USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Single : A 1 LYS N :NH3+ -159:sc= -0.0612 (180deg=-0.494) USER MOD Single : A 1 LYS NZ :NH3+ -160:sc= -0.0334 (180deg=-0.436) USER MOD Single : A 2 ASN : amide:sc= -4.68! C(o=-4.7!,f=-8.3!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 73:sc= 0.0281 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -160:sc= -0.747 USER MOD Single : A 19 SER OG : rot -69:sc= 0.28 USER MOD Single : A 20 SER OG : rot 180:sc=-0.00425 USER MOD Single : B 1 LYS N :NH3+ -159:sc= -0.0299 (180deg=-0.456) USER MOD Single : B 1 LYS NZ :NH3+ -161:sc= -0.0527 (180deg=-0.439) USER MOD Single : B 2 ASN : amide:sc= -4.61! C(o=-4.6!,f=-8.2!) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 CYS SG : rot 74:sc= 0.0017 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot -150:sc= -1.13 USER MOD Single : B 19 SER OG : rot -70:sc= 0.272 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS N :NH3+ -159:sc= -0.0359 (180deg=-0.458) USER MOD Single : C 1 LYS NZ :NH3+ -162:sc= -0.0142 (180deg=-0.398) USER MOD Single : C 2 ASN : amide:sc= -4.81! C(o=-4.8!,f=-7.8!) USER MOD Single : C 9 THR OG1 : rot 180:sc= 0 USER MOD Single : C 11 CYS SG : rot 73:sc= 0.0181 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 SER OG : rot -160:sc= -0.656 USER MOD Single : C 19 SER OG : rot -72:sc= 0.241 USER MOD Single : C 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.380 5.833 15.501 1.00 0.00 N ATOM 2 CA LYS A 1 -8.354 6.844 15.107 1.00 0.00 C ATOM 3 C LYS A 1 -7.684 7.934 14.285 1.00 0.00 C ATOM 4 O LYS A 1 -8.275 8.982 14.020 1.00 0.00 O ATOM 5 CB LYS A 1 -9.001 7.461 16.350 1.00 0.00 C ATOM 6 CG LYS A 1 -9.846 6.405 17.064 1.00 0.00 C ATOM 7 CD LYS A 1 -10.477 7.016 18.317 1.00 0.00 C ATOM 8 CE LYS A 1 -11.312 5.956 19.038 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.469 5.572 18.180 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.874 4.948 15.737 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.123 6.366 14.500 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.232 7.842 17.022 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.624 8.309 16.066 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.624 6.034 16.396 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.226 5.551 17.336 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.700 7.395 18.981 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.104 7.864 18.044 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.700 5.081 19.256 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.666 6.343 19.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.205 5.131 18.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.856 6.420 17.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.154 4.897 17.455 1.00 0.00 H new ATOM 23 N ASN A 2 -6.438 7.688 13.900 1.00 0.00 N ATOM 24 CA ASN A 2 -5.687 8.663 13.126 1.00 0.00 C ATOM 25 C ASN A 2 -6.299 8.841 11.734 1.00 0.00 C ATOM 26 O ASN A 2 -6.885 7.910 11.181 1.00 0.00 O ATOM 27 CB ASN A 2 -4.225 8.213 12.996 1.00 0.00 C ATOM 28 CG ASN A 2 -4.157 6.870 12.291 1.00 0.00 C ATOM 29 OD1 ASN A 2 -5.159 6.164 12.204 1.00 0.00 O ATOM 30 ND2 ASN A 2 -3.029 6.475 11.775 1.00 0.00 N ATOM 0 H ASN A 2 -5.931 6.828 14.110 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.728 9.620 13.647 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.655 8.956 12.437 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.769 8.138 13.983 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.974 5.576 11.296 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.200 7.064 11.850 1.00 0.00 H new ATOM 37 N PRO A 3 -6.167 10.011 11.157 1.00 0.00 N ATOM 38 CA PRO A 3 -6.712 10.305 9.796 1.00 0.00 C ATOM 39 C PRO A 3 -6.014 9.486 8.710 1.00 0.00 C ATOM 40 O PRO A 3 -6.538 9.319 7.609 1.00 0.00 O ATOM 41 CB PRO A 3 -6.457 11.814 9.619 1.00 0.00 C ATOM 42 CG PRO A 3 -5.331 12.128 10.551 1.00 0.00 C ATOM 43 CD PRO A 3 -5.494 11.191 11.734 1.00 0.00 C ATOM 0 HA PRO A 3 -7.766 10.041 9.705 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.194 12.052 8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.346 12.396 9.864 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.368 11.977 10.064 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.367 13.170 10.870 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.531 10.928 12.172 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.091 11.645 12.525 1.00 0.00 H new ATOM 51 N GLU A 4 -4.831 8.981 9.028 1.00 0.00 N ATOM 52 CA GLU A 4 -4.067 8.185 8.076 1.00 0.00 C ATOM 53 C GLU A 4 -4.814 6.901 7.736 1.00 0.00 C ATOM 54 O GLU A 4 -4.525 6.253 6.732 1.00 0.00 O ATOM 55 CB GLU A 4 -2.693 7.848 8.650 1.00 0.00 C ATOM 56 CG GLU A 4 -1.854 9.122 8.751 1.00 0.00 C ATOM 57 CD GLU A 4 -0.516 8.812 9.418 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.310 9.707 9.488 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.340 7.685 9.852 1.00 0.00 O ATOM 0 H GLU A 4 -4.380 9.107 9.934 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.938 8.769 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.801 7.392 9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.191 7.119 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.687 9.538 7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.391 9.877 9.326 1.00 0.00 H new ATOM 66 N ALA A 5 -5.776 6.541 8.581 1.00 0.00 N ATOM 67 CA ALA A 5 -6.561 5.331 8.369 1.00 0.00 C ATOM 68 C ALA A 5 -7.274 5.393 7.020 1.00 0.00 C ATOM 69 O ALA A 5 -7.560 4.364 6.406 1.00 0.00 O ATOM 70 CB ALA A 5 -7.591 5.170 9.490 1.00 0.00 C ATOM 0 H ALA A 5 -6.029 7.069 9.416 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.888 4.474 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.172 4.263 9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.077 5.100 10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.258 6.032 9.498 1.00 0.00 H new ATOM 76 N GLU A 6 -7.552 6.608 6.560 1.00 0.00 N ATOM 77 CA GLU A 6 -8.224 6.795 5.280 1.00 0.00 C ATOM 78 C GLU A 6 -7.377 6.220 4.149 1.00 0.00 C ATOM 79 O GLU A 6 -7.903 5.658 3.189 1.00 0.00 O ATOM 80 CB GLU A 6 -8.472 8.284 5.029 1.00 0.00 C ATOM 81 CG GLU A 6 -9.531 8.796 6.006 1.00 0.00 C ATOM 82 CD GLU A 6 -9.734 10.295 5.817 1.00 0.00 C ATOM 83 OE1 GLU A 6 -9.012 10.875 5.024 1.00 0.00 O ATOM 84 OE2 GLU A 6 -10.611 10.841 6.466 1.00 0.00 O ATOM 0 H GLU A 6 -7.324 7.473 7.051 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.180 6.272 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.545 8.844 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.803 8.441 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.472 8.270 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.223 8.589 7.031 1.00 0.00 H new ATOM 91 N GLU A 7 -6.063 6.363 4.267 1.00 0.00 N ATOM 92 CA GLU A 7 -5.157 5.849 3.247 1.00 0.00 C ATOM 93 C GLU A 7 -5.282 4.333 3.129 1.00 0.00 C ATOM 94 O GLU A 7 -5.270 3.780 2.030 1.00 0.00 O ATOM 95 CB GLU A 7 -3.710 6.227 3.591 1.00 0.00 C ATOM 96 CG GLU A 7 -2.758 5.631 2.545 1.00 0.00 C ATOM 97 CD GLU A 7 -3.116 6.156 1.161 1.00 0.00 C ATOM 98 OE1 GLU A 7 -2.870 5.446 0.201 1.00 0.00 O ATOM 99 OE2 GLU A 7 -3.631 7.260 1.081 1.00 0.00 O ATOM 0 H GLU A 7 -5.604 6.826 5.051 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.428 6.295 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.604 7.311 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.453 5.857 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.728 5.892 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.823 4.543 2.559 1.00 0.00 H new ATOM 106 N ILE A 8 -5.413 3.669 4.263 1.00 0.00 N ATOM 107 CA ILE A 8 -5.550 2.217 4.282 1.00 0.00 C ATOM 108 C ILE A 8 -6.818 1.808 3.537 1.00 0.00 C ATOM 109 O ILE A 8 -6.825 0.846 2.774 1.00 0.00 O ATOM 110 CB ILE A 8 -5.597 1.708 5.729 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.191 1.781 6.341 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.095 0.257 5.758 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.692 3.226 6.353 1.00 0.00 C ATOM 0 H ILE A 8 -5.428 4.108 5.184 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.688 1.772 3.785 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.281 2.331 6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.208 1.387 7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.505 1.157 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.125 -0.097 6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.095 0.207 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.419 -0.371 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.694 3.263 6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.656 3.607 5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.370 3.840 6.946 1.00 0.00 H new ATOM 125 N THR A 9 -7.888 2.547 3.764 1.00 0.00 N ATOM 126 CA THR A 9 -9.154 2.254 3.106 1.00 0.00 C ATOM 127 C THR A 9 -8.983 2.354 1.590 1.00 0.00 C ATOM 128 O THR A 9 -9.506 1.530 0.840 1.00 0.00 O ATOM 129 CB THR A 9 -10.229 3.237 3.572 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.415 3.101 4.974 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.544 2.939 2.851 1.00 0.00 C ATOM 0 H THR A 9 -7.910 3.349 4.394 1.00 0.00 H new ATOM 0 HA THR A 9 -9.463 1.242 3.368 1.00 0.00 H new ATOM 0 HB THR A 9 -9.915 4.255 3.342 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.102 3.731 5.275 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.309 3.640 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.401 3.042 1.775 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.861 1.921 3.079 1.00 0.00 H new ATOM 139 N ARG A 10 -8.245 3.369 1.149 1.00 0.00 N ATOM 140 CA ARG A 10 -8.004 3.566 -0.275 1.00 0.00 C ATOM 141 C ARG A 10 -7.254 2.367 -0.853 1.00 0.00 C ATOM 142 O ARG A 10 -7.559 1.901 -1.951 1.00 0.00 O ATOM 143 CB ARG A 10 -7.185 4.839 -0.498 1.00 0.00 C ATOM 144 CG ARG A 10 -7.028 5.088 -1.999 1.00 0.00 C ATOM 145 CD ARG A 10 -6.258 6.388 -2.230 1.00 0.00 C ATOM 146 NE ARG A 10 -4.869 6.242 -1.802 1.00 0.00 N ATOM 147 CZ ARG A 10 -4.007 7.246 -1.923 1.00 0.00 C ATOM 148 NH1 ARG A 10 -2.769 7.090 -1.545 1.00 0.00 N ATOM 149 NH2 ARG A 10 -4.395 8.384 -2.427 1.00 0.00 N ATOM 0 H ARG A 10 -7.806 4.063 1.754 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.965 3.664 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.679 5.689 -0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.205 4.740 -0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.500 4.254 -2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.008 5.146 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.293 6.656 -3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.731 7.201 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.556 5.356 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.463 6.198 -1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.107 7.860 -1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.362 8.505 -2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.732 9.154 -2.519 1.00 0.00 H new ATOM 163 N CYS A 11 -6.270 1.874 -0.108 1.00 0.00 N ATOM 164 CA CYS A 11 -5.487 0.730 -0.557 1.00 0.00 C ATOM 165 C CYS A 11 -6.402 -0.441 -0.883 1.00 0.00 C ATOM 166 O CYS A 11 -6.246 -1.095 -1.911 1.00 0.00 O ATOM 167 CB CYS A 11 -4.501 0.311 0.529 1.00 0.00 C ATOM 168 SG CYS A 11 -3.119 1.472 0.578 1.00 0.00 S ATOM 0 H CYS A 11 -5.998 2.246 0.802 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.939 1.019 -1.454 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.001 0.285 1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.135 -0.697 0.332 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.514 2.595 1.102 1.00 0.00 H new ATOM 173 N LYS A 12 -7.361 -0.697 -0.005 1.00 0.00 N ATOM 174 CA LYS A 12 -8.295 -1.795 -0.216 1.00 0.00 C ATOM 175 C LYS A 12 -9.052 -1.604 -1.525 1.00 0.00 C ATOM 176 O LYS A 12 -9.207 -2.543 -2.307 1.00 0.00 O ATOM 177 CB LYS A 12 -9.285 -1.867 0.951 1.00 0.00 C ATOM 178 CG LYS A 12 -10.247 -3.039 0.741 1.00 0.00 C ATOM 179 CD LYS A 12 -11.198 -3.141 1.933 1.00 0.00 C ATOM 180 CE LYS A 12 -12.152 -4.317 1.721 1.00 0.00 C ATOM 181 NZ LYS A 12 -13.067 -4.431 2.892 1.00 0.00 N ATOM 0 H LYS A 12 -7.513 -0.166 0.852 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.733 -2.727 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.746 -1.990 1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.844 -0.934 1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.814 -2.897 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.687 -3.967 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.631 -3.279 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.763 -2.215 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.729 -4.171 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.586 -5.240 1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.716 -5.231 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.508 -4.589 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.616 -3.553 2.991 1.00 0.00 H new ATOM 195 N LYS A 13 -9.511 -0.385 -1.764 1.00 0.00 N ATOM 196 CA LYS A 13 -10.242 -0.079 -2.987 1.00 0.00 C ATOM 197 C LYS A 13 -9.345 -0.289 -4.200 1.00 0.00 C ATOM 198 O LYS A 13 -9.786 -0.791 -5.232 1.00 0.00 O ATOM 199 CB LYS A 13 -10.750 1.357 -2.945 1.00 0.00 C ATOM 200 CG LYS A 13 -11.630 1.620 -4.170 1.00 0.00 C ATOM 201 CD LYS A 13 -12.361 2.958 -4.010 1.00 0.00 C ATOM 202 CE LYS A 13 -11.370 4.116 -4.142 1.00 0.00 C ATOM 203 NZ LYS A 13 -12.116 5.400 -4.200 1.00 0.00 N ATOM 0 H LYS A 13 -9.392 0.406 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.097 -0.750 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.319 1.527 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.910 2.052 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.018 1.636 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.353 0.813 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.141 3.048 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.853 2.999 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.683 4.120 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.767 3.992 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.444 6.188 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.754 5.394 -5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.673 5.517 -3.330 1.00 0.00 H new ATOM 217 N LEU A 14 -8.081 0.094 -4.067 1.00 0.00 N ATOM 218 CA LEU A 14 -7.132 -0.069 -5.161 1.00 0.00 C ATOM 219 C LEU A 14 -6.946 -1.542 -5.510 1.00 0.00 C ATOM 220 O LEU A 14 -6.890 -1.913 -6.688 1.00 0.00 O ATOM 221 CB LEU A 14 -5.780 0.533 -4.756 1.00 0.00 C ATOM 222 CG LEU A 14 -5.865 2.069 -4.752 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.645 2.660 -4.022 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.888 2.592 -6.205 1.00 0.00 C ATOM 0 H LEU A 14 -7.693 0.515 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.525 0.446 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.495 0.174 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.005 0.206 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.777 2.371 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.712 3.748 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.626 2.299 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.732 2.352 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.948 3.680 -6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.978 2.282 -6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.754 2.184 -6.725 1.00 0.00 H new ATOM 236 N LEU A 15 -6.851 -2.379 -4.489 1.00 0.00 N ATOM 237 CA LEU A 15 -6.656 -3.802 -4.716 1.00 0.00 C ATOM 238 C LEU A 15 -7.850 -4.389 -5.457 1.00 0.00 C ATOM 239 O LEU A 15 -7.686 -5.172 -6.391 1.00 0.00 O ATOM 240 CB LEU A 15 -6.491 -4.509 -3.368 1.00 0.00 C ATOM 241 CG LEU A 15 -5.175 -4.064 -2.710 1.00 0.00 C ATOM 242 CD1 LEU A 15 -5.117 -4.596 -1.275 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.964 -4.583 -3.507 1.00 0.00 C ATOM 0 H LEU A 15 -6.905 -2.103 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.762 -3.947 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.333 -4.273 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.491 -5.590 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.139 -2.975 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.184 -4.281 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.959 -4.201 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.166 -5.685 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.043 -4.256 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.990 -5.672 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.000 -4.188 -4.522 1.00 0.00 H new ATOM 255 N ASP A 16 -9.048 -3.988 -5.049 1.00 0.00 N ATOM 256 CA ASP A 16 -10.262 -4.465 -5.701 1.00 0.00 C ATOM 257 C ASP A 16 -10.341 -3.950 -7.139 1.00 0.00 C ATOM 258 O ASP A 16 -10.743 -4.668 -8.056 1.00 0.00 O ATOM 259 CB ASP A 16 -11.491 -4.008 -4.914 1.00 0.00 C ATOM 260 CG ASP A 16 -11.585 -4.781 -3.601 1.00 0.00 C ATOM 261 OD1 ASP A 16 -12.346 -4.362 -2.744 1.00 0.00 O ATOM 262 OD2 ASP A 16 -10.898 -5.781 -3.473 1.00 0.00 O ATOM 0 H ASP A 16 -9.205 -3.340 -4.277 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.236 -5.554 -5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.428 -2.939 -4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.392 -4.168 -5.506 1.00 0.00 H new ATOM 267 N ASP A 17 -9.947 -2.692 -7.320 1.00 0.00 N ATOM 268 CA ASP A 17 -9.978 -2.068 -8.635 1.00 0.00 C ATOM 269 C ASP A 17 -8.947 -2.710 -9.552 1.00 0.00 C ATOM 270 O ASP A 17 -8.942 -2.475 -10.761 1.00 0.00 O ATOM 271 CB ASP A 17 -9.711 -0.568 -8.520 1.00 0.00 C ATOM 272 CG ASP A 17 -10.904 0.125 -7.868 1.00 0.00 C ATOM 273 OD1 ASP A 17 -10.747 1.264 -7.456 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.955 -0.488 -7.794 1.00 0.00 O ATOM 0 H ASP A 17 -9.604 -2.088 -6.573 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.970 -2.217 -9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.812 -0.394 -7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.530 -0.146 -9.508 1.00 0.00 H new ATOM 279 N SER A 18 -8.072 -3.517 -8.970 1.00 0.00 N ATOM 280 CA SER A 18 -7.031 -4.182 -9.743 1.00 0.00 C ATOM 281 C SER A 18 -7.649 -4.995 -10.871 1.00 0.00 C ATOM 282 O SER A 18 -7.042 -5.172 -11.928 1.00 0.00 O ATOM 283 CB SER A 18 -6.214 -5.107 -8.837 1.00 0.00 C ATOM 284 OG SER A 18 -5.010 -5.475 -9.497 1.00 0.00 O ATOM 0 H SER A 18 -8.061 -3.727 -7.972 1.00 0.00 H new ATOM 0 HA SER A 18 -6.376 -3.421 -10.168 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.987 -4.605 -7.897 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.793 -5.997 -8.591 1.00 0.00 H new ATOM 0 HG SER A 18 -4.646 -6.287 -9.086 1.00 0.00 H new ATOM 290 N SER A 19 -8.854 -5.479 -10.640 1.00 0.00 N ATOM 291 CA SER A 19 -9.554 -6.275 -11.654 1.00 0.00 C ATOM 292 C SER A 19 -10.207 -5.373 -12.697 1.00 0.00 C ATOM 293 O SER A 19 -10.652 -5.838 -13.746 1.00 0.00 O ATOM 294 CB SER A 19 -10.624 -7.147 -10.997 1.00 0.00 C ATOM 295 OG SER A 19 -11.662 -6.315 -10.497 1.00 0.00 O ATOM 0 H SER A 19 -9.372 -5.342 -9.772 1.00 0.00 H new ATOM 0 HA SER A 19 -8.819 -6.911 -12.148 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.027 -7.856 -11.720 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.187 -7.731 -10.187 1.00 0.00 H new ATOM 0 HG SER A 19 -11.328 -5.799 -9.734 1.00 0.00 H new ATOM 301 N SER A 20 -10.249 -4.089 -12.401 1.00 0.00 N ATOM 302 CA SER A 20 -10.840 -3.114 -13.317 1.00 0.00 C ATOM 303 C SER A 20 -9.863 -2.759 -14.431 1.00 0.00 C ATOM 304 O SER A 20 -8.646 -2.789 -14.237 1.00 0.00 O ATOM 305 CB SER A 20 -11.234 -1.846 -12.559 1.00 0.00 C ATOM 306 OG SER A 20 -11.983 -2.202 -11.405 1.00 0.00 O ATOM 0 H SER A 20 -9.883 -3.690 -11.536 1.00 0.00 H new ATOM 0 HA SER A 20 -11.730 -3.561 -13.759 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.342 -1.289 -12.270 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.824 -1.193 -13.202 1.00 0.00 H new ATOM 0 HG SER A 20 -12.236 -1.391 -10.916 1.00 0.00 H new ATOM 313 N LYS B 1 -10.400 -2.416 -15.596 1.00 0.00 N ATOM 314 CA LYS B 1 -9.567 -2.054 -16.735 1.00 0.00 C ATOM 315 C LYS B 1 -9.027 -0.642 -16.570 1.00 0.00 C ATOM 316 O LYS B 1 -8.471 -0.064 -17.507 1.00 0.00 O ATOM 317 CB LYS B 1 -10.376 -2.150 -18.031 1.00 0.00 C ATOM 318 CG LYS B 1 -10.741 -3.611 -18.298 1.00 0.00 C ATOM 319 CD LYS B 1 -11.560 -3.705 -19.587 1.00 0.00 C ATOM 320 CE LYS B 1 -11.944 -5.164 -19.843 1.00 0.00 C ATOM 321 NZ LYS B 1 -10.712 -5.960 -20.109 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.468 -3.452 -15.531 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.728 -2.749 -16.784 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.280 -1.547 -17.953 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.797 -1.751 -18.864 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.836 -4.213 -18.385 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.312 -4.013 -17.461 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -12.457 -3.091 -19.506 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -10.983 -3.317 -20.426 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -12.473 -5.569 -18.980 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.623 -5.229 -20.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -10.968 -6.846 -20.589 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -10.068 -5.412 -20.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -10.239 -6.178 -19.209 1.00 0.00 H new ATOM 335 N ASN B 2 -9.211 -0.085 -15.381 1.00 0.00 N ATOM 336 CA ASN B 2 -8.754 1.270 -15.113 1.00 0.00 C ATOM 337 C ASN B 2 -7.224 1.342 -15.118 1.00 0.00 C ATOM 338 O ASN B 2 -6.546 0.371 -14.779 1.00 0.00 O ATOM 339 CB ASN B 2 -9.290 1.741 -13.752 1.00 0.00 C ATOM 340 CG ASN B 2 -8.791 0.821 -12.652 1.00 0.00 C ATOM 341 OD1 ASN B 2 -8.333 -0.285 -12.929 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.850 1.217 -11.412 1.00 0.00 N ATOM 0 H ASN B 2 -9.669 -0.545 -14.594 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.133 1.922 -15.900 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -8.965 2.763 -13.558 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.380 1.750 -13.764 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -8.515 0.608 -10.666 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -9.231 2.136 -11.188 1.00 0.00 H new ATOM 349 N PRO B 3 -6.671 2.474 -15.484 1.00 0.00 N ATOM 350 CA PRO B 3 -5.190 2.673 -15.520 1.00 0.00 C ATOM 351 C PRO B 3 -4.570 2.610 -14.125 1.00 0.00 C ATOM 352 O PRO B 3 -3.367 2.399 -13.976 1.00 0.00 O ATOM 353 CB PRO B 3 -5.024 4.067 -16.155 1.00 0.00 C ATOM 354 CG PRO B 3 -6.322 4.767 -15.906 1.00 0.00 C ATOM 355 CD PRO B 3 -7.391 3.688 -15.917 1.00 0.00 C ATOM 0 HA PRO B 3 -4.679 1.891 -16.082 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.192 4.608 -15.705 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.815 3.992 -17.222 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.306 5.290 -14.950 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.515 5.515 -16.675 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.210 3.930 -15.240 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -7.824 3.564 -16.910 1.00 0.00 H new ATOM 363 N GLU B 4 -5.402 2.793 -13.108 1.00 0.00 N ATOM 364 CA GLU B 4 -4.929 2.755 -11.729 1.00 0.00 C ATOM 365 C GLU B 4 -4.405 1.367 -11.382 1.00 0.00 C ATOM 366 O GLU B 4 -3.667 1.197 -10.414 1.00 0.00 O ATOM 367 CB GLU B 4 -6.057 3.136 -10.773 1.00 0.00 C ATOM 368 CG GLU B 4 -6.400 4.616 -10.949 1.00 0.00 C ATOM 369 CD GLU B 4 -7.590 4.982 -10.068 1.00 0.00 C ATOM 370 OE1 GLU B 4 -7.920 6.155 -10.010 1.00 0.00 O ATOM 371 OE2 GLU B 4 -8.155 4.085 -9.468 1.00 0.00 O ATOM 0 H GLU B 4 -6.402 2.968 -13.210 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.116 3.473 -11.625 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.936 2.523 -10.969 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.756 2.942 -9.744 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.539 5.231 -10.687 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -6.633 4.822 -11.994 1.00 0.00 H new ATOM 378 N ALA B 5 -4.794 0.378 -12.183 1.00 0.00 N ATOM 379 CA ALA B 5 -4.364 -0.998 -11.955 1.00 0.00 C ATOM 380 C ALA B 5 -2.838 -1.086 -11.983 1.00 0.00 C ATOM 381 O ALA B 5 -2.242 -1.963 -11.354 1.00 0.00 O ATOM 382 CB ALA B 5 -4.953 -1.915 -13.030 1.00 0.00 C ATOM 0 H ALA B 5 -5.403 0.503 -12.992 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.720 -1.318 -10.976 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.627 -2.940 -12.852 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.041 -1.868 -12.992 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.610 -1.591 -14.013 1.00 0.00 H new ATOM 388 N GLU B 6 -2.212 -0.170 -12.711 1.00 0.00 N ATOM 389 CA GLU B 6 -0.758 -0.147 -12.809 1.00 0.00 C ATOM 390 C GLU B 6 -0.138 0.072 -11.433 1.00 0.00 C ATOM 391 O GLU B 6 0.911 -0.491 -11.117 1.00 0.00 O ATOM 392 CB GLU B 6 -0.312 0.967 -13.758 1.00 0.00 C ATOM 393 CG GLU B 6 -0.704 0.603 -15.190 1.00 0.00 C ATOM 394 CD GLU B 6 -0.336 1.740 -16.136 1.00 0.00 C ATOM 395 OE1 GLU B 6 0.112 2.767 -15.652 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.505 1.567 -17.333 1.00 0.00 O ATOM 0 H GLU B 6 -2.685 0.563 -13.240 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.422 -1.107 -13.201 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.776 1.911 -13.471 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.767 1.108 -13.689 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.196 -0.312 -15.493 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.775 0.406 -15.244 1.00 0.00 H new ATOM 403 N GLU B 7 -0.789 0.890 -10.617 1.00 0.00 N ATOM 404 CA GLU B 7 -0.289 1.169 -9.276 1.00 0.00 C ATOM 405 C GLU B 7 -0.246 -0.106 -8.440 1.00 0.00 C ATOM 406 O GLU B 7 0.696 -0.338 -7.683 1.00 0.00 O ATOM 407 CB GLU B 7 -1.182 2.212 -8.588 1.00 0.00 C ATOM 408 CG GLU B 7 -0.675 2.465 -7.163 1.00 0.00 C ATOM 409 CD GLU B 7 0.761 2.966 -7.205 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.478 2.715 -6.252 1.00 0.00 O ATOM 411 OE2 GLU B 7 1.123 3.591 -8.189 1.00 0.00 O ATOM 0 H GLU B 7 -1.657 1.369 -10.856 1.00 0.00 H new ATOM 0 HA GLU B 7 0.724 1.562 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.177 3.142 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.214 1.861 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.311 3.198 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.732 1.546 -6.579 1.00 0.00 H new ATOM 418 N ILE B 8 -1.267 -0.932 -8.584 1.00 0.00 N ATOM 419 CA ILE B 8 -1.340 -2.188 -7.843 1.00 0.00 C ATOM 420 C ILE B 8 -0.166 -3.084 -8.224 1.00 0.00 C ATOM 421 O ILE B 8 0.453 -3.717 -7.371 1.00 0.00 O ATOM 422 CB ILE B 8 -2.669 -2.898 -8.133 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.806 -2.172 -7.400 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.598 -4.355 -7.657 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.906 -0.724 -7.880 1.00 0.00 C ATOM 0 H ILE B 8 -2.058 -0.760 -9.205 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.288 -1.974 -6.776 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.858 -2.883 -9.206 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.750 -2.687 -7.578 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.628 -2.195 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.545 -4.853 -7.866 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.794 -4.870 -8.182 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.405 -4.378 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.716 -0.221 -7.352 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.967 -0.208 -7.679 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -4.106 -0.709 -8.951 1.00 0.00 H new ATOM 437 N THR B 9 0.136 -3.130 -9.510 1.00 0.00 N ATOM 438 CA THR B 9 1.242 -3.947 -9.990 1.00 0.00 C ATOM 439 C THR B 9 2.546 -3.480 -9.344 1.00 0.00 C ATOM 440 O THR B 9 3.381 -4.294 -8.949 1.00 0.00 O ATOM 441 CB THR B 9 1.349 -3.846 -11.511 1.00 0.00 C ATOM 442 OG1 THR B 9 0.154 -4.341 -12.100 1.00 0.00 O ATOM 443 CG2 THR B 9 2.541 -4.674 -11.999 1.00 0.00 C ATOM 0 H THR B 9 -0.363 -2.617 -10.237 1.00 0.00 H new ATOM 0 HA THR B 9 1.059 -4.987 -9.719 1.00 0.00 H new ATOM 0 HB THR B 9 1.493 -2.804 -11.797 1.00 0.00 H new ATOM 0 HG1 THR B 9 0.219 -4.276 -13.076 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.615 -4.600 -13.084 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.457 -4.295 -11.546 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.400 -5.717 -11.715 1.00 0.00 H new ATOM 451 N ARG B 10 2.709 -2.166 -9.239 1.00 0.00 N ATOM 452 CA ARG B 10 3.909 -1.600 -8.633 1.00 0.00 C ATOM 453 C ARG B 10 4.020 -2.036 -7.172 1.00 0.00 C ATOM 454 O ARG B 10 5.101 -2.379 -6.696 1.00 0.00 O ATOM 455 CB ARG B 10 3.864 -0.071 -8.710 1.00 0.00 C ATOM 456 CG ARG B 10 5.167 0.507 -8.155 1.00 0.00 C ATOM 457 CD ARG B 10 5.155 2.030 -8.280 1.00 0.00 C ATOM 458 NE ARG B 10 4.175 2.610 -7.364 1.00 0.00 N ATOM 459 CZ ARG B 10 4.005 3.927 -7.287 1.00 0.00 C ATOM 460 NH1 ARG B 10 3.137 4.425 -6.452 1.00 0.00 N ATOM 461 NH2 ARG B 10 4.715 4.721 -8.039 1.00 0.00 N ATOM 0 H ARG B 10 2.031 -1.477 -9.563 1.00 0.00 H new ATOM 0 HA ARG B 10 4.779 -1.963 -9.180 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.723 0.248 -9.743 1.00 0.00 H new ATOM 0 HB3 ARG B 10 3.015 0.307 -8.141 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.286 0.220 -7.110 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.018 0.095 -8.698 1.00 0.00 H new ATOM 0 HD2 ARG B 10 6.146 2.427 -8.061 1.00 0.00 H new ATOM 0 HD3 ARG B 10 4.917 2.315 -9.305 1.00 0.00 H new ATOM 0 HE ARG B 10 3.613 1.996 -6.775 1.00 0.00 H new ATOM 0 HH11 ARG B 10 2.588 3.805 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG B 10 3.007 5.435 -6.393 1.00 0.00 H new ATOM 0 HH21 ARG B 10 5.401 4.332 -8.686 1.00 0.00 H new ATOM 0 HH22 ARG B 10 4.585 5.731 -7.980 1.00 0.00 H new ATOM 475 N CYS B 11 2.893 -2.021 -6.467 1.00 0.00 N ATOM 476 CA CYS B 11 2.877 -2.420 -5.065 1.00 0.00 C ATOM 477 C CYS B 11 3.457 -3.819 -4.905 1.00 0.00 C ATOM 478 O CYS B 11 4.257 -4.069 -4.007 1.00 0.00 O ATOM 479 CB CYS B 11 1.446 -2.393 -4.533 1.00 0.00 C ATOM 480 SG CYS B 11 0.955 -0.688 -4.199 1.00 0.00 S ATOM 0 H CYS B 11 1.986 -1.739 -6.840 1.00 0.00 H new ATOM 0 HA CYS B 11 3.487 -1.718 -4.496 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.769 -2.841 -5.260 1.00 0.00 H new ATOM 0 HB3 CYS B 11 1.375 -2.988 -3.622 1.00 0.00 H new ATOM 0 HG CYS B 11 0.725 -0.075 -5.322 1.00 0.00 H new ATOM 485 N LYS B 12 3.056 -4.726 -5.786 1.00 0.00 N ATOM 486 CA LYS B 12 3.550 -6.097 -5.726 1.00 0.00 C ATOM 487 C LYS B 12 5.068 -6.120 -5.870 1.00 0.00 C ATOM 488 O LYS B 12 5.762 -6.815 -5.126 1.00 0.00 O ATOM 489 CB LYS B 12 2.910 -6.926 -6.845 1.00 0.00 C ATOM 490 CG LYS B 12 3.396 -8.376 -6.756 1.00 0.00 C ATOM 491 CD LYS B 12 2.723 -9.208 -7.846 1.00 0.00 C ATOM 492 CE LYS B 12 3.204 -10.657 -7.748 1.00 0.00 C ATOM 493 NZ LYS B 12 2.546 -11.471 -8.808 1.00 0.00 N ATOM 0 H LYS B 12 2.398 -4.542 -6.543 1.00 0.00 H new ATOM 0 HA LYS B 12 3.283 -6.526 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.824 -6.891 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.169 -6.505 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.479 -8.415 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS B 12 3.164 -8.788 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.639 -9.165 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.960 -8.800 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS B 12 4.287 -10.700 -7.861 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.970 -11.064 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.873 -12.456 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 1.514 -11.439 -8.680 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 2.791 -11.087 -9.743 1.00 0.00 H new ATOM 507 N LYS B 13 5.577 -5.350 -6.822 1.00 0.00 N ATOM 508 CA LYS B 13 7.016 -5.282 -7.049 1.00 0.00 C ATOM 509 C LYS B 13 7.713 -4.724 -5.813 1.00 0.00 C ATOM 510 O LYS B 13 8.790 -5.182 -5.437 1.00 0.00 O ATOM 511 CB LYS B 13 7.311 -4.407 -8.260 1.00 0.00 C ATOM 512 CG LYS B 13 8.808 -4.458 -8.573 1.00 0.00 C ATOM 513 CD LYS B 13 9.081 -3.806 -9.933 1.00 0.00 C ATOM 514 CE LYS B 13 8.873 -2.293 -9.841 1.00 0.00 C ATOM 515 NZ LYS B 13 9.333 -1.652 -11.100 1.00 0.00 N ATOM 0 H LYS B 13 5.020 -4.767 -7.446 1.00 0.00 H new ATOM 0 HA LYS B 13 7.393 -6.286 -7.241 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.737 -4.752 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.004 -3.380 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.369 -3.942 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS B 13 9.151 -5.492 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS B 13 10.101 -4.022 -10.251 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.416 -4.227 -10.687 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.820 -2.070 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS B 13 9.426 -1.890 -8.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 9.192 -0.624 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.343 -1.855 -11.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 8.787 -2.029 -11.901 1.00 0.00 H new ATOM 529 N LEU B 14 7.090 -3.735 -5.186 1.00 0.00 N ATOM 530 CA LEU B 14 7.661 -3.130 -3.988 1.00 0.00 C ATOM 531 C LEU B 14 7.779 -4.151 -2.862 1.00 0.00 C ATOM 532 O LEU B 14 8.788 -4.196 -2.150 1.00 0.00 O ATOM 533 CB LEU B 14 6.772 -1.965 -3.530 1.00 0.00 C ATOM 534 CG LEU B 14 6.925 -0.774 -4.492 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.810 0.257 -4.232 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.298 -0.103 -4.273 1.00 0.00 C ATOM 0 H LEU B 14 6.199 -3.337 -5.482 1.00 0.00 H new ATOM 0 HA LEU B 14 8.660 -2.766 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.730 -2.284 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.046 -1.664 -2.519 1.00 0.00 H new ATOM 0 HG LEU B 14 6.852 -1.135 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.925 1.097 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.838 -0.210 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.877 0.614 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.404 0.740 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.370 0.251 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.091 -0.826 -4.464 1.00 0.00 H new ATOM 548 N LEU B 15 6.752 -4.971 -2.705 1.00 0.00 N ATOM 549 CA LEU B 15 6.761 -5.972 -1.651 1.00 0.00 C ATOM 550 C LEU B 15 7.889 -6.970 -1.878 1.00 0.00 C ATOM 551 O LEU B 15 8.594 -7.344 -0.943 1.00 0.00 O ATOM 552 CB LEU B 15 5.419 -6.707 -1.641 1.00 0.00 C ATOM 553 CG LEU B 15 4.304 -5.741 -1.210 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.942 -6.413 -1.408 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.475 -5.334 0.265 1.00 0.00 C ATOM 0 H LEU B 15 5.913 -4.964 -3.285 1.00 0.00 H new ATOM 0 HA LEU B 15 6.919 -5.478 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.205 -7.106 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.463 -7.555 -0.958 1.00 0.00 H new ATOM 0 HG LEU B 15 4.363 -4.842 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.151 -5.728 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.813 -6.671 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.892 -7.319 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.675 -4.650 0.549 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.433 -6.223 0.895 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.438 -4.841 0.397 1.00 0.00 H new ATOM 567 N ASP B 16 8.066 -7.384 -3.124 1.00 0.00 N ATOM 568 CA ASP B 16 9.130 -8.323 -3.461 1.00 0.00 C ATOM 569 C ASP B 16 10.503 -7.681 -3.262 1.00 0.00 C ATOM 570 O ASP B 16 11.442 -8.311 -2.770 1.00 0.00 O ATOM 571 CB ASP B 16 8.977 -8.785 -4.910 1.00 0.00 C ATOM 572 CG ASP B 16 7.769 -9.710 -5.036 1.00 0.00 C ATOM 573 OD1 ASP B 16 7.343 -9.947 -6.155 1.00 0.00 O ATOM 574 OD2 ASP B 16 7.287 -10.169 -4.012 1.00 0.00 O ATOM 0 H ASP B 16 7.493 -7.088 -3.914 1.00 0.00 H new ATOM 0 HA ASP B 16 9.052 -9.184 -2.797 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.855 -7.922 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.879 -9.305 -5.232 1.00 0.00 H new ATOM 579 N ASP B 17 10.606 -6.412 -3.652 1.00 0.00 N ATOM 580 CA ASP B 17 11.859 -5.678 -3.534 1.00 0.00 C ATOM 581 C ASP B 17 12.203 -5.452 -2.068 1.00 0.00 C ATOM 582 O ASP B 17 13.312 -5.032 -1.737 1.00 0.00 O ATOM 583 CB ASP B 17 11.761 -4.339 -4.259 1.00 0.00 C ATOM 584 CG ASP B 17 11.722 -4.563 -5.767 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.365 -3.633 -6.473 1.00 0.00 O ATOM 586 OD2 ASP B 17 12.057 -5.655 -6.195 1.00 0.00 O ATOM 0 H ASP B 17 9.837 -5.874 -4.051 1.00 0.00 H new ATOM 0 HA ASP B 17 12.650 -6.270 -3.995 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.865 -3.808 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.614 -3.712 -3.998 1.00 0.00 H new ATOM 591 N SER B 18 11.244 -5.729 -1.196 1.00 0.00 N ATOM 592 CA SER B 18 11.453 -5.542 0.234 1.00 0.00 C ATOM 593 C SER B 18 12.675 -6.322 0.697 1.00 0.00 C ATOM 594 O SER B 18 13.361 -5.921 1.639 1.00 0.00 O ATOM 595 CB SER B 18 10.224 -6.023 1.012 1.00 0.00 C ATOM 596 OG SER B 18 10.269 -5.508 2.335 1.00 0.00 O ATOM 0 H SER B 18 10.321 -6.081 -1.450 1.00 0.00 H new ATOM 0 HA SER B 18 11.612 -4.480 0.422 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.313 -5.693 0.513 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.199 -7.112 1.035 1.00 0.00 H new ATOM 0 HG SER B 18 9.822 -6.132 2.944 1.00 0.00 H new ATOM 602 N SER B 19 12.939 -7.429 0.033 1.00 0.00 N ATOM 603 CA SER B 19 14.090 -8.264 0.387 1.00 0.00 C ATOM 604 C SER B 19 15.378 -7.697 -0.201 1.00 0.00 C ATOM 605 O SER B 19 16.478 -8.119 0.155 1.00 0.00 O ATOM 606 CB SER B 19 13.885 -9.692 -0.124 1.00 0.00 C ATOM 607 OG SER B 19 13.926 -9.688 -1.544 1.00 0.00 O ATOM 0 H SER B 19 12.384 -7.777 -0.749 1.00 0.00 H new ATOM 0 HA SER B 19 14.175 -8.274 1.474 1.00 0.00 H new ATOM 0 HB2 SER B 19 14.660 -10.348 0.273 1.00 0.00 H new ATOM 0 HB3 SER B 19 12.928 -10.082 0.223 1.00 0.00 H new ATOM 0 HG SER B 19 13.124 -9.246 -1.893 1.00 0.00 H new ATOM 613 N SER B 20 15.227 -6.735 -1.090 1.00 0.00 N ATOM 614 CA SER B 20 16.377 -6.091 -1.726 1.00 0.00 C ATOM 615 C SER B 20 16.982 -5.034 -0.809 1.00 0.00 C ATOM 616 O SER B 20 16.284 -4.434 0.008 1.00 0.00 O ATOM 617 CB SER B 20 15.962 -5.446 -3.048 1.00 0.00 C ATOM 618 OG SER B 20 15.210 -6.381 -3.809 1.00 0.00 O ATOM 0 H SER B 20 14.322 -6.377 -1.394 1.00 0.00 H new ATOM 0 HA SER B 20 17.127 -6.858 -1.920 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.368 -4.552 -2.859 1.00 0.00 H new ATOM 0 HB3 SER B 20 16.844 -5.131 -3.605 1.00 0.00 H new ATOM 0 HG SER B 20 14.940 -5.971 -4.657 1.00 0.00 H new ATOM 625 N LYS C 1 18.284 -4.806 -0.951 1.00 0.00 N ATOM 626 CA LYS C 1 18.969 -3.815 -0.130 1.00 0.00 C ATOM 627 C LYS C 1 18.671 -2.408 -0.629 1.00 0.00 C ATOM 628 O LYS C 1 19.287 -1.436 -0.191 1.00 0.00 O ATOM 629 CB LYS C 1 20.479 -4.062 -0.161 1.00 0.00 C ATOM 630 CG LYS C 1 20.793 -5.387 0.533 1.00 0.00 C ATOM 631 CD LYS C 1 22.301 -5.645 0.486 1.00 0.00 C ATOM 632 CE LYS C 1 22.613 -6.984 1.155 1.00 0.00 C ATOM 633 NZ LYS C 1 22.282 -6.901 2.607 1.00 0.00 N ATOM 0 H3 LYS C 1 18.195 -5.695 -0.419 1.00 0.00 H new ATOM 0 HA LYS C 1 18.608 -3.908 0.894 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.833 -4.086 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS C 1 21.002 -3.246 0.337 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.451 -5.358 1.567 1.00 0.00 H new ATOM 0 HG3 LYS C 1 20.259 -6.201 0.043 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.647 -5.654 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.834 -4.841 0.993 1.00 0.00 H new ATOM 0 HE2 LYS C 1 22.037 -7.781 0.684 1.00 0.00 H new ATOM 0 HE3 LYS C 1 23.666 -7.232 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 22.761 -7.670 3.117 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 22.600 -5.985 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 21.254 -6.989 2.734 1.00 0.00 H new ATOM 647 N ASN C 2 17.725 -2.310 -1.555 1.00 0.00 N ATOM 648 CA ASN C 2 17.364 -1.018 -2.118 1.00 0.00 C ATOM 649 C ASN C 2 16.710 -0.129 -1.057 1.00 0.00 C ATOM 650 O ASN C 2 16.067 -0.625 -0.131 1.00 0.00 O ATOM 651 CB ASN C 2 16.397 -1.214 -3.295 1.00 0.00 C ATOM 652 CG ASN C 2 15.132 -1.904 -2.817 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.114 -2.486 -1.734 1.00 0.00 O ATOM 654 ND2 ASN C 2 14.065 -1.869 -3.562 1.00 0.00 N ATOM 0 H ASN C 2 17.200 -3.101 -1.928 1.00 0.00 H new ATOM 0 HA ASN C 2 18.272 -0.529 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.150 -0.249 -3.738 1.00 0.00 H new ATOM 0 HB3 ASN C 2 16.874 -1.809 -4.073 1.00 0.00 H new ATOM 0 HD21 ASN C 2 13.209 -2.326 -3.248 1.00 0.00 H new ATOM 0 HD22 ASN C 2 14.085 -1.385 -4.460 1.00 0.00 H new ATOM 661 N PRO C 3 16.856 1.169 -1.176 1.00 0.00 N ATOM 662 CA PRO C 3 16.261 2.141 -0.208 1.00 0.00 C ATOM 663 C PRO C 3 14.733 2.125 -0.246 1.00 0.00 C ATOM 664 O PRO C 3 14.072 2.565 0.693 1.00 0.00 O ATOM 665 CB PRO C 3 16.825 3.500 -0.662 1.00 0.00 C ATOM 666 CG PRO C 3 17.183 3.311 -2.102 1.00 0.00 C ATOM 667 CD PRO C 3 17.614 1.861 -2.238 1.00 0.00 C ATOM 0 HA PRO C 3 16.513 1.904 0.826 1.00 0.00 H new ATOM 0 HB2 PRO C 3 16.088 4.294 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO C 3 17.697 3.782 -0.072 1.00 0.00 H new ATOM 0 HG2 PRO C 3 16.332 3.527 -2.748 1.00 0.00 H new ATOM 0 HG3 PRO C 3 17.986 3.986 -2.396 1.00 0.00 H new ATOM 0 HD2 PRO C 3 17.375 1.463 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO C 3 18.689 1.748 -2.101 1.00 0.00 H new ATOM 675 N GLU C 4 14.181 1.616 -1.339 1.00 0.00 N ATOM 676 CA GLU C 4 12.733 1.550 -1.494 1.00 0.00 C ATOM 677 C GLU C 4 12.124 0.634 -0.439 1.00 0.00 C ATOM 678 O GLU C 4 10.928 0.696 -0.169 1.00 0.00 O ATOM 679 CB GLU C 4 12.373 1.044 -2.890 1.00 0.00 C ATOM 680 CG GLU C 4 12.755 2.096 -3.931 1.00 0.00 C ATOM 681 CD GLU C 4 12.497 1.558 -5.334 1.00 0.00 C ATOM 682 OE1 GLU C 4 12.669 2.311 -6.278 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.136 0.397 -5.444 1.00 0.00 O ATOM 0 H GLU C 4 14.710 1.244 -2.128 1.00 0.00 H new ATOM 0 HA GLU C 4 12.328 2.553 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU C 4 12.895 0.109 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU C 4 11.305 0.832 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU C 4 12.177 3.006 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU C 4 13.806 2.362 -3.822 1.00 0.00 H new ATOM 690 N ALA C 5 12.962 -0.208 0.157 1.00 0.00 N ATOM 691 CA ALA C 5 12.502 -1.137 1.184 1.00 0.00 C ATOM 692 C ALA C 5 11.866 -0.365 2.340 1.00 0.00 C ATOM 693 O ALA C 5 11.001 -0.885 3.050 1.00 0.00 O ATOM 694 CB ALA C 5 13.679 -1.968 1.702 1.00 0.00 C ATOM 0 H ALA C 5 13.959 -0.267 -0.052 1.00 0.00 H new ATOM 0 HA ALA C 5 11.758 -1.804 0.749 1.00 0.00 H new ATOM 0 HB1 ALA C 5 13.327 -2.659 2.468 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.117 -2.532 0.878 1.00 0.00 H new ATOM 0 HB3 ALA C 5 14.432 -1.306 2.129 1.00 0.00 H new ATOM 700 N GLU C 6 12.298 0.877 2.522 1.00 0.00 N ATOM 701 CA GLU C 6 11.760 1.716 3.587 1.00 0.00 C ATOM 702 C GLU C 6 10.264 1.940 3.384 1.00 0.00 C ATOM 703 O GLU C 6 9.496 1.983 4.345 1.00 0.00 O ATOM 704 CB GLU C 6 12.483 3.062 3.613 1.00 0.00 C ATOM 705 CG GLU C 6 13.923 2.858 4.086 1.00 0.00 C ATOM 706 CD GLU C 6 14.676 4.183 4.054 1.00 0.00 C ATOM 707 OE1 GLU C 6 14.090 5.164 3.627 1.00 0.00 O ATOM 708 OE2 GLU C 6 15.827 4.198 4.458 1.00 0.00 O ATOM 0 H GLU C 6 13.015 1.324 1.950 1.00 0.00 H new ATOM 0 HA GLU C 6 11.915 1.207 4.538 1.00 0.00 H new ATOM 0 HB2 GLU C 6 12.475 3.510 2.619 1.00 0.00 H new ATOM 0 HB3 GLU C 6 11.965 3.753 4.278 1.00 0.00 H new ATOM 0 HG2 GLU C 6 13.928 2.452 5.098 1.00 0.00 H new ATOM 0 HG3 GLU C 6 14.424 2.130 3.448 1.00 0.00 H new ATOM 715 N GLU C 7 9.855 2.080 2.129 1.00 0.00 N ATOM 716 CA GLU C 7 8.448 2.298 1.817 1.00 0.00 C ATOM 717 C GLU C 7 7.604 1.112 2.276 1.00 0.00 C ATOM 718 O GLU C 7 6.508 1.281 2.805 1.00 0.00 O ATOM 719 CB GLU C 7 8.270 2.506 0.307 1.00 0.00 C ATOM 720 CG GLU C 7 6.780 2.678 -0.019 1.00 0.00 C ATOM 721 CD GLU C 7 6.219 3.876 0.735 1.00 0.00 C ATOM 722 OE1 GLU C 7 5.039 3.855 1.045 1.00 0.00 O ATOM 723 OE2 GLU C 7 6.976 4.798 0.990 1.00 0.00 O ATOM 0 H GLU C 7 10.471 2.047 1.317 1.00 0.00 H new ATOM 0 HA GLU C 7 8.114 3.190 2.346 1.00 0.00 H new ATOM 0 HB2 GLU C 7 8.827 3.385 -0.017 1.00 0.00 H new ATOM 0 HB3 GLU C 7 8.675 1.653 -0.238 1.00 0.00 H new ATOM 0 HG2 GLU C 7 6.647 2.818 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU C 7 6.232 1.776 0.255 1.00 0.00 H new ATOM 730 N ILE C 8 8.128 -0.085 2.079 1.00 0.00 N ATOM 731 CA ILE C 8 7.425 -1.298 2.486 1.00 0.00 C ATOM 732 C ILE C 8 7.217 -1.302 3.993 1.00 0.00 C ATOM 733 O ILE C 8 6.148 -1.656 4.486 1.00 0.00 O ATOM 734 CB ILE C 8 8.212 -2.540 2.049 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.097 -2.710 0.527 1.00 0.00 C ATOM 736 CG2 ILE C 8 7.665 -3.783 2.755 1.00 0.00 C ATOM 737 CD1 ILE C 8 8.666 -1.496 -0.196 1.00 0.00 C ATOM 0 H ILE C 8 9.035 -0.247 1.641 1.00 0.00 H new ATOM 0 HA ILE C 8 6.449 -1.319 2.000 1.00 0.00 H new ATOM 0 HB ILE C 8 9.260 -2.415 2.321 1.00 0.00 H new ATOM 0 HG12 ILE C 8 8.630 -3.608 0.215 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.052 -2.848 0.250 1.00 0.00 H new ATOM 0 HG21 ILE C 8 8.230 -4.660 2.438 1.00 0.00 H new ATOM 0 HG22 ILE C 8 7.760 -3.660 3.834 1.00 0.00 H new ATOM 0 HG23 ILE C 8 6.614 -3.916 2.496 1.00 0.00 H new ATOM 0 HD11 ILE C 8 8.574 -1.638 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.114 -0.604 0.101 1.00 0.00 H new ATOM 0 HD13 ILE C 8 9.717 -1.376 0.066 1.00 0.00 H new ATOM 749 N THR C 9 8.241 -0.902 4.721 1.00 0.00 N ATOM 750 CA THR C 9 8.154 -0.860 6.174 1.00 0.00 C ATOM 751 C THR C 9 7.035 0.092 6.595 1.00 0.00 C ATOM 752 O THR C 9 6.274 -0.199 7.519 1.00 0.00 O ATOM 753 CB THR C 9 9.483 -0.389 6.766 1.00 0.00 C ATOM 754 OG1 THR C 9 10.506 -1.311 6.417 1.00 0.00 O ATOM 755 CG2 THR C 9 9.367 -0.304 8.290 1.00 0.00 C ATOM 0 H THR C 9 9.138 -0.603 4.338 1.00 0.00 H new ATOM 0 HA THR C 9 7.936 -1.861 6.546 1.00 0.00 H new ATOM 0 HB THR C 9 9.729 0.596 6.370 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.359 -1.011 6.794 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.316 0.032 8.709 1.00 0.00 H new ATOM 0 HG22 THR C 9 8.582 0.404 8.556 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.121 -1.287 8.692 1.00 0.00 H new ATOM 763 N ARG C 10 6.940 1.227 5.910 1.00 0.00 N ATOM 764 CA ARG C 10 5.908 2.209 6.216 1.00 0.00 C ATOM 765 C ARG C 10 4.522 1.604 6.001 1.00 0.00 C ATOM 766 O ARG C 10 3.609 1.818 6.800 1.00 0.00 O ATOM 767 CB ARG C 10 6.074 3.439 5.319 1.00 0.00 C ATOM 768 CG ARG C 10 5.045 4.501 5.714 1.00 0.00 C ATOM 769 CD ARG C 10 5.241 5.755 4.862 1.00 0.00 C ATOM 770 NE ARG C 10 4.865 5.494 3.474 1.00 0.00 N ATOM 771 CZ ARG C 10 4.941 6.450 2.554 1.00 0.00 C ATOM 772 NH1 ARG C 10 4.585 6.199 1.325 1.00 0.00 N ATOM 773 NH2 ARG C 10 5.359 7.641 2.881 1.00 0.00 N ATOM 0 H ARG C 10 7.561 1.488 5.144 1.00 0.00 H new ATOM 0 HA ARG C 10 6.009 2.506 7.260 1.00 0.00 H new ATOM 0 HB2 ARG C 10 7.083 3.840 5.417 1.00 0.00 H new ATOM 0 HB3 ARG C 10 5.942 3.160 4.274 1.00 0.00 H new ATOM 0 HG2 ARG C 10 4.036 4.111 5.577 1.00 0.00 H new ATOM 0 HG3 ARG C 10 5.151 4.748 6.770 1.00 0.00 H new ATOM 0 HD2 ARG C 10 4.638 6.571 5.261 1.00 0.00 H new ATOM 0 HD3 ARG C 10 6.282 6.075 4.909 1.00 0.00 H new ATOM 0 HE ARG C 10 4.540 4.565 3.208 1.00 0.00 H new ATOM 0 HH11 ARG C 10 4.249 5.270 1.071 1.00 0.00 H new ATOM 0 HH12 ARG C 10 4.643 6.932 0.618 1.00 0.00 H new ATOM 0 HH21 ARG C 10 5.628 7.840 3.844 1.00 0.00 H new ATOM 0 HH22 ARG C 10 5.417 8.373 2.173 1.00 0.00 H new ATOM 787 N CYS C 11 4.371 0.848 4.919 1.00 0.00 N ATOM 788 CA CYS C 11 3.092 0.215 4.613 1.00 0.00 C ATOM 789 C CYS C 11 2.626 -0.635 5.788 1.00 0.00 C ATOM 790 O CYS C 11 1.458 -0.590 6.172 1.00 0.00 O ATOM 791 CB CYS C 11 3.225 -0.658 3.370 1.00 0.00 C ATOM 792 SG CYS C 11 3.263 0.387 1.896 1.00 0.00 S ATOM 0 H CYS C 11 5.112 0.659 4.244 1.00 0.00 H new ATOM 0 HA CYS C 11 2.355 0.996 4.427 1.00 0.00 H new ATOM 0 HB2 CYS C 11 4.135 -1.255 3.428 1.00 0.00 H new ATOM 0 HB3 CYS C 11 2.389 -1.356 3.312 1.00 0.00 H new ATOM 0 HG CYS C 11 4.406 1.002 1.830 1.00 0.00 H new ATOM 797 N LYS C 12 3.542 -1.402 6.362 1.00 0.00 N ATOM 798 CA LYS C 12 3.203 -2.254 7.496 1.00 0.00 C ATOM 799 C LYS C 12 2.680 -1.411 8.655 1.00 0.00 C ATOM 800 O LYS C 12 1.673 -1.749 9.279 1.00 0.00 O ATOM 801 CB LYS C 12 4.439 -3.041 7.941 1.00 0.00 C ATOM 802 CG LYS C 12 4.075 -3.958 9.112 1.00 0.00 C ATOM 803 CD LYS C 12 5.300 -4.769 9.527 1.00 0.00 C ATOM 804 CE LYS C 12 4.933 -5.685 10.695 1.00 0.00 C ATOM 805 NZ LYS C 12 6.127 -6.478 11.100 1.00 0.00 N ATOM 0 H LYS C 12 4.517 -1.453 6.066 1.00 0.00 H new ATOM 0 HA LYS C 12 2.423 -2.951 7.191 1.00 0.00 H new ATOM 0 HB2 LYS C 12 4.824 -3.632 7.110 1.00 0.00 H new ATOM 0 HB3 LYS C 12 5.232 -2.354 8.238 1.00 0.00 H new ATOM 0 HG2 LYS C 12 3.717 -3.365 9.954 1.00 0.00 H new ATOM 0 HG3 LYS C 12 3.264 -4.627 8.825 1.00 0.00 H new ATOM 0 HD2 LYS C 12 5.659 -5.361 8.685 1.00 0.00 H new ATOM 0 HD3 LYS C 12 6.111 -4.101 9.816 1.00 0.00 H new ATOM 0 HE2 LYS C 12 4.574 -5.092 11.537 1.00 0.00 H new ATOM 0 HE3 LYS C 12 4.121 -6.352 10.406 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 5.877 -7.101 11.894 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 6.450 -7.054 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 6.889 -5.833 11.392 1.00 0.00 H new ATOM 819 N LYS C 13 3.362 -0.307 8.928 1.00 0.00 N ATOM 820 CA LYS C 13 2.952 0.585 10.008 1.00 0.00 C ATOM 821 C LYS C 13 1.570 1.158 9.712 1.00 0.00 C ATOM 822 O LYS C 13 0.742 1.301 10.610 1.00 0.00 O ATOM 823 CB LYS C 13 3.966 1.711 10.165 1.00 0.00 C ATOM 824 CG LYS C 13 3.601 2.558 11.388 1.00 0.00 C ATOM 825 CD LYS C 13 4.744 3.526 11.712 1.00 0.00 C ATOM 826 CE LYS C 13 4.829 4.614 10.641 1.00 0.00 C ATOM 827 NZ LYS C 13 5.796 5.657 11.070 1.00 0.00 N ATOM 0 H LYS C 13 4.196 -0.008 8.422 1.00 0.00 H new ATOM 0 HA LYS C 13 2.907 0.020 10.939 1.00 0.00 H new ATOM 0 HB2 LYS C 13 4.968 1.299 10.280 1.00 0.00 H new ATOM 0 HB3 LYS C 13 3.978 2.332 9.269 1.00 0.00 H new ATOM 0 HG2 LYS C 13 2.684 3.115 11.195 1.00 0.00 H new ATOM 0 HG3 LYS C 13 3.407 1.912 12.244 1.00 0.00 H new ATOM 0 HD2 LYS C 13 4.581 3.979 12.690 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.687 2.983 11.765 1.00 0.00 H new ATOM 0 HE2 LYS C 13 5.143 4.181 9.691 1.00 0.00 H new ATOM 0 HE3 LYS C 13 3.847 5.058 10.480 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 5.854 6.397 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 5.478 6.077 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 6.734 5.227 11.203 1.00 0.00 H new ATOM 841 N LEU C 14 1.328 1.481 8.448 1.00 0.00 N ATOM 842 CA LEU C 14 0.036 2.030 8.051 1.00 0.00 C ATOM 843 C LEU C 14 -1.086 1.031 8.311 1.00 0.00 C ATOM 844 O LEU C 14 -2.163 1.400 8.796 1.00 0.00 O ATOM 845 CB LEU C 14 0.070 2.383 6.557 1.00 0.00 C ATOM 846 CG LEU C 14 0.927 3.640 6.329 1.00 0.00 C ATOM 847 CD1 LEU C 14 1.242 3.796 4.829 1.00 0.00 C ATOM 848 CD2 LEU C 14 0.159 4.887 6.818 1.00 0.00 C ATOM 0 H LEU C 14 2.000 1.375 7.688 1.00 0.00 H new ATOM 0 HA LEU C 14 -0.156 2.925 8.643 1.00 0.00 H new ATOM 0 HB2 LEU C 14 0.477 1.548 5.987 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.943 2.553 6.193 1.00 0.00 H new ATOM 0 HG LEU C 14 1.858 3.539 6.886 1.00 0.00 H new ATOM 0 HD11 LEU C 14 1.849 4.688 4.676 1.00 0.00 H new ATOM 0 HD12 LEU C 14 1.789 2.920 4.479 1.00 0.00 H new ATOM 0 HD13 LEU C 14 0.311 3.890 4.270 1.00 0.00 H new ATOM 0 HD21 LEU C 14 0.768 5.776 6.656 1.00 0.00 H new ATOM 0 HD22 LEU C 14 -0.775 4.980 6.263 1.00 0.00 H new ATOM 0 HD23 LEU C 14 -0.059 4.786 7.881 1.00 0.00 H new ATOM 860 N LEU C 15 -0.837 -0.228 7.989 1.00 0.00 N ATOM 861 CA LEU C 15 -1.850 -1.253 8.186 1.00 0.00 C ATOM 862 C LEU C 15 -2.180 -1.396 9.666 1.00 0.00 C ATOM 863 O LEU C 15 -3.346 -1.501 10.040 1.00 0.00 O ATOM 864 CB LEU C 15 -1.327 -2.586 7.645 1.00 0.00 C ATOM 865 CG LEU C 15 -1.182 -2.502 6.117 1.00 0.00 C ATOM 866 CD1 LEU C 15 -0.457 -3.749 5.605 1.00 0.00 C ATOM 867 CD2 LEU C 15 -2.563 -2.393 5.443 1.00 0.00 C ATOM 0 H LEU C 15 0.043 -0.562 7.596 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.757 -0.966 7.653 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -0.365 -2.822 8.099 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -2.011 -3.392 7.912 1.00 0.00 H new ATOM 0 HG LEU C 15 -0.605 -1.611 5.869 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -0.354 -3.691 4.521 1.00 0.00 H new ATOM 0 HD12 LEU C 15 0.531 -3.808 6.061 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -1.032 -4.637 5.867 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -2.437 -2.335 4.362 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -3.160 -3.271 5.692 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -3.071 -1.496 5.798 1.00 0.00 H new ATOM 879 N ASP C 16 -1.149 -1.380 10.501 1.00 0.00 N ATOM 880 CA ASP C 16 -1.348 -1.488 11.942 1.00 0.00 C ATOM 881 C ASP C 16 -2.086 -0.261 12.479 1.00 0.00 C ATOM 882 O ASP C 16 -2.966 -0.364 13.337 1.00 0.00 O ATOM 883 CB ASP C 16 0.001 -1.634 12.645 1.00 0.00 C ATOM 884 CG ASP C 16 0.588 -3.014 12.362 1.00 0.00 C ATOM 885 OD1 ASP C 16 1.763 -3.204 12.635 1.00 0.00 O ATOM 886 OD2 ASP C 16 -0.143 -3.860 11.875 1.00 0.00 O ATOM 0 H ASP C 16 -0.175 -1.294 10.210 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.955 -2.371 12.142 1.00 0.00 H new ATOM 0 HB2 ASP C 16 0.686 -0.860 12.300 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -0.122 -1.495 13.719 1.00 0.00 H new ATOM 891 N ASP C 17 -1.714 0.906 11.957 1.00 0.00 N ATOM 892 CA ASP C 17 -2.323 2.159 12.383 1.00 0.00 C ATOM 893 C ASP C 17 -3.777 2.218 11.940 1.00 0.00 C ATOM 894 O ASP C 17 -4.531 3.097 12.359 1.00 0.00 O ATOM 895 CB ASP C 17 -1.554 3.347 11.809 1.00 0.00 C ATOM 896 CG ASP C 17 -0.193 3.466 12.487 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.645 4.183 11.964 1.00 0.00 O ATOM 898 OD2 ASP C 17 -0.011 2.847 13.520 1.00 0.00 O ATOM 0 H ASP C 17 -0.995 1.008 11.240 1.00 0.00 H new ATOM 0 HA ASP C 17 -2.284 2.208 13.471 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.424 3.221 10.734 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.124 4.265 11.956 1.00 0.00 H new ATOM 903 N SER C 18 -4.163 1.283 11.081 1.00 0.00 N ATOM 904 CA SER C 18 -5.530 1.244 10.577 1.00 0.00 C ATOM 905 C SER C 18 -6.520 1.177 11.730 1.00 0.00 C ATOM 906 O SER C 18 -7.646 1.666 11.624 1.00 0.00 O ATOM 907 CB SER C 18 -5.720 0.025 9.672 1.00 0.00 C ATOM 908 OG SER C 18 -6.921 0.171 8.926 1.00 0.00 O ATOM 0 H SER C 18 -3.555 0.547 10.721 1.00 0.00 H new ATOM 0 HA SER C 18 -5.712 2.154 10.005 1.00 0.00 H new ATOM 0 HB2 SER C 18 -4.870 -0.076 8.997 1.00 0.00 H new ATOM 0 HB3 SER C 18 -5.760 -0.884 10.272 1.00 0.00 H new ATOM 0 HG SER C 18 -7.212 -0.706 8.599 1.00 0.00 H new ATOM 914 N SER C 19 -6.095 0.576 12.824 1.00 0.00 N ATOM 915 CA SER C 19 -6.958 0.455 14.002 1.00 0.00 C ATOM 916 C SER C 19 -6.961 1.746 14.813 1.00 0.00 C ATOM 917 O SER C 19 -7.788 1.933 15.706 1.00 0.00 O ATOM 918 CB SER C 19 -6.484 -0.699 14.887 1.00 0.00 C ATOM 919 OG SER C 19 -5.232 -0.359 15.467 1.00 0.00 O ATOM 0 H SER C 19 -5.168 0.165 12.930 1.00 0.00 H new ATOM 0 HA SER C 19 -7.972 0.257 13.655 1.00 0.00 H new ATOM 0 HB2 SER C 19 -7.218 -0.899 15.668 1.00 0.00 H new ATOM 0 HB3 SER C 19 -6.389 -1.611 14.297 1.00 0.00 H new ATOM 0 HG SER C 19 -4.535 -0.385 14.779 1.00 0.00 H new ATOM 925 N SER C 20 -6.037 2.629 14.488 1.00 0.00 N ATOM 926 CA SER C 20 -5.929 3.914 15.177 1.00 0.00 C ATOM 927 C SER C 20 -6.957 4.908 14.644 1.00 0.00 C ATOM 928 O SER C 20 -7.351 4.844 13.480 1.00 0.00 O ATOM 929 CB SER C 20 -4.525 4.494 15.005 1.00 0.00 C ATOM 930 OG SER C 20 -3.563 3.497 15.320 1.00 0.00 O ATOM 0 H SER C 20 -5.346 2.486 13.751 1.00 0.00 H new ATOM 0 HA SER C 20 -6.123 3.742 16.236 1.00 0.00 H new ATOM 0 HB2 SER C 20 -4.385 4.840 13.981 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.395 5.360 15.655 1.00 0.00 H new ATOM 0 HG SER C 20 -2.662 3.865 15.209 1.00 0.00 H new