USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-4.1!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0239 USER MOD Set 2.1: A 74 ASN :FLIP amide:sc= -3.17! C(o=-8.4!,f=-2.6!) USER MOD Set 2.2: A 77 ASN : amide:sc= 0.53 K(o=-2.6,f=-10!) USER MOD Set 3.1: A 46 ASN : amide:sc= -0.347 X(o=0.067,f=0.39) USER MOD Set 3.2: A 50 SER OG : rot 27:sc= 0.414 USER MOD Set 4.1: A 1 LYS N :NH3+ -124:sc= -2.61! (180deg=-5.68!) USER MOD Set 4.2: A 41 GLN :FLIP amide:sc= -0.552 F(o=-7.5,f=-3.2) USER MOD Set 5.1: A 24 SER OG : rot -27:sc= 1.01 USER MOD Set 5.2: A 27 ASN :FLIP amide:sc= -1.61! C(o=-4.9!,f=-0.6!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -131:sc= -11.6! (180deg=-12.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 0.24 (180deg=0.209) USER MOD Single : A 36 SER OG : rot -89:sc= -3! USER MOD Single : A 37 ASN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -3.33! C(o=-4.9!,f=-3.3!) USER MOD Single : A 40 THR OG1 : rot 150:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -2:sc= -2.07! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.96! C(o=-2!,f=-1.9!) USER MOD Single : A 59 ASN : amide:sc= -6.3! C(o=-6.3!,f=-9!) USER MOD Single : A 60 SER OG : rot -101:sc= 1.38 USER MOD Single : A 65 ASN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 69 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 72 SER OG : rot 119:sc= 0.18 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 -41:sc= 0.402 USER MOD Single : A 91 SER OG : rot -170:sc= -1.74 USER MOD Single : A 93 ASN : amide:sc= -0.13 K(o=-0.13,f=-3.2!) USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= 0.645 (180deg=0.523) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -26:sc= 0.073 USER MOD Single : A 103 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.57) USER MOD Single : A 105 MET CE :methyl -160:sc= -1.43 (180deg=-3.49) USER MOD Single : A 106 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.53) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.768 F(o=-2.5!,f=-0.77) USER MOD Single : A 116 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.314) USER MOD Single : A 118 THR OG1 : rot -59:sc= 0.607 USER MOD Single : A 121 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.247 -9.380 0.833 1.00 0.00 N ATOM 2 CA LYS A 1 -5.957 -10.094 0.647 1.00 0.00 C ATOM 3 C LYS A 1 -4.778 -9.129 0.708 1.00 0.00 C ATOM 4 O LYS A 1 -4.741 -8.132 -0.013 1.00 0.00 O ATOM 5 CB LYS A 1 -5.986 -10.808 -0.705 1.00 0.00 C ATOM 6 CG LYS A 1 -6.197 -12.310 -0.596 1.00 0.00 C ATOM 7 CD LYS A 1 -6.848 -12.874 -1.848 1.00 0.00 C ATOM 8 CE LYS A 1 -8.363 -12.759 -1.788 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.030 -13.731 -2.698 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.766 -9.802 1.629 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.062 -8.376 1.033 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.817 -9.461 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.830 -10.818 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.782 -10.381 -1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.048 -10.618 -1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.239 -12.802 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.822 -12.529 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.476 -12.342 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.566 -13.920 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.700 -12.929 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.661 -11.746 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.062 -13.621 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.729 -13.553 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.766 -14.699 -2.425 1.00 0.00 H new ATOM 25 N VAL A 2 -3.817 -9.434 1.575 1.00 0.00 N ATOM 26 CA VAL A 2 -2.634 -8.596 1.731 1.00 0.00 C ATOM 27 C VAL A 2 -1.387 -9.298 1.202 1.00 0.00 C ATOM 28 O VAL A 2 -1.097 -10.432 1.585 1.00 0.00 O ATOM 29 CB VAL A 2 -2.406 -8.213 3.210 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.093 -7.468 3.383 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.558 -7.371 3.730 1.00 0.00 C ATOM 0 H VAL A 2 -3.835 -10.255 2.180 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.811 -7.690 1.151 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.357 -9.135 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.957 -7.210 4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.269 -8.102 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.110 -6.557 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.378 -7.112 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.638 -6.459 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.486 -7.937 3.652 1.00 0.00 H new ATOM 41 N PHE A 3 -0.637 -8.613 0.339 1.00 0.00 N ATOM 42 CA PHE A 3 0.591 -9.177 -0.211 1.00 0.00 C ATOM 43 C PHE A 3 1.713 -9.090 0.813 1.00 0.00 C ATOM 44 O PHE A 3 1.519 -8.592 1.921 1.00 0.00 O ATOM 45 CB PHE A 3 1.027 -8.423 -1.472 1.00 0.00 C ATOM 46 CG PHE A 3 0.041 -8.447 -2.606 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.084 -9.255 -2.570 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.252 -7.648 -3.715 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.979 -9.265 -3.623 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.637 -7.653 -4.769 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.754 -8.461 -4.725 1.00 0.00 C ATOM 0 H PHE A 3 -0.858 -7.674 0.009 1.00 0.00 H new ATOM 0 HA PHE A 3 0.390 -10.218 -0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.224 -7.385 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.969 -8.846 -1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.263 -9.883 -1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.124 -7.012 -3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.852 -9.899 -3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.459 -7.024 -5.629 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.451 -8.466 -5.550 1.00 0.00 H new ATOM 61 N GLY A 4 2.891 -9.559 0.426 1.00 0.00 N ATOM 62 CA GLY A 4 4.038 -9.504 1.308 1.00 0.00 C ATOM 63 C GLY A 4 5.007 -8.419 0.884 1.00 0.00 C ATOM 64 O GLY A 4 4.597 -7.397 0.336 1.00 0.00 O ATOM 0 H GLY A 4 3.073 -9.978 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.705 -9.319 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.546 -10.468 1.308 1.00 0.00 H new ATOM 68 N ARG A 5 6.294 -8.637 1.127 1.00 0.00 N ATOM 69 CA ARG A 5 7.309 -7.660 0.753 1.00 0.00 C ATOM 70 C ARG A 5 7.834 -7.927 -0.648 1.00 0.00 C ATOM 71 O ARG A 5 7.757 -7.062 -1.520 1.00 0.00 O ATOM 72 CB ARG A 5 8.460 -7.669 1.759 1.00 0.00 C ATOM 73 CG ARG A 5 8.908 -6.280 2.184 1.00 0.00 C ATOM 74 CD ARG A 5 9.619 -6.311 3.527 1.00 0.00 C ATOM 75 NE ARG A 5 10.928 -6.953 3.440 1.00 0.00 N ATOM 76 CZ ARG A 5 11.625 -7.355 4.498 1.00 0.00 C ATOM 77 NH1 ARG A 5 11.140 -7.181 5.721 1.00 0.00 N ATOM 78 NH2 ARG A 5 12.808 -7.931 4.334 1.00 0.00 N ATOM 0 H ARG A 5 6.658 -9.476 1.578 1.00 0.00 H new ATOM 0 HA ARG A 5 6.844 -6.674 0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.155 -8.229 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.308 -8.198 1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.574 -5.864 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.043 -5.620 2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.739 -5.293 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.002 -6.843 4.251 1.00 0.00 H new ATOM 0 HE ARG A 5 11.330 -7.101 2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.230 -6.738 5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.677 -7.490 6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.184 -8.066 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.342 -8.239 5.146 1.00 0.00 H new ATOM 92 N CYS A 6 8.371 -9.120 -0.864 1.00 0.00 N ATOM 93 CA CYS A 6 8.904 -9.470 -2.168 1.00 0.00 C ATOM 94 C CYS A 6 7.803 -9.914 -3.115 1.00 0.00 C ATOM 95 O CYS A 6 7.838 -9.589 -4.294 1.00 0.00 O ATOM 96 CB CYS A 6 9.957 -10.561 -2.055 1.00 0.00 C ATOM 97 SG CYS A 6 11.005 -10.436 -0.571 1.00 0.00 S ATOM 0 H CYS A 6 8.448 -9.853 -0.159 1.00 0.00 H new ATOM 0 HA CYS A 6 9.370 -8.573 -2.575 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.460 -11.531 -2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.593 -10.529 -2.939 1.00 0.00 H new ATOM 102 N GLU A 7 6.822 -10.649 -2.600 1.00 0.00 N ATOM 103 CA GLU A 7 5.716 -11.108 -3.433 1.00 0.00 C ATOM 104 C GLU A 7 5.238 -9.958 -4.308 1.00 0.00 C ATOM 105 O GLU A 7 5.178 -10.068 -5.537 1.00 0.00 O ATOM 106 CB GLU A 7 4.568 -11.631 -2.567 1.00 0.00 C ATOM 107 CG GLU A 7 4.940 -12.846 -1.734 1.00 0.00 C ATOM 108 CD GLU A 7 3.915 -13.152 -0.660 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.749 -13.429 -1.015 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.277 -13.114 0.534 1.00 0.00 O ATOM 0 H GLU A 7 6.770 -10.937 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 7 6.060 -11.927 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.233 -10.834 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.726 -11.886 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.045 -13.712 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.911 -12.679 -1.268 1.00 0.00 H new ATOM 117 N LEU A 8 4.933 -8.840 -3.663 1.00 0.00 N ATOM 118 CA LEU A 8 4.497 -7.658 -4.377 1.00 0.00 C ATOM 119 C LEU A 8 5.635 -7.097 -5.218 1.00 0.00 C ATOM 120 O LEU A 8 5.400 -6.619 -6.324 1.00 0.00 O ATOM 121 CB LEU A 8 3.989 -6.578 -3.417 1.00 0.00 C ATOM 122 CG LEU A 8 3.837 -5.188 -4.046 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.644 -5.153 -4.989 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.698 -4.120 -2.975 1.00 0.00 C ATOM 0 H LEU A 8 4.981 -8.731 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 8 3.674 -7.953 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.024 -6.890 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.675 -6.508 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 8 4.739 -4.979 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.554 -4.158 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.787 -5.886 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.736 -5.390 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.592 -3.143 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.817 -4.327 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.585 -4.122 -2.342 1.00 0.00 H new ATOM 136 N ALA A 9 6.873 -7.165 -4.701 1.00 0.00 N ATOM 137 CA ALA A 9 8.023 -6.651 -5.440 1.00 0.00 C ATOM 138 C ALA A 9 8.193 -7.373 -6.768 1.00 0.00 C ATOM 139 O ALA A 9 8.250 -6.738 -7.819 1.00 0.00 O ATOM 140 CB ALA A 9 9.289 -6.756 -4.612 1.00 0.00 C ATOM 0 H ALA A 9 7.095 -7.565 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 9 7.836 -5.598 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.131 -6.367 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.174 -6.176 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.473 -7.800 -4.360 1.00 0.00 H new ATOM 146 N ALA A 10 8.257 -8.700 -6.722 1.00 0.00 N ATOM 147 CA ALA A 10 8.395 -9.488 -7.934 1.00 0.00 C ATOM 148 C ALA A 10 7.342 -9.055 -8.935 1.00 0.00 C ATOM 149 O ALA A 10 7.607 -8.948 -10.133 1.00 0.00 O ATOM 150 CB ALA A 10 8.268 -10.973 -7.625 1.00 0.00 C ATOM 0 H ALA A 10 8.215 -9.247 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 10 9.384 -9.321 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.374 -11.547 -8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.048 -11.267 -6.923 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.291 -11.171 -7.185 1.00 0.00 H new ATOM 156 N ALA A 11 6.141 -8.782 -8.426 1.00 0.00 N ATOM 157 CA ALA A 11 5.051 -8.331 -9.273 1.00 0.00 C ATOM 158 C ALA A 11 5.376 -6.982 -9.880 1.00 0.00 C ATOM 159 O ALA A 11 5.059 -6.703 -11.035 1.00 0.00 O ATOM 160 CB ALA A 11 3.747 -8.277 -8.492 1.00 0.00 C ATOM 0 H ALA A 11 5.905 -8.866 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 11 4.925 -9.048 -10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.945 -7.937 -9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.509 -9.271 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.852 -7.585 -7.656 1.00 0.00 H new ATOM 166 N MET A 12 6.024 -6.161 -9.083 1.00 0.00 N ATOM 167 CA MET A 12 6.431 -4.822 -9.512 1.00 0.00 C ATOM 168 C MET A 12 7.367 -4.915 -10.706 1.00 0.00 C ATOM 169 O MET A 12 7.160 -4.254 -11.725 1.00 0.00 O ATOM 170 CB MET A 12 7.145 -4.073 -8.386 1.00 0.00 C ATOM 171 CG MET A 12 6.471 -4.187 -7.034 1.00 0.00 C ATOM 172 SD MET A 12 4.766 -3.612 -7.060 1.00 0.00 S ATOM 173 CE MET A 12 5.025 -1.867 -7.346 1.00 0.00 C ATOM 0 H MET A 12 6.287 -6.391 -8.125 1.00 0.00 H new ATOM 0 HA MET A 12 5.528 -4.276 -9.786 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.164 -4.451 -8.304 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.217 -3.019 -8.655 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.495 -5.226 -6.707 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.034 -3.609 -6.301 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.440 -1.290 -6.629 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.082 -1.631 -7.225 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.710 -1.614 -8.358 1.00 0.00 H new ATOM 183 N LYS A 13 8.401 -5.742 -10.566 1.00 0.00 N ATOM 184 CA LYS A 13 9.381 -5.931 -11.629 1.00 0.00 C ATOM 185 C LYS A 13 8.676 -6.250 -12.936 1.00 0.00 C ATOM 186 O LYS A 13 8.968 -5.654 -13.975 1.00 0.00 O ATOM 187 CB LYS A 13 10.351 -7.058 -11.266 1.00 0.00 C ATOM 188 CG LYS A 13 11.810 -6.699 -11.491 1.00 0.00 C ATOM 189 CD LYS A 13 12.406 -7.489 -12.644 1.00 0.00 C ATOM 190 CE LYS A 13 13.832 -7.054 -12.940 1.00 0.00 C ATOM 191 NZ LYS A 13 14.073 -6.895 -14.400 1.00 0.00 N ATOM 0 H LYS A 13 8.580 -6.291 -9.726 1.00 0.00 H new ATOM 0 HA LYS A 13 9.949 -5.008 -11.748 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.208 -7.326 -10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.107 -7.941 -11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.896 -5.632 -11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.378 -6.895 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.391 -8.552 -12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.792 -7.355 -13.534 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.036 -6.111 -12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.527 -7.790 -12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.057 -6.598 -14.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.903 -7.802 -14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.428 -6.175 -14.782 1.00 0.00 H new ATOM 205 N ARG A 14 7.738 -7.186 -12.874 1.00 0.00 N ATOM 206 CA ARG A 14 6.980 -7.578 -14.048 1.00 0.00 C ATOM 207 C ARG A 14 6.145 -6.406 -14.545 1.00 0.00 C ATOM 208 O ARG A 14 5.993 -6.208 -15.751 1.00 0.00 O ATOM 209 CB ARG A 14 6.074 -8.769 -13.728 1.00 0.00 C ATOM 210 CG ARG A 14 6.725 -10.116 -13.996 1.00 0.00 C ATOM 211 CD ARG A 14 5.687 -11.222 -14.110 1.00 0.00 C ATOM 212 NE ARG A 14 6.156 -12.474 -13.524 1.00 0.00 N ATOM 213 CZ ARG A 14 5.389 -13.549 -13.369 1.00 0.00 C ATOM 214 NH1 ARG A 14 4.121 -13.524 -13.758 1.00 0.00 N ATOM 215 NH2 ARG A 14 5.889 -14.651 -12.828 1.00 0.00 N ATOM 0 H ARG A 14 7.486 -7.686 -12.022 1.00 0.00 H new ATOM 0 HA ARG A 14 7.679 -7.874 -14.830 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.779 -8.719 -12.680 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.162 -8.691 -14.320 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.306 -10.064 -14.917 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.422 -10.351 -13.192 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.769 -10.910 -13.612 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.442 -11.382 -15.160 1.00 0.00 H new ATOM 0 HE ARG A 14 7.127 -12.527 -13.216 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.733 -12.679 -14.177 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.534 -14.350 -13.638 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.864 -14.676 -12.530 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.299 -15.474 -12.710 1.00 0.00 H new ATOM 229 N HIS A 15 5.580 -5.646 -13.608 1.00 0.00 N ATOM 230 CA HIS A 15 4.733 -4.514 -13.949 1.00 0.00 C ATOM 231 C HIS A 15 5.547 -3.303 -14.392 1.00 0.00 C ATOM 232 O HIS A 15 4.978 -2.309 -14.843 1.00 0.00 O ATOM 233 CB HIS A 15 3.861 -4.136 -12.752 1.00 0.00 C ATOM 234 CG HIS A 15 2.559 -4.875 -12.700 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.001 -5.333 -11.524 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.701 -5.232 -13.685 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.859 -5.940 -11.789 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.653 -5.892 -13.092 1.00 0.00 N ATOM 0 H HIS A 15 5.696 -5.798 -12.606 1.00 0.00 H new ATOM 0 HA HIS A 15 4.105 -4.817 -14.786 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.416 -4.329 -11.834 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.660 -3.065 -12.783 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.407 -5.220 -10.595 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.819 -5.034 -14.740 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.204 -6.398 -11.063 1.00 0.00 H new ATOM 247 N GLY A 16 6.874 -3.393 -14.318 1.00 0.00 N ATOM 248 CA GLY A 16 7.713 -2.301 -14.774 1.00 0.00 C ATOM 249 C GLY A 16 7.805 -1.112 -13.834 1.00 0.00 C ATOM 250 O GLY A 16 8.109 -0.010 -14.286 1.00 0.00 O ATOM 0 H GLY A 16 7.379 -4.200 -13.952 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.718 -2.685 -14.945 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.336 -1.953 -15.736 1.00 0.00 H new ATOM 254 N LEU A 17 7.550 -1.294 -12.538 1.00 0.00 N ATOM 255 CA LEU A 17 7.630 -0.162 -11.620 1.00 0.00 C ATOM 256 C LEU A 17 9.041 0.017 -11.094 1.00 0.00 C ATOM 257 O LEU A 17 9.346 0.993 -10.412 1.00 0.00 O ATOM 258 CB LEU A 17 6.654 -0.310 -10.450 1.00 0.00 C ATOM 259 CG LEU A 17 5.270 -0.885 -10.779 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.214 -0.240 -9.898 1.00 0.00 C ATOM 261 CD2 LEU A 17 4.907 -0.688 -12.246 1.00 0.00 C ATOM 0 H LEU A 17 7.294 -2.185 -12.112 1.00 0.00 H new ATOM 0 HA LEU A 17 7.350 0.725 -12.187 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.118 -0.948 -9.698 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.516 0.671 -9.995 1.00 0.00 H new ATOM 0 HG LEU A 17 5.306 -1.957 -10.585 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.236 -0.655 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.444 -0.438 -8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.204 0.836 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.920 -1.109 -12.436 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.898 0.377 -12.479 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.643 -1.190 -12.874 1.00 0.00 H new ATOM 273 N ASP A 18 9.898 -0.927 -11.421 1.00 0.00 N ATOM 274 CA ASP A 18 11.285 -0.874 -10.980 1.00 0.00 C ATOM 275 C ASP A 18 12.050 0.219 -11.727 1.00 0.00 C ATOM 276 O ASP A 18 12.538 0.014 -12.840 1.00 0.00 O ATOM 277 CB ASP A 18 11.961 -2.237 -11.154 1.00 0.00 C ATOM 278 CG ASP A 18 13.457 -2.128 -11.386 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.171 -1.688 -10.460 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.913 -2.481 -12.493 1.00 0.00 O ATOM 0 H ASP A 18 9.664 -1.741 -11.989 1.00 0.00 H new ATOM 0 HA ASP A 18 11.297 -0.626 -9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.779 -2.843 -10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.505 -2.759 -11.995 1.00 0.00 H new ATOM 285 N ASN A 19 12.138 1.379 -11.087 1.00 0.00 N ATOM 286 CA ASN A 19 12.833 2.540 -11.639 1.00 0.00 C ATOM 287 C ASN A 19 12.149 3.050 -12.888 1.00 0.00 C ATOM 288 O ASN A 19 12.794 3.553 -13.809 1.00 0.00 O ATOM 289 CB ASN A 19 14.300 2.215 -11.925 1.00 0.00 C ATOM 290 CG ASN A 19 15.216 3.394 -11.663 1.00 0.00 C ATOM 291 OD1 ASN A 19 14.966 4.505 -12.130 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.287 3.157 -10.914 1.00 0.00 N ATOM 0 H ASN A 19 11.729 1.543 -10.167 1.00 0.00 H new ATOM 0 HA ASN A 19 12.796 3.331 -10.889 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.610 1.373 -11.306 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.404 1.902 -12.964 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.941 3.912 -10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.456 2.220 -10.547 1.00 0.00 H new ATOM 299 N TYR A 20 10.833 2.949 -12.894 1.00 0.00 N ATOM 300 CA TYR A 20 10.053 3.437 -14.013 1.00 0.00 C ATOM 301 C TYR A 20 10.167 4.946 -14.022 1.00 0.00 C ATOM 302 O TYR A 20 10.715 5.510 -13.077 1.00 0.00 O ATOM 303 CB TYR A 20 8.590 3.006 -13.879 1.00 0.00 C ATOM 304 CG TYR A 20 7.750 3.299 -15.102 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.943 2.599 -16.285 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.764 4.278 -15.072 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.177 2.864 -17.405 1.00 0.00 C ATOM 308 CE2 TYR A 20 5.994 4.549 -16.187 1.00 0.00 C ATOM 309 CZ TYR A 20 6.204 3.840 -17.350 1.00 0.00 C ATOM 310 OH TYR A 20 5.439 4.107 -18.462 1.00 0.00 O ATOM 0 H TYR A 20 10.285 2.535 -12.140 1.00 0.00 H new ATOM 0 HA TYR A 20 10.428 3.022 -14.949 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.554 1.936 -13.674 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.150 3.511 -13.019 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.704 1.834 -16.331 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.597 4.836 -14.163 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.340 2.310 -18.318 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.231 5.313 -16.147 1.00 0.00 H new ATOM 0 HH TYR A 20 4.800 4.820 -18.256 1.00 0.00 H new ATOM 320 N ARG A 21 9.686 5.593 -15.083 1.00 0.00 N ATOM 321 CA ARG A 21 9.759 7.048 -15.188 1.00 0.00 C ATOM 322 C ARG A 21 9.794 7.677 -13.797 1.00 0.00 C ATOM 323 O ARG A 21 10.497 8.659 -13.559 1.00 0.00 O ATOM 324 CB ARG A 21 8.566 7.587 -15.979 1.00 0.00 C ATOM 325 CG ARG A 21 8.853 7.777 -17.459 1.00 0.00 C ATOM 326 CD ARG A 21 9.392 9.169 -17.747 1.00 0.00 C ATOM 327 NE ARG A 21 10.648 9.127 -18.491 1.00 0.00 N ATOM 328 CZ ARG A 21 10.736 9.328 -19.803 1.00 0.00 C ATOM 329 NH1 ARG A 21 9.645 9.584 -20.513 1.00 0.00 N ATOM 330 NH2 ARG A 21 11.916 9.273 -20.406 1.00 0.00 N ATOM 0 H ARG A 21 9.243 5.134 -15.879 1.00 0.00 H new ATOM 0 HA ARG A 21 10.675 7.311 -15.717 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.726 6.902 -15.865 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.259 8.541 -15.552 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.575 7.030 -17.790 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.940 7.613 -18.032 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.653 9.733 -18.315 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.545 9.700 -16.807 1.00 0.00 H new ATOM 0 HE ARG A 21 11.506 8.933 -17.975 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.736 9.627 -20.053 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.716 9.738 -21.519 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.757 9.076 -19.864 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.982 9.427 -21.412 1.00 0.00 H new ATOM 344 N GLY A 22 9.026 7.085 -12.886 1.00 0.00 N ATOM 345 CA GLY A 22 8.965 7.567 -11.524 1.00 0.00 C ATOM 346 C GLY A 22 10.122 7.079 -10.672 1.00 0.00 C ATOM 347 O GLY A 22 11.209 7.654 -10.710 1.00 0.00 O ATOM 0 H GLY A 22 8.440 6.271 -13.074 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.959 8.657 -11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.027 7.246 -11.072 1.00 0.00 H new ATOM 351 N TYR A 23 9.880 6.040 -9.870 1.00 0.00 N ATOM 352 CA TYR A 23 10.921 5.531 -8.980 1.00 0.00 C ATOM 353 C TYR A 23 11.148 4.030 -9.088 1.00 0.00 C ATOM 354 O TYR A 23 10.512 3.336 -9.882 1.00 0.00 O ATOM 355 CB TYR A 23 10.597 5.902 -7.535 1.00 0.00 C ATOM 356 CG TYR A 23 10.867 7.352 -7.207 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.016 8.354 -7.656 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.971 7.721 -6.449 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.257 9.683 -7.359 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.220 9.046 -6.148 1.00 0.00 C ATOM 361 CZ TYR A 23 11.360 10.023 -6.606 1.00 0.00 C ATOM 362 OH TYR A 23 11.605 11.343 -6.309 1.00 0.00 O ATOM 0 H TYR A 23 8.990 5.544 -9.819 1.00 0.00 H new ATOM 0 HA TYR A 23 11.850 6.004 -9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.547 5.683 -7.339 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.184 5.272 -6.867 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.151 8.091 -8.247 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.646 6.959 -6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.585 10.450 -7.715 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.083 9.316 -5.557 1.00 0.00 H new ATOM 0 HH TYR A 23 12.421 11.411 -5.770 1.00 0.00 H new ATOM 372 N SER A 24 12.096 3.555 -8.276 1.00 0.00 N ATOM 373 CA SER A 24 12.478 2.151 -8.249 1.00 0.00 C ATOM 374 C SER A 24 11.609 1.333 -7.305 1.00 0.00 C ATOM 375 O SER A 24 10.852 1.874 -6.500 1.00 0.00 O ATOM 376 CB SER A 24 13.946 2.017 -7.842 1.00 0.00 C ATOM 377 OG SER A 24 14.128 2.343 -6.474 1.00 0.00 O ATOM 0 H SER A 24 12.617 4.138 -7.621 1.00 0.00 H new ATOM 0 HA SER A 24 12.332 1.757 -9.255 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.286 0.997 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.559 2.673 -8.460 1.00 0.00 H new ATOM 0 HG SER A 24 13.431 2.971 -6.192 1.00 0.00 H new ATOM 383 N LEU A 25 11.739 0.017 -7.428 1.00 0.00 N ATOM 384 CA LEU A 25 10.998 -0.936 -6.617 1.00 0.00 C ATOM 385 C LEU A 25 10.908 -0.509 -5.154 1.00 0.00 C ATOM 386 O LEU A 25 9.814 -0.373 -4.609 1.00 0.00 O ATOM 387 CB LEU A 25 11.673 -2.301 -6.723 1.00 0.00 C ATOM 388 CG LEU A 25 10.966 -3.293 -7.634 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.975 -4.202 -8.317 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.960 -4.107 -6.838 1.00 0.00 C ATOM 0 H LEU A 25 12.369 -0.421 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 25 9.977 -0.983 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.692 -2.160 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.745 -2.733 -5.725 1.00 0.00 H new ATOM 0 HG LEU A 25 10.431 -2.741 -8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.451 -4.905 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.661 -3.601 -8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.537 -4.753 -7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.459 -4.814 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.477 -4.652 -6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.221 -3.439 -6.395 1.00 0.00 H new ATOM 402 N GLY A 26 12.063 -0.324 -4.518 1.00 0.00 N ATOM 403 CA GLY A 26 12.100 0.063 -3.115 1.00 0.00 C ATOM 404 C GLY A 26 11.083 1.130 -2.748 1.00 0.00 C ATOM 405 O GLY A 26 10.507 1.096 -1.661 1.00 0.00 O ATOM 0 H GLY A 26 12.979 -0.436 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.926 -0.819 -2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.099 0.427 -2.874 1.00 0.00 H new ATOM 409 N ASN A 27 10.865 2.083 -3.649 1.00 0.00 N ATOM 410 CA ASN A 27 9.913 3.163 -3.396 1.00 0.00 C ATOM 411 C ASN A 27 8.473 2.654 -3.435 1.00 0.00 C ATOM 412 O ASN A 27 7.622 3.124 -2.681 1.00 0.00 O ATOM 413 CB ASN A 27 10.101 4.288 -4.414 1.00 0.00 C ATOM 414 CG ASN A 27 11.537 4.769 -4.485 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.305 4.208 -5.412 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.952 5.636 -3.715 1.00 0.00 N flip ATOM 0 H ASN A 27 11.330 2.131 -4.555 1.00 0.00 H new ATOM 0 HA ASN A 27 10.108 3.552 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.788 3.940 -5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.453 5.124 -4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.327 6.040 -3.018 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.921 5.950 -3.775 1.00 0.00 H new ATOM 423 N TRP A 28 8.210 1.692 -4.313 1.00 0.00 N ATOM 424 CA TRP A 28 6.874 1.118 -4.446 1.00 0.00 C ATOM 425 C TRP A 28 6.517 0.266 -3.240 1.00 0.00 C ATOM 426 O TRP A 28 5.408 0.355 -2.716 1.00 0.00 O ATOM 427 CB TRP A 28 6.789 0.289 -5.717 1.00 0.00 C ATOM 428 CG TRP A 28 6.985 1.129 -6.927 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.132 1.269 -7.638 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.011 1.967 -7.550 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.944 2.162 -8.660 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.643 2.599 -8.634 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.665 2.242 -7.294 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.976 3.494 -9.465 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.997 3.127 -8.117 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.653 3.746 -9.193 1.00 0.00 C ATOM 0 H TRP A 28 8.904 1.292 -4.944 1.00 0.00 H new ATOM 0 HA TRP A 28 6.157 1.937 -4.502 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.544 -0.497 -5.692 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.818 -0.203 -5.768 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.057 0.752 -7.429 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.655 2.454 -9.331 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.156 1.770 -6.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.479 3.972 -10.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.956 3.346 -7.931 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.106 4.435 -9.820 1.00 0.00 H new ATOM 447 N VAL A 29 7.458 -0.559 -2.801 1.00 0.00 N ATOM 448 CA VAL A 29 7.233 -1.421 -1.654 1.00 0.00 C ATOM 449 C VAL A 29 7.060 -0.600 -0.391 1.00 0.00 C ATOM 450 O VAL A 29 6.128 -0.813 0.377 1.00 0.00 O ATOM 451 CB VAL A 29 8.404 -2.405 -1.467 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.164 -3.315 -0.272 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.623 -3.215 -2.737 1.00 0.00 C ATOM 0 H VAL A 29 8.382 -0.648 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 29 6.320 -1.987 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 29 9.308 -1.830 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.005 -4.000 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.066 -2.712 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.249 -3.886 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.453 -3.906 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.719 -3.778 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.853 -2.542 -3.563 1.00 0.00 H new ATOM 463 N CYS A 30 7.969 0.335 -0.184 1.00 0.00 N ATOM 464 CA CYS A 30 7.928 1.197 0.985 1.00 0.00 C ATOM 465 C CYS A 30 6.604 1.959 1.064 1.00 0.00 C ATOM 466 O CYS A 30 5.946 1.979 2.109 1.00 0.00 O ATOM 467 CB CYS A 30 9.097 2.177 0.928 1.00 0.00 C ATOM 468 SG CYS A 30 9.570 2.877 2.537 1.00 0.00 S ATOM 0 H CYS A 30 8.750 0.518 -0.814 1.00 0.00 H new ATOM 0 HA CYS A 30 8.009 0.578 1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.960 1.669 0.499 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.839 2.993 0.253 1.00 0.00 H new ATOM 473 N ALA A 31 6.224 2.589 -0.047 1.00 0.00 N ATOM 474 CA ALA A 31 4.990 3.363 -0.108 1.00 0.00 C ATOM 475 C ALA A 31 3.759 2.491 0.104 1.00 0.00 C ATOM 476 O ALA A 31 2.862 2.849 0.865 1.00 0.00 O ATOM 477 CB ALA A 31 4.894 4.088 -1.442 1.00 0.00 C ATOM 0 H ALA A 31 6.756 2.577 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 31 5.019 4.092 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.969 4.663 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.744 4.761 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.900 3.360 -2.253 1.00 0.00 H new ATOM 483 N ALA A 32 3.717 1.350 -0.576 1.00 0.00 N ATOM 484 CA ALA A 32 2.587 0.435 -0.466 1.00 0.00 C ATOM 485 C ALA A 32 2.512 -0.205 0.916 1.00 0.00 C ATOM 486 O ALA A 32 1.448 -0.236 1.536 1.00 0.00 O ATOM 487 CB ALA A 32 2.676 -0.640 -1.540 1.00 0.00 C ATOM 0 H ALA A 32 4.453 1.037 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 32 1.675 1.014 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.827 -1.317 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.662 -0.173 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.603 -1.201 -1.418 1.00 0.00 H new ATOM 493 N LYS A 33 3.641 -0.726 1.384 1.00 0.00 N ATOM 494 CA LYS A 33 3.715 -1.383 2.686 1.00 0.00 C ATOM 495 C LYS A 33 3.032 -0.566 3.768 1.00 0.00 C ATOM 496 O LYS A 33 2.132 -1.052 4.449 1.00 0.00 O ATOM 497 CB LYS A 33 5.176 -1.613 3.076 1.00 0.00 C ATOM 498 CG LYS A 33 5.346 -2.327 4.408 1.00 0.00 C ATOM 499 CD LYS A 33 6.314 -1.586 5.317 1.00 0.00 C ATOM 500 CE LYS A 33 6.368 -2.212 6.700 1.00 0.00 C ATOM 501 NZ LYS A 33 5.434 -1.544 7.650 1.00 0.00 N ATOM 0 H LYS A 33 4.526 -0.706 0.876 1.00 0.00 H new ATOM 0 HA LYS A 33 3.197 -2.338 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.664 -2.197 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.687 -0.651 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.378 -2.416 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.710 -3.340 4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.310 -1.594 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.010 -0.542 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.118 -3.271 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.385 -2.150 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.400 -2.082 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.767 -0.578 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.482 -1.505 7.232 1.00 0.00 H new ATOM 515 N PHE A 34 3.481 0.667 3.941 1.00 0.00 N ATOM 516 CA PHE A 34 2.917 1.524 4.971 1.00 0.00 C ATOM 517 C PHE A 34 1.561 2.086 4.578 1.00 0.00 C ATOM 518 O PHE A 34 0.798 2.530 5.435 1.00 0.00 O ATOM 519 CB PHE A 34 3.876 2.646 5.313 1.00 0.00 C ATOM 520 CG PHE A 34 4.814 2.316 6.439 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.338 2.149 7.729 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.172 2.173 6.206 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.199 1.845 8.766 1.00 0.00 C ATOM 524 CE2 PHE A 34 7.038 1.868 7.239 1.00 0.00 C ATOM 525 CZ PHE A 34 6.551 1.705 8.521 1.00 0.00 C ATOM 0 H PHE A 34 4.225 1.093 3.389 1.00 0.00 H new ATOM 0 HA PHE A 34 2.764 0.904 5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.460 2.896 4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.302 3.534 5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.282 2.258 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.558 2.301 5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.815 1.717 9.767 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.094 1.757 7.044 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.226 1.469 9.330 1.00 0.00 H new ATOM 535 N GLU A 35 1.262 2.077 3.289 1.00 0.00 N ATOM 536 CA GLU A 35 -0.001 2.599 2.798 1.00 0.00 C ATOM 537 C GLU A 35 -1.191 1.788 3.295 1.00 0.00 C ATOM 538 O GLU A 35 -2.128 2.331 3.880 1.00 0.00 O ATOM 539 CB GLU A 35 0.012 2.589 1.271 1.00 0.00 C ATOM 540 CG GLU A 35 -0.203 3.959 0.650 1.00 0.00 C ATOM 541 CD GLU A 35 0.387 4.065 -0.742 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.332 3.759 -1.715 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.568 4.452 -0.858 1.00 0.00 O ATOM 0 H GLU A 35 1.879 1.713 2.563 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.111 3.615 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.966 2.190 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.764 1.912 0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.271 4.170 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.246 4.719 1.290 1.00 0.00 H new ATOM 550 N SER A 36 -1.169 0.495 3.005 1.00 0.00 N ATOM 551 CA SER A 36 -2.275 -0.388 3.367 1.00 0.00 C ATOM 552 C SER A 36 -1.792 -1.663 4.045 1.00 0.00 C ATOM 553 O SER A 36 -2.531 -2.644 4.120 1.00 0.00 O ATOM 554 CB SER A 36 -3.048 -0.757 2.097 1.00 0.00 C ATOM 555 OG SER A 36 -2.156 -1.110 1.058 1.00 0.00 O ATOM 0 H SER A 36 -0.400 0.032 2.521 1.00 0.00 H new ATOM 0 HA SER A 36 -2.913 0.142 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.722 -1.588 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.666 0.084 1.783 1.00 0.00 H new ATOM 0 HG SER A 36 -1.914 -0.309 0.548 1.00 0.00 H new ATOM 561 N ASN A 37 -0.551 -1.662 4.511 1.00 0.00 N ATOM 562 CA ASN A 37 0.008 -2.849 5.145 1.00 0.00 C ATOM 563 C ASN A 37 -0.038 -3.999 4.149 1.00 0.00 C ATOM 564 O ASN A 37 -0.142 -5.164 4.524 1.00 0.00 O ATOM 565 CB ASN A 37 -0.768 -3.206 6.414 1.00 0.00 C ATOM 566 CG ASN A 37 -0.157 -2.590 7.658 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.787 -1.776 8.335 1.00 0.00 O ATOM 568 ND2 ASN A 37 1.075 -2.975 7.966 1.00 0.00 N ATOM 0 H ASN A 37 0.082 -0.863 4.464 1.00 0.00 H new ATOM 0 HA ASN A 37 1.040 -2.654 5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.799 -2.868 6.313 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.798 -4.290 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.537 -2.594 8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.560 -3.652 7.377 1.00 0.00 H new ATOM 575 N PHE A 38 0.051 -3.628 2.873 1.00 0.00 N ATOM 576 CA PHE A 38 0.037 -4.547 1.747 1.00 0.00 C ATOM 577 C PHE A 38 -1.357 -5.100 1.481 1.00 0.00 C ATOM 578 O PHE A 38 -1.507 -6.140 0.848 1.00 0.00 O ATOM 579 CB PHE A 38 1.064 -5.665 1.933 1.00 0.00 C ATOM 580 CG PHE A 38 2.472 -5.196 1.703 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.782 -4.424 0.594 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.481 -5.513 2.595 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.069 -3.980 0.377 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.773 -5.071 2.384 1.00 0.00 C ATOM 585 CZ PHE A 38 5.068 -4.303 1.273 1.00 0.00 C ATOM 0 H PHE A 38 0.137 -2.652 2.591 1.00 0.00 H new ATOM 0 HA PHE A 38 0.324 -3.980 0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.979 -6.068 2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.839 -6.479 1.244 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.004 -4.167 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.256 -6.112 3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.295 -3.381 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.552 -5.325 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.077 -3.957 1.107 1.00 0.00 H new ATOM 595 N ASN A 39 -2.381 -4.372 1.923 1.00 0.00 N ATOM 596 CA ASN A 39 -3.761 -4.781 1.689 1.00 0.00 C ATOM 597 C ASN A 39 -4.226 -4.250 0.342 1.00 0.00 C ATOM 598 O ASN A 39 -4.415 -3.046 0.168 1.00 0.00 O ATOM 599 CB ASN A 39 -4.674 -4.275 2.804 1.00 0.00 C ATOM 600 CG ASN A 39 -5.855 -5.196 3.048 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.427 -5.724 1.971 1.00 0.00 O flip ATOM 602 ND2 ASN A 39 -6.247 -5.431 4.190 1.00 0.00 N flip ATOM 0 H ASN A 39 -2.280 -3.500 2.443 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.810 -5.870 1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.098 -4.176 3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.039 -3.281 2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.778 -5.004 4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.041 -6.053 4.339 1.00 0.00 H new ATOM 609 N THR A 40 -4.370 -5.152 -0.617 1.00 0.00 N ATOM 610 CA THR A 40 -4.764 -4.780 -1.967 1.00 0.00 C ATOM 611 C THR A 40 -6.271 -4.860 -2.159 1.00 0.00 C ATOM 612 O THR A 40 -6.834 -4.197 -3.031 1.00 0.00 O ATOM 613 CB THR A 40 -4.078 -5.695 -2.997 1.00 0.00 C ATOM 614 OG1 THR A 40 -4.907 -6.830 -3.278 1.00 0.00 O ATOM 615 CG2 THR A 40 -2.731 -6.170 -2.477 1.00 0.00 C ATOM 0 H THR A 40 -4.219 -6.152 -0.484 1.00 0.00 H new ATOM 0 HA THR A 40 -4.450 -3.747 -2.119 1.00 0.00 H new ATOM 0 HB THR A 40 -3.923 -5.123 -3.912 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.751 -7.129 -4.198 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.262 -6.816 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.090 -5.309 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.874 -6.726 -1.551 1.00 0.00 H new ATOM 623 N GLN A 41 -6.917 -5.685 -1.349 1.00 0.00 N ATOM 624 CA GLN A 41 -8.356 -5.870 -1.435 1.00 0.00 C ATOM 625 C GLN A 41 -9.104 -4.941 -0.480 1.00 0.00 C ATOM 626 O GLN A 41 -10.331 -4.982 -0.399 1.00 0.00 O ATOM 627 CB GLN A 41 -8.699 -7.324 -1.121 1.00 0.00 C ATOM 628 CG GLN A 41 -8.738 -8.222 -2.346 1.00 0.00 C ATOM 629 CD GLN A 41 -9.760 -9.336 -2.221 1.00 0.00 C ATOM 630 OE1 GLN A 41 -9.825 -9.951 -1.046 1.00 0.00 O flip ATOM 631 NE2 GLN A 41 -10.483 -9.640 -3.169 1.00 0.00 N flip ATOM 0 H GLN A 41 -6.464 -6.239 -0.622 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.670 -5.623 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.965 -7.717 -0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.669 -7.360 -0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.968 -7.621 -3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.751 -8.656 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.400 -9.141 -4.055 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.166 -10.391 -3.069 1.00 0.00 H new ATOM 640 N ALA A 42 -8.361 -4.121 0.256 1.00 0.00 N ATOM 641 CA ALA A 42 -8.966 -3.206 1.218 1.00 0.00 C ATOM 642 C ALA A 42 -9.258 -1.834 0.619 1.00 0.00 C ATOM 643 O ALA A 42 -8.815 -1.501 -0.482 1.00 0.00 O ATOM 644 CB ALA A 42 -8.070 -3.058 2.436 1.00 0.00 C ATOM 0 H ALA A 42 -7.343 -4.071 0.206 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.921 -3.641 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.532 -2.373 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.933 -4.031 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.101 -2.664 2.129 1.00 0.00 H new ATOM 650 N THR A 43 -10.004 -1.043 1.382 1.00 0.00 N ATOM 651 CA THR A 43 -10.379 0.312 0.994 1.00 0.00 C ATOM 652 C THR A 43 -10.158 1.262 2.171 1.00 0.00 C ATOM 653 O THR A 43 -10.247 0.847 3.327 1.00 0.00 O ATOM 654 CB THR A 43 -11.856 0.388 0.561 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.708 0.369 1.713 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.213 -0.772 -0.357 1.00 0.00 C ATOM 0 H THR A 43 -10.368 -1.325 2.292 1.00 0.00 H new ATOM 0 HA THR A 43 -9.755 0.601 0.148 1.00 0.00 H new ATOM 0 HB THR A 43 -12.002 1.321 0.016 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.644 0.419 1.428 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.260 -0.696 -0.649 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.585 -0.738 -1.247 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.050 -1.714 0.167 1.00 0.00 H new ATOM 664 N ASN A 44 -9.866 2.529 1.889 1.00 0.00 N ATOM 665 CA ASN A 44 -9.632 3.504 2.954 1.00 0.00 C ATOM 666 C ASN A 44 -10.450 4.772 2.736 1.00 0.00 C ATOM 667 O ASN A 44 -10.009 5.699 2.058 1.00 0.00 O ATOM 668 CB ASN A 44 -8.144 3.851 3.038 1.00 0.00 C ATOM 669 CG ASN A 44 -7.621 3.813 4.460 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.775 2.815 5.165 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.000 4.905 4.891 1.00 0.00 N ATOM 0 H ASN A 44 -9.786 2.903 0.943 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.950 3.053 3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.575 3.151 2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.981 4.845 2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.628 4.939 5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.895 5.709 4.273 1.00 0.00 H new ATOM 678 N ARG A 45 -11.644 4.809 3.320 1.00 0.00 N ATOM 679 CA ARG A 45 -12.522 5.966 3.191 1.00 0.00 C ATOM 680 C ARG A 45 -11.945 7.179 3.915 1.00 0.00 C ATOM 681 O ARG A 45 -11.518 7.084 5.066 1.00 0.00 O ATOM 682 CB ARG A 45 -13.912 5.642 3.741 1.00 0.00 C ATOM 683 CG ARG A 45 -14.753 4.789 2.806 1.00 0.00 C ATOM 684 CD ARG A 45 -16.236 4.929 3.106 1.00 0.00 C ATOM 685 NE ARG A 45 -16.946 5.641 2.046 1.00 0.00 N ATOM 686 CZ ARG A 45 -18.132 5.270 1.576 1.00 0.00 C ATOM 687 NH1 ARG A 45 -18.741 4.199 2.069 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.712 5.970 0.610 1.00 0.00 N ATOM 0 H ARG A 45 -12.025 4.051 3.887 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.604 6.208 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.805 5.124 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.440 6.574 3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.561 5.081 1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.459 3.744 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.675 3.939 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.366 5.460 4.049 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.507 6.469 1.644 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.299 3.657 2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.651 3.917 1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.247 6.794 0.228 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.623 5.685 0.250 1.00 0.00 H new ATOM 702 N ASN A 46 -11.938 8.318 3.230 1.00 0.00 N ATOM 703 CA ASN A 46 -11.417 9.555 3.801 1.00 0.00 C ATOM 704 C ASN A 46 -12.547 10.518 4.145 1.00 0.00 C ATOM 705 O ASN A 46 -13.719 10.231 3.900 1.00 0.00 O ATOM 706 CB ASN A 46 -10.444 10.222 2.829 1.00 0.00 C ATOM 707 CG ASN A 46 -9.543 9.220 2.133 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.838 8.447 2.781 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.562 9.230 0.805 1.00 0.00 N ATOM 0 H ASN A 46 -12.288 8.410 2.276 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.887 9.303 4.720 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.007 10.780 2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.831 10.943 3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.976 8.579 0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.162 9.889 0.308 1.00 0.00 H new ATOM 716 N THR A 47 -12.182 11.658 4.718 1.00 0.00 N ATOM 717 CA THR A 47 -13.159 12.671 5.103 1.00 0.00 C ATOM 718 C THR A 47 -13.481 13.603 3.940 1.00 0.00 C ATOM 719 O THR A 47 -14.571 14.172 3.872 1.00 0.00 O ATOM 720 CB THR A 47 -12.658 13.510 6.293 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.375 14.073 5.991 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.560 12.660 7.551 1.00 0.00 C ATOM 0 H THR A 47 -11.215 11.905 4.927 1.00 0.00 H new ATOM 0 HA THR A 47 -14.064 12.138 5.396 1.00 0.00 H new ATOM 0 HB THR A 47 -13.374 14.313 6.470 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.064 14.606 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.204 13.274 8.378 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.543 12.257 7.795 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.863 11.839 7.382 1.00 0.00 H new ATOM 730 N ASP A 48 -12.528 13.757 3.025 1.00 0.00 N ATOM 731 CA ASP A 48 -12.714 14.623 1.865 1.00 0.00 C ATOM 732 C ASP A 48 -13.741 14.034 0.903 1.00 0.00 C ATOM 733 O ASP A 48 -14.175 14.696 -0.040 1.00 0.00 O ATOM 734 CB ASP A 48 -11.383 14.841 1.145 1.00 0.00 C ATOM 735 CG ASP A 48 -10.662 13.541 0.850 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.287 12.469 0.990 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.470 13.594 0.480 1.00 0.00 O ATOM 0 H ASP A 48 -11.620 13.294 3.064 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.087 15.585 2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.562 15.373 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.743 15.477 1.757 1.00 0.00 H new ATOM 742 N GLY A 49 -14.128 12.786 1.151 1.00 0.00 N ATOM 743 CA GLY A 49 -15.106 12.129 0.302 1.00 0.00 C ATOM 744 C GLY A 49 -14.514 10.997 -0.514 1.00 0.00 C ATOM 745 O GLY A 49 -15.214 10.045 -0.860 1.00 0.00 O ATOM 0 H GLY A 49 -13.782 12.218 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.914 11.740 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.547 12.864 -0.372 1.00 0.00 H new ATOM 749 N SER A 50 -13.224 11.095 -0.824 1.00 0.00 N ATOM 750 CA SER A 50 -12.551 10.063 -1.605 1.00 0.00 C ATOM 751 C SER A 50 -12.274 8.830 -0.751 1.00 0.00 C ATOM 752 O SER A 50 -12.700 8.752 0.400 1.00 0.00 O ATOM 753 CB SER A 50 -11.245 10.598 -2.196 1.00 0.00 C ATOM 754 OG SER A 50 -10.661 11.574 -1.352 1.00 0.00 O ATOM 0 H SER A 50 -12.627 11.875 -0.548 1.00 0.00 H new ATOM 0 HA SER A 50 -13.213 9.776 -2.422 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.545 9.775 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.438 11.031 -3.178 1.00 0.00 H new ATOM 0 HG SER A 50 -10.938 11.414 -0.426 1.00 0.00 H new ATOM 760 N THR A 51 -11.557 7.870 -1.326 1.00 0.00 N ATOM 761 CA THR A 51 -11.216 6.637 -0.627 1.00 0.00 C ATOM 762 C THR A 51 -10.036 5.946 -1.310 1.00 0.00 C ATOM 763 O THR A 51 -9.822 6.121 -2.508 1.00 0.00 O ATOM 764 CB THR A 51 -12.423 5.677 -0.580 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.472 6.246 0.211 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.034 4.321 -0.007 1.00 0.00 C ATOM 0 H THR A 51 -11.199 7.923 -2.280 1.00 0.00 H new ATOM 0 HA THR A 51 -10.938 6.897 0.394 1.00 0.00 H new ATOM 0 HB THR A 51 -12.770 5.530 -1.603 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.174 7.103 0.581 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.908 3.670 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.260 3.872 -0.629 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.656 4.450 1.007 1.00 0.00 H new ATOM 774 N ASP A 52 -9.280 5.157 -0.554 1.00 0.00 N ATOM 775 CA ASP A 52 -8.133 4.440 -1.102 1.00 0.00 C ATOM 776 C ASP A 52 -8.499 3.002 -1.390 1.00 0.00 C ATOM 777 O ASP A 52 -8.495 2.154 -0.498 1.00 0.00 O ATOM 778 CB ASP A 52 -6.952 4.501 -0.134 1.00 0.00 C ATOM 779 CG ASP A 52 -6.580 5.924 0.234 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.319 6.726 -0.687 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.550 6.236 1.443 1.00 0.00 O ATOM 0 H ASP A 52 -9.441 4.997 0.441 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.842 4.920 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.199 3.947 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.091 4.008 -0.584 1.00 0.00 H new ATOM 786 N TYR A 53 -8.823 2.735 -2.646 1.00 0.00 N ATOM 787 CA TYR A 53 -9.202 1.400 -3.047 1.00 0.00 C ATOM 788 C TYR A 53 -8.008 0.593 -3.532 1.00 0.00 C ATOM 789 O TYR A 53 -7.737 0.505 -4.730 1.00 0.00 O ATOM 790 CB TYR A 53 -10.280 1.434 -4.124 1.00 0.00 C ATOM 791 CG TYR A 53 -11.567 2.093 -3.684 1.00 0.00 C ATOM 792 CD1 TYR A 53 -11.754 3.462 -3.824 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.598 1.344 -3.131 1.00 0.00 C ATOM 794 CE1 TYR A 53 -12.931 4.065 -3.427 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.778 1.940 -2.731 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.940 3.301 -2.881 1.00 0.00 C ATOM 797 OH TYR A 53 -15.114 3.899 -2.485 1.00 0.00 O ATOM 0 H TYR A 53 -8.830 3.425 -3.397 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.605 0.908 -2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.892 1.962 -4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.496 0.413 -4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.966 4.065 -4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.475 0.278 -3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.060 5.131 -3.544 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.570 1.343 -2.303 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.721 3.220 -2.123 1.00 0.00 H new ATOM 807 N GLY A 54 -7.325 -0.018 -2.582 1.00 0.00 N ATOM 808 CA GLY A 54 -6.195 -0.866 -2.932 1.00 0.00 C ATOM 809 C GLY A 54 -4.980 -0.766 -2.037 1.00 0.00 C ATOM 810 O GLY A 54 -4.974 -0.063 -1.026 1.00 0.00 O ATOM 0 H GLY A 54 -7.524 0.052 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.533 -1.902 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.890 -0.627 -3.951 1.00 0.00 H new ATOM 814 N ILE A 55 -3.941 -1.492 -2.451 1.00 0.00 N ATOM 815 CA ILE A 55 -2.670 -1.537 -1.747 1.00 0.00 C ATOM 816 C ILE A 55 -1.844 -0.297 -2.064 1.00 0.00 C ATOM 817 O ILE A 55 -0.932 0.067 -1.321 1.00 0.00 O ATOM 818 CB ILE A 55 -1.861 -2.788 -2.159 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.657 -2.982 -1.236 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.408 -2.662 -3.606 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.185 -4.187 -1.594 1.00 0.00 C ATOM 0 H ILE A 55 -3.964 -2.068 -3.292 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.883 -1.577 -0.679 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.504 -3.664 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.034 -2.089 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.008 -3.085 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.839 -3.548 -3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.280 -2.570 -4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.780 -1.778 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.022 -4.265 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.425 -5.088 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.565 -4.076 -2.609 1.00 0.00 H new ATOM 833 N LEU A 56 -2.193 0.363 -3.165 1.00 0.00 N ATOM 834 CA LEU A 56 -1.510 1.579 -3.580 1.00 0.00 C ATOM 835 C LEU A 56 -2.455 2.763 -3.439 1.00 0.00 C ATOM 836 O LEU A 56 -2.138 3.880 -3.845 1.00 0.00 O ATOM 837 CB LEU A 56 -1.009 1.469 -5.029 1.00 0.00 C ATOM 838 CG LEU A 56 0.485 1.773 -5.236 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.909 2.986 -4.422 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.328 0.562 -4.868 1.00 0.00 C ATOM 0 H LEU A 56 -2.948 0.073 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.641 1.726 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.210 0.460 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.590 2.151 -5.649 1.00 0.00 H new ATOM 0 HG LEU A 56 0.644 2.000 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.969 3.181 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.328 3.854 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.734 2.793 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.382 0.793 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.160 0.306 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.047 -0.282 -5.498 1.00 0.00 H new ATOM 852 N GLN A 57 -3.621 2.501 -2.845 1.00 0.00 N ATOM 853 CA GLN A 57 -4.630 3.528 -2.620 1.00 0.00 C ATOM 854 C GLN A 57 -5.169 4.089 -3.931 1.00 0.00 C ATOM 855 O GLN A 57 -4.882 5.234 -4.282 1.00 0.00 O ATOM 856 CB GLN A 57 -4.050 4.661 -1.770 1.00 0.00 C ATOM 857 CG GLN A 57 -3.509 4.197 -0.428 1.00 0.00 C ATOM 858 CD GLN A 57 -3.362 5.333 0.565 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.787 6.375 0.254 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.885 5.136 1.770 1.00 0.00 N ATOM 0 H GLN A 57 -3.888 1.575 -2.510 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.460 3.061 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.250 5.149 -2.326 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.823 5.410 -1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.176 3.441 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.540 3.721 -0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.353 4.256 1.985 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.818 5.865 2.480 1.00 0.00 H new ATOM 869 N ILE A 58 -5.958 3.294 -4.658 1.00 0.00 N ATOM 870 CA ILE A 58 -6.519 3.756 -5.913 1.00 0.00 C ATOM 871 C ILE A 58 -7.828 4.472 -5.658 1.00 0.00 C ATOM 872 O ILE A 58 -8.885 3.844 -5.585 1.00 0.00 O ATOM 873 CB ILE A 58 -6.757 2.596 -6.898 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.609 1.586 -6.829 1.00 0.00 C ATOM 875 CG2 ILE A 58 -6.921 3.133 -8.313 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.234 2.209 -6.958 1.00 0.00 C ATOM 0 H ILE A 58 -6.215 2.342 -4.398 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.798 4.439 -6.363 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.676 2.082 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.667 1.050 -5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.739 0.849 -7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.089 2.303 -9.000 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.774 3.811 -8.348 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.018 3.669 -8.605 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.474 1.429 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.155 2.721 -7.917 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.082 2.925 -6.151 1.00 0.00 H new ATOM 888 N ASN A 59 -7.758 5.787 -5.518 1.00 0.00 N ATOM 889 CA ASN A 59 -8.945 6.577 -5.269 1.00 0.00 C ATOM 890 C ASN A 59 -9.920 6.436 -6.427 1.00 0.00 C ATOM 891 O ASN A 59 -9.758 7.075 -7.465 1.00 0.00 O ATOM 892 CB ASN A 59 -8.574 8.047 -5.072 1.00 0.00 C ATOM 893 CG ASN A 59 -9.777 8.909 -4.746 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.823 8.406 -4.337 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.634 10.217 -4.926 1.00 0.00 N ATOM 0 H ASN A 59 -6.893 6.324 -5.573 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.421 6.212 -4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.843 8.130 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.096 8.422 -5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.410 10.848 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.748 10.591 -5.267 1.00 0.00 H new ATOM 902 N SER A 60 -10.934 5.598 -6.247 1.00 0.00 N ATOM 903 CA SER A 60 -11.935 5.383 -7.287 1.00 0.00 C ATOM 904 C SER A 60 -12.709 6.666 -7.585 1.00 0.00 C ATOM 905 O SER A 60 -13.516 6.710 -8.514 1.00 0.00 O ATOM 906 CB SER A 60 -12.908 4.276 -6.875 1.00 0.00 C ATOM 907 OG SER A 60 -14.018 4.807 -6.173 1.00 0.00 O ATOM 0 H SER A 60 -11.085 5.058 -5.395 1.00 0.00 H new ATOM 0 HA SER A 60 -11.410 5.079 -8.192 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.255 3.744 -7.761 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.392 3.549 -6.248 1.00 0.00 H new ATOM 0 HG SER A 60 -13.897 4.662 -5.211 1.00 0.00 H new ATOM 913 N ARG A 61 -12.454 7.711 -6.801 1.00 0.00 N ATOM 914 CA ARG A 61 -13.124 8.991 -6.996 1.00 0.00 C ATOM 915 C ARG A 61 -12.349 9.852 -7.988 1.00 0.00 C ATOM 916 O ARG A 61 -12.915 10.380 -8.945 1.00 0.00 O ATOM 917 CB ARG A 61 -13.268 9.729 -5.664 1.00 0.00 C ATOM 918 CG ARG A 61 -14.436 10.701 -5.630 1.00 0.00 C ATOM 919 CD ARG A 61 -13.980 12.128 -5.889 1.00 0.00 C ATOM 920 NE ARG A 61 -14.814 13.104 -5.194 1.00 0.00 N ATOM 921 CZ ARG A 61 -14.687 14.419 -5.340 1.00 0.00 C ATOM 922 NH1 ARG A 61 -13.763 14.914 -6.151 1.00 0.00 N ATOM 923 NH2 ARG A 61 -15.486 15.242 -4.672 1.00 0.00 N ATOM 0 H ARG A 61 -11.790 7.695 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.118 8.799 -7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.391 8.998 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.347 10.274 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.173 10.412 -6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.929 10.646 -4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.945 12.242 -5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.005 12.328 -6.960 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.535 12.757 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.146 14.285 -6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.669 15.924 -6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.198 14.865 -4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.388 16.251 -4.784 1.00 0.00 H new ATOM 937 N TRP A 62 -11.046 9.979 -7.755 1.00 0.00 N ATOM 938 CA TRP A 62 -10.185 10.766 -8.629 1.00 0.00 C ATOM 939 C TRP A 62 -9.652 9.908 -9.772 1.00 0.00 C ATOM 940 O TRP A 62 -9.086 10.421 -10.735 1.00 0.00 O ATOM 941 CB TRP A 62 -9.021 11.362 -7.837 1.00 0.00 C ATOM 942 CG TRP A 62 -9.052 12.858 -7.767 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.540 13.732 -8.682 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.626 13.657 -6.726 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.760 15.025 -8.273 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.424 15.006 -7.075 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.290 13.362 -5.532 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.864 16.057 -6.274 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -10.726 14.406 -4.737 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.512 15.739 -5.112 1.00 0.00 C ATOM 0 H TRP A 62 -10.564 9.546 -6.967 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.778 11.578 -9.049 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.036 10.958 -6.825 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.082 11.047 -8.292 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.036 13.449 -9.594 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.475 15.863 -8.779 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.459 12.337 -5.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.700 17.085 -6.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.240 14.190 -3.812 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.866 16.532 -4.470 1.00 0.00 H new ATOM 961 N TRP A 63 -9.853 8.598 -9.657 1.00 0.00 N ATOM 962 CA TRP A 63 -9.406 7.656 -10.679 1.00 0.00 C ATOM 963 C TRP A 63 -10.456 6.578 -10.906 1.00 0.00 C ATOM 964 O TRP A 63 -11.254 6.288 -10.019 1.00 0.00 O ATOM 965 CB TRP A 63 -8.090 6.985 -10.272 1.00 0.00 C ATOM 966 CG TRP A 63 -7.022 7.942 -9.847 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.426 8.033 -8.621 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.420 8.942 -10.662 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.483 9.035 -8.632 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.463 9.609 -9.877 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.604 9.332 -11.981 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.690 10.652 -10.382 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.846 10.362 -12.483 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.896 11.017 -11.686 1.00 0.00 C ATOM 0 H TRP A 63 -10.324 8.164 -8.863 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.251 8.220 -11.599 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.286 6.290 -9.455 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.721 6.395 -11.111 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.660 7.411 -7.770 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.895 9.306 -7.844 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.332 8.833 -12.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.956 11.154 -9.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.984 10.672 -13.508 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.316 11.824 -12.108 1.00 0.00 H new ATOM 985 N CYS A 64 -10.411 5.966 -12.086 1.00 0.00 N ATOM 986 CA CYS A 64 -11.321 4.880 -12.458 1.00 0.00 C ATOM 987 C CYS A 64 -12.788 5.190 -12.180 1.00 0.00 C ATOM 988 O CYS A 64 -13.131 5.965 -11.289 1.00 0.00 O ATOM 989 CB CYS A 64 -10.921 3.586 -11.737 1.00 0.00 C ATOM 990 SG CYS A 64 -11.622 3.401 -10.060 1.00 0.00 S ATOM 0 H CYS A 64 -9.741 6.208 -12.816 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.226 4.759 -13.537 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.235 2.736 -12.343 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.834 3.545 -11.669 1.00 0.00 H new ATOM 995 N ASN A 65 -13.659 4.558 -12.959 1.00 0.00 N ATOM 996 CA ASN A 65 -15.097 4.743 -12.805 1.00 0.00 C ATOM 997 C ASN A 65 -15.683 3.639 -11.931 1.00 0.00 C ATOM 998 O ASN A 65 -15.809 2.493 -12.364 1.00 0.00 O ATOM 999 CB ASN A 65 -15.785 4.749 -14.172 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.162 5.379 -14.123 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.158 4.705 -13.855 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.228 6.680 -14.383 1.00 0.00 N ATOM 0 H ASN A 65 -13.394 3.913 -13.704 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.270 5.704 -12.322 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.165 5.292 -14.885 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.869 3.726 -14.538 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.129 7.159 -14.365 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.378 7.200 -14.600 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.031 3.989 -10.697 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.593 3.023 -9.760 1.00 0.00 C ATOM 1011 C ASP A 66 -18.119 3.039 -9.797 1.00 0.00 C ATOM 1012 O ASP A 66 -18.766 2.042 -9.474 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.100 3.312 -8.341 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.714 4.569 -7.759 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.505 5.655 -8.341 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.401 4.469 -6.721 1.00 0.00 O ATOM 0 H ASP A 66 -15.934 4.933 -10.323 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.257 2.031 -10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.337 2.464 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.015 3.412 -8.350 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.689 4.173 -10.196 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.136 4.289 -10.272 1.00 0.00 C ATOM 1023 C GLY A 67 -20.800 4.364 -8.909 1.00 0.00 C ATOM 1024 O GLY A 67 -21.966 4.745 -8.804 1.00 0.00 O ATOM 0 H GLY A 67 -18.176 5.012 -10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.393 5.180 -10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.535 3.434 -10.817 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.063 3.996 -7.864 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.597 4.022 -6.507 1.00 0.00 C ATOM 1030 C ARG A 68 -20.338 5.369 -5.841 1.00 0.00 C ATOM 1031 O ARG A 68 -20.822 5.630 -4.740 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.977 2.899 -5.672 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.869 1.676 -5.539 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.612 1.670 -4.213 1.00 0.00 C ATOM 1035 NE ARG A 68 -20.713 1.455 -3.083 1.00 0.00 N ATOM 1036 CZ ARG A 68 -20.759 0.383 -2.297 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -21.656 -0.569 -2.519 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -19.905 0.261 -1.289 1.00 0.00 N ATOM 0 H ARG A 68 -19.096 3.677 -7.932 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.675 3.871 -6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.031 2.601 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.748 3.281 -4.677 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.586 1.657 -6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.265 0.773 -5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -22.134 2.618 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -22.371 0.888 -4.226 1.00 0.00 H new ATOM 0 HE ARG A 68 -20.010 2.167 -2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -22.313 -0.480 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -21.689 -1.390 -1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.212 0.990 -1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.941 -0.561 -0.687 1.00 0.00 H new ATOM 1052 N THR A 69 -19.571 6.220 -6.515 1.00 0.00 N ATOM 1053 CA THR A 69 -19.248 7.539 -5.985 1.00 0.00 C ATOM 1054 C THR A 69 -19.648 8.639 -6.968 1.00 0.00 C ATOM 1055 O THR A 69 -18.938 8.900 -7.939 1.00 0.00 O ATOM 1056 CB THR A 69 -17.746 7.668 -5.673 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.300 6.528 -4.928 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.464 8.936 -4.881 1.00 0.00 C ATOM 0 H THR A 69 -19.162 6.020 -7.428 1.00 0.00 H new ATOM 0 HA THR A 69 -19.814 7.656 -5.061 1.00 0.00 H new ATOM 0 HB THR A 69 -17.206 7.720 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.232 5.754 -5.525 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.396 9.005 -4.673 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.777 9.804 -5.461 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.016 8.908 -3.941 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.795 9.299 -6.726 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.285 10.374 -7.596 1.00 0.00 C ATOM 1068 C PRO A 70 -20.249 11.476 -7.792 1.00 0.00 C ATOM 1069 O PRO A 70 -20.047 12.314 -6.913 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.507 10.916 -6.848 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.953 9.789 -5.981 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.704 9.050 -5.592 1.00 0.00 C ATOM 0 HA PRO A 70 -21.512 10.012 -8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.251 11.794 -6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.293 11.218 -7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.479 10.158 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.644 9.136 -6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.291 9.424 -4.655 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.893 7.985 -5.454 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.595 11.466 -8.949 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.587 12.469 -9.240 1.00 0.00 C ATOM 1082 C GLY A 71 -17.296 11.861 -9.754 1.00 0.00 C ATOM 1083 O GLY A 71 -16.270 12.538 -9.823 1.00 0.00 O ATOM 0 H GLY A 71 -19.745 10.781 -9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.977 13.167 -9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.380 13.044 -8.338 1.00 0.00 H new ATOM 1087 N SER A 72 -17.348 10.582 -10.116 1.00 0.00 N ATOM 1088 CA SER A 72 -16.174 9.884 -10.628 1.00 0.00 C ATOM 1089 C SER A 72 -15.656 10.555 -11.896 1.00 0.00 C ATOM 1090 O SER A 72 -16.364 10.639 -12.900 1.00 0.00 O ATOM 1091 CB SER A 72 -16.510 8.419 -10.914 1.00 0.00 C ATOM 1092 OG SER A 72 -15.422 7.572 -10.585 1.00 0.00 O ATOM 0 H SER A 72 -18.190 10.009 -10.064 1.00 0.00 H new ATOM 0 HA SER A 72 -15.394 9.928 -9.868 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.389 8.126 -10.341 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.762 8.300 -11.968 1.00 0.00 H new ATOM 0 HG SER A 72 -15.696 6.945 -9.883 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.418 11.035 -11.842 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.805 11.702 -12.985 1.00 0.00 C ATOM 1100 C ARG A 73 -13.499 10.708 -14.101 1.00 0.00 C ATOM 1101 O ARG A 73 -13.710 11.001 -15.279 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.521 12.416 -12.557 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.431 13.852 -13.046 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.297 14.827 -11.888 1.00 0.00 C ATOM 1105 NE ARG A 73 -13.457 15.707 -11.775 1.00 0.00 N ATOM 1106 CZ ARG A 73 -13.391 16.964 -11.347 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.225 17.488 -10.991 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -14.492 17.699 -11.273 1.00 0.00 N ATOM 0 H ARG A 73 -13.819 10.975 -11.018 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.514 12.437 -13.365 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.456 12.407 -11.469 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.663 11.859 -12.933 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.575 13.957 -13.713 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.320 14.096 -13.627 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.172 14.271 -10.959 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.398 15.428 -12.023 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.370 15.336 -12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.375 16.926 -11.045 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.178 18.453 -10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.391 17.300 -11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.440 18.663 -10.944 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.987 9.538 -13.720 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.633 8.496 -14.684 1.00 0.00 C ATOM 1124 C ASN A 74 -11.420 8.931 -15.490 1.00 0.00 C ATOM 1125 O ASN A 74 -11.307 8.645 -16.682 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.812 8.192 -15.615 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.662 6.857 -16.319 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.218 5.846 -15.582 1.00 0.00 O flip ATOM 1129 ND2 ASN A 74 -13.944 6.736 -17.511 1.00 0.00 N flip ATOM 0 H ASN A 74 -12.808 9.287 -12.748 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.390 7.584 -14.138 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.737 8.194 -15.038 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.898 8.984 -16.359 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.282 7.540 -18.039 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.840 5.831 -17.970 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.504 9.605 -14.808 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.274 10.076 -15.402 1.00 0.00 C ATOM 1138 C LEU A 75 -8.463 8.923 -15.921 1.00 0.00 C ATOM 1139 O LEU A 75 -8.038 8.873 -17.075 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.474 10.755 -14.315 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.655 12.269 -14.218 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.978 12.817 -12.972 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.119 12.955 -15.466 1.00 0.00 C ATOM 0 H LEU A 75 -10.600 9.839 -13.820 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.503 10.752 -16.226 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.745 10.311 -13.357 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.417 10.542 -14.478 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.722 12.478 -14.143 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.121 13.897 -12.925 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.415 12.355 -12.087 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.912 12.593 -13.009 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.257 14.032 -15.377 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.057 12.733 -15.575 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.658 12.591 -16.341 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.273 8.008 -15.015 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.535 6.807 -15.257 1.00 0.00 C ATOM 1157 C CYS A 76 -8.287 5.928 -16.245 1.00 0.00 C ATOM 1158 O CYS A 76 -7.687 5.223 -17.057 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.362 6.116 -13.927 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.681 5.509 -13.596 1.00 0.00 S ATOM 0 H CYS A 76 -8.637 8.080 -14.065 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.560 7.021 -15.694 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.646 6.808 -13.134 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.053 5.275 -13.878 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.615 5.982 -16.157 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.477 5.194 -17.029 1.00 0.00 C ATOM 1167 C ASN A 77 -10.108 3.726 -16.915 1.00 0.00 C ATOM 1168 O ASN A 77 -9.843 3.054 -17.912 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.348 5.664 -18.480 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.457 5.126 -19.363 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.531 4.764 -18.882 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -11.202 5.069 -20.666 1.00 0.00 N ATOM 0 H ASN A 77 -10.116 6.566 -15.488 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.513 5.329 -16.719 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.361 6.754 -18.509 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.384 5.346 -18.878 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.910 4.715 -21.309 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.298 5.379 -21.023 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.071 3.244 -15.680 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.708 1.864 -15.414 1.00 0.00 C ATOM 1181 C ILE A 78 -10.769 1.153 -14.581 1.00 0.00 C ATOM 1182 O ILE A 78 -11.564 1.796 -13.899 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.351 1.784 -14.680 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.558 1.545 -13.174 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.563 3.056 -14.930 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.533 2.221 -12.286 1.00 0.00 C ATOM 0 H ILE A 78 -10.289 3.791 -14.847 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.630 1.365 -16.380 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.784 0.939 -15.070 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.551 1.898 -12.896 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.536 0.472 -12.982 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.606 2.999 -14.412 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.390 3.173 -16.000 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.126 3.912 -14.558 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.754 2.000 -11.242 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.538 1.851 -12.532 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.569 3.299 -12.444 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.778 -0.190 -14.594 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.720 -0.963 -13.800 1.00 0.00 C ATOM 1200 C PRO A 79 -11.247 -1.032 -12.353 1.00 0.00 C ATOM 1201 O PRO A 79 -10.217 -1.639 -12.058 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.682 -2.340 -14.458 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.301 -2.456 -15.012 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.852 -1.055 -15.353 1.00 0.00 C ATOM 0 HA PRO A 79 -12.724 -0.538 -13.772 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.887 -3.130 -13.736 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.433 -2.424 -15.244 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.629 -2.912 -14.285 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.291 -3.092 -15.897 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.816 -0.885 -15.060 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.915 -0.865 -16.424 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.981 -0.383 -11.458 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.610 -0.349 -10.049 1.00 0.00 C ATOM 1214 C CYS A 80 -11.622 -1.743 -9.422 1.00 0.00 C ATOM 1215 O CYS A 80 -10.592 -2.223 -8.954 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.545 0.595 -9.291 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.104 2.026 -10.280 1.00 0.00 S ATOM 0 H CYS A 80 -12.836 0.126 -11.682 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.588 0.023 -9.978 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.417 0.035 -8.954 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.035 0.958 -8.399 1.00 0.00 H new ATOM 1222 N SER A 81 -12.787 -2.381 -9.400 1.00 0.00 N ATOM 1223 CA SER A 81 -12.924 -3.715 -8.812 1.00 0.00 C ATOM 1224 C SER A 81 -11.891 -4.697 -9.372 1.00 0.00 C ATOM 1225 O SER A 81 -11.517 -5.660 -8.703 1.00 0.00 O ATOM 1226 CB SER A 81 -14.334 -4.256 -9.056 1.00 0.00 C ATOM 1227 OG SER A 81 -14.563 -4.483 -10.435 1.00 0.00 O ATOM 0 H SER A 81 -13.652 -1.999 -9.782 1.00 0.00 H new ATOM 0 HA SER A 81 -12.747 -3.618 -7.741 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.470 -5.186 -8.504 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.069 -3.548 -8.674 1.00 0.00 H new ATOM 0 HG SER A 81 -15.470 -4.830 -10.563 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.440 -4.456 -10.600 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.458 -5.331 -11.240 1.00 0.00 C ATOM 1235 C ALA A 82 -9.104 -5.273 -10.536 1.00 0.00 C ATOM 1236 O ALA A 82 -8.175 -5.998 -10.894 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.304 -4.965 -12.708 1.00 0.00 C ATOM 0 H ALA A 82 -11.737 -3.665 -11.172 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.827 -6.354 -11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.570 -5.624 -13.172 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.263 -5.077 -13.213 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.968 -3.931 -12.792 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.999 -4.407 -9.535 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.758 -4.254 -8.782 1.00 0.00 C ATOM 1245 C LEU A 83 -7.910 -4.785 -7.362 1.00 0.00 C ATOM 1246 O LEU A 83 -6.924 -4.949 -6.643 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.327 -2.782 -8.748 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.911 -1.947 -7.605 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.940 -1.886 -6.437 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.250 -0.546 -8.089 1.00 0.00 C ATOM 0 H LEU A 83 -9.758 -3.800 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.988 -4.837 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.240 -2.742 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.608 -2.318 -9.693 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.829 -2.426 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.373 -1.288 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.745 -2.895 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.005 -1.431 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.664 0.034 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.347 -0.060 -8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.983 -0.606 -8.894 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.149 -5.036 -6.957 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.430 -5.529 -5.616 1.00 0.00 C ATOM 1264 C LEU A 84 -9.696 -7.030 -5.619 1.00 0.00 C ATOM 1265 O LEU A 84 -10.560 -7.521 -4.890 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.625 -4.773 -5.042 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.767 -3.344 -5.564 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.210 -2.879 -5.481 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.851 -2.403 -4.795 1.00 0.00 C ATOM 0 H LEU A 84 -9.976 -4.906 -7.540 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.555 -5.356 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.536 -5.325 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.536 -4.745 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.470 -3.332 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.286 -1.859 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.839 -3.536 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.542 -2.908 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.965 -1.389 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.115 -2.422 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.816 -2.723 -4.916 1.00 0.00 H new ATOM 1281 N SER A 85 -8.938 -7.754 -6.433 1.00 0.00 N ATOM 1282 CA SER A 85 -9.079 -9.205 -6.520 1.00 0.00 C ATOM 1283 C SER A 85 -7.729 -9.881 -6.360 1.00 0.00 C ATOM 1284 O SER A 85 -7.415 -10.864 -7.033 1.00 0.00 O ATOM 1285 CB SER A 85 -9.729 -9.611 -7.845 1.00 0.00 C ATOM 1286 OG SER A 85 -9.684 -8.547 -8.781 1.00 0.00 O ATOM 0 H SER A 85 -8.220 -7.362 -7.042 1.00 0.00 H new ATOM 0 HA SER A 85 -9.729 -9.533 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.216 -10.482 -8.254 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.765 -9.904 -7.671 1.00 0.00 H new ATOM 0 HG SER A 85 -10.104 -8.831 -9.620 1.00 0.00 H new ATOM 1292 N SER A 86 -6.936 -9.315 -5.468 1.00 0.00 N ATOM 1293 CA SER A 86 -5.590 -9.804 -5.182 1.00 0.00 C ATOM 1294 C SER A 86 -4.727 -9.550 -6.396 1.00 0.00 C ATOM 1295 O SER A 86 -3.713 -10.210 -6.626 1.00 0.00 O ATOM 1296 CB SER A 86 -5.604 -11.295 -4.834 1.00 0.00 C ATOM 1297 OG SER A 86 -4.339 -11.721 -4.360 1.00 0.00 O ATOM 0 H SER A 86 -7.204 -8.500 -4.917 1.00 0.00 H new ATOM 0 HA SER A 86 -5.187 -9.277 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.363 -11.487 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.879 -11.874 -5.715 1.00 0.00 H new ATOM 0 HG SER A 86 -3.632 -11.309 -4.899 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.185 -8.593 -7.181 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.539 -8.210 -8.414 1.00 0.00 C ATOM 1305 C ASP A 87 -4.141 -6.742 -8.381 1.00 0.00 C ATOM 1306 O ASP A 87 -5.002 -5.863 -8.342 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.524 -8.458 -9.544 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.875 -8.418 -10.913 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.886 -9.151 -11.123 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.356 -7.654 -11.776 1.00 0.00 O ATOM 0 H ASP A 87 -6.027 -8.055 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.630 -8.794 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.997 -9.430 -9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.315 -7.709 -9.501 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.840 -6.472 -8.400 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.361 -5.098 -8.373 1.00 0.00 C ATOM 1317 C ILE A 88 -2.278 -4.520 -9.777 1.00 0.00 C ATOM 1318 O ILE A 88 -1.994 -3.340 -9.945 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.977 -4.979 -7.707 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.136 -6.229 -7.975 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.129 -4.743 -6.214 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.349 -5.954 -8.040 1.00 0.00 C ATOM 0 H ILE A 88 -2.106 -7.180 -8.434 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.084 -4.534 -7.783 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.458 -4.125 -8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.328 -6.961 -7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.456 -6.678 -8.915 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.143 -4.661 -5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.685 -3.821 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.668 -5.578 -5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.883 -6.884 -8.233 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.553 -5.245 -8.843 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.683 -5.534 -7.091 1.00 0.00 H new ATOM 1334 N THR A 89 -2.508 -5.358 -10.783 1.00 0.00 N ATOM 1335 CA THR A 89 -2.446 -4.919 -12.173 1.00 0.00 C ATOM 1336 C THR A 89 -3.217 -3.620 -12.387 1.00 0.00 C ATOM 1337 O THR A 89 -2.652 -2.625 -12.836 1.00 0.00 O ATOM 1338 CB THR A 89 -3.001 -5.993 -13.125 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.568 -7.293 -12.705 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.541 -5.740 -14.554 1.00 0.00 C ATOM 0 H THR A 89 -2.739 -6.344 -10.662 1.00 0.00 H new ATOM 0 HA THR A 89 -1.393 -4.748 -12.398 1.00 0.00 H new ATOM 0 HB THR A 89 -4.089 -5.945 -13.095 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.927 -7.970 -13.315 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.946 -6.512 -15.209 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.895 -4.763 -14.883 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.452 -5.764 -14.595 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.511 -3.639 -12.079 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.352 -2.470 -12.253 1.00 0.00 C ATOM 1350 C ALA A 90 -4.905 -1.307 -11.366 1.00 0.00 C ATOM 1351 O ALA A 90 -4.825 -0.165 -11.821 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.806 -2.822 -11.980 1.00 0.00 C ATOM 0 H ALA A 90 -4.996 -4.456 -11.707 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.253 -2.144 -13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.426 -1.936 -12.114 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.129 -3.599 -12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.907 -3.184 -10.957 1.00 0.00 H new ATOM 1358 N SER A 91 -4.603 -1.605 -10.104 1.00 0.00 N ATOM 1359 CA SER A 91 -4.155 -0.583 -9.160 1.00 0.00 C ATOM 1360 C SER A 91 -2.848 0.042 -9.614 1.00 0.00 C ATOM 1361 O SER A 91 -2.610 1.236 -9.415 1.00 0.00 O ATOM 1362 CB SER A 91 -3.979 -1.189 -7.766 1.00 0.00 C ATOM 1363 OG SER A 91 -4.086 -2.602 -7.805 1.00 0.00 O ATOM 0 H SER A 91 -4.660 -2.545 -9.712 1.00 0.00 H new ATOM 0 HA SER A 91 -4.917 0.195 -9.121 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.006 -0.906 -7.364 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.733 -0.783 -7.092 1.00 0.00 H new ATOM 0 HG SER A 91 -4.128 -2.952 -6.891 1.00 0.00 H new ATOM 1369 N VAL A 92 -2.004 -0.767 -10.230 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.729 -0.276 -10.705 1.00 0.00 C ATOM 1371 C VAL A 92 -0.903 0.533 -11.969 1.00 0.00 C ATOM 1372 O VAL A 92 -0.397 1.634 -12.059 1.00 0.00 O ATOM 1373 CB VAL A 92 0.303 -1.385 -10.971 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.506 -0.803 -11.709 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.733 -2.042 -9.667 1.00 0.00 C ATOM 0 H VAL A 92 -2.178 -1.756 -10.410 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.343 0.346 -9.898 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.154 -2.152 -11.596 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.235 -1.592 -11.896 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.180 -0.378 -12.658 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.963 -0.023 -11.101 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.463 -2.824 -9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.180 -1.294 -9.013 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.136 -2.480 -9.176 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.620 -0.011 -12.941 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.843 0.687 -14.180 1.00 0.00 C ATOM 1387 C ASN A 93 -2.191 2.141 -13.911 1.00 0.00 C ATOM 1388 O ASN A 93 -1.685 3.054 -14.569 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.940 -0.003 -14.971 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.099 0.914 -15.311 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -5.057 1.032 -14.545 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.020 1.567 -16.463 1.00 0.00 N ATOM 0 H ASN A 93 -2.053 -0.933 -12.888 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.929 0.667 -14.773 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.518 -0.402 -15.894 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.313 -0.852 -14.398 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.771 2.197 -16.745 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.208 1.439 -17.067 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.045 2.345 -12.918 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.454 3.681 -12.541 1.00 0.00 C ATOM 1401 C CYS A 94 -2.273 4.470 -11.993 1.00 0.00 C ATOM 1402 O CYS A 94 -2.050 5.613 -12.389 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.574 3.633 -11.507 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.719 5.041 -11.620 1.00 0.00 S ATOM 0 H CYS A 94 -3.465 1.600 -12.362 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.826 4.182 -13.434 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.135 2.707 -11.632 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.137 3.609 -10.509 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.515 3.862 -11.080 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.362 4.542 -10.496 1.00 0.00 C ATOM 1411 C ALA A 95 0.740 4.718 -11.526 1.00 0.00 C ATOM 1412 O ALA A 95 1.376 5.760 -11.577 1.00 0.00 O ATOM 1413 CB ALA A 95 0.157 3.814 -9.282 1.00 0.00 C ATOM 0 H ALA A 95 -1.675 2.916 -10.734 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.694 5.528 -10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.015 4.350 -8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.628 3.759 -8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.460 2.806 -9.564 1.00 0.00 H new ATOM 1419 N LYS A 96 0.945 3.708 -12.365 1.00 0.00 N ATOM 1420 CA LYS A 96 1.945 3.795 -13.412 1.00 0.00 C ATOM 1421 C LYS A 96 1.700 5.103 -14.151 1.00 0.00 C ATOM 1422 O LYS A 96 2.621 5.809 -14.568 1.00 0.00 O ATOM 1423 CB LYS A 96 1.826 2.611 -14.375 1.00 0.00 C ATOM 1424 CG LYS A 96 2.906 1.559 -14.183 1.00 0.00 C ATOM 1425 CD LYS A 96 3.095 0.719 -15.435 1.00 0.00 C ATOM 1426 CE LYS A 96 2.217 -0.522 -15.412 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.645 -1.525 -16.425 1.00 0.00 N ATOM 0 H LYS A 96 0.433 2.826 -12.337 1.00 0.00 H new ATOM 0 HA LYS A 96 2.949 3.767 -12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.849 2.145 -14.245 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.869 2.981 -15.399 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.847 2.045 -13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.641 0.912 -13.347 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.858 1.317 -16.315 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.141 0.424 -15.522 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.250 -0.972 -14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.181 -0.237 -15.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.898 -2.238 -16.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.818 -1.049 -17.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.519 -1.989 -16.106 1.00 0.00 H new ATOM 1441 N LYS A 97 0.411 5.419 -14.241 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.051 6.649 -14.861 1.00 0.00 C ATOM 1443 C LYS A 97 0.073 7.801 -13.871 1.00 0.00 C ATOM 1444 O LYS A 97 0.357 8.936 -14.255 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.500 6.505 -15.329 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.637 5.825 -16.682 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.115 6.797 -17.748 1.00 0.00 C ATOM 1448 CE LYS A 97 -1.069 6.988 -18.835 1.00 0.00 C ATOM 1449 NZ LYS A 97 -1.566 6.551 -20.168 1.00 0.00 N ATOM 0 H LYS A 97 -0.340 4.827 -13.885 1.00 0.00 H new ATOM 0 HA LYS A 97 0.569 6.858 -15.733 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.058 5.934 -14.587 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.957 7.493 -15.380 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.676 5.403 -16.977 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.339 4.995 -16.604 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.039 6.427 -18.192 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.344 7.759 -17.289 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.782 8.038 -18.881 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.172 6.423 -18.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.823 6.698 -20.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.816 5.542 -20.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.406 7.107 -20.425 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.123 7.494 -12.588 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.014 8.499 -11.541 1.00 0.00 C ATOM 1465 C ILE A 98 1.405 9.064 -11.495 1.00 0.00 C ATOM 1466 O ILE A 98 1.609 10.278 -11.501 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.392 7.939 -10.154 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.884 7.590 -10.115 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.060 8.950 -9.065 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.304 6.853 -8.861 1.00 0.00 C ATOM 0 H ILE A 98 -0.357 6.559 -12.254 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.720 9.293 -11.784 1.00 0.00 H new ATOM 0 HB ILE A 98 0.187 7.033 -9.974 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.465 8.508 -10.198 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.128 6.979 -10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.333 8.540 -8.093 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.008 9.165 -9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.618 9.870 -9.240 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.372 6.640 -8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.750 5.917 -8.786 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.093 7.470 -7.988 1.00 0.00 H new ATOM 1482 N VAL A 99 2.375 8.159 -11.447 1.00 0.00 N ATOM 1483 CA VAL A 99 3.781 8.530 -11.396 1.00 0.00 C ATOM 1484 C VAL A 99 4.269 9.049 -12.746 1.00 0.00 C ATOM 1485 O VAL A 99 5.228 9.818 -12.811 1.00 0.00 O ATOM 1486 CB VAL A 99 4.656 7.347 -10.942 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.008 6.440 -12.113 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.912 7.854 -10.250 1.00 0.00 C ATOM 0 H VAL A 99 2.209 7.153 -11.442 1.00 0.00 H new ATOM 0 HA VAL A 99 3.873 9.332 -10.663 1.00 0.00 H new ATOM 0 HB VAL A 99 4.083 6.754 -10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.626 5.614 -11.761 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.093 6.045 -12.555 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.557 7.010 -12.863 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.521 7.007 -9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.483 8.474 -10.941 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.633 8.445 -9.378 1.00 0.00 H new ATOM 1498 N SER A 100 3.592 8.646 -13.820 1.00 0.00 N ATOM 1499 CA SER A 100 3.956 9.101 -15.157 1.00 0.00 C ATOM 1500 C SER A 100 3.334 10.467 -15.428 1.00 0.00 C ATOM 1501 O SER A 100 3.677 11.141 -16.400 1.00 0.00 O ATOM 1502 CB SER A 100 3.494 8.096 -16.213 1.00 0.00 C ATOM 1503 OG SER A 100 4.073 8.380 -17.475 1.00 0.00 O ATOM 0 H SER A 100 2.795 8.010 -13.790 1.00 0.00 H new ATOM 0 HA SER A 100 5.041 9.184 -15.212 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.766 7.087 -15.903 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.407 8.122 -16.294 1.00 0.00 H new ATOM 0 HG SER A 100 4.286 9.335 -17.530 1.00 0.00 H new ATOM 1509 N ASP A 101 2.416 10.864 -14.552 1.00 0.00 N ATOM 1510 CA ASP A 101 1.734 12.147 -14.675 1.00 0.00 C ATOM 1511 C ASP A 101 2.436 13.220 -13.846 1.00 0.00 C ATOM 1512 O ASP A 101 2.055 14.389 -13.878 1.00 0.00 O ATOM 1513 CB ASP A 101 0.275 12.020 -14.234 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.664 12.836 -15.100 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.805 14.050 -14.842 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.259 12.262 -16.037 1.00 0.00 O ATOM 0 H ASP A 101 2.126 10.312 -13.745 1.00 0.00 H new ATOM 0 HA ASP A 101 1.764 12.445 -15.723 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.022 10.972 -14.268 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.182 12.344 -13.197 1.00 0.00 H new ATOM 1521 N GLY A 102 3.464 12.813 -13.107 1.00 0.00 N ATOM 1522 CA GLY A 102 4.204 13.754 -12.284 1.00 0.00 C ATOM 1523 C GLY A 102 4.148 13.411 -10.807 1.00 0.00 C ATOM 1524 O GLY A 102 5.079 13.713 -10.059 1.00 0.00 O ATOM 0 H GLY A 102 3.798 11.850 -13.063 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.244 13.774 -12.609 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.803 14.756 -12.435 1.00 0.00 H new ATOM 1528 N ASN A 103 3.057 12.782 -10.385 1.00 0.00 N ATOM 1529 CA ASN A 103 2.886 12.402 -8.986 1.00 0.00 C ATOM 1530 C ASN A 103 3.744 11.189 -8.638 1.00 0.00 C ATOM 1531 O ASN A 103 3.350 10.048 -8.877 1.00 0.00 O ATOM 1532 CB ASN A 103 1.414 12.101 -8.694 1.00 0.00 C ATOM 1533 CG ASN A 103 0.686 13.294 -8.107 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.154 13.915 -7.154 1.00 0.00 O ATOM 1535 ND2 ASN A 103 -0.468 13.620 -8.676 1.00 0.00 N ATOM 0 H ASN A 103 2.278 12.524 -10.990 1.00 0.00 H new ATOM 0 HA ASN A 103 3.209 13.240 -8.368 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.919 11.794 -9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.348 11.262 -8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.004 14.414 -8.324 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.819 13.077 -9.465 1.00 0.00 H new ATOM 1542 N GLY A 104 4.915 11.446 -8.062 1.00 0.00 N ATOM 1543 CA GLY A 104 5.810 10.366 -7.683 1.00 0.00 C ATOM 1544 C GLY A 104 5.350 9.649 -6.429 1.00 0.00 C ATOM 1545 O GLY A 104 4.151 9.527 -6.185 1.00 0.00 O ATOM 0 H GLY A 104 5.260 12.382 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.880 9.651 -8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.811 10.766 -7.523 1.00 0.00 H new ATOM 1549 N MET A 105 6.304 9.193 -5.622 1.00 0.00 N ATOM 1550 CA MET A 105 5.993 8.504 -4.379 1.00 0.00 C ATOM 1551 C MET A 105 5.521 9.513 -3.351 1.00 0.00 C ATOM 1552 O MET A 105 5.102 9.157 -2.250 1.00 0.00 O ATOM 1553 CB MET A 105 7.228 7.771 -3.852 1.00 0.00 C ATOM 1554 CG MET A 105 8.176 7.304 -4.946 1.00 0.00 C ATOM 1555 SD MET A 105 7.419 6.105 -6.059 1.00 0.00 S ATOM 1556 CE MET A 105 6.438 5.150 -4.906 1.00 0.00 C ATOM 0 H MET A 105 7.302 9.290 -5.810 1.00 0.00 H new ATOM 0 HA MET A 105 5.207 7.773 -4.565 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.768 8.430 -3.173 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.906 6.908 -3.270 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.512 8.166 -5.522 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.061 6.861 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.198 4.182 -5.347 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.002 5.000 -3.986 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.515 5.686 -4.682 1.00 0.00 H new ATOM 1566 N ASN A 106 5.606 10.779 -3.730 1.00 0.00 N ATOM 1567 CA ASN A 106 5.209 11.874 -2.869 1.00 0.00 C ATOM 1568 C ASN A 106 3.691 11.966 -2.763 1.00 0.00 C ATOM 1569 O ASN A 106 3.156 12.346 -1.721 1.00 0.00 O ATOM 1570 CB ASN A 106 5.781 13.177 -3.419 1.00 0.00 C ATOM 1571 CG ASN A 106 7.072 12.964 -4.185 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.080 12.939 -5.415 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.173 12.806 -3.458 1.00 0.00 N ATOM 0 H ASN A 106 5.952 11.072 -4.643 1.00 0.00 H new ATOM 0 HA ASN A 106 5.601 11.695 -1.868 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.046 13.645 -4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.960 13.868 -2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.071 12.657 -3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.120 12.834 -2.440 1.00 0.00 H new ATOM 1580 N ALA A 107 3.001 11.615 -3.847 1.00 0.00 N ATOM 1581 CA ALA A 107 1.542 11.658 -3.871 1.00 0.00 C ATOM 1582 C ALA A 107 0.962 10.906 -2.681 1.00 0.00 C ATOM 1583 O ALA A 107 0.074 11.403 -1.987 1.00 0.00 O ATOM 1584 CB ALA A 107 1.018 11.075 -5.174 1.00 0.00 C ATOM 0 H ALA A 107 3.428 11.299 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 107 1.227 12.699 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.071 11.114 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.405 11.654 -6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.345 10.039 -5.267 1.00 0.00 H new ATOM 1590 N TRP A 108 1.478 9.705 -2.450 1.00 0.00 N ATOM 1591 CA TRP A 108 1.022 8.876 -1.342 1.00 0.00 C ATOM 1592 C TRP A 108 1.657 9.352 -0.036 1.00 0.00 C ATOM 1593 O TRP A 108 2.872 9.532 0.051 1.00 0.00 O ATOM 1594 CB TRP A 108 1.345 7.408 -1.622 1.00 0.00 C ATOM 1595 CG TRP A 108 0.737 6.917 -2.907 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.542 6.475 -3.091 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.377 6.833 -4.187 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.736 6.119 -4.405 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.427 6.329 -5.099 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.660 7.132 -4.651 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.724 6.119 -6.448 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.952 6.925 -5.985 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.989 6.424 -6.871 1.00 0.00 C ATOM 0 H TRP A 108 2.214 9.283 -3.017 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.059 8.968 -1.240 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.427 7.279 -1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.983 6.796 -0.796 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.292 6.414 -2.317 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.604 5.757 -4.799 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.411 7.519 -3.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.017 5.731 -7.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.942 7.154 -6.352 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.250 6.276 -7.908 1.00 0.00 H new ATOM 1614 N VAL A 109 0.812 9.594 0.963 1.00 0.00 N ATOM 1615 CA VAL A 109 1.257 10.097 2.262 1.00 0.00 C ATOM 1616 C VAL A 109 1.974 9.051 3.108 1.00 0.00 C ATOM 1617 O VAL A 109 2.793 9.398 3.958 1.00 0.00 O ATOM 1618 CB VAL A 109 0.088 10.641 3.079 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.488 11.916 3.805 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.140 10.872 2.209 1.00 0.00 C ATOM 0 H VAL A 109 -0.195 9.448 0.897 1.00 0.00 H new ATOM 0 HA VAL A 109 1.964 10.891 2.024 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.175 9.890 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.359 12.288 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.320 11.706 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.790 12.669 3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.953 11.259 2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.901 11.592 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.446 9.930 1.754 1.00 0.00 H new ATOM 1630 N ALA A 110 1.674 7.781 2.886 1.00 0.00 N ATOM 1631 CA ALA A 110 2.313 6.716 3.653 1.00 0.00 C ATOM 1632 C ALA A 110 3.797 6.630 3.330 1.00 0.00 C ATOM 1633 O ALA A 110 4.588 6.118 4.122 1.00 0.00 O ATOM 1634 CB ALA A 110 1.631 5.385 3.386 1.00 0.00 C ATOM 0 H ALA A 110 1.000 7.462 2.190 1.00 0.00 H new ATOM 0 HA ALA A 110 2.210 6.951 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.120 4.603 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.582 5.449 3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.700 5.147 2.325 1.00 0.00 H new ATOM 1640 N TRP A 111 4.166 7.148 2.168 1.00 0.00 N ATOM 1641 CA TRP A 111 5.559 7.141 1.751 1.00 0.00 C ATOM 1642 C TRP A 111 6.272 8.382 2.275 1.00 0.00 C ATOM 1643 O TRP A 111 7.435 8.315 2.670 1.00 0.00 O ATOM 1644 CB TRP A 111 5.676 7.046 0.227 1.00 0.00 C ATOM 1645 CG TRP A 111 7.092 7.098 -0.268 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.901 6.034 -0.546 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.866 8.274 -0.544 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.129 6.475 -0.977 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.133 7.845 -0.984 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.610 9.645 -0.462 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.139 8.740 -1.340 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.611 10.532 -0.816 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.861 10.075 -1.250 1.00 0.00 C ATOM 0 H TRP A 111 3.524 7.576 1.501 1.00 0.00 H new ATOM 0 HA TRP A 111 6.041 6.260 2.175 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.216 6.116 -0.108 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.111 7.862 -0.225 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.617 4.997 -0.442 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.911 5.879 -1.248 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.648 10.006 -0.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.105 8.391 -1.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.425 11.594 -0.757 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.622 10.793 -1.519 1.00 0.00 H new ATOM 1664 N ARG A 112 5.570 9.515 2.302 1.00 0.00 N ATOM 1665 CA ARG A 112 6.141 10.759 2.808 1.00 0.00 C ATOM 1666 C ARG A 112 5.808 10.950 4.284 1.00 0.00 C ATOM 1667 O ARG A 112 5.432 12.043 4.708 1.00 0.00 O ATOM 1668 CB ARG A 112 5.600 11.938 2.015 1.00 0.00 C ATOM 1669 CG ARG A 112 6.639 12.617 1.139 1.00 0.00 C ATOM 1670 CD ARG A 112 6.962 14.015 1.641 1.00 0.00 C ATOM 1671 NE ARG A 112 8.035 14.639 0.870 1.00 0.00 N ATOM 1672 CZ ARG A 112 8.006 15.902 0.453 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.964 16.673 0.732 1.00 0.00 N ATOM 1674 NH2 ARG A 112 9.022 16.394 -0.243 1.00 0.00 N ATOM 0 H ARG A 112 4.606 9.595 1.979 1.00 0.00 H new ATOM 0 HA ARG A 112 7.224 10.705 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.778 11.595 1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.188 12.671 2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.549 12.017 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.272 12.673 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.068 14.636 1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.251 13.965 2.691 1.00 0.00 H new ATOM 0 HE ARG A 112 8.852 14.074 0.638 1.00 0.00 H new ATOM 0 HH11 ARG A 112 6.181 16.298 1.268 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.945 17.641 0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 112 9.826 15.804 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 112 9.000 17.362 -0.563 1.00 0.00 H new ATOM 1688 N ASN A 113 5.951 9.891 5.059 1.00 0.00 N ATOM 1689 CA ASN A 113 5.664 9.956 6.489 1.00 0.00 C ATOM 1690 C ASN A 113 6.415 8.878 7.256 1.00 0.00 C ATOM 1691 O ASN A 113 7.268 9.174 8.092 1.00 0.00 O ATOM 1692 CB ASN A 113 4.161 9.817 6.734 1.00 0.00 C ATOM 1693 CG ASN A 113 3.767 10.207 8.145 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.091 9.300 8.842 1.00 0.00 O flip ATOM 1695 ND2 ASN A 113 4.067 11.309 8.604 1.00 0.00 N flip ATOM 0 H ASN A 113 6.262 8.977 4.729 1.00 0.00 H new ATOM 0 HA ASN A 113 6.001 10.927 6.852 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.620 10.442 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.859 8.787 6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.587 11.975 8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.796 11.556 9.556 1.00 0.00 H new ATOM 1702 N ARG A 114 6.085 7.629 6.968 1.00 0.00 N ATOM 1703 CA ARG A 114 6.717 6.499 7.631 1.00 0.00 C ATOM 1704 C ARG A 114 7.856 5.934 6.792 1.00 0.00 C ATOM 1705 O ARG A 114 8.588 5.051 7.238 1.00 0.00 O ATOM 1706 CB ARG A 114 5.683 5.409 7.899 1.00 0.00 C ATOM 1707 CG ARG A 114 5.002 5.532 9.251 1.00 0.00 C ATOM 1708 CD ARG A 114 3.558 5.987 9.109 1.00 0.00 C ATOM 1709 NE ARG A 114 2.710 5.456 10.172 1.00 0.00 N ATOM 1710 CZ ARG A 114 1.387 5.590 10.196 1.00 0.00 C ATOM 1711 NH1 ARG A 114 0.763 6.233 9.218 1.00 0.00 N ATOM 1712 NH2 ARG A 114 0.686 5.078 11.199 1.00 0.00 N ATOM 0 H ARG A 114 5.380 7.371 6.277 1.00 0.00 H new ATOM 0 HA ARG A 114 7.131 6.850 8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.925 5.439 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.169 4.436 7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.033 4.571 9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.549 6.242 9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.518 7.076 9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.170 5.667 8.142 1.00 0.00 H new ATOM 0 HE ARG A 114 3.157 4.954 10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.298 6.627 8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -0.252 6.334 9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 114 1.162 4.581 11.952 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -0.329 5.181 11.217 1.00 0.00 H new ATOM 1726 N CYS A 115 7.991 6.437 5.571 1.00 0.00 N ATOM 1727 CA CYS A 115 9.033 5.964 4.671 1.00 0.00 C ATOM 1728 C CYS A 115 10.106 7.020 4.435 1.00 0.00 C ATOM 1729 O CYS A 115 11.298 6.713 4.446 1.00 0.00 O ATOM 1730 CB CYS A 115 8.426 5.550 3.335 1.00 0.00 C ATOM 1731 SG CYS A 115 9.638 4.868 2.166 1.00 0.00 S ATOM 0 H CYS A 115 7.395 7.169 5.184 1.00 0.00 H new ATOM 0 HA CYS A 115 9.505 5.104 5.147 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.648 4.808 3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 115 7.943 6.415 2.881 1.00 0.00 H new ATOM 1736 N LYS A 116 9.682 8.259 4.209 1.00 0.00 N ATOM 1737 CA LYS A 116 10.618 9.349 3.958 1.00 0.00 C ATOM 1738 C LYS A 116 11.572 9.535 5.133 1.00 0.00 C ATOM 1739 O LYS A 116 11.275 10.271 6.076 1.00 0.00 O ATOM 1740 CB LYS A 116 9.857 10.649 3.693 1.00 0.00 C ATOM 1741 CG LYS A 116 10.746 11.793 3.233 1.00 0.00 C ATOM 1742 CD LYS A 116 10.723 11.942 1.720 1.00 0.00 C ATOM 1743 CE LYS A 116 12.071 12.401 1.185 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.978 12.869 -0.226 1.00 0.00 N ATOM 0 H LYS A 116 8.700 8.533 4.194 1.00 0.00 H new ATOM 0 HA LYS A 116 11.206 9.092 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.095 10.466 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.337 10.948 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.414 12.722 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.769 11.618 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.454 10.989 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.954 12.660 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.454 13.207 1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.786 11.580 1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.759 13.526 -0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.040 12.053 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.070 13.355 -0.371 1.00 0.00 H new ATOM 1758 N GLY A 117 12.721 8.869 5.069 1.00 0.00 N ATOM 1759 CA GLY A 117 13.699 8.983 6.134 1.00 0.00 C ATOM 1760 C GLY A 117 14.361 7.661 6.474 1.00 0.00 C ATOM 1761 O GLY A 117 15.196 7.598 7.376 1.00 0.00 O ATOM 0 H GLY A 117 12.991 8.254 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.464 9.702 5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.213 9.380 7.025 1.00 0.00 H new ATOM 1765 N THR A 118 13.993 6.600 5.759 1.00 0.00 N ATOM 1766 CA THR A 118 14.565 5.281 6.003 1.00 0.00 C ATOM 1767 C THR A 118 15.335 4.784 4.780 1.00 0.00 C ATOM 1768 O THR A 118 15.869 5.581 4.009 1.00 0.00 O ATOM 1769 CB THR A 118 13.473 4.256 6.367 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.491 4.196 5.326 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.803 4.626 7.682 1.00 0.00 C ATOM 0 H THR A 118 13.303 6.629 5.008 1.00 0.00 H new ATOM 0 HA THR A 118 15.251 5.380 6.844 1.00 0.00 H new ATOM 0 HB THR A 118 13.944 3.279 6.478 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.090 5.082 5.203 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.036 3.889 7.919 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.548 4.644 8.478 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.345 5.611 7.592 1.00 0.00 H new ATOM 1779 N ASP A 119 15.392 3.464 4.607 1.00 0.00 N ATOM 1780 CA ASP A 119 16.102 2.874 3.477 1.00 0.00 C ATOM 1781 C ASP A 119 15.260 1.815 2.773 1.00 0.00 C ATOM 1782 O ASP A 119 14.996 0.747 3.325 1.00 0.00 O ATOM 1783 CB ASP A 119 17.409 2.271 3.935 1.00 0.00 C ATOM 1784 CG ASP A 119 18.477 2.314 2.860 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.919 3.427 2.505 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.873 1.234 2.372 1.00 0.00 O ATOM 0 H ASP A 119 14.956 2.787 5.233 1.00 0.00 H new ATOM 0 HA ASP A 119 16.303 3.673 2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.763 2.806 4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.242 1.237 4.236 1.00 0.00 H new ATOM 1791 N VAL A 120 14.847 2.121 1.547 1.00 0.00 N ATOM 1792 CA VAL A 120 14.040 1.206 0.753 1.00 0.00 C ATOM 1793 C VAL A 120 14.908 0.111 0.149 1.00 0.00 C ATOM 1794 O VAL A 120 14.453 -1.015 -0.052 1.00 0.00 O ATOM 1795 CB VAL A 120 13.298 1.946 -0.377 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.354 2.989 0.199 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.287 2.588 -1.338 1.00 0.00 C ATOM 0 H VAL A 120 15.061 3.003 1.081 1.00 0.00 H new ATOM 0 HA VAL A 120 13.304 0.760 1.422 1.00 0.00 H new ATOM 0 HB VAL A 120 12.707 1.219 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.839 3.502 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.622 2.501 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.924 3.713 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.743 3.105 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.908 3.302 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.920 1.817 -1.778 1.00 0.00 H new ATOM 1807 N GLN A 121 16.165 0.447 -0.126 1.00 0.00 N ATOM 1808 CA GLN A 121 17.101 -0.516 -0.689 1.00 0.00 C ATOM 1809 C GLN A 121 17.237 -1.702 0.253 1.00 0.00 C ATOM 1810 O GLN A 121 17.554 -2.815 -0.166 1.00 0.00 O ATOM 1811 CB GLN A 121 18.467 0.135 -0.921 1.00 0.00 C ATOM 1812 CG GLN A 121 18.399 1.422 -1.728 1.00 0.00 C ATOM 1813 CD GLN A 121 19.702 2.197 -1.700 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.503 2.055 -0.777 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.919 3.024 -2.717 1.00 0.00 N ATOM 0 H GLN A 121 16.556 1.376 0.032 1.00 0.00 H new ATOM 0 HA GLN A 121 16.720 -0.861 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.929 0.345 0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.115 -0.574 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.143 1.186 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.598 2.050 -1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.227 3.110 -3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.778 3.573 -2.754 1.00 0.00 H new ATOM 1824 N ALA A 122 16.976 -1.446 1.531 1.00 0.00 N ATOM 1825 CA ALA A 122 17.045 -2.479 2.551 1.00 0.00 C ATOM 1826 C ALA A 122 15.692 -3.162 2.707 1.00 0.00 C ATOM 1827 O ALA A 122 15.605 -4.276 3.225 1.00 0.00 O ATOM 1828 CB ALA A 122 17.499 -1.885 3.876 1.00 0.00 C ATOM 0 H ALA A 122 16.714 -0.525 1.883 1.00 0.00 H new ATOM 0 HA ALA A 122 17.775 -3.227 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.546 -2.671 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.486 -1.439 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.791 -1.120 4.193 1.00 0.00 H new ATOM 1834 N TRP A 123 14.637 -2.490 2.248 1.00 0.00 N ATOM 1835 CA TRP A 123 13.288 -3.045 2.333 1.00 0.00 C ATOM 1836 C TRP A 123 13.158 -4.289 1.459 1.00 0.00 C ATOM 1837 O TRP A 123 12.250 -5.098 1.647 1.00 0.00 O ATOM 1838 CB TRP A 123 12.248 -2.007 1.909 1.00 0.00 C ATOM 1839 CG TRP A 123 11.735 -1.168 3.042 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.515 0.178 3.024 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.371 -1.614 4.356 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.043 0.593 4.245 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.948 -0.491 5.075 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.362 -2.853 4.996 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.525 -0.578 6.394 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.942 -2.936 6.305 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.527 -1.802 6.993 1.00 0.00 C ATOM 0 H TRP A 123 14.690 -1.567 1.817 1.00 0.00 H new ATOM 0 HA TRP A 123 13.107 -3.323 3.371 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.687 -1.354 1.155 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.408 -2.518 1.438 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.687 0.822 2.175 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.802 1.553 4.493 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.682 -3.740 4.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.203 0.301 6.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.935 -3.894 6.803 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.201 -1.892 8.019 1.00 0.00 H new ATOM 1858 N ILE A 124 14.073 -4.434 0.505 1.00 0.00 N ATOM 1859 CA ILE A 124 14.062 -5.579 -0.398 1.00 0.00 C ATOM 1860 C ILE A 124 15.403 -6.305 -0.377 1.00 0.00 C ATOM 1861 O ILE A 124 15.666 -7.167 -1.215 1.00 0.00 O ATOM 1862 CB ILE A 124 13.743 -5.153 -1.844 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.660 -4.009 -2.278 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.282 -4.746 -1.966 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.628 -4.393 -3.375 1.00 0.00 C ATOM 0 H ILE A 124 14.831 -3.773 0.338 1.00 0.00 H new ATOM 0 HA ILE A 124 13.280 -6.252 -0.047 1.00 0.00 H new ATOM 0 HB ILE A 124 13.919 -6.002 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.049 -3.174 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.224 -3.658 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.072 -4.448 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.646 -5.589 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.080 -3.910 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.246 -3.533 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.265 -5.207 -3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 124 15.071 -4.716 -4.255 1.00 0.00 H new ATOM 1877 N ARG A 125 16.247 -5.949 0.585 1.00 0.00 N ATOM 1878 CA ARG A 125 17.562 -6.563 0.718 1.00 0.00 C ATOM 1879 C ARG A 125 17.440 -8.041 1.077 1.00 0.00 C ATOM 1880 O ARG A 125 17.279 -8.394 2.247 1.00 0.00 O ATOM 1881 CB ARG A 125 18.385 -5.833 1.782 1.00 0.00 C ATOM 1882 CG ARG A 125 19.863 -6.188 1.758 1.00 0.00 C ATOM 1883 CD ARG A 125 20.630 -5.310 0.783 1.00 0.00 C ATOM 1884 NE ARG A 125 21.893 -5.920 0.376 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.852 -5.267 -0.275 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.691 -3.989 -0.593 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.972 -5.892 -0.610 1.00 0.00 N ATOM 0 H ARG A 125 16.043 -5.236 1.286 1.00 0.00 H new ATOM 0 HA ARG A 125 18.071 -6.482 -0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.276 -4.758 1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.980 -6.067 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.282 -6.075 2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.983 -7.235 1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.016 -5.125 -0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.827 -4.342 1.244 1.00 0.00 H new ATOM 0 HE ARG A 125 22.049 -6.902 0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.830 -3.505 -0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.428 -3.491 -1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.099 -6.875 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.706 -5.390 -1.109 1.00 0.00 H new ATOM 1901 N GLY A 126 17.519 -8.900 0.066 1.00 0.00 N ATOM 1902 CA GLY A 126 17.417 -10.331 0.295 1.00 0.00 C ATOM 1903 C GLY A 126 16.190 -10.938 -0.355 1.00 0.00 C ATOM 1904 O GLY A 126 15.962 -12.145 -0.259 1.00 0.00 O ATOM 0 H GLY A 126 17.652 -8.631 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.310 -10.822 -0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.388 -10.523 1.368 1.00 0.00 H new ATOM 1908 N CYS A 127 15.396 -10.102 -1.018 1.00 0.00 N ATOM 1909 CA CYS A 127 14.187 -10.561 -1.685 1.00 0.00 C ATOM 1910 C CYS A 127 14.510 -11.468 -2.867 1.00 0.00 C ATOM 1911 O CYS A 127 15.668 -11.816 -3.097 1.00 0.00 O ATOM 1912 CB CYS A 127 13.365 -9.372 -2.145 1.00 0.00 C ATOM 1913 SG CYS A 127 12.142 -8.793 -0.927 1.00 0.00 S ATOM 0 H CYS A 127 15.571 -9.101 -1.106 1.00 0.00 H new ATOM 0 HA CYS A 127 13.608 -11.144 -0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.039 -8.550 -2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.846 -9.638 -3.066 1.00 0.00 H new ATOM 1918 N ARG A 128 13.478 -11.846 -3.614 1.00 0.00 N ATOM 1919 CA ARG A 128 13.651 -12.713 -4.774 1.00 0.00 C ATOM 1920 C ARG A 128 12.754 -12.267 -5.925 1.00 0.00 C ATOM 1921 O ARG A 128 11.616 -12.720 -6.050 1.00 0.00 O ATOM 1922 CB ARG A 128 13.342 -14.164 -4.403 1.00 0.00 C ATOM 1923 CG ARG A 128 14.173 -15.179 -5.170 1.00 0.00 C ATOM 1924 CD ARG A 128 14.157 -16.539 -4.493 1.00 0.00 C ATOM 1925 NE ARG A 128 14.591 -17.605 -5.392 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.848 -18.666 -5.692 1.00 0.00 C ATOM 1927 NH1 ARG A 128 12.638 -18.802 -5.166 1.00 0.00 N ATOM 1928 NH2 ARG A 128 14.314 -19.591 -6.519 1.00 0.00 N ATOM 0 H ARG A 128 12.513 -11.566 -3.437 1.00 0.00 H new ATOM 0 HA ARG A 128 14.689 -12.642 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.512 -14.301 -3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.285 -14.360 -4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 128 13.788 -15.273 -6.185 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.200 -14.823 -5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.807 -16.516 -3.618 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.150 -16.754 -4.136 1.00 0.00 H new ATOM 0 HE ARG A 128 15.517 -17.531 -5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.276 -18.092 -4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.070 -19.617 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.244 -19.489 -6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.743 -20.404 -6.748 1.00 0.00 H new ATOM 1942 N LEU A 129 13.275 -11.377 -6.763 1.00 0.00 N ATOM 1943 CA LEU A 129 12.523 -10.869 -7.905 1.00 0.00 C ATOM 1944 C LEU A 129 13.374 -10.891 -9.171 1.00 0.00 C ATOM 1945 O LEU A 129 14.616 -10.923 -9.047 1.00 0.00 O ATOM 1946 CB LEU A 129 12.036 -9.445 -7.629 1.00 0.00 C ATOM 1947 CG LEU A 129 13.100 -8.491 -7.083 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.500 -7.475 -8.141 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.593 -7.789 -5.832 1.00 0.00 C ATOM 1950 OXT LEU A 129 12.791 -10.877 -10.275 1.00 0.00 O ATOM 0 H LEU A 129 14.215 -10.992 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 129 11.660 -11.518 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.636 -9.028 -8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.211 -9.491 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 129 13.982 -9.074 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.258 -6.805 -7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.904 -7.994 -9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.626 -6.896 -8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.362 -7.114 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.696 -7.219 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.357 -8.531 -5.069 1.00 0.00 H new