USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 571 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 29 SER OG : rot 180:sc= 0.153 USER MOD Set 1.2: A 49 ASN : amide:sc= 0 K(o=-0.8,f=-2.4) USER MOD Set 1.3: A 52 MET CE :methyl -156:sc= -0.953 (180deg=-2.02!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 34 THR OG1 : rot 69:sc= -0.642! USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 62 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.3!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -42:sc= -0.276! USER MOD Single : A 3 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.19) USER MOD Single : A 5 THR OG1 : rot 7:sc= -1.6! USER MOD Single : A 8 GLN : amide:sc= -0.604 K(o=-0.6,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.26 K(o=-2.3,f=-0.35) USER MOD Single : A 24 ASN : amide:sc= -10.3! C(o=-10!,f=-8.7!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0669 USER MOD Single : A 36 MET CE :methyl -140:sc= -2.84! (180deg=-5.03!) USER MOD Single : A 38 SER OG : rot 123:sc= 0.319 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00481 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -2.88! C(o=-2.9!,f=-4.8!) USER MOD Single : A 61 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-2.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 137:sc= -0.555 (180deg=-4.2!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.199 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -17.250 -3.742 -25.129 1.00 0.00 N ATOM 2 CA SER A 1 -18.605 -4.178 -24.682 1.00 0.00 C ATOM 3 C SER A 1 -18.893 -3.649 -23.274 1.00 0.00 C ATOM 4 O SER A 1 -19.951 -3.117 -23.004 1.00 0.00 O ATOM 5 CB SER A 1 -18.549 -5.705 -24.681 1.00 0.00 C ATOM 6 OG SER A 1 -19.827 -6.222 -25.032 1.00 0.00 O ATOM 0 H1 SER A 1 -17.066 -4.107 -26.085 1.00 0.00 H new ATOM 0 H2 SER A 1 -17.206 -2.703 -25.140 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.532 -4.112 -24.473 1.00 0.00 H new ATOM 0 HA SER A 1 -19.396 -3.800 -25.330 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.796 -6.053 -25.388 1.00 0.00 H new ATOM 0 HB3 SER A 1 -18.254 -6.069 -23.697 1.00 0.00 H new ATOM 0 HG SER A 1 -19.794 -7.201 -25.034 1.00 0.00 H new ATOM 14 N SER A 2 -17.958 -3.793 -22.374 1.00 0.00 N ATOM 15 CA SER A 2 -18.179 -3.299 -20.984 1.00 0.00 C ATOM 16 C SER A 2 -16.848 -3.226 -20.232 1.00 0.00 C ATOM 17 O SER A 2 -16.793 -3.387 -19.029 1.00 0.00 O ATOM 18 CB SER A 2 -19.102 -4.332 -20.339 1.00 0.00 C ATOM 19 OG SER A 2 -20.188 -4.603 -21.216 1.00 0.00 O ATOM 0 H SER A 2 -17.052 -4.231 -22.541 1.00 0.00 H new ATOM 0 HA SER A 2 -18.611 -2.298 -20.965 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.551 -5.249 -20.130 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.474 -3.959 -19.385 1.00 0.00 H new ATOM 0 HG SER A 2 -20.512 -3.764 -21.605 1.00 0.00 H new ATOM 25 N ASN A 3 -15.773 -2.983 -20.932 1.00 0.00 N ATOM 26 CA ASN A 3 -14.446 -2.899 -20.256 1.00 0.00 C ATOM 27 C ASN A 3 -14.357 -1.619 -19.422 1.00 0.00 C ATOM 28 O ASN A 3 -13.467 -0.810 -19.602 1.00 0.00 O ATOM 29 CB ASN A 3 -13.424 -2.872 -21.393 1.00 0.00 C ATOM 30 CG ASN A 3 -12.098 -3.457 -20.903 1.00 0.00 C ATOM 31 OD1 ASN A 3 -12.053 -4.575 -20.429 1.00 0.00 O ATOM 32 ND2 ASN A 3 -11.010 -2.744 -20.997 1.00 0.00 N ATOM 0 H ASN A 3 -15.756 -2.839 -21.942 1.00 0.00 H new ATOM 0 HA ASN A 3 -14.276 -3.733 -19.575 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.795 -3.445 -22.243 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -13.276 -1.849 -21.739 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.121 -3.125 -20.673 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.048 -1.806 -21.395 1.00 0.00 H new ATOM 39 N LEU A 4 -15.271 -1.425 -18.511 1.00 0.00 N ATOM 40 CA LEU A 4 -15.242 -0.200 -17.668 1.00 0.00 C ATOM 41 C LEU A 4 -15.819 -0.508 -16.288 1.00 0.00 C ATOM 42 O LEU A 4 -16.164 -1.633 -15.989 1.00 0.00 O ATOM 43 CB LEU A 4 -16.120 0.817 -18.402 1.00 0.00 C ATOM 44 CG LEU A 4 -17.344 0.120 -19.004 1.00 0.00 C ATOM 45 CD1 LEU A 4 -18.117 -0.604 -17.902 1.00 0.00 C ATOM 46 CD2 LEU A 4 -18.252 1.162 -19.662 1.00 0.00 C ATOM 0 H LEU A 4 -16.039 -2.066 -18.315 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.230 0.176 -17.519 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.440 1.598 -17.712 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.545 1.304 -19.190 1.00 0.00 H new ATOM 0 HG LEU A 4 -17.017 -0.603 -19.751 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -18.987 -1.099 -18.333 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.472 -1.347 -17.433 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.444 0.117 -17.153 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -19.123 0.667 -20.091 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.577 1.885 -18.914 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.703 1.677 -20.450 1.00 0.00 H new ATOM 58 N THR A 5 -15.933 0.481 -15.450 1.00 0.00 N ATOM 59 CA THR A 5 -16.503 0.241 -14.095 1.00 0.00 C ATOM 60 C THR A 5 -15.911 -1.031 -13.478 1.00 0.00 C ATOM 61 O THR A 5 -14.729 -1.289 -13.583 1.00 0.00 O ATOM 62 CB THR A 5 -18.004 0.084 -14.344 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.250 -1.087 -15.116 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.517 1.308 -15.103 1.00 0.00 C ATOM 0 H THR A 5 -15.657 1.444 -15.643 1.00 0.00 H new ATOM 0 HA THR A 5 -16.281 1.047 -13.395 1.00 0.00 H new ATOM 0 HB THR A 5 -18.520 -0.004 -13.388 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.416 -1.592 -15.219 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.587 1.202 -15.284 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.336 2.205 -14.511 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.995 1.390 -16.056 1.00 0.00 H new ATOM 72 N GLU A 6 -16.727 -1.826 -12.835 1.00 0.00 N ATOM 73 CA GLU A 6 -16.219 -3.082 -12.207 1.00 0.00 C ATOM 74 C GLU A 6 -15.193 -3.756 -13.121 1.00 0.00 C ATOM 75 O GLU A 6 -14.262 -4.391 -12.665 1.00 0.00 O ATOM 76 CB GLU A 6 -17.456 -3.964 -12.043 1.00 0.00 C ATOM 77 CG GLU A 6 -17.864 -4.539 -13.402 1.00 0.00 C ATOM 78 CD GLU A 6 -19.009 -5.536 -13.212 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.054 -5.125 -12.736 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.821 -6.694 -13.547 1.00 0.00 O ATOM 0 H GLU A 6 -17.726 -1.659 -12.718 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.719 -2.898 -11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.247 -4.773 -11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.276 -3.382 -11.622 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.174 -3.736 -14.070 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.012 -5.032 -13.871 1.00 0.00 H new ATOM 87 N GLU A 7 -15.351 -3.613 -14.405 1.00 0.00 N ATOM 88 CA GLU A 7 -14.381 -4.235 -15.348 1.00 0.00 C ATOM 89 C GLU A 7 -13.043 -3.504 -15.252 1.00 0.00 C ATOM 90 O GLU A 7 -11.998 -4.114 -15.131 1.00 0.00 O ATOM 91 CB GLU A 7 -14.998 -4.054 -16.736 1.00 0.00 C ATOM 92 CG GLU A 7 -14.697 -5.285 -17.593 1.00 0.00 C ATOM 93 CD GLU A 7 -15.967 -5.721 -18.325 1.00 0.00 C ATOM 94 OE1 GLU A 7 -17.028 -5.647 -17.727 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.857 -6.123 -19.473 1.00 0.00 O ATOM 0 H GLU A 7 -16.110 -3.092 -14.844 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.196 -5.287 -15.129 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.075 -3.912 -16.651 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.595 -3.160 -17.211 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.910 -5.057 -18.312 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.329 -6.097 -16.965 1.00 0.00 H new ATOM 102 N GLN A 8 -13.069 -2.200 -15.288 1.00 0.00 N ATOM 103 CA GLN A 8 -11.796 -1.436 -15.178 1.00 0.00 C ATOM 104 C GLN A 8 -11.262 -1.561 -13.750 1.00 0.00 C ATOM 105 O GLN A 8 -10.100 -1.835 -13.529 1.00 0.00 O ATOM 106 CB GLN A 8 -12.160 0.017 -15.528 1.00 0.00 C ATOM 107 CG GLN A 8 -12.577 0.791 -14.271 1.00 0.00 C ATOM 108 CD GLN A 8 -12.771 2.267 -14.623 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.648 2.610 -15.390 1.00 0.00 O ATOM 110 NE2 GLN A 8 -11.984 3.161 -14.091 1.00 0.00 N ATOM 0 H GLN A 8 -13.912 -1.634 -15.388 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.015 -1.804 -15.843 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.307 0.508 -15.997 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.973 0.028 -16.254 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.501 0.378 -13.866 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.816 0.687 -13.498 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.247 2.873 -13.447 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.105 4.148 -14.319 1.00 0.00 H new ATOM 119 N ILE A 9 -12.115 -1.376 -12.778 1.00 0.00 N ATOM 120 CA ILE A 9 -11.674 -1.496 -11.364 1.00 0.00 C ATOM 121 C ILE A 9 -10.982 -2.841 -11.152 1.00 0.00 C ATOM 122 O ILE A 9 -9.812 -2.904 -10.845 1.00 0.00 O ATOM 123 CB ILE A 9 -12.959 -1.429 -10.544 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.632 -0.071 -10.758 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.625 -1.607 -9.063 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.141 -0.215 -10.558 1.00 0.00 C ATOM 0 H ILE A 9 -13.101 -1.146 -12.906 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.967 -0.717 -11.080 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.636 -2.222 -10.862 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.229 0.661 -10.058 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.421 0.298 -11.762 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.542 -1.559 -8.475 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.147 -2.575 -8.912 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.948 -0.814 -8.745 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.622 0.751 -10.710 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.536 -0.934 -11.276 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.342 -0.565 -9.546 1.00 0.00 H new ATOM 138 N ALA A 10 -11.699 -3.920 -11.318 1.00 0.00 N ATOM 139 CA ALA A 10 -11.073 -5.260 -11.129 1.00 0.00 C ATOM 140 C ALA A 10 -9.694 -5.285 -11.793 1.00 0.00 C ATOM 141 O ALA A 10 -8.712 -5.691 -11.200 1.00 0.00 O ATOM 142 CB ALA A 10 -12.020 -6.243 -11.816 1.00 0.00 C ATOM 0 H ALA A 10 -12.686 -3.932 -11.575 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.929 -5.509 -10.078 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.626 -7.255 -11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.003 -6.190 -11.347 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.107 -5.987 -12.872 1.00 0.00 H new ATOM 148 N GLU A 11 -9.614 -4.841 -13.017 1.00 0.00 N ATOM 149 CA GLU A 11 -8.300 -4.827 -13.718 1.00 0.00 C ATOM 150 C GLU A 11 -7.326 -3.915 -12.970 1.00 0.00 C ATOM 151 O GLU A 11 -6.163 -4.226 -12.812 1.00 0.00 O ATOM 152 CB GLU A 11 -8.598 -4.269 -15.111 1.00 0.00 C ATOM 153 CG GLU A 11 -8.051 -5.225 -16.172 1.00 0.00 C ATOM 154 CD GLU A 11 -6.794 -4.623 -16.803 1.00 0.00 C ATOM 155 OE1 GLU A 11 -6.684 -3.407 -16.812 1.00 0.00 O ATOM 156 OE2 GLU A 11 -5.962 -5.387 -17.265 1.00 0.00 O ATOM 0 H GLU A 11 -10.401 -4.488 -13.561 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.843 -5.815 -13.769 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.673 -4.141 -15.241 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.144 -3.285 -15.225 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.818 -6.190 -15.722 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.805 -5.404 -16.938 1.00 0.00 H new ATOM 163 N PHE A 12 -7.799 -2.793 -12.503 1.00 0.00 N ATOM 164 CA PHE A 12 -6.910 -1.861 -11.757 1.00 0.00 C ATOM 165 C PHE A 12 -6.462 -2.510 -10.446 1.00 0.00 C ATOM 166 O PHE A 12 -5.287 -2.574 -10.145 1.00 0.00 O ATOM 167 CB PHE A 12 -7.771 -0.627 -11.488 1.00 0.00 C ATOM 168 CG PHE A 12 -7.968 0.136 -12.778 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.867 0.418 -13.594 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.249 0.557 -13.158 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.046 1.123 -14.791 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.426 1.261 -14.355 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.325 1.545 -15.172 1.00 0.00 C ATOM 0 H PHE A 12 -8.765 -2.481 -12.606 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.006 -1.608 -12.311 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.736 -0.925 -11.078 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.292 0.010 -10.745 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.880 0.092 -13.301 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.099 0.339 -12.528 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.196 1.341 -15.421 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.413 1.586 -14.649 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.462 2.089 -16.095 1.00 0.00 H new ATOM 183 N LYS A 13 -7.392 -2.997 -9.669 1.00 0.00 N ATOM 184 CA LYS A 13 -7.026 -3.653 -8.381 1.00 0.00 C ATOM 185 C LYS A 13 -5.791 -4.529 -8.583 1.00 0.00 C ATOM 186 O LYS A 13 -4.792 -4.375 -7.910 1.00 0.00 O ATOM 187 CB LYS A 13 -8.239 -4.509 -8.010 1.00 0.00 C ATOM 188 CG LYS A 13 -9.187 -3.695 -7.129 1.00 0.00 C ATOM 189 CD LYS A 13 -9.852 -4.617 -6.105 1.00 0.00 C ATOM 190 CE LYS A 13 -10.502 -3.775 -5.005 1.00 0.00 C ATOM 191 NZ LYS A 13 -10.304 -4.559 -3.754 1.00 0.00 N ATOM 0 H LYS A 13 -8.391 -2.969 -9.871 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.787 -2.933 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.755 -4.837 -8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.916 -5.407 -7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.637 -2.904 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.945 -3.210 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.603 -5.239 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.112 -5.291 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.037 -2.792 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.561 -3.612 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.724 -4.046 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.763 -5.487 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.286 -4.692 -3.585 1.00 0.00 H new ATOM 205 N GLU A 14 -5.843 -5.436 -9.521 1.00 0.00 N ATOM 206 CA GLU A 14 -4.657 -6.300 -9.773 1.00 0.00 C ATOM 207 C GLU A 14 -3.437 -5.415 -10.034 1.00 0.00 C ATOM 208 O GLU A 14 -2.364 -5.642 -9.508 1.00 0.00 O ATOM 209 CB GLU A 14 -5.012 -7.114 -11.018 1.00 0.00 C ATOM 210 CG GLU A 14 -4.826 -8.604 -10.725 1.00 0.00 C ATOM 211 CD GLU A 14 -6.175 -9.318 -10.831 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.940 -9.242 -9.884 1.00 0.00 O ATOM 213 OE2 GLU A 14 -6.420 -9.929 -11.859 1.00 0.00 O ATOM 0 H GLU A 14 -6.650 -5.614 -10.119 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.418 -6.948 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.043 -6.917 -11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.379 -6.815 -11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.117 -9.038 -11.430 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.408 -8.740 -9.727 1.00 0.00 H new ATOM 220 N ALA A 15 -3.600 -4.398 -10.836 1.00 0.00 N ATOM 221 CA ALA A 15 -2.460 -3.485 -11.124 1.00 0.00 C ATOM 222 C ALA A 15 -2.057 -2.746 -9.848 1.00 0.00 C ATOM 223 O ALA A 15 -0.893 -2.670 -9.506 1.00 0.00 O ATOM 224 CB ALA A 15 -2.989 -2.505 -12.171 1.00 0.00 C ATOM 0 H ALA A 15 -4.475 -4.161 -11.304 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.578 -4.017 -11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.204 -1.797 -12.436 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.298 -3.054 -13.060 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.843 -1.964 -11.764 1.00 0.00 H new ATOM 230 N PHE A 16 -3.009 -2.205 -9.134 1.00 0.00 N ATOM 231 CA PHE A 16 -2.670 -1.482 -7.877 1.00 0.00 C ATOM 232 C PHE A 16 -1.682 -2.313 -7.059 1.00 0.00 C ATOM 233 O PHE A 16 -0.549 -1.924 -6.853 1.00 0.00 O ATOM 234 CB PHE A 16 -3.989 -1.336 -7.118 1.00 0.00 C ATOM 235 CG PHE A 16 -3.698 -0.847 -5.719 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.358 0.494 -5.502 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.761 -1.737 -4.640 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.082 0.945 -4.205 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.485 -1.285 -3.343 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.146 0.056 -3.126 1.00 0.00 C ATOM 0 H PHE A 16 -4.002 -2.233 -9.367 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.209 -0.513 -8.072 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.645 -0.634 -7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.511 -2.292 -7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.309 1.180 -6.334 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.022 -2.771 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.820 1.979 -4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.534 -1.971 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.934 0.404 -2.126 1.00 0.00 H new ATOM 250 N ALA A 17 -2.100 -3.460 -6.599 1.00 0.00 N ATOM 251 CA ALA A 17 -1.182 -4.318 -5.802 1.00 0.00 C ATOM 252 C ALA A 17 0.192 -4.358 -6.471 1.00 0.00 C ATOM 253 O ALA A 17 1.209 -4.157 -5.837 1.00 0.00 O ATOM 254 CB ALA A 17 -1.825 -5.706 -5.810 1.00 0.00 C ATOM 0 H ALA A 17 -3.036 -3.839 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.038 -3.948 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.204 -6.398 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.815 -5.651 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.914 -6.060 -6.837 1.00 0.00 H new ATOM 260 N LEU A 18 0.231 -4.605 -7.753 1.00 0.00 N ATOM 261 CA LEU A 18 1.541 -4.643 -8.461 1.00 0.00 C ATOM 262 C LEU A 18 2.389 -3.443 -8.038 1.00 0.00 C ATOM 263 O LEU A 18 3.594 -3.534 -7.908 1.00 0.00 O ATOM 264 CB LEU A 18 1.193 -4.562 -9.948 1.00 0.00 C ATOM 265 CG LEU A 18 1.998 -5.609 -10.718 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.367 -6.988 -10.517 1.00 0.00 C ATOM 267 CD2 LEU A 18 1.994 -5.259 -12.208 1.00 0.00 C ATOM 0 H LEU A 18 -0.586 -4.781 -8.338 1.00 0.00 H new ATOM 0 HA LEU A 18 2.115 -5.541 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.126 -4.730 -10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.413 -3.565 -10.330 1.00 0.00 H new ATOM 0 HG LEU A 18 3.024 -5.622 -10.349 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.941 -7.734 -11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.368 -7.238 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.341 -6.976 -10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.568 -6.005 -12.758 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.968 -5.246 -12.576 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.443 -4.276 -12.352 1.00 0.00 H new ATOM 279 N PHE A 19 1.765 -2.317 -7.813 1.00 0.00 N ATOM 280 CA PHE A 19 2.530 -1.110 -7.390 1.00 0.00 C ATOM 281 C PHE A 19 2.977 -1.264 -5.935 1.00 0.00 C ATOM 282 O PHE A 19 4.098 -0.954 -5.582 1.00 0.00 O ATOM 283 CB PHE A 19 1.546 0.053 -7.528 1.00 0.00 C ATOM 284 CG PHE A 19 1.142 0.212 -8.974 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.084 0.014 -9.991 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.175 0.560 -9.300 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.710 0.163 -11.332 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.549 0.709 -10.641 1.00 0.00 C ATOM 289 CZ PHE A 19 0.393 0.510 -11.656 1.00 0.00 C ATOM 0 H PHE A 19 0.758 -2.182 -7.904 1.00 0.00 H new ATOM 0 HA PHE A 19 3.427 -0.954 -7.989 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.665 -0.129 -6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.003 0.973 -7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.100 -0.254 -9.741 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.902 0.713 -8.517 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.437 0.010 -12.116 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.565 0.978 -10.892 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.104 0.624 -12.690 1.00 0.00 H new ATOM 299 N ASP A 20 2.109 -1.747 -5.088 1.00 0.00 N ATOM 300 CA ASP A 20 2.480 -1.927 -3.656 1.00 0.00 C ATOM 301 C ASP A 20 3.407 -3.136 -3.505 1.00 0.00 C ATOM 302 O ASP A 20 3.630 -3.878 -4.441 1.00 0.00 O ATOM 303 CB ASP A 20 1.154 -2.169 -2.932 1.00 0.00 C ATOM 304 CG ASP A 20 1.428 -2.623 -1.497 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.386 -2.141 -0.916 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.672 -3.443 -1.003 1.00 0.00 O ATOM 0 H ASP A 20 1.157 -2.025 -5.327 1.00 0.00 H new ATOM 0 HA ASP A 20 3.011 -1.066 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.558 -1.256 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.573 -2.926 -3.459 1.00 0.00 H new ATOM 311 N LYS A 21 3.951 -3.343 -2.337 1.00 0.00 N ATOM 312 CA LYS A 21 4.864 -4.505 -2.136 1.00 0.00 C ATOM 313 C LYS A 21 4.346 -5.404 -1.010 1.00 0.00 C ATOM 314 O LYS A 21 5.090 -6.159 -0.416 1.00 0.00 O ATOM 315 CB LYS A 21 6.209 -3.889 -1.751 1.00 0.00 C ATOM 316 CG LYS A 21 6.948 -3.444 -3.015 1.00 0.00 C ATOM 317 CD LYS A 21 8.455 -3.463 -2.756 1.00 0.00 C ATOM 318 CE LYS A 21 8.761 -2.701 -1.465 1.00 0.00 C ATOM 319 NZ LYS A 21 10.131 -2.148 -1.660 1.00 0.00 N ATOM 0 H LYS A 21 3.803 -2.759 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 21 4.938 -5.127 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.054 -3.037 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.810 -4.615 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.702 -4.106 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.630 -2.442 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.808 -4.491 -2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.984 -3.008 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.035 -1.906 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.721 -3.361 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.412 -1.611 -0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.802 -2.928 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.137 -1.519 -2.488 1.00 0.00 H new ATOM 333 N ASP A 22 3.079 -5.329 -0.707 1.00 0.00 N ATOM 334 CA ASP A 22 2.525 -6.182 0.386 1.00 0.00 C ATOM 335 C ASP A 22 0.992 -6.137 0.384 1.00 0.00 C ATOM 336 O ASP A 22 0.354 -6.373 1.390 1.00 0.00 O ATOM 337 CB ASP A 22 3.080 -5.582 1.680 1.00 0.00 C ATOM 338 CG ASP A 22 3.019 -4.055 1.609 1.00 0.00 C ATOM 339 OD1 ASP A 22 2.119 -3.547 0.960 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.874 -3.418 2.203 1.00 0.00 O ATOM 0 H ASP A 22 2.405 -4.717 -1.166 1.00 0.00 H new ATOM 0 HA ASP A 22 2.805 -7.229 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.504 -5.939 2.534 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.109 -5.908 1.831 1.00 0.00 H new ATOM 345 N ASN A 23 0.401 -5.843 -0.742 1.00 0.00 N ATOM 346 CA ASN A 23 -1.090 -5.788 -0.820 1.00 0.00 C ATOM 347 C ASN A 23 -1.678 -5.134 0.435 1.00 0.00 C ATOM 348 O ASN A 23 -2.709 -5.542 0.930 1.00 0.00 O ATOM 349 CB ASN A 23 -1.541 -7.246 -0.915 1.00 0.00 C ATOM 350 CG ASN A 23 -0.625 -8.010 -1.874 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.961 -8.209 -3.025 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.526 -8.449 -1.447 1.00 0.00 N ATOM 0 H ASN A 23 0.887 -5.638 -1.615 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.426 -5.195 -1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.517 -7.709 0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.572 -7.295 -1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.144 -8.959 -2.079 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.809 -8.283 -0.481 1.00 0.00 H new ATOM 359 N ASN A 24 -1.041 -4.118 0.948 1.00 0.00 N ATOM 360 CA ASN A 24 -1.581 -3.441 2.163 1.00 0.00 C ATOM 361 C ASN A 24 -2.691 -2.465 1.768 1.00 0.00 C ATOM 362 O ASN A 24 -3.156 -1.680 2.571 1.00 0.00 O ATOM 363 CB ASN A 24 -0.401 -2.669 2.755 1.00 0.00 C ATOM 364 CG ASN A 24 0.659 -3.638 3.286 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.738 -3.220 3.660 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.405 -4.920 3.340 1.00 0.00 N ATOM 0 H ASN A 24 -0.173 -3.728 0.581 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.003 -4.154 2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.037 -2.022 1.995 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.749 -2.023 3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.111 -5.565 3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.499 -5.274 3.027 1.00 0.00 H new ATOM 373 N GLY A 25 -3.106 -2.492 0.531 1.00 0.00 N ATOM 374 CA GLY A 25 -4.168 -1.550 0.086 1.00 0.00 C ATOM 375 C GLY A 25 -3.597 -0.133 0.091 1.00 0.00 C ATOM 376 O GLY A 25 -4.317 0.842 0.000 1.00 0.00 O ATOM 0 H GLY A 25 -2.756 -3.125 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.514 -1.815 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.031 -1.612 0.749 1.00 0.00 H new ATOM 380 N SER A 26 -2.301 -0.015 0.200 1.00 0.00 N ATOM 381 CA SER A 26 -1.665 1.330 0.216 1.00 0.00 C ATOM 382 C SER A 26 -0.263 1.248 -0.395 1.00 0.00 C ATOM 383 O SER A 26 0.512 0.366 -0.079 1.00 0.00 O ATOM 384 CB SER A 26 -1.593 1.709 1.695 1.00 0.00 C ATOM 385 OG SER A 26 -0.235 1.884 2.077 1.00 0.00 O ATOM 0 H SER A 26 -1.653 -0.799 0.279 1.00 0.00 H new ATOM 0 HA SER A 26 -2.221 2.067 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.153 2.627 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.055 0.931 2.303 1.00 0.00 H new ATOM 0 HG SER A 26 -0.191 2.128 3.025 1.00 0.00 H new ATOM 391 N ILE A 27 0.064 2.155 -1.272 1.00 0.00 N ATOM 392 CA ILE A 27 1.412 2.122 -1.908 1.00 0.00 C ATOM 393 C ILE A 27 2.246 3.328 -1.467 1.00 0.00 C ATOM 394 O ILE A 27 1.800 4.457 -1.523 1.00 0.00 O ATOM 395 CB ILE A 27 1.137 2.185 -3.409 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.486 0.878 -3.861 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.452 2.387 -4.164 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.419 1.153 -5.062 1.00 0.00 C ATOM 0 H ILE A 27 -0.542 2.917 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 27 1.976 1.232 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 27 0.467 3.019 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.252 0.150 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.094 0.446 -3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.254 2.432 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.917 3.319 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.124 1.555 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.885 0.223 -5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.193 1.867 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.174 1.566 -5.878 1.00 0.00 H new ATOM 410 N SER A 28 3.454 3.097 -1.032 1.00 0.00 N ATOM 411 CA SER A 28 4.319 4.228 -0.594 1.00 0.00 C ATOM 412 C SER A 28 5.217 4.682 -1.750 1.00 0.00 C ATOM 413 O SER A 28 5.007 4.318 -2.889 1.00 0.00 O ATOM 414 CB SER A 28 5.162 3.663 0.549 1.00 0.00 C ATOM 415 OG SER A 28 4.862 4.369 1.746 1.00 0.00 O ATOM 0 H SER A 28 3.880 2.173 -0.961 1.00 0.00 H new ATOM 0 HA SER A 28 3.739 5.096 -0.281 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.955 2.601 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.222 3.755 0.314 1.00 0.00 H new ATOM 0 HG SER A 28 5.400 4.009 2.482 1.00 0.00 H new ATOM 421 N SER A 29 6.213 5.475 -1.465 1.00 0.00 N ATOM 422 CA SER A 29 7.121 5.950 -2.549 1.00 0.00 C ATOM 423 C SER A 29 7.858 4.768 -3.183 1.00 0.00 C ATOM 424 O SER A 29 7.774 4.537 -4.373 1.00 0.00 O ATOM 425 CB SER A 29 8.108 6.887 -1.856 1.00 0.00 C ATOM 426 OG SER A 29 7.545 7.341 -0.631 1.00 0.00 O ATOM 0 H SER A 29 6.438 5.815 -0.530 1.00 0.00 H new ATOM 0 HA SER A 29 6.578 6.450 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.048 6.368 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.336 7.735 -2.501 1.00 0.00 H new ATOM 0 HG SER A 29 8.177 7.941 -0.183 1.00 0.00 H new ATOM 432 N SER A 30 8.582 4.017 -2.399 1.00 0.00 N ATOM 433 CA SER A 30 9.326 2.852 -2.959 1.00 0.00 C ATOM 434 C SER A 30 8.349 1.819 -3.527 1.00 0.00 C ATOM 435 O SER A 30 8.483 1.375 -4.648 1.00 0.00 O ATOM 436 CB SER A 30 10.095 2.267 -1.775 1.00 0.00 C ATOM 437 OG SER A 30 10.554 3.324 -0.944 1.00 0.00 O ATOM 0 H SER A 30 8.691 4.159 -1.395 1.00 0.00 H new ATOM 0 HA SER A 30 9.989 3.141 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.453 1.595 -1.206 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.939 1.676 -2.131 1.00 0.00 H new ATOM 0 HG SER A 30 11.046 2.952 -0.183 1.00 0.00 H new ATOM 443 N GLU A 31 7.366 1.434 -2.759 1.00 0.00 N ATOM 444 CA GLU A 31 6.382 0.429 -3.255 1.00 0.00 C ATOM 445 C GLU A 31 5.989 0.740 -4.702 1.00 0.00 C ATOM 446 O GLU A 31 6.316 0.009 -5.615 1.00 0.00 O ATOM 447 CB GLU A 31 5.173 0.566 -2.330 1.00 0.00 C ATOM 448 CG GLU A 31 5.629 0.462 -0.873 1.00 0.00 C ATOM 449 CD GLU A 31 4.478 -0.061 -0.013 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.435 0.571 -0.005 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.659 -1.087 0.623 1.00 0.00 O ATOM 0 H GLU A 31 7.202 1.771 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 31 6.788 -0.583 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.679 1.523 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.443 -0.213 -2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.487 -0.206 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.952 1.438 -0.512 1.00 0.00 H new ATOM 458 N LEU A 32 5.287 1.820 -4.916 1.00 0.00 N ATOM 459 CA LEU A 32 4.872 2.174 -6.304 1.00 0.00 C ATOM 460 C LEU A 32 6.074 2.108 -7.251 1.00 0.00 C ATOM 461 O LEU A 32 5.960 1.683 -8.384 1.00 0.00 O ATOM 462 CB LEU A 32 4.345 3.607 -6.208 1.00 0.00 C ATOM 463 CG LEU A 32 2.991 3.701 -6.912 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.513 5.153 -6.906 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.134 3.218 -8.357 1.00 0.00 C ATOM 0 H LEU A 32 4.984 2.471 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 32 4.121 1.488 -6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.244 3.899 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.053 4.298 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 32 2.266 3.077 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.548 5.220 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.412 5.499 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.238 5.777 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.169 3.285 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.859 3.842 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.475 2.183 -8.363 1.00 0.00 H new ATOM 477 N ALA A 33 7.223 2.524 -6.796 1.00 0.00 N ATOM 478 CA ALA A 33 8.430 2.485 -7.672 1.00 0.00 C ATOM 479 C ALA A 33 8.887 1.039 -7.878 1.00 0.00 C ATOM 480 O ALA A 33 9.633 0.737 -8.788 1.00 0.00 O ATOM 481 CB ALA A 33 9.494 3.281 -6.917 1.00 0.00 C ATOM 0 H ALA A 33 7.380 2.889 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 33 8.236 2.901 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.416 3.299 -7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.143 4.301 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.683 2.811 -5.952 1.00 0.00 H new ATOM 487 N THR A 34 8.446 0.142 -7.039 1.00 0.00 N ATOM 488 CA THR A 34 8.858 -1.284 -7.188 1.00 0.00 C ATOM 489 C THR A 34 8.172 -1.910 -8.405 1.00 0.00 C ATOM 490 O THR A 34 8.410 -3.052 -8.745 1.00 0.00 O ATOM 491 CB THR A 34 8.394 -1.966 -5.901 1.00 0.00 C ATOM 492 OG1 THR A 34 8.922 -1.269 -4.781 1.00 0.00 O ATOM 493 CG2 THR A 34 8.886 -3.414 -5.882 1.00 0.00 C ATOM 0 H THR A 34 7.819 0.334 -6.258 1.00 0.00 H new ATOM 0 HA THR A 34 9.932 -1.389 -7.341 1.00 0.00 H new ATOM 0 HB THR A 34 7.305 -1.955 -5.856 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.493 -0.390 -4.711 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.554 -3.899 -4.964 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.480 -3.948 -6.741 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.975 -3.429 -5.927 1.00 0.00 H new ATOM 501 N VAL A 35 7.322 -1.171 -9.065 1.00 0.00 N ATOM 502 CA VAL A 35 6.623 -1.727 -10.260 1.00 0.00 C ATOM 503 C VAL A 35 7.349 -1.306 -11.541 1.00 0.00 C ATOM 504 O VAL A 35 7.254 -1.958 -12.562 1.00 0.00 O ATOM 505 CB VAL A 35 5.220 -1.121 -10.216 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.296 0.370 -10.551 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.329 -1.827 -11.240 1.00 0.00 C ATOM 0 H VAL A 35 7.081 -0.208 -8.829 1.00 0.00 H new ATOM 0 HA VAL A 35 6.597 -2.817 -10.253 1.00 0.00 H new ATOM 0 HB VAL A 35 4.801 -1.248 -9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.296 0.801 -10.520 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.932 0.874 -9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.715 0.498 -11.549 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.328 -1.396 -11.210 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.749 -1.699 -12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.274 -2.890 -11.003 1.00 0.00 H new ATOM 517 N MET A 36 8.074 -0.223 -11.495 1.00 0.00 N ATOM 518 CA MET A 36 8.804 0.237 -12.712 1.00 0.00 C ATOM 519 C MET A 36 10.314 0.089 -12.508 1.00 0.00 C ATOM 520 O MET A 36 10.993 -0.563 -13.276 1.00 0.00 O ATOM 521 CB MET A 36 8.425 1.710 -12.868 1.00 0.00 C ATOM 522 CG MET A 36 7.393 1.855 -13.988 1.00 0.00 C ATOM 523 SD MET A 36 7.021 3.609 -14.241 1.00 0.00 S ATOM 524 CE MET A 36 7.492 3.691 -15.986 1.00 0.00 C ATOM 0 H MET A 36 8.193 0.364 -10.669 1.00 0.00 H new ATOM 0 HA MET A 36 8.544 -0.346 -13.596 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.018 2.093 -11.932 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.311 2.302 -13.096 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.776 1.417 -14.909 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.483 1.312 -13.731 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.016 4.628 -16.178 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.147 2.853 -16.226 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.598 3.642 -16.607 1.00 0.00 H new ATOM 534 N ARG A 37 10.845 0.692 -11.479 1.00 0.00 N ATOM 535 CA ARG A 37 12.311 0.585 -11.227 1.00 0.00 C ATOM 536 C ARG A 37 12.754 -0.879 -11.293 1.00 0.00 C ATOM 537 O ARG A 37 13.901 -1.180 -11.560 1.00 0.00 O ATOM 538 CB ARG A 37 12.512 1.145 -9.819 1.00 0.00 C ATOM 539 CG ARG A 37 13.901 1.779 -9.715 1.00 0.00 C ATOM 540 CD ARG A 37 14.430 1.618 -8.288 1.00 0.00 C ATOM 541 NE ARG A 37 15.234 0.364 -8.317 1.00 0.00 N ATOM 542 CZ ARG A 37 15.634 -0.180 -7.201 1.00 0.00 C ATOM 543 NH1 ARG A 37 14.780 -0.805 -6.437 1.00 0.00 N ATOM 544 NH2 ARG A 37 16.887 -0.099 -6.847 1.00 0.00 N ATOM 0 H ARG A 37 10.328 1.254 -10.803 1.00 0.00 H new ATOM 0 HA ARG A 37 12.899 1.127 -11.968 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.745 1.887 -9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.408 0.349 -9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 37 14.582 1.306 -10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.851 2.835 -9.979 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.040 2.472 -7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.613 1.547 -7.569 1.00 0.00 H new ATOM 0 HE ARG A 37 15.472 -0.069 -9.209 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.800 -0.868 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.093 -1.230 -5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.555 0.390 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.199 -0.525 -5.974 1.00 0.00 H new ATOM 558 N SER A 38 11.853 -1.792 -11.050 1.00 0.00 N ATOM 559 CA SER A 38 12.224 -3.236 -11.097 1.00 0.00 C ATOM 560 C SER A 38 12.790 -3.592 -12.475 1.00 0.00 C ATOM 561 O SER A 38 13.984 -3.576 -12.689 1.00 0.00 O ATOM 562 CB SER A 38 10.919 -3.987 -10.842 1.00 0.00 C ATOM 563 OG SER A 38 10.931 -4.512 -9.521 1.00 0.00 O ATOM 0 H SER A 38 10.877 -1.601 -10.821 1.00 0.00 H new ATOM 0 HA SER A 38 12.990 -3.491 -10.365 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.069 -3.317 -10.972 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.803 -4.794 -11.566 1.00 0.00 H new ATOM 0 HG SER A 38 10.152 -4.178 -9.029 1.00 0.00 H new ATOM 569 N LEU A 39 11.938 -3.914 -13.411 1.00 0.00 N ATOM 570 CA LEU A 39 12.428 -4.271 -14.773 1.00 0.00 C ATOM 571 C LEU A 39 11.682 -3.455 -15.833 1.00 0.00 C ATOM 572 O LEU A 39 11.768 -3.727 -17.014 1.00 0.00 O ATOM 573 CB LEU A 39 12.119 -5.760 -14.928 1.00 0.00 C ATOM 574 CG LEU A 39 13.353 -6.580 -14.545 1.00 0.00 C ATOM 575 CD1 LEU A 39 12.956 -7.660 -13.537 1.00 0.00 C ATOM 576 CD2 LEU A 39 13.933 -7.241 -15.797 1.00 0.00 C ATOM 0 H LEU A 39 10.926 -3.945 -13.291 1.00 0.00 H new ATOM 0 HA LEU A 39 13.490 -4.060 -14.898 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.276 -6.035 -14.295 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.830 -5.977 -15.956 1.00 0.00 H new ATOM 0 HG LEU A 39 14.101 -5.924 -14.099 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.835 -8.244 -13.264 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.541 -7.190 -12.645 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.208 -8.316 -13.982 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.812 -7.825 -15.526 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.185 -7.897 -16.242 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.216 -6.472 -16.516 1.00 0.00 H new ATOM 588 N GLY A 40 10.950 -2.458 -15.420 1.00 0.00 N ATOM 589 CA GLY A 40 10.200 -1.626 -16.403 1.00 0.00 C ATOM 590 C GLY A 40 10.790 -0.215 -16.436 1.00 0.00 C ATOM 591 O GLY A 40 10.454 0.589 -17.283 1.00 0.00 O ATOM 0 H GLY A 40 10.838 -2.183 -14.444 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.255 -2.077 -17.394 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.146 -1.584 -16.130 1.00 0.00 H new ATOM 595 N LEU A 41 11.666 0.094 -15.520 1.00 0.00 N ATOM 596 CA LEU A 41 12.276 1.455 -15.500 1.00 0.00 C ATOM 597 C LEU A 41 13.266 1.576 -14.339 1.00 0.00 C ATOM 598 O LEU A 41 13.705 0.591 -13.779 1.00 0.00 O ATOM 599 CB LEU A 41 11.099 2.412 -15.303 1.00 0.00 C ATOM 600 CG LEU A 41 11.390 3.734 -16.014 1.00 0.00 C ATOM 601 CD1 LEU A 41 10.654 3.764 -17.355 1.00 0.00 C ATOM 602 CD2 LEU A 41 10.909 4.896 -15.143 1.00 0.00 C ATOM 0 H LEU A 41 11.986 -0.536 -14.785 1.00 0.00 H new ATOM 0 HA LEU A 41 12.831 1.672 -16.413 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.186 1.968 -15.699 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.934 2.588 -14.240 1.00 0.00 H new ATOM 0 HG LEU A 41 12.462 3.827 -16.186 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.861 4.706 -17.863 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.995 2.935 -17.976 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.581 3.672 -17.184 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.116 5.839 -15.648 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.836 4.803 -14.972 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.432 4.875 -14.187 1.00 0.00 H new ATOM 614 N SER A 42 13.621 2.778 -13.975 1.00 0.00 N ATOM 615 CA SER A 42 14.583 2.964 -12.850 1.00 0.00 C ATOM 616 C SER A 42 14.761 4.456 -12.552 1.00 0.00 C ATOM 617 O SER A 42 15.862 4.970 -12.591 1.00 0.00 O ATOM 618 CB SER A 42 15.893 2.355 -13.345 1.00 0.00 C ATOM 619 OG SER A 42 16.558 1.726 -12.257 1.00 0.00 O ATOM 0 H SER A 42 13.287 3.639 -14.407 1.00 0.00 H new ATOM 0 HA SER A 42 14.240 2.494 -11.928 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.695 1.629 -14.134 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.528 3.129 -13.776 1.00 0.00 H new ATOM 0 HG SER A 42 17.399 1.332 -12.571 1.00 0.00 H new ATOM 625 N PRO A 43 13.664 5.100 -12.266 1.00 0.00 N ATOM 626 CA PRO A 43 13.688 6.550 -11.959 1.00 0.00 C ATOM 627 C PRO A 43 14.264 6.790 -10.560 1.00 0.00 C ATOM 628 O PRO A 43 14.950 5.951 -10.010 1.00 0.00 O ATOM 629 CB PRO A 43 12.217 6.951 -12.013 1.00 0.00 C ATOM 630 CG PRO A 43 11.459 5.693 -11.728 1.00 0.00 C ATOM 631 CD PRO A 43 12.309 4.542 -12.202 1.00 0.00 C ATOM 0 HA PRO A 43 14.308 7.124 -12.648 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.991 7.722 -11.277 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.955 7.357 -12.990 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.250 5.603 -10.662 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.498 5.698 -12.242 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.257 3.699 -11.514 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.981 4.179 -13.176 1.00 0.00 H new ATOM 639 N SER A 44 13.989 7.926 -9.982 1.00 0.00 N ATOM 640 CA SER A 44 14.521 8.214 -8.618 1.00 0.00 C ATOM 641 C SER A 44 13.423 8.813 -7.736 1.00 0.00 C ATOM 642 O SER A 44 12.367 9.173 -8.213 1.00 0.00 O ATOM 643 CB SER A 44 15.648 9.223 -8.836 1.00 0.00 C ATOM 644 OG SER A 44 16.269 8.970 -10.090 1.00 0.00 O ATOM 0 H SER A 44 13.420 8.667 -10.393 1.00 0.00 H new ATOM 0 HA SER A 44 14.874 7.314 -8.114 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.252 10.238 -8.811 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.381 9.147 -8.032 1.00 0.00 H new ATOM 0 HG SER A 44 16.991 9.616 -10.234 1.00 0.00 H new ATOM 650 N GLU A 45 13.669 8.909 -6.453 1.00 0.00 N ATOM 651 CA GLU A 45 12.648 9.476 -5.518 1.00 0.00 C ATOM 652 C GLU A 45 11.844 10.588 -6.195 1.00 0.00 C ATOM 653 O GLU A 45 10.629 10.565 -6.204 1.00 0.00 O ATOM 654 CB GLU A 45 13.455 10.037 -4.347 1.00 0.00 C ATOM 655 CG GLU A 45 12.503 10.619 -3.302 1.00 0.00 C ATOM 656 CD GLU A 45 11.759 9.483 -2.599 1.00 0.00 C ATOM 657 OE1 GLU A 45 10.800 8.987 -3.167 1.00 0.00 O ATOM 658 OE2 GLU A 45 12.162 9.127 -1.503 1.00 0.00 O ATOM 0 H GLU A 45 14.540 8.617 -6.010 1.00 0.00 H new ATOM 0 HA GLU A 45 11.927 8.723 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.064 9.250 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.140 10.808 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.061 11.207 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.792 11.293 -3.779 1.00 0.00 H new ATOM 665 N ALA A 46 12.505 11.558 -6.769 1.00 0.00 N ATOM 666 CA ALA A 46 11.763 12.659 -7.448 1.00 0.00 C ATOM 667 C ALA A 46 10.613 12.069 -8.270 1.00 0.00 C ATOM 668 O ALA A 46 9.480 12.494 -8.167 1.00 0.00 O ATOM 669 CB ALA A 46 12.790 13.329 -8.362 1.00 0.00 C ATOM 0 H ALA A 46 13.522 11.635 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 46 11.329 13.369 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.318 14.152 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.615 13.712 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.170 12.600 -9.078 1.00 0.00 H new ATOM 675 N GLU A 47 10.899 11.081 -9.072 1.00 0.00 N ATOM 676 CA GLU A 47 9.829 10.445 -9.891 1.00 0.00 C ATOM 677 C GLU A 47 9.032 9.471 -9.015 1.00 0.00 C ATOM 678 O GLU A 47 7.817 9.489 -8.991 1.00 0.00 O ATOM 679 CB GLU A 47 10.586 9.710 -11.007 1.00 0.00 C ATOM 680 CG GLU A 47 9.805 8.472 -11.460 1.00 0.00 C ATOM 681 CD GLU A 47 8.334 8.842 -11.666 1.00 0.00 C ATOM 682 OE1 GLU A 47 8.080 9.835 -12.328 1.00 0.00 O ATOM 683 OE2 GLU A 47 7.487 8.125 -11.159 1.00 0.00 O ATOM 0 H GLU A 47 11.831 10.685 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 47 9.112 11.157 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.739 10.380 -11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.573 9.415 -10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.226 8.083 -12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.891 7.682 -10.714 1.00 0.00 H new ATOM 690 N VAL A 48 9.713 8.626 -8.292 1.00 0.00 N ATOM 691 CA VAL A 48 9.011 7.653 -7.406 1.00 0.00 C ATOM 692 C VAL A 48 8.026 8.394 -6.504 1.00 0.00 C ATOM 693 O VAL A 48 6.824 8.259 -6.627 1.00 0.00 O ATOM 694 CB VAL A 48 10.122 7.020 -6.569 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.560 5.848 -5.765 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.231 6.517 -7.490 1.00 0.00 C ATOM 0 H VAL A 48 10.731 8.567 -8.276 1.00 0.00 H new ATOM 0 HA VAL A 48 8.443 6.910 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 48 10.525 7.767 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.356 5.400 -5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.770 6.206 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.152 5.101 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.023 6.066 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.825 5.773 -8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.638 7.352 -8.060 1.00 0.00 H new ATOM 706 N ASN A 49 8.535 9.182 -5.601 1.00 0.00 N ATOM 707 CA ASN A 49 7.650 9.947 -4.684 1.00 0.00 C ATOM 708 C ASN A 49 6.635 10.761 -5.498 1.00 0.00 C ATOM 709 O ASN A 49 5.466 10.813 -5.175 1.00 0.00 O ATOM 710 CB ASN A 49 8.615 10.853 -3.910 1.00 0.00 C ATOM 711 CG ASN A 49 7.920 12.155 -3.501 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.016 12.146 -2.689 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.306 13.283 -4.033 1.00 0.00 N ATOM 0 H ASN A 49 9.534 9.330 -5.458 1.00 0.00 H new ATOM 0 HA ASN A 49 7.064 9.316 -4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.978 10.334 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.486 11.077 -4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.849 14.155 -3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.065 13.292 -4.715 1.00 0.00 H new ATOM 720 N ASP A 50 7.076 11.392 -6.553 1.00 0.00 N ATOM 721 CA ASP A 50 6.132 12.195 -7.384 1.00 0.00 C ATOM 722 C ASP A 50 4.946 11.327 -7.814 1.00 0.00 C ATOM 723 O ASP A 50 3.815 11.771 -7.832 1.00 0.00 O ATOM 724 CB ASP A 50 6.949 12.632 -8.602 1.00 0.00 C ATOM 725 CG ASP A 50 6.004 13.106 -9.708 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.239 14.022 -9.454 1.00 0.00 O ATOM 727 OD2 ASP A 50 6.063 12.546 -10.790 1.00 0.00 O ATOM 0 H ASP A 50 8.044 11.387 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 50 5.724 13.048 -6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.633 13.434 -8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.559 11.803 -8.961 1.00 0.00 H new ATOM 732 N LEU A 51 5.196 10.093 -8.155 1.00 0.00 N ATOM 733 CA LEU A 51 4.083 9.197 -8.579 1.00 0.00 C ATOM 734 C LEU A 51 3.109 8.984 -7.418 1.00 0.00 C ATOM 735 O LEU A 51 1.930 9.259 -7.525 1.00 0.00 O ATOM 736 CB LEU A 51 4.757 7.880 -8.963 1.00 0.00 C ATOM 737 CG LEU A 51 4.446 7.555 -10.425 1.00 0.00 C ATOM 738 CD1 LEU A 51 4.936 6.142 -10.750 1.00 0.00 C ATOM 739 CD2 LEU A 51 2.935 7.634 -10.653 1.00 0.00 C ATOM 0 H LEU A 51 6.122 9.666 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 51 3.508 9.614 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.835 7.955 -8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.403 7.076 -8.317 1.00 0.00 H new ATOM 0 HG LEU A 51 4.951 8.272 -11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.714 5.911 -11.792 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.012 6.083 -10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.431 5.424 -10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.712 7.403 -11.694 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.431 6.916 -10.006 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.584 8.640 -10.421 1.00 0.00 H new ATOM 751 N MET A 52 3.593 8.502 -6.306 1.00 0.00 N ATOM 752 CA MET A 52 2.694 8.277 -5.139 1.00 0.00 C ATOM 753 C MET A 52 1.913 9.558 -4.827 1.00 0.00 C ATOM 754 O MET A 52 0.706 9.544 -4.694 1.00 0.00 O ATOM 755 CB MET A 52 3.627 7.920 -3.980 1.00 0.00 C ATOM 756 CG MET A 52 2.876 8.062 -2.655 1.00 0.00 C ATOM 757 SD MET A 52 3.082 9.746 -2.024 1.00 0.00 S ATOM 758 CE MET A 52 4.854 9.642 -1.672 1.00 0.00 C ATOM 0 H MET A 52 4.571 8.255 -6.155 1.00 0.00 H new ATOM 0 HA MET A 52 1.961 7.492 -5.324 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.992 6.900 -4.095 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.499 8.574 -3.987 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.818 7.843 -2.799 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.255 7.341 -1.930 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.117 10.374 -0.908 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.096 8.641 -1.314 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.418 9.849 -2.581 1.00 0.00 H new ATOM 768 N ASN A 53 2.595 10.664 -4.711 1.00 0.00 N ATOM 769 CA ASN A 53 1.894 11.946 -4.411 1.00 0.00 C ATOM 770 C ASN A 53 0.877 12.260 -5.511 1.00 0.00 C ATOM 771 O ASN A 53 -0.277 12.530 -5.244 1.00 0.00 O ATOM 772 CB ASN A 53 2.998 13.003 -4.382 1.00 0.00 C ATOM 773 CG ASN A 53 2.967 13.737 -3.040 1.00 0.00 C ATOM 774 OD1 ASN A 53 3.617 13.329 -2.097 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.235 14.809 -2.913 1.00 0.00 N ATOM 0 H ASN A 53 3.608 10.736 -4.811 1.00 0.00 H new ATOM 0 HA ASN A 53 1.343 11.907 -3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.970 12.533 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.860 13.711 -5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.208 15.305 -2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.690 15.151 -3.704 1.00 0.00 H new ATOM 782 N GLU A 54 1.297 12.226 -6.747 1.00 0.00 N ATOM 783 CA GLU A 54 0.351 12.522 -7.861 1.00 0.00 C ATOM 784 C GLU A 54 -0.968 11.778 -7.643 1.00 0.00 C ATOM 785 O GLU A 54 -2.028 12.253 -8.002 1.00 0.00 O ATOM 786 CB GLU A 54 1.053 12.013 -9.121 1.00 0.00 C ATOM 787 CG GLU A 54 2.061 13.059 -9.603 1.00 0.00 C ATOM 788 CD GLU A 54 1.327 14.160 -10.370 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.188 13.936 -10.744 1.00 0.00 O ATOM 790 OE2 GLU A 54 1.918 15.209 -10.570 1.00 0.00 O ATOM 0 H GLU A 54 2.251 12.007 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 54 0.110 13.583 -7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.562 11.072 -8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.320 11.812 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.593 13.486 -8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.808 12.591 -10.244 1.00 0.00 H new ATOM 797 N ILE A 55 -0.912 10.614 -7.055 1.00 0.00 N ATOM 798 CA ILE A 55 -2.162 9.840 -6.811 1.00 0.00 C ATOM 799 C ILE A 55 -2.566 9.941 -5.338 1.00 0.00 C ATOM 800 O ILE A 55 -3.687 9.649 -4.970 1.00 0.00 O ATOM 801 CB ILE A 55 -1.810 8.397 -7.173 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.068 8.375 -8.511 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.092 7.571 -7.288 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.547 6.962 -8.784 1.00 0.00 C ATOM 0 H ILE A 55 -0.054 10.166 -6.733 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.002 10.214 -7.397 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.174 7.973 -6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.735 8.689 -9.314 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.239 9.082 -8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.840 6.542 -7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.622 7.587 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.729 7.994 -8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.019 6.947 -9.737 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.134 6.665 -7.987 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.385 6.266 -8.823 1.00 0.00 H new ATOM 816 N ASP A 56 -1.661 10.355 -4.493 1.00 0.00 N ATOM 817 CA ASP A 56 -1.995 10.476 -3.044 1.00 0.00 C ATOM 818 C ASP A 56 -3.097 11.519 -2.843 1.00 0.00 C ATOM 819 O ASP A 56 -2.845 12.627 -2.410 1.00 0.00 O ATOM 820 CB ASP A 56 -0.698 10.930 -2.374 1.00 0.00 C ATOM 821 CG ASP A 56 -0.611 10.329 -0.970 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.615 10.344 -0.278 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.458 9.864 -0.611 1.00 0.00 O ATOM 0 H ASP A 56 -0.707 10.614 -4.742 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.363 9.539 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.160 10.617 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.667 12.018 -2.318 1.00 0.00 H new ATOM 828 N VAL A 57 -4.316 11.176 -3.154 1.00 0.00 N ATOM 829 CA VAL A 57 -5.433 12.149 -2.980 1.00 0.00 C ATOM 830 C VAL A 57 -5.348 12.809 -1.602 1.00 0.00 C ATOM 831 O VAL A 57 -5.681 13.965 -1.435 1.00 0.00 O ATOM 832 CB VAL A 57 -6.707 11.313 -3.098 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.809 10.732 -4.509 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.662 10.171 -2.080 1.00 0.00 C ATOM 0 H VAL A 57 -4.588 10.264 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.403 12.951 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.574 11.944 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.718 10.136 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.840 11.544 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.942 10.101 -4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.570 9.574 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.794 9.542 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.590 10.583 -1.074 1.00 0.00 H new ATOM 844 N ASP A 58 -4.907 12.083 -0.613 1.00 0.00 N ATOM 845 CA ASP A 58 -4.802 12.669 0.755 1.00 0.00 C ATOM 846 C ASP A 58 -3.385 13.198 0.994 1.00 0.00 C ATOM 847 O ASP A 58 -3.186 14.166 1.701 1.00 0.00 O ATOM 848 CB ASP A 58 -5.109 11.514 1.711 1.00 0.00 C ATOM 849 CG ASP A 58 -6.298 10.708 1.184 1.00 0.00 C ATOM 850 OD1 ASP A 58 -7.415 11.180 1.322 1.00 0.00 O ATOM 851 OD2 ASP A 58 -6.072 9.634 0.653 1.00 0.00 O ATOM 0 H ASP A 58 -4.614 11.109 -0.691 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.485 13.506 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.236 10.869 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.333 11.902 2.705 1.00 0.00 H new ATOM 856 N GLY A 59 -2.402 12.570 0.412 1.00 0.00 N ATOM 857 CA GLY A 59 -1.000 13.036 0.605 1.00 0.00 C ATOM 858 C GLY A 59 -0.408 12.373 1.851 1.00 0.00 C ATOM 859 O GLY A 59 0.228 13.014 2.664 1.00 0.00 O ATOM 0 H GLY A 59 -2.509 11.753 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.400 12.789 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.978 14.121 0.712 1.00 0.00 H new ATOM 863 N ASN A 60 -0.611 11.094 2.007 1.00 0.00 N ATOM 864 CA ASN A 60 -0.058 10.390 3.203 1.00 0.00 C ATOM 865 C ASN A 60 1.219 9.636 2.825 1.00 0.00 C ATOM 866 O ASN A 60 1.476 8.552 3.308 1.00 0.00 O ATOM 867 CB ASN A 60 -1.149 9.404 3.632 1.00 0.00 C ATOM 868 CG ASN A 60 -2.522 10.071 3.533 1.00 0.00 C ATOM 869 OD1 ASN A 60 -3.483 9.450 3.123 1.00 0.00 O ATOM 870 ND2 ASN A 60 -2.656 11.317 3.894 1.00 0.00 N ATOM 0 H ASN A 60 -1.135 10.505 1.360 1.00 0.00 H new ATOM 0 HA ASN A 60 0.201 11.083 4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.119 8.517 2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.969 9.072 4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.567 11.771 3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.849 11.838 4.238 1.00 0.00 H new ATOM 877 N HIS A 61 2.019 10.197 1.960 1.00 0.00 N ATOM 878 CA HIS A 61 3.274 9.505 1.548 1.00 0.00 C ATOM 879 C HIS A 61 2.938 8.173 0.873 1.00 0.00 C ATOM 880 O HIS A 61 3.795 7.339 0.659 1.00 0.00 O ATOM 881 CB HIS A 61 4.045 9.271 2.848 1.00 0.00 C ATOM 882 CG HIS A 61 4.041 10.531 3.669 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.664 11.756 3.142 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.366 10.773 4.981 1.00 0.00 C ATOM 885 CE1 HIS A 61 3.769 12.670 4.123 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.194 12.124 5.265 1.00 0.00 N ATOM 0 H HIS A 61 1.859 11.104 1.521 1.00 0.00 H new ATOM 0 HA HIS A 61 3.855 10.088 0.833 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.590 8.456 3.411 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.070 8.972 2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.704 10.028 5.686 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.538 13.718 4.002 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.357 12.596 6.154 1.00 0.00 H new ATOM 894 N GLN A 62 1.693 7.973 0.535 1.00 0.00 N ATOM 895 CA GLN A 62 1.291 6.700 -0.128 1.00 0.00 C ATOM 896 C GLN A 62 -0.148 6.807 -0.635 1.00 0.00 C ATOM 897 O GLN A 62 -0.885 7.698 -0.261 1.00 0.00 O ATOM 898 CB GLN A 62 1.397 5.624 0.956 1.00 0.00 C ATOM 899 CG GLN A 62 0.835 6.161 2.274 1.00 0.00 C ATOM 900 CD GLN A 62 -0.124 5.132 2.878 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.078 4.728 2.244 1.00 0.00 O ATOM 902 NE2 GLN A 62 0.091 4.689 4.087 1.00 0.00 N ATOM 0 H GLN A 62 0.935 8.638 0.690 1.00 0.00 H new ATOM 0 HA GLN A 62 1.921 6.469 -0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.848 4.733 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.438 5.328 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.648 6.369 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.314 7.103 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.892 5.028 4.619 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.542 4.004 4.499 1.00 0.00 H new ATOM 911 N ILE A 63 -0.555 5.907 -1.486 1.00 0.00 N ATOM 912 CA ILE A 63 -1.943 5.963 -2.017 1.00 0.00 C ATOM 913 C ILE A 63 -2.644 4.616 -1.826 1.00 0.00 C ATOM 914 O ILE A 63 -2.013 3.582 -1.729 1.00 0.00 O ATOM 915 CB ILE A 63 -1.782 6.275 -3.506 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.316 5.020 -4.247 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.750 7.389 -3.691 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.534 4.277 -4.801 1.00 0.00 C ATOM 0 H ILE A 63 0.014 5.136 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.550 6.709 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.741 6.600 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.642 5.293 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.757 4.372 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.638 7.609 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.084 8.285 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.209 7.068 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.205 3.382 -5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.191 3.992 -3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.075 4.927 -5.489 1.00 0.00 H new ATOM 930 N GLU A 64 -3.947 4.620 -1.787 1.00 0.00 N ATOM 931 CA GLU A 64 -4.694 3.343 -1.621 1.00 0.00 C ATOM 932 C GLU A 64 -5.275 2.920 -2.971 1.00 0.00 C ATOM 933 O GLU A 64 -5.240 3.668 -3.927 1.00 0.00 O ATOM 934 CB GLU A 64 -5.813 3.660 -0.627 1.00 0.00 C ATOM 935 CG GLU A 64 -5.206 4.186 0.675 1.00 0.00 C ATOM 936 CD GLU A 64 -6.052 3.716 1.860 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.097 3.133 1.623 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.640 3.948 2.985 1.00 0.00 O ATOM 0 H GLU A 64 -4.528 5.455 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.064 2.528 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.490 4.402 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.403 2.765 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.182 3.829 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.163 5.275 0.655 1.00 0.00 H new ATOM 945 N PHE A 65 -5.802 1.732 -3.068 1.00 0.00 N ATOM 946 CA PHE A 65 -6.369 1.293 -4.373 1.00 0.00 C ATOM 947 C PHE A 65 -7.265 2.390 -4.955 1.00 0.00 C ATOM 948 O PHE A 65 -6.905 3.053 -5.906 1.00 0.00 O ATOM 949 CB PHE A 65 -7.195 0.046 -4.071 1.00 0.00 C ATOM 950 CG PHE A 65 -7.982 -0.310 -5.304 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.308 -0.579 -6.501 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.379 -0.353 -5.261 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.031 -0.894 -7.654 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.103 -0.665 -6.416 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.429 -0.936 -7.611 1.00 0.00 C ATOM 0 H PHE A 65 -5.865 1.053 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.585 1.089 -5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.544 -0.780 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.866 0.229 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.229 -0.543 -6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.898 -0.146 -4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.512 -1.105 -8.577 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.182 -0.697 -6.385 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.989 -1.178 -8.502 1.00 0.00 H new ATOM 965 N SER A 66 -8.430 2.576 -4.389 1.00 0.00 N ATOM 966 CA SER A 66 -9.364 3.627 -4.898 1.00 0.00 C ATOM 967 C SER A 66 -8.589 4.858 -5.379 1.00 0.00 C ATOM 968 O SER A 66 -8.886 5.423 -6.412 1.00 0.00 O ATOM 969 CB SER A 66 -10.245 3.984 -3.701 1.00 0.00 C ATOM 970 OG SER A 66 -11.502 4.456 -4.167 1.00 0.00 O ATOM 0 H SER A 66 -8.777 2.042 -3.592 1.00 0.00 H new ATOM 0 HA SER A 66 -9.947 3.276 -5.749 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.385 3.110 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.760 4.747 -3.093 1.00 0.00 H new ATOM 0 HG SER A 66 -12.070 4.684 -3.402 1.00 0.00 H new ATOM 976 N GLU A 67 -7.591 5.274 -4.645 1.00 0.00 N ATOM 977 CA GLU A 67 -6.800 6.460 -5.079 1.00 0.00 C ATOM 978 C GLU A 67 -6.153 6.170 -6.434 1.00 0.00 C ATOM 979 O GLU A 67 -6.146 6.998 -7.324 1.00 0.00 O ATOM 980 CB GLU A 67 -5.738 6.652 -3.996 1.00 0.00 C ATOM 981 CG GLU A 67 -6.423 6.868 -2.645 1.00 0.00 C ATOM 982 CD GLU A 67 -5.454 7.556 -1.681 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.411 7.998 -2.134 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.773 7.628 -0.506 1.00 0.00 O ATOM 0 H GLU A 67 -7.291 4.846 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.411 7.355 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.087 5.779 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.107 7.508 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.318 7.477 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.745 5.912 -2.232 1.00 0.00 H new ATOM 991 N PHE A 68 -5.625 4.988 -6.600 1.00 0.00 N ATOM 992 CA PHE A 68 -4.996 4.626 -7.901 1.00 0.00 C ATOM 993 C PHE A 68 -6.046 4.719 -9.011 1.00 0.00 C ATOM 994 O PHE A 68 -5.751 5.077 -10.134 1.00 0.00 O ATOM 995 CB PHE A 68 -4.510 3.184 -7.707 1.00 0.00 C ATOM 996 CG PHE A 68 -4.437 2.466 -9.036 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.740 3.040 -10.106 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.061 1.224 -9.194 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.670 2.369 -11.334 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.990 0.554 -10.419 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.294 1.126 -11.490 1.00 0.00 C ATOM 0 H PHE A 68 -5.602 4.257 -5.889 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.176 5.285 -8.186 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.528 3.186 -7.233 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.186 2.653 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.257 3.998 -9.985 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.599 0.782 -8.368 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.134 2.811 -12.161 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.472 -0.405 -10.539 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.238 0.609 -12.436 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.276 4.408 -8.699 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.351 4.487 -9.727 1.00 0.00 C ATOM 1013 C LEU A 69 -8.628 5.952 -10.069 1.00 0.00 C ATOM 1014 O LEU A 69 -8.930 6.294 -11.195 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.577 3.849 -9.070 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.562 2.338 -9.314 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.875 2.054 -10.783 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.181 1.777 -8.971 1.00 0.00 C ATOM 0 H LEU A 69 -7.582 4.102 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.081 3.982 -10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.577 4.055 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.489 4.285 -9.478 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.314 1.863 -8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.864 0.978 -10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.860 2.451 -11.028 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.124 2.530 -11.414 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.172 0.701 -9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.429 2.253 -9.600 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.957 1.977 -7.923 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.522 6.821 -9.100 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.773 8.266 -9.361 1.00 0.00 C ATOM 1032 C ALA A 70 -7.757 8.798 -10.375 1.00 0.00 C ATOM 1033 O ALA A 70 -8.103 9.487 -11.314 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.588 8.949 -8.004 1.00 0.00 C ATOM 0 H ALA A 70 -8.272 6.591 -8.138 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.764 8.449 -9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.756 10.021 -8.110 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.302 8.539 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.574 8.775 -7.644 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.504 8.478 -10.193 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.465 8.959 -11.148 1.00 0.00 C ATOM 1042 C LEU A 71 -5.375 8.012 -12.347 1.00 0.00 C ATOM 1043 O LEU A 71 -5.007 8.405 -13.436 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.159 8.946 -10.353 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.558 10.352 -10.332 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.400 10.861 -11.766 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -4.488 11.291 -9.560 1.00 0.00 C ATOM 0 H LEU A 71 -6.155 7.905 -9.425 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.690 9.950 -11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.344 8.603 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.455 8.245 -10.802 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.583 10.323 -9.846 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.972 11.863 -11.751 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.740 10.192 -12.319 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.376 10.891 -12.251 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.061 12.294 -9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.463 11.319 -10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.604 10.930 -8.538 1.00 0.00 H new ATOM 1059 N MET A 72 -5.710 6.765 -12.154 1.00 0.00 N ATOM 1060 CA MET A 72 -5.647 5.791 -13.282 1.00 0.00 C ATOM 1061 C MET A 72 -6.904 5.904 -14.147 1.00 0.00 C ATOM 1062 O MET A 72 -6.832 6.125 -15.340 1.00 0.00 O ATOM 1063 CB MET A 72 -5.576 4.418 -12.615 1.00 0.00 C ATOM 1064 CG MET A 72 -5.368 3.341 -13.683 1.00 0.00 C ATOM 1065 SD MET A 72 -3.767 3.592 -14.490 1.00 0.00 S ATOM 1066 CE MET A 72 -3.298 1.849 -14.608 1.00 0.00 C ATOM 0 H MET A 72 -6.025 6.378 -11.264 1.00 0.00 H new ATOM 0 HA MET A 72 -4.794 5.970 -13.937 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.758 4.394 -11.895 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.494 4.223 -12.061 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.407 2.351 -13.229 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.170 3.385 -14.420 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.868 1.654 -15.590 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.563 1.617 -13.838 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.180 1.225 -14.467 1.00 0.00 H new ATOM 1076 N SER A 73 -8.057 5.755 -13.555 1.00 0.00 N ATOM 1077 CA SER A 73 -9.321 5.853 -14.340 1.00 0.00 C ATOM 1078 C SER A 73 -9.216 5.021 -15.623 1.00 0.00 C ATOM 1079 O SER A 73 -9.523 3.846 -15.635 1.00 0.00 O ATOM 1080 CB SER A 73 -9.467 7.338 -14.672 1.00 0.00 C ATOM 1081 OG SER A 73 -10.488 7.504 -15.646 1.00 0.00 O ATOM 0 H SER A 73 -8.179 5.569 -12.560 1.00 0.00 H new ATOM 0 HA SER A 73 -10.180 5.473 -13.787 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.713 7.901 -13.772 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.523 7.733 -15.047 1.00 0.00 H new ATOM 0 HG SER A 73 -10.585 8.456 -15.859 1.00 0.00 H new ATOM 1087 N ARG A 74 -8.784 5.620 -16.700 1.00 0.00 N ATOM 1088 CA ARG A 74 -8.662 4.859 -17.977 1.00 0.00 C ATOM 1089 C ARG A 74 -8.080 5.755 -19.073 1.00 0.00 C ATOM 1090 O ARG A 74 -7.095 5.425 -19.701 1.00 0.00 O ATOM 1091 CB ARG A 74 -10.091 4.442 -18.327 1.00 0.00 C ATOM 1092 CG ARG A 74 -10.061 3.436 -19.480 1.00 0.00 C ATOM 1093 CD ARG A 74 -9.605 2.073 -18.956 1.00 0.00 C ATOM 1094 NE ARG A 74 -9.006 1.390 -20.136 1.00 0.00 N ATOM 1095 CZ ARG A 74 -8.469 0.208 -20.002 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -9.226 -0.833 -19.786 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -7.175 0.066 -20.086 1.00 0.00 N ATOM 0 H ARG A 74 -8.511 6.601 -16.751 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.998 4.000 -17.884 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.576 3.999 -17.457 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.678 5.316 -18.608 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.050 3.352 -19.929 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.384 3.782 -20.261 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.878 2.182 -18.151 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.443 1.504 -18.553 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.015 1.846 -21.048 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.238 -0.723 -19.722 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.806 -1.756 -19.681 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.583 0.879 -20.256 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.755 -0.858 -19.981 1.00 0.00 H new ATOM 1111 N GLN A 75 -8.683 6.889 -19.306 1.00 0.00 N ATOM 1112 CA GLN A 75 -8.165 7.806 -20.361 1.00 0.00 C ATOM 1113 C GLN A 75 -7.033 8.671 -19.801 1.00 0.00 C ATOM 1114 O GLN A 75 -6.400 8.324 -18.823 1.00 0.00 O ATOM 1115 CB GLN A 75 -9.361 8.675 -20.752 1.00 0.00 C ATOM 1116 CG GLN A 75 -9.815 8.314 -22.167 1.00 0.00 C ATOM 1117 CD GLN A 75 -11.342 8.251 -22.212 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -11.911 7.227 -22.539 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -12.037 9.309 -21.895 1.00 0.00 N ATOM 0 H GLN A 75 -9.512 7.220 -18.812 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.758 7.265 -21.215 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.179 8.525 -20.047 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.089 9.729 -20.704 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.450 9.055 -22.878 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.392 7.354 -22.462 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.561 10.168 -21.621 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.056 9.277 -21.922 1.00 0.00 H new ATOM 1128 N LEU A 76 -6.772 9.794 -20.412 1.00 0.00 N ATOM 1129 CA LEU A 76 -5.681 10.678 -19.913 1.00 0.00 C ATOM 1130 C LEU A 76 -6.122 12.144 -19.968 1.00 0.00 C ATOM 1131 O LEU A 76 -5.530 12.955 -20.652 1.00 0.00 O ATOM 1132 CB LEU A 76 -4.507 10.435 -20.863 1.00 0.00 C ATOM 1133 CG LEU A 76 -5.008 10.445 -22.308 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -3.862 10.835 -23.244 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -5.515 9.049 -22.679 1.00 0.00 C ATOM 0 H LEU A 76 -7.267 10.138 -21.235 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.417 10.464 -18.877 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.748 11.205 -20.725 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.035 9.479 -20.637 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.819 11.167 -22.407 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.220 10.842 -24.274 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.498 11.828 -22.980 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.051 10.113 -23.146 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.873 9.054 -23.709 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.703 8.329 -22.580 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.331 8.769 -22.013 1.00 0.00 H new ATOM 1147 N LYS A 77 -7.159 12.488 -19.254 1.00 0.00 N ATOM 1148 CA LYS A 77 -7.637 13.901 -19.266 1.00 0.00 C ATOM 1149 C LYS A 77 -6.732 14.773 -18.391 1.00 0.00 C ATOM 1150 O LYS A 77 -6.035 15.608 -18.943 1.00 0.00 O ATOM 1151 CB LYS A 77 -9.051 13.844 -18.687 1.00 0.00 C ATOM 1152 CG LYS A 77 -9.685 15.235 -18.752 1.00 0.00 C ATOM 1153 CD LYS A 77 -10.989 15.164 -19.549 1.00 0.00 C ATOM 1154 CE LYS A 77 -10.767 15.746 -20.947 1.00 0.00 C ATOM 1155 NZ LYS A 77 -11.926 15.269 -21.751 1.00 0.00 N ATOM 1156 OXT LYS A 77 -6.753 14.590 -17.185 1.00 0.00 O ATOM 0 H LYS A 77 -7.696 11.853 -18.663 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.623 14.334 -20.266 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.656 13.130 -19.246 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.019 13.495 -17.655 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.881 15.604 -17.745 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.997 15.938 -19.221 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.326 14.130 -19.624 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.773 15.718 -19.033 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.727 16.835 -20.919 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.824 15.403 -21.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.845 15.628 -22.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.934 14.229 -21.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.810 15.617 -21.326 1.00 0.00 H new TER 1170 LYS A 77 HETATM 1171 CA CA A 101 2.075 -1.187 1.702 1.00 0.00 CA HETATM 1172 CA CA A 102 -3.446 8.652 0.424 1.00 0.00 CA