USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 455 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 42 GLN :FLIP amide:sc= -0.523 F(o=-12,f=-10) USER MOD Set 1.2: A 43 HIS : no HE2:sc= -9.71! C(o=-10!,f=-13!) USER MOD Single : A 8 SER OG : rot -36:sc= 0.152 USER MOD Single : A 11 THR OG1 : rot 72:sc= -0.654! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -146:sc= -5.96! (180deg=-7.07!) USER MOD Single : A 16 LYS NZ :NH3+ -113:sc= -3.19! (180deg=-6.02!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.93 F(o=-4.8!,f=-1.9) USER MOD Single : A 23 ASN : amide:sc= -2.9! C(o=-2.9!,f=-7.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 31 GLN : amide:sc= -8.27! C(o=-8.3!,f=-8.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 75:sc= 0.721 USER MOD Single : A 38 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 40 TYR OH : rot 177:sc= -4.97! USER MOD Single : A 45 THR OG1 : rot 90:sc= -0.54 USER MOD Single : A 48 ASN :FLIP amide:sc= -6.59! C(o=-10!,f=-6.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -4.113 8.334 -9.140 1.00 0.00 N ATOM 2 CA PRO A 1 -4.291 9.712 -8.586 1.00 0.00 C ATOM 3 C PRO A 1 -3.878 9.734 -7.113 1.00 0.00 C ATOM 4 O PRO A 1 -4.706 9.728 -6.225 1.00 0.00 O ATOM 5 CB PRO A 1 -5.765 10.100 -8.713 1.00 0.00 C ATOM 6 CG PRO A 1 -6.491 8.934 -9.361 1.00 0.00 C ATOM 7 CD PRO A 1 -5.447 7.796 -9.545 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.685 7.726 -8.441 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.484 8.355 -9.942 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.670 10.418 -9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -6.189 10.319 -7.733 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -5.873 11.002 -9.316 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -7.320 8.600 -8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -6.914 9.229 -10.321 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -5.712 6.932 -8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -5.425 7.461 -10.582 1.00 0.00 H new ATOM 17 N GLU A 2 -2.600 9.757 -6.847 1.00 0.00 N ATOM 18 CA GLU A 2 -2.133 9.778 -5.432 1.00 0.00 C ATOM 19 C GLU A 2 -2.609 8.511 -4.720 1.00 0.00 C ATOM 20 O GLU A 2 -3.733 8.079 -4.880 1.00 0.00 O ATOM 21 CB GLU A 2 -2.703 11.007 -4.722 1.00 0.00 C ATOM 22 CG GLU A 2 -1.833 12.227 -5.035 1.00 0.00 C ATOM 23 CD GLU A 2 -0.509 12.117 -4.276 1.00 0.00 C ATOM 24 OE1 GLU A 2 -0.484 12.480 -3.111 1.00 0.00 O ATOM 25 OE2 GLU A 2 0.457 11.672 -4.872 1.00 0.00 O ATOM 0 H GLU A 2 -1.860 9.762 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.044 9.821 -5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.728 11.185 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.735 10.836 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.646 12.288 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.353 13.141 -4.749 1.00 0.00 H new ATOM 32 N PHE A 3 -1.754 7.909 -3.944 1.00 0.00 N ATOM 33 CA PHE A 3 -2.136 6.666 -3.223 1.00 0.00 C ATOM 34 C PHE A 3 -1.365 6.624 -1.914 1.00 0.00 C ATOM 35 O PHE A 3 -0.242 7.054 -1.843 1.00 0.00 O ATOM 36 CB PHE A 3 -1.798 5.463 -4.132 1.00 0.00 C ATOM 37 CG PHE A 3 -1.263 4.287 -3.388 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.029 4.386 -2.772 1.00 0.00 C ATOM 39 CD2 PHE A 3 -1.976 3.087 -3.356 1.00 0.00 C ATOM 40 CE1 PHE A 3 0.501 3.293 -2.108 1.00 0.00 C ATOM 41 CE2 PHE A 3 -1.447 1.990 -2.692 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.215 2.088 -2.062 1.00 0.00 C ATOM 0 H PHE A 3 -0.800 8.228 -3.777 1.00 0.00 H new ATOM 0 HA PHE A 3 -3.201 6.634 -2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.696 5.163 -4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.066 5.775 -4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.521 5.315 -2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -2.935 3.013 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.465 3.368 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.994 1.059 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.192 1.237 -1.536 1.00 0.00 H new ATOM 52 N LEU A 4 -1.962 6.119 -0.883 1.00 0.00 N ATOM 53 CA LEU A 4 -1.252 6.057 0.430 1.00 0.00 C ATOM 54 C LEU A 4 0.207 5.628 0.230 1.00 0.00 C ATOM 55 O LEU A 4 0.530 4.456 0.240 1.00 0.00 O ATOM 56 CB LEU A 4 -1.933 5.066 1.407 1.00 0.00 C ATOM 57 CG LEU A 4 -2.727 3.966 0.705 1.00 0.00 C ATOM 58 CD1 LEU A 4 -2.178 3.636 -0.651 1.00 0.00 C ATOM 59 CD2 LEU A 4 -2.598 2.715 1.531 1.00 0.00 C ATOM 0 H LEU A 4 -2.911 5.744 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.293 7.057 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.171 4.607 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.600 5.620 2.067 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.753 4.316 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.779 2.849 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.207 4.525 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.147 3.295 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.155 1.907 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.547 2.436 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.998 2.895 2.529 1.00 0.00 H new ATOM 71 N GLU A 5 1.104 6.571 0.089 1.00 0.00 N ATOM 72 CA GLU A 5 2.541 6.219 -0.067 1.00 0.00 C ATOM 73 C GLU A 5 3.089 5.817 1.314 1.00 0.00 C ATOM 74 O GLU A 5 4.263 5.558 1.482 1.00 0.00 O ATOM 75 CB GLU A 5 3.300 7.437 -0.601 1.00 0.00 C ATOM 76 CG GLU A 5 2.612 7.967 -1.870 1.00 0.00 C ATOM 77 CD GLU A 5 2.448 9.485 -1.767 1.00 0.00 C ATOM 78 OE1 GLU A 5 1.449 9.916 -1.214 1.00 0.00 O ATOM 79 OE2 GLU A 5 3.322 10.190 -2.242 1.00 0.00 O ATOM 0 H GLU A 5 0.899 7.570 0.076 1.00 0.00 H new ATOM 0 HA GLU A 5 2.663 5.393 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.333 8.218 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.332 7.165 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.203 7.714 -2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.638 7.493 -1.993 1.00 0.00 H new ATOM 86 N ASP A 6 2.233 5.762 2.306 1.00 0.00 N ATOM 87 CA ASP A 6 2.662 5.374 3.674 1.00 0.00 C ATOM 88 C ASP A 6 1.434 4.881 4.439 1.00 0.00 C ATOM 89 O ASP A 6 0.830 5.627 5.183 1.00 0.00 O ATOM 90 CB ASP A 6 3.262 6.584 4.391 1.00 0.00 C ATOM 91 CG ASP A 6 4.787 6.466 4.404 1.00 0.00 C ATOM 92 OD1 ASP A 6 5.370 6.450 3.332 1.00 0.00 O ATOM 93 OD2 ASP A 6 5.347 6.393 5.485 1.00 0.00 O ATOM 0 H ASP A 6 1.239 5.975 2.217 1.00 0.00 H new ATOM 0 HA ASP A 6 3.415 4.588 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.962 7.503 3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.882 6.640 5.411 1.00 0.00 H new ATOM 98 N PRO A 7 1.099 3.632 4.222 1.00 0.00 N ATOM 99 CA PRO A 7 -0.057 2.994 4.869 1.00 0.00 C ATOM 100 C PRO A 7 0.297 2.606 6.309 1.00 0.00 C ATOM 101 O PRO A 7 0.383 1.441 6.641 1.00 0.00 O ATOM 102 CB PRO A 7 -0.304 1.736 4.026 1.00 0.00 C ATOM 103 CG PRO A 7 1.022 1.434 3.301 1.00 0.00 C ATOM 104 CD PRO A 7 1.847 2.741 3.313 1.00 0.00 C ATOM 0 HA PRO A 7 -0.930 3.645 4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.602 0.898 4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.110 1.899 3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.563 0.631 3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.837 1.103 2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.862 2.568 3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.930 3.169 2.314 1.00 0.00 H new ATOM 112 N SER A 8 0.510 3.567 7.162 1.00 0.00 N ATOM 113 CA SER A 8 0.869 3.235 8.570 1.00 0.00 C ATOM 114 C SER A 8 -0.348 3.386 9.497 1.00 0.00 C ATOM 115 O SER A 8 -0.255 3.142 10.683 1.00 0.00 O ATOM 116 CB SER A 8 1.982 4.171 9.042 1.00 0.00 C ATOM 117 OG SER A 8 2.607 3.621 10.192 1.00 0.00 O ATOM 0 H SER A 8 0.452 4.563 6.948 1.00 0.00 H new ATOM 0 HA SER A 8 1.207 2.199 8.607 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.716 4.311 8.248 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.572 5.154 9.273 1.00 0.00 H new ATOM 0 HG SER A 8 1.935 3.172 10.747 1.00 0.00 H new ATOM 123 N VAL A 9 -1.489 3.781 8.987 1.00 0.00 N ATOM 124 CA VAL A 9 -2.676 3.928 9.886 1.00 0.00 C ATOM 125 C VAL A 9 -3.835 3.050 9.388 1.00 0.00 C ATOM 126 O VAL A 9 -4.470 2.359 10.161 1.00 0.00 O ATOM 127 CB VAL A 9 -3.091 5.412 9.974 1.00 0.00 C ATOM 128 CG1 VAL A 9 -1.854 6.294 9.796 1.00 0.00 C ATOM 129 CG2 VAL A 9 -4.120 5.771 8.897 1.00 0.00 C ATOM 0 H VAL A 9 -1.649 4.005 8.005 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.411 3.591 10.888 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.544 5.580 10.951 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.143 7.343 9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.132 6.070 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.404 6.098 8.823 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.390 6.823 8.988 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.693 5.590 7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.010 5.156 9.025 1.00 0.00 H new ATOM 139 N LEU A 10 -4.112 3.054 8.112 1.00 0.00 N ATOM 140 CA LEU A 10 -5.229 2.199 7.589 1.00 0.00 C ATOM 141 C LEU A 10 -5.123 0.788 8.178 1.00 0.00 C ATOM 142 O LEU A 10 -5.730 0.510 9.191 1.00 0.00 O ATOM 143 CB LEU A 10 -5.234 2.148 6.028 1.00 0.00 C ATOM 144 CG LEU A 10 -3.878 2.638 5.470 1.00 0.00 C ATOM 145 CD1 LEU A 10 -2.702 1.972 6.191 1.00 0.00 C ATOM 146 CD2 LEU A 10 -3.769 2.320 3.988 1.00 0.00 C ATOM 0 H LEU A 10 -3.620 3.606 7.410 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.173 2.646 7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.427 1.129 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.041 2.770 5.640 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.836 3.715 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.764 2.339 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.744 2.211 7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.759 0.892 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.809 2.671 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.845 1.243 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.575 2.818 3.449 1.00 0.00 H new ATOM 158 N THR A 11 -4.408 -0.116 7.543 1.00 0.00 N ATOM 159 CA THR A 11 -4.326 -1.512 8.031 1.00 0.00 C ATOM 160 C THR A 11 -3.968 -2.379 6.834 1.00 0.00 C ATOM 161 O THR A 11 -3.758 -1.879 5.747 1.00 0.00 O ATOM 162 CB THR A 11 -5.713 -1.917 8.515 1.00 0.00 C ATOM 163 OG1 THR A 11 -5.830 -3.329 8.571 1.00 0.00 O ATOM 164 CG2 THR A 11 -6.749 -1.345 7.535 1.00 0.00 C ATOM 0 H THR A 11 -3.873 0.069 6.694 1.00 0.00 H new ATOM 0 HA THR A 11 -3.594 -1.619 8.832 1.00 0.00 H new ATOM 0 HB THR A 11 -5.881 -1.525 9.518 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.300 -3.672 9.321 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.751 -1.623 7.862 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.664 -0.259 7.509 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.568 -1.747 6.538 1.00 0.00 H new ATOM 172 N LYS A 12 -3.938 -3.664 6.992 1.00 0.00 N ATOM 173 CA LYS A 12 -3.644 -4.516 5.812 1.00 0.00 C ATOM 174 C LYS A 12 -4.972 -4.812 5.100 1.00 0.00 C ATOM 175 O LYS A 12 -5.074 -5.729 4.310 1.00 0.00 O ATOM 176 CB LYS A 12 -2.998 -5.838 6.252 1.00 0.00 C ATOM 177 CG LYS A 12 -1.545 -5.920 5.760 1.00 0.00 C ATOM 178 CD LYS A 12 -0.605 -5.654 6.938 1.00 0.00 C ATOM 179 CE LYS A 12 -0.712 -6.797 7.952 1.00 0.00 C ATOM 180 NZ LYS A 12 -0.381 -6.285 9.312 1.00 0.00 N ATOM 0 H LYS A 12 -4.101 -4.158 7.869 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.952 -3.999 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.025 -5.918 7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.570 -6.678 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.346 -6.904 5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.373 -5.190 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.422 -5.565 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.861 -4.708 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.720 -7.213 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.032 -7.604 7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.453 -7.060 10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.588 -5.908 9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.047 -5.529 9.570 1.00 0.00 H new ATOM 194 N ASP A 13 -5.998 -4.051 5.399 1.00 0.00 N ATOM 195 CA ASP A 13 -7.332 -4.289 4.777 1.00 0.00 C ATOM 196 C ASP A 13 -7.747 -3.109 3.877 1.00 0.00 C ATOM 197 O ASP A 13 -8.437 -3.294 2.895 1.00 0.00 O ATOM 198 CB ASP A 13 -8.372 -4.454 5.889 1.00 0.00 C ATOM 199 CG ASP A 13 -9.099 -5.788 5.716 1.00 0.00 C ATOM 200 OD1 ASP A 13 -9.363 -6.155 4.582 1.00 0.00 O ATOM 201 OD2 ASP A 13 -9.379 -6.422 6.720 1.00 0.00 O ATOM 0 H ASP A 13 -5.964 -3.269 6.053 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.273 -5.187 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.886 -4.417 6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.087 -3.632 5.857 1.00 0.00 H new ATOM 206 N LYS A 14 -7.351 -1.899 4.193 1.00 0.00 N ATOM 207 CA LYS A 14 -7.753 -0.746 3.340 1.00 0.00 C ATOM 208 C LYS A 14 -6.782 -0.630 2.172 1.00 0.00 C ATOM 209 O LYS A 14 -7.176 -0.601 1.023 1.00 0.00 O ATOM 210 CB LYS A 14 -7.711 0.526 4.178 1.00 0.00 C ATOM 211 CG LYS A 14 -8.403 1.690 3.447 1.00 0.00 C ATOM 212 CD LYS A 14 -7.742 1.986 2.088 1.00 0.00 C ATOM 213 CE LYS A 14 -6.237 2.120 2.270 1.00 0.00 C ATOM 214 NZ LYS A 14 -5.928 3.509 2.713 1.00 0.00 N ATOM 0 H LYS A 14 -6.771 -1.665 4.999 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.762 -0.894 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.200 0.351 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.676 0.791 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.455 1.449 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.367 2.583 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.963 1.185 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.151 2.904 1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.881 1.401 3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.723 1.899 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.015 3.806 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.676 4.153 2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.877 3.539 3.751 1.00 0.00 H new ATOM 228 N LEU A 15 -5.512 -0.559 2.464 1.00 0.00 N ATOM 229 CA LEU A 15 -4.489 -0.435 1.379 1.00 0.00 C ATOM 230 C LEU A 15 -4.881 -1.322 0.198 1.00 0.00 C ATOM 231 O LEU A 15 -4.493 -1.077 -0.923 1.00 0.00 O ATOM 232 CB LEU A 15 -3.091 -0.852 1.872 1.00 0.00 C ATOM 233 CG LEU A 15 -3.157 -1.443 3.275 1.00 0.00 C ATOM 234 CD1 LEU A 15 -4.090 -2.645 3.285 1.00 0.00 C ATOM 235 CD2 LEU A 15 -1.762 -1.886 3.684 1.00 0.00 C ATOM 0 H LEU A 15 -5.134 -0.581 3.411 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.453 0.611 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.663 -1.583 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.428 0.013 1.869 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.533 -0.694 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.133 -3.064 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.088 -2.333 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.717 -3.401 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.795 -2.311 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.399 -2.637 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.091 -1.027 3.676 1.00 0.00 H new ATOM 247 N LYS A 16 -5.658 -2.342 0.437 1.00 0.00 N ATOM 248 CA LYS A 16 -6.079 -3.225 -0.657 1.00 0.00 C ATOM 249 C LYS A 16 -7.249 -2.576 -1.385 1.00 0.00 C ATOM 250 O LYS A 16 -7.225 -2.391 -2.586 1.00 0.00 O ATOM 251 CB LYS A 16 -6.533 -4.557 -0.072 1.00 0.00 C ATOM 252 CG LYS A 16 -5.824 -4.876 1.229 1.00 0.00 C ATOM 253 CD LYS A 16 -6.322 -6.251 1.703 1.00 0.00 C ATOM 254 CE LYS A 16 -7.800 -6.210 2.143 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.677 -6.213 0.939 1.00 0.00 N ATOM 0 H LYS A 16 -6.017 -2.594 1.358 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.252 -3.388 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.609 -4.530 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.344 -5.353 -0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.744 -4.889 1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.036 -4.113 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.203 -6.977 0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.706 -6.593 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.027 -7.070 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.988 -5.318 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.171 -5.301 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.098 -6.361 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.376 -6.979 1.020 1.00 0.00 H new ATOM 269 N SER A 17 -8.267 -2.211 -0.656 1.00 0.00 N ATOM 270 CA SER A 17 -9.441 -1.548 -1.286 1.00 0.00 C ATOM 271 C SER A 17 -8.935 -0.513 -2.286 1.00 0.00 C ATOM 272 O SER A 17 -9.598 -0.174 -3.245 1.00 0.00 O ATOM 273 CB SER A 17 -10.270 -0.857 -0.211 1.00 0.00 C ATOM 274 OG SER A 17 -11.385 -1.669 0.127 1.00 0.00 O ATOM 0 H SER A 17 -8.336 -2.344 0.353 1.00 0.00 H new ATOM 0 HA SER A 17 -10.061 -2.286 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.659 -0.675 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.610 0.115 -0.569 1.00 0.00 H new ATOM 0 HG SER A 17 -11.916 -1.224 0.820 1.00 0.00 H new ATOM 280 N GLU A 18 -7.751 -0.018 -2.060 1.00 0.00 N ATOM 281 CA GLU A 18 -7.163 0.989 -2.978 1.00 0.00 C ATOM 282 C GLU A 18 -6.414 0.255 -4.099 1.00 0.00 C ATOM 283 O GLU A 18 -6.760 0.379 -5.256 1.00 0.00 O ATOM 284 CB GLU A 18 -6.202 1.888 -2.191 1.00 0.00 C ATOM 285 CG GLU A 18 -6.702 2.041 -0.737 1.00 0.00 C ATOM 286 CD GLU A 18 -8.213 2.286 -0.738 1.00 0.00 C ATOM 287 OE1 GLU A 18 -8.613 3.400 -1.031 1.00 0.00 O ATOM 288 OE2 GLU A 18 -8.944 1.354 -0.447 1.00 0.00 O ATOM 0 H GLU A 18 -7.161 -0.273 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.945 1.610 -3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.200 1.459 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.133 2.866 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.469 1.143 -0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.189 2.871 -0.250 1.00 0.00 H new ATOM 295 N LEU A 19 -5.393 -0.506 -3.760 1.00 0.00 N ATOM 296 CA LEU A 19 -4.617 -1.261 -4.797 1.00 0.00 C ATOM 297 C LEU A 19 -5.542 -1.685 -5.944 1.00 0.00 C ATOM 298 O LEU A 19 -5.161 -1.671 -7.098 1.00 0.00 O ATOM 299 CB LEU A 19 -3.993 -2.515 -4.165 1.00 0.00 C ATOM 300 CG LEU A 19 -2.668 -2.154 -3.519 1.00 0.00 C ATOM 301 CD1 LEU A 19 -2.577 -2.785 -2.135 1.00 0.00 C ATOM 302 CD2 LEU A 19 -1.560 -2.724 -4.373 1.00 0.00 C ATOM 0 H LEU A 19 -5.065 -0.635 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.831 -0.614 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.670 -2.934 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.842 -3.281 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.584 -1.071 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.623 -2.522 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.392 -2.416 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.650 -3.869 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.595 -2.478 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.667 -3.807 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.618 -2.299 -5.375 1.00 0.00 H new ATOM 314 N VAL A 20 -6.755 -2.054 -5.636 1.00 0.00 N ATOM 315 CA VAL A 20 -7.705 -2.468 -6.708 1.00 0.00 C ATOM 316 C VAL A 20 -8.094 -1.241 -7.533 1.00 0.00 C ATOM 317 O VAL A 20 -7.976 -1.224 -8.742 1.00 0.00 O ATOM 318 CB VAL A 20 -8.959 -3.071 -6.067 1.00 0.00 C ATOM 319 CG1 VAL A 20 -10.075 -3.170 -7.110 1.00 0.00 C ATOM 320 CG2 VAL A 20 -8.636 -4.465 -5.535 1.00 0.00 C ATOM 0 H VAL A 20 -7.130 -2.087 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.234 -3.209 -7.354 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.288 -2.433 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.965 -3.599 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.307 -2.175 -7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.749 -3.806 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.527 -4.896 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.306 -5.101 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.844 -4.395 -4.789 1.00 0.00 H new ATOM 330 N ALA A 21 -8.558 -0.215 -6.878 1.00 0.00 N ATOM 331 CA ALA A 21 -8.961 1.025 -7.599 1.00 0.00 C ATOM 332 C ALA A 21 -7.764 1.605 -8.353 1.00 0.00 C ATOM 333 O ALA A 21 -7.905 2.500 -9.163 1.00 0.00 O ATOM 334 CB ALA A 21 -9.441 2.052 -6.576 1.00 0.00 C ATOM 0 H ALA A 21 -8.677 -0.181 -5.865 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.754 0.789 -8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.739 2.966 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.293 1.649 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.634 2.275 -5.878 1.00 0.00 H new ATOM 340 N ASN A 22 -6.584 1.129 -8.074 1.00 0.00 N ATOM 341 CA ASN A 22 -5.381 1.681 -8.751 1.00 0.00 C ATOM 342 C ASN A 22 -4.916 0.743 -9.872 1.00 0.00 C ATOM 343 O ASN A 22 -5.256 0.936 -11.022 1.00 0.00 O ATOM 344 CB ASN A 22 -4.294 1.875 -7.688 1.00 0.00 C ATOM 345 CG ASN A 22 -4.919 2.710 -6.559 1.00 0.00 C ATOM 346 OD1 ASN A 22 -5.013 2.229 -5.344 1.00 0.00 O flip ATOM 347 ND2 ASN A 22 -5.334 3.829 -6.789 1.00 0.00 N flip ATOM 0 H ASN A 22 -6.401 0.381 -7.405 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.608 2.639 -9.219 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.947 0.913 -7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.427 2.383 -8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.266 4.214 -7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.750 4.383 -6.040 1.00 0.00 H new ATOM 354 N ASN A 23 -4.144 -0.267 -9.569 1.00 0.00 N ATOM 355 CA ASN A 23 -3.686 -1.181 -10.657 1.00 0.00 C ATOM 356 C ASN A 23 -2.947 -2.385 -10.069 1.00 0.00 C ATOM 357 O ASN A 23 -1.834 -2.687 -10.454 1.00 0.00 O ATOM 358 CB ASN A 23 -2.748 -0.417 -11.592 1.00 0.00 C ATOM 359 CG ASN A 23 -1.543 0.095 -10.800 1.00 0.00 C ATOM 360 OD1 ASN A 23 -1.083 -0.554 -9.881 1.00 0.00 O ATOM 361 ND2 ASN A 23 -1.010 1.243 -11.115 1.00 0.00 N ATOM 0 H ASN A 23 -3.815 -0.497 -8.631 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.555 -1.539 -11.209 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.415 -1.067 -12.401 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.276 0.419 -12.051 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.209 1.594 -10.591 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.394 1.789 -11.886 1.00 0.00 H new ATOM 368 N VAL A 24 -3.554 -3.079 -9.147 1.00 0.00 N ATOM 369 CA VAL A 24 -2.883 -4.262 -8.542 1.00 0.00 C ATOM 370 C VAL A 24 -3.930 -5.336 -8.234 1.00 0.00 C ATOM 371 O VAL A 24 -5.017 -5.036 -7.781 1.00 0.00 O ATOM 372 CB VAL A 24 -2.196 -3.834 -7.246 1.00 0.00 C ATOM 373 CG1 VAL A 24 -1.226 -4.926 -6.792 1.00 0.00 C ATOM 374 CG2 VAL A 24 -1.422 -2.537 -7.486 1.00 0.00 C ATOM 0 H VAL A 24 -4.487 -2.877 -8.786 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.144 -4.665 -9.235 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.949 -3.675 -6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.738 -4.618 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.775 -5.852 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.473 -5.088 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.931 -2.230 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.671 -2.699 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.111 -1.756 -7.807 1.00 0.00 H new ATOM 384 N THR A 25 -3.619 -6.583 -8.469 1.00 0.00 N ATOM 385 CA THR A 25 -4.605 -7.651 -8.179 1.00 0.00 C ATOM 386 C THR A 25 -4.601 -7.943 -6.682 1.00 0.00 C ATOM 387 O THR A 25 -3.671 -7.613 -5.974 1.00 0.00 O ATOM 388 CB THR A 25 -4.238 -8.919 -8.936 1.00 0.00 C ATOM 389 OG1 THR A 25 -2.945 -8.780 -9.507 1.00 0.00 O ATOM 390 CG2 THR A 25 -5.266 -9.175 -10.040 1.00 0.00 C ATOM 0 H THR A 25 -2.727 -6.902 -8.848 1.00 0.00 H new ATOM 0 HA THR A 25 -5.595 -7.320 -8.493 1.00 0.00 H new ATOM 0 HB THR A 25 -4.235 -9.762 -8.245 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.712 -9.599 -9.992 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.001 -10.084 -10.581 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.255 -9.292 -9.596 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.276 -8.332 -10.731 1.00 0.00 H new ATOM 398 N LEU A 26 -5.643 -8.553 -6.193 1.00 0.00 N ATOM 399 CA LEU A 26 -5.720 -8.862 -4.733 1.00 0.00 C ATOM 400 C LEU A 26 -5.732 -10.386 -4.549 1.00 0.00 C ATOM 401 O LEU A 26 -6.726 -11.025 -4.832 1.00 0.00 O ATOM 402 CB LEU A 26 -7.023 -8.288 -4.137 1.00 0.00 C ATOM 403 CG LEU A 26 -7.203 -6.779 -4.374 1.00 0.00 C ATOM 404 CD1 LEU A 26 -7.337 -6.040 -3.039 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.053 -6.163 -5.163 1.00 0.00 C ATOM 0 H LEU A 26 -6.449 -8.853 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.862 -8.418 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.873 -8.818 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.037 -8.482 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.113 -6.669 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.464 -4.973 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.204 -6.420 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.439 -6.200 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.235 -5.097 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.120 -6.305 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.980 -6.646 -6.137 1.00 0.00 H new ATOM 417 N PRO A 27 -4.632 -10.934 -4.092 1.00 0.00 N ATOM 418 CA PRO A 27 -4.498 -12.377 -3.878 1.00 0.00 C ATOM 419 C PRO A 27 -4.932 -12.720 -2.447 1.00 0.00 C ATOM 420 O PRO A 27 -5.638 -11.962 -1.811 1.00 0.00 O ATOM 421 CB PRO A 27 -2.993 -12.615 -4.079 1.00 0.00 C ATOM 422 CG PRO A 27 -2.296 -11.248 -3.827 1.00 0.00 C ATOM 423 CD PRO A 27 -3.411 -10.185 -3.748 1.00 0.00 C ATOM 0 HA PRO A 27 -5.109 -12.990 -4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.624 -13.373 -3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.788 -12.976 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.720 -11.273 -2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.598 -11.016 -4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.477 -9.747 -2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.234 -9.366 -4.445 1.00 0.00 H new ATOM 431 N ALA A 28 -4.520 -13.845 -1.933 1.00 0.00 N ATOM 432 CA ALA A 28 -4.922 -14.212 -0.541 1.00 0.00 C ATOM 433 C ALA A 28 -6.415 -13.932 -0.354 1.00 0.00 C ATOM 434 O ALA A 28 -7.132 -13.673 -1.300 1.00 0.00 O ATOM 435 CB ALA A 28 -4.122 -13.371 0.462 1.00 0.00 C ATOM 0 H ALA A 28 -3.927 -14.524 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.722 -15.270 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.415 -13.639 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.057 -13.562 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.324 -12.313 0.293 1.00 0.00 H new ATOM 441 N GLY A 29 -6.887 -13.968 0.862 1.00 0.00 N ATOM 442 CA GLY A 29 -8.332 -13.686 1.113 1.00 0.00 C ATOM 443 C GLY A 29 -8.442 -12.394 1.922 1.00 0.00 C ATOM 444 O GLY A 29 -9.206 -11.507 1.600 1.00 0.00 O ATOM 0 H GLY A 29 -6.336 -14.180 1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.868 -13.588 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.790 -14.513 1.656 1.00 0.00 H new ATOM 448 N GLU A 30 -7.665 -12.280 2.962 1.00 0.00 N ATOM 449 CA GLU A 30 -7.694 -11.044 3.793 1.00 0.00 C ATOM 450 C GLU A 30 -6.279 -10.468 3.852 1.00 0.00 C ATOM 451 O GLU A 30 -6.080 -9.270 3.834 1.00 0.00 O ATOM 452 CB GLU A 30 -8.169 -11.386 5.207 1.00 0.00 C ATOM 453 CG GLU A 30 -9.234 -10.377 5.643 1.00 0.00 C ATOM 454 CD GLU A 30 -10.309 -11.092 6.464 1.00 0.00 C ATOM 455 OE1 GLU A 30 -9.987 -11.567 7.541 1.00 0.00 O ATOM 456 OE2 GLU A 30 -11.436 -11.153 6.001 1.00 0.00 O ATOM 0 H GLU A 30 -7.007 -12.994 3.274 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.378 -10.315 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.578 -12.396 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.328 -11.366 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.778 -9.583 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.683 -9.905 4.769 1.00 0.00 H new ATOM 463 N GLN A 31 -5.294 -11.325 3.915 1.00 0.00 N ATOM 464 CA GLN A 31 -3.881 -10.858 3.963 1.00 0.00 C ATOM 465 C GLN A 31 -2.976 -12.075 4.066 1.00 0.00 C ATOM 466 O GLN A 31 -3.041 -12.846 5.004 1.00 0.00 O ATOM 467 CB GLN A 31 -3.683 -9.932 5.178 1.00 0.00 C ATOM 468 CG GLN A 31 -2.224 -9.499 5.348 1.00 0.00 C ATOM 469 CD GLN A 31 -1.669 -10.154 6.617 1.00 0.00 C ATOM 470 OE1 GLN A 31 -1.585 -9.522 7.651 1.00 0.00 O ATOM 471 NE2 GLN A 31 -1.285 -11.397 6.585 1.00 0.00 N ATOM 0 H GLN A 31 -5.412 -12.338 3.935 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.635 -10.297 3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.311 -9.048 5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.015 -10.445 6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.637 -9.797 4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.157 -8.414 5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.354 -11.930 5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.915 -11.838 7.427 1.00 0.00 H new ATOM 480 N ARG A 32 -2.136 -12.248 3.097 1.00 0.00 N ATOM 481 CA ARG A 32 -1.213 -13.381 3.080 1.00 0.00 C ATOM 482 C ARG A 32 -0.201 -13.186 4.213 1.00 0.00 C ATOM 483 O ARG A 32 0.045 -14.068 5.011 1.00 0.00 O ATOM 484 CB ARG A 32 -0.523 -13.321 1.718 1.00 0.00 C ATOM 485 CG ARG A 32 -1.137 -14.317 0.729 1.00 0.00 C ATOM 486 CD ARG A 32 -1.079 -13.724 -0.690 1.00 0.00 C ATOM 487 NE ARG A 32 0.341 -13.644 -1.134 1.00 0.00 N ATOM 488 CZ ARG A 32 0.712 -14.223 -2.244 1.00 0.00 C ATOM 489 NH1 ARG A 32 0.288 -15.425 -2.526 1.00 0.00 N ATOM 490 NH2 ARG A 32 1.506 -13.599 -3.072 1.00 0.00 N ATOM 0 H ARG A 32 -2.055 -11.625 2.293 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.704 -14.343 3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.601 -12.312 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.539 -13.535 1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.595 -15.262 0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.170 -14.531 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.653 -14.344 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.532 -12.732 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 32 1.024 -13.137 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.333 -15.912 -1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.578 -15.878 -3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.836 -12.659 -2.852 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.796 -14.051 -3.939 1.00 0.00 H new ATOM 504 N LYS A 33 0.366 -12.014 4.286 1.00 0.00 N ATOM 505 CA LYS A 33 1.351 -11.694 5.357 1.00 0.00 C ATOM 506 C LYS A 33 1.882 -10.289 5.085 1.00 0.00 C ATOM 507 O LYS A 33 2.908 -10.132 4.452 1.00 0.00 O ATOM 508 CB LYS A 33 2.504 -12.701 5.319 1.00 0.00 C ATOM 509 CG LYS A 33 3.455 -12.431 6.487 1.00 0.00 C ATOM 510 CD LYS A 33 4.686 -11.678 5.978 1.00 0.00 C ATOM 511 CE LYS A 33 5.941 -12.246 6.642 1.00 0.00 C ATOM 512 NZ LYS A 33 6.933 -12.620 5.595 1.00 0.00 N ATOM 0 H LYS A 33 0.184 -11.250 3.635 1.00 0.00 H new ATOM 0 HA LYS A 33 0.882 -11.745 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.115 -13.718 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.040 -12.621 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.949 -11.845 7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.756 -13.371 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.761 -11.772 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.593 -10.615 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.372 -11.509 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.684 -13.119 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.786 -13.006 6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.520 -13.338 4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.186 -11.778 5.040 1.00 0.00 H new ATOM 526 N ASP A 34 1.194 -9.254 5.501 1.00 0.00 N ATOM 527 CA ASP A 34 1.709 -7.895 5.171 1.00 0.00 C ATOM 528 C ASP A 34 1.939 -7.881 3.664 1.00 0.00 C ATOM 529 O ASP A 34 2.845 -7.250 3.163 1.00 0.00 O ATOM 530 CB ASP A 34 3.037 -7.651 5.902 1.00 0.00 C ATOM 531 CG ASP A 34 2.929 -6.379 6.745 1.00 0.00 C ATOM 532 OD1 ASP A 34 2.837 -5.312 6.162 1.00 0.00 O ATOM 533 OD2 ASP A 34 2.942 -6.495 7.960 1.00 0.00 O ATOM 0 H ASP A 34 0.327 -9.289 6.037 1.00 0.00 H new ATOM 0 HA ASP A 34 1.008 -7.117 5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.276 -8.503 6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.849 -7.554 5.181 1.00 0.00 H new ATOM 538 N VAL A 35 1.124 -8.612 2.943 1.00 0.00 N ATOM 539 CA VAL A 35 1.290 -8.683 1.474 1.00 0.00 C ATOM 540 C VAL A 35 0.602 -7.503 0.817 1.00 0.00 C ATOM 541 O VAL A 35 0.965 -7.111 -0.254 1.00 0.00 O ATOM 542 CB VAL A 35 0.711 -9.998 0.950 1.00 0.00 C ATOM 543 CG1 VAL A 35 0.669 -9.966 -0.577 1.00 0.00 C ATOM 544 CG2 VAL A 35 1.612 -11.130 1.442 1.00 0.00 C ATOM 0 H VAL A 35 0.351 -9.161 3.318 1.00 0.00 H new ATOM 0 HA VAL A 35 2.352 -8.646 1.231 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.306 -10.149 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.256 -10.904 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.042 -9.137 -0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.679 -9.834 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.225 -12.084 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.623 -10.982 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.632 -11.132 2.532 1.00 0.00 H new ATOM 554 N TYR A 36 -0.373 -6.919 1.444 1.00 0.00 N ATOM 555 CA TYR A 36 -1.037 -5.754 0.836 1.00 0.00 C ATOM 556 C TYR A 36 -0.187 -4.534 1.115 1.00 0.00 C ATOM 557 O TYR A 36 -0.065 -3.633 0.311 1.00 0.00 O ATOM 558 CB TYR A 36 -2.381 -5.584 1.496 1.00 0.00 C ATOM 559 CG TYR A 36 -3.287 -6.662 1.014 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.725 -6.666 -0.308 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.694 -7.651 1.896 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.579 -7.674 -0.748 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.542 -8.661 1.468 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.992 -8.680 0.140 1.00 0.00 C ATOM 565 OH TYR A 36 -5.839 -9.681 -0.291 1.00 0.00 O ATOM 0 H TYR A 36 -0.736 -7.203 2.354 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.163 -5.887 -0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.279 -5.632 2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.798 -4.605 1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.404 -5.891 -0.988 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.350 -7.635 2.919 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.923 -7.682 -1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.855 -9.432 2.156 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.340 -10.315 -0.847 1.00 0.00 H new ATOM 575 N VAL A 37 0.412 -4.519 2.263 1.00 0.00 N ATOM 576 CA VAL A 37 1.276 -3.388 2.638 1.00 0.00 C ATOM 577 C VAL A 37 2.551 -3.472 1.791 1.00 0.00 C ATOM 578 O VAL A 37 2.926 -2.538 1.107 1.00 0.00 O ATOM 579 CB VAL A 37 1.590 -3.509 4.134 1.00 0.00 C ATOM 580 CG1 VAL A 37 2.652 -2.479 4.526 1.00 0.00 C ATOM 581 CG2 VAL A 37 0.306 -3.257 4.935 1.00 0.00 C ATOM 0 H VAL A 37 0.336 -5.255 2.965 1.00 0.00 H new ATOM 0 HA VAL A 37 0.797 -2.426 2.458 1.00 0.00 H new ATOM 0 HB VAL A 37 1.969 -4.508 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.871 -2.569 5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.561 -2.657 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.281 -1.476 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.520 -3.341 6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.068 -2.257 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.447 -3.994 4.657 1.00 0.00 H new ATOM 591 N GLN A 38 3.202 -4.603 1.802 1.00 0.00 N ATOM 592 CA GLN A 38 4.423 -4.766 0.973 1.00 0.00 C ATOM 593 C GLN A 38 4.016 -4.646 -0.498 1.00 0.00 C ATOM 594 O GLN A 38 4.597 -3.896 -1.254 1.00 0.00 O ATOM 595 CB GLN A 38 5.016 -6.160 1.236 1.00 0.00 C ATOM 596 CG GLN A 38 6.508 -6.197 0.899 1.00 0.00 C ATOM 597 CD GLN A 38 6.944 -7.650 0.698 1.00 0.00 C ATOM 598 OE1 GLN A 38 7.703 -8.183 1.483 1.00 0.00 O ATOM 599 NE2 GLN A 38 6.493 -8.317 -0.329 1.00 0.00 N ATOM 0 H GLN A 38 2.938 -5.421 2.351 1.00 0.00 H new ATOM 0 HA GLN A 38 5.166 -4.007 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.870 -6.429 2.282 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.487 -6.902 0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.703 -5.618 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.086 -5.739 1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.856 -7.869 -0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.778 -9.286 -0.473 1.00 0.00 H new ATOM 608 N LEU A 39 3.001 -5.373 -0.893 1.00 0.00 N ATOM 609 CA LEU A 39 2.519 -5.297 -2.321 1.00 0.00 C ATOM 610 C LEU A 39 2.518 -3.832 -2.733 1.00 0.00 C ATOM 611 O LEU A 39 3.116 -3.437 -3.711 1.00 0.00 O ATOM 612 CB LEU A 39 1.072 -5.837 -2.450 1.00 0.00 C ATOM 613 CG LEU A 39 1.092 -7.285 -2.920 1.00 0.00 C ATOM 614 CD1 LEU A 39 -0.259 -7.935 -2.612 1.00 0.00 C ATOM 615 CD2 LEU A 39 1.313 -7.297 -4.431 1.00 0.00 C ATOM 0 H LEU A 39 2.482 -6.016 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 39 3.174 -5.898 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.562 -5.766 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.509 -5.226 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 39 1.886 -7.833 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.249 -8.972 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.442 -7.903 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.050 -7.394 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.331 -8.327 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.503 -6.757 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.263 -6.816 -4.664 1.00 0.00 H new ATOM 627 N TYR A 40 1.842 -3.034 -1.970 1.00 0.00 N ATOM 628 CA TYR A 40 1.755 -1.591 -2.250 1.00 0.00 C ATOM 629 C TYR A 40 3.143 -1.006 -2.543 1.00 0.00 C ATOM 630 O TYR A 40 3.340 -0.337 -3.531 1.00 0.00 O ATOM 631 CB TYR A 40 1.111 -0.950 -1.012 1.00 0.00 C ATOM 632 CG TYR A 40 1.956 0.169 -0.427 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.356 1.263 -1.209 1.00 0.00 C ATOM 634 CD2 TYR A 40 2.325 0.109 0.915 1.00 0.00 C ATOM 635 CE1 TYR A 40 3.118 2.290 -0.642 1.00 0.00 C ATOM 636 CE2 TYR A 40 3.083 1.137 1.478 1.00 0.00 C ATOM 637 CZ TYR A 40 3.476 2.228 0.702 1.00 0.00 C ATOM 638 OH TYR A 40 4.218 3.244 1.271 1.00 0.00 O ATOM 0 H TYR A 40 1.332 -3.335 -1.139 1.00 0.00 H new ATOM 0 HA TYR A 40 1.155 -1.391 -3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.130 -0.558 -1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.952 -1.715 -0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.075 1.312 -2.251 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.024 -0.733 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.428 3.130 -1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.367 1.088 2.519 1.00 0.00 H new ATOM 0 HH TYR A 40 4.338 3.066 2.227 1.00 0.00 H new ATOM 648 N LEU A 41 4.099 -1.216 -1.689 1.00 0.00 N ATOM 649 CA LEU A 41 5.437 -0.618 -1.954 1.00 0.00 C ATOM 650 C LEU A 41 6.058 -1.243 -3.214 1.00 0.00 C ATOM 651 O LEU A 41 6.903 -0.656 -3.856 1.00 0.00 O ATOM 652 CB LEU A 41 6.357 -0.856 -0.751 1.00 0.00 C ATOM 653 CG LEU A 41 5.646 -0.443 0.544 1.00 0.00 C ATOM 654 CD1 LEU A 41 6.166 -1.300 1.700 1.00 0.00 C ATOM 655 CD2 LEU A 41 5.921 1.037 0.843 1.00 0.00 C ATOM 0 H LEU A 41 4.019 -1.765 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 41 5.319 0.454 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.639 -1.908 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.278 -0.284 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 41 4.572 -0.591 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.663 -1.010 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.965 -2.351 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.240 -1.150 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.413 1.323 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.994 1.192 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.552 1.649 0.020 1.00 0.00 H new ATOM 667 N GLN A 42 5.660 -2.434 -3.563 1.00 0.00 N ATOM 668 CA GLN A 42 6.248 -3.104 -4.764 1.00 0.00 C ATOM 669 C GLN A 42 5.777 -2.444 -6.068 1.00 0.00 C ATOM 670 O GLN A 42 6.573 -2.004 -6.873 1.00 0.00 O ATOM 671 CB GLN A 42 5.820 -4.578 -4.769 1.00 0.00 C ATOM 672 CG GLN A 42 6.863 -5.440 -5.493 1.00 0.00 C ATOM 673 CD GLN A 42 6.249 -6.803 -5.824 1.00 0.00 C ATOM 674 OE1 GLN A 42 5.545 -6.940 -6.915 1.00 0.00 O flip ATOM 675 NE2 GLN A 42 6.410 -7.750 -5.082 1.00 0.00 N flip ATOM 0 H GLN A 42 4.951 -2.977 -3.069 1.00 0.00 H new ATOM 0 HA GLN A 42 7.333 -3.013 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.697 -4.930 -3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.852 -4.680 -5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.191 -4.944 -6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.745 -5.568 -4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.960 -7.642 -4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.995 -8.653 -5.311 1.00 0.00 H new ATOM 684 N HIS A 43 4.493 -2.400 -6.298 1.00 0.00 N ATOM 685 CA HIS A 43 3.971 -1.805 -7.566 1.00 0.00 C ATOM 686 C HIS A 43 3.716 -0.320 -7.383 1.00 0.00 C ATOM 687 O HIS A 43 3.901 0.474 -8.285 1.00 0.00 O ATOM 688 CB HIS A 43 2.635 -2.457 -7.913 1.00 0.00 C ATOM 689 CG HIS A 43 2.635 -3.882 -7.455 1.00 0.00 C ATOM 690 ND1 HIS A 43 2.976 -4.938 -8.284 1.00 0.00 N ATOM 691 CD2 HIS A 43 2.338 -4.432 -6.243 1.00 0.00 C ATOM 692 CE1 HIS A 43 2.874 -6.067 -7.560 1.00 0.00 C ATOM 693 NE2 HIS A 43 2.488 -5.814 -6.305 1.00 0.00 N ATOM 0 H HIS A 43 3.778 -2.752 -5.661 1.00 0.00 H new ATOM 0 HA HIS A 43 4.707 -1.968 -8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.819 -1.912 -7.438 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.465 -2.411 -8.989 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.253 -4.872 -9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.033 -3.879 -5.367 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.078 -7.055 -7.945 1.00 0.00 H new ATOM 701 N LEU A 44 3.263 0.055 -6.232 1.00 0.00 N ATOM 702 CA LEU A 44 2.959 1.484 -5.992 1.00 0.00 C ATOM 703 C LEU A 44 4.200 2.189 -5.428 1.00 0.00 C ATOM 704 O LEU A 44 4.292 3.400 -5.449 1.00 0.00 O ATOM 705 CB LEU A 44 1.773 1.598 -5.025 1.00 0.00 C ATOM 706 CG LEU A 44 0.490 0.876 -5.555 1.00 0.00 C ATOM 707 CD1 LEU A 44 -0.674 1.840 -5.465 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.561 0.492 -7.031 1.00 0.00 C ATOM 0 H LEU A 44 3.089 -0.567 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 44 2.688 1.968 -6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.053 1.172 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.548 2.651 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 44 0.386 -0.025 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.578 1.354 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.818 2.141 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.465 2.721 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.365 -0.004 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.698 1.389 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.401 -0.184 -7.191 1.00 0.00 H new ATOM 720 N THR A 45 5.177 1.446 -4.972 1.00 0.00 N ATOM 721 CA THR A 45 6.428 2.078 -4.464 1.00 0.00 C ATOM 722 C THR A 45 6.149 3.356 -3.681 1.00 0.00 C ATOM 723 O THR A 45 6.991 4.228 -3.604 1.00 0.00 O ATOM 724 CB THR A 45 7.292 2.438 -5.661 1.00 0.00 C ATOM 725 OG1 THR A 45 6.543 2.241 -6.854 1.00 0.00 O ATOM 726 CG2 THR A 45 8.526 1.541 -5.678 1.00 0.00 C ATOM 0 H THR A 45 5.160 0.427 -4.930 1.00 0.00 H new ATOM 0 HA THR A 45 6.920 1.371 -3.796 1.00 0.00 H new ATOM 0 HB THR A 45 7.602 3.481 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.068 3.067 -7.082 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.149 1.796 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.095 1.687 -4.760 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.217 0.498 -5.751 1.00 0.00 H new ATOM 734 N ALA A 46 4.995 3.496 -3.110 1.00 0.00 N ATOM 735 CA ALA A 46 4.714 4.743 -2.356 1.00 0.00 C ATOM 736 C ALA A 46 5.130 5.929 -3.220 1.00 0.00 C ATOM 737 O ALA A 46 5.940 6.750 -2.841 1.00 0.00 O ATOM 738 CB ALA A 46 5.502 4.759 -1.050 1.00 0.00 C ATOM 0 H ALA A 46 4.239 2.811 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 46 3.652 4.800 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.287 5.679 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.214 3.902 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.569 4.707 -1.268 1.00 0.00 H new ATOM 744 N ARG A 47 4.548 5.988 -4.372 1.00 0.00 N ATOM 745 CA ARG A 47 4.794 7.063 -5.372 1.00 0.00 C ATOM 746 C ARG A 47 5.579 8.262 -4.798 1.00 0.00 C ATOM 747 O ARG A 47 6.778 8.348 -4.974 1.00 0.00 O ATOM 748 CB ARG A 47 3.411 7.573 -5.808 1.00 0.00 C ATOM 749 CG ARG A 47 2.285 6.883 -4.987 1.00 0.00 C ATOM 750 CD ARG A 47 1.797 5.620 -5.714 1.00 0.00 C ATOM 751 NE ARG A 47 1.125 6.005 -6.988 1.00 0.00 N ATOM 752 CZ ARG A 47 1.254 5.252 -8.046 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.588 3.998 -7.918 1.00 0.00 N ATOM 754 NH2 ARG A 47 1.050 5.756 -9.233 1.00 0.00 N ATOM 0 H ARG A 47 3.869 5.294 -4.684 1.00 0.00 H new ATOM 0 HA ARG A 47 5.390 6.649 -6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.357 8.653 -5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.265 7.378 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.656 6.621 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.454 7.573 -4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.639 4.959 -5.920 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.105 5.067 -5.079 1.00 0.00 H new ATOM 0 HE ARG A 47 0.565 6.856 -7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.749 3.605 -6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.689 3.410 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.790 6.737 -9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.151 5.168 -10.061 1.00 0.00 H new ATOM 768 N ASN A 48 4.937 9.207 -4.150 1.00 0.00 N ATOM 769 CA ASN A 48 5.705 10.387 -3.635 1.00 0.00 C ATOM 770 C ASN A 48 5.885 10.318 -2.116 1.00 0.00 C ATOM 771 O ASN A 48 6.393 11.243 -1.515 1.00 0.00 O ATOM 772 CB ASN A 48 4.968 11.692 -3.975 1.00 0.00 C ATOM 773 CG ASN A 48 3.573 11.395 -4.499 1.00 0.00 C ATOM 774 OD1 ASN A 48 3.443 10.726 -5.605 1.00 0.00 O flip ATOM 775 ND2 ASN A 48 2.588 11.773 -3.895 1.00 0.00 N flip ATOM 0 H ASN A 48 3.935 9.214 -3.958 1.00 0.00 H new ATOM 0 HA ASN A 48 6.684 10.368 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.903 12.322 -3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.532 12.251 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.692 12.298 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.657 11.565 -4.256 1.00 0.00 H new ATOM 782 N ARG A 49 5.490 9.252 -1.481 1.00 0.00 N ATOM 783 CA ARG A 49 5.666 9.185 -0.003 1.00 0.00 C ATOM 784 C ARG A 49 5.005 10.388 0.650 1.00 0.00 C ATOM 785 O ARG A 49 4.634 11.331 -0.022 1.00 0.00 O ATOM 786 CB ARG A 49 7.142 9.249 0.323 1.00 0.00 C ATOM 787 CG ARG A 49 7.686 7.830 0.463 1.00 0.00 C ATOM 788 CD ARG A 49 9.207 7.841 0.278 1.00 0.00 C ATOM 789 NE ARG A 49 9.835 8.614 1.386 1.00 0.00 N ATOM 790 CZ ARG A 49 11.136 8.699 1.466 1.00 0.00 C ATOM 791 NH1 ARG A 49 11.849 8.833 0.382 1.00 0.00 N ATOM 792 NH2 ARG A 49 11.722 8.650 2.632 1.00 0.00 N ATOM 0 H ARG A 49 5.059 8.434 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 49 5.221 8.260 0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.678 9.781 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.299 9.804 1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.432 7.428 1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.224 7.178 -0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.591 6.821 0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.464 8.287 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 49 9.250 9.076 2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.391 8.871 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.865 8.899 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.164 8.545 3.479 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.738 8.716 2.695 1.00 0.00 H new ATOM 806 N PRO A 50 4.891 10.339 1.950 1.00 0.00 N ATOM 807 CA PRO A 50 4.303 11.441 2.703 1.00 0.00 C ATOM 808 C PRO A 50 5.350 12.539 2.951 1.00 0.00 C ATOM 809 O PRO A 50 6.417 12.263 3.464 1.00 0.00 O ATOM 810 CB PRO A 50 3.879 10.795 4.020 1.00 0.00 C ATOM 811 CG PRO A 50 4.762 9.535 4.184 1.00 0.00 C ATOM 812 CD PRO A 50 5.302 9.186 2.782 1.00 0.00 C ATOM 0 HA PRO A 50 3.474 11.919 2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.021 11.482 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.822 10.530 4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.581 9.724 4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.183 8.707 4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.385 9.063 2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.878 8.253 2.411 1.00 0.00 H new ATOM 820 N PRO A 51 5.013 13.753 2.588 1.00 0.00 N ATOM 821 CA PRO A 51 5.909 14.910 2.771 1.00 0.00 C ATOM 822 C PRO A 51 5.896 15.365 4.234 1.00 0.00 C ATOM 823 O PRO A 51 5.063 16.152 4.639 1.00 0.00 O ATOM 824 CB PRO A 51 5.304 15.982 1.859 1.00 0.00 C ATOM 825 CG PRO A 51 3.820 15.593 1.658 1.00 0.00 C ATOM 826 CD PRO A 51 3.715 14.087 1.963 1.00 0.00 C ATOM 0 HA PRO A 51 6.949 14.692 2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.389 16.970 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.828 16.022 0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.175 16.169 2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.498 15.805 0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.883 13.873 2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.549 13.507 1.055 1.00 0.00 H new ATOM 834 N LEU A 52 6.809 14.877 5.033 1.00 0.00 N ATOM 835 CA LEU A 52 6.839 15.284 6.467 1.00 0.00 C ATOM 836 C LEU A 52 8.115 16.082 6.752 1.00 0.00 C ATOM 837 O LEU A 52 9.100 15.530 7.201 1.00 0.00 O ATOM 838 CB LEU A 52 6.821 14.035 7.354 1.00 0.00 C ATOM 839 CG LEU A 52 5.376 13.603 7.620 1.00 0.00 C ATOM 840 CD1 LEU A 52 4.578 14.787 8.178 1.00 0.00 C ATOM 841 CD2 LEU A 52 4.736 13.129 6.313 1.00 0.00 C ATOM 0 H LEU A 52 7.533 14.215 4.754 1.00 0.00 H new ATOM 0 HA LEU A 52 5.967 15.902 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.368 13.226 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.327 14.241 8.297 1.00 0.00 H new ATOM 0 HG LEU A 52 5.371 12.789 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.550 14.477 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.032 15.125 9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.584 15.603 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.708 12.821 6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.744 13.943 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.300 12.285 5.917 1.00 0.00 H new ATOM 853 N PRO A 53 8.057 17.363 6.491 1.00 0.00 N ATOM 854 CA PRO A 53 9.194 18.270 6.717 1.00 0.00 C ATOM 855 C PRO A 53 9.313 18.605 8.200 1.00 0.00 C ATOM 856 O PRO A 53 8.765 17.925 9.043 1.00 0.00 O ATOM 857 CB PRO A 53 8.839 19.510 5.896 1.00 0.00 C ATOM 858 CG PRO A 53 7.302 19.483 5.713 1.00 0.00 C ATOM 859 CD PRO A 53 6.856 18.026 5.942 1.00 0.00 C ATOM 0 HA PRO A 53 10.153 17.841 6.425 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.154 20.419 6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.346 19.496 4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.816 20.153 6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.025 19.820 4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.018 17.970 6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.532 17.558 5.013 1.00 0.00 H new ATOM 867 N ALA A 54 10.040 19.637 8.529 1.00 0.00 N ATOM 868 CA ALA A 54 10.198 19.986 9.963 1.00 0.00 C ATOM 869 C ALA A 54 11.333 21.000 10.126 1.00 0.00 C ATOM 870 O ALA A 54 11.954 21.412 9.167 1.00 0.00 O ATOM 871 CB ALA A 54 10.535 18.709 10.728 1.00 0.00 C ATOM 0 H ALA A 54 10.526 20.247 7.872 1.00 0.00 H new ATOM 0 HA ALA A 54 9.278 20.426 10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.656 18.940 11.786 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.728 17.987 10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.462 18.287 10.340 1.00 0.00 H new ATOM 877 N GLY A 55 11.608 21.403 11.336 1.00 0.00 N ATOM 878 CA GLY A 55 12.703 22.387 11.565 1.00 0.00 C ATOM 879 C GLY A 55 13.174 22.298 13.018 1.00 0.00 C ATOM 880 O GLY A 55 13.745 23.227 13.554 1.00 0.00 O ATOM 0 H GLY A 55 11.121 21.093 12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.534 22.186 10.889 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.352 23.395 11.347 1.00 0.00 H new ATOM 884 N THR A 56 12.937 21.186 13.659 1.00 0.00 N ATOM 885 CA THR A 56 13.370 21.036 15.077 1.00 0.00 C ATOM 886 C THR A 56 14.654 20.207 15.134 1.00 0.00 C ATOM 887 O THR A 56 15.424 20.405 16.060 1.00 0.00 O ATOM 888 CB THR A 56 12.270 20.329 15.873 1.00 0.00 C ATOM 889 OG1 THR A 56 12.266 18.947 15.543 1.00 0.00 O ATOM 890 CG2 THR A 56 10.911 20.944 15.527 1.00 0.00 C ATOM 891 OXT THR A 56 14.847 19.387 14.250 1.00 0.00 O ATOM 0 H THR A 56 12.462 20.375 13.262 1.00 0.00 H new ATOM 0 HA THR A 56 13.555 22.020 15.507 1.00 0.00 H new ATOM 0 HB THR A 56 12.457 20.448 16.940 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.564 18.491 16.052 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.129 20.440 16.094 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.917 22.004 15.780 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.719 20.826 14.461 1.00 0.00 H new TER 899 THR A 56