USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 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 HD1:sc= -0.702 K(o=-0.72,f=-2) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.0152 USER MOD Set 2.1: A 51 THR OG1 : rot -24:sc= 0.468 USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 46 ASN : amide:sc= -0.0747 X(o=0.43,f=0.088) USER MOD Set 3.2: A 50 SER OG : rot 29:sc= 0.505 USER MOD Set 4.1: A 1 LYS NZ :NH3+ -127:sc= -0.111 (180deg=-0.679) USER MOD Set 4.2: A 41 GLN :FLIP amide:sc= -0.726 F(o=-1.6!,f=-0.84) USER MOD Set 5.1: A 33 LYS NZ :NH3+ 162:sc= -0.0939 (180deg=-0.405) USER MOD Set 5.2: A 37 ASN : amide:sc= 0 X(o=-0.094,f=-0.094) USER MOD Set 6.1: A 24 SER OG : rot -26:sc= 0.955 USER MOD Set 6.2: A 27 ASN : amide:sc= -3.63! C(o=-2.7!,f=-5.4!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -154:sc= -11! (180deg=-14!) USER MOD Single : A 13 LYS NZ :NH3+ -141:sc= 0.283 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.1) 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 36 SER OG : rot -95:sc= -2.12! USER MOD Single : A 39 ASN : amide:sc= -0.0417 K(o=-0.042,f=-6!) USER MOD Single : A 40 THR OG1 : rot -81:sc= 0.00815 USER MOD Single : A 43 THR OG1 : rot -2:sc= 0.681 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 59 ASN : amide:sc= -2.74! C(o=-2.7!,f=-7.7!) USER MOD Single : A 60 SER OG : rot -160:sc= 0.144 USER MOD Single : A 65 ASN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 64:sc= 0.406 USER MOD Single : A 74 ASN : amide:sc= -5.79! C(o=-5.8!,f=-9.4!) USER MOD Single : A 77 ASN : amide:sc= -0.0978 K(o=-0.098,f=-0.66) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -51:sc= 0.00817 USER MOD Single : A 91 SER OG : rot -171:sc= -1.92 USER MOD Single : A 93 ASN : amide:sc= -0.139 X(o=-0.14,f=0.18) USER MOD Single : A 96 LYS NZ :NH3+ -178:sc=0.000563 (180deg=0.000429) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -24:sc= 0.256 USER MOD Single : A 103 ASN : amide:sc= -0.841 K(o=-0.84,f=-1.4) USER MOD Single : A 105 MET CE :methyl -134:sc= -0.673 (180deg=-2.82) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.971 -10.344 1.998 1.00 0.00 N ATOM 2 CA LYS A 1 -5.999 -10.703 0.932 1.00 0.00 C ATOM 3 C LYS A 1 -4.881 -9.670 0.836 1.00 0.00 C ATOM 4 O LYS A 1 -4.936 -8.756 0.014 1.00 0.00 O ATOM 5 CB LYS A 1 -6.747 -10.798 -0.399 1.00 0.00 C ATOM 6 CG LYS A 1 -7.313 -12.180 -0.682 1.00 0.00 C ATOM 7 CD LYS A 1 -7.332 -12.480 -2.172 1.00 0.00 C ATOM 8 CE LYS A 1 -8.610 -11.978 -2.824 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.356 -10.823 -3.729 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.721 -11.064 2.041 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.481 -10.299 2.914 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.393 -9.417 1.786 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.540 -11.662 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.562 -10.074 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.071 -10.519 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.715 -12.932 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.325 -12.248 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.471 -12.013 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.240 -13.555 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.071 -12.788 -3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.320 -11.684 -2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.983 -10.035 -3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.365 -10.521 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.542 -11.105 -4.713 1.00 0.00 H new ATOM 25 N VAL A 2 -3.867 -9.823 1.683 1.00 0.00 N ATOM 26 CA VAL A 2 -2.734 -8.904 1.696 1.00 0.00 C ATOM 27 C VAL A 2 -1.495 -9.554 1.088 1.00 0.00 C ATOM 28 O VAL A 2 -1.200 -10.718 1.357 1.00 0.00 O ATOM 29 CB VAL A 2 -2.406 -8.442 3.134 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.105 -7.657 3.173 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.539 -7.606 3.702 1.00 0.00 C ATOM 0 H VAL A 2 -3.807 -10.575 2.369 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.017 -8.038 1.098 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.287 -9.333 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.899 -7.345 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.290 -8.286 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.192 -6.777 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.287 -7.292 4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.691 -6.727 3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.453 -8.199 3.723 1.00 0.00 H new ATOM 41 N PHE A 3 -0.753 -8.787 0.289 1.00 0.00 N ATOM 42 CA PHE A 3 0.468 -9.284 -0.326 1.00 0.00 C ATOM 43 C PHE A 3 1.590 -9.324 0.699 1.00 0.00 C ATOM 44 O PHE A 3 1.452 -8.807 1.808 1.00 0.00 O ATOM 45 CB PHE A 3 0.904 -8.376 -1.480 1.00 0.00 C ATOM 46 CG PHE A 3 -0.009 -8.383 -2.669 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.698 -9.525 -3.039 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.164 -7.237 -3.430 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.525 -9.523 -4.144 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.985 -7.228 -4.535 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.668 -8.372 -4.895 1.00 0.00 C ATOM 0 H PHE A 3 -0.980 -7.820 0.055 1.00 0.00 H new ATOM 0 HA PHE A 3 0.266 -10.286 -0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.985 -7.354 -1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.900 -8.677 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.587 -10.428 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.366 -6.338 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.059 -10.420 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.095 -6.327 -5.120 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.313 -8.368 -5.762 1.00 0.00 H new ATOM 61 N GLY A 4 2.708 -9.917 0.313 1.00 0.00 N ATOM 62 CA GLY A 4 3.853 -9.988 1.197 1.00 0.00 C ATOM 63 C GLY A 4 4.831 -8.867 0.917 1.00 0.00 C ATOM 64 O GLY A 4 4.437 -7.801 0.445 1.00 0.00 O ATOM 0 H GLY A 4 2.844 -10.352 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.520 -9.933 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.352 -10.949 1.073 1.00 0.00 H new ATOM 68 N ARG A 5 6.107 -9.101 1.194 1.00 0.00 N ATOM 69 CA ARG A 5 7.127 -8.090 0.951 1.00 0.00 C ATOM 70 C ARG A 5 7.706 -8.228 -0.446 1.00 0.00 C ATOM 71 O ARG A 5 7.655 -7.290 -1.241 1.00 0.00 O ATOM 72 CB ARG A 5 8.239 -8.185 1.997 1.00 0.00 C ATOM 73 CG ARG A 5 7.764 -7.920 3.416 1.00 0.00 C ATOM 74 CD ARG A 5 8.860 -8.200 4.432 1.00 0.00 C ATOM 75 NE ARG A 5 8.520 -9.316 5.310 1.00 0.00 N ATOM 76 CZ ARG A 5 8.773 -10.588 5.018 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.366 -10.904 3.874 1.00 0.00 N ATOM 78 NH2 ARG A 5 8.434 -11.546 5.869 1.00 0.00 N ATOM 0 H ARG A 5 6.459 -9.975 1.584 1.00 0.00 H new ATOM 0 HA ARG A 5 6.655 -7.111 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.685 -9.179 1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.024 -7.472 1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.440 -6.883 3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.897 -8.544 3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.791 -8.420 3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.035 -7.307 5.032 1.00 0.00 H new ATOM 0 HE ARG A 5 8.063 -9.108 6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.629 -10.170 3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.559 -11.881 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.978 -11.308 6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.629 -12.521 5.643 1.00 0.00 H new ATOM 92 N CYS A 6 8.257 -9.396 -0.747 1.00 0.00 N ATOM 93 CA CYS A 6 8.837 -9.625 -2.057 1.00 0.00 C ATOM 94 C CYS A 6 7.782 -10.060 -3.059 1.00 0.00 C ATOM 95 O CYS A 6 7.829 -9.657 -4.212 1.00 0.00 O ATOM 96 CB CYS A 6 9.946 -10.660 -1.994 1.00 0.00 C ATOM 97 SG CYS A 6 10.987 -10.547 -0.504 1.00 0.00 S ATOM 0 H CYS A 6 8.313 -10.189 -0.108 1.00 0.00 H new ATOM 0 HA CYS A 6 9.262 -8.678 -2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.503 -11.655 -2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.579 -10.552 -2.875 1.00 0.00 H new ATOM 102 N GLU A 7 6.823 -10.870 -2.619 1.00 0.00 N ATOM 103 CA GLU A 7 5.762 -11.318 -3.513 1.00 0.00 C ATOM 104 C GLU A 7 5.242 -10.123 -4.297 1.00 0.00 C ATOM 105 O GLU A 7 5.186 -10.135 -5.530 1.00 0.00 O ATOM 106 CB GLU A 7 4.626 -11.970 -2.721 1.00 0.00 C ATOM 107 CG GLU A 7 5.079 -13.133 -1.854 1.00 0.00 C ATOM 108 CD GLU A 7 4.007 -14.195 -1.698 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.893 -13.852 -1.248 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.283 -15.368 -2.026 1.00 0.00 O ATOM 0 H GLU A 7 6.759 -11.224 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 7 6.160 -12.064 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.157 -11.217 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.864 -12.321 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.970 -13.583 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.361 -12.759 -0.870 1.00 0.00 H new ATOM 117 N LEU A 8 4.897 -9.075 -3.560 1.00 0.00 N ATOM 118 CA LEU A 8 4.413 -7.846 -4.156 1.00 0.00 C ATOM 119 C LEU A 8 5.510 -7.192 -4.993 1.00 0.00 C ATOM 120 O LEU A 8 5.237 -6.686 -6.078 1.00 0.00 O ATOM 121 CB LEU A 8 3.933 -6.881 -3.062 1.00 0.00 C ATOM 122 CG LEU A 8 3.368 -5.536 -3.547 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.477 -4.504 -3.683 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.622 -5.695 -4.866 1.00 0.00 C ATOM 0 H LEU A 8 4.946 -9.057 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 8 3.573 -8.083 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.165 -7.384 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.768 -6.680 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 8 2.658 -5.184 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.055 -3.560 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.957 -4.356 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.215 -4.856 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.234 -4.727 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.303 -6.080 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.794 -6.392 -4.734 1.00 0.00 H new ATOM 136 N ALA A 9 6.750 -7.208 -4.487 1.00 0.00 N ATOM 137 CA ALA A 9 7.869 -6.603 -5.207 1.00 0.00 C ATOM 138 C ALA A 9 8.092 -7.274 -6.557 1.00 0.00 C ATOM 139 O ALA A 9 8.156 -6.601 -7.583 1.00 0.00 O ATOM 140 CB ALA A 9 9.138 -6.649 -4.377 1.00 0.00 C ATOM 0 H ALA A 9 6.998 -7.629 -3.592 1.00 0.00 H new ATOM 0 HA ALA A 9 7.613 -5.559 -5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.955 -6.193 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.984 -6.102 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.388 -7.686 -4.151 1.00 0.00 H new ATOM 146 N ALA A 10 8.200 -8.599 -6.556 1.00 0.00 N ATOM 147 CA ALA A 10 8.397 -9.342 -7.789 1.00 0.00 C ATOM 148 C ALA A 10 7.352 -8.924 -8.807 1.00 0.00 C ATOM 149 O ALA A 10 7.643 -8.783 -9.994 1.00 0.00 O ATOM 150 CB ALA A 10 8.324 -10.838 -7.528 1.00 0.00 C ATOM 0 H ALA A 10 8.154 -9.176 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 10 9.387 -9.118 -8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.474 -11.378 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.100 -11.122 -6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.346 -11.088 -7.117 1.00 0.00 H new ATOM 156 N ALA A 11 6.130 -8.703 -8.324 1.00 0.00 N ATOM 157 CA ALA A 11 5.046 -8.275 -9.191 1.00 0.00 C ATOM 158 C ALA A 11 5.347 -6.906 -9.762 1.00 0.00 C ATOM 159 O ALA A 11 5.041 -6.608 -10.916 1.00 0.00 O ATOM 160 CB ALA A 11 3.723 -8.276 -8.443 1.00 0.00 C ATOM 0 H ALA A 11 5.872 -8.814 -7.343 1.00 0.00 H new ATOM 0 HA ALA A 11 4.959 -8.982 -10.016 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.926 -7.952 -9.113 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.509 -9.283 -8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.784 -7.594 -7.595 1.00 0.00 H new ATOM 166 N MET A 12 5.962 -6.092 -8.935 1.00 0.00 N ATOM 167 CA MET A 12 6.343 -4.735 -9.328 1.00 0.00 C ATOM 168 C MET A 12 7.341 -4.779 -10.476 1.00 0.00 C ATOM 169 O MET A 12 7.171 -4.101 -11.489 1.00 0.00 O ATOM 170 CB MET A 12 6.969 -3.978 -8.159 1.00 0.00 C ATOM 171 CG MET A 12 6.252 -4.179 -6.838 1.00 0.00 C ATOM 172 SD MET A 12 4.653 -3.351 -6.789 1.00 0.00 S ATOM 173 CE MET A 12 5.126 -1.709 -7.315 1.00 0.00 C ATOM 0 H MET A 12 6.215 -6.339 -7.978 1.00 0.00 H new ATOM 0 HA MET A 12 5.437 -4.217 -9.643 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.006 -4.294 -8.049 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.983 -2.914 -8.395 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.111 -5.246 -6.663 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.877 -3.803 -6.028 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.418 -0.982 -6.918 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.126 -1.482 -6.944 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.123 -1.661 -8.404 1.00 0.00 H new ATOM 183 N LYS A 13 8.385 -5.587 -10.302 1.00 0.00 N ATOM 184 CA LYS A 13 9.421 -5.730 -11.318 1.00 0.00 C ATOM 185 C LYS A 13 8.792 -6.039 -12.667 1.00 0.00 C ATOM 186 O LYS A 13 9.090 -5.386 -13.667 1.00 0.00 O ATOM 187 CB LYS A 13 10.401 -6.840 -10.929 1.00 0.00 C ATOM 188 CG LYS A 13 11.857 -6.406 -10.970 1.00 0.00 C ATOM 189 CD LYS A 13 12.794 -7.601 -10.906 1.00 0.00 C ATOM 190 CE LYS A 13 13.570 -7.771 -12.202 1.00 0.00 C ATOM 191 NZ LYS A 13 13.795 -9.206 -12.531 1.00 0.00 N ATOM 0 H LYS A 13 8.534 -6.152 -9.466 1.00 0.00 H new ATOM 0 HA LYS A 13 9.969 -4.790 -11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.162 -7.189 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.264 -7.687 -11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.045 -5.843 -11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.062 -5.736 -10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.491 -7.474 -10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.219 -8.505 -10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.026 -7.293 -13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.531 -7.263 -12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.750 -9.326 -12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.701 -9.779 -11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.091 -9.516 -13.231 1.00 0.00 H new ATOM 205 N ARG A 14 7.912 -7.033 -12.682 1.00 0.00 N ATOM 206 CA ARG A 14 7.229 -7.422 -13.903 1.00 0.00 C ATOM 207 C ARG A 14 6.372 -6.271 -14.410 1.00 0.00 C ATOM 208 O ARG A 14 6.240 -6.068 -15.616 1.00 0.00 O ATOM 209 CB ARG A 14 6.361 -8.658 -13.660 1.00 0.00 C ATOM 210 CG ARG A 14 6.001 -9.408 -14.932 1.00 0.00 C ATOM 211 CD ARG A 14 7.126 -10.328 -15.375 1.00 0.00 C ATOM 212 NE ARG A 14 7.117 -11.593 -14.647 1.00 0.00 N ATOM 213 CZ ARG A 14 7.907 -11.853 -13.610 1.00 0.00 C ATOM 214 NH1 ARG A 14 8.766 -10.938 -13.178 1.00 0.00 N ATOM 215 NH2 ARG A 14 7.838 -13.029 -13.000 1.00 0.00 N ATOM 0 H ARG A 14 7.657 -7.582 -11.861 1.00 0.00 H new ATOM 0 HA ARG A 14 7.976 -7.667 -14.658 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.887 -9.334 -12.986 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.444 -8.354 -13.155 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.096 -9.992 -14.767 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.780 -8.694 -15.726 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.035 -10.524 -16.443 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.083 -9.829 -15.223 1.00 0.00 H new ATOM 0 HE ARG A 14 6.468 -12.319 -14.951 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.822 -10.031 -13.642 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.370 -11.141 -12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.178 -13.735 -13.327 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.445 -13.227 -12.204 1.00 0.00 H new ATOM 229 N HIS A 15 5.768 -5.537 -13.479 1.00 0.00 N ATOM 230 CA HIS A 15 4.897 -4.425 -13.830 1.00 0.00 C ATOM 231 C HIS A 15 5.690 -3.193 -14.254 1.00 0.00 C ATOM 232 O HIS A 15 5.105 -2.199 -14.684 1.00 0.00 O ATOM 233 CB HIS A 15 3.991 -4.073 -12.649 1.00 0.00 C ATOM 234 CG HIS A 15 2.692 -4.818 -12.644 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.059 -5.218 -11.486 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.902 -5.232 -13.664 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.939 -5.846 -11.793 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.820 -5.869 -13.108 1.00 0.00 N ATOM 0 H HIS A 15 5.867 -5.694 -12.476 1.00 0.00 H new ATOM 0 HA HIS A 15 4.290 -4.741 -14.678 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.522 -4.281 -11.720 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.786 -3.003 -12.666 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.089 -5.088 -14.718 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.239 -6.269 -11.088 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.050 -6.291 -13.626 1.00 0.00 H new ATOM 247 N GLY A 16 7.019 -3.267 -14.187 1.00 0.00 N ATOM 248 CA GLY A 16 7.842 -2.157 -14.627 1.00 0.00 C ATOM 249 C GLY A 16 7.890 -0.965 -13.689 1.00 0.00 C ATOM 250 O GLY A 16 8.156 0.147 -14.143 1.00 0.00 O ATOM 0 H GLY A 16 7.536 -4.074 -13.837 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.859 -2.519 -14.778 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.477 -1.819 -15.597 1.00 0.00 H new ATOM 254 N LEU A 17 7.639 -1.153 -12.392 1.00 0.00 N ATOM 255 CA LEU A 17 7.679 -0.014 -11.480 1.00 0.00 C ATOM 256 C LEU A 17 9.074 0.181 -10.918 1.00 0.00 C ATOM 257 O LEU A 17 9.345 1.149 -10.209 1.00 0.00 O ATOM 258 CB LEU A 17 6.668 -0.168 -10.341 1.00 0.00 C ATOM 259 CG LEU A 17 5.299 -0.739 -10.730 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.211 -0.133 -9.858 1.00 0.00 C ATOM 261 CD2 LEU A 17 4.981 -0.488 -12.199 1.00 0.00 C ATOM 0 H LEU A 17 7.414 -2.050 -11.963 1.00 0.00 H new ATOM 0 HA LEU A 17 7.406 0.870 -12.056 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.105 -0.813 -9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.515 0.809 -9.883 1.00 0.00 H new ATOM 0 HG LEU A 17 5.335 -1.817 -10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.244 -0.546 -10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.411 -0.366 -8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.198 0.949 -9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.003 -0.907 -12.436 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.972 0.585 -12.391 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.740 -0.962 -12.822 1.00 0.00 H new ATOM 273 N ASP A 18 9.955 -0.736 -11.250 1.00 0.00 N ATOM 274 CA ASP A 18 11.334 -0.665 -10.785 1.00 0.00 C ATOM 275 C ASP A 18 12.092 0.438 -11.524 1.00 0.00 C ATOM 276 O ASP A 18 12.577 0.244 -12.639 1.00 0.00 O ATOM 277 CB ASP A 18 12.031 -2.017 -10.949 1.00 0.00 C ATOM 278 CG ASP A 18 13.530 -1.886 -11.146 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.215 -1.431 -10.206 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.018 -2.239 -12.240 1.00 0.00 O ATOM 0 H ASP A 18 9.747 -1.542 -11.840 1.00 0.00 H new ATOM 0 HA ASP A 18 11.328 -0.419 -9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.837 -2.630 -10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.601 -2.541 -11.803 1.00 0.00 H new ATOM 285 N ASN A 19 12.179 1.593 -10.875 1.00 0.00 N ATOM 286 CA ASN A 19 12.869 2.760 -11.422 1.00 0.00 C ATOM 287 C ASN A 19 12.196 3.257 -12.683 1.00 0.00 C ATOM 288 O ASN A 19 12.846 3.801 -13.577 1.00 0.00 O ATOM 289 CB ASN A 19 14.343 2.447 -11.687 1.00 0.00 C ATOM 290 CG ASN A 19 15.221 3.680 -11.599 1.00 0.00 C ATOM 291 OD1 ASN A 19 14.735 4.810 -11.665 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.523 3.469 -11.448 1.00 0.00 N ATOM 0 H ASN A 19 11.773 1.749 -9.952 1.00 0.00 H new ATOM 0 HA ASN A 19 12.814 3.554 -10.677 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.689 1.706 -10.967 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.445 2.002 -12.677 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.164 4.260 -11.382 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.883 2.516 -11.398 1.00 0.00 H new ATOM 299 N TYR A 20 10.886 3.102 -12.731 1.00 0.00 N ATOM 300 CA TYR A 20 10.122 3.574 -13.868 1.00 0.00 C ATOM 301 C TYR A 20 10.210 5.084 -13.878 1.00 0.00 C ATOM 302 O TYR A 20 10.732 5.656 -12.923 1.00 0.00 O ATOM 303 CB TYR A 20 8.664 3.119 -13.765 1.00 0.00 C ATOM 304 CG TYR A 20 7.843 3.400 -15.003 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.080 2.714 -16.189 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.832 4.351 -14.988 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.332 2.969 -17.322 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.079 4.612 -16.117 1.00 0.00 C ATOM 309 CZ TYR A 20 6.333 3.918 -17.281 1.00 0.00 C ATOM 310 OH TYR A 20 5.585 4.175 -18.407 1.00 0.00 O ATOM 0 H TYR A 20 10.332 2.655 -12.000 1.00 0.00 H new ATOM 0 HA TYR A 20 10.524 3.163 -14.794 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.642 2.048 -13.562 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.199 3.615 -12.913 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.862 1.970 -16.225 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.630 4.897 -14.078 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.529 2.428 -18.235 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.296 5.355 -16.088 1.00 0.00 H new ATOM 0 HH TYR A 20 4.923 4.870 -18.208 1.00 0.00 H new ATOM 320 N ARG A 21 9.736 5.725 -14.947 1.00 0.00 N ATOM 321 CA ARG A 21 9.788 7.179 -15.047 1.00 0.00 C ATOM 322 C ARG A 21 9.809 7.799 -13.654 1.00 0.00 C ATOM 323 O ARG A 21 10.524 8.769 -13.396 1.00 0.00 O ATOM 324 CB ARG A 21 8.587 7.704 -15.839 1.00 0.00 C ATOM 325 CG ARG A 21 8.774 7.633 -17.345 1.00 0.00 C ATOM 326 CD ARG A 21 7.511 8.048 -18.083 1.00 0.00 C ATOM 327 NE ARG A 21 7.284 9.489 -18.009 1.00 0.00 N ATOM 328 CZ ARG A 21 7.125 10.267 -19.075 1.00 0.00 C ATOM 329 NH1 ARG A 21 7.169 9.745 -20.294 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.921 11.568 -18.924 1.00 0.00 N ATOM 0 H ARG A 21 9.314 5.260 -15.751 1.00 0.00 H new ATOM 0 HA ARG A 21 10.700 7.459 -15.573 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.702 7.130 -15.564 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.398 8.739 -15.553 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.599 8.281 -17.641 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.047 6.617 -17.631 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.585 7.746 -19.128 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.654 7.524 -17.659 1.00 0.00 H new ATOM 0 HE ARG A 21 7.245 9.923 -17.087 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.325 8.744 -20.415 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.047 10.344 -21.110 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.886 11.974 -17.989 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.799 12.164 -19.743 1.00 0.00 H new ATOM 344 N GLY A 22 9.018 7.208 -12.762 1.00 0.00 N ATOM 345 CA GLY A 22 8.942 7.677 -11.396 1.00 0.00 C ATOM 346 C GLY A 22 10.115 7.213 -10.554 1.00 0.00 C ATOM 347 O GLY A 22 11.203 7.784 -10.634 1.00 0.00 O ATOM 0 H GLY A 22 8.424 6.405 -12.968 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.905 8.766 -11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.014 7.324 -10.946 1.00 0.00 H new ATOM 351 N TYR A 23 9.890 6.199 -9.716 1.00 0.00 N ATOM 352 CA TYR A 23 10.952 5.714 -8.838 1.00 0.00 C ATOM 353 C TYR A 23 11.164 4.207 -8.896 1.00 0.00 C ATOM 354 O TYR A 23 10.511 3.492 -9.654 1.00 0.00 O ATOM 355 CB TYR A 23 10.676 6.147 -7.399 1.00 0.00 C ATOM 356 CG TYR A 23 11.005 7.599 -7.133 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.256 8.616 -7.712 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.063 7.952 -6.307 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.554 9.944 -7.479 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.366 9.278 -6.066 1.00 0.00 C ATOM 361 CZ TYR A 23 11.609 10.270 -6.654 1.00 0.00 C ATOM 362 OH TYR A 23 11.909 11.592 -6.418 1.00 0.00 O ATOM 0 H TYR A 23 9.001 5.707 -9.628 1.00 0.00 H new ATOM 0 HA TYR A 23 11.876 6.164 -9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.624 5.973 -7.171 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.257 5.521 -6.722 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.426 8.363 -8.356 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.659 7.178 -5.846 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.964 10.722 -7.940 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.192 9.537 -5.420 1.00 0.00 H new ATOM 0 HH TYR A 23 12.679 11.650 -5.815 1.00 0.00 H new ATOM 372 N SER A 24 12.125 3.753 -8.086 1.00 0.00 N ATOM 373 CA SER A 24 12.500 2.347 -8.020 1.00 0.00 C ATOM 374 C SER A 24 11.607 1.549 -7.079 1.00 0.00 C ATOM 375 O SER A 24 10.866 2.105 -6.270 1.00 0.00 O ATOM 376 CB SER A 24 13.957 2.217 -7.576 1.00 0.00 C ATOM 377 OG SER A 24 14.111 2.577 -6.214 1.00 0.00 O ATOM 0 H SER A 24 12.662 4.353 -7.460 1.00 0.00 H new ATOM 0 HA SER A 24 12.373 1.934 -9.021 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.295 1.191 -7.724 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.587 2.854 -8.197 1.00 0.00 H new ATOM 0 HG SER A 24 13.404 3.207 -5.960 1.00 0.00 H new ATOM 383 N LEU A 25 11.703 0.230 -7.213 1.00 0.00 N ATOM 384 CA LEU A 25 10.936 -0.711 -6.411 1.00 0.00 C ATOM 385 C LEU A 25 10.846 -0.289 -4.945 1.00 0.00 C ATOM 386 O LEU A 25 9.752 -0.169 -4.398 1.00 0.00 O ATOM 387 CB LEU A 25 11.582 -2.091 -6.518 1.00 0.00 C ATOM 388 CG LEU A 25 10.855 -3.066 -7.432 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.843 -4.007 -8.101 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.817 -3.847 -6.645 1.00 0.00 C ATOM 0 H LEU A 25 12.322 -0.218 -7.889 1.00 0.00 H new ATOM 0 HA LEU A 25 9.917 -0.733 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.604 -1.971 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.643 -2.526 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 25 10.344 -2.500 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.305 -4.697 -8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.552 -3.429 -8.693 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.381 -4.571 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.303 -4.541 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.309 -4.404 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.093 -3.156 -6.212 1.00 0.00 H new ATOM 402 N GLY A 26 12.000 -0.091 -4.310 1.00 0.00 N ATOM 403 CA GLY A 26 12.033 0.293 -2.906 1.00 0.00 C ATOM 404 C GLY A 26 10.991 1.335 -2.535 1.00 0.00 C ATOM 405 O GLY A 26 10.421 1.288 -1.444 1.00 0.00 O ATOM 0 H GLY A 26 12.917 -0.190 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.882 -0.595 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.023 0.681 -2.667 1.00 0.00 H new ATOM 409 N ASN A 27 10.746 2.279 -3.437 1.00 0.00 N ATOM 410 CA ASN A 27 9.770 3.337 -3.191 1.00 0.00 C ATOM 411 C ASN A 27 8.343 2.796 -3.251 1.00 0.00 C ATOM 412 O ASN A 27 7.473 3.222 -2.492 1.00 0.00 O ATOM 413 CB ASN A 27 9.948 4.462 -4.209 1.00 0.00 C ATOM 414 CG ASN A 27 11.405 4.841 -4.397 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.081 4.329 -5.290 1.00 0.00 O ATOM 416 ND2 ASN A 27 11.897 5.739 -3.553 1.00 0.00 N ATOM 0 H ASN A 27 11.209 2.334 -4.344 1.00 0.00 H new ATOM 0 HA ASN A 27 9.941 3.729 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.529 4.153 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.386 5.337 -3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.871 6.031 -3.630 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.301 6.138 -2.828 1.00 0.00 H new ATOM 423 N TRP A 28 8.116 1.854 -4.157 1.00 0.00 N ATOM 424 CA TRP A 28 6.802 1.241 -4.328 1.00 0.00 C ATOM 425 C TRP A 28 6.449 0.336 -3.160 1.00 0.00 C ATOM 426 O TRP A 28 5.332 0.381 -2.646 1.00 0.00 O ATOM 427 CB TRP A 28 6.770 0.445 -5.622 1.00 0.00 C ATOM 428 CG TRP A 28 6.982 1.310 -6.814 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.150 1.505 -7.477 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.000 2.113 -7.470 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.966 2.394 -8.502 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.649 2.777 -8.526 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.635 2.333 -7.267 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.980 3.651 -9.378 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.966 3.196 -8.110 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.639 3.849 -9.157 1.00 0.00 C ATOM 0 H TRP A 28 8.830 1.494 -4.790 1.00 0.00 H new ATOM 0 HA TRP A 28 6.063 2.041 -4.367 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.540 -0.326 -5.592 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.811 -0.065 -5.710 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.088 1.029 -7.232 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.690 2.718 -9.143 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.112 1.836 -6.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.496 4.154 -10.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.911 3.372 -7.963 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.090 4.520 -9.801 1.00 0.00 H new ATOM 447 N VAL A 29 7.399 -0.494 -2.747 1.00 0.00 N ATOM 448 CA VAL A 29 7.179 -1.417 -1.647 1.00 0.00 C ATOM 449 C VAL A 29 6.956 -0.682 -0.337 1.00 0.00 C ATOM 450 O VAL A 29 6.004 -0.966 0.386 1.00 0.00 O ATOM 451 CB VAL A 29 8.374 -2.377 -1.491 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.177 -3.307 -0.303 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.590 -3.167 -2.774 1.00 0.00 C ATOM 0 H VAL A 29 8.330 -0.545 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 29 6.281 -1.988 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 29 9.268 -1.783 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.035 -3.974 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.082 -2.717 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.272 -3.897 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.438 -3.841 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.695 -3.748 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.792 -2.479 -3.595 1.00 0.00 H new ATOM 463 N CYS A 30 7.842 0.250 -0.029 1.00 0.00 N ATOM 464 CA CYS A 30 7.738 1.009 1.206 1.00 0.00 C ATOM 465 C CYS A 30 6.443 1.817 1.257 1.00 0.00 C ATOM 466 O CYS A 30 5.764 1.842 2.286 1.00 0.00 O ATOM 467 CB CYS A 30 8.940 1.935 1.363 1.00 0.00 C ATOM 468 SG CYS A 30 8.972 2.829 2.946 1.00 0.00 S ATOM 0 H CYS A 30 8.639 0.499 -0.615 1.00 0.00 H new ATOM 0 HA CYS A 30 7.725 0.298 2.032 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.854 1.349 1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.939 2.658 0.547 1.00 0.00 H new ATOM 473 N ALA A 31 6.101 2.482 0.153 1.00 0.00 N ATOM 474 CA ALA A 31 4.889 3.288 0.099 1.00 0.00 C ATOM 475 C ALA A 31 3.641 2.434 0.287 1.00 0.00 C ATOM 476 O ALA A 31 2.751 2.786 1.057 1.00 0.00 O ATOM 477 CB ALA A 31 4.816 4.039 -1.221 1.00 0.00 C ATOM 0 H ALA A 31 6.645 2.477 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 31 4.929 4.006 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.906 4.638 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.683 4.692 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.807 3.326 -2.045 1.00 0.00 H new ATOM 483 N ALA A 32 3.582 1.314 -0.425 1.00 0.00 N ATOM 484 CA ALA A 32 2.437 0.413 -0.344 1.00 0.00 C ATOM 485 C ALA A 32 2.357 -0.275 1.015 1.00 0.00 C ATOM 486 O ALA A 32 1.288 -0.338 1.623 1.00 0.00 O ATOM 487 CB ALA A 32 2.506 -0.624 -1.456 1.00 0.00 C ATOM 0 H ALA A 32 4.314 1.008 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 32 1.534 1.011 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.647 -1.291 -1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.497 -0.121 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.424 -1.203 -1.357 1.00 0.00 H new ATOM 493 N LYS A 33 3.487 -0.801 1.479 1.00 0.00 N ATOM 494 CA LYS A 33 3.549 -1.501 2.758 1.00 0.00 C ATOM 495 C LYS A 33 2.870 -0.710 3.866 1.00 0.00 C ATOM 496 O LYS A 33 1.975 -1.213 4.537 1.00 0.00 O ATOM 497 CB LYS A 33 5.011 -1.768 3.140 1.00 0.00 C ATOM 498 CG LYS A 33 5.220 -2.049 4.621 1.00 0.00 C ATOM 499 CD LYS A 33 4.644 -3.397 5.023 1.00 0.00 C ATOM 500 CE LYS A 33 4.750 -3.623 6.522 1.00 0.00 C ATOM 501 NZ LYS A 33 4.007 -2.589 7.294 1.00 0.00 N ATOM 0 H LYS A 33 4.378 -0.755 0.984 1.00 0.00 H new ATOM 0 HA LYS A 33 3.018 -2.446 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.377 -2.618 2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.614 -0.906 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.286 -2.026 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.750 -1.262 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.599 -3.453 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.172 -4.191 4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.360 -4.610 6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.799 -3.612 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.842 -2.930 8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.565 -1.712 7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.094 -2.401 6.833 1.00 0.00 H new ATOM 515 N PHE A 34 3.315 0.518 4.073 1.00 0.00 N ATOM 516 CA PHE A 34 2.752 1.347 5.128 1.00 0.00 C ATOM 517 C PHE A 34 1.406 1.937 4.748 1.00 0.00 C ATOM 518 O PHE A 34 0.643 2.361 5.616 1.00 0.00 O ATOM 519 CB PHE A 34 3.722 2.443 5.518 1.00 0.00 C ATOM 520 CG PHE A 34 4.646 2.059 6.639 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.213 2.097 7.955 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.946 1.659 6.376 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.061 1.744 8.987 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.798 1.304 7.405 1.00 0.00 C ATOM 525 CZ PHE A 34 6.354 1.347 8.712 1.00 0.00 C ATOM 0 H PHE A 34 4.057 0.961 3.531 1.00 0.00 H new ATOM 0 HA PHE A 34 2.584 0.698 5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.316 2.717 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.158 3.329 5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.202 2.406 8.176 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.298 1.624 5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.712 1.779 10.009 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.809 0.994 7.187 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.018 1.070 9.518 1.00 0.00 H new ATOM 535 N GLU A 35 1.112 1.975 3.458 1.00 0.00 N ATOM 536 CA GLU A 35 -0.147 2.526 2.983 1.00 0.00 C ATOM 537 C GLU A 35 -1.335 1.666 3.395 1.00 0.00 C ATOM 538 O GLU A 35 -2.298 2.156 3.986 1.00 0.00 O ATOM 539 CB GLU A 35 -0.111 2.626 1.460 1.00 0.00 C ATOM 540 CG GLU A 35 -0.383 4.023 0.930 1.00 0.00 C ATOM 541 CD GLU A 35 -0.077 4.146 -0.547 1.00 0.00 C ATOM 542 OE1 GLU A 35 1.098 4.391 -0.891 1.00 0.00 O ATOM 543 OE2 GLU A 35 -1.011 3.992 -1.361 1.00 0.00 O ATOM 0 H GLU A 35 1.728 1.631 2.721 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.270 3.511 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.867 2.298 1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.848 1.940 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.428 4.279 1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.218 4.743 1.485 1.00 0.00 H new ATOM 550 N SER A 36 -1.281 0.393 3.029 1.00 0.00 N ATOM 551 CA SER A 36 -2.377 -0.533 3.304 1.00 0.00 C ATOM 552 C SER A 36 -1.890 -1.830 3.938 1.00 0.00 C ATOM 553 O SER A 36 -2.635 -2.807 4.001 1.00 0.00 O ATOM 554 CB SER A 36 -3.101 -0.853 1.992 1.00 0.00 C ATOM 555 OG SER A 36 -2.170 -1.144 0.965 1.00 0.00 O ATOM 0 H SER A 36 -0.490 -0.025 2.540 1.00 0.00 H new ATOM 0 HA SER A 36 -3.051 -0.052 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.768 -1.703 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.722 -0.007 1.698 1.00 0.00 H new ATOM 0 HG SER A 36 -1.987 -0.331 0.450 1.00 0.00 H new ATOM 561 N ASN A 37 -0.640 -1.850 4.381 1.00 0.00 N ATOM 562 CA ASN A 37 -0.077 -3.057 4.975 1.00 0.00 C ATOM 563 C ASN A 37 -0.127 -4.181 3.949 1.00 0.00 C ATOM 564 O ASN A 37 -0.212 -5.355 4.297 1.00 0.00 O ATOM 565 CB ASN A 37 -0.845 -3.452 6.239 1.00 0.00 C ATOM 566 CG ASN A 37 0.074 -3.703 7.418 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.249 -4.842 7.853 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.667 -2.637 7.944 1.00 0.00 N ATOM 0 H ASN A 37 -0.002 -1.055 4.342 1.00 0.00 H new ATOM 0 HA ASN A 37 0.957 -2.868 5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.551 -2.662 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.430 -4.350 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.296 -2.744 8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.494 -1.711 7.552 1.00 0.00 H new ATOM 575 N PHE A 38 -0.066 -3.778 2.680 1.00 0.00 N ATOM 576 CA PHE A 38 -0.095 -4.674 1.534 1.00 0.00 C ATOM 577 C PHE A 38 -1.478 -5.278 1.334 1.00 0.00 C ATOM 578 O PHE A 38 -1.625 -6.315 0.696 1.00 0.00 O ATOM 579 CB PHE A 38 0.980 -5.758 1.653 1.00 0.00 C ATOM 580 CG PHE A 38 2.363 -5.231 1.388 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.609 -4.424 0.287 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.413 -5.531 2.239 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.872 -3.928 0.039 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.681 -5.039 1.995 1.00 0.00 C ATOM 585 CZ PHE A 38 4.911 -4.236 0.893 1.00 0.00 C ATOM 0 H PHE A 38 0.007 -2.795 2.419 1.00 0.00 H new ATOM 0 HA PHE A 38 0.131 -4.083 0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.945 -6.191 2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.760 -6.561 0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.800 -4.180 -0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.239 -6.156 3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.047 -3.300 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.492 -5.282 2.665 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.902 -3.851 0.701 1.00 0.00 H new ATOM 595 N ASN A 39 -2.498 -4.600 1.851 1.00 0.00 N ATOM 596 CA ASN A 39 -3.870 -5.064 1.695 1.00 0.00 C ATOM 597 C ASN A 39 -4.409 -4.647 0.334 1.00 0.00 C ATOM 598 O ASN A 39 -4.653 -3.467 0.084 1.00 0.00 O ATOM 599 CB ASN A 39 -4.755 -4.508 2.812 1.00 0.00 C ATOM 600 CG ASN A 39 -6.100 -5.204 2.889 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.509 -5.897 1.958 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.797 -5.022 4.005 1.00 0.00 N ATOM 0 H ASN A 39 -2.400 -3.732 2.378 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.880 -6.152 1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.239 -4.614 3.766 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.910 -3.441 2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.709 -5.465 4.115 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.420 -4.439 4.752 1.00 0.00 H new ATOM 609 N THR A 40 -4.570 -5.624 -0.548 1.00 0.00 N ATOM 610 CA THR A 40 -5.054 -5.368 -1.894 1.00 0.00 C ATOM 611 C THR A 40 -6.533 -5.044 -1.856 1.00 0.00 C ATOM 612 O THR A 40 -7.066 -4.360 -2.731 1.00 0.00 O ATOM 613 CB THR A 40 -4.820 -6.587 -2.805 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.963 -7.450 -2.778 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.591 -7.365 -2.356 1.00 0.00 C ATOM 0 H THR A 40 -4.371 -6.605 -0.352 1.00 0.00 H new ATOM 0 HA THR A 40 -4.501 -4.520 -2.299 1.00 0.00 H new ATOM 0 HB THR A 40 -4.660 -6.226 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.927 -8.016 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.443 -8.222 -3.013 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.715 -6.718 -2.401 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.734 -7.712 -1.333 1.00 0.00 H new ATOM 623 N GLN A 41 -7.181 -5.550 -0.822 1.00 0.00 N ATOM 624 CA GLN A 41 -8.600 -5.346 -0.618 1.00 0.00 C ATOM 625 C GLN A 41 -8.853 -4.174 0.328 1.00 0.00 C ATOM 626 O GLN A 41 -9.988 -3.928 0.739 1.00 0.00 O ATOM 627 CB GLN A 41 -9.206 -6.623 -0.049 1.00 0.00 C ATOM 628 CG GLN A 41 -9.738 -7.574 -1.108 1.00 0.00 C ATOM 629 CD GLN A 41 -10.724 -8.579 -0.546 1.00 0.00 C ATOM 630 OE1 GLN A 41 -10.610 -9.829 -0.984 1.00 0.00 O flip ATOM 631 NE2 GLN A 41 -11.578 -8.238 0.272 1.00 0.00 N flip ATOM 0 H GLN A 41 -6.735 -6.115 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.067 -5.109 -1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.451 -7.140 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.017 -6.358 0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.221 -6.999 -1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.904 -8.106 -1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.630 -7.267 0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.234 -8.926 0.641 1.00 0.00 H new ATOM 640 N ALA A 42 -7.785 -3.465 0.679 1.00 0.00 N ATOM 641 CA ALA A 42 -7.878 -2.329 1.589 1.00 0.00 C ATOM 642 C ALA A 42 -8.697 -1.185 1.003 1.00 0.00 C ATOM 643 O ALA A 42 -8.401 -0.679 -0.079 1.00 0.00 O ATOM 644 CB ALA A 42 -6.489 -1.833 1.955 1.00 0.00 C ATOM 0 H ALA A 42 -6.841 -3.658 0.345 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.392 -2.677 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.573 -0.985 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.933 -2.634 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.963 -1.523 1.052 1.00 0.00 H new ATOM 650 N THR A 43 -9.717 -0.773 1.746 1.00 0.00 N ATOM 651 CA THR A 43 -10.584 0.328 1.346 1.00 0.00 C ATOM 652 C THR A 43 -10.797 1.258 2.538 1.00 0.00 C ATOM 653 O THR A 43 -11.248 0.816 3.596 1.00 0.00 O ATOM 654 CB THR A 43 -11.953 -0.180 0.849 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.756 -0.593 1.961 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.782 -1.344 -0.116 1.00 0.00 C ATOM 0 H THR A 43 -9.966 -1.192 2.642 1.00 0.00 H new ATOM 0 HA THR A 43 -10.101 0.860 0.526 1.00 0.00 H new ATOM 0 HB THR A 43 -12.449 0.637 0.325 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.245 -0.488 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.761 -1.685 -0.452 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.195 -1.021 -0.976 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.267 -2.162 0.388 1.00 0.00 H new ATOM 664 N ASN A 44 -10.462 2.536 2.385 1.00 0.00 N ATOM 665 CA ASN A 44 -10.616 3.490 3.482 1.00 0.00 C ATOM 666 C ASN A 44 -11.203 4.810 2.996 1.00 0.00 C ATOM 667 O ASN A 44 -10.587 5.521 2.203 1.00 0.00 O ATOM 668 CB ASN A 44 -9.267 3.739 4.158 1.00 0.00 C ATOM 669 CG ASN A 44 -9.369 3.731 5.671 1.00 0.00 C ATOM 670 OD1 ASN A 44 -8.941 2.781 6.328 1.00 0.00 O ATOM 671 ND2 ASN A 44 -9.938 4.791 6.231 1.00 0.00 N ATOM 0 H ASN A 44 -10.086 2.933 1.524 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.309 3.057 4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.558 2.975 3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.870 4.699 3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.035 4.842 7.245 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.278 5.555 5.647 1.00 0.00 H new ATOM 678 N ARG A 45 -12.395 5.134 3.487 1.00 0.00 N ATOM 679 CA ARG A 45 -13.071 6.370 3.113 1.00 0.00 C ATOM 680 C ARG A 45 -12.486 7.563 3.864 1.00 0.00 C ATOM 681 O ARG A 45 -12.082 7.443 5.021 1.00 0.00 O ATOM 682 CB ARG A 45 -14.570 6.263 3.393 1.00 0.00 C ATOM 683 CG ARG A 45 -14.895 5.860 4.822 1.00 0.00 C ATOM 684 CD ARG A 45 -15.792 6.884 5.500 1.00 0.00 C ATOM 685 NE ARG A 45 -17.113 6.949 4.881 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.663 8.073 4.431 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.008 9.222 4.531 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.869 8.049 3.881 1.00 0.00 N ATOM 0 H ARG A 45 -12.914 4.555 4.147 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.918 6.526 2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.040 7.223 3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.007 5.534 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.386 4.887 4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.971 5.752 5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.898 6.631 6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.321 7.866 5.453 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.644 6.083 4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.080 9.245 4.954 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.432 10.083 4.185 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.376 7.168 3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.290 8.912 3.536 1.00 0.00 H new ATOM 702 N ASN A 46 -12.445 8.712 3.197 1.00 0.00 N ATOM 703 CA ASN A 46 -11.910 9.929 3.797 1.00 0.00 C ATOM 704 C ASN A 46 -13.023 10.926 4.093 1.00 0.00 C ATOM 705 O ASN A 46 -14.191 10.681 3.789 1.00 0.00 O ATOM 706 CB ASN A 46 -10.872 10.567 2.873 1.00 0.00 C ATOM 707 CG ASN A 46 -9.977 9.539 2.210 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.395 8.684 2.876 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.865 9.617 0.889 1.00 0.00 N ATOM 0 H ASN A 46 -12.777 8.826 2.239 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.431 9.657 4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.382 11.149 2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.259 11.263 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.278 8.951 0.387 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.366 10.343 0.377 1.00 0.00 H new ATOM 716 N THR A 47 -12.649 12.051 4.691 1.00 0.00 N ATOM 717 CA THR A 47 -13.609 13.093 5.036 1.00 0.00 C ATOM 718 C THR A 47 -13.874 14.017 3.853 1.00 0.00 C ATOM 719 O THR A 47 -14.940 14.623 3.753 1.00 0.00 O ATOM 720 CB THR A 47 -13.117 13.936 6.228 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.879 14.577 5.899 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.931 13.068 7.464 1.00 0.00 C ATOM 0 H THR A 47 -11.685 12.265 4.948 1.00 0.00 H new ATOM 0 HA THR A 47 -14.535 12.588 5.311 1.00 0.00 H new ATOM 0 HB THR A 47 -13.871 14.693 6.444 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.575 15.112 6.662 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.583 13.685 8.293 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.881 12.605 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.195 12.291 7.256 1.00 0.00 H new ATOM 730 N ASP A 48 -12.896 14.121 2.956 1.00 0.00 N ATOM 731 CA ASP A 48 -13.027 14.974 1.779 1.00 0.00 C ATOM 732 C ASP A 48 -14.047 14.399 0.798 1.00 0.00 C ATOM 733 O ASP A 48 -14.479 15.080 -0.132 1.00 0.00 O ATOM 734 CB ASP A 48 -11.674 15.142 1.089 1.00 0.00 C ATOM 735 CG ASP A 48 -10.973 13.818 0.853 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.644 12.768 0.933 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.753 13.832 0.587 1.00 0.00 O ATOM 0 H ASP A 48 -12.006 13.626 3.022 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.380 15.951 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.817 15.649 0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.037 15.783 1.698 1.00 0.00 H new ATOM 742 N GLY A 49 -14.429 13.145 1.018 1.00 0.00 N ATOM 743 CA GLY A 49 -15.400 12.503 0.150 1.00 0.00 C ATOM 744 C GLY A 49 -14.802 11.373 -0.666 1.00 0.00 C ATOM 745 O GLY A 49 -15.505 10.435 -1.043 1.00 0.00 O ATOM 0 H GLY A 49 -14.084 12.562 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.220 12.114 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.825 13.246 -0.524 1.00 0.00 H new ATOM 749 N SER A 50 -13.505 11.460 -0.943 1.00 0.00 N ATOM 750 CA SER A 50 -12.824 10.431 -1.722 1.00 0.00 C ATOM 751 C SER A 50 -12.577 9.183 -0.883 1.00 0.00 C ATOM 752 O SER A 50 -13.050 9.079 0.249 1.00 0.00 O ATOM 753 CB SER A 50 -11.500 10.960 -2.278 1.00 0.00 C ATOM 754 OG SER A 50 -10.944 11.948 -1.430 1.00 0.00 O ATOM 0 H SER A 50 -12.906 12.229 -0.641 1.00 0.00 H new ATOM 0 HA SER A 50 -13.472 10.163 -2.556 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.795 10.136 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.662 11.379 -3.271 1.00 0.00 H new ATOM 0 HG SER A 50 -11.227 11.783 -0.506 1.00 0.00 H new ATOM 760 N THR A 51 -11.836 8.237 -1.449 1.00 0.00 N ATOM 761 CA THR A 51 -11.524 6.988 -0.765 1.00 0.00 C ATOM 762 C THR A 51 -10.309 6.315 -1.397 1.00 0.00 C ATOM 763 O THR A 51 -9.986 6.570 -2.557 1.00 0.00 O ATOM 764 CB THR A 51 -12.719 6.015 -0.812 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.911 6.678 -0.376 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.467 4.795 0.059 1.00 0.00 C ATOM 0 H THR A 51 -11.438 8.313 -2.385 1.00 0.00 H new ATOM 0 HA THR A 51 -11.305 7.233 0.274 1.00 0.00 H new ATOM 0 HB THR A 51 -12.842 5.684 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.673 7.435 0.198 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.326 4.127 0.006 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.578 4.272 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.315 5.110 1.091 1.00 0.00 H new ATOM 774 N ASP A 52 -9.642 5.449 -0.638 1.00 0.00 N ATOM 775 CA ASP A 52 -8.473 4.733 -1.134 1.00 0.00 C ATOM 776 C ASP A 52 -8.797 3.259 -1.302 1.00 0.00 C ATOM 777 O ASP A 52 -8.789 2.497 -0.335 1.00 0.00 O ATOM 778 CB ASP A 52 -7.297 4.908 -0.173 1.00 0.00 C ATOM 779 CG ASP A 52 -6.835 6.349 -0.080 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.598 6.967 -1.139 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.713 6.861 1.053 1.00 0.00 O ATOM 0 H ASP A 52 -9.893 5.227 0.325 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.195 5.146 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.586 4.557 0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.466 4.284 -0.502 1.00 0.00 H new ATOM 786 N TYR A 53 -9.099 2.866 -2.532 1.00 0.00 N ATOM 787 CA TYR A 53 -9.444 1.484 -2.814 1.00 0.00 C ATOM 788 C TYR A 53 -8.281 0.714 -3.431 1.00 0.00 C ATOM 789 O TYR A 53 -8.248 0.484 -4.637 1.00 0.00 O ATOM 790 CB TYR A 53 -10.653 1.402 -3.746 1.00 0.00 C ATOM 791 CG TYR A 53 -11.921 2.004 -3.184 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.616 1.374 -2.160 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.432 3.193 -3.688 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.783 1.914 -1.652 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.599 3.737 -3.188 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.271 3.094 -2.170 1.00 0.00 C ATOM 797 OH TYR A 53 -15.433 3.633 -1.669 1.00 0.00 O ATOM 0 H TYR A 53 -9.112 3.482 -3.345 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.688 1.025 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.410 1.907 -4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.839 0.356 -3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.239 0.447 -1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.908 3.701 -4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.310 1.413 -0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.983 4.662 -3.593 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.638 4.466 -2.143 1.00 0.00 H new ATOM 807 N GLY A 54 -7.324 0.326 -2.605 1.00 0.00 N ATOM 808 CA GLY A 54 -6.198 -0.428 -3.129 1.00 0.00 C ATOM 809 C GLY A 54 -4.970 -0.452 -2.249 1.00 0.00 C ATOM 810 O GLY A 54 -4.849 0.315 -1.294 1.00 0.00 O ATOM 0 H GLY A 54 -7.301 0.512 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.519 -1.455 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.922 -0.011 -4.098 1.00 0.00 H new ATOM 814 N ILE A 55 -4.036 -1.331 -2.618 1.00 0.00 N ATOM 815 CA ILE A 55 -2.773 -1.460 -1.911 1.00 0.00 C ATOM 816 C ILE A 55 -1.956 -0.201 -2.154 1.00 0.00 C ATOM 817 O ILE A 55 -1.060 0.144 -1.382 1.00 0.00 O ATOM 818 CB ILE A 55 -1.972 -2.686 -2.404 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.771 -2.943 -1.494 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.516 -2.470 -3.840 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.011 -4.203 -1.844 1.00 0.00 C ATOM 0 H ILE A 55 -4.138 -1.966 -3.410 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.978 -1.596 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.619 -3.562 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.093 -2.091 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.114 -3.010 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.952 -3.340 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.386 -2.330 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.882 -1.585 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.828 -4.324 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.675 -5.063 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.362 -4.131 -2.866 1.00 0.00 H new ATOM 833 N LEU A 56 -2.312 0.495 -3.232 1.00 0.00 N ATOM 834 CA LEU A 56 -1.667 1.742 -3.603 1.00 0.00 C ATOM 835 C LEU A 56 -2.667 2.883 -3.448 1.00 0.00 C ATOM 836 O LEU A 56 -2.369 4.034 -3.769 1.00 0.00 O ATOM 837 CB LEU A 56 -1.142 1.688 -5.047 1.00 0.00 C ATOM 838 CG LEU A 56 0.383 1.810 -5.208 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.952 2.841 -4.242 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.047 0.458 -4.994 1.00 0.00 C ATOM 0 H LEU A 56 -3.055 0.207 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.812 1.906 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.462 0.747 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.614 2.489 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 56 0.592 2.146 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.032 2.908 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.501 3.813 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.731 2.540 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.126 0.560 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.823 0.098 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.668 -0.254 -5.728 1.00 0.00 H new ATOM 852 N GLN A 57 -3.856 2.543 -2.936 1.00 0.00 N ATOM 853 CA GLN A 57 -4.924 3.514 -2.703 1.00 0.00 C ATOM 854 C GLN A 57 -5.529 4.035 -4.004 1.00 0.00 C ATOM 855 O GLN A 57 -5.277 5.177 -4.390 1.00 0.00 O ATOM 856 CB GLN A 57 -4.403 4.685 -1.865 1.00 0.00 C ATOM 857 CG GLN A 57 -3.917 4.276 -0.484 1.00 0.00 C ATOM 858 CD GLN A 57 -3.538 5.466 0.376 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.063 5.644 1.475 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.622 6.288 -0.123 1.00 0.00 N ATOM 0 H GLN A 57 -4.101 1.588 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.714 2.996 -2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.586 5.169 -2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.196 5.425 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.698 3.704 0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.055 3.617 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.214 6.101 -1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.327 7.106 0.410 1.00 0.00 H new ATOM 869 N ILE A 58 -6.336 3.212 -4.684 1.00 0.00 N ATOM 870 CA ILE A 58 -6.954 3.641 -5.924 1.00 0.00 C ATOM 871 C ILE A 58 -8.188 4.469 -5.621 1.00 0.00 C ATOM 872 O ILE A 58 -9.251 3.928 -5.319 1.00 0.00 O ATOM 873 CB ILE A 58 -7.340 2.444 -6.814 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.234 1.382 -6.794 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.613 2.908 -8.237 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.852 1.933 -7.084 1.00 0.00 C ATOM 0 H ILE A 58 -6.568 2.262 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.226 4.242 -6.468 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.251 1.996 -6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.225 0.899 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.469 0.612 -7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.884 2.051 -8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.432 3.627 -8.234 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.718 3.379 -8.644 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.123 1.123 -7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.843 2.391 -8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.595 2.682 -6.335 1.00 0.00 H new ATOM 888 N ASN A 59 -8.043 5.785 -5.700 1.00 0.00 N ATOM 889 CA ASN A 59 -9.150 6.682 -5.430 1.00 0.00 C ATOM 890 C ASN A 59 -10.201 6.565 -6.518 1.00 0.00 C ATOM 891 O ASN A 59 -10.090 7.191 -7.571 1.00 0.00 O ATOM 892 CB ASN A 59 -8.648 8.122 -5.333 1.00 0.00 C ATOM 893 CG ASN A 59 -9.735 9.093 -4.911 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.876 8.700 -4.671 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.383 10.370 -4.819 1.00 0.00 N ATOM 0 H ASN A 59 -7.170 6.251 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.602 6.402 -4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.827 8.169 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.247 8.429 -6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.071 11.070 -4.540 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.425 10.651 -5.027 1.00 0.00 H new ATOM 902 N SER A 60 -11.225 5.765 -6.258 1.00 0.00 N ATOM 903 CA SER A 60 -12.303 5.572 -7.222 1.00 0.00 C ATOM 904 C SER A 60 -13.077 6.869 -7.457 1.00 0.00 C ATOM 905 O SER A 60 -13.865 6.967 -8.397 1.00 0.00 O ATOM 906 CB SER A 60 -13.260 4.481 -6.737 1.00 0.00 C ATOM 907 OG SER A 60 -14.302 5.029 -5.949 1.00 0.00 O ATOM 0 H SER A 60 -11.334 5.240 -5.391 1.00 0.00 H new ATOM 0 HA SER A 60 -11.853 5.265 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.685 3.958 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.709 3.743 -6.154 1.00 0.00 H new ATOM 0 HG SER A 60 -14.703 4.323 -5.400 1.00 0.00 H new ATOM 913 N ARG A 61 -12.851 7.865 -6.604 1.00 0.00 N ATOM 914 CA ARG A 61 -13.531 9.149 -6.736 1.00 0.00 C ATOM 915 C ARG A 61 -12.621 10.169 -7.414 1.00 0.00 C ATOM 916 O ARG A 61 -12.805 11.377 -7.267 1.00 0.00 O ATOM 917 CB ARG A 61 -13.966 9.664 -5.363 1.00 0.00 C ATOM 918 CG ARG A 61 -15.196 10.555 -5.409 1.00 0.00 C ATOM 919 CD ARG A 61 -14.914 11.926 -4.815 1.00 0.00 C ATOM 920 NE ARG A 61 -15.779 12.957 -5.382 1.00 0.00 N ATOM 921 CZ ARG A 61 -15.334 14.120 -5.847 1.00 0.00 C ATOM 922 NH1 ARG A 61 -14.037 14.400 -5.814 1.00 0.00 N ATOM 923 NH2 ARG A 61 -16.185 15.006 -6.347 1.00 0.00 N ATOM 0 H ARG A 61 -12.205 7.807 -5.817 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.417 9.007 -7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.168 8.813 -4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.142 10.219 -4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.528 10.666 -6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.011 10.081 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.055 11.889 -3.735 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.871 12.190 -4.992 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.782 12.774 -5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.378 13.722 -5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.699 15.293 -6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.183 14.795 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.842 15.898 -6.703 1.00 0.00 H new ATOM 937 N TRP A 62 -11.638 9.666 -8.151 1.00 0.00 N ATOM 938 CA TRP A 62 -10.692 10.532 -8.850 1.00 0.00 C ATOM 939 C TRP A 62 -9.958 9.812 -9.986 1.00 0.00 C ATOM 940 O TRP A 62 -9.308 10.458 -10.808 1.00 0.00 O ATOM 941 CB TRP A 62 -9.672 11.099 -7.861 1.00 0.00 C ATOM 942 CG TRP A 62 -9.604 12.596 -7.871 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.445 13.459 -7.230 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.641 13.407 -8.555 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.065 14.757 -7.474 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.960 14.750 -8.285 1.00 0.00 C ATOM 947 CE3 TRP A 62 -7.541 13.126 -9.370 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.218 15.810 -8.801 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -6.806 14.179 -9.881 1.00 0.00 C ATOM 950 CH2 TRP A 62 -7.146 15.506 -9.595 1.00 0.00 C ATOM 0 H TRP A 62 -11.474 8.668 -8.281 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.273 11.339 -9.297 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.924 10.761 -6.856 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.687 10.696 -8.095 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.286 13.165 -6.620 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.529 15.589 -7.111 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.270 12.105 -9.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.479 16.835 -8.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.954 13.974 -10.512 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -6.550 16.306 -10.009 1.00 0.00 H new ATOM 961 N TRP A 63 -10.044 8.483 -10.031 1.00 0.00 N ATOM 962 CA TRP A 63 -9.360 7.722 -11.070 1.00 0.00 C ATOM 963 C TRP A 63 -10.292 6.734 -11.759 1.00 0.00 C ATOM 964 O TRP A 63 -10.638 6.902 -12.926 1.00 0.00 O ATOM 965 CB TRP A 63 -8.164 6.972 -10.474 1.00 0.00 C ATOM 966 CG TRP A 63 -7.077 7.886 -10.002 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.486 7.920 -8.771 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.463 8.914 -10.770 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.531 8.912 -8.738 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.502 9.539 -9.959 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.641 9.360 -12.073 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.720 10.596 -10.419 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.876 10.402 -12.532 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.922 11.017 -11.709 1.00 0.00 C ATOM 0 H TRP A 63 -10.575 7.918 -9.368 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.013 8.434 -11.819 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.505 6.361 -9.639 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.759 6.291 -11.223 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.731 7.267 -7.947 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.942 9.143 -7.938 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.372 8.893 -12.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.983 11.066 -9.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.011 10.754 -13.544 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.336 11.837 -12.097 1.00 0.00 H new ATOM 985 N CYS A 64 -10.656 5.684 -11.042 1.00 0.00 N ATOM 986 CA CYS A 64 -11.512 4.648 -11.605 1.00 0.00 C ATOM 987 C CYS A 64 -12.988 4.955 -11.411 1.00 0.00 C ATOM 988 O CYS A 64 -13.382 5.604 -10.444 1.00 0.00 O ATOM 989 CB CYS A 64 -11.198 3.288 -10.976 1.00 0.00 C ATOM 990 SG CYS A 64 -12.222 2.893 -9.516 1.00 0.00 S ATOM 0 H CYS A 64 -10.375 5.525 -10.074 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.306 4.619 -12.675 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.338 2.510 -11.727 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.147 3.266 -10.687 1.00 0.00 H new ATOM 995 N ASN A 65 -13.797 4.455 -12.336 1.00 0.00 N ATOM 996 CA ASN A 65 -15.242 4.643 -12.275 1.00 0.00 C ATOM 997 C ASN A 65 -15.883 3.500 -11.494 1.00 0.00 C ATOM 998 O ASN A 65 -15.970 2.374 -11.985 1.00 0.00 O ATOM 999 CB ASN A 65 -15.836 4.714 -13.683 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.333 4.949 -13.668 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.100 4.180 -14.247 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.758 6.018 -13.004 1.00 0.00 N ATOM 0 H ASN A 65 -13.477 3.915 -13.140 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.448 5.584 -11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.351 5.516 -14.239 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.622 3.785 -14.212 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.755 6.228 -12.960 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.087 6.629 -12.538 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.316 3.792 -10.273 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.932 2.780 -9.422 1.00 0.00 C ATOM 1011 C ASP A 66 -18.454 2.888 -9.435 1.00 0.00 C ATOM 1012 O ASP A 66 -19.152 1.954 -9.040 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.409 2.903 -7.990 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.923 4.146 -7.290 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.116 5.175 -7.970 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.131 4.091 -6.059 1.00 0.00 O ATOM 0 H ASP A 66 -16.252 4.718 -9.851 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.662 1.802 -9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.704 2.021 -7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.319 2.922 -8.005 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.967 4.027 -9.895 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.405 4.222 -9.954 1.00 0.00 C ATOM 1023 C GLY A 67 -21.045 4.354 -8.584 1.00 0.00 C ATOM 1024 O GLY A 67 -22.218 4.711 -8.476 1.00 0.00 O ATOM 0 H GLY A 67 -18.413 4.817 -10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.621 5.118 -10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.858 3.382 -10.481 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.280 4.063 -7.534 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.790 4.150 -6.171 1.00 0.00 C ATOM 1030 C ARG A 68 -20.643 5.565 -5.620 1.00 0.00 C ATOM 1031 O ARG A 68 -21.065 5.852 -4.499 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.056 3.159 -5.265 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.369 1.705 -5.576 1.00 0.00 C ATOM 1034 CD ARG A 68 -19.553 0.761 -4.708 1.00 0.00 C ATOM 1035 NE ARG A 68 -18.125 0.843 -5.006 1.00 0.00 N ATOM 1036 CZ ARG A 68 -17.486 -0.014 -5.796 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -18.145 -1.014 -6.366 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -16.186 0.128 -6.016 1.00 0.00 N ATOM 0 H ARG A 68 -19.307 3.766 -7.602 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.850 3.898 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.982 3.319 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.319 3.365 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.431 1.519 -5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.163 1.504 -6.627 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.719 0.999 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.897 -0.262 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.588 1.601 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -19.145 -1.127 -6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.652 -1.670 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.676 0.895 -5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.696 -0.530 -6.622 1.00 0.00 H new ATOM 1052 N THR A 69 -20.042 6.446 -6.413 1.00 0.00 N ATOM 1053 CA THR A 69 -19.839 7.829 -6.003 1.00 0.00 C ATOM 1054 C THR A 69 -20.156 8.795 -7.144 1.00 0.00 C ATOM 1055 O THR A 69 -19.483 8.789 -8.174 1.00 0.00 O ATOM 1056 CB THR A 69 -18.394 8.070 -5.530 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.857 6.868 -4.964 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.341 9.188 -4.500 1.00 0.00 C ATOM 0 H THR A 69 -19.687 6.226 -7.344 1.00 0.00 H new ATOM 0 HA THR A 69 -20.521 8.014 -5.173 1.00 0.00 H new ATOM 0 HB THR A 69 -17.797 8.364 -6.393 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.937 7.029 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.310 9.340 -4.181 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.723 10.108 -4.942 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.952 8.918 -3.638 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.187 9.641 -6.974 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.586 10.614 -7.996 1.00 0.00 C ATOM 1068 C PRO A 70 -20.553 11.722 -8.172 1.00 0.00 C ATOM 1069 O PRO A 70 -20.417 12.600 -7.319 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.898 11.186 -7.455 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.818 10.990 -5.981 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.044 9.718 -5.774 1.00 0.00 C ATOM 0 HA PRO A 70 -21.683 10.154 -8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -23.004 12.241 -7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.759 10.668 -7.877 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.319 11.833 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.813 10.917 -5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.452 9.752 -4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.704 8.854 -5.695 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.827 11.675 -9.285 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.815 12.680 -9.553 1.00 0.00 C ATOM 1082 C GLY A 71 -17.486 12.071 -9.956 1.00 0.00 C ATOM 1083 O GLY A 71 -16.468 12.763 -10.001 1.00 0.00 O ATOM 0 H GLY A 71 -19.922 10.959 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.164 13.340 -10.347 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.675 13.296 -8.665 1.00 0.00 H new ATOM 1087 N SER A 72 -17.495 10.775 -10.250 1.00 0.00 N ATOM 1088 CA SER A 72 -16.282 10.072 -10.653 1.00 0.00 C ATOM 1089 C SER A 72 -15.709 10.669 -11.933 1.00 0.00 C ATOM 1090 O SER A 72 -16.403 10.780 -12.943 1.00 0.00 O ATOM 1091 CB SER A 72 -16.574 8.584 -10.854 1.00 0.00 C ATOM 1092 OG SER A 72 -17.155 8.015 -9.694 1.00 0.00 O ATOM 0 H SER A 72 -18.330 10.190 -10.217 1.00 0.00 H new ATOM 0 HA SER A 72 -15.544 10.185 -9.859 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.246 8.454 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.650 8.059 -11.096 1.00 0.00 H new ATOM 0 HG SER A 72 -18.028 8.429 -9.528 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.438 11.049 -11.882 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.766 11.635 -13.035 1.00 0.00 C ATOM 1100 C ARG A 73 -13.437 10.567 -14.074 1.00 0.00 C ATOM 1101 O ARG A 73 -13.614 10.780 -15.274 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.487 12.350 -12.599 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.719 13.432 -11.558 1.00 0.00 C ATOM 1104 CD ARG A 73 -13.173 14.735 -12.197 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.214 15.221 -13.186 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.345 16.375 -13.835 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -13.389 17.157 -13.600 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -11.429 16.747 -14.719 1.00 0.00 N ATOM 0 H ARG A 73 -13.851 10.961 -11.052 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.442 12.360 -13.487 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.789 11.615 -12.198 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.013 12.795 -13.474 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.470 13.095 -10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.800 13.602 -10.998 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.142 14.587 -12.673 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.310 15.490 -11.423 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.399 14.643 -13.390 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.095 16.875 -12.920 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.487 18.041 -14.099 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.624 16.148 -14.902 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.530 17.632 -15.216 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.948 9.421 -13.601 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.583 8.315 -14.483 1.00 0.00 C ATOM 1124 C ASN A 74 -11.389 8.711 -15.340 1.00 0.00 C ATOM 1125 O ASN A 74 -11.235 8.248 -16.471 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.764 7.916 -15.372 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.741 6.445 -15.737 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.245 5.613 -14.977 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.280 6.116 -16.904 1.00 0.00 N ATOM 0 H ASN A 74 -12.796 9.235 -12.610 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.314 7.455 -13.869 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.697 8.145 -14.857 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.748 8.514 -16.283 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.294 5.141 -17.202 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.680 6.838 -17.503 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.536 9.555 -14.770 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.333 10.015 -15.428 1.00 0.00 C ATOM 1138 C LEU A 75 -8.540 8.850 -15.951 1.00 0.00 C ATOM 1139 O LEU A 75 -8.103 8.805 -17.101 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.496 10.734 -14.394 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.702 12.245 -14.328 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.936 12.847 -13.160 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.289 12.903 -15.636 1.00 0.00 C ATOM 0 H LEU A 75 -10.666 9.937 -13.833 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.596 10.666 -16.262 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.715 10.310 -13.414 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.444 10.535 -14.599 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.764 12.434 -14.170 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.099 13.924 -13.135 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.287 12.405 -12.228 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.872 12.644 -13.279 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.444 13.980 -15.567 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.236 12.700 -15.829 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.891 12.501 -16.451 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.377 7.920 -15.054 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.658 6.708 -15.299 1.00 0.00 C ATOM 1157 C CYS A 76 -8.503 5.769 -16.148 1.00 0.00 C ATOM 1158 O CYS A 76 -7.981 4.961 -16.917 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.357 6.103 -13.949 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.686 5.412 -13.763 1.00 0.00 S ATOM 0 H CYS A 76 -8.751 7.988 -14.108 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.733 6.892 -15.846 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.503 6.867 -13.186 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.083 5.314 -13.753 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.820 5.892 -15.990 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.765 5.062 -16.726 1.00 0.00 C ATOM 1167 C ASN A 77 -10.390 3.600 -16.559 1.00 0.00 C ATOM 1168 O ASN A 77 -10.175 2.881 -17.535 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.773 5.442 -18.209 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.069 5.061 -18.896 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.567 3.947 -18.735 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.624 5.987 -19.669 1.00 0.00 N ATOM 0 H ASN A 77 -10.255 6.562 -15.356 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.767 5.225 -16.328 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.615 6.516 -18.307 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.940 4.950 -18.712 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.497 5.787 -20.157 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.177 6.898 -19.775 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.289 3.177 -15.306 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.909 1.811 -15.000 1.00 0.00 C ATOM 1181 C ILE A 78 -10.960 1.097 -14.156 1.00 0.00 C ATOM 1182 O ILE A 78 -11.695 1.729 -13.399 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.556 1.766 -14.260 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.767 1.684 -12.739 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.736 2.986 -14.633 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.703 2.388 -11.921 1.00 0.00 C ATOM 0 H ILE A 78 -10.465 3.761 -14.489 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.823 1.294 -15.956 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.013 0.871 -14.562 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.739 2.114 -12.495 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.799 0.635 -12.445 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.780 2.955 -14.111 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.562 2.992 -15.709 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.276 3.889 -14.348 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.929 2.281 -10.860 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.730 1.945 -12.131 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.684 3.446 -12.183 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.022 -0.240 -14.251 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.952 -1.037 -13.467 1.00 0.00 C ATOM 1200 C PRO A 79 -11.343 -1.366 -12.110 1.00 0.00 C ATOM 1201 O PRO A 79 -10.410 -2.165 -12.021 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.112 -2.295 -14.315 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.795 -2.461 -15.003 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.169 -1.087 -15.106 1.00 0.00 C ATOM 0 HA PRO A 79 -12.899 -0.538 -13.260 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.348 -3.161 -13.697 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.923 -2.187 -15.035 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.150 -3.137 -14.442 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.930 -2.898 -15.993 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.136 -1.092 -14.758 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.157 -0.730 -16.136 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.848 -0.734 -11.057 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.316 -0.960 -9.721 1.00 0.00 C ATOM 1214 C CYS A 80 -11.438 -2.423 -9.306 1.00 0.00 C ATOM 1215 O CYS A 80 -10.470 -3.013 -8.838 1.00 0.00 O ATOM 1216 CB CYS A 80 -11.993 -0.040 -8.706 1.00 0.00 C ATOM 1217 SG CYS A 80 -11.121 1.547 -8.468 1.00 0.00 S ATOM 0 H CYS A 80 -12.618 -0.067 -11.102 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.253 -0.719 -9.743 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.013 0.160 -9.033 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.061 -0.556 -7.748 1.00 0.00 H new ATOM 1222 N SER A 81 -12.623 -3.004 -9.463 1.00 0.00 N ATOM 1223 CA SER A 81 -12.841 -4.400 -9.088 1.00 0.00 C ATOM 1224 C SER A 81 -11.799 -5.324 -9.723 1.00 0.00 C ATOM 1225 O SER A 81 -11.444 -6.355 -9.150 1.00 0.00 O ATOM 1226 CB SER A 81 -14.246 -4.842 -9.500 1.00 0.00 C ATOM 1227 OG SER A 81 -14.358 -4.938 -10.909 1.00 0.00 O ATOM 0 H SER A 81 -13.444 -2.535 -9.845 1.00 0.00 H new ATOM 0 HA SER A 81 -12.739 -4.472 -8.005 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.474 -5.807 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.980 -4.131 -9.121 1.00 0.00 H new ATOM 0 HG SER A 81 -15.265 -5.224 -11.146 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.317 -4.956 -10.909 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.322 -5.762 -11.618 1.00 0.00 C ATOM 1235 C ALA A 82 -8.957 -5.696 -10.936 1.00 0.00 C ATOM 1236 O ALA A 82 -8.036 -6.430 -11.294 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.211 -5.305 -13.065 1.00 0.00 C ATOM 0 H ALA A 82 -11.598 -4.107 -11.399 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.655 -6.800 -11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.468 -5.912 -13.582 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.177 -5.417 -13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.908 -4.258 -13.094 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.841 -4.815 -9.952 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.594 -4.648 -9.212 1.00 0.00 C ATOM 1245 C LEU A 83 -7.723 -5.201 -7.798 1.00 0.00 C ATOM 1246 O LEU A 83 -6.728 -5.355 -7.088 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.186 -3.169 -9.164 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.771 -2.362 -8.001 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.789 -2.297 -6.843 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.142 -0.961 -8.464 1.00 0.00 C ATOM 0 H LEU A 83 -9.597 -4.202 -9.646 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.818 -5.208 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.099 -3.111 -9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.487 -2.696 -10.099 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.674 -2.865 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.225 -1.719 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.569 -3.306 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.867 -1.819 -7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.556 -0.399 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.252 -0.453 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.883 -1.025 -9.260 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.952 -5.490 -7.392 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.213 -6.018 -6.060 1.00 0.00 C ATOM 1264 C LEU A 84 -9.490 -7.515 -6.112 1.00 0.00 C ATOM 1265 O LEU A 84 -10.349 -8.028 -5.393 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.387 -5.273 -5.430 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.529 -3.825 -5.897 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.977 -3.371 -5.815 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.630 -2.910 -5.078 1.00 0.00 C ATOM 0 H LEU A 84 -9.785 -5.367 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.326 -5.866 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.308 -5.809 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.271 -5.284 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.216 -3.770 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.054 -2.337 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.594 -4.007 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.323 -3.443 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.744 -1.883 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.910 -2.972 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.592 -3.219 -5.196 1.00 0.00 H new ATOM 1281 N SER A 85 -8.739 -8.209 -6.957 1.00 0.00 N ATOM 1282 CA SER A 85 -8.877 -9.653 -7.099 1.00 0.00 C ATOM 1283 C SER A 85 -7.514 -10.314 -7.012 1.00 0.00 C ATOM 1284 O SER A 85 -7.229 -11.300 -7.693 1.00 0.00 O ATOM 1285 CB SER A 85 -9.569 -10.012 -8.416 1.00 0.00 C ATOM 1286 OG SER A 85 -10.659 -9.144 -8.672 1.00 0.00 O ATOM 0 H SER A 85 -8.026 -7.794 -7.556 1.00 0.00 H new ATOM 0 HA SER A 85 -9.501 -10.023 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.852 -9.952 -9.235 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.922 -11.042 -8.376 1.00 0.00 H new ATOM 0 HG SER A 85 -11.083 -9.393 -9.520 1.00 0.00 H new ATOM 1292 N SER A 86 -6.684 -9.722 -6.174 1.00 0.00 N ATOM 1293 CA SER A 86 -5.316 -10.176 -5.949 1.00 0.00 C ATOM 1294 C SER A 86 -4.477 -9.795 -7.149 1.00 0.00 C ATOM 1295 O SER A 86 -3.423 -10.374 -7.413 1.00 0.00 O ATOM 1296 CB SER A 86 -5.263 -11.689 -5.715 1.00 0.00 C ATOM 1297 OG SER A 86 -4.087 -12.058 -5.016 1.00 0.00 O ATOM 0 H SER A 86 -6.939 -8.903 -5.622 1.00 0.00 H new ATOM 0 HA SER A 86 -4.923 -9.697 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.140 -12.003 -5.149 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.299 -12.209 -6.672 1.00 0.00 H new ATOM 0 HG SER A 86 -3.306 -11.668 -5.461 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.997 -8.830 -7.890 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.372 -8.348 -9.102 1.00 0.00 C ATOM 1305 C ASP A 87 -4.028 -6.869 -8.997 1.00 0.00 C ATOM 1306 O ASP A 87 -4.916 -6.018 -9.001 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.351 -8.571 -10.242 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.708 -8.434 -11.608 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.728 -9.158 -11.878 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.185 -7.600 -12.407 1.00 0.00 O ATOM 0 H ASP A 87 -5.872 -8.358 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.440 -8.887 -9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.788 -9.565 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.168 -7.855 -10.157 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.738 -6.560 -8.924 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.302 -5.174 -8.843 1.00 0.00 C ATOM 1317 C ILE A 88 -1.958 -4.646 -10.224 1.00 0.00 C ATOM 1318 O ILE A 88 -1.113 -3.765 -10.371 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.084 -4.991 -7.918 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.222 -6.255 -7.897 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.539 -4.622 -6.516 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.263 -5.972 -7.949 1.00 0.00 C ATOM 0 H ILE A 88 -1.983 -7.245 -8.919 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.134 -4.611 -8.420 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.473 -4.177 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.445 -6.822 -6.993 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.494 -6.885 -8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.668 -4.496 -5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.103 -3.690 -6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.172 -5.415 -6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.814 -6.913 -7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.498 -5.431 -8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.549 -5.368 -7.088 1.00 0.00 H new ATOM 1334 N THR A 89 -2.636 -5.173 -11.235 1.00 0.00 N ATOM 1335 CA THR A 89 -2.416 -4.734 -12.601 1.00 0.00 C ATOM 1336 C THR A 89 -3.168 -3.437 -12.839 1.00 0.00 C ATOM 1337 O THR A 89 -2.601 -2.455 -13.318 1.00 0.00 O ATOM 1338 CB THR A 89 -2.880 -5.789 -13.623 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.450 -7.092 -13.211 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.327 -5.481 -15.007 1.00 0.00 C ATOM 0 H THR A 89 -3.341 -5.903 -11.132 1.00 0.00 H new ATOM 0 HA THR A 89 -1.345 -4.584 -12.737 1.00 0.00 H new ATOM 0 HB THR A 89 -3.969 -5.764 -13.670 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.750 -7.757 -13.865 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.668 -6.239 -15.712 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.679 -4.501 -15.330 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.238 -5.482 -14.972 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.450 -3.442 -12.495 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.287 -2.273 -12.659 1.00 0.00 C ATOM 1350 C ALA A 90 -4.846 -1.151 -11.721 1.00 0.00 C ATOM 1351 O ALA A 90 -4.791 0.015 -12.114 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.746 -2.627 -12.424 1.00 0.00 C ATOM 0 H ALA A 90 -4.929 -4.250 -12.099 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.179 -1.917 -13.684 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.362 -1.736 -12.551 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.056 -3.388 -13.141 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.869 -3.011 -11.411 1.00 0.00 H new ATOM 1358 N SER A 91 -4.523 -1.516 -10.481 1.00 0.00 N ATOM 1359 CA SER A 91 -4.075 -0.546 -9.484 1.00 0.00 C ATOM 1360 C SER A 91 -2.750 0.078 -9.885 1.00 0.00 C ATOM 1361 O SER A 91 -2.544 1.282 -9.721 1.00 0.00 O ATOM 1362 CB SER A 91 -3.937 -1.212 -8.114 1.00 0.00 C ATOM 1363 OG SER A 91 -3.976 -2.624 -8.226 1.00 0.00 O ATOM 0 H SER A 91 -4.563 -2.478 -10.143 1.00 0.00 H new ATOM 0 HA SER A 91 -4.826 0.242 -9.426 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.999 -0.907 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.740 -0.874 -7.459 1.00 0.00 H new ATOM 0 HG SER A 91 -4.029 -3.022 -7.332 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.852 -0.740 -10.414 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.561 -0.228 -10.828 1.00 0.00 C ATOM 1371 C VAL A 92 -0.694 0.608 -12.082 1.00 0.00 C ATOM 1372 O VAL A 92 -0.224 1.731 -12.113 1.00 0.00 O ATOM 1373 CB VAL A 92 0.499 -1.316 -11.073 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.656 -0.735 -11.884 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.999 -1.882 -9.751 1.00 0.00 C ATOM 0 H VAL A 92 -1.991 -1.739 -10.563 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.215 0.378 -9.990 1.00 0.00 H new ATOM 0 HB VAL A 92 0.047 -2.131 -11.639 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.405 -1.508 -12.055 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.283 -0.372 -12.842 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.107 0.091 -11.334 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.748 -2.650 -9.944 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.443 -1.083 -9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.164 -2.319 -9.203 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.336 0.063 -13.109 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.518 0.784 -14.344 1.00 0.00 C ATOM 1387 C ASN A 93 -1.903 2.227 -14.060 1.00 0.00 C ATOM 1388 O ASN A 93 -1.363 3.165 -14.654 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.572 0.093 -15.190 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.733 0.998 -15.560 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.743 1.048 -14.859 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.593 1.718 -16.667 1.00 0.00 N ATOM 0 H ASN A 93 -1.736 -0.875 -13.102 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.580 0.791 -14.899 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.107 -0.282 -16.102 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.953 -0.772 -14.648 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.341 2.344 -16.966 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.738 1.645 -17.218 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.826 2.392 -13.123 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.278 3.710 -12.729 1.00 0.00 C ATOM 1401 C CYS A 94 -2.126 4.523 -12.158 1.00 0.00 C ATOM 1402 O CYS A 94 -1.930 5.678 -12.534 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.403 3.610 -11.702 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.579 4.995 -11.780 1.00 0.00 S ATOM 0 H CYS A 94 -3.275 1.625 -12.623 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.658 4.215 -13.617 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.943 2.676 -11.856 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.970 3.567 -10.703 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.361 3.919 -11.249 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.234 4.617 -10.645 1.00 0.00 C ATOM 1411 C ALA A 95 0.887 4.811 -11.651 1.00 0.00 C ATOM 1412 O ALA A 95 1.528 5.851 -11.666 1.00 0.00 O ATOM 1413 CB ALA A 95 0.269 3.904 -9.415 1.00 0.00 C ATOM 0 H ALA A 95 -1.500 2.963 -10.921 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.589 5.599 -10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.110 4.455 -8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.531 3.842 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.593 2.899 -9.684 1.00 0.00 H new ATOM 1419 N LYS A 96 1.108 3.820 -12.512 1.00 0.00 N ATOM 1420 CA LYS A 96 2.133 3.937 -13.534 1.00 0.00 C ATOM 1421 C LYS A 96 1.922 5.278 -14.223 1.00 0.00 C ATOM 1422 O LYS A 96 2.858 5.987 -14.599 1.00 0.00 O ATOM 1423 CB LYS A 96 2.016 2.795 -14.547 1.00 0.00 C ATOM 1424 CG LYS A 96 3.358 2.270 -15.030 1.00 0.00 C ATOM 1425 CD LYS A 96 3.323 0.766 -15.246 1.00 0.00 C ATOM 1426 CE LYS A 96 3.260 0.417 -16.724 1.00 0.00 C ATOM 1427 NZ LYS A 96 4.578 0.597 -17.393 1.00 0.00 N ATOM 0 H LYS A 96 0.595 2.938 -12.519 1.00 0.00 H new ATOM 0 HA LYS A 96 3.127 3.878 -13.091 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.456 1.976 -14.096 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.440 3.140 -15.406 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.630 2.766 -15.962 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.130 2.516 -14.301 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.209 0.313 -14.801 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.458 0.344 -14.734 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.932 -0.616 -16.840 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.515 1.044 -17.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.485 0.382 -18.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.895 1.580 -17.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.275 -0.045 -16.965 1.00 0.00 H new ATOM 1441 N LYS A 97 0.640 5.618 -14.314 1.00 0.00 N ATOM 1442 CA LYS A 97 0.199 6.878 -14.889 1.00 0.00 C ATOM 1443 C LYS A 97 0.307 7.988 -13.850 1.00 0.00 C ATOM 1444 O LYS A 97 0.654 9.124 -14.175 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.240 6.764 -15.395 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.542 7.670 -16.578 1.00 0.00 C ATOM 1447 CD LYS A 97 -1.326 6.950 -17.899 1.00 0.00 C ATOM 1448 CE LYS A 97 -2.614 6.325 -18.410 1.00 0.00 C ATOM 1449 NZ LYS A 97 -2.354 5.103 -19.221 1.00 0.00 N ATOM 0 H LYS A 97 -0.122 5.023 -13.989 1.00 0.00 H new ATOM 0 HA LYS A 97 0.842 7.120 -15.736 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.435 5.730 -15.680 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.923 7.004 -14.580 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.573 8.019 -16.517 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.904 8.552 -16.534 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.943 7.653 -18.639 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.570 6.175 -17.773 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.254 6.071 -17.565 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.156 7.053 -19.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.257 4.707 -19.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.764 5.350 -20.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.859 4.398 -18.638 1.00 0.00 H new ATOM 1463 N ILE A 98 0.023 7.646 -12.594 1.00 0.00 N ATOM 1464 CA ILE A 98 0.104 8.611 -11.508 1.00 0.00 C ATOM 1465 C ILE A 98 1.529 9.146 -11.369 1.00 0.00 C ATOM 1466 O ILE A 98 1.750 10.356 -11.307 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.359 8.011 -10.165 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.857 7.681 -10.222 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.074 8.979 -9.024 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.335 6.828 -9.066 1.00 0.00 C ATOM 0 H ILE A 98 -0.264 6.710 -12.308 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.569 9.431 -11.760 1.00 0.00 H new ATOM 0 HB ILE A 98 0.196 7.091 -9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.425 8.611 -10.235 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.071 7.163 -11.157 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.407 8.541 -8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.997 9.177 -8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.608 9.913 -9.198 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.402 6.635 -9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.794 5.882 -9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.153 7.352 -8.128 1.00 0.00 H new ATOM 1482 N VAL A 99 2.489 8.227 -11.322 1.00 0.00 N ATOM 1483 CA VAL A 99 3.895 8.581 -11.192 1.00 0.00 C ATOM 1484 C VAL A 99 4.438 9.178 -12.486 1.00 0.00 C ATOM 1485 O VAL A 99 5.371 9.980 -12.463 1.00 0.00 O ATOM 1486 CB VAL A 99 4.744 7.364 -10.778 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.185 6.558 -11.991 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.945 7.807 -9.958 1.00 0.00 C ATOM 0 H VAL A 99 2.314 7.223 -11.373 1.00 0.00 H new ATOM 0 HA VAL A 99 3.964 9.334 -10.407 1.00 0.00 H new ATOM 0 HB VAL A 99 4.123 6.716 -10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.782 5.706 -11.665 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.307 6.201 -12.529 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.782 7.189 -12.649 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.534 6.935 -9.674 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.561 8.483 -10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.603 8.322 -9.060 1.00 0.00 H new ATOM 1498 N SER A 100 3.832 8.807 -13.614 1.00 0.00 N ATOM 1499 CA SER A 100 4.251 9.341 -14.904 1.00 0.00 C ATOM 1500 C SER A 100 3.622 10.713 -15.120 1.00 0.00 C ATOM 1501 O SER A 100 3.970 11.433 -16.057 1.00 0.00 O ATOM 1502 CB SER A 100 3.847 8.394 -16.037 1.00 0.00 C ATOM 1503 OG SER A 100 4.325 8.861 -17.286 1.00 0.00 O ATOM 0 H SER A 100 3.057 8.145 -13.658 1.00 0.00 H new ATOM 0 HA SER A 100 5.337 9.437 -14.908 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.244 7.398 -15.842 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.761 8.304 -16.070 1.00 0.00 H new ATOM 0 HG SER A 100 4.464 9.830 -17.241 1.00 0.00 H new ATOM 1509 N ASP A 101 2.692 11.061 -14.235 1.00 0.00 N ATOM 1510 CA ASP A 101 2.000 12.343 -14.305 1.00 0.00 C ATOM 1511 C ASP A 101 2.673 13.383 -13.413 1.00 0.00 C ATOM 1512 O ASP A 101 2.276 14.549 -13.399 1.00 0.00 O ATOM 1513 CB ASP A 101 0.535 12.178 -13.896 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.420 12.478 -15.035 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.786 13.659 -15.208 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -0.803 11.530 -15.753 1.00 0.00 O ATOM 0 H ASP A 101 2.400 10.469 -13.457 1.00 0.00 H new ATOM 0 HA ASP A 101 2.048 12.693 -15.336 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.371 11.159 -13.547 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.317 12.841 -13.059 1.00 0.00 H new ATOM 1521 N GLY A 102 3.696 12.959 -12.672 1.00 0.00 N ATOM 1522 CA GLY A 102 4.403 13.878 -11.795 1.00 0.00 C ATOM 1523 C GLY A 102 4.622 13.315 -10.402 1.00 0.00 C ATOM 1524 O GLY A 102 5.749 13.296 -9.907 1.00 0.00 O ATOM 0 H GLY A 102 4.046 12.001 -12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.368 14.125 -12.238 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.839 14.808 -11.721 1.00 0.00 H new ATOM 1528 N ASN A 103 3.543 12.866 -9.768 1.00 0.00 N ATOM 1529 CA ASN A 103 3.617 12.307 -8.419 1.00 0.00 C ATOM 1530 C ASN A 103 4.600 11.142 -8.357 1.00 0.00 C ATOM 1531 O ASN A 103 4.244 10.002 -8.649 1.00 0.00 O ATOM 1532 CB ASN A 103 2.233 11.846 -7.966 1.00 0.00 C ATOM 1533 CG ASN A 103 1.152 12.859 -8.286 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.553 12.826 -9.362 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.895 13.767 -7.353 1.00 0.00 N ATOM 0 H ASN A 103 2.604 12.878 -10.167 1.00 0.00 H new ATOM 0 HA ASN A 103 3.974 13.089 -7.749 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.993 10.898 -8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.248 11.662 -6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.177 14.474 -7.513 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.415 13.758 -6.476 1.00 0.00 H new ATOM 1542 N GLY A 104 5.838 11.438 -7.975 1.00 0.00 N ATOM 1543 CA GLY A 104 6.857 10.407 -7.888 1.00 0.00 C ATOM 1544 C GLY A 104 7.044 9.861 -6.483 1.00 0.00 C ATOM 1545 O GLY A 104 8.092 10.069 -5.873 1.00 0.00 O ATOM 0 H GLY A 104 6.155 12.375 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.592 9.587 -8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.805 10.813 -8.241 1.00 0.00 H new ATOM 1549 N MET A 105 6.013 9.183 -5.969 1.00 0.00 N ATOM 1550 CA MET A 105 6.032 8.608 -4.624 1.00 0.00 C ATOM 1551 C MET A 105 5.625 9.660 -3.611 1.00 0.00 C ATOM 1552 O MET A 105 5.639 9.421 -2.404 1.00 0.00 O ATOM 1553 CB MET A 105 7.410 8.032 -4.271 1.00 0.00 C ATOM 1554 CG MET A 105 7.974 7.091 -5.326 1.00 0.00 C ATOM 1555 SD MET A 105 6.714 6.042 -6.076 1.00 0.00 S ATOM 1556 CE MET A 105 6.073 5.205 -4.629 1.00 0.00 C ATOM 0 H MET A 105 5.143 9.018 -6.475 1.00 0.00 H new ATOM 0 HA MET A 105 5.318 7.784 -4.599 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.109 8.855 -4.121 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.338 7.498 -3.323 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.462 7.677 -6.105 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.740 6.462 -4.873 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.984 4.138 -4.835 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.752 5.357 -3.790 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.092 5.610 -4.379 1.00 0.00 H new ATOM 1566 N ASN A 106 5.260 10.829 -4.121 1.00 0.00 N ATOM 1567 CA ASN A 106 4.843 11.941 -3.288 1.00 0.00 C ATOM 1568 C ASN A 106 3.332 11.939 -3.075 1.00 0.00 C ATOM 1569 O ASN A 106 2.844 12.352 -2.022 1.00 0.00 O ATOM 1570 CB ASN A 106 5.273 13.247 -3.945 1.00 0.00 C ATOM 1571 CG ASN A 106 6.641 13.709 -3.483 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.654 13.070 -3.767 1.00 0.00 O ATOM 1573 ND2 ASN A 106 6.677 14.826 -2.764 1.00 0.00 N ATOM 0 H ASN A 106 5.246 11.029 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 106 5.317 11.840 -2.312 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.283 13.119 -5.027 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.538 14.021 -3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.569 15.185 -2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.813 15.324 -2.552 1.00 0.00 H new ATOM 1580 N ALA A 107 2.595 11.468 -4.078 1.00 0.00 N ATOM 1581 CA ALA A 107 1.140 11.410 -3.993 1.00 0.00 C ATOM 1582 C ALA A 107 0.711 10.531 -2.828 1.00 0.00 C ATOM 1583 O ALA A 107 -0.323 10.765 -2.201 1.00 0.00 O ATOM 1584 CB ALA A 107 0.548 10.887 -5.292 1.00 0.00 C ATOM 0 H ALA A 107 2.981 11.122 -4.956 1.00 0.00 H new ATOM 0 HA ALA A 107 0.767 12.420 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.538 10.851 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.827 11.549 -6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.930 9.885 -5.489 1.00 0.00 H new ATOM 1590 N TRP A 108 1.522 9.520 -2.543 1.00 0.00 N ATOM 1591 CA TRP A 108 1.246 8.598 -1.453 1.00 0.00 C ATOM 1592 C TRP A 108 1.904 9.089 -0.164 1.00 0.00 C ATOM 1593 O TRP A 108 3.119 9.276 -0.102 1.00 0.00 O ATOM 1594 CB TRP A 108 1.730 7.198 -1.827 1.00 0.00 C ATOM 1595 CG TRP A 108 1.146 6.711 -3.124 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.020 6.022 -3.289 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.694 6.892 -4.437 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.229 5.757 -4.622 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.808 6.281 -5.348 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.846 7.508 -4.931 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 1.042 6.271 -6.724 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.076 7.497 -6.294 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.178 6.884 -7.176 1.00 0.00 C ATOM 0 H TRP A 108 2.380 9.319 -3.056 1.00 0.00 H new ATOM 0 HA TRP A 108 0.171 8.553 -1.280 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.817 7.201 -1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.467 6.502 -1.030 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.683 5.727 -2.489 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.027 5.252 -5.008 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.545 7.985 -4.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.352 5.797 -7.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.965 7.970 -6.686 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.387 6.895 -8.236 1.00 0.00 H new ATOM 1614 N VAL A 109 1.079 9.323 0.851 1.00 0.00 N ATOM 1615 CA VAL A 109 1.548 9.828 2.141 1.00 0.00 C ATOM 1616 C VAL A 109 2.335 8.796 2.936 1.00 0.00 C ATOM 1617 O VAL A 109 3.146 9.155 3.788 1.00 0.00 O ATOM 1618 CB VAL A 109 0.389 10.304 3.010 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.772 11.560 3.777 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -0.868 10.534 2.184 1.00 0.00 C ATOM 0 H VAL A 109 0.072 9.170 0.806 1.00 0.00 H new ATOM 0 HA VAL A 109 2.208 10.660 1.895 1.00 0.00 H new ATOM 0 HB VAL A 109 0.169 9.516 3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.069 11.882 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.628 11.348 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.032 12.351 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.674 10.873 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.671 11.292 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.160 9.603 1.699 1.00 0.00 H new ATOM 1630 N ALA A 110 2.104 7.522 2.663 1.00 0.00 N ATOM 1631 CA ALA A 110 2.814 6.465 3.373 1.00 0.00 C ATOM 1632 C ALA A 110 4.289 6.473 3.014 1.00 0.00 C ATOM 1633 O ALA A 110 5.130 6.030 3.796 1.00 0.00 O ATOM 1634 CB ALA A 110 2.195 5.109 3.073 1.00 0.00 C ATOM 0 H ALA A 110 1.438 7.195 1.963 1.00 0.00 H new ATOM 0 HA ALA A 110 2.724 6.653 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.739 4.333 3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.152 5.107 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.250 4.913 2.002 1.00 0.00 H new ATOM 1640 N TRP A 111 4.602 6.995 1.836 1.00 0.00 N ATOM 1641 CA TRP A 111 5.984 7.074 1.398 1.00 0.00 C ATOM 1642 C TRP A 111 6.644 8.317 1.981 1.00 0.00 C ATOM 1643 O TRP A 111 7.818 8.292 2.343 1.00 0.00 O ATOM 1644 CB TRP A 111 6.082 7.074 -0.130 1.00 0.00 C ATOM 1645 CG TRP A 111 7.495 7.137 -0.633 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.285 6.080 -0.983 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.285 8.314 -0.838 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.518 6.528 -1.393 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.542 7.895 -1.314 1.00 0.00 C ATOM 1650 CE3 TRP A 111 8.053 9.683 -0.667 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.561 8.794 -1.619 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.065 10.574 -0.971 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.305 10.127 -1.443 1.00 0.00 C ATOM 0 H TRP A 111 3.922 7.367 1.173 1.00 0.00 H new ATOM 0 HA TRP A 111 6.511 6.192 1.761 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.605 6.174 -0.518 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.525 7.925 -0.523 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.985 5.043 -0.943 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.290 5.938 -1.705 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.100 10.037 -0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.519 8.452 -1.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.896 11.633 -0.842 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.075 10.849 -1.673 1.00 0.00 H new ATOM 1664 N ARG A 112 5.884 9.405 2.098 1.00 0.00 N ATOM 1665 CA ARG A 112 6.411 10.637 2.667 1.00 0.00 C ATOM 1666 C ARG A 112 6.149 10.682 4.166 1.00 0.00 C ATOM 1667 O ARG A 112 5.705 11.698 4.702 1.00 0.00 O ATOM 1668 CB ARG A 112 5.761 11.840 2.004 1.00 0.00 C ATOM 1669 CG ARG A 112 6.583 12.440 0.876 1.00 0.00 C ATOM 1670 CD ARG A 112 6.802 13.930 1.076 1.00 0.00 C ATOM 1671 NE ARG A 112 5.583 14.699 0.841 1.00 0.00 N ATOM 1672 CZ ARG A 112 5.575 15.961 0.419 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.718 16.593 0.188 1.00 0.00 N ATOM 1674 NH2 ARG A 112 4.424 16.590 0.229 1.00 0.00 N ATOM 0 H ARG A 112 4.908 9.455 1.807 1.00 0.00 H new ATOM 0 HA ARG A 112 7.486 10.665 2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.787 11.545 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.583 12.606 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.547 11.934 0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.077 12.270 -0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 112 7.155 14.111 2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.584 14.275 0.400 1.00 0.00 H new ATOM 0 HE ARG A 112 4.687 14.243 1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 112 7.605 16.112 0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.710 17.560 -0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.543 16.107 0.406 1.00 0.00 H new ATOM 0 HH22 ARG A 112 4.419 17.557 -0.094 1.00 0.00 H new ATOM 1688 N ASN A 113 6.437 9.580 4.833 1.00 0.00 N ATOM 1689 CA ASN A 113 6.248 9.485 6.274 1.00 0.00 C ATOM 1690 C ASN A 113 7.188 8.447 6.875 1.00 0.00 C ATOM 1691 O ASN A 113 7.998 8.757 7.747 1.00 0.00 O ATOM 1692 CB ASN A 113 4.796 9.125 6.596 1.00 0.00 C ATOM 1693 CG ASN A 113 4.469 9.302 8.067 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.129 8.343 8.759 1.00 0.00 O ATOM 1695 ND2 ASN A 113 4.570 10.534 8.550 1.00 0.00 N ATOM 0 H ASN A 113 6.805 8.733 4.400 1.00 0.00 H new ATOM 0 HA ASN A 113 6.479 10.456 6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 113 4.129 9.749 6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.608 8.091 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.362 10.715 9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.856 11.299 7.939 1.00 0.00 H new ATOM 1702 N ARG A 114 7.059 7.213 6.407 1.00 0.00 N ATOM 1703 CA ARG A 114 7.883 6.117 6.901 1.00 0.00 C ATOM 1704 C ARG A 114 8.917 5.671 5.870 1.00 0.00 C ATOM 1705 O ARG A 114 9.608 4.672 6.072 1.00 0.00 O ATOM 1706 CB ARG A 114 6.996 4.936 7.286 1.00 0.00 C ATOM 1707 CG ARG A 114 6.544 4.959 8.737 1.00 0.00 C ATOM 1708 CD ARG A 114 7.657 4.521 9.675 1.00 0.00 C ATOM 1709 NE ARG A 114 8.006 5.564 10.636 1.00 0.00 N ATOM 1710 CZ ARG A 114 8.077 5.364 11.949 1.00 0.00 C ATOM 1711 NH1 ARG A 114 7.826 4.164 12.455 1.00 0.00 N ATOM 1712 NH2 ARG A 114 8.402 6.365 12.756 1.00 0.00 N ATOM 0 H ARG A 114 6.391 6.945 5.685 1.00 0.00 H new ATOM 0 HA ARG A 114 8.422 6.478 7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.117 4.927 6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 114 7.538 4.009 7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.219 5.965 9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.683 4.302 8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.347 3.624 10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 114 8.539 4.256 9.092 1.00 0.00 H new ATOM 0 HE ARG A 114 8.207 6.499 10.280 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.578 3.392 11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.881 4.014 13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.598 7.289 12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.456 6.211 13.763 1.00 0.00 H new ATOM 1726 N CYS A 115 9.019 6.403 4.766 1.00 0.00 N ATOM 1727 CA CYS A 115 9.970 6.052 3.715 1.00 0.00 C ATOM 1728 C CYS A 115 11.017 7.141 3.514 1.00 0.00 C ATOM 1729 O CYS A 115 12.216 6.861 3.510 1.00 0.00 O ATOM 1730 CB CYS A 115 9.237 5.783 2.404 1.00 0.00 C ATOM 1731 SG CYS A 115 7.934 4.523 2.544 1.00 0.00 S ATOM 0 H CYS A 115 8.461 7.235 4.575 1.00 0.00 H new ATOM 0 HA CYS A 115 10.487 5.146 4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.795 6.713 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.959 5.465 1.652 1.00 0.00 H new ATOM 1736 N LYS A 116 10.568 8.380 3.343 1.00 0.00 N ATOM 1737 CA LYS A 116 11.483 9.496 3.138 1.00 0.00 C ATOM 1738 C LYS A 116 12.322 9.748 4.387 1.00 0.00 C ATOM 1739 O LYS A 116 11.981 10.593 5.216 1.00 0.00 O ATOM 1740 CB LYS A 116 10.704 10.760 2.768 1.00 0.00 C ATOM 1741 CG LYS A 116 11.541 11.798 2.038 1.00 0.00 C ATOM 1742 CD LYS A 116 10.879 13.167 2.066 1.00 0.00 C ATOM 1743 CE LYS A 116 11.466 14.046 3.158 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.349 15.108 2.602 1.00 0.00 N ATOM 0 H LYS A 116 9.581 8.636 3.342 1.00 0.00 H new ATOM 0 HA LYS A 116 12.154 9.238 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.856 10.484 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.298 11.206 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.527 11.860 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.690 11.486 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.005 13.653 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.807 13.051 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.658 14.507 3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.034 13.429 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.729 15.685 3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.134 14.669 2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.801 15.713 1.957 1.00 0.00 H new ATOM 1758 N GLY A 117 13.419 9.009 4.515 1.00 0.00 N ATOM 1759 CA GLY A 117 14.288 9.167 5.665 1.00 0.00 C ATOM 1760 C GLY A 117 14.887 7.854 6.129 1.00 0.00 C ATOM 1761 O GLY A 117 15.731 7.833 7.026 1.00 0.00 O ATOM 0 H GLY A 117 13.721 8.304 3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.091 9.860 5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.724 9.614 6.483 1.00 0.00 H new ATOM 1765 N THR A 118 14.453 6.753 5.519 1.00 0.00 N ATOM 1766 CA THR A 118 14.955 5.432 5.878 1.00 0.00 C ATOM 1767 C THR A 118 15.704 4.798 4.706 1.00 0.00 C ATOM 1768 O THR A 118 16.330 5.499 3.911 1.00 0.00 O ATOM 1769 CB THR A 118 13.809 4.500 6.315 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.865 4.347 5.248 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.104 5.049 7.545 1.00 0.00 C ATOM 0 H THR A 118 13.755 6.751 4.775 1.00 0.00 H new ATOM 0 HA THR A 118 15.641 5.563 6.715 1.00 0.00 H new ATOM 0 HB THR A 118 14.237 3.529 6.563 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.141 3.752 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.299 4.374 7.835 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.817 5.136 8.365 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.690 6.032 7.319 1.00 0.00 H new ATOM 1779 N ASP A 119 15.640 3.472 4.602 1.00 0.00 N ATOM 1780 CA ASP A 119 16.318 2.760 3.526 1.00 0.00 C ATOM 1781 C ASP A 119 15.392 1.767 2.833 1.00 0.00 C ATOM 1782 O ASP A 119 15.154 0.668 3.334 1.00 0.00 O ATOM 1783 CB ASP A 119 17.538 2.047 4.053 1.00 0.00 C ATOM 1784 CG ASP A 119 18.636 1.925 3.015 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.391 1.303 1.960 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.742 2.454 3.256 1.00 0.00 O ATOM 0 H ASP A 119 15.127 2.873 5.248 1.00 0.00 H new ATOM 0 HA ASP A 119 16.625 3.501 2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.921 2.584 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.253 1.052 4.394 1.00 0.00 H new ATOM 1791 N VAL A 120 14.881 2.164 1.675 1.00 0.00 N ATOM 1792 CA VAL A 120 13.988 1.322 0.894 1.00 0.00 C ATOM 1793 C VAL A 120 14.770 0.216 0.202 1.00 0.00 C ATOM 1794 O VAL A 120 14.263 -0.889 0.011 1.00 0.00 O ATOM 1795 CB VAL A 120 13.222 2.140 -0.164 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.209 3.058 0.502 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.189 2.937 -1.027 1.00 0.00 C ATOM 0 H VAL A 120 15.073 3.073 1.254 1.00 0.00 H new ATOM 0 HA VAL A 120 13.267 0.885 1.585 1.00 0.00 H new ATOM 0 HB VAL A 120 12.681 1.448 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.678 3.628 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.496 2.461 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.726 3.744 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.630 3.508 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.760 3.620 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.871 2.255 -1.534 1.00 0.00 H new ATOM 1807 N GLN A 121 16.015 0.516 -0.155 1.00 0.00 N ATOM 1808 CA GLN A 121 16.874 -0.462 -0.804 1.00 0.00 C ATOM 1809 C GLN A 121 17.054 -1.662 0.114 1.00 0.00 C ATOM 1810 O GLN A 121 17.344 -2.770 -0.334 1.00 0.00 O ATOM 1811 CB GLN A 121 18.234 0.154 -1.142 1.00 0.00 C ATOM 1812 CG GLN A 121 18.659 -0.063 -2.584 1.00 0.00 C ATOM 1813 CD GLN A 121 19.895 0.733 -2.954 1.00 0.00 C ATOM 1814 OE1 GLN A 121 21.020 0.322 -2.671 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.691 1.881 -3.590 1.00 0.00 N ATOM 0 H GLN A 121 16.449 1.427 -0.005 1.00 0.00 H new ATOM 0 HA GLN A 121 16.407 -0.783 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.199 1.224 -0.940 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.990 -0.271 -0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.852 -1.123 -2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.840 0.217 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 121 18.741 2.183 -3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.485 2.460 -3.864 1.00 0.00 H new ATOM 1824 N ALA A 122 16.857 -1.422 1.406 1.00 0.00 N ATOM 1825 CA ALA A 122 16.973 -2.466 2.410 1.00 0.00 C ATOM 1826 C ALA A 122 15.626 -3.146 2.623 1.00 0.00 C ATOM 1827 O ALA A 122 15.560 -4.277 3.105 1.00 0.00 O ATOM 1828 CB ALA A 122 17.492 -1.889 3.719 1.00 0.00 C ATOM 0 H ALA A 122 16.615 -0.505 1.782 1.00 0.00 H new ATOM 0 HA ALA A 122 17.685 -3.211 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.573 -2.684 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.473 -1.443 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.802 -1.126 4.079 1.00 0.00 H new ATOM 1834 N TRP A 123 14.551 -2.451 2.250 1.00 0.00 N ATOM 1835 CA TRP A 123 13.205 -3.001 2.393 1.00 0.00 C ATOM 1836 C TRP A 123 13.043 -4.261 1.548 1.00 0.00 C ATOM 1837 O TRP A 123 12.127 -5.055 1.767 1.00 0.00 O ATOM 1838 CB TRP A 123 12.150 -1.968 1.986 1.00 0.00 C ATOM 1839 CG TRP A 123 11.679 -1.107 3.122 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.461 0.240 3.086 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.362 -1.526 4.457 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.033 0.679 4.314 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.966 -0.390 5.169 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.373 -2.753 5.120 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.589 -0.450 6.502 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.998 -2.809 6.444 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.610 -1.662 7.124 1.00 0.00 C ATOM 0 H TRP A 123 14.586 -1.513 1.850 1.00 0.00 H new ATOM 0 HA TRP A 123 13.061 -3.258 3.442 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.562 -1.330 1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.293 -2.487 1.555 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.604 0.868 2.219 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.802 1.644 4.552 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.673 -3.651 4.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.287 0.440 7.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.006 -3.758 6.960 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.320 -1.732 8.162 1.00 0.00 H new ATOM 1858 N ILE A 124 13.940 -4.438 0.583 1.00 0.00 N ATOM 1859 CA ILE A 124 13.903 -5.601 -0.296 1.00 0.00 C ATOM 1860 C ILE A 124 15.233 -6.347 -0.274 1.00 0.00 C ATOM 1861 O ILE A 124 15.484 -7.217 -1.107 1.00 0.00 O ATOM 1862 CB ILE A 124 13.574 -5.200 -1.746 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.525 -4.102 -2.224 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.128 -4.742 -1.854 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.267 -4.456 -3.495 1.00 0.00 C ATOM 0 H ILE A 124 14.703 -3.789 0.390 1.00 0.00 H new ATOM 0 HA ILE A 124 13.116 -6.256 0.077 1.00 0.00 H new ATOM 0 HB ILE A 124 13.707 -6.072 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.957 -3.186 -2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.249 -3.892 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.911 -4.462 -2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.466 -5.553 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.969 -3.882 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.923 -3.632 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.863 -5.354 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.550 -4.638 -4.296 1.00 0.00 H new ATOM 1877 N ARG A 125 16.083 -5.995 0.685 1.00 0.00 N ATOM 1878 CA ARG A 125 17.391 -6.625 0.822 1.00 0.00 C ATOM 1879 C ARG A 125 17.251 -8.100 1.188 1.00 0.00 C ATOM 1880 O ARG A 125 16.928 -8.438 2.328 1.00 0.00 O ATOM 1881 CB ARG A 125 18.222 -5.902 1.882 1.00 0.00 C ATOM 1882 CG ARG A 125 19.679 -5.715 1.491 1.00 0.00 C ATOM 1883 CD ARG A 125 20.610 -6.007 2.656 1.00 0.00 C ATOM 1884 NE ARG A 125 20.505 -7.391 3.108 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.528 -8.089 3.593 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.729 -7.534 3.688 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.351 -9.344 3.982 1.00 0.00 N ATOM 0 H ARG A 125 15.889 -5.275 1.381 1.00 0.00 H new ATOM 0 HA ARG A 125 17.901 -6.555 -0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.778 -4.925 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.174 -6.464 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.920 -6.374 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.836 -4.693 1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.638 -5.800 2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.376 -5.337 3.483 1.00 0.00 H new ATOM 0 HE ARG A 125 19.595 -7.849 3.049 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.870 -6.569 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.511 -8.072 4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 125 20.430 -9.775 3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.136 -9.878 4.354 1.00 0.00 H new ATOM 1901 N GLY A 126 17.496 -8.973 0.216 1.00 0.00 N ATOM 1902 CA GLY A 126 17.394 -10.402 0.455 1.00 0.00 C ATOM 1903 C GLY A 126 16.187 -11.020 -0.225 1.00 0.00 C ATOM 1904 O GLY A 126 15.990 -12.234 -0.167 1.00 0.00 O ATOM 0 H GLY A 126 17.764 -8.716 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.299 -10.892 0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.335 -10.584 1.528 1.00 0.00 H new ATOM 1908 N CYS A 127 15.379 -10.182 -0.866 1.00 0.00 N ATOM 1909 CA CYS A 127 14.185 -10.648 -1.557 1.00 0.00 C ATOM 1910 C CYS A 127 14.537 -11.553 -2.731 1.00 0.00 C ATOM 1911 O CYS A 127 15.705 -11.874 -2.955 1.00 0.00 O ATOM 1912 CB CYS A 127 13.367 -9.465 -2.032 1.00 0.00 C ATOM 1913 SG CYS A 127 12.117 -8.896 -0.837 1.00 0.00 S ATOM 0 H CYS A 127 15.531 -9.175 -0.921 1.00 0.00 H new ATOM 0 HA CYS A 127 13.595 -11.234 -0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.041 -8.638 -2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.868 -9.733 -2.963 1.00 0.00 H new ATOM 1918 N ARG A 128 13.519 -11.961 -3.481 1.00 0.00 N ATOM 1919 CA ARG A 128 13.717 -12.830 -4.635 1.00 0.00 C ATOM 1920 C ARG A 128 12.913 -12.336 -5.833 1.00 0.00 C ATOM 1921 O ARG A 128 11.795 -12.793 -6.075 1.00 0.00 O ATOM 1922 CB ARG A 128 13.316 -14.267 -4.292 1.00 0.00 C ATOM 1923 CG ARG A 128 14.303 -14.972 -3.377 1.00 0.00 C ATOM 1924 CD ARG A 128 13.690 -15.266 -2.017 1.00 0.00 C ATOM 1925 NE ARG A 128 13.128 -16.612 -1.949 1.00 0.00 N ATOM 1926 CZ ARG A 128 12.820 -17.225 -0.811 1.00 0.00 C ATOM 1927 NH1 ARG A 128 13.019 -16.617 0.351 1.00 0.00 N ATOM 1928 NH2 ARG A 128 12.311 -18.450 -0.833 1.00 0.00 N ATOM 0 H ARG A 128 12.547 -11.703 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 128 14.775 -12.809 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.335 -14.258 -3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.217 -14.838 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.628 -15.904 -3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.191 -14.352 -3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.450 -15.151 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.909 -14.536 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 128 12.963 -17.109 -2.824 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.410 -15.675 0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.781 -17.091 1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.156 -18.922 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.075 -18.920 0.041 1.00 0.00 H new ATOM 1942 N LEU A 129 13.490 -11.400 -6.580 1.00 0.00 N ATOM 1943 CA LEU A 129 12.828 -10.842 -7.754 1.00 0.00 C ATOM 1944 C LEU A 129 13.819 -10.652 -8.898 1.00 0.00 C ATOM 1945 O LEU A 129 13.509 -11.087 -10.027 1.00 0.00 O ATOM 1946 CB LEU A 129 12.168 -9.506 -7.407 1.00 0.00 C ATOM 1947 CG LEU A 129 13.014 -8.571 -6.543 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.391 -7.320 -7.322 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.268 -8.204 -5.269 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.896 -10.067 -8.655 1.00 0.00 O ATOM 0 H LEU A 129 14.415 -11.012 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 129 12.060 -11.545 -8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.917 -8.991 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.230 -9.705 -6.889 1.00 0.00 H new ATOM 0 HG LEU A 129 13.931 -9.092 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.993 -6.666 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.965 -7.601 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.486 -6.796 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.885 -7.538 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.335 -7.702 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.049 -9.109 -4.702 1.00 0.00 H new