USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 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= -1.06 K(o=-1.1,f=-2.6!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.0907 USER MOD Set 2.1: A 65 ASN : amide:sc= 0 X(o=-1.1,f=-1.6) USER MOD Set 2.2: A 72 SER OG : rot 100:sc= -1.14 USER MOD Set 3.1: A 51 THR OG1 : rot 164:sc= 0.217 USER MOD Set 3.2: A 53 TYR OH : rot 30:sc= 0.241 USER MOD Set 4.1: A 46 ASN : amide:sc= 0 X(o=0.45,f=0.38) USER MOD Set 4.2: A 50 SER OG : rot 32:sc= 0.446 USER MOD Set 5.1: A 24 SER OG : rot 180:sc= -0.448 USER MOD Set 5.2: A 27 ASN : amide:sc= -5.54! C(o=-6!,f=-0.29!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -167:sc= -10.9! (180deg=-11.4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc=-0.00358 X(o=-0.0036,f=-0.21) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -95:sc= -1.07! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.448 K(o=-0.45,f=-4.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.52) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00646 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.88! C(o=-1.9!,f=-2.2!) USER MOD Single : A 59 ASN : amide:sc= -6.05! C(o=-6!,f=-10!) USER MOD Single : A 60 SER OG : rot -104:sc= 0.548 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0495 USER MOD Single : A 74 ASN : amide:sc= -4.94! C(o=-4.9!,f=-8.9!) USER MOD Single : A 77 ASN : amide:sc=-0.00495 K(o=-0.005,f=-0.91) 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 180:sc=-0.000129 USER MOD Single : A 91 SER OG : rot 180:sc= -1.04 USER MOD Single : A 93 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.29) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -37:sc= 0.0806 USER MOD Single : A 103 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.25) USER MOD Single : A 105 MET CE :methyl -149:sc= -1.36 (180deg=-4.02!) USER MOD Single : A 106 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.17) USER MOD Single : A 113 ASN : amide:sc= -0.0211 K(o=-0.021,f=1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -63:sc= 1.06 USER MOD Single : A 121 GLN : amide:sc= -0.083 X(o=-0.083,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.564 -11.128 2.430 1.00 0.00 N ATOM 2 CA LYS A 1 -5.503 -11.642 1.527 1.00 0.00 C ATOM 3 C LYS A 1 -4.546 -10.529 1.111 1.00 0.00 C ATOM 4 O LYS A 1 -4.719 -9.911 0.062 1.00 0.00 O ATOM 5 CB LYS A 1 -6.167 -12.257 0.294 1.00 0.00 C ATOM 6 CG LYS A 1 -5.419 -13.457 -0.266 1.00 0.00 C ATOM 7 CD LYS A 1 -5.191 -13.321 -1.762 1.00 0.00 C ATOM 8 CE LYS A 1 -4.480 -14.539 -2.330 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.424 -15.660 -2.593 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.200 -11.906 2.697 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.128 -10.728 3.286 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.108 -10.389 1.941 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.919 -12.396 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.182 -12.560 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.249 -11.496 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.460 -13.559 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.985 -14.367 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.148 -13.189 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.600 -12.427 -1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.974 -14.265 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.710 -14.869 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.900 -16.471 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.888 -15.939 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.144 -15.354 -3.279 1.00 0.00 H new ATOM 25 N VAL A 2 -3.537 -10.282 1.939 1.00 0.00 N ATOM 26 CA VAL A 2 -2.548 -9.245 1.662 1.00 0.00 C ATOM 27 C VAL A 2 -1.430 -9.785 0.769 1.00 0.00 C ATOM 28 O VAL A 2 -1.118 -10.975 0.807 1.00 0.00 O ATOM 29 CB VAL A 2 -1.949 -8.695 2.979 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.706 -7.860 2.721 1.00 0.00 C ATOM 31 CG2 VAL A 2 -2.984 -7.871 3.729 1.00 0.00 C ATOM 0 H VAL A 2 -3.382 -10.788 2.811 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.053 -8.433 1.138 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.659 -9.549 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.313 -7.491 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.049 -8.474 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.961 -7.016 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.547 -7.492 4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.303 -7.034 3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.845 -8.496 3.965 1.00 0.00 H new ATOM 41 N PHE A 3 -0.816 -8.902 -0.019 1.00 0.00 N ATOM 42 CA PHE A 3 0.278 -9.283 -0.901 1.00 0.00 C ATOM 43 C PHE A 3 1.553 -9.548 -0.112 1.00 0.00 C ATOM 44 O PHE A 3 1.680 -9.153 1.048 1.00 0.00 O ATOM 45 CB PHE A 3 0.566 -8.163 -1.905 1.00 0.00 C ATOM 46 CG PHE A 3 -0.203 -8.257 -3.186 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.219 -9.095 -4.203 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.338 -7.489 -3.380 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.481 -9.169 -5.391 1.00 0.00 C ATOM 50 CE2 PHE A 3 -2.040 -7.556 -4.566 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.612 -8.397 -5.574 1.00 0.00 C ATOM 0 H PHE A 3 -1.063 -7.913 -0.061 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.026 -10.192 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.344 -7.205 -1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.631 -8.166 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.105 -9.697 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.678 -6.830 -2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.145 -9.830 -6.176 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.924 -6.951 -4.706 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.160 -8.451 -6.503 1.00 0.00 H new ATOM 61 N GLY A 4 2.499 -10.198 -0.769 1.00 0.00 N ATOM 62 CA GLY A 4 3.776 -10.493 -0.153 1.00 0.00 C ATOM 63 C GLY A 4 4.785 -9.396 -0.423 1.00 0.00 C ATOM 64 O GLY A 4 4.704 -8.719 -1.447 1.00 0.00 O ATOM 0 H GLY A 4 2.404 -10.530 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.644 -10.612 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.156 -11.441 -0.534 1.00 0.00 H new ATOM 68 N ARG A 5 5.730 -9.209 0.491 1.00 0.00 N ATOM 69 CA ARG A 5 6.745 -8.174 0.328 1.00 0.00 C ATOM 70 C ARG A 5 7.448 -8.311 -1.013 1.00 0.00 C ATOM 71 O ARG A 5 7.400 -7.399 -1.839 1.00 0.00 O ATOM 72 CB ARG A 5 7.765 -8.231 1.468 1.00 0.00 C ATOM 73 CG ARG A 5 8.108 -9.644 1.913 1.00 0.00 C ATOM 74 CD ARG A 5 8.826 -9.648 3.252 1.00 0.00 C ATOM 75 NE ARG A 5 8.531 -10.850 4.028 1.00 0.00 N ATOM 76 CZ ARG A 5 9.083 -11.121 5.207 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.953 -10.278 5.746 1.00 0.00 N ATOM 78 NH2 ARG A 5 8.763 -12.235 5.850 1.00 0.00 N ATOM 0 H ARG A 5 5.815 -9.756 1.347 1.00 0.00 H new ATOM 0 HA ARG A 5 6.244 -7.206 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.679 -7.728 1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.374 -7.676 2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.195 -10.235 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.736 -10.121 1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.901 -9.578 3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.533 -8.767 3.823 1.00 0.00 H new ATOM 0 HE ARG A 5 7.864 -11.519 3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.201 -9.418 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.374 -10.489 6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.093 -12.886 5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.187 -12.442 6.754 1.00 0.00 H new ATOM 92 N CYS A 6 8.090 -9.448 -1.235 1.00 0.00 N ATOM 93 CA CYS A 6 8.782 -9.674 -2.490 1.00 0.00 C ATOM 94 C CYS A 6 7.809 -10.129 -3.563 1.00 0.00 C ATOM 95 O CYS A 6 7.944 -9.753 -4.721 1.00 0.00 O ATOM 96 CB CYS A 6 9.895 -10.697 -2.330 1.00 0.00 C ATOM 97 SG CYS A 6 10.760 -10.616 -0.729 1.00 0.00 S ATOM 0 H CYS A 6 8.145 -10.219 -0.570 1.00 0.00 H new ATOM 0 HA CYS A 6 9.229 -8.728 -2.795 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.476 -11.696 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.621 -10.555 -3.130 1.00 0.00 H new ATOM 102 N GLU A 7 6.821 -10.932 -3.174 1.00 0.00 N ATOM 103 CA GLU A 7 5.826 -11.409 -4.125 1.00 0.00 C ATOM 104 C GLU A 7 5.349 -10.241 -4.973 1.00 0.00 C ATOM 105 O GLU A 7 5.353 -10.298 -6.206 1.00 0.00 O ATOM 106 CB GLU A 7 4.646 -12.054 -3.396 1.00 0.00 C ATOM 107 CG GLU A 7 3.797 -12.948 -4.286 1.00 0.00 C ATOM 108 CD GLU A 7 2.833 -13.811 -3.495 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.301 -14.595 -2.642 1.00 0.00 O ATOM 110 OE2 GLU A 7 1.612 -13.706 -3.729 1.00 0.00 O ATOM 0 H GLU A 7 6.690 -11.262 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 7 6.277 -12.166 -4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.024 -12.642 -2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.016 -11.270 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.235 -12.329 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.449 -13.589 -4.880 1.00 0.00 H new ATOM 117 N LEU A 8 4.974 -9.162 -4.297 1.00 0.00 N ATOM 118 CA LEU A 8 4.530 -7.967 -4.983 1.00 0.00 C ATOM 119 C LEU A 8 5.694 -7.315 -5.713 1.00 0.00 C ATOM 120 O LEU A 8 5.518 -6.821 -6.823 1.00 0.00 O ATOM 121 CB LEU A 8 3.903 -6.958 -4.015 1.00 0.00 C ATOM 122 CG LEU A 8 3.773 -5.537 -4.579 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.327 -5.223 -4.925 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.323 -4.514 -3.598 1.00 0.00 C ATOM 0 H LEU A 8 4.970 -9.095 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 8 3.768 -8.268 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.914 -7.314 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.504 -6.922 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 8 4.362 -5.483 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.260 -4.210 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.970 -5.931 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.713 -5.302 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.220 -3.514 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.768 -4.572 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.376 -4.721 -3.408 1.00 0.00 H new ATOM 136 N ALA A 9 6.888 -7.323 -5.100 1.00 0.00 N ATOM 137 CA ALA A 9 8.058 -6.721 -5.734 1.00 0.00 C ATOM 138 C ALA A 9 8.339 -7.366 -7.082 1.00 0.00 C ATOM 139 O ALA A 9 8.442 -6.677 -8.095 1.00 0.00 O ATOM 140 CB ALA A 9 9.274 -6.816 -4.833 1.00 0.00 C ATOM 0 H ALA A 9 7.062 -7.733 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 9 7.840 -5.666 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.131 -6.360 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.076 -6.293 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.491 -7.864 -4.624 1.00 0.00 H new ATOM 146 N ALA A 10 8.444 -8.691 -7.096 1.00 0.00 N ATOM 147 CA ALA A 10 8.687 -9.414 -8.332 1.00 0.00 C ATOM 148 C ALA A 10 7.672 -8.975 -9.371 1.00 0.00 C ATOM 149 O ALA A 10 8.001 -8.800 -10.545 1.00 0.00 O ATOM 150 CB ALA A 10 8.606 -10.916 -8.100 1.00 0.00 C ATOM 0 H ALA A 10 8.365 -9.281 -6.268 1.00 0.00 H new ATOM 0 HA ALA A 10 9.691 -9.189 -8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.791 -11.440 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.355 -11.212 -7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.614 -11.174 -7.730 1.00 0.00 H new ATOM 156 N ALA A 11 6.435 -8.774 -8.920 1.00 0.00 N ATOM 157 CA ALA A 11 5.375 -8.327 -9.807 1.00 0.00 C ATOM 158 C ALA A 11 5.667 -6.932 -10.319 1.00 0.00 C ATOM 159 O ALA A 11 5.421 -6.613 -11.481 1.00 0.00 O ATOM 160 CB ALA A 11 4.026 -8.380 -9.106 1.00 0.00 C ATOM 0 H ALA A 11 6.148 -8.914 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 11 5.333 -9.002 -10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.247 -8.041 -9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.817 -9.404 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.046 -7.733 -8.229 1.00 0.00 H new ATOM 166 N MET A 12 6.200 -6.120 -9.434 1.00 0.00 N ATOM 167 CA MET A 12 6.556 -4.740 -9.764 1.00 0.00 C ATOM 168 C MET A 12 7.535 -4.715 -10.926 1.00 0.00 C ATOM 169 O MET A 12 7.320 -4.024 -11.921 1.00 0.00 O ATOM 170 CB MET A 12 7.193 -4.031 -8.568 1.00 0.00 C ATOM 171 CG MET A 12 6.474 -4.253 -7.252 1.00 0.00 C ATOM 172 SD MET A 12 4.798 -3.598 -7.259 1.00 0.00 S ATOM 173 CE MET A 12 5.140 -1.854 -7.454 1.00 0.00 C ATOM 0 H MET A 12 6.401 -6.385 -8.470 1.00 0.00 H new ATOM 0 HA MET A 12 5.638 -4.220 -10.037 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.224 -4.371 -8.467 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.229 -2.961 -8.772 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.442 -5.321 -7.036 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.041 -3.782 -6.449 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.236 -1.281 -7.248 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.924 -1.557 -6.758 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.468 -1.660 -8.475 1.00 0.00 H new ATOM 183 N LYS A 13 8.616 -5.482 -10.787 1.00 0.00 N ATOM 184 CA LYS A 13 9.637 -5.560 -11.822 1.00 0.00 C ATOM 185 C LYS A 13 8.993 -5.885 -13.159 1.00 0.00 C ATOM 186 O LYS A 13 9.303 -5.268 -14.179 1.00 0.00 O ATOM 187 CB LYS A 13 10.679 -6.623 -11.468 1.00 0.00 C ATOM 188 CG LYS A 13 12.000 -6.448 -12.198 1.00 0.00 C ATOM 189 CD LYS A 13 12.511 -7.769 -12.748 1.00 0.00 C ATOM 190 CE LYS A 13 13.926 -7.637 -13.287 1.00 0.00 C ATOM 191 NZ LYS A 13 14.846 -8.640 -12.683 1.00 0.00 N ATOM 0 H LYS A 13 8.804 -6.057 -9.966 1.00 0.00 H new ATOM 0 HA LYS A 13 10.138 -4.595 -11.892 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.861 -6.597 -10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.274 -7.608 -11.699 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.874 -5.737 -13.014 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.740 -6.025 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.489 -8.525 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.849 -8.115 -13.542 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.915 -7.760 -14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.300 -6.633 -13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.801 -8.517 -13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.877 -8.506 -11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.504 -9.598 -12.898 1.00 0.00 H new ATOM 205 N ARG A 14 8.083 -6.851 -13.140 1.00 0.00 N ATOM 206 CA ARG A 14 7.380 -7.253 -14.344 1.00 0.00 C ATOM 207 C ARG A 14 6.536 -6.098 -14.862 1.00 0.00 C ATOM 208 O ARG A 14 6.449 -5.874 -16.069 1.00 0.00 O ATOM 209 CB ARG A 14 6.493 -8.468 -14.066 1.00 0.00 C ATOM 210 CG ARG A 14 7.059 -9.770 -14.609 1.00 0.00 C ATOM 211 CD ARG A 14 6.089 -10.440 -15.570 1.00 0.00 C ATOM 212 NE ARG A 14 6.678 -11.611 -16.214 1.00 0.00 N ATOM 213 CZ ARG A 14 6.386 -12.863 -15.877 1.00 0.00 C ATOM 214 NH1 ARG A 14 5.517 -13.107 -14.905 1.00 0.00 N ATOM 215 NH2 ARG A 14 6.964 -13.874 -16.511 1.00 0.00 N ATOM 0 H ARG A 14 7.817 -7.368 -12.302 1.00 0.00 H new ATOM 0 HA ARG A 14 8.114 -7.526 -15.102 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.350 -8.564 -12.990 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.510 -8.298 -14.505 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.002 -9.573 -15.120 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.279 -10.445 -13.782 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.190 -10.737 -15.029 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.781 -9.724 -16.332 1.00 0.00 H new ATOM 0 HE ARG A 14 7.352 -11.459 -16.965 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.071 -12.333 -14.414 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.295 -14.069 -14.649 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.634 -13.691 -17.258 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.739 -14.834 -16.251 1.00 0.00 H new ATOM 229 N HIS A 15 5.891 -5.381 -13.944 1.00 0.00 N ATOM 230 CA HIS A 15 5.027 -4.269 -14.307 1.00 0.00 C ATOM 231 C HIS A 15 5.826 -3.023 -14.674 1.00 0.00 C ATOM 232 O HIS A 15 5.253 -2.038 -15.137 1.00 0.00 O ATOM 233 CB HIS A 15 4.076 -3.949 -13.155 1.00 0.00 C ATOM 234 CG HIS A 15 2.784 -4.705 -13.213 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.213 -5.305 -12.111 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.948 -4.954 -14.250 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.085 -5.892 -12.466 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.901 -5.693 -13.758 1.00 0.00 N ATOM 0 H HIS A 15 5.953 -5.554 -12.941 1.00 0.00 H new ATOM 0 HA HIS A 15 4.456 -4.570 -15.185 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.575 -4.171 -12.212 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.862 -2.880 -13.158 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.602 -5.297 -11.168 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.081 -4.631 -15.272 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.425 -6.441 -11.811 1.00 0.00 H new ATOM 247 N GLY A 16 7.149 -3.073 -14.521 1.00 0.00 N ATOM 248 CA GLY A 16 7.974 -1.944 -14.906 1.00 0.00 C ATOM 249 C GLY A 16 8.047 -0.811 -13.897 1.00 0.00 C ATOM 250 O GLY A 16 8.347 0.317 -14.283 1.00 0.00 O ATOM 0 H GLY A 16 7.659 -3.870 -14.140 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.985 -2.304 -15.096 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.596 -1.545 -15.847 1.00 0.00 H new ATOM 254 N LEU A 17 7.784 -1.067 -12.614 1.00 0.00 N ATOM 255 CA LEU A 17 7.851 0.017 -11.637 1.00 0.00 C ATOM 256 C LEU A 17 9.253 0.162 -11.075 1.00 0.00 C ATOM 257 O LEU A 17 9.545 1.096 -10.333 1.00 0.00 O ATOM 258 CB LEU A 17 6.854 -0.185 -10.493 1.00 0.00 C ATOM 259 CG LEU A 17 5.482 -0.759 -10.866 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.406 -0.145 -9.987 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.142 -0.522 -12.334 1.00 0.00 C ATOM 0 H LEU A 17 7.532 -1.981 -12.238 1.00 0.00 H new ATOM 0 HA LEU A 17 7.584 0.933 -12.165 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.311 -0.847 -9.757 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.699 0.777 -10.004 1.00 0.00 H new ATOM 0 HG LEU A 17 5.524 -1.836 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.435 -0.558 -10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.617 -0.371 -8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.393 0.936 -10.129 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.162 -0.945 -12.553 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.128 0.549 -12.536 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.893 -1.000 -12.963 1.00 0.00 H new ATOM 273 N ASP A 18 10.114 -0.763 -11.435 1.00 0.00 N ATOM 274 CA ASP A 18 11.494 -0.736 -10.964 1.00 0.00 C ATOM 275 C ASP A 18 12.282 0.376 -11.653 1.00 0.00 C ATOM 276 O ASP A 18 12.828 0.195 -12.742 1.00 0.00 O ATOM 277 CB ASP A 18 12.166 -2.096 -11.169 1.00 0.00 C ATOM 278 CG ASP A 18 13.672 -1.994 -11.316 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.337 -1.585 -10.340 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.187 -2.319 -12.407 1.00 0.00 O ATOM 0 H ASP A 18 9.891 -1.545 -12.051 1.00 0.00 H new ATOM 0 HA ASP A 18 11.484 -0.525 -9.895 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.932 -2.743 -10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.751 -2.571 -12.058 1.00 0.00 H new ATOM 285 N ASN A 19 12.325 1.528 -10.991 1.00 0.00 N ATOM 286 CA ASN A 19 13.032 2.706 -11.489 1.00 0.00 C ATOM 287 C ASN A 19 12.379 3.254 -12.738 1.00 0.00 C ATOM 288 O ASN A 19 13.049 3.771 -13.633 1.00 0.00 O ATOM 289 CB ASN A 19 14.507 2.391 -11.747 1.00 0.00 C ATOM 290 CG ASN A 19 15.437 3.305 -10.975 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.216 4.514 -10.897 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.487 2.731 -10.398 1.00 0.00 N ATOM 0 H ASN A 19 11.869 1.673 -10.090 1.00 0.00 H new ATOM 0 HA ASN A 19 12.975 3.473 -10.717 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.708 1.356 -11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.714 2.483 -12.813 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.148 3.296 -9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.632 1.725 -10.488 1.00 0.00 H new ATOM 299 N TYR A 20 11.063 3.170 -12.771 1.00 0.00 N ATOM 300 CA TYR A 20 10.311 3.696 -13.892 1.00 0.00 C ATOM 301 C TYR A 20 10.429 5.204 -13.852 1.00 0.00 C ATOM 302 O TYR A 20 10.909 5.737 -12.852 1.00 0.00 O ATOM 303 CB TYR A 20 8.843 3.271 -13.804 1.00 0.00 C ATOM 304 CG TYR A 20 8.032 3.616 -15.033 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.200 2.913 -16.221 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.097 4.644 -15.006 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.460 3.225 -17.345 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.353 4.961 -16.126 1.00 0.00 C ATOM 309 CZ TYR A 20 6.538 4.250 -17.292 1.00 0.00 C ATOM 310 OH TYR A 20 5.800 4.564 -18.411 1.00 0.00 O ATOM 0 H TYR A 20 10.495 2.745 -12.038 1.00 0.00 H new ATOM 0 HA TYR A 20 10.707 3.307 -14.830 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.796 2.195 -13.639 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.388 3.747 -12.935 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.921 2.110 -16.266 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.950 5.204 -14.094 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.602 2.670 -18.260 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.630 5.762 -16.088 1.00 0.00 H new ATOM 0 HH TYR A 20 5.196 5.308 -18.206 1.00 0.00 H new ATOM 320 N ARG A 21 10.036 5.884 -14.929 1.00 0.00 N ATOM 321 CA ARG A 21 10.123 7.340 -14.991 1.00 0.00 C ATOM 322 C ARG A 21 10.079 7.940 -13.589 1.00 0.00 C ATOM 323 O ARG A 21 10.763 8.919 -13.292 1.00 0.00 O ATOM 324 CB ARG A 21 8.982 7.907 -15.839 1.00 0.00 C ATOM 325 CG ARG A 21 9.355 9.172 -16.595 1.00 0.00 C ATOM 326 CD ARG A 21 9.765 8.865 -18.026 1.00 0.00 C ATOM 327 NE ARG A 21 8.762 9.312 -18.990 1.00 0.00 N ATOM 328 CZ ARG A 21 7.936 8.489 -19.629 1.00 0.00 C ATOM 329 NH1 ARG A 21 7.993 7.182 -19.409 1.00 0.00 N ATOM 330 NH2 ARG A 21 7.052 8.973 -20.490 1.00 0.00 N ATOM 0 H ARG A 21 9.655 5.449 -15.769 1.00 0.00 H new ATOM 0 HA ARG A 21 11.073 7.606 -15.455 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.660 7.149 -16.553 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.130 8.118 -15.192 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.509 9.859 -16.597 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.173 9.676 -16.081 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.717 9.349 -18.242 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.921 7.792 -18.136 1.00 0.00 H new ATOM 0 HE ARG A 21 8.692 10.311 -19.184 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.672 6.805 -18.748 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.358 6.554 -19.901 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.005 9.977 -20.663 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.419 8.341 -20.980 1.00 0.00 H new ATOM 344 N GLY A 22 9.266 7.325 -12.733 1.00 0.00 N ATOM 345 CA GLY A 22 9.132 7.778 -11.366 1.00 0.00 C ATOM 346 C GLY A 22 10.250 7.280 -10.469 1.00 0.00 C ATOM 347 O GLY A 22 11.313 7.895 -10.400 1.00 0.00 O ATOM 0 H GLY A 22 8.694 6.514 -12.969 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.117 8.868 -11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.175 7.440 -10.968 1.00 0.00 H new ATOM 351 N TYR A 23 10.000 6.185 -9.748 1.00 0.00 N ATOM 352 CA TYR A 23 11.001 5.659 -8.824 1.00 0.00 C ATOM 353 C TYR A 23 11.260 4.167 -8.975 1.00 0.00 C ATOM 354 O TYR A 23 10.664 3.489 -9.811 1.00 0.00 O ATOM 355 CB TYR A 23 10.591 5.966 -7.386 1.00 0.00 C ATOM 356 CG TYR A 23 10.710 7.427 -7.019 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.767 8.350 -7.456 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.760 7.885 -6.234 1.00 0.00 C ATOM 359 CE1 TYR A 23 9.869 9.687 -7.123 1.00 0.00 C ATOM 360 CE2 TYR A 23 11.869 9.220 -5.898 1.00 0.00 C ATOM 361 CZ TYR A 23 10.921 10.116 -6.344 1.00 0.00 C ATOM 362 OH TYR A 23 11.027 11.447 -6.011 1.00 0.00 O ATOM 0 H TYR A 23 9.129 5.655 -9.785 1.00 0.00 H new ATOM 0 HA TYR A 23 11.936 6.159 -9.075 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.560 5.645 -7.235 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.210 5.379 -6.708 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.941 8.016 -8.066 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.503 7.186 -5.881 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.128 10.392 -7.471 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.693 9.561 -5.289 1.00 0.00 H new ATOM 0 HH TYR A 23 11.824 11.583 -5.457 1.00 0.00 H new ATOM 372 N SER A 24 12.188 3.680 -8.145 1.00 0.00 N ATOM 373 CA SER A 24 12.591 2.282 -8.149 1.00 0.00 C ATOM 374 C SER A 24 11.690 1.424 -7.274 1.00 0.00 C ATOM 375 O SER A 24 10.877 1.932 -6.501 1.00 0.00 O ATOM 376 CB SER A 24 14.041 2.154 -7.679 1.00 0.00 C ATOM 377 OG SER A 24 14.153 2.410 -6.290 1.00 0.00 O ATOM 0 H SER A 24 12.677 4.249 -7.454 1.00 0.00 H new ATOM 0 HA SER A 24 12.500 1.920 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.410 1.152 -7.898 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.669 2.853 -8.232 1.00 0.00 H new ATOM 0 HG SER A 24 15.089 2.320 -6.015 1.00 0.00 H new ATOM 383 N LEU A 25 11.856 0.113 -7.416 1.00 0.00 N ATOM 384 CA LEU A 25 11.088 -0.870 -6.667 1.00 0.00 C ATOM 385 C LEU A 25 10.932 -0.484 -5.197 1.00 0.00 C ATOM 386 O LEU A 25 9.813 -0.365 -4.698 1.00 0.00 O ATOM 387 CB LEU A 25 11.775 -2.228 -6.783 1.00 0.00 C ATOM 388 CG LEU A 25 11.114 -3.196 -7.752 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.149 -4.119 -8.372 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.037 -3.996 -7.040 1.00 0.00 C ATOM 0 H LEU A 25 12.533 -0.298 -8.059 1.00 0.00 H new ATOM 0 HA LEU A 25 10.085 -0.914 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.808 -2.072 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.807 -2.689 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 25 10.647 -2.624 -8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.658 -4.805 -9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.887 -3.527 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.645 -4.689 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.571 -4.686 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.484 -4.560 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.282 -3.317 -6.643 1.00 0.00 H new ATOM 402 N GLY A 26 12.057 -0.318 -4.504 1.00 0.00 N ATOM 403 CA GLY A 26 12.029 0.026 -3.091 1.00 0.00 C ATOM 404 C GLY A 26 11.007 1.095 -2.740 1.00 0.00 C ATOM 405 O GLY A 26 10.361 1.019 -1.696 1.00 0.00 O ATOM 0 H GLY A 26 12.992 -0.416 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.815 -0.872 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.019 0.370 -2.791 1.00 0.00 H new ATOM 409 N ASN A 27 10.864 2.094 -3.605 1.00 0.00 N ATOM 410 CA ASN A 27 9.915 3.179 -3.361 1.00 0.00 C ATOM 411 C ASN A 27 8.473 2.682 -3.441 1.00 0.00 C ATOM 412 O ASN A 27 7.601 3.164 -2.718 1.00 0.00 O ATOM 413 CB ASN A 27 10.135 4.316 -4.357 1.00 0.00 C ATOM 414 CG ASN A 27 11.575 4.792 -4.381 1.00 0.00 C ATOM 415 OD1 ASN A 27 11.973 5.644 -3.586 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.365 4.244 -5.297 1.00 0.00 N ATOM 0 H ASN A 27 11.388 2.177 -4.476 1.00 0.00 H new ATOM 0 HA ASN A 27 10.090 3.553 -2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.849 3.982 -5.354 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.483 5.151 -4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.343 4.526 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.994 3.541 -5.936 1.00 0.00 H new ATOM 423 N TRP A 28 8.234 1.712 -4.317 1.00 0.00 N ATOM 424 CA TRP A 28 6.901 1.142 -4.485 1.00 0.00 C ATOM 425 C TRP A 28 6.519 0.281 -3.293 1.00 0.00 C ATOM 426 O TRP A 28 5.373 0.302 -2.846 1.00 0.00 O ATOM 427 CB TRP A 28 6.841 0.331 -5.769 1.00 0.00 C ATOM 428 CG TRP A 28 7.062 1.193 -6.958 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.224 1.346 -7.642 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.102 2.045 -7.584 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.059 2.260 -8.648 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.758 2.698 -8.642 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.752 2.319 -7.351 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.109 3.612 -9.469 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.104 3.223 -8.170 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.783 3.861 -9.219 1.00 0.00 C ATOM 0 H TRP A 28 8.946 1.303 -4.922 1.00 0.00 H new ATOM 0 HA TRP A 28 6.184 1.960 -4.548 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.595 -0.456 -5.741 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.871 -0.160 -5.847 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.144 0.824 -7.425 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.785 2.566 -9.296 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.224 1.832 -6.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.630 4.106 -10.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.060 3.442 -8.001 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.250 4.563 -9.843 1.00 0.00 H new ATOM 447 N VAL A 29 7.482 -0.470 -2.773 1.00 0.00 N ATOM 448 CA VAL A 29 7.236 -1.327 -1.626 1.00 0.00 C ATOM 449 C VAL A 29 7.016 -0.493 -0.375 1.00 0.00 C ATOM 450 O VAL A 29 6.058 -0.702 0.362 1.00 0.00 O ATOM 451 CB VAL A 29 8.415 -2.292 -1.396 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.132 -3.229 -0.233 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.715 -3.072 -2.667 1.00 0.00 C ATOM 0 H VAL A 29 8.438 -0.501 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 29 6.338 -1.909 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 29 9.296 -1.704 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.979 -3.900 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.976 -2.646 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.238 -3.814 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.550 -3.750 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.836 -3.648 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.974 -2.378 -3.467 1.00 0.00 H new ATOM 463 N CYS A 30 7.914 0.451 -0.143 1.00 0.00 N ATOM 464 CA CYS A 30 7.827 1.323 1.016 1.00 0.00 C ATOM 465 C CYS A 30 6.491 2.067 1.046 1.00 0.00 C ATOM 466 O CYS A 30 5.815 2.109 2.075 1.00 0.00 O ATOM 467 CB CYS A 30 8.982 2.323 0.991 1.00 0.00 C ATOM 468 SG CYS A 30 9.407 3.017 2.616 1.00 0.00 S ATOM 0 H CYS A 30 8.716 0.633 -0.746 1.00 0.00 H new ATOM 0 HA CYS A 30 7.892 0.711 1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.863 1.832 0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.725 3.140 0.316 1.00 0.00 H new ATOM 473 N ALA A 31 6.124 2.656 -0.089 1.00 0.00 N ATOM 474 CA ALA A 31 4.879 3.407 -0.197 1.00 0.00 C ATOM 475 C ALA A 31 3.657 2.508 -0.039 1.00 0.00 C ATOM 476 O ALA A 31 2.721 2.845 0.683 1.00 0.00 O ATOM 477 CB ALA A 31 4.823 4.138 -1.529 1.00 0.00 C ATOM 0 H ALA A 31 6.673 2.627 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 31 4.860 4.133 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.889 4.696 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.664 4.828 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.876 3.415 -2.343 1.00 0.00 H new ATOM 483 N ALA A 32 3.668 1.366 -0.720 1.00 0.00 N ATOM 484 CA ALA A 32 2.551 0.426 -0.658 1.00 0.00 C ATOM 485 C ALA A 32 2.419 -0.205 0.725 1.00 0.00 C ATOM 486 O ALA A 32 1.347 -0.177 1.327 1.00 0.00 O ATOM 487 CB ALA A 32 2.714 -0.654 -1.716 1.00 0.00 C ATOM 0 H ALA A 32 4.437 1.068 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 32 1.636 0.986 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.876 -1.348 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.739 -0.195 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.645 -1.195 -1.544 1.00 0.00 H new ATOM 493 N LYS A 33 3.512 -0.781 1.214 1.00 0.00 N ATOM 494 CA LYS A 33 3.526 -1.431 2.520 1.00 0.00 C ATOM 495 C LYS A 33 2.875 -0.558 3.585 1.00 0.00 C ATOM 496 O LYS A 33 1.978 -0.998 4.297 1.00 0.00 O ATOM 497 CB LYS A 33 4.962 -1.763 2.934 1.00 0.00 C ATOM 498 CG LYS A 33 5.081 -2.302 4.351 1.00 0.00 C ATOM 499 CD LYS A 33 5.786 -3.649 4.379 1.00 0.00 C ATOM 500 CE LYS A 33 6.669 -3.791 5.608 1.00 0.00 C ATOM 501 NZ LYS A 33 6.747 -5.202 6.077 1.00 0.00 N ATOM 0 H LYS A 33 4.405 -0.811 0.722 1.00 0.00 H new ATOM 0 HA LYS A 33 2.950 -2.353 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.370 -2.498 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.573 -0.865 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.630 -1.590 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.087 -2.401 4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.045 -4.449 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.391 -3.763 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.671 -3.429 5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.279 -3.163 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.358 -5.255 6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.794 -5.540 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.143 -5.797 5.322 1.00 0.00 H new ATOM 515 N PHE A 34 3.348 0.672 3.710 1.00 0.00 N ATOM 516 CA PHE A 34 2.811 1.578 4.715 1.00 0.00 C ATOM 517 C PHE A 34 1.454 2.139 4.320 1.00 0.00 C ATOM 518 O PHE A 34 0.721 2.657 5.163 1.00 0.00 O ATOM 519 CB PHE A 34 3.789 2.703 4.993 1.00 0.00 C ATOM 520 CG PHE A 34 4.753 2.405 6.106 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.296 1.997 7.349 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.118 2.535 5.908 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.184 1.723 8.373 1.00 0.00 C ATOM 524 CE2 PHE A 34 7.010 2.263 6.928 1.00 0.00 C ATOM 525 CZ PHE A 34 6.542 1.856 8.162 1.00 0.00 C ATOM 0 H PHE A 34 4.094 1.064 3.135 1.00 0.00 H new ATOM 0 HA PHE A 34 2.667 0.998 5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.352 2.916 4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.230 3.605 5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.235 1.892 7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.490 2.853 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.816 1.405 9.337 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.072 2.369 6.760 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.237 1.642 8.961 1.00 0.00 H new ATOM 535 N GLU A 35 1.118 2.041 3.043 1.00 0.00 N ATOM 536 CA GLU A 35 -0.154 2.548 2.552 1.00 0.00 C ATOM 537 C GLU A 35 -1.312 1.639 2.944 1.00 0.00 C ATOM 538 O GLU A 35 -2.328 2.099 3.468 1.00 0.00 O ATOM 539 CB GLU A 35 -0.109 2.671 1.030 1.00 0.00 C ATOM 540 CG GLU A 35 -0.072 4.105 0.532 1.00 0.00 C ATOM 541 CD GLU A 35 0.441 4.209 -0.890 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.334 3.910 -1.821 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.618 4.584 -1.072 1.00 0.00 O ATOM 0 H GLU A 35 1.708 1.615 2.328 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.317 3.526 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.770 2.144 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.982 2.172 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.074 4.532 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.563 4.699 1.189 1.00 0.00 H new ATOM 550 N SER A 36 -1.173 0.357 2.636 1.00 0.00 N ATOM 551 CA SER A 36 -2.234 -0.610 2.902 1.00 0.00 C ATOM 552 C SER A 36 -1.706 -1.900 3.518 1.00 0.00 C ATOM 553 O SER A 36 -2.457 -2.863 3.678 1.00 0.00 O ATOM 554 CB SER A 36 -2.949 -0.940 1.589 1.00 0.00 C ATOM 555 OG SER A 36 -2.028 -1.404 0.618 1.00 0.00 O ATOM 0 H SER A 36 -0.339 -0.039 2.203 1.00 0.00 H new ATOM 0 HA SER A 36 -2.919 -0.159 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.711 -1.699 1.766 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.462 -0.053 1.216 1.00 0.00 H new ATOM 0 HG SER A 36 -1.746 -0.656 0.051 1.00 0.00 H new ATOM 561 N ASN A 37 -0.418 -1.937 3.838 1.00 0.00 N ATOM 562 CA ASN A 37 0.180 -3.143 4.401 1.00 0.00 C ATOM 563 C ASN A 37 0.020 -4.282 3.407 1.00 0.00 C ATOM 564 O ASN A 37 -0.074 -5.446 3.780 1.00 0.00 O ATOM 565 CB ASN A 37 -0.475 -3.503 5.738 1.00 0.00 C ATOM 566 CG ASN A 37 0.191 -2.814 6.913 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.075 -3.376 7.558 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.234 -1.588 7.197 1.00 0.00 N ATOM 0 H ASN A 37 0.227 -1.156 3.719 1.00 0.00 H new ATOM 0 HA ASN A 37 1.239 -2.966 4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.529 -3.227 5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.432 -4.583 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.176 -1.074 7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.970 -1.160 6.635 1.00 0.00 H new ATOM 575 N PHE A 38 -0.017 -3.900 2.133 1.00 0.00 N ATOM 576 CA PHE A 38 -0.174 -4.810 1.011 1.00 0.00 C ATOM 577 C PHE A 38 -1.550 -5.459 1.015 1.00 0.00 C ATOM 578 O PHE A 38 -1.757 -6.498 0.399 1.00 0.00 O ATOM 579 CB PHE A 38 0.946 -5.856 0.979 1.00 0.00 C ATOM 580 CG PHE A 38 2.311 -5.251 0.814 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.526 -4.240 -0.112 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.377 -5.685 1.583 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.775 -3.677 -0.267 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.631 -5.123 1.433 1.00 0.00 C ATOM 585 CZ PHE A 38 4.830 -4.118 0.506 1.00 0.00 C ATOM 0 H PHE A 38 0.064 -2.924 1.849 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.094 -4.224 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.921 -6.435 1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.762 -6.552 0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.704 -3.890 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.227 -6.471 2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.928 -2.892 -0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.455 -5.469 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.809 -3.678 0.386 1.00 0.00 H new ATOM 595 N ASN A 39 -2.511 -4.815 1.670 1.00 0.00 N ATOM 596 CA ASN A 39 -3.872 -5.327 1.696 1.00 0.00 C ATOM 597 C ASN A 39 -4.553 -4.965 0.385 1.00 0.00 C ATOM 598 O ASN A 39 -4.767 -3.791 0.085 1.00 0.00 O ATOM 599 CB ASN A 39 -4.645 -4.763 2.887 1.00 0.00 C ATOM 600 CG ASN A 39 -6.052 -5.322 2.986 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.396 -6.291 2.310 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.871 -4.714 3.834 1.00 0.00 N ATOM 0 H ASN A 39 -2.372 -3.945 2.185 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.852 -6.411 1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.103 -4.987 3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.694 -3.677 2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.829 -5.047 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.543 -3.914 4.375 1.00 0.00 H new ATOM 609 N THR A 40 -4.843 -5.981 -0.410 1.00 0.00 N ATOM 610 CA THR A 40 -5.444 -5.785 -1.717 1.00 0.00 C ATOM 611 C THR A 40 -6.855 -5.258 -1.580 1.00 0.00 C ATOM 612 O THR A 40 -7.444 -4.748 -2.533 1.00 0.00 O ATOM 613 CB THR A 40 -5.468 -7.102 -2.516 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.706 -7.789 -2.299 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.317 -8.007 -2.103 1.00 0.00 C ATOM 0 H THR A 40 -4.670 -6.957 -0.170 1.00 0.00 H new ATOM 0 HA THR A 40 -4.837 -5.056 -2.254 1.00 0.00 H new ATOM 0 HB THR A 40 -5.365 -6.856 -3.573 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.711 -8.624 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.355 -8.931 -2.681 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.370 -7.500 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.400 -8.240 -1.041 1.00 0.00 H new ATOM 623 N GLN A 41 -7.397 -5.413 -0.386 1.00 0.00 N ATOM 624 CA GLN A 41 -8.748 -4.991 -0.092 1.00 0.00 C ATOM 625 C GLN A 41 -8.782 -3.792 0.858 1.00 0.00 C ATOM 626 O GLN A 41 -9.854 -3.361 1.283 1.00 0.00 O ATOM 627 CB GLN A 41 -9.489 -6.169 0.523 1.00 0.00 C ATOM 628 CG GLN A 41 -10.242 -7.018 -0.490 1.00 0.00 C ATOM 629 CD GLN A 41 -9.981 -8.502 -0.316 1.00 0.00 C ATOM 630 OE1 GLN A 41 -9.763 -8.979 0.798 1.00 0.00 O ATOM 631 NE2 GLN A 41 -10.002 -9.239 -1.420 1.00 0.00 N ATOM 0 H GLN A 41 -6.911 -5.835 0.405 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.227 -4.673 -1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.774 -6.800 1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.194 -5.795 1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.311 -6.827 -0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.953 -6.718 -1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.187 -8.801 -2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.833 -10.243 -1.366 1.00 0.00 H new ATOM 640 N ALA A 42 -7.609 -3.268 1.202 1.00 0.00 N ATOM 641 CA ALA A 42 -7.513 -2.135 2.119 1.00 0.00 C ATOM 642 C ALA A 42 -8.153 -0.871 1.557 1.00 0.00 C ATOM 643 O ALA A 42 -7.835 -0.430 0.449 1.00 0.00 O ATOM 644 CB ALA A 42 -6.062 -1.861 2.471 1.00 0.00 C ATOM 0 H ALA A 42 -6.711 -3.610 0.860 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.066 -2.410 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.007 -1.014 3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.631 -2.741 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.505 -1.631 1.563 1.00 0.00 H new ATOM 650 N THR A 43 -9.043 -0.282 2.351 1.00 0.00 N ATOM 651 CA THR A 43 -9.732 0.948 1.980 1.00 0.00 C ATOM 652 C THR A 43 -9.504 2.011 3.054 1.00 0.00 C ATOM 653 O THR A 43 -9.605 1.720 4.246 1.00 0.00 O ATOM 654 CB THR A 43 -11.246 0.717 1.817 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.911 0.909 3.072 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.531 -0.684 1.298 1.00 0.00 C ATOM 0 H THR A 43 -9.306 -0.644 3.268 1.00 0.00 H new ATOM 0 HA THR A 43 -9.327 1.282 1.025 1.00 0.00 H new ATOM 0 HB THR A 43 -11.622 1.439 1.092 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.873 0.762 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.607 -0.821 1.192 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.051 -0.818 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.139 -1.419 2.001 1.00 0.00 H new ATOM 664 N ASN A 44 -9.189 3.238 2.642 1.00 0.00 N ATOM 665 CA ASN A 44 -8.946 4.317 3.597 1.00 0.00 C ATOM 666 C ASN A 44 -9.752 5.563 3.240 1.00 0.00 C ATOM 667 O ASN A 44 -9.469 6.234 2.247 1.00 0.00 O ATOM 668 CB ASN A 44 -7.456 4.658 3.641 1.00 0.00 C ATOM 669 CG ASN A 44 -6.922 4.730 5.059 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.566 3.711 5.652 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.863 5.936 5.609 1.00 0.00 N ATOM 0 H ASN A 44 -9.097 3.508 1.663 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.267 3.972 4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.897 3.907 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.290 5.614 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.512 6.046 6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.169 6.753 5.080 1.00 0.00 H new ATOM 678 N ARG A 45 -10.759 5.865 4.055 1.00 0.00 N ATOM 679 CA ARG A 45 -11.610 7.029 3.824 1.00 0.00 C ATOM 680 C ARG A 45 -10.980 8.299 4.390 1.00 0.00 C ATOM 681 O ARG A 45 -10.597 8.348 5.559 1.00 0.00 O ATOM 682 CB ARG A 45 -12.990 6.809 4.449 1.00 0.00 C ATOM 683 CG ARG A 45 -12.936 6.308 5.883 1.00 0.00 C ATOM 684 CD ARG A 45 -13.507 7.333 6.851 1.00 0.00 C ATOM 685 NE ARG A 45 -14.863 6.991 7.272 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.187 6.658 8.518 1.00 0.00 C ATOM 687 NH1 ARG A 45 -14.256 6.623 9.463 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.443 6.361 8.821 1.00 0.00 N ATOM 0 H ARG A 45 -11.006 5.320 4.881 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.718 7.154 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.546 7.746 4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.544 6.092 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.495 5.376 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.904 6.085 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.862 7.403 7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.511 8.315 6.379 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.603 7.009 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.289 6.852 9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.508 6.367 10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.162 6.388 8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.690 6.106 9.777 1.00 0.00 H new ATOM 702 N ASN A 46 -10.880 9.326 3.550 1.00 0.00 N ATOM 703 CA ASN A 46 -10.302 10.602 3.959 1.00 0.00 C ATOM 704 C ASN A 46 -11.390 11.649 4.168 1.00 0.00 C ATOM 705 O ASN A 46 -12.573 11.381 3.959 1.00 0.00 O ATOM 706 CB ASN A 46 -9.301 11.092 2.911 1.00 0.00 C ATOM 707 CG ASN A 46 -8.465 9.964 2.339 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.695 9.322 3.054 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.611 9.718 1.042 1.00 0.00 N ATOM 0 H ASN A 46 -11.193 9.299 2.580 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.782 10.450 4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.839 11.588 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.644 11.836 3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.073 8.972 0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.261 10.275 0.487 1.00 0.00 H new ATOM 716 N THR A 47 -10.979 12.841 4.587 1.00 0.00 N ATOM 717 CA THR A 47 -11.916 13.933 4.832 1.00 0.00 C ATOM 718 C THR A 47 -12.078 14.824 3.603 1.00 0.00 C ATOM 719 O THR A 47 -13.038 15.588 3.505 1.00 0.00 O ATOM 720 CB THR A 47 -11.464 14.799 6.022 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.126 15.267 5.808 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.528 14.011 7.322 1.00 0.00 C ATOM 0 H THR A 47 -10.002 13.076 4.764 1.00 0.00 H new ATOM 0 HA THR A 47 -12.876 13.472 5.064 1.00 0.00 H new ATOM 0 HB THR A 47 -12.139 15.651 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.847 15.818 6.569 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.204 14.644 8.148 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.552 13.681 7.498 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.874 13.142 7.253 1.00 0.00 H new ATOM 730 N ASP A 48 -11.134 14.726 2.671 1.00 0.00 N ATOM 731 CA ASP A 48 -11.179 15.530 1.452 1.00 0.00 C ATOM 732 C ASP A 48 -12.366 15.135 0.578 1.00 0.00 C ATOM 733 O ASP A 48 -12.719 15.843 -0.366 1.00 0.00 O ATOM 734 CB ASP A 48 -9.876 15.377 0.666 1.00 0.00 C ATOM 735 CG ASP A 48 -9.689 13.976 0.117 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.253 13.029 0.704 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.978 13.827 -0.899 1.00 0.00 O ATOM 0 H ASP A 48 -10.331 14.100 2.735 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.300 16.574 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.867 16.091 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.034 15.626 1.312 1.00 0.00 H new ATOM 742 N GLY A 49 -12.979 14.002 0.903 1.00 0.00 N ATOM 743 CA GLY A 49 -14.124 13.531 0.143 1.00 0.00 C ATOM 744 C GLY A 49 -13.767 12.415 -0.819 1.00 0.00 C ATOM 745 O GLY A 49 -14.181 12.429 -1.978 1.00 0.00 O ATOM 0 H GLY A 49 -12.704 13.400 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.893 13.180 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.552 14.364 -0.415 1.00 0.00 H new ATOM 749 N SER A 50 -13.000 11.445 -0.334 1.00 0.00 N ATOM 750 CA SER A 50 -12.590 10.312 -1.156 1.00 0.00 C ATOM 751 C SER A 50 -12.112 9.150 -0.295 1.00 0.00 C ATOM 752 O SER A 50 -12.185 9.202 0.933 1.00 0.00 O ATOM 753 CB SER A 50 -11.487 10.727 -2.131 1.00 0.00 C ATOM 754 OG SER A 50 -10.700 11.778 -1.599 1.00 0.00 O ATOM 0 H SER A 50 -12.650 11.420 0.624 1.00 0.00 H new ATOM 0 HA SER A 50 -13.460 9.983 -1.723 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.851 9.869 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.932 11.044 -3.074 1.00 0.00 H new ATOM 0 HG SER A 50 -10.653 11.690 -0.624 1.00 0.00 H new ATOM 760 N THR A 51 -11.632 8.101 -0.951 1.00 0.00 N ATOM 761 CA THR A 51 -11.149 6.918 -0.252 1.00 0.00 C ATOM 762 C THR A 51 -9.950 6.299 -0.963 1.00 0.00 C ATOM 763 O THR A 51 -9.626 6.666 -2.091 1.00 0.00 O ATOM 764 CB THR A 51 -12.260 5.861 -0.129 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.539 6.500 -0.049 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.050 4.986 1.098 1.00 0.00 C ATOM 0 H THR A 51 -11.567 8.046 -1.967 1.00 0.00 H new ATOM 0 HA THR A 51 -10.842 7.240 0.743 1.00 0.00 H new ATOM 0 HB THR A 51 -12.223 5.228 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.244 5.845 -0.236 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.850 4.248 1.160 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.090 4.475 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.059 5.607 1.994 1.00 0.00 H new ATOM 774 N ASP A 52 -9.300 5.355 -0.291 1.00 0.00 N ATOM 775 CA ASP A 52 -8.137 4.672 -0.845 1.00 0.00 C ATOM 776 C ASP A 52 -8.407 3.185 -0.973 1.00 0.00 C ATOM 777 O ASP A 52 -8.057 2.400 -0.092 1.00 0.00 O ATOM 778 CB ASP A 52 -6.912 4.909 0.040 1.00 0.00 C ATOM 779 CG ASP A 52 -6.471 6.359 0.042 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.320 6.935 -1.056 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.277 6.920 1.141 1.00 0.00 O ATOM 0 H ASP A 52 -9.561 5.044 0.645 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.939 5.077 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.139 4.600 1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.090 4.283 -0.307 1.00 0.00 H new ATOM 786 N TYR A 53 -9.030 2.801 -2.081 1.00 0.00 N ATOM 787 CA TYR A 53 -9.344 1.405 -2.318 1.00 0.00 C ATOM 788 C TYR A 53 -8.260 0.736 -3.150 1.00 0.00 C ATOM 789 O TYR A 53 -8.398 0.605 -4.361 1.00 0.00 O ATOM 790 CB TYR A 53 -10.682 1.253 -3.048 1.00 0.00 C ATOM 791 CG TYR A 53 -11.845 1.982 -2.415 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.384 1.556 -1.208 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.418 3.085 -3.036 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.459 2.209 -0.637 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.495 3.741 -2.472 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.012 3.299 -1.272 1.00 0.00 C ATOM 797 OH TYR A 53 -15.084 3.951 -0.708 1.00 0.00 O ATOM 0 H TYR A 53 -9.325 3.436 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.407 0.924 -1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.563 1.610 -4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.927 0.193 -3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.956 0.700 -0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.015 3.435 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.864 1.866 0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.930 4.596 -2.968 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.038 3.872 0.268 1.00 0.00 H new ATOM 807 N GLY A 54 -7.163 0.335 -2.526 1.00 0.00 N ATOM 808 CA GLY A 54 -6.107 -0.304 -3.286 1.00 0.00 C ATOM 809 C GLY A 54 -4.839 -0.482 -2.485 1.00 0.00 C ATOM 810 O GLY A 54 -4.627 0.210 -1.488 1.00 0.00 O ATOM 0 H GLY A 54 -6.985 0.437 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.453 -1.278 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.891 0.292 -4.173 1.00 0.00 H new ATOM 814 N ILE A 55 -3.975 -1.388 -2.935 1.00 0.00 N ATOM 815 CA ILE A 55 -2.707 -1.614 -2.260 1.00 0.00 C ATOM 816 C ILE A 55 -1.879 -0.345 -2.367 1.00 0.00 C ATOM 817 O ILE A 55 -1.048 -0.043 -1.510 1.00 0.00 O ATOM 818 CB ILE A 55 -1.927 -2.789 -2.886 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.701 -3.128 -2.035 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.511 -2.448 -4.309 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.028 -4.424 -2.433 1.00 0.00 C ATOM 0 H ILE A 55 -4.130 -1.971 -3.757 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.905 -1.868 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.578 -3.663 -2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.021 -2.315 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.001 -3.190 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.962 -3.286 -4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.399 -2.250 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.874 -1.563 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.833 -4.600 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.734 -5.248 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.303 -4.359 -3.469 1.00 0.00 H new ATOM 833 N LEU A 56 -2.153 0.408 -3.428 1.00 0.00 N ATOM 834 CA LEU A 56 -1.487 1.672 -3.678 1.00 0.00 C ATOM 835 C LEU A 56 -2.475 2.810 -3.444 1.00 0.00 C ATOM 836 O LEU A 56 -2.202 3.961 -3.784 1.00 0.00 O ATOM 837 CB LEU A 56 -0.943 1.732 -5.114 1.00 0.00 C ATOM 838 CG LEU A 56 0.576 1.920 -5.239 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.052 3.069 -4.362 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.302 0.634 -4.876 1.00 0.00 C ATOM 0 H LEU A 56 -2.843 0.155 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.643 1.769 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.221 0.812 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.437 2.551 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 56 0.806 2.166 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.131 3.184 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.558 3.990 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.809 2.857 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.377 0.784 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.062 0.358 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.987 -0.164 -5.549 1.00 0.00 H new ATOM 852 N GLN A 57 -3.630 2.469 -2.857 1.00 0.00 N ATOM 853 CA GLN A 57 -4.680 3.441 -2.560 1.00 0.00 C ATOM 854 C GLN A 57 -5.364 3.933 -3.831 1.00 0.00 C ATOM 855 O GLN A 57 -5.110 5.052 -4.279 1.00 0.00 O ATOM 856 CB GLN A 57 -4.106 4.629 -1.781 1.00 0.00 C ATOM 857 CG GLN A 57 -3.467 4.237 -0.460 1.00 0.00 C ATOM 858 CD GLN A 57 -3.322 5.411 0.489 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.879 6.491 0.096 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.696 5.205 1.746 1.00 0.00 N ATOM 0 H GLN A 57 -3.858 1.515 -2.577 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.428 2.939 -1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.363 5.133 -2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.903 5.347 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.069 3.463 0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.485 3.805 -0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.058 4.294 2.028 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.622 5.958 2.430 1.00 0.00 H new ATOM 869 N ILE A 58 -6.227 3.101 -4.429 1.00 0.00 N ATOM 870 CA ILE A 58 -6.904 3.495 -5.644 1.00 0.00 C ATOM 871 C ILE A 58 -8.179 4.244 -5.325 1.00 0.00 C ATOM 872 O ILE A 58 -9.234 3.643 -5.114 1.00 0.00 O ATOM 873 CB ILE A 58 -7.228 2.278 -6.534 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.037 1.317 -6.579 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.605 2.733 -7.936 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.726 1.981 -6.948 1.00 0.00 C ATOM 0 H ILE A 58 -6.462 2.169 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.228 4.150 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.079 1.749 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.930 0.841 -5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.248 0.526 -7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.831 1.863 -8.552 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.481 3.379 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.773 3.283 -8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.931 1.235 -6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.813 2.433 -7.936 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.490 2.753 -6.215 1.00 0.00 H new ATOM 888 N ASN A 59 -8.079 5.565 -5.299 1.00 0.00 N ATOM 889 CA ASN A 59 -9.230 6.395 -5.021 1.00 0.00 C ATOM 890 C ASN A 59 -10.227 6.250 -6.156 1.00 0.00 C ATOM 891 O ASN A 59 -10.082 6.879 -7.202 1.00 0.00 O ATOM 892 CB ASN A 59 -8.812 7.858 -4.863 1.00 0.00 C ATOM 893 CG ASN A 59 -9.980 8.761 -4.522 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.057 8.293 -4.151 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.773 10.067 -4.644 1.00 0.00 N ATOM 0 H ASN A 59 -7.214 6.079 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.690 6.075 -4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.057 7.934 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.349 8.202 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.522 10.725 -4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.865 10.413 -4.955 1.00 0.00 H new ATOM 902 N SER A 60 -11.235 5.415 -5.949 1.00 0.00 N ATOM 903 CA SER A 60 -12.257 5.186 -6.966 1.00 0.00 C ATOM 904 C SER A 60 -12.993 6.476 -7.322 1.00 0.00 C ATOM 905 O SER A 60 -13.750 6.515 -8.292 1.00 0.00 O ATOM 906 CB SER A 60 -13.256 4.134 -6.481 1.00 0.00 C ATOM 907 OG SER A 60 -14.140 4.678 -5.516 1.00 0.00 O ATOM 0 H SER A 60 -11.369 4.884 -5.088 1.00 0.00 H new ATOM 0 HA SER A 60 -11.756 4.825 -7.864 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.827 3.752 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.719 3.288 -6.051 1.00 0.00 H new ATOM 0 HG SER A 60 -13.878 4.371 -4.623 1.00 0.00 H new ATOM 913 N ARG A 61 -12.769 7.529 -6.540 1.00 0.00 N ATOM 914 CA ARG A 61 -13.417 8.812 -6.790 1.00 0.00 C ATOM 915 C ARG A 61 -12.597 9.650 -7.766 1.00 0.00 C ATOM 916 O ARG A 61 -13.126 10.174 -8.745 1.00 0.00 O ATOM 917 CB ARG A 61 -13.610 9.575 -5.478 1.00 0.00 C ATOM 918 CG ARG A 61 -14.405 10.862 -5.633 1.00 0.00 C ATOM 919 CD ARG A 61 -15.901 10.600 -5.591 1.00 0.00 C ATOM 920 NE ARG A 61 -16.581 11.464 -4.630 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.882 12.738 -4.864 1.00 0.00 C ATOM 922 NH1 ARG A 61 -16.563 13.294 -6.026 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.501 13.456 -3.939 1.00 0.00 N ATOM 0 H ARG A 61 -12.147 7.519 -5.732 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.394 8.620 -7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.118 8.928 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.632 9.810 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.134 11.557 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.145 11.340 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.325 10.757 -6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.079 9.557 -5.330 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.840 11.067 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.086 12.744 -6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.794 14.271 -6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.748 13.032 -3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.731 14.433 -4.121 1.00 0.00 H new ATOM 937 N TRP A 62 -11.301 9.769 -7.491 1.00 0.00 N ATOM 938 CA TRP A 62 -10.408 10.542 -8.345 1.00 0.00 C ATOM 939 C TRP A 62 -9.869 9.682 -9.485 1.00 0.00 C ATOM 940 O TRP A 62 -9.273 10.194 -10.430 1.00 0.00 O ATOM 941 CB TRP A 62 -9.246 11.110 -7.527 1.00 0.00 C ATOM 942 CG TRP A 62 -8.911 12.528 -7.874 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.459 12.993 -9.076 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.001 13.667 -7.010 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.263 14.352 -9.011 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.588 14.789 -7.754 1.00 0.00 C ATOM 947 CE3 TRP A 62 -9.391 13.847 -5.680 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.554 16.071 -7.212 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -9.357 15.121 -5.143 1.00 0.00 C ATOM 950 CH2 TRP A 62 -8.942 16.218 -5.908 1.00 0.00 C ATOM 0 H TRP A 62 -10.847 9.340 -6.684 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.979 11.367 -8.771 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.495 11.052 -6.467 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.364 10.488 -7.682 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.282 12.383 -9.949 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.930 14.940 -9.775 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -9.713 13.007 -5.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.233 16.919 -7.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -9.656 15.272 -4.116 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -8.928 17.200 -5.460 1.00 0.00 H new ATOM 961 N TRP A 63 -10.098 8.375 -9.392 1.00 0.00 N ATOM 962 CA TRP A 63 -9.651 7.437 -10.418 1.00 0.00 C ATOM 963 C TRP A 63 -10.698 6.354 -10.648 1.00 0.00 C ATOM 964 O TRP A 63 -11.521 6.083 -9.777 1.00 0.00 O ATOM 965 CB TRP A 63 -8.329 6.764 -10.022 1.00 0.00 C ATOM 966 CG TRP A 63 -7.261 7.713 -9.580 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.664 7.780 -8.353 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.657 8.726 -10.376 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.720 8.782 -8.345 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.700 9.379 -9.579 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.839 9.141 -11.689 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.925 10.431 -10.063 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.079 10.180 -12.170 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.129 10.819 -11.361 1.00 0.00 C ATOM 0 H TRP A 63 -10.593 7.940 -8.613 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.502 8.010 -11.333 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.523 6.054 -9.218 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.959 6.190 -10.871 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.898 7.142 -7.514 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.132 9.038 -7.552 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.566 8.655 -12.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.192 10.921 -9.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.216 10.510 -13.189 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.547 11.632 -11.769 1.00 0.00 H new ATOM 985 N CYS A 64 -10.620 5.719 -11.813 1.00 0.00 N ATOM 986 CA CYS A 64 -11.518 4.627 -12.192 1.00 0.00 C ATOM 987 C CYS A 64 -12.994 4.948 -11.989 1.00 0.00 C ATOM 988 O CYS A 64 -13.376 5.720 -11.111 1.00 0.00 O ATOM 989 CB CYS A 64 -11.156 3.349 -11.420 1.00 0.00 C ATOM 990 SG CYS A 64 -12.002 3.164 -9.812 1.00 0.00 S ATOM 0 H CYS A 64 -9.928 5.947 -12.527 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.375 4.478 -13.262 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.393 2.486 -12.042 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.079 3.335 -11.252 1.00 0.00 H new ATOM 995 N ASN A 65 -13.824 4.326 -12.817 1.00 0.00 N ATOM 996 CA ASN A 65 -15.268 4.514 -12.742 1.00 0.00 C ATOM 997 C ASN A 65 -15.904 3.380 -11.944 1.00 0.00 C ATOM 998 O ASN A 65 -15.963 2.240 -12.405 1.00 0.00 O ATOM 999 CB ASN A 65 -15.874 4.569 -14.146 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.366 4.841 -14.122 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.829 5.770 -13.458 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.127 4.030 -14.846 1.00 0.00 N ATOM 0 H ASN A 65 -13.521 3.685 -13.550 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.469 5.459 -12.238 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.375 5.347 -14.724 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.688 3.624 -14.656 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.138 4.163 -14.868 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.701 3.273 -15.381 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.369 3.697 -10.740 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.988 2.700 -9.875 1.00 0.00 C ATOM 1011 C ASP A 66 -18.509 2.733 -9.986 1.00 0.00 C ATOM 1012 O ASP A 66 -19.186 1.773 -9.622 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.563 2.924 -8.422 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.154 4.189 -7.832 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.331 5.170 -8.584 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.439 4.200 -6.616 1.00 0.00 O ATOM 0 H ASP A 66 -16.329 4.635 -10.342 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.648 1.717 -10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.871 2.068 -7.821 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.476 2.976 -8.369 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.043 3.841 -10.495 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.481 3.968 -10.648 1.00 0.00 C ATOM 1023 C GLY A 67 -21.203 4.147 -9.325 1.00 0.00 C ATOM 1024 O GLY A 67 -22.390 4.470 -9.299 1.00 0.00 O ATOM 0 H GLY A 67 -18.506 4.651 -10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.699 4.819 -11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.868 3.081 -11.150 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.489 3.936 -8.223 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.073 4.075 -6.894 1.00 0.00 C ATOM 1030 C ARG A 68 -21.057 5.531 -6.441 1.00 0.00 C ATOM 1031 O ARG A 68 -21.506 5.855 -5.342 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.317 3.207 -5.888 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.202 2.632 -4.793 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.900 3.264 -3.443 1.00 0.00 C ATOM 1035 NE ARG A 68 -22.064 3.946 -2.885 1.00 0.00 N ATOM 1036 CZ ARG A 68 -22.705 3.539 -1.794 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.294 2.457 -1.145 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -23.756 4.213 -1.350 1.00 0.00 N ATOM 0 H ARG A 68 -19.505 3.668 -8.225 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.109 3.741 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.833 2.388 -6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.526 3.801 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -22.249 2.796 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.054 1.554 -4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.564 2.493 -2.749 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.081 3.975 -3.551 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.405 4.782 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -21.485 1.936 -1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -22.787 2.146 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -24.074 5.046 -1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -24.247 3.899 -0.513 1.00 0.00 H new ATOM 1052 N THR A 69 -20.536 6.405 -7.297 1.00 0.00 N ATOM 1053 CA THR A 69 -20.461 7.827 -6.987 1.00 0.00 C ATOM 1054 C THR A 69 -20.640 8.674 -8.244 1.00 0.00 C ATOM 1055 O THR A 69 -19.988 8.436 -9.260 1.00 0.00 O ATOM 1056 CB THR A 69 -19.116 8.189 -6.328 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.620 7.070 -5.583 1.00 0.00 O ATOM 1058 CG2 THR A 69 -19.269 9.389 -5.408 1.00 0.00 C ATOM 0 H THR A 69 -20.160 6.152 -8.211 1.00 0.00 H new ATOM 0 HA THR A 69 -21.270 8.040 -6.288 1.00 0.00 H new ATOM 0 HB THR A 69 -18.407 8.445 -7.116 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.764 7.307 -5.168 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.306 9.625 -4.955 1.00 0.00 H new ATOM 0 HG22 THR A 69 -19.619 10.246 -5.983 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.991 9.158 -4.625 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.531 9.682 -8.194 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.789 10.564 -9.336 1.00 0.00 C ATOM 1068 C PRO A 70 -20.620 11.502 -9.619 1.00 0.00 C ATOM 1069 O PRO A 70 -20.657 12.288 -10.566 1.00 0.00 O ATOM 1070 CB PRO A 70 -23.021 11.360 -8.901 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.963 11.359 -7.412 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.354 10.040 -7.021 1.00 0.00 C ATOM 0 HA PRO A 70 -21.933 10.003 -10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.998 12.375 -9.298 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.940 10.898 -9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.362 12.191 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.959 11.471 -6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.750 10.128 -6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -23.118 9.288 -6.821 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.585 11.413 -8.790 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.419 12.259 -8.966 1.00 0.00 C ATOM 1082 C GLY A 71 -17.272 11.535 -9.644 1.00 0.00 C ATOM 1083 O GLY A 71 -16.226 12.129 -9.907 1.00 0.00 O ATOM 0 H GLY A 71 -19.533 10.770 -8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.694 13.132 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.089 12.624 -7.993 1.00 0.00 H new ATOM 1087 N SER A 72 -17.469 10.249 -9.924 1.00 0.00 N ATOM 1088 CA SER A 72 -16.443 9.438 -10.574 1.00 0.00 C ATOM 1089 C SER A 72 -15.924 10.118 -11.837 1.00 0.00 C ATOM 1090 O SER A 72 -16.596 10.132 -12.869 1.00 0.00 O ATOM 1091 CB SER A 72 -17.002 8.056 -10.919 1.00 0.00 C ATOM 1092 OG SER A 72 -16.000 7.059 -10.816 1.00 0.00 O ATOM 0 H SER A 72 -18.330 9.746 -9.711 1.00 0.00 H new ATOM 0 HA SER A 72 -15.611 9.326 -9.879 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.827 7.817 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.406 8.066 -11.931 1.00 0.00 H new ATOM 0 HG SER A 72 -16.093 6.589 -9.961 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.726 10.685 -11.743 1.00 0.00 N ATOM 1099 CA ARG A 73 -14.113 11.373 -12.874 1.00 0.00 C ATOM 1100 C ARG A 73 -13.720 10.386 -13.970 1.00 0.00 C ATOM 1101 O ARG A 73 -13.870 10.675 -15.157 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.882 12.156 -12.414 1.00 0.00 C ATOM 1103 CG ARG A 73 -13.115 13.655 -12.321 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.425 14.252 -11.105 1.00 0.00 C ATOM 1105 NE ARG A 73 -13.377 14.600 -10.053 1.00 0.00 N ATOM 1106 CZ ARG A 73 -13.195 15.598 -9.194 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.101 16.345 -9.262 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -14.108 15.851 -8.266 1.00 0.00 N ATOM 0 H ARG A 73 -14.160 10.682 -10.895 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.847 12.067 -13.283 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.569 11.784 -11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.061 11.966 -13.106 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.744 14.139 -13.225 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.185 13.855 -12.268 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.697 13.540 -10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.872 15.143 -11.403 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.230 14.046 -9.973 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.397 16.154 -9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.964 17.110 -8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.951 15.279 -8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.967 16.617 -7.607 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.206 9.228 -13.561 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.776 8.197 -14.504 1.00 0.00 C ATOM 1124 C ASN A 74 -11.554 8.678 -15.271 1.00 0.00 C ATOM 1125 O ASN A 74 -11.392 8.400 -16.459 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.907 7.841 -15.474 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.731 6.465 -16.085 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.269 5.534 -15.425 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.100 6.329 -17.354 1.00 0.00 N ATOM 0 H ASN A 74 -13.077 8.979 -12.580 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.516 7.299 -13.944 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.860 7.883 -14.947 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.949 8.586 -16.269 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.005 5.426 -17.819 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.478 7.128 -17.864 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.687 9.387 -14.560 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.457 9.906 -15.113 1.00 0.00 C ATOM 1138 C LEU A 75 -8.591 8.791 -15.625 1.00 0.00 C ATOM 1139 O LEU A 75 -8.061 8.814 -16.736 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.711 10.594 -13.996 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.943 12.099 -13.878 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.247 12.657 -12.645 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.466 12.816 -15.133 1.00 0.00 C ATOM 0 H LEU A 75 -10.825 9.616 -13.576 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.688 10.584 -15.934 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.992 10.126 -13.053 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.644 10.418 -14.133 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.014 12.270 -13.772 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.426 13.730 -12.581 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.641 12.170 -11.753 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.175 12.471 -12.717 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.640 13.887 -15.029 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.401 12.634 -15.273 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.015 12.442 -15.997 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.470 7.826 -14.760 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.692 6.651 -15.002 1.00 0.00 C ATOM 1157 C CYS A 76 -8.408 5.748 -15.996 1.00 0.00 C ATOM 1158 O CYS A 76 -7.779 5.021 -16.765 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.500 5.964 -13.671 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.815 5.355 -13.366 1.00 0.00 S ATOM 0 H CYS A 76 -8.921 7.837 -13.845 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.723 6.898 -15.436 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.770 6.660 -12.876 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.192 5.124 -13.608 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.738 5.807 -15.961 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.567 4.998 -16.846 1.00 0.00 C ATOM 1167 C ASN A 77 -10.173 3.538 -16.709 1.00 0.00 C ATOM 1168 O ASN A 77 -9.861 2.865 -17.693 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.412 5.457 -18.297 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.603 5.076 -19.155 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.146 3.978 -19.030 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.017 5.983 -20.031 1.00 0.00 N ATOM 0 H ASN A 77 -10.264 6.409 -15.327 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.613 5.118 -16.563 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.282 6.539 -18.321 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.508 5.018 -18.719 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.815 5.783 -20.634 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.537 6.880 -20.101 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.170 3.063 -15.471 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.791 1.692 -15.184 1.00 0.00 C ATOM 1181 C ILE A 78 -10.866 0.963 -14.388 1.00 0.00 C ATOM 1182 O ILE A 78 -11.655 1.589 -13.683 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.461 1.636 -14.403 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.720 1.436 -12.900 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.665 2.902 -14.659 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.726 2.134 -11.994 1.00 0.00 C ATOM 0 H ILE A 78 -10.427 3.611 -14.650 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.669 1.194 -16.146 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.879 0.783 -14.751 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.722 1.796 -12.666 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.706 0.368 -12.680 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.726 2.860 -14.106 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.455 2.990 -15.725 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.241 3.767 -14.330 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.984 1.940 -10.953 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.723 1.758 -12.196 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.755 3.208 -12.181 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.892 -0.377 -14.457 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.844 -1.177 -13.704 1.00 0.00 C ATOM 1200 C PRO A 79 -11.391 -1.276 -12.255 1.00 0.00 C ATOM 1201 O PRO A 79 -10.390 -1.927 -11.953 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.806 -2.552 -14.389 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.832 -2.428 -15.523 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.984 -1.222 -15.236 1.00 0.00 C ATOM 0 HA PRO A 79 -12.849 -0.756 -13.692 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.492 -3.327 -13.689 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.794 -2.833 -14.754 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.216 -3.324 -15.603 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.356 -2.315 -16.472 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.087 -1.481 -14.673 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.655 -0.729 -16.151 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.112 -0.609 -11.363 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.760 -0.602 -9.949 1.00 0.00 C ATOM 1214 C CYS A 80 -11.709 -2.017 -9.374 1.00 0.00 C ATOM 1215 O CYS A 80 -10.683 -2.439 -8.845 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.749 0.270 -9.174 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.375 1.696 -10.128 1.00 0.00 S ATOM 0 H CYS A 80 -12.944 -0.066 -11.594 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.760 -0.180 -9.847 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.593 -0.344 -8.860 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.266 0.635 -8.268 1.00 0.00 H new ATOM 1222 N SER A 81 -12.817 -2.743 -9.468 1.00 0.00 N ATOM 1223 CA SER A 81 -12.890 -4.107 -8.943 1.00 0.00 C ATOM 1224 C SER A 81 -11.804 -5.007 -9.538 1.00 0.00 C ATOM 1225 O SER A 81 -11.457 -6.035 -8.954 1.00 0.00 O ATOM 1226 CB SER A 81 -14.268 -4.707 -9.220 1.00 0.00 C ATOM 1227 OG SER A 81 -14.649 -4.509 -10.571 1.00 0.00 O ATOM 0 H SER A 81 -13.679 -2.412 -9.902 1.00 0.00 H new ATOM 0 HA SER A 81 -12.725 -4.051 -7.867 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.256 -5.773 -8.995 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.006 -4.251 -8.560 1.00 0.00 H new ATOM 0 HG SER A 81 -15.533 -4.903 -10.723 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.271 -4.627 -10.697 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.230 -5.417 -11.356 1.00 0.00 C ATOM 1235 C ALA A 82 -8.905 -5.330 -10.604 1.00 0.00 C ATOM 1236 O ALA A 82 -7.961 -6.062 -10.900 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.048 -4.961 -12.795 1.00 0.00 C ATOM 0 H ALA A 82 -11.540 -3.781 -11.199 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.551 -6.459 -11.352 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.270 -5.559 -13.270 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.985 -5.087 -13.338 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.758 -3.910 -12.810 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.849 -4.435 -9.626 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.645 -4.252 -8.823 1.00 0.00 C ATOM 1245 C LEU A 83 -7.802 -4.918 -7.463 1.00 0.00 C ATOM 1246 O LEU A 83 -6.844 -5.024 -6.697 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.336 -2.760 -8.649 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.995 -2.086 -7.443 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.013 -1.981 -6.286 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.519 -0.710 -7.824 1.00 0.00 C ATOM 0 H LEU A 83 -9.624 -3.823 -9.369 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.812 -4.722 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.256 -2.638 -8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.648 -2.235 -9.552 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.837 -2.700 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.500 -1.499 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.684 -2.979 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.151 -1.389 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.985 -0.245 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.693 -0.089 -8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.256 -0.809 -8.621 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.020 -5.352 -7.167 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.317 -5.994 -5.895 1.00 0.00 C ATOM 1264 C LEU A 84 -9.580 -7.484 -6.077 1.00 0.00 C ATOM 1265 O LEU A 84 -10.465 -8.054 -5.438 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.524 -5.311 -5.258 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.662 -3.832 -5.615 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.120 -3.403 -5.587 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.829 -2.976 -4.672 1.00 0.00 C ATOM 0 H LEU A 84 -9.821 -5.270 -7.794 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.452 -5.893 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.429 -5.834 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.453 -5.407 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.288 -3.689 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.193 -2.346 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.687 -3.992 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.527 -3.562 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.939 -1.925 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.170 -3.126 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.780 -3.263 -4.751 1.00 0.00 H new ATOM 1281 N SER A 85 -8.792 -8.113 -6.942 1.00 0.00 N ATOM 1282 CA SER A 85 -8.925 -9.544 -7.197 1.00 0.00 C ATOM 1283 C SER A 85 -7.598 -10.248 -6.983 1.00 0.00 C ATOM 1284 O SER A 85 -7.249 -11.197 -7.686 1.00 0.00 O ATOM 1285 CB SER A 85 -9.448 -9.800 -8.611 1.00 0.00 C ATOM 1286 OG SER A 85 -9.104 -8.737 -9.483 1.00 0.00 O ATOM 0 H SER A 85 -8.055 -7.656 -7.478 1.00 0.00 H new ATOM 0 HA SER A 85 -9.649 -9.949 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.035 -10.734 -8.991 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.531 -9.917 -8.586 1.00 0.00 H new ATOM 0 HG SER A 85 -9.448 -8.926 -10.381 1.00 0.00 H new ATOM 1292 N SER A 86 -6.867 -9.742 -6.007 1.00 0.00 N ATOM 1293 CA SER A 86 -5.550 -10.262 -5.650 1.00 0.00 C ATOM 1294 C SER A 86 -4.591 -9.937 -6.772 1.00 0.00 C ATOM 1295 O SER A 86 -3.572 -10.601 -6.970 1.00 0.00 O ATOM 1296 CB SER A 86 -5.601 -11.772 -5.404 1.00 0.00 C ATOM 1297 OG SER A 86 -6.663 -12.112 -4.531 1.00 0.00 O ATOM 0 H SER A 86 -7.168 -8.954 -5.433 1.00 0.00 H new ATOM 0 HA SER A 86 -5.213 -9.796 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.725 -12.294 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.655 -12.106 -4.978 1.00 0.00 H new ATOM 0 HG SER A 86 -6.674 -13.082 -4.392 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.973 -8.923 -7.526 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.225 -8.476 -8.679 1.00 0.00 C ATOM 1305 C ASP A 87 -3.867 -7.001 -8.565 1.00 0.00 C ATOM 1306 O ASP A 87 -4.751 -6.146 -8.515 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.098 -8.709 -9.900 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.330 -8.613 -11.203 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.174 -9.085 -11.248 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.884 -8.067 -12.180 1.00 0.00 O ATOM 0 H ASP A 87 -5.820 -8.383 -7.351 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.289 -9.029 -8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.559 -9.694 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.907 -7.978 -9.906 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.572 -6.698 -8.532 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.124 -5.315 -8.433 1.00 0.00 C ATOM 1317 C ILE A 88 -2.078 -4.658 -9.803 1.00 0.00 C ATOM 1318 O ILE A 88 -1.827 -3.463 -9.912 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.726 -5.204 -7.790 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.130 -6.423 -8.140 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.844 -5.047 -6.284 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.615 -6.128 -8.169 1.00 0.00 C ATOM 0 H ILE A 88 -1.821 -7.387 -8.572 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.847 -4.803 -7.798 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.234 -4.318 -8.191 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.062 -7.213 -7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.176 -6.805 -9.114 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.152 -4.970 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.411 -4.145 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.357 -5.913 -5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.161 -7.036 -8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.819 -5.360 -8.916 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.935 -5.775 -7.189 1.00 0.00 H new ATOM 1334 N THR A 89 -2.303 -5.449 -10.848 1.00 0.00 N ATOM 1335 CA THR A 89 -2.272 -4.941 -12.215 1.00 0.00 C ATOM 1336 C THR A 89 -3.097 -3.667 -12.366 1.00 0.00 C ATOM 1337 O THR A 89 -2.580 -2.634 -12.783 1.00 0.00 O ATOM 1338 CB THR A 89 -2.787 -5.992 -13.216 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.164 -7.256 -12.963 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.506 -5.560 -14.647 1.00 0.00 C ATOM 0 H THR A 89 -2.509 -6.445 -10.774 1.00 0.00 H new ATOM 0 HA THR A 89 -1.229 -4.714 -12.434 1.00 0.00 H new ATOM 0 HB THR A 89 -3.865 -6.086 -13.087 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.498 -7.919 -13.603 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.879 -6.318 -15.336 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.006 -4.612 -14.846 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.432 -5.440 -14.786 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.386 -3.750 -12.048 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.277 -2.612 -12.172 1.00 0.00 C ATOM 1350 C ALA A 90 -4.855 -1.444 -11.277 1.00 0.00 C ATOM 1351 O ALA A 90 -4.805 -0.298 -11.725 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.706 -3.027 -11.866 1.00 0.00 C ATOM 0 H ALA A 90 -4.833 -4.599 -11.702 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.217 -2.263 -13.203 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.364 -2.164 -11.963 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.018 -3.801 -12.567 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.763 -3.414 -10.849 1.00 0.00 H new ATOM 1358 N SER A 91 -4.548 -1.740 -10.016 1.00 0.00 N ATOM 1359 CA SER A 91 -4.127 -0.707 -9.068 1.00 0.00 C ATOM 1360 C SER A 91 -2.833 -0.045 -9.515 1.00 0.00 C ATOM 1361 O SER A 91 -2.638 1.160 -9.329 1.00 0.00 O ATOM 1362 CB SER A 91 -3.945 -1.309 -7.674 1.00 0.00 C ATOM 1363 OG SER A 91 -4.236 -2.696 -7.672 1.00 0.00 O ATOM 0 H SER A 91 -4.582 -2.682 -9.627 1.00 0.00 H new ATOM 0 HA SER A 91 -4.908 0.053 -9.034 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.921 -1.149 -7.337 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.597 -0.797 -6.966 1.00 0.00 H new ATOM 0 HG SER A 91 -4.110 -3.055 -6.769 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.953 -0.832 -10.110 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.691 -0.298 -10.577 1.00 0.00 C ATOM 1371 C VAL A 92 -0.884 0.514 -11.836 1.00 0.00 C ATOM 1372 O VAL A 92 -0.413 1.634 -11.916 1.00 0.00 O ATOM 1373 CB VAL A 92 0.378 -1.372 -10.843 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.562 -0.753 -11.584 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.829 -2.016 -9.540 1.00 0.00 C ATOM 0 H VAL A 92 -2.088 -1.829 -10.278 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.329 0.331 -9.764 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.055 -2.153 -11.468 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.316 -1.518 -11.769 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.222 -0.341 -12.534 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.995 0.043 -10.978 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.585 -2.772 -9.751 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.251 -1.254 -8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.025 -2.483 -9.050 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.578 -0.046 -12.817 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.818 0.649 -14.054 1.00 0.00 C ATOM 1387 C ASN A 93 -2.237 2.083 -13.781 1.00 0.00 C ATOM 1388 O ASN A 93 -1.796 3.017 -14.454 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.870 -0.087 -14.864 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.070 0.773 -15.210 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.008 1.616 -16.105 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -5.173 0.563 -14.500 1.00 0.00 N ATOM 0 H ASN A 93 -1.981 -0.982 -12.771 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.896 0.676 -14.635 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.418 -0.455 -15.785 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.206 -0.959 -14.303 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.013 1.111 -14.688 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.180 -0.146 -13.767 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.077 2.248 -12.769 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.544 3.565 -12.387 1.00 0.00 C ATOM 1401 C CYS A 94 -2.387 4.410 -11.873 1.00 0.00 C ATOM 1402 O CYS A 94 -2.215 5.554 -12.292 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.635 3.469 -11.324 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.843 4.827 -11.406 1.00 0.00 S ATOM 0 H CYS A 94 -3.446 1.485 -12.201 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.966 4.043 -13.271 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.158 2.519 -11.436 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.172 3.464 -10.337 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.592 3.846 -10.964 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.458 4.581 -10.413 1.00 0.00 C ATOM 1411 C ALA A 95 0.626 4.769 -11.461 1.00 0.00 C ATOM 1412 O ALA A 95 1.277 5.804 -11.502 1.00 0.00 O ATOM 1413 CB ALA A 95 0.099 3.907 -9.186 1.00 0.00 C ATOM 0 H ALA A 95 -1.710 2.900 -10.600 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.822 5.564 -10.113 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.942 4.484 -8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.675 3.847 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.434 2.902 -9.443 1.00 0.00 H new ATOM 1419 N LYS A 96 0.800 3.772 -12.324 1.00 0.00 N ATOM 1420 CA LYS A 96 1.783 3.864 -13.387 1.00 0.00 C ATOM 1421 C LYS A 96 1.523 5.167 -14.126 1.00 0.00 C ATOM 1422 O LYS A 96 2.438 5.890 -14.527 1.00 0.00 O ATOM 1423 CB LYS A 96 1.655 2.677 -14.345 1.00 0.00 C ATOM 1424 CG LYS A 96 2.991 2.079 -14.754 1.00 0.00 C ATOM 1425 CD LYS A 96 2.811 0.752 -15.473 1.00 0.00 C ATOM 1426 CE LYS A 96 2.720 0.940 -16.978 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.237 -0.243 -17.719 1.00 0.00 N ATOM 0 H LYS A 96 0.274 2.898 -12.305 1.00 0.00 H new ATOM 0 HA LYS A 96 2.792 3.844 -12.976 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.049 1.903 -13.873 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.121 2.998 -15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.520 2.777 -15.403 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.612 1.934 -13.870 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.647 0.094 -15.238 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.907 0.261 -15.112 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.682 1.119 -17.259 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.286 1.825 -17.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.157 -0.074 -18.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.235 -0.399 -17.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.681 -1.084 -17.462 1.00 0.00 H new ATOM 1441 N LYS A 97 0.232 5.463 -14.238 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.237 6.686 -14.865 1.00 0.00 C ATOM 1443 C LYS A 97 -0.116 7.841 -13.879 1.00 0.00 C ATOM 1444 O LYS A 97 0.122 8.984 -14.271 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.689 6.533 -15.325 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.828 5.916 -16.707 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.909 6.609 -17.520 1.00 0.00 C ATOM 1448 CE LYS A 97 -2.963 6.077 -18.942 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.587 4.726 -19.007 1.00 0.00 N ATOM 0 H LYS A 97 -0.516 4.859 -13.896 1.00 0.00 H new ATOM 0 HA LYS A 97 0.378 6.893 -15.741 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.226 5.916 -14.605 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.167 7.513 -15.324 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.876 5.983 -17.234 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.066 4.857 -16.611 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.876 6.464 -17.039 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.720 7.682 -17.539 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.528 6.768 -19.567 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.954 6.031 -19.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.605 4.399 -19.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.033 4.060 -18.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.559 4.775 -18.641 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.265 7.529 -12.590 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.154 8.537 -11.546 1.00 0.00 C ATOM 1465 C ILE A 98 1.250 9.138 -11.534 1.00 0.00 C ATOM 1466 O ILE A 98 1.419 10.357 -11.532 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.489 7.968 -10.151 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.978 7.616 -10.069 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.124 8.972 -9.066 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.368 6.912 -8.786 1.00 0.00 C ATOM 0 H ILE A 98 -0.462 6.588 -12.250 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.883 9.315 -11.772 1.00 0.00 H new ATOM 0 HB ILE A 98 0.096 7.062 -9.995 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.564 8.530 -10.164 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.239 6.981 -10.915 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.366 8.555 -8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.943 9.188 -9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.687 9.893 -9.218 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.436 6.695 -8.800 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.809 5.980 -8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.139 7.554 -7.935 1.00 0.00 H new ATOM 1482 N VAL A 99 2.250 8.262 -11.527 1.00 0.00 N ATOM 1483 CA VAL A 99 3.645 8.682 -11.516 1.00 0.00 C ATOM 1484 C VAL A 99 4.088 9.170 -12.893 1.00 0.00 C ATOM 1485 O VAL A 99 5.056 9.922 -13.008 1.00 0.00 O ATOM 1486 CB VAL A 99 4.573 7.547 -11.046 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.829 6.547 -12.164 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.881 8.115 -10.516 1.00 0.00 C ATOM 0 H VAL A 99 2.117 7.251 -11.529 1.00 0.00 H new ATOM 0 HA VAL A 99 3.721 9.508 -10.809 1.00 0.00 H new ATOM 0 HB VAL A 99 4.075 7.016 -10.235 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.487 5.757 -11.802 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.883 6.112 -12.486 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.300 7.055 -13.006 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.525 7.299 -10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.380 8.677 -11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.676 8.776 -9.674 1.00 0.00 H new ATOM 1498 N SER A 100 3.366 8.758 -13.934 1.00 0.00 N ATOM 1499 CA SER A 100 3.686 9.181 -15.293 1.00 0.00 C ATOM 1500 C SER A 100 3.007 10.511 -15.604 1.00 0.00 C ATOM 1501 O SER A 100 3.285 11.144 -16.623 1.00 0.00 O ATOM 1502 CB SER A 100 3.248 8.121 -16.304 1.00 0.00 C ATOM 1503 OG SER A 100 3.828 8.357 -17.575 1.00 0.00 O ATOM 0 H SER A 100 2.561 8.136 -13.862 1.00 0.00 H new ATOM 0 HA SER A 100 4.766 9.307 -15.368 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.537 7.132 -15.947 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.161 8.124 -16.391 1.00 0.00 H new ATOM 0 HG SER A 100 3.868 9.322 -17.742 1.00 0.00 H new ATOM 1509 N ASP A 101 2.113 10.925 -14.710 1.00 0.00 N ATOM 1510 CA ASP A 101 1.384 12.178 -14.872 1.00 0.00 C ATOM 1511 C ASP A 101 2.025 13.292 -14.048 1.00 0.00 C ATOM 1512 O ASP A 101 1.600 14.446 -14.110 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.079 12.002 -14.460 1.00 0.00 C ATOM 1514 CG ASP A 101 -1.013 11.955 -15.652 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.792 11.113 -16.548 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.968 12.760 -15.691 1.00 0.00 O ATOM 0 H ASP A 101 1.876 10.408 -13.863 1.00 0.00 H new ATOM 0 HA ASP A 101 1.426 12.458 -15.925 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.183 11.083 -13.884 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.371 12.823 -13.805 1.00 0.00 H new ATOM 1521 N GLY A 102 3.049 12.937 -13.278 1.00 0.00 N ATOM 1522 CA GLY A 102 3.733 13.919 -12.455 1.00 0.00 C ATOM 1523 C GLY A 102 3.444 13.744 -10.975 1.00 0.00 C ATOM 1524 O GLY A 102 3.089 14.702 -10.289 1.00 0.00 O ATOM 0 H GLY A 102 3.417 11.988 -13.209 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.807 13.843 -12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.432 14.920 -12.764 1.00 0.00 H new ATOM 1528 N ASN A 103 3.599 12.519 -10.484 1.00 0.00 N ATOM 1529 CA ASN A 103 3.356 12.221 -9.077 1.00 0.00 C ATOM 1530 C ASN A 103 4.216 11.049 -8.615 1.00 0.00 C ATOM 1531 O ASN A 103 3.885 9.890 -8.856 1.00 0.00 O ATOM 1532 CB ASN A 103 1.877 11.905 -8.847 1.00 0.00 C ATOM 1533 CG ASN A 103 1.018 13.154 -8.805 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.057 13.287 -9.562 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.362 14.078 -7.914 1.00 0.00 N ATOM 0 H ASN A 103 3.892 11.716 -11.040 1.00 0.00 H new ATOM 0 HA ASN A 103 3.626 13.101 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.521 11.249 -9.641 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.766 11.360 -7.910 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.821 14.939 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.167 13.926 -7.306 1.00 0.00 H new ATOM 1542 N GLY A 104 5.320 11.360 -7.944 1.00 0.00 N ATOM 1543 CA GLY A 104 6.209 10.322 -7.455 1.00 0.00 C ATOM 1544 C GLY A 104 5.637 9.585 -6.261 1.00 0.00 C ATOM 1545 O GLY A 104 4.428 9.380 -6.173 1.00 0.00 O ATOM 0 H GLY A 104 5.615 12.313 -7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.407 9.610 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.165 10.767 -7.180 1.00 0.00 H new ATOM 1549 N MET A 105 6.509 9.200 -5.335 1.00 0.00 N ATOM 1550 CA MET A 105 6.091 8.496 -4.133 1.00 0.00 C ATOM 1551 C MET A 105 5.580 9.492 -3.110 1.00 0.00 C ATOM 1552 O MET A 105 5.117 9.119 -2.031 1.00 0.00 O ATOM 1553 CB MET A 105 7.265 7.713 -3.546 1.00 0.00 C ATOM 1554 CG MET A 105 8.277 7.254 -4.585 1.00 0.00 C ATOM 1555 SD MET A 105 7.531 6.251 -5.883 1.00 0.00 S ATOM 1556 CE MET A 105 6.472 5.188 -4.909 1.00 0.00 C ATOM 0 H MET A 105 7.514 9.366 -5.397 1.00 0.00 H new ATOM 0 HA MET A 105 5.294 7.799 -4.391 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.772 8.335 -2.808 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.880 6.841 -3.017 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.753 8.126 -5.033 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.062 6.680 -4.093 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.377 4.220 -5.401 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.906 5.051 -3.919 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.487 5.645 -4.813 1.00 0.00 H new ATOM 1566 N ASN A 106 5.683 10.770 -3.458 1.00 0.00 N ATOM 1567 CA ASN A 106 5.254 11.844 -2.583 1.00 0.00 C ATOM 1568 C ASN A 106 3.734 11.973 -2.568 1.00 0.00 C ATOM 1569 O ASN A 106 3.148 12.347 -1.552 1.00 0.00 O ATOM 1570 CB ASN A 106 5.888 13.156 -3.041 1.00 0.00 C ATOM 1571 CG ASN A 106 7.227 12.943 -3.720 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.132 12.328 -3.156 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.361 13.453 -4.940 1.00 0.00 N ATOM 0 H ASN A 106 6.064 11.085 -4.350 1.00 0.00 H new ATOM 0 HA ASN A 106 5.578 11.613 -1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.211 13.663 -3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.020 13.813 -2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.240 13.341 -5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.585 13.956 -5.371 1.00 0.00 H new ATOM 1580 N ALA A 107 3.101 11.663 -3.698 1.00 0.00 N ATOM 1581 CA ALA A 107 1.648 11.746 -3.806 1.00 0.00 C ATOM 1582 C ALA A 107 0.980 11.020 -2.646 1.00 0.00 C ATOM 1583 O ALA A 107 0.079 11.552 -1.997 1.00 0.00 O ATOM 1584 CB ALA A 107 1.182 11.170 -5.134 1.00 0.00 C ATOM 0 H ALA A 107 3.571 11.353 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 107 1.360 12.796 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.096 11.239 -5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.631 11.733 -5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.484 10.125 -5.203 1.00 0.00 H new ATOM 1590 N TRP A 108 1.435 9.798 -2.392 1.00 0.00 N ATOM 1591 CA TRP A 108 0.890 8.989 -1.313 1.00 0.00 C ATOM 1592 C TRP A 108 1.464 9.442 0.028 1.00 0.00 C ATOM 1593 O TRP A 108 2.667 9.667 0.162 1.00 0.00 O ATOM 1594 CB TRP A 108 1.175 7.510 -1.575 1.00 0.00 C ATOM 1595 CG TRP A 108 0.567 7.026 -2.861 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.715 6.596 -3.050 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.210 6.935 -4.139 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.907 6.240 -4.364 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.260 6.438 -5.054 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.498 7.223 -4.599 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.559 6.226 -6.402 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.792 7.012 -5.932 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.827 6.520 -6.819 1.00 0.00 C ATOM 0 H TRP A 108 2.181 9.347 -2.921 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.191 9.121 -1.272 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.253 7.351 -1.604 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.787 6.916 -0.747 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.469 6.543 -2.279 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.777 5.886 -4.761 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.250 7.604 -3.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.183 5.845 -7.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.785 7.231 -6.297 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.090 6.369 -7.856 1.00 0.00 H new ATOM 1614 N VAL A 109 0.577 9.616 1.003 1.00 0.00 N ATOM 1615 CA VAL A 109 0.954 10.095 2.333 1.00 0.00 C ATOM 1616 C VAL A 109 1.639 9.043 3.197 1.00 0.00 C ATOM 1617 O VAL A 109 2.391 9.388 4.109 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.260 10.606 3.102 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.087 11.867 3.879 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.446 10.846 2.178 1.00 0.00 C ATOM 0 H VAL A 109 -0.420 9.430 0.896 1.00 0.00 H new ATOM 0 HA VAL A 109 1.665 10.899 2.142 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.551 9.833 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.793 12.215 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.886 11.649 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.417 12.642 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.293 11.209 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.177 11.588 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.718 9.913 1.685 1.00 0.00 H new ATOM 1630 N ALA A 110 1.393 7.772 2.925 1.00 0.00 N ATOM 1631 CA ALA A 110 2.013 6.708 3.708 1.00 0.00 C ATOM 1632 C ALA A 110 3.506 6.641 3.437 1.00 0.00 C ATOM 1633 O ALA A 110 4.284 6.191 4.279 1.00 0.00 O ATOM 1634 CB ALA A 110 1.355 5.372 3.411 1.00 0.00 C ATOM 0 H ALA A 110 0.777 7.451 2.178 1.00 0.00 H new ATOM 0 HA ALA A 110 1.868 6.934 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.831 4.592 4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.296 5.424 3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.465 5.140 2.352 1.00 0.00 H new ATOM 1640 N TRP A 111 3.901 7.110 2.263 1.00 0.00 N ATOM 1641 CA TRP A 111 5.305 7.124 1.891 1.00 0.00 C ATOM 1642 C TRP A 111 5.972 8.381 2.436 1.00 0.00 C ATOM 1643 O TRP A 111 7.124 8.344 2.863 1.00 0.00 O ATOM 1644 CB TRP A 111 5.470 7.032 0.369 1.00 0.00 C ATOM 1645 CG TRP A 111 6.900 7.024 -0.086 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.637 5.932 -0.447 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.765 8.158 -0.237 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.905 6.316 -0.811 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.009 7.677 -0.689 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.609 9.532 -0.033 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.087 8.522 -0.941 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.681 10.369 -0.284 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.906 9.861 -0.733 1.00 0.00 C ATOM 0 H TRP A 111 3.270 7.485 1.554 1.00 0.00 H new ATOM 0 HA TRP A 111 5.791 6.252 2.328 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.981 6.125 0.014 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.956 7.874 -0.094 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.275 4.914 -0.446 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.648 5.690 -1.121 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.668 9.933 0.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.033 8.133 -1.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.571 11.432 -0.131 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.724 10.541 -0.919 1.00 0.00 H new ATOM 1664 N ARG A 112 5.237 9.494 2.439 1.00 0.00 N ATOM 1665 CA ARG A 112 5.756 10.755 2.956 1.00 0.00 C ATOM 1666 C ARG A 112 5.384 10.944 4.424 1.00 0.00 C ATOM 1667 O ARG A 112 4.951 12.023 4.829 1.00 0.00 O ATOM 1668 CB ARG A 112 5.202 11.915 2.147 1.00 0.00 C ATOM 1669 CG ARG A 112 6.183 12.483 1.134 1.00 0.00 C ATOM 1670 CD ARG A 112 6.733 13.827 1.584 1.00 0.00 C ATOM 1671 NE ARG A 112 6.922 14.743 0.464 1.00 0.00 N ATOM 1672 CZ ARG A 112 5.944 15.467 -0.071 1.00 0.00 C ATOM 1673 NH1 ARG A 112 4.711 15.384 0.412 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.197 16.277 -1.091 1.00 0.00 N ATOM 0 H ARG A 112 4.280 9.545 2.088 1.00 0.00 H new ATOM 0 HA ARG A 112 6.842 10.729 2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.305 11.585 1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.899 12.709 2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.005 11.782 0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.687 12.596 0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.051 14.274 2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.684 13.677 2.094 1.00 0.00 H new ATOM 0 HE ARG A 112 7.858 14.833 0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.511 14.763 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.963 15.941 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.143 16.345 -1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.445 16.832 -1.500 1.00 0.00 H new ATOM 1688 N ASN A 113 5.558 9.900 5.215 1.00 0.00 N ATOM 1689 CA ASN A 113 5.238 9.971 6.637 1.00 0.00 C ATOM 1690 C ASN A 113 6.078 8.990 7.440 1.00 0.00 C ATOM 1691 O ASN A 113 6.888 9.386 8.278 1.00 0.00 O ATOM 1692 CB ASN A 113 3.753 9.688 6.863 1.00 0.00 C ATOM 1693 CG ASN A 113 3.016 10.885 7.430 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.187 12.013 6.965 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.189 10.647 8.442 1.00 0.00 N ATOM 0 H ASN A 113 5.916 8.997 4.904 1.00 0.00 H new ATOM 0 HA ASN A 113 5.467 10.980 6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.294 9.396 5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.646 8.843 7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.666 11.414 8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.077 9.697 8.797 1.00 0.00 H new ATOM 1702 N ARG A 114 5.869 7.709 7.182 1.00 0.00 N ATOM 1703 CA ARG A 114 6.592 6.661 7.883 1.00 0.00 C ATOM 1704 C ARG A 114 7.693 6.066 7.014 1.00 0.00 C ATOM 1705 O ARG A 114 8.424 5.176 7.448 1.00 0.00 O ATOM 1706 CB ARG A 114 5.622 5.566 8.311 1.00 0.00 C ATOM 1707 CG ARG A 114 5.036 5.777 9.698 1.00 0.00 C ATOM 1708 CD ARG A 114 4.880 4.462 10.444 1.00 0.00 C ATOM 1709 NE ARG A 114 5.120 4.612 11.877 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.258 4.273 12.474 1.00 0.00 C ATOM 1711 NH1 ARG A 114 7.257 3.766 11.765 1.00 0.00 N ATOM 1712 NH2 ARG A 114 6.398 4.441 13.782 1.00 0.00 N ATOM 0 H ARG A 114 5.202 7.369 6.489 1.00 0.00 H new ATOM 0 HA ARG A 114 7.061 7.103 8.762 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.809 5.510 7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.138 4.606 8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.681 6.446 10.268 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.065 6.266 9.613 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.875 4.072 10.284 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.575 3.729 10.035 1.00 0.00 H new ATOM 0 HE ARG A 114 4.372 4.999 12.452 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.153 3.635 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.129 3.507 12.226 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.632 4.831 14.331 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.272 4.180 14.239 1.00 0.00 H new ATOM 1726 N CYS A 115 7.799 6.549 5.782 1.00 0.00 N ATOM 1727 CA CYS A 115 8.804 6.045 4.858 1.00 0.00 C ATOM 1728 C CYS A 115 9.871 7.091 4.553 1.00 0.00 C ATOM 1729 O CYS A 115 11.064 6.789 4.563 1.00 0.00 O ATOM 1730 CB CYS A 115 8.146 5.593 3.558 1.00 0.00 C ATOM 1731 SG CYS A 115 9.327 5.018 2.302 1.00 0.00 S ATOM 0 H CYS A 115 7.204 7.285 5.402 1.00 0.00 H new ATOM 0 HA CYS A 115 9.291 5.197 5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.443 4.790 3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 115 7.567 6.420 3.148 1.00 0.00 H new ATOM 1736 N LYS A 116 9.437 8.315 4.269 1.00 0.00 N ATOM 1737 CA LYS A 116 10.359 9.398 3.947 1.00 0.00 C ATOM 1738 C LYS A 116 11.394 9.590 5.051 1.00 0.00 C ATOM 1739 O LYS A 116 11.138 10.270 6.044 1.00 0.00 O ATOM 1740 CB LYS A 116 9.589 10.700 3.724 1.00 0.00 C ATOM 1741 CG LYS A 116 10.385 11.760 2.982 1.00 0.00 C ATOM 1742 CD LYS A 116 10.028 13.160 3.457 1.00 0.00 C ATOM 1743 CE LYS A 116 11.271 13.999 3.704 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.144 14.832 4.932 1.00 0.00 N ATOM 0 H LYS A 116 8.453 8.581 4.255 1.00 0.00 H new ATOM 0 HA LYS A 116 10.884 9.129 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.680 10.483 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.281 11.100 4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.451 11.586 3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.193 11.678 1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.400 13.649 2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.443 13.096 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.138 13.345 3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.450 14.645 2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.012 15.389 5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.332 15.474 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.999 14.215 5.757 1.00 0.00 H new ATOM 1758 N GLY A 117 12.568 8.991 4.866 1.00 0.00 N ATOM 1759 CA GLY A 117 13.624 9.116 5.851 1.00 0.00 C ATOM 1760 C GLY A 117 14.204 7.779 6.273 1.00 0.00 C ATOM 1761 O GLY A 117 14.982 7.713 7.225 1.00 0.00 O ATOM 0 H GLY A 117 12.805 8.423 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.421 9.739 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.234 9.630 6.730 1.00 0.00 H new ATOM 1765 N THR A 118 13.832 6.711 5.572 1.00 0.00 N ATOM 1766 CA THR A 118 14.331 5.377 5.892 1.00 0.00 C ATOM 1767 C THR A 118 15.154 4.810 4.737 1.00 0.00 C ATOM 1768 O THR A 118 15.798 5.559 4.001 1.00 0.00 O ATOM 1769 CB THR A 118 13.175 4.411 6.216 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.288 4.314 5.095 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.402 4.882 7.440 1.00 0.00 C ATOM 0 H THR A 118 13.189 6.743 4.781 1.00 0.00 H new ATOM 0 HA THR A 118 14.967 5.474 6.772 1.00 0.00 H new ATOM 0 HB THR A 118 13.600 3.430 6.429 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.885 5.190 4.920 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.591 4.184 7.649 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.072 4.927 8.298 1.00 0.00 H new ATOM 0 HG23 THR A 118 11.988 5.872 7.250 1.00 0.00 H new ATOM 1779 N ASP A 119 15.135 3.487 4.581 1.00 0.00 N ATOM 1780 CA ASP A 119 15.886 2.837 3.514 1.00 0.00 C ATOM 1781 C ASP A 119 15.037 1.809 2.773 1.00 0.00 C ATOM 1782 O ASP A 119 14.784 0.714 3.278 1.00 0.00 O ATOM 1783 CB ASP A 119 17.125 2.177 4.067 1.00 0.00 C ATOM 1784 CG ASP A 119 18.261 2.139 3.065 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.068 1.568 1.970 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.344 2.678 3.374 1.00 0.00 O ATOM 0 H ASP A 119 14.609 2.849 5.178 1.00 0.00 H new ATOM 0 HA ASP A 119 16.177 3.610 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.450 2.712 4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.883 1.160 4.376 1.00 0.00 H new ATOM 1791 N VAL A 120 14.607 2.171 1.570 1.00 0.00 N ATOM 1792 CA VAL A 120 13.792 1.295 0.742 1.00 0.00 C ATOM 1793 C VAL A 120 14.622 0.141 0.197 1.00 0.00 C ATOM 1794 O VAL A 120 14.143 -0.989 0.100 1.00 0.00 O ATOM 1795 CB VAL A 120 13.159 2.064 -0.434 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.179 3.108 0.077 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.235 2.711 -1.294 1.00 0.00 C ATOM 0 H VAL A 120 14.813 3.075 1.144 1.00 0.00 H new ATOM 0 HA VAL A 120 12.996 0.902 1.375 1.00 0.00 H new ATOM 0 HB VAL A 120 12.611 1.354 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.742 3.641 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.388 2.618 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.703 3.815 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.767 3.249 -2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.814 3.408 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.895 1.940 -1.692 1.00 0.00 H new ATOM 1807 N GLN A 121 15.874 0.430 -0.143 1.00 0.00 N ATOM 1808 CA GLN A 121 16.774 -0.591 -0.659 1.00 0.00 C ATOM 1809 C GLN A 121 16.938 -1.696 0.374 1.00 0.00 C ATOM 1810 O GLN A 121 17.280 -2.832 0.043 1.00 0.00 O ATOM 1811 CB GLN A 121 18.137 0.018 -1.000 1.00 0.00 C ATOM 1812 CG GLN A 121 18.665 -0.401 -2.363 1.00 0.00 C ATOM 1813 CD GLN A 121 18.342 0.607 -3.448 1.00 0.00 C ATOM 1814 OE1 GLN A 121 17.619 0.305 -4.397 1.00 0.00 O ATOM 1815 NE2 GLN A 121 18.878 1.814 -3.313 1.00 0.00 N ATOM 0 H GLN A 121 16.286 1.360 -0.070 1.00 0.00 H new ATOM 0 HA GLN A 121 16.347 -1.010 -1.570 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.059 1.105 -0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.857 -0.272 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.745 -0.533 -2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.239 -1.368 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.472 2.021 -2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 121 18.696 2.534 -4.012 1.00 0.00 H new ATOM 1824 N ALA A 122 16.675 -1.347 1.629 1.00 0.00 N ATOM 1825 CA ALA A 122 16.771 -2.293 2.727 1.00 0.00 C ATOM 1826 C ALA A 122 15.438 -2.997 2.947 1.00 0.00 C ATOM 1827 O ALA A 122 15.387 -4.080 3.526 1.00 0.00 O ATOM 1828 CB ALA A 122 17.217 -1.586 3.998 1.00 0.00 C ATOM 0 H ALA A 122 16.392 -0.408 1.909 1.00 0.00 H new ATOM 0 HA ALA A 122 17.516 -3.045 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.284 -2.308 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.193 -1.129 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.493 -0.813 4.258 1.00 0.00 H new ATOM 1834 N TRP A 123 14.356 -2.376 2.481 1.00 0.00 N ATOM 1835 CA TRP A 123 13.024 -2.959 2.632 1.00 0.00 C ATOM 1836 C TRP A 123 12.927 -4.308 1.924 1.00 0.00 C ATOM 1837 O TRP A 123 12.000 -5.081 2.169 1.00 0.00 O ATOM 1838 CB TRP A 123 11.956 -2.007 2.091 1.00 0.00 C ATOM 1839 CG TRP A 123 11.420 -1.067 3.127 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.341 0.292 3.038 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.889 -1.414 4.412 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.796 0.807 4.188 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.512 -0.226 5.043 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.696 -2.616 5.091 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 9.954 -0.212 6.314 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.143 -2.600 6.351 1.00 0.00 C ATOM 1847 CH2 TRP A 123 9.777 -1.403 6.953 1.00 0.00 C ATOM 0 H TRP A 123 14.374 -1.477 2.000 1.00 0.00 H new ATOM 0 HA TRP A 123 12.851 -3.118 3.696 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.378 -1.429 1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.133 -2.591 1.680 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.660 0.877 2.188 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.630 1.796 4.375 1.00 0.00 H new ATOM 0 HE3 TRP A 123 10.978 -3.552 4.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.668 0.717 6.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 9.992 -3.530 6.879 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.345 -1.416 7.943 1.00 0.00 H new ATOM 1858 N ILE A 124 13.888 -4.589 1.047 1.00 0.00 N ATOM 1859 CA ILE A 124 13.905 -5.848 0.308 1.00 0.00 C ATOM 1860 C ILE A 124 15.264 -6.536 0.418 1.00 0.00 C ATOM 1861 O ILE A 124 15.676 -7.264 -0.484 1.00 0.00 O ATOM 1862 CB ILE A 124 13.568 -5.635 -1.179 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.379 -4.470 -1.749 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.077 -5.388 -1.356 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.304 -4.873 -2.877 1.00 0.00 C ATOM 0 H ILE A 124 14.664 -3.963 0.831 1.00 0.00 H new ATOM 0 HA ILE A 124 13.142 -6.485 0.757 1.00 0.00 H new ATOM 0 HB ILE A 124 13.833 -6.539 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.694 -3.702 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 124 14.968 -4.022 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.856 -5.239 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.519 -6.248 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.786 -4.499 -0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.847 -3.997 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.013 -5.619 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.719 -5.294 -3.695 1.00 0.00 H new ATOM 1877 N ARG A 125 15.956 -6.291 1.528 1.00 0.00 N ATOM 1878 CA ARG A 125 17.272 -6.882 1.755 1.00 0.00 C ATOM 1879 C ARG A 125 17.177 -8.397 1.934 1.00 0.00 C ATOM 1880 O ARG A 125 17.158 -8.902 3.057 1.00 0.00 O ATOM 1881 CB ARG A 125 17.941 -6.246 2.979 1.00 0.00 C ATOM 1882 CG ARG A 125 17.104 -6.318 4.247 1.00 0.00 C ATOM 1883 CD ARG A 125 17.902 -6.886 5.409 1.00 0.00 C ATOM 1884 NE ARG A 125 17.290 -6.575 6.698 1.00 0.00 N ATOM 1885 CZ ARG A 125 17.430 -5.408 7.321 1.00 0.00 C ATOM 1886 NH1 ARG A 125 18.161 -4.445 6.775 1.00 0.00 N ATOM 1887 NH2 ARG A 125 16.841 -5.205 8.491 1.00 0.00 N ATOM 0 H ARG A 125 15.628 -5.688 2.283 1.00 0.00 H new ATOM 0 HA ARG A 125 17.883 -6.683 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.896 -6.741 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.160 -5.201 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 125 16.744 -5.322 4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 125 16.225 -6.938 4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.984 -7.967 5.298 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.915 -6.485 5.383 1.00 0.00 H new ATOM 0 HE ARG A 125 16.722 -7.294 7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.617 -4.599 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 125 18.267 -3.551 7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.280 -5.944 8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 125 16.949 -4.310 8.968 1.00 0.00 H new ATOM 1901 N GLY A 126 17.125 -9.121 0.818 1.00 0.00 N ATOM 1902 CA GLY A 126 17.042 -10.568 0.880 1.00 0.00 C ATOM 1903 C GLY A 126 15.901 -11.134 0.058 1.00 0.00 C ATOM 1904 O GLY A 126 15.679 -12.346 0.050 1.00 0.00 O ATOM 0 H GLY A 126 17.139 -8.731 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.981 -10.995 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.921 -10.875 1.919 1.00 0.00 H new ATOM 1908 N CYS A 127 15.172 -10.264 -0.636 1.00 0.00 N ATOM 1909 CA CYS A 127 14.050 -10.694 -1.460 1.00 0.00 C ATOM 1910 C CYS A 127 14.514 -11.557 -2.629 1.00 0.00 C ATOM 1911 O CYS A 127 15.693 -11.895 -2.735 1.00 0.00 O ATOM 1912 CB CYS A 127 13.286 -9.489 -1.970 1.00 0.00 C ATOM 1913 SG CYS A 127 11.918 -8.958 -0.891 1.00 0.00 S ATOM 0 H CYS A 127 15.339 -9.258 -0.643 1.00 0.00 H new ATOM 0 HA CYS A 127 13.391 -11.300 -0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.981 -8.658 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.886 -9.718 -2.958 1.00 0.00 H new ATOM 1918 N ARG A 128 13.578 -11.907 -3.504 1.00 0.00 N ATOM 1919 CA ARG A 128 13.888 -12.731 -4.668 1.00 0.00 C ATOM 1920 C ARG A 128 13.117 -12.253 -5.894 1.00 0.00 C ATOM 1921 O ARG A 128 12.018 -12.733 -6.175 1.00 0.00 O ATOM 1922 CB ARG A 128 13.559 -14.197 -4.383 1.00 0.00 C ATOM 1923 CG ARG A 128 14.779 -15.104 -4.375 1.00 0.00 C ATOM 1924 CD ARG A 128 14.804 -16.015 -5.591 1.00 0.00 C ATOM 1925 NE ARG A 128 14.561 -17.410 -5.234 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.356 -17.974 -5.239 1.00 0.00 C ATOM 1927 NH1 ARG A 128 12.290 -17.265 -5.580 1.00 0.00 N ATOM 1928 NH2 ARG A 128 13.219 -19.249 -4.901 1.00 0.00 N ATOM 0 H ARG A 128 12.598 -11.633 -3.430 1.00 0.00 H new ATOM 0 HA ARG A 128 14.954 -12.639 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.058 -14.267 -3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.855 -14.555 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.684 -14.497 -4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.779 -15.707 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.049 -15.687 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 128 15.771 -15.931 -6.087 1.00 0.00 H new ATOM 0 HE ARG A 128 15.360 -17.984 -4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.392 -16.284 -5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.368 -17.700 -5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 128 14.038 -19.797 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.295 -19.681 -4.905 1.00 0.00 H new ATOM 1942 N LEU A 129 13.699 -11.304 -6.621 1.00 0.00 N ATOM 1943 CA LEU A 129 13.068 -10.761 -7.818 1.00 0.00 C ATOM 1944 C LEU A 129 14.063 -10.683 -8.972 1.00 0.00 C ATOM 1945 O LEU A 129 15.272 -10.531 -8.699 1.00 0.00 O ATOM 1946 CB LEU A 129 12.492 -9.372 -7.532 1.00 0.00 C ATOM 1947 CG LEU A 129 13.453 -8.403 -6.842 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.999 -7.393 -7.840 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.756 -7.694 -5.690 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.624 -10.775 -10.137 1.00 0.00 O ATOM 0 H LEU A 129 14.607 -10.895 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 129 12.258 -11.431 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.167 -8.929 -8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.604 -9.484 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 129 14.290 -8.974 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.681 -6.711 -7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.533 -7.917 -8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.174 -6.826 -8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.454 -7.008 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.901 -7.135 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.413 -8.431 -4.963 1.00 0.00 H new TER 1962 LEU A 129