11.452 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.664 -0.537 -9.627 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.567 -0.675 -8.828 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.243 0.155 -8.035 1.00 0.00 H new ATOM 1222 N SER A 81 -12.826 -3.040 -9.469 1.00 0.00 N ATOM 1223 CA SER A 81 -12.965 -4.429 -9.034 1.00 0.00 C ATOM 1224 C SER A 81 -11.912 -5.340 -9.671 1.00 0.00 C ATOM 1225 O SER A 81 -11.559 -6.374 -9.104 1.00 0.00 O ATOM 1226 CB SER A 81 -14.365 -4.947 -9.367 1.00 0.00 C ATOM 1227 OG SER A 81 -14.758 -4.555 -10.671 1.00 0.00 O ATOM 0 H SER A 81 -13.668 -2.643 -9.886 1.00 0.00 H new ATOM 0 HA SER A 81 -12.811 -4.448 -7.955 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.381 -6.034 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.080 -4.565 -8.638 1.00 0.00 H new ATOM 0 HG SER A 81 -15.656 -4.900 -10.860 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.416 -4.961 -10.847 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.409 -5.763 -11.543 1.00 0.00 C ATOM 1235 C ALA A 82 -9.040 -5.632 -10.882 1.00 0.00 C ATOM 1236 O ALA A 82 -8.118 -6.392 -11.181 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.330 -5.361 -13.007 1.00 0.00 C ATOM 0 H ALA A 82 -11.692 -4.110 -11.336 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.713 -6.808 -11.480 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.577 -5.967 -13.510 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.299 -5.519 -13.481 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.058 -4.308 -13.081 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.922 -4.672 -9.975 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.673 -4.442 -9.256 1.00 0.00 C ATOM 1245 C LEU A 83 -7.754 -5.037 -7.857 1.00 0.00 C ATOM 1246 O LEU A 83 -6.756 -5.111 -7.140 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.362 -2.943 -9.178 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.941 -2.211 -7.964 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.893 -2.077 -6.869 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.467 -0.843 -8.370 1.00 0.00 C ATOM 0 H LEU A 83 -9.678 -4.037 -9.718 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.866 -4.933 -9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.280 -2.814 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.738 -2.464 -10.082 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.772 -2.798 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.324 -1.554 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.562 -3.068 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.041 -1.512 -7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.875 -0.336 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.653 -0.249 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.250 -0.962 -9.119 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.956 -5.448 -7.475 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.190 -6.027 -6.161 1.00 0.00 C ATOM 1264 C LEU A 84 -9.526 -7.509 -6.269 1.00 0.00 C ATOM 1265 O LEU A 84 -10.397 -8.016 -5.561 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.318 -5.266 -5.469 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.390 -3.787 -5.845 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.828 -3.294 -5.824 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.520 -2.957 -4.914 1.00 0.00 C ATOM 0 H LEU A 84 -9.788 -5.390 -8.062 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.280 -5.940 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.268 -5.740 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.191 -5.350 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.010 -3.673 -6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.855 -2.239 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.420 -3.867 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.242 -3.423 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.584 -1.906 -5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.867 -3.078 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.485 -3.291 -4.989 1.00 0.00 H new ATOM 1281 N SER A 85 -8.810 -8.198 -7.150 1.00 0.00 N ATOM 1282 CA SER A 85 -9.008 -9.630 -7.346 1.00 0.00 C ATOM 1283 C SER A 85 -7.686 -10.364 -7.222 1.00 0.00 C ATOM 1284 O SER A 85 -7.420 -11.340 -7.924 1.00 0.00 O ATOM 1285 CB SER A 85 -9.657 -9.911 -8.703 1.00 0.00 C ATOM 1286 OG SER A 85 -8.800 -9.532 -9.766 1.00 0.00 O ATOM 0 H SER A 85 -8.086 -7.788 -7.741 1.00 0.00 H new ATOM 0 HA SER A 85 -9.682 -9.993 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.894 -10.972 -8.784 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.599 -9.367 -8.779 1.00 0.00 H new ATOM 0 HG SER A 85 -9.237 -9.723 -10.622 1.00 0.00 H new ATOM 1292 N SER A 86 -6.867 -9.846 -6.325 1.00 0.00 N ATOM 1293 CA SER A 86 -5.535 -10.380 -6.056 1.00 0.00 C ATOM 1294 C SER A 86 -4.621 -9.987 -7.194 1.00 0.00 C ATOM 1295 O SER A 86 -3.573 -10.591 -7.423 1.00 0.00 O ATOM 1296 CB SER A 86 -5.567 -11.903 -5.894 1.00 0.00 C ATOM 1297 OG SER A 86 -4.365 -12.382 -5.317 1.00 0.00 O ATOM 0 H SER A 86 -7.106 -9.035 -5.755 1.00 0.00 H new ATOM 0 HA SER A 86 -5.165 -9.965 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.413 -12.187 -5.268 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.719 -12.372 -6.866 1.00 0.00 H new ATOM 0 HG SER A 86 -3.600 -11.937 -5.738 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.068 -8.978 -7.923 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.364 -8.472 -9.078 1.00 0.00 C ATOM 1305 C ASP A 87 -4.030 -6.994 -8.916 1.00 0.00 C ATOM 1306 O ASP A 87 -4.927 -6.156 -8.826 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.265 -8.670 -10.285 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.531 -8.521 -11.602 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.511 -9.216 -11.795 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.976 -7.710 -12.441 1.00 0.00 O ATOM 0 H ASP A 87 -5.939 -8.486 -7.723 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.422 -9.007 -9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.716 -9.661 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.080 -7.947 -10.246 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.741 -6.673 -8.885 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.313 -5.287 -8.740 1.00 0.00 C ATOM 1317 C ILE A 88 -2.147 -4.617 -10.094 1.00 0.00 C ATOM 1318 O ILE A 88 -1.894 -3.419 -10.167 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.984 -5.169 -7.969 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.122 -6.415 -8.180 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.247 -4.940 -6.491 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.362 -6.148 -8.060 1.00 0.00 C ATOM 0 H ILE A 88 -1.980 -7.348 -8.958 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.097 -4.786 -8.173 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.436 -4.310 -8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.407 -7.173 -7.450 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.330 -6.829 -9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.298 -4.859 -5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.815 -4.019 -6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.817 -5.778 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.913 -7.075 -8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.661 -5.414 -8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.583 -5.763 -7.065 1.00 0.00 H new ATOM 1334 N THR A 89 -2.274 -5.396 -11.164 1.00 0.00 N ATOM 1335 CA THR A 89 -2.125 -4.870 -12.515 1.00 0.00 C ATOM 1336 C THR A 89 -2.912 -3.577 -12.704 1.00 0.00 C ATOM 1337 O THR A 89 -2.353 -2.554 -13.096 1.00 0.00 O ATOM 1338 CB THR A 89 -2.587 -5.894 -13.569 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.174 -7.211 -13.188 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.015 -5.555 -14.938 1.00 0.00 C ATOM 0 H THR A 89 -2.480 -6.394 -11.121 1.00 0.00 H new ATOM 0 HA THR A 89 -1.063 -4.664 -12.652 1.00 0.00 H new ATOM 0 HB THR A 89 -3.675 -5.858 -13.626 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.473 -7.856 -13.863 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.354 -6.291 -15.667 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.354 -4.564 -15.239 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.926 -5.567 -14.890 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.214 -3.632 -12.441 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.075 -2.475 -12.598 1.00 0.00 C ATOM 1350 C ALA A 90 -4.664 -1.323 -11.679 1.00 0.00 C ATOM 1351 O ALA A 90 -4.607 -0.168 -12.106 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.524 -2.860 -12.351 1.00 0.00 C ATOM 0 H ALA A 90 -4.693 -4.472 -12.117 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.967 -2.124 -13.624 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.159 -1.983 -12.472 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.824 -3.626 -13.066 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.630 -3.248 -11.338 1.00 0.00 H new ATOM 1358 N SER A 91 -4.372 -1.642 -10.420 1.00 0.00 N ATOM 1359 CA SER A 91 -3.962 -0.629 -9.448 1.00 0.00 C ATOM 1360 C SER A 91 -2.641 0.011 -9.844 1.00 0.00 C ATOM 1361 O SER A 91 -2.428 1.208 -9.632 1.00 0.00 O ATOM 1362 CB SER A 91 -3.842 -1.247 -8.055 1.00 0.00 C ATOM 1363 OG SER A 91 -3.963 -2.658 -8.109 1.00 0.00 O ATOM 0 H SER A 91 -4.411 -2.591 -10.049 1.00 0.00 H new ATOM 0 HA SER A 91 -4.728 0.147 -9.432 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.881 -0.978 -7.616 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.615 -0.838 -7.405 1.00 0.00 H new ATOM 0 HG SER A 91 -3.881 -3.028 -7.205 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.756 -0.787 -10.419 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.467 -0.272 -10.832 1.00 0.00 C ATOM 1371 C VAL A 92 -0.597 0.571 -12.079 1.00 0.00 C ATOM 1372 O VAL A 92 -0.137 1.698 -12.100 1.00 0.00 O ATOM 1373 CB VAL A 92 0.585 -1.364 -11.085 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.823 -0.747 -11.733 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.945 -2.073 -9.789 1.00 0.00 C ATOM 0 H VAL A 92 -1.905 -1.778 -10.607 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.120 0.332 -9.994 1.00 0.00 H new ATOM 0 HB VAL A 92 0.169 -2.107 -11.765 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.566 -1.524 -11.911 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.546 -0.286 -12.681 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.241 0.010 -11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.691 -2.842 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.350 -1.351 -9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.052 -2.535 -9.367 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.230 0.030 -13.114 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.410 0.761 -14.342 1.00 0.00 C ATOM 1387 C ASN A 93 -1.817 2.193 -14.041 1.00 0.00 C ATOM 1388 O ASN A 93 -1.300 3.146 -14.631 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.444 0.066 -15.209 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.609 0.961 -15.587 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.500 1.795 -16.487 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.732 0.793 -14.899 1.00 0.00 N ATOM 0 H ASN A 93 -1.623 -0.911 -13.118 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.468 0.787 -14.890 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.963 -0.295 -16.118 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.823 -0.808 -14.680 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.549 1.367 -15.108 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.778 0.090 -14.161 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.733 2.331 -13.092 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.202 3.637 -12.680 1.00 0.00 C ATOM 1401 C CYS A 94 -2.057 4.463 -12.114 1.00 0.00 C ATOM 1402 O CYS A 94 -1.872 5.619 -12.493 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.313 3.508 -11.641 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.431 4.941 -11.600 1.00 0.00 S ATOM 0 H CYS A 94 -3.163 1.551 -12.596 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.601 4.144 -13.558 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.893 2.609 -11.850 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.866 3.377 -10.656 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.289 3.871 -11.200 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.170 4.584 -10.594 1.00 0.00 C ATOM 1411 C ALA A 95 0.958 4.783 -11.592 1.00 0.00 C ATOM 1412 O ALA A 95 1.591 5.829 -11.604 1.00 0.00 O ATOM 1413 CB ALA A 95 0.332 3.882 -9.356 1.00 0.00 C ATOM 0 H ALA A 95 -1.419 2.915 -10.868 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.537 5.565 -10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.165 4.443 -8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.472 3.818 -8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.666 2.878 -9.617 1.00 0.00 H new ATOM 1419 N LYS A 96 1.196 3.791 -12.447 1.00 0.00 N ATOM 1420 CA LYS A 96 2.228 3.911 -13.460 1.00 0.00 C ATOM 1421 C LYS A 96 2.018 5.251 -14.152 1.00 0.00 C ATOM 1422 O LYS A 96 2.955 5.964 -14.516 1.00 0.00 O ATOM 1423 CB LYS A 96 2.126 2.767 -14.472 1.00 0.00 C ATOM 1424 CG LYS A 96 3.475 2.252 -14.946 1.00 0.00 C ATOM 1425 CD LYS A 96 3.398 0.791 -15.361 1.00 0.00 C ATOM 1426 CE LYS A 96 3.638 0.623 -16.853 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.541 1.221 -17.663 1.00 0.00 N ATOM 0 H LYS A 96 0.691 2.905 -12.455 1.00 0.00 H new ATOM 0 HA LYS A 96 3.219 3.857 -13.008 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.570 1.944 -14.023 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.552 3.106 -15.335 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.820 2.853 -15.787 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.210 2.367 -14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.137 0.214 -14.805 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.419 0.389 -15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.585 1.090 -17.123 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.727 -0.437 -17.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.743 1.085 -18.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.641 0.758 -17.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.472 2.238 -17.457 1.00 0.00 H new ATOM 1441 N LYS A 97 0.735 5.583 -14.262 1.00 0.00 N ATOM 1442 CA LYS A 97 0.298 6.841 -14.844 1.00 0.00 C ATOM 1443 C LYS A 97 0.396 7.953 -13.805 1.00 0.00 C ATOM 1444 O LYS A 97 0.754 9.087 -14.126 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.136 6.726 -15.364 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.239 6.767 -16.879 1.00 0.00 C ATOM 1447 CD LYS A 97 -1.357 5.370 -17.468 1.00 0.00 C ATOM 1448 CE LYS A 97 -1.892 5.408 -18.890 1.00 0.00 C ATOM 1449 NZ LYS A 97 -0.912 6.010 -19.835 1.00 0.00 N ATOM 0 H LYS A 97 -0.029 4.984 -13.949 1.00 0.00 H new ATOM 0 HA LYS A 97 0.948 7.081 -15.686 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.570 5.793 -15.004 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.731 7.538 -14.946 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.106 7.360 -17.170 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.361 7.264 -17.291 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.380 4.886 -17.459 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.018 4.766 -16.846 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.134 4.396 -19.214 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.819 5.981 -18.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.314 6.018 -20.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.700 6.985 -19.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.036 5.449 -19.831 1.00 0.00 H new ATOM 1463 N ILE A 98 0.090 7.615 -12.553 1.00 0.00 N ATOM 1464 CA ILE A 98 0.158 8.582 -11.466 1.00 0.00 C ATOM 1465 C ILE A 98 1.577 9.132 -11.327 1.00 0.00 C ATOM 1466 O ILE A 98 1.783 10.344 -11.272 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.301 7.977 -10.123 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.792 7.621 -10.186 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.040 8.955 -8.985 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.268 6.788 -9.015 1.00 0.00 C ATOM 0 H ILE A 98 -0.206 6.681 -12.270 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.524 9.394 -11.717 1.00 0.00 H new ATOM 0 HB ILE A 98 0.269 7.067 -9.937 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.375 8.541 -10.227 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.988 7.078 -11.111 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.369 8.514 -8.044 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.027 9.173 -8.930 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.591 9.878 -9.165 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.331 6.575 -9.128 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.712 5.851 -8.985 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.104 7.337 -8.088 1.00 0.00 H new ATOM 1482 N VAL A 99 2.546 8.224 -11.268 1.00 0.00 N ATOM 1483 CA VAL A 99 3.948 8.595 -11.135 1.00 0.00 C ATOM 1484 C VAL A 99 4.493 9.177 -12.435 1.00 0.00 C ATOM 1485 O VAL A 99 5.428 9.977 -12.421 1.00 0.00 O ATOM 1486 CB VAL A 99 4.807 7.395 -10.696 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.238 6.557 -11.891 1.00 0.00 C ATOM 1488 CG2 VAL A 99 6.014 7.867 -9.901 1.00 0.00 C ATOM 0 H VAL A 99 2.382 7.218 -11.311 1.00 0.00 H new ATOM 0 HA VAL A 99 4.004 9.361 -10.362 1.00 0.00 H new ATOM 0 HB VAL A 99 4.197 6.761 -10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.843 5.718 -11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.356 6.181 -12.409 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.825 7.172 -12.574 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.610 7.006 -9.599 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.620 8.529 -10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.678 8.405 -9.014 1.00 0.00 H new ATOM 1498 N SER A 100 3.888 8.794 -13.561 1.00 0.00 N ATOM 1499 CA SER A 100 4.309 9.311 -14.857 1.00 0.00 C ATOM 1500 C SER A 100 3.668 10.673 -15.099 1.00 0.00 C ATOM 1501 O SER A 100 3.994 11.369 -16.061 1.00 0.00 O ATOM 1502 CB SER A 100 3.924 8.343 -15.976 1.00 0.00 C ATOM 1503 OG SER A 100 4.401 8.797 -17.231 1.00 0.00 O ATOM 0 H SER A 100 3.112 8.133 -13.599 1.00 0.00 H new ATOM 0 HA SER A 100 5.394 9.418 -14.855 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.334 7.356 -15.764 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.840 8.237 -16.012 1.00 0.00 H new ATOM 0 HG SER A 100 4.506 9.771 -17.208 1.00 0.00 H new ATOM 1509 N ASP A 101 2.751 11.041 -14.207 1.00 0.00 N ATOM 1510 CA ASP A 101 2.050 12.316 -14.301 1.00 0.00 C ATOM 1511 C ASP A 101 2.720 13.377 -13.430 1.00 0.00 C ATOM 1512 O ASP A 101 2.312 14.539 -13.432 1.00 0.00 O ATOM 1513 CB ASP A 101 0.587 12.148 -13.885 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.337 13.090 -14.631 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.322 14.301 -14.328 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.077 12.616 -15.518 1.00 0.00 O ATOM 0 H ASP A 101 2.476 10.470 -13.408 1.00 0.00 H new ATOM 0 HA ASP A 101 2.092 12.648 -15.339 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.276 11.119 -14.066 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.494 12.325 -12.813 1.00 0.00 H new ATOM 1521 N GLY A 102 3.749 12.974 -12.689 1.00 0.00 N ATOM 1522 CA GLY A 102 4.454 13.911 -11.832 1.00 0.00 C ATOM 1523 C GLY A 102 4.658 13.384 -10.423 1.00 0.00 C ATOM 1524 O GLY A 102 5.769 13.426 -9.894 1.00 0.00 O ATOM 0 H GLY A 102 4.106 12.019 -12.667 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.424 14.140 -12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.896 14.846 -11.788 1.00 0.00 H new ATOM 1528 N ASN A 103 3.584 12.893 -9.813 1.00 0.00 N ATOM 1529 CA ASN A 103 3.644 12.360 -8.454 1.00 0.00 C ATOM 1530 C ASN A 103 4.647 11.212 -8.355 1.00 0.00 C ATOM 1531 O ASN A 103 4.311 10.060 -8.621 1.00 0.00 O ATOM 1532 CB ASN A 103 2.261 11.882 -8.016 1.00 0.00 C ATOM 1533 CG ASN A 103 1.219 12.980 -8.090 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.154 13.849 -7.221 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.395 12.946 -9.131 1.00 0.00 N ATOM 0 H ASN A 103 2.658 12.853 -10.239 1.00 0.00 H new ATOM 0 HA ASN A 103 3.976 13.160 -7.792 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.951 11.048 -8.646 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.316 11.506 -6.994 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.327 13.659 -9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.484 12.207 -9.828 1.00 0.00 H new ATOM 1542 N GLY A 104 5.876 11.539 -7.971 1.00 0.00 N ATOM 1543 CA GLY A 104 6.912 10.528 -7.849 1.00 0.00 C ATOM 1544 C GLY A 104 7.044 9.970 -6.444 1.00 0.00 C ATOM 1545 O GLY A 104 8.071 10.165 -5.793 1.00 0.00 O ATOM 0 H GLY A 104 6.174 12.487 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.696 9.711 -8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.867 10.957 -8.153 1.00 0.00 H new ATOM 1549 N MET A 105 5.994 9.288 -5.976 1.00 0.00 N ATOM 1550 CA MET A 105 5.965 8.697 -4.638 1.00 0.00 C ATOM 1551 C MET A 105 5.589 9.754 -3.618 1.00 0.00 C ATOM 1552 O MET A 105 5.595 9.508 -2.412 1.00 0.00 O ATOM 1553 CB MET A 105 7.312 8.059 -4.270 1.00 0.00 C ATOM 1554 CG MET A 105 7.894 7.170 -5.360 1.00 0.00 C ATOM 1555 SD MET A 105 6.639 6.203 -6.219 1.00 0.00 S ATOM 1556 CE MET A 105 5.971 5.246 -4.863 1.00 0.00 C ATOM 0 H MET A 105 5.142 9.131 -6.515 1.00 0.00 H new ATOM 0 HA MET A 105 5.215 7.906 -4.636 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.026 8.850 -4.040 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.187 7.469 -3.362 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.426 7.790 -6.082 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.627 6.495 -4.919 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.844 4.210 -5.177 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.656 5.288 -4.016 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.005 5.657 -4.569 1.00 0.00 H new ATOM 1566 N ASN A 106 5.265 10.936 -4.121 1.00 0.00 N ATOM 1567 CA ASN A 106 4.887 12.058 -3.282 1.00 0.00 C ATOM 1568 C ASN A 106 3.375 12.128 -3.082 1.00 0.00 C ATOM 1569 O ASN A 106 2.899 12.608 -2.052 1.00 0.00 O ATOM 1570 CB ASN A 106 5.385 13.347 -3.925 1.00 0.00 C ATOM 1571 CG ASN A 106 6.765 13.747 -3.440 1.00 0.00 C ATOM 1572 OD1 ASN A 106 6.833 14.834 -2.682 1.00 0.00 O flip ATOM 1573 ND2 ASN A 106 7.758 13.085 -3.744 1.00 0.00 N flip ATOM 0 H ASN A 106 5.257 11.142 -5.120 1.00 0.00 H new ATOM 0 HA ASN A 106 5.342 11.924 -2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.406 13.223 -5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.681 14.151 -3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.658 12.256 -4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.680 13.366 -3.410 1.00 0.00 H new ATOM 1580 N ALA A 107 2.626 11.650 -4.070 1.00 0.00 N ATOM 1581 CA ALA A 107 1.167 11.662 -3.996 1.00 0.00 C ATOM 1582 C ALA A 107 0.677 10.838 -2.815 1.00 0.00 C ATOM 1583 O ALA A 107 -0.306 11.189 -2.162 1.00 0.00 O ATOM 1584 CB ALA A 107 0.565 11.137 -5.289 1.00 0.00 C ATOM 0 H ALA A 107 3.002 11.250 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 107 0.844 12.693 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.522 11.153 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.883 11.767 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.903 10.115 -5.459 1.00 0.00 H new ATOM 1590 N TRP A 108 1.370 9.738 -2.550 1.00 0.00 N ATOM 1591 CA TRP A 108 1.011 8.853 -1.452 1.00 0.00 C ATOM 1592 C TRP A 108 1.613 9.351 -0.139 1.00 0.00 C ATOM 1593 O TRP A 108 2.823 9.555 -0.032 1.00 0.00 O ATOM 1594 CB TRP A 108 1.467 7.430 -1.770 1.00 0.00 C ATOM 1595 CG TRP A 108 0.928 6.935 -3.082 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.267 6.310 -3.292 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.556 7.039 -4.367 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.418 6.012 -4.625 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.686 6.450 -5.306 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.768 7.571 -4.813 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.994 6.380 -6.665 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.071 7.501 -6.161 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.187 6.910 -7.072 1.00 0.00 C ATOM 0 H TRP A 108 2.186 9.438 -3.083 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.072 8.850 -1.333 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.556 7.397 -1.792 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.144 6.761 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.989 6.083 -2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.222 5.541 -5.040 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.456 8.029 -4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.315 5.924 -7.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.005 7.909 -6.517 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.453 6.872 -8.118 1.00 0.00 H new ATOM 1614 N VAL A 109 0.746 9.574 0.844 1.00 0.00 N ATOM 1615 CA VAL A 109 1.156 10.086 2.150 1.00 0.00 C ATOM 1616 C VAL A 109 1.860 9.047 3.013 1.00 0.00 C ATOM 1617 O VAL A 109 2.634 9.399 3.903 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.036 10.616 2.939 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.334 11.890 3.682 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.243 10.842 2.039 1.00 0.00 C ATOM 0 H VAL A 109 -0.257 9.406 0.760 1.00 0.00 H new ATOM 0 HA VAL A 109 1.859 10.888 1.927 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.311 9.859 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.531 12.251 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.150 11.683 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.648 12.650 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.075 11.220 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.990 11.568 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.530 9.900 1.572 1.00 0.00 H new ATOM 1630 N ALA A 110 1.601 7.773 2.758 1.00 0.00 N ATOM 1631 CA ALA A 110 2.232 6.709 3.534 1.00 0.00 C ATOM 1632 C ALA A 110 3.722 6.642 3.243 1.00 0.00 C ATOM 1633 O ALA A 110 4.506 6.164 4.064 1.00 0.00 O ATOM 1634 CB ALA A 110 1.568 5.372 3.245 1.00 0.00 C ATOM 0 H ALA A 110 0.966 7.450 2.028 1.00 0.00 H new ATOM 0 HA ALA A 110 2.102 6.935 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.051 4.591 3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.512 5.425 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.664 5.140 2.184 1.00 0.00 H new ATOM 1640 N TRP A 111 4.108 7.142 2.078 1.00 0.00 N ATOM 1641 CA TRP A 111 5.508 7.155 1.692 1.00 0.00 C ATOM 1642 C TRP A 111 6.185 8.406 2.240 1.00 0.00 C ATOM 1643 O TRP A 111 7.342 8.361 2.655 1.00 0.00 O ATOM 1644 CB TRP A 111 5.663 7.075 0.170 1.00 0.00 C ATOM 1645 CG TRP A 111 7.092 7.091 -0.288 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.864 6.008 -0.596 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.920 8.244 -0.489 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.120 6.416 -0.975 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.178 7.784 -0.918 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.719 9.621 -0.350 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.230 8.649 -1.208 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.764 10.480 -0.637 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.005 9.991 -1.062 1.00 0.00 C ATOM 0 H TRP A 111 3.473 7.542 1.387 1.00 0.00 H new ATOM 0 HA TRP A 111 5.992 6.276 2.118 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.185 6.163 -0.188 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.134 7.912 -0.286 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.535 4.980 -0.549 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.885 5.801 -1.253 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.764 10.007 -0.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.188 8.275 -1.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.620 11.545 -0.532 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.801 10.687 -1.279 1.00 0.00 H new ATOM 1664 N ARG A 112 5.455 9.521 2.266 1.00 0.00 N ATOM 1665 CA ARG A 112 5.988 10.771 2.794 1.00 0.00 C ATOM 1666 C ARG A 112 5.636 10.925 4.270 1.00 0.00 C ATOM 1667 O ARG A 112 5.212 11.994 4.710 1.00 0.00 O ATOM 1668 CB ARG A 112 5.423 11.948 2.015 1.00 0.00 C ATOM 1669 CG ARG A 112 6.399 12.549 1.016 1.00 0.00 C ATOM 1670 CD ARG A 112 5.841 13.813 0.385 1.00 0.00 C ATOM 1671 NE ARG A 112 5.522 14.830 1.384 1.00 0.00 N ATOM 1672 CZ ARG A 112 5.371 16.121 1.103 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.513 16.552 -0.144 1.00 0.00 N ATOM 1674 NH2 ARG A 112 5.080 16.982 2.068 1.00 0.00 N ATOM 0 H ARG A 112 4.495 9.581 1.928 1.00 0.00 H new ATOM 0 HA ARG A 112 7.073 10.751 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.528 11.624 1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.114 12.722 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.340 12.776 1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.620 11.819 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.566 14.215 -0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.943 13.569 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 112 5.409 14.533 2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.738 15.893 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.397 17.543 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.972 16.655 3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 112 4.965 17.972 1.851 1.00 0.00 H new ATOM 1688 N ASN A 113 5.820 9.859 5.026 1.00 0.00 N ATOM 1689 CA ASN A 113 5.526 9.881 6.455 1.00 0.00 C ATOM 1690 C ASN A 113 6.345 8.838 7.200 1.00 0.00 C ATOM 1691 O ASN A 113 7.153 9.169 8.068 1.00 0.00 O ATOM 1692 CB ASN A 113 4.034 9.638 6.692 1.00 0.00 C ATOM 1693 CG ASN A 113 3.503 10.421 7.875 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.729 11.626 7.990 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.789 9.739 8.764 1.00 0.00 N ATOM 0 H ASN A 113 6.171 8.966 4.679 1.00 0.00 H new ATOM 0 HA ASN A 113 5.795 10.865 6.838 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.477 9.915 5.797 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.864 8.574 6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.404 10.213 9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.626 8.741 8.630 1.00 0.00 H new ATOM 1702 N ARG A 114 6.122 7.578 6.861 1.00 0.00 N ATOM 1703 CA ARG A 114 6.829 6.477 7.500 1.00 0.00 C ATOM 1704 C ARG A 114 7.953 5.950 6.615 1.00 0.00 C ATOM 1705 O ARG A 114 8.671 5.027 6.998 1.00 0.00 O ATOM 1706 CB ARG A 114 5.852 5.349 7.818 1.00 0.00 C ATOM 1707 CG ARG A 114 5.227 5.454 9.199 1.00 0.00 C ATOM 1708 CD ARG A 114 3.941 6.264 9.169 1.00 0.00 C ATOM 1709 NE ARG A 114 3.436 6.541 10.512 1.00 0.00 N ATOM 1710 CZ ARG A 114 2.542 5.779 11.135 1.00 0.00 C ATOM 1711 NH1 ARG A 114 2.055 4.700 10.539 1.00 0.00 N ATOM 1712 NH2 ARG A 114 2.134 6.097 12.356 1.00 0.00 N ATOM 0 H ARG A 114 5.455 7.291 6.145 1.00 0.00 H new ATOM 0 HA ARG A 114 7.271 6.851 8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.060 5.345 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.373 4.395 7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.020 4.455 9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.935 5.919 9.885 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.117 7.205 8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.184 5.722 8.602 1.00 0.00 H new ATOM 0 HE ARG A 114 3.789 7.365 10.999 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.366 4.452 9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.369 4.118 11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.506 6.927 12.818 1.00 0.00 H new ATOM 0 HH22 ARG A 114 1.448 5.512 12.833 1.00 0.00 H new ATOM 1726 N CYS A 115 8.090 6.527 5.427 1.00 0.00 N ATOM 1727 CA CYS A 115 9.121 6.091 4.493 1.00 0.00 C ATOM 1728 C CYS A 115 10.175 7.166 4.261 1.00 0.00 C ATOM 1729 O CYS A 115 11.372 6.880 4.285 1.00 0.00 O ATOM 1730 CB CYS A 115 8.492 5.697 3.161 1.00 0.00 C ATOM 1731 SG CYS A 115 9.589 4.705 2.104 1.00 0.00 S ATOM 0 H CYS A 115 7.505 7.292 5.090 1.00 0.00 H new ATOM 0 HA CYS A 115 9.616 5.228 4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.579 5.134 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.203 6.600 2.624 1.00 0.00 H new ATOM 1736 N LYS A 116 9.732 8.395 4.020 1.00 0.00 N ATOM 1737 CA LYS A 116 10.647 9.501 3.768 1.00 0.00 C ATOM 1738 C LYS A 116 11.667 9.643 4.894 1.00 0.00 C ATOM 1739 O LYS A 116 11.397 10.282 5.912 1.00 0.00 O ATOM 1740 CB LYS A 116 9.869 10.808 3.603 1.00 0.00 C ATOM 1741 CG LYS A 116 10.614 11.861 2.799 1.00 0.00 C ATOM 1742 CD LYS A 116 9.753 13.091 2.560 1.00 0.00 C ATOM 1743 CE LYS A 116 10.461 14.102 1.673 1.00 0.00 C ATOM 1744 NZ LYS A 116 10.640 15.413 2.357 1.00 0.00 N ATOM 0 H LYS A 116 8.745 8.650 3.994 1.00 0.00 H new ATOM 0 HA LYS A 116 11.185 9.284 2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.918 10.596 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.639 11.211 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.523 12.149 3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.922 11.439 1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.813 12.794 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.505 13.554 3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.435 13.709 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.888 14.246 0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.127 16.074 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.710 15.801 2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.209 15.281 3.217 1.00 0.00 H new ATOM 1758 N GLY A 117 12.840 9.048 4.701 1.00 0.00 N ATOM 1759 CA GLY A 117 13.882 9.126 5.706 1.00 0.00 C ATOM 1760 C GLY A 117 14.430 7.768 6.102 1.00 0.00 C ATOM 1761 O GLY A 117 15.216 7.665 7.043 1.00 0.00 O ATOM 0 H GLY A 117 13.086 8.514 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.697 9.744 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.488 9.624 6.592 1.00 0.00 H new ATOM 1765 N THR A 118 14.021 6.722 5.387 1.00 0.00 N ATOM 1766 CA THR A 118 14.486 5.370 5.682 1.00 0.00 C ATOM 1767 C THR A 118 15.274 4.797 4.505 1.00 0.00 C ATOM 1768 O THR A 118 15.924 5.537 3.766 1.00 0.00 O ATOM 1769 CB THR A 118 13.308 4.433 6.011 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.407 4.368 4.900 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.563 4.916 7.247 1.00 0.00 C ATOM 0 H THR A 118 13.372 6.785 4.603 1.00 0.00 H new ATOM 0 HA THR A 118 15.138 5.435 6.553 1.00 0.00 H new ATOM 0 HB THR A 118 13.708 3.439 6.211 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.059 5.264 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.735 4.239 7.461 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.244 4.936 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.175 5.919 7.069 1.00 0.00 H new ATOM 1779 N ASP A 119 15.218 3.477 4.333 1.00 0.00 N ATOM 1780 CA ASP A 119 15.932 2.821 3.244 1.00 0.00 C ATOM 1781 C ASP A 119 15.068 1.781 2.541 1.00 0.00 C ATOM 1782 O ASP A 119 14.836 0.691 3.063 1.00 0.00 O ATOM 1783 CB ASP A 119 17.194 2.174 3.760 1.00 0.00 C ATOM 1784 CG ASP A 119 18.295 2.131 2.720 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.697 3.210 2.235 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.755 1.018 2.387 1.00 0.00 O ATOM 0 H ASP A 119 14.687 2.845 4.932 1.00 0.00 H new ATOM 0 HA ASP A 119 16.188 3.590 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.547 2.721 4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.969 1.159 4.088 1.00 0.00 H new ATOM 1791 N VAL A 120 14.599 2.129 1.347 1.00 0.00 N ATOM 1792 CA VAL A 120 13.765 1.238 0.553 1.00 0.00 C ATOM 1793 C VAL A 120 14.609 0.143 -0.082 1.00 0.00 C ATOM 1794 O VAL A 120 14.142 -0.980 -0.278 1.00 0.00 O ATOM 1795 CB VAL A 120 13.017 2.006 -0.553 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.017 2.977 0.053 1.00 0.00 C ATOM 1797 CG2 VAL A 120 13.999 2.737 -1.457 1.00 0.00 C ATOM 0 H VAL A 120 14.785 3.030 0.906 1.00 0.00 H new ATOM 0 HA VAL A 120 13.033 0.792 1.226 1.00 0.00 H new ATOM 0 HB VAL A 120 12.468 1.286 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.499 3.510 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.292 2.426 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.542 3.692 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.451 3.273 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.579 3.446 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.672 2.016 -1.922 1.00 0.00 H new ATOM 1807 N GLN A 121 15.861 0.472 -0.388 1.00 0.00 N ATOM 1808 CA GLN A 121 16.775 -0.492 -0.982 1.00 0.00 C ATOM 1809 C GLN A 121 16.931 -1.683 -0.049 1.00 0.00 C ATOM 1810 O GLN A 121 17.256 -2.791 -0.475 1.00 0.00 O ATOM 1811 CB GLN A 121 18.137 0.152 -1.249 1.00 0.00 C ATOM 1812 CG GLN A 121 19.031 -0.674 -2.160 1.00 0.00 C ATOM 1813 CD GLN A 121 18.572 -0.652 -3.605 1.00 0.00 C ATOM 1814 OE1 GLN A 121 18.249 0.404 -4.151 1.00 0.00 O ATOM 1815 NE2 GLN A 121 18.537 -1.822 -4.232 1.00 0.00 N ATOM 0 H GLN A 121 16.263 1.397 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 121 16.365 -0.829 -1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 121 17.984 1.134 -1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.647 0.311 -0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 121 20.052 -0.296 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 121 19.052 -1.704 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 121 18.813 -2.672 -3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 121 18.234 -1.870 -5.205 1.00 0.00 H new ATOM 1824 N ALA A 122 16.675 -1.438 1.232 1.00 0.00 N ATOM 1825 CA ALA A 122 16.760 -2.475 2.247 1.00 0.00 C ATOM 1826 C ALA A 122 15.416 -3.173 2.406 1.00 0.00 C ATOM 1827 O ALA A 122 15.347 -4.302 2.890 1.00 0.00 O ATOM 1828 CB ALA A 122 17.215 -1.883 3.573 1.00 0.00 C ATOM 0 H ALA A 122 16.405 -0.522 1.591 1.00 0.00 H new ATOM 0 HA ALA A 122 17.496 -3.213 1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.274 -2.672 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.197 -1.426 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.501 -1.126 3.898 1.00 0.00 H new ATOM 1834 N TRP A 123 14.347 -2.495 1.985 1.00 0.00 N ATOM 1835 CA TRP A 123 13.005 -3.065 2.076 1.00 0.00 C ATOM 1836 C TRP A 123 12.885 -4.315 1.209 1.00 0.00 C ATOM 1837 O TRP A 123 11.975 -5.123 1.391 1.00 0.00 O ATOM 1838 CB TRP A 123 11.952 -2.038 1.650 1.00 0.00 C ATOM 1839 CG TRP A 123 11.434 -1.204 2.783 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.245 0.146 2.780 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.034 -1.661 4.083 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.757 0.555 3.997 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.620 -0.540 4.810 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.986 -2.908 4.703 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.168 -0.637 6.117 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.537 -3.001 6.001 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.131 -1.869 6.698 1.00 0.00 C ATOM 0 H TRP A 123 14.385 -1.559 1.581 1.00 0.00 H new ATOM 0 HA TRP A 123 12.831 -3.342 3.116 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.382 -1.381 0.894 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.117 -2.559 1.182 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.449 0.798 1.944 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.533 1.516 4.254 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.298 -3.794 4.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.853 0.241 6.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.500 -3.966 6.484 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.781 -1.967 7.715 1.00 0.00 H new ATOM 1858 N ILE A 124 13.813 -4.468 0.270 1.00 0.00 N ATOM 1859 CA ILE A 124 13.817 -5.620 -0.624 1.00 0.00 C ATOM 1860 C ILE A 124 15.149 -6.360 -0.558 1.00 0.00 C ATOM 1861 O ILE A 124 15.433 -7.224 -1.387 1.00 0.00 O ATOM 1862 CB ILE A 124 13.545 -5.203 -2.082 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.479 -4.065 -2.495 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.090 -4.792 -2.253 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.898 -4.124 -3.949 1.00 0.00 C ATOM 0 H ILE A 124 14.573 -3.807 0.108 1.00 0.00 H new ATOM 0 HA ILE A 124 13.018 -6.282 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 124 13.739 -6.058 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.984 -3.113 -2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.370 -4.091 -1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.914 -4.500 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.443 -5.631 -1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.870 -3.950 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.559 -3.287 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.422 -5.061 -4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.014 -4.067 -4.585 1.00 0.00 H new ATOM 1877 N ARG A 125 15.959 -6.012 0.436 1.00 0.00 N ATOM 1878 CA ARG A 125 17.264 -6.640 0.616 1.00 0.00 C ATOM 1879 C ARG A 125 17.114 -8.106 1.010 1.00 0.00 C ATOM 1880 O ARG A 125 16.835 -8.423 2.166 1.00 0.00 O ATOM 1881 CB ARG A 125 18.068 -5.894 1.683 1.00 0.00 C ATOM 1882 CG ARG A 125 19.540 -5.736 1.336 1.00 0.00 C ATOM 1883 CD ARG A 125 20.341 -6.964 1.739 1.00 0.00 C ATOM 1884 NE ARG A 125 20.600 -7.000 3.176 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.394 -7.893 3.760 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.005 -8.819 3.032 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.578 -7.859 5.072 1.00 0.00 N ATOM 0 H ARG A 125 15.735 -5.298 1.130 1.00 0.00 H new ATOM 0 HA ARG A 125 17.797 -6.591 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.630 -4.907 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.982 -6.427 2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.646 -5.566 0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.942 -4.857 1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.799 -7.863 1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.288 -6.972 1.199 1.00 0.00 H new ATOM 0 HE ARG A 125 20.147 -6.301 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.866 -8.847 2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.613 -9.503 3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.111 -7.148 5.634 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.187 -8.544 5.519 1.00 0.00 H new ATOM 1901 N GLY A 126 17.301 -8.995 0.039 1.00 0.00 N ATOM 1902 CA GLY A 126 17.184 -10.418 0.303 1.00 0.00 C ATOM 1903 C GLY A 126 15.975 -11.037 -0.372 1.00 0.00 C ATOM 1904 O GLY A 126 15.783 -12.252 -0.321 1.00 0.00 O ATOM 0 H GLY A 126 17.531 -8.756 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.086 -10.923 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.118 -10.580 1.379 1.00 0.00 H new ATOM 1908 N CYS A 127 15.157 -10.200 -1.002 1.00 0.00 N ATOM 1909 CA CYS A 127 13.960 -10.667 -1.686 1.00 0.00 C ATOM 1910 C CYS A 127 14.306 -11.559 -2.875 1.00 0.00 C ATOM 1911 O CYS A 127 15.452 -11.980 -3.035 1.00 0.00 O ATOM 1912 CB CYS A 127 13.129 -9.484 -2.141 1.00 0.00 C ATOM 1913 SG CYS A 127 11.888 -8.934 -0.926 1.00 0.00 S ATOM 0 H CYS A 127 15.303 -9.192 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 127 13.381 -11.264 -0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.795 -8.651 -2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.621 -9.746 -3.069 1.00 0.00 H new ATOM 1918 N ARG A 128 13.309 -11.842 -3.706 1.00 0.00 N ATOM 1919 CA ARG A 128 13.507 -12.684 -4.880 1.00 0.00 C ATOM 1920 C ARG A 128 13.048 -11.969 -6.146 1.00 0.00 C ATOM 1921 O ARG A 128 12.020 -12.313 -6.729 1.00 0.00 O ATOM 1922 CB ARG A 128 12.750 -14.004 -4.720 1.00 0.00 C ATOM 1923 CG ARG A 128 13.463 -15.010 -3.832 1.00 0.00 C ATOM 1924 CD ARG A 128 12.522 -16.112 -3.373 1.00 0.00 C ATOM 1925 NE ARG A 128 12.696 -17.338 -4.146 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.531 -18.315 -3.804 1.00 0.00 C ATOM 1927 NH1 ARG A 128 14.266 -18.209 -2.705 1.00 0.00 N ATOM 1928 NH2 ARG A 128 13.631 -19.400 -4.561 1.00 0.00 N ATOM 0 H ARG A 128 12.355 -11.500 -3.588 1.00 0.00 H new ATOM 0 HA ARG A 128 14.573 -12.894 -4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.764 -13.799 -4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.595 -14.446 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.300 -15.448 -4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 128 13.879 -14.500 -2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.696 -16.321 -2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.491 -15.770 -3.464 1.00 0.00 H new ATOM 0 HE ARG A 128 12.146 -17.452 -4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.192 -17.377 -2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.906 -18.960 -2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.067 -19.486 -5.407 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.272 -20.148 -4.297 1.00 0.00 H new ATOM 1942 N LEU A 129 13.817 -10.969 -6.566 1.00 0.00 N ATOM 1943 CA LEU A 129 13.490 -10.202 -7.761 1.00 0.00 C ATOM 1944 C LEU A 129 14.447 -10.537 -8.902 1.00 0.00 C ATOM 1945 O LEU A 129 15.671 -10.568 -8.656 1.00 0.00 O ATOM 1946 CB LEU A 129 13.543 -8.703 -7.459 1.00 0.00 C ATOM 1947 CG LEU A 129 12.633 -8.241 -6.320 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.411 -7.388 -5.329 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.444 -7.470 -6.870 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.963 -10.766 -10.030 1.00 0.00 O ATOM 0 H LEU A 129 14.672 -10.671 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 129 12.479 -10.469 -8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 129 14.571 -8.433 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 129 13.275 -8.156 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 129 12.260 -9.121 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.748 -7.068 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.231 -7.972 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.812 -6.512 -5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.806 -7.148 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.798 -6.596 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 129 10.873 -8.112 -7.541 1.00 0.00 H new