USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 hydrogens (16 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 91 SUZ HO2 : A 91 SUZ O2 : A 91 SUZ C12 :(short bond) USER MOD Set 1.1: A 22 GLN :FLIP amide:sc= 0.0652 F(o=-0.61,f=0.14) USER MOD Set 1.2: A 32 TYR OH : rot 37:sc= 0.0706 USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0.404 USER MOD Set 2.2: A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 1 ASN N :NH3+ -156:sc= 1.19 (180deg=1.07) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.366 K(o=0.37,f=-10!) USER MOD Single : A 9 MET CE :methyl -173:sc= 0 (180deg=-0.0754) USER MOD Single : A 12 HIS : no HD1:sc= -0.771 K(o=-0.77,f=-1.6) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.45! C(o=-1.5!,f=-3.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 153:sc= 0 (180deg=-0.984) USER MOD Single : A 56 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.7!) USER MOD Single : A 58 ASN : amide:sc= -1.53! C(o=-1.5!,f=-12!) USER MOD Single : A 61 ASN : amide:sc= -0.427 K(o=-0.43,f=-7.6!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.074) USER MOD Single : A 65 MET CE :methyl -118:sc=-0.00633 (180deg=-1.3) USER MOD Single : A 66 SER OG : rot 123:sc= 1.38 USER MOD Single : A 67 ASN : amide:sc= 0.932 K(o=0.93,f=-3!) USER MOD Single : A 79 SER OG : rot 91:sc= 1.25 USER MOD Single : A 80 GLN : amide:sc= 0.0552 X(o=0.055,f=-0.062) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 73:sc= -0.633 USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 0.996! (180deg=0.882!) USER MOD Single : A 91 SUZ C1 :methyl -170:sc= -1.33 (180deg=-1.66) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.168 13.052 8.028 1.00 0.00 N ATOM 2 CA ASN A 1 3.943 12.747 8.799 1.00 0.00 C ATOM 3 C ASN A 1 3.371 11.408 8.364 1.00 0.00 C ATOM 4 O ASN A 1 3.121 11.190 7.179 1.00 0.00 O ATOM 5 CB ASN A 1 2.896 13.847 8.596 1.00 0.00 C ATOM 6 CG ASN A 1 1.707 13.693 9.523 1.00 0.00 C ATOM 7 OD1 ASN A 1 0.751 12.979 9.224 1.00 0.00 O ATOM 8 ND2 ASN A 1 1.751 14.379 10.652 1.00 0.00 N ATOM 0 H1 ASN A 1 5.763 13.712 8.568 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.696 12.173 7.854 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.907 13.485 7.119 1.00 0.00 H new ATOM 0 HA ASN A 1 4.204 12.699 9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.359 14.820 8.762 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.551 13.830 7.562 1.00 0.00 H new ATOM 0 HD21 ASN A 1 0.974 14.327 11.311 1.00 0.00 H new ATOM 0 HD22 ASN A 1 2.562 14.960 10.864 1.00 0.00 H new ATOM 17 N ILE A 2 3.170 10.511 9.315 1.00 0.00 N ATOM 18 CA ILE A 2 2.620 9.199 9.011 1.00 0.00 C ATOM 19 C ILE A 2 1.107 9.210 9.203 1.00 0.00 C ATOM 20 O ILE A 2 0.600 9.722 10.205 1.00 0.00 O ATOM 21 CB ILE A 2 3.251 8.100 9.894 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.776 8.185 9.841 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.785 6.723 9.451 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.473 7.237 10.793 1.00 0.00 C ATOM 0 H ILE A 2 3.378 10.666 10.301 1.00 0.00 H new ATOM 0 HA ILE A 2 2.856 8.972 7.971 1.00 0.00 H new ATOM 0 HB ILE A 2 2.927 8.259 10.923 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.107 7.973 8.824 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.082 9.206 10.070 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.241 5.963 10.086 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.700 6.662 9.534 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.080 6.555 8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.552 7.355 10.698 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.172 7.462 11.816 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.197 6.211 10.551 1.00 0.00 H new ATOM 36 N ILE A 3 0.391 8.662 8.234 1.00 0.00 N ATOM 37 CA ILE A 3 -1.063 8.615 8.288 1.00 0.00 C ATOM 38 C ILE A 3 -1.565 7.192 8.072 1.00 0.00 C ATOM 39 O ILE A 3 -1.176 6.526 7.112 1.00 0.00 O ATOM 40 CB ILE A 3 -1.691 9.552 7.227 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.343 11.008 7.541 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.202 9.373 7.162 1.00 0.00 C ATOM 43 CD1 ILE A 3 -1.937 12.001 6.570 1.00 0.00 C ATOM 0 H ILE A 3 0.795 8.242 7.397 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.366 8.955 9.279 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.278 9.289 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.690 11.246 8.547 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.259 11.120 7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.616 10.043 6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.435 8.342 6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.638 9.606 8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.646 13.011 6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.571 11.791 5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.024 11.919 6.585 1.00 0.00 H new ATOM 55 N THR A 4 -2.415 6.727 8.976 1.00 0.00 N ATOM 56 CA THR A 4 -2.979 5.395 8.878 1.00 0.00 C ATOM 57 C THR A 4 -4.445 5.473 8.467 1.00 0.00 C ATOM 58 O THR A 4 -5.276 6.019 9.194 1.00 0.00 O ATOM 59 CB THR A 4 -2.857 4.637 10.213 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.544 4.823 10.757 1.00 0.00 O ATOM 61 CG2 THR A 4 -3.119 3.154 10.018 1.00 0.00 C ATOM 0 H THR A 4 -2.728 7.258 9.788 1.00 0.00 H new ATOM 0 HA THR A 4 -2.416 4.850 8.120 1.00 0.00 H new ATOM 0 HB THR A 4 -3.601 5.034 10.903 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.471 4.341 11.607 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.027 2.639 10.975 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.125 3.011 9.624 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.393 2.746 9.315 1.00 0.00 H new ATOM 69 N VAL A 5 -4.754 4.946 7.293 1.00 0.00 N ATOM 70 CA VAL A 5 -6.119 4.965 6.789 1.00 0.00 C ATOM 71 C VAL A 5 -6.699 3.554 6.727 1.00 0.00 C ATOM 72 O VAL A 5 -5.964 2.570 6.614 1.00 0.00 O ATOM 73 CB VAL A 5 -6.206 5.612 5.382 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.485 6.952 5.355 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.647 4.685 4.309 1.00 0.00 C ATOM 0 H VAL A 5 -4.079 4.500 6.671 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.701 5.568 7.486 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.260 5.782 5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.560 7.386 4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.943 7.626 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.435 6.805 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.723 5.168 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.601 4.467 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.217 3.756 4.298 1.00 0.00 H new ATOM 85 N THR A 6 -8.016 3.460 6.821 1.00 0.00 N ATOM 86 CA THR A 6 -8.691 2.178 6.748 1.00 0.00 C ATOM 87 C THR A 6 -9.523 2.116 5.471 1.00 0.00 C ATOM 88 O THR A 6 -10.178 3.091 5.095 1.00 0.00 O ATOM 89 CB THR A 6 -9.584 1.919 7.988 1.00 0.00 C ATOM 90 OG1 THR A 6 -10.251 0.652 7.871 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.621 3.019 8.172 1.00 0.00 C ATOM 0 H THR A 6 -8.638 4.259 6.948 1.00 0.00 H new ATOM 0 HA THR A 6 -7.932 1.396 6.733 1.00 0.00 H new ATOM 0 HB THR A 6 -8.931 1.910 8.861 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.810 0.502 8.662 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.228 2.803 9.051 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.117 3.976 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.261 3.066 7.291 1.00 0.00 H new ATOM 99 N LEU A 7 -9.465 0.988 4.787 1.00 0.00 N ATOM 100 CA LEU A 7 -10.202 0.815 3.550 1.00 0.00 C ATOM 101 C LEU A 7 -11.291 -0.236 3.710 1.00 0.00 C ATOM 102 O LEU A 7 -11.097 -1.257 4.376 1.00 0.00 O ATOM 103 CB LEU A 7 -9.243 0.423 2.427 1.00 0.00 C ATOM 104 CG LEU A 7 -8.099 1.410 2.182 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.182 0.898 1.091 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.629 2.790 1.822 1.00 0.00 C ATOM 0 H LEU A 7 -8.914 0.177 5.068 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.682 1.760 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.818 -0.554 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.813 0.313 1.504 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.530 1.498 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.374 1.612 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.763 -0.063 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.748 0.776 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.793 3.469 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.230 2.724 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.244 3.168 2.639 1.00 0.00 H new ATOM 118 N ASN A 8 -12.437 0.025 3.098 1.00 0.00 N ATOM 119 CA ASN A 8 -13.568 -0.884 3.169 1.00 0.00 C ATOM 120 C ASN A 8 -13.535 -1.861 2.000 1.00 0.00 C ATOM 121 O ASN A 8 -13.715 -1.468 0.842 1.00 0.00 O ATOM 122 CB ASN A 8 -14.880 -0.097 3.159 1.00 0.00 C ATOM 123 CG ASN A 8 -16.094 -0.991 3.297 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.641 -1.465 2.305 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.519 -1.234 4.527 1.00 0.00 N ATOM 0 H ASN A 8 -12.607 0.864 2.544 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.503 -1.448 4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.872 0.627 3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.953 0.469 2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.329 -1.835 4.677 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.036 -0.820 5.325 1.00 0.00 H new ATOM 132 N MET A 9 -13.315 -3.132 2.313 1.00 0.00 N ATOM 133 CA MET A 9 -13.245 -4.180 1.295 1.00 0.00 C ATOM 134 C MET A 9 -14.608 -4.827 1.075 1.00 0.00 C ATOM 135 O MET A 9 -14.724 -5.853 0.400 1.00 0.00 O ATOM 136 CB MET A 9 -12.214 -5.239 1.694 1.00 0.00 C ATOM 137 CG MET A 9 -10.796 -4.701 1.766 1.00 0.00 C ATOM 138 SD MET A 9 -10.292 -3.854 0.256 1.00 0.00 S ATOM 139 CE MET A 9 -10.180 -5.235 -0.881 1.00 0.00 C ATOM 0 H MET A 9 -13.181 -3.466 3.267 1.00 0.00 H new ATOM 0 HA MET A 9 -12.935 -3.719 0.357 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.487 -5.654 2.664 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.248 -6.058 0.976 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.716 -4.013 2.607 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.109 -5.525 1.962 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.759 -4.894 -1.827 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.538 -6.006 -0.455 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.175 -5.646 -1.054 1.00 0.00 H new ATOM 149 N GLU A 10 -15.637 -4.233 1.658 1.00 0.00 N ATOM 150 CA GLU A 10 -16.995 -4.733 1.503 1.00 0.00 C ATOM 151 C GLU A 10 -17.617 -4.145 0.246 1.00 0.00 C ATOM 152 O GLU A 10 -18.145 -4.862 -0.603 1.00 0.00 O ATOM 153 CB GLU A 10 -17.845 -4.361 2.720 1.00 0.00 C ATOM 154 CG GLU A 10 -17.318 -4.926 4.028 1.00 0.00 C ATOM 155 CD GLU A 10 -17.453 -6.428 4.104 1.00 0.00 C ATOM 156 OE1 GLU A 10 -18.601 -6.929 4.101 1.00 0.00 O ATOM 157 OE2 GLU A 10 -16.417 -7.118 4.163 1.00 0.00 O ATOM 0 H GLU A 10 -15.558 -3.402 2.244 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.960 -5.819 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.896 -3.275 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.863 -4.718 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.269 -4.652 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.858 -4.473 4.860 1.00 0.00 H new ATOM 164 N ARG A 11 -17.544 -2.831 0.144 1.00 0.00 N ATOM 165 CA ARG A 11 -18.087 -2.106 -0.994 1.00 0.00 C ATOM 166 C ARG A 11 -17.068 -2.039 -2.126 1.00 0.00 C ATOM 167 O ARG A 11 -17.424 -1.864 -3.290 1.00 0.00 O ATOM 168 CB ARG A 11 -18.488 -0.694 -0.555 1.00 0.00 C ATOM 169 CG ARG A 11 -19.033 0.181 -1.672 1.00 0.00 C ATOM 170 CD ARG A 11 -19.365 1.575 -1.169 1.00 0.00 C ATOM 171 NE ARG A 11 -19.565 2.523 -2.263 1.00 0.00 N ATOM 172 CZ ARG A 11 -19.758 3.829 -2.091 1.00 0.00 C ATOM 173 NH1 ARG A 11 -19.782 4.344 -0.870 1.00 0.00 N ATOM 174 NH2 ARG A 11 -19.930 4.617 -3.146 1.00 0.00 N ATOM 0 H ARG A 11 -17.107 -2.234 0.847 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.967 -2.633 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.241 -0.771 0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.619 -0.203 -0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.300 0.247 -2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.927 -0.278 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.266 1.534 -0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.559 1.929 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.556 2.162 -3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.652 3.739 -0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.930 5.345 -0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.914 4.221 -4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.078 5.618 -3.016 1.00 0.00 H new ATOM 188 N HIS A 12 -15.800 -2.201 -1.786 1.00 0.00 N ATOM 189 CA HIS A 12 -14.739 -2.143 -2.778 1.00 0.00 C ATOM 190 C HIS A 12 -14.117 -3.514 -2.981 1.00 0.00 C ATOM 191 O HIS A 12 -14.171 -4.364 -2.096 1.00 0.00 O ATOM 192 CB HIS A 12 -13.666 -1.138 -2.367 1.00 0.00 C ATOM 193 CG HIS A 12 -14.092 0.284 -2.534 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.228 1.159 -1.479 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.418 0.987 -3.645 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.619 2.334 -1.935 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.737 2.257 -3.245 1.00 0.00 N ATOM 0 H HIS A 12 -15.481 -2.373 -0.833 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.179 -1.816 -3.720 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.398 -1.309 -1.324 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.768 -1.313 -2.960 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.425 0.615 -4.659 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.810 3.211 -1.335 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.020 3.019 -3.861 1.00 0.00 H new ATOM 206 N HIS A 13 -13.530 -3.724 -4.147 1.00 0.00 N ATOM 207 CA HIS A 13 -12.895 -5.000 -4.468 1.00 0.00 C ATOM 208 C HIS A 13 -11.398 -4.813 -4.677 1.00 0.00 C ATOM 209 O HIS A 13 -10.605 -5.723 -4.436 1.00 0.00 O ATOM 210 CB HIS A 13 -13.546 -5.620 -5.709 1.00 0.00 C ATOM 211 CG HIS A 13 -15.012 -5.872 -5.540 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.523 -6.667 -4.540 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.081 -5.400 -6.225 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.837 -6.680 -4.618 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.202 -5.919 -5.632 1.00 0.00 N ATOM 0 H HIS A 13 -13.478 -3.029 -4.891 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.037 -5.682 -3.630 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.393 -4.958 -6.561 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.046 -6.560 -5.942 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.055 -4.739 -7.078 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.503 -7.222 -3.963 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.163 -5.745 -5.927 1.00 0.00 H new ATOM 224 N PHE A 14 -11.018 -3.624 -5.118 1.00 0.00 N ATOM 225 CA PHE A 14 -9.617 -3.307 -5.339 1.00 0.00 C ATOM 226 C PHE A 14 -9.282 -1.979 -4.669 1.00 0.00 C ATOM 227 O PHE A 14 -10.158 -1.131 -4.483 1.00 0.00 O ATOM 228 CB PHE A 14 -9.273 -3.289 -6.838 1.00 0.00 C ATOM 229 CG PHE A 14 -9.970 -2.228 -7.651 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.253 -2.433 -8.134 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.328 -1.037 -7.951 1.00 0.00 C ATOM 232 CE1 PHE A 14 -11.883 -1.466 -8.895 1.00 0.00 C ATOM 233 CE2 PHE A 14 -9.953 -0.069 -8.714 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.232 -0.283 -9.184 1.00 0.00 C ATOM 0 H PHE A 14 -11.662 -2.862 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.005 -4.088 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.197 -3.155 -6.944 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.516 -4.264 -7.260 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.766 -3.358 -7.914 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.327 -0.863 -7.584 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.884 -1.636 -9.263 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.441 0.854 -8.942 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.724 0.474 -9.777 1.00 0.00 H new ATOM 244 N LEU A 15 -8.025 -1.807 -4.294 1.00 0.00 N ATOM 245 CA LEU A 15 -7.589 -0.593 -3.615 1.00 0.00 C ATOM 246 C LEU A 15 -7.410 0.558 -4.596 1.00 0.00 C ATOM 247 O LEU A 15 -7.712 1.709 -4.276 1.00 0.00 O ATOM 248 CB LEU A 15 -6.279 -0.842 -2.868 1.00 0.00 C ATOM 249 CG LEU A 15 -6.249 -2.097 -1.993 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.924 -2.193 -1.256 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.405 -2.092 -1.006 1.00 0.00 C ATOM 0 H LEU A 15 -7.286 -2.493 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.365 -0.317 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.472 -0.909 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.069 0.023 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.355 -2.969 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.916 -3.090 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.109 -2.243 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.795 -1.315 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.365 -2.993 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.332 -1.214 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.349 -2.066 -1.551 1.00 0.00 H new ATOM 263 N GLY A 16 -6.925 0.239 -5.790 1.00 0.00 N ATOM 264 CA GLY A 16 -6.706 1.253 -6.800 1.00 0.00 C ATOM 265 C GLY A 16 -5.457 2.071 -6.540 1.00 0.00 C ATOM 266 O GLY A 16 -5.501 3.296 -6.573 1.00 0.00 O ATOM 0 H GLY A 16 -6.679 -0.709 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.628 0.777 -7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.570 1.917 -6.837 1.00 0.00 H new ATOM 270 N ILE A 17 -4.344 1.396 -6.293 1.00 0.00 N ATOM 271 CA ILE A 17 -3.071 2.076 -6.026 1.00 0.00 C ATOM 272 C ILE A 17 -1.910 1.229 -6.511 1.00 0.00 C ATOM 273 O ILE A 17 -1.558 0.235 -5.880 1.00 0.00 O ATOM 274 CB ILE A 17 -2.855 2.374 -4.524 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.446 1.257 -3.657 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.450 3.723 -4.152 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.786 1.131 -2.302 1.00 0.00 C ATOM 0 H ILE A 17 -4.290 0.378 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.114 3.024 -6.563 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.782 2.414 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.511 1.441 -3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.353 0.309 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.287 3.913 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.970 4.506 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.520 3.718 -4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.255 0.321 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.725 0.916 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.902 2.065 -1.753 1.00 0.00 H new ATOM 289 N SER A 18 -1.320 1.602 -7.633 1.00 0.00 N ATOM 290 CA SER A 18 -0.216 0.834 -8.177 1.00 0.00 C ATOM 291 C SER A 18 1.070 1.105 -7.406 1.00 0.00 C ATOM 292 O SER A 18 1.596 2.217 -7.403 1.00 0.00 O ATOM 293 CB SER A 18 -0.059 1.110 -9.674 1.00 0.00 C ATOM 294 OG SER A 18 0.016 2.504 -9.931 1.00 0.00 O ATOM 0 H SER A 18 -1.583 2.422 -8.179 1.00 0.00 H new ATOM 0 HA SER A 18 -0.438 -0.227 -8.061 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.841 0.620 -10.045 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.902 0.682 -10.216 1.00 0.00 H new ATOM 0 HG SER A 18 0.118 2.654 -10.894 1.00 0.00 H new ATOM 300 N ILE A 19 1.547 0.070 -6.732 1.00 0.00 N ATOM 301 CA ILE A 19 2.752 0.156 -5.922 1.00 0.00 C ATOM 302 C ILE A 19 4.004 0.227 -6.792 1.00 0.00 C ATOM 303 O ILE A 19 4.155 -0.536 -7.746 1.00 0.00 O ATOM 304 CB ILE A 19 2.882 -1.062 -4.977 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.509 -1.521 -4.464 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.799 -0.732 -3.809 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.753 -0.460 -3.688 1.00 0.00 C ATOM 0 H ILE A 19 1.110 -0.852 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 19 2.665 1.069 -5.333 1.00 0.00 H new ATOM 0 HB ILE A 19 3.318 -1.882 -5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.903 -1.837 -5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.644 -2.395 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.880 -1.599 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.787 -0.468 -4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.388 0.108 -3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.206 -0.862 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.337 -0.160 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.583 0.407 -4.327 1.00 0.00 H new ATOM 319 N VAL A 20 4.891 1.153 -6.462 1.00 0.00 N ATOM 320 CA VAL A 20 6.142 1.312 -7.188 1.00 0.00 C ATOM 321 C VAL A 20 7.316 1.250 -6.219 1.00 0.00 C ATOM 322 O VAL A 20 7.507 2.153 -5.400 1.00 0.00 O ATOM 323 CB VAL A 20 6.198 2.642 -7.974 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.494 2.745 -8.764 1.00 0.00 C ATOM 325 CG2 VAL A 20 4.998 2.769 -8.904 1.00 0.00 C ATOM 0 H VAL A 20 4.767 1.810 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 20 6.203 0.496 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 20 6.166 3.462 -7.256 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.513 3.688 -9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.341 2.704 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.557 1.916 -9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.057 3.712 -9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.998 1.941 -9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.079 2.745 -8.318 1.00 0.00 H new ATOM 335 N GLY A 21 8.085 0.173 -6.301 1.00 0.00 N ATOM 336 CA GLY A 21 9.233 0.007 -5.429 1.00 0.00 C ATOM 337 C GLY A 21 10.426 0.813 -5.892 1.00 0.00 C ATOM 338 O GLY A 21 10.848 0.699 -7.044 1.00 0.00 O ATOM 0 H GLY A 21 7.934 -0.592 -6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.964 0.309 -4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.504 -1.048 -5.386 1.00 0.00 H new ATOM 342 N GLN A 22 10.964 1.635 -5.004 1.00 0.00 N ATOM 343 CA GLN A 22 12.114 2.461 -5.334 1.00 0.00 C ATOM 344 C GLN A 22 13.396 1.646 -5.226 1.00 0.00 C ATOM 345 O GLN A 22 13.766 1.196 -4.142 1.00 0.00 O ATOM 346 CB GLN A 22 12.184 3.680 -4.409 1.00 0.00 C ATOM 347 CG GLN A 22 13.307 4.647 -4.757 1.00 0.00 C ATOM 348 CD GLN A 22 13.358 5.856 -3.838 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.048 5.657 -2.566 1.00 0.00 O flip ATOM 350 NE2 GLN A 22 13.684 6.962 -4.268 1.00 0.00 N flip ATOM 0 H GLN A 22 10.622 1.747 -4.050 1.00 0.00 H new ATOM 0 HA GLN A 22 12.004 2.811 -6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.233 4.211 -4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.315 3.339 -3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.260 4.120 -4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.182 4.985 -5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.916 7.077 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.722 7.763 -3.638 1.00 0.00 H new ATOM 359 N SER A 23 14.048 1.431 -6.352 1.00 0.00 N ATOM 360 CA SER A 23 15.292 0.687 -6.379 1.00 0.00 C ATOM 361 C SER A 23 16.472 1.652 -6.387 1.00 0.00 C ATOM 362 O SER A 23 16.361 2.780 -6.867 1.00 0.00 O ATOM 363 CB SER A 23 15.330 -0.228 -7.600 1.00 0.00 C ATOM 364 OG SER A 23 14.166 -1.041 -7.651 1.00 0.00 O ATOM 0 H SER A 23 13.735 1.763 -7.264 1.00 0.00 H new ATOM 0 HA SER A 23 15.359 0.066 -5.486 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.402 0.371 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.219 -0.858 -7.562 1.00 0.00 H new ATOM 0 HG SER A 23 14.206 -1.620 -8.441 1.00 0.00 H new ATOM 370 N ASN A 24 17.593 1.210 -5.842 1.00 0.00 N ATOM 371 CA ASN A 24 18.788 2.037 -5.765 1.00 0.00 C ATOM 372 C ASN A 24 20.022 1.144 -5.764 1.00 0.00 C ATOM 373 O ASN A 24 19.897 -0.075 -5.901 1.00 0.00 O ATOM 374 CB ASN A 24 18.737 2.899 -4.496 1.00 0.00 C ATOM 375 CG ASN A 24 19.754 4.028 -4.492 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.184 4.495 -5.545 1.00 0.00 O ATOM 377 ND2 ASN A 24 20.150 4.472 -3.308 1.00 0.00 N ATOM 0 H ASN A 24 17.702 0.277 -5.444 1.00 0.00 H new ATOM 0 HA ASN A 24 18.837 2.699 -6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.737 3.320 -4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 24 18.907 2.264 -3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 24 20.834 5.226 -3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 24 19.771 4.060 -2.456 1.00 0.00 H new ATOM 384 N ASP A 25 21.202 1.744 -5.607 1.00 0.00 N ATOM 385 CA ASP A 25 22.454 0.992 -5.579 1.00 0.00 C ATOM 386 C ASP A 25 22.418 -0.051 -4.471 1.00 0.00 C ATOM 387 O ASP A 25 23.006 -1.125 -4.590 1.00 0.00 O ATOM 388 CB ASP A 25 23.641 1.931 -5.375 1.00 0.00 C ATOM 389 CG ASP A 25 24.846 1.511 -6.191 1.00 0.00 C ATOM 390 OD1 ASP A 25 24.883 1.812 -7.406 1.00 0.00 O ATOM 391 OD2 ASP A 25 25.762 0.877 -5.626 1.00 0.00 O ATOM 0 H ASP A 25 21.316 2.752 -5.497 1.00 0.00 H new ATOM 0 HA ASP A 25 22.572 0.486 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.352 2.945 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 25 23.909 1.952 -4.319 1.00 0.00 H new ATOM 396 N ARG A 26 21.722 0.280 -3.389 1.00 0.00 N ATOM 397 CA ARG A 26 21.572 -0.634 -2.270 1.00 0.00 C ATOM 398 C ARG A 26 20.354 -1.521 -2.511 1.00 0.00 C ATOM 399 O ARG A 26 20.485 -2.733 -2.694 1.00 0.00 O ATOM 400 CB ARG A 26 21.424 0.143 -0.960 1.00 0.00 C ATOM 401 CG ARG A 26 22.676 0.906 -0.556 1.00 0.00 C ATOM 402 CD ARG A 26 23.810 -0.037 -0.181 1.00 0.00 C ATOM 403 NE ARG A 26 24.939 0.675 0.422 1.00 0.00 N ATOM 404 CZ ARG A 26 25.038 0.947 1.722 1.00 0.00 C ATOM 405 NH1 ARG A 26 24.077 0.564 2.558 1.00 0.00 N ATOM 406 NH2 ARG A 26 26.099 1.591 2.187 1.00 0.00 N ATOM 0 H ARG A 26 21.253 1.177 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 26 22.462 -1.258 -2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.596 0.846 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.160 -0.553 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.993 1.548 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.449 1.557 0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.441 -0.788 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 26 24.149 -0.568 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 26 25.695 0.981 -0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.263 0.061 2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.154 0.773 3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.841 1.879 1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.174 1.799 3.183 1.00 0.00 H new ATOM 420 N GLY A 27 19.169 -0.911 -2.532 1.00 0.00 N ATOM 421 CA GLY A 27 17.955 -1.670 -2.782 1.00 0.00 C ATOM 422 C GLY A 27 16.840 -1.343 -1.809 1.00 0.00 C ATOM 423 O GLY A 27 15.663 -1.563 -2.105 1.00 0.00 O ATOM 0 H GLY A 27 19.029 0.088 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.613 -1.473 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.180 -2.735 -2.723 1.00 0.00 H new ATOM 427 N ASP A 28 17.205 -0.800 -0.658 1.00 0.00 N ATOM 428 CA ASP A 28 16.234 -0.450 0.378 1.00 0.00 C ATOM 429 C ASP A 28 15.592 0.911 0.109 1.00 0.00 C ATOM 430 O ASP A 28 15.586 1.800 0.965 1.00 0.00 O ATOM 431 CB ASP A 28 16.900 -0.468 1.765 1.00 0.00 C ATOM 432 CG ASP A 28 18.044 0.524 1.903 1.00 0.00 C ATOM 433 OD1 ASP A 28 18.771 0.753 0.913 1.00 0.00 O ATOM 434 OD2 ASP A 28 18.221 1.078 3.010 1.00 0.00 O ATOM 0 H ASP A 28 18.172 -0.589 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 28 15.442 -1.198 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.148 -0.250 2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.274 -1.472 1.966 1.00 0.00 H new ATOM 439 N GLY A 29 15.032 1.062 -1.079 1.00 0.00 N ATOM 440 CA GLY A 29 14.390 2.307 -1.445 1.00 0.00 C ATOM 441 C GLY A 29 13.007 2.449 -0.840 1.00 0.00 C ATOM 442 O GLY A 29 12.609 3.544 -0.447 1.00 0.00 O ATOM 0 H GLY A 29 15.010 0.341 -1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.012 3.141 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.316 2.368 -2.531 1.00 0.00 H new ATOM 446 N GLY A 30 12.275 1.345 -0.776 1.00 0.00 N ATOM 447 CA GLY A 30 10.940 1.368 -0.209 1.00 0.00 C ATOM 448 C GLY A 30 9.861 1.421 -1.276 1.00 0.00 C ATOM 449 O GLY A 30 10.108 1.866 -2.398 1.00 0.00 O ATOM 0 H GLY A 30 12.583 0.431 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.794 0.481 0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.841 2.233 0.447 1.00 0.00 H new ATOM 453 N ILE A 31 8.663 0.967 -0.930 1.00 0.00 N ATOM 454 CA ILE A 31 7.547 0.963 -1.866 1.00 0.00 C ATOM 455 C ILE A 31 6.728 2.243 -1.751 1.00 0.00 C ATOM 456 O ILE A 31 6.338 2.657 -0.656 1.00 0.00 O ATOM 457 CB ILE A 31 6.631 -0.258 -1.653 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.424 -0.525 -0.159 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.223 -1.480 -2.337 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.271 -1.460 0.138 1.00 0.00 C ATOM 0 H ILE A 31 8.440 0.596 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 31 7.974 0.904 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 31 5.658 -0.045 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.339 -0.948 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.252 0.423 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.568 -2.337 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.320 -1.288 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.206 -1.692 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.186 -1.602 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.346 -1.030 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.450 -2.422 -0.342 1.00 0.00 H new ATOM 472 N TYR A 32 6.486 2.872 -2.888 1.00 0.00 N ATOM 473 CA TYR A 32 5.726 4.110 -2.930 1.00 0.00 C ATOM 474 C TYR A 32 4.437 3.935 -3.722 1.00 0.00 C ATOM 475 O TYR A 32 4.262 2.946 -4.436 1.00 0.00 O ATOM 476 CB TYR A 32 6.554 5.227 -3.578 1.00 0.00 C ATOM 477 CG TYR A 32 7.734 5.695 -2.756 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.855 4.892 -2.594 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.731 6.947 -2.152 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.939 5.319 -1.855 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.814 7.382 -1.410 1.00 0.00 C ATOM 482 CZ TYR A 32 9.914 6.564 -1.265 1.00 0.00 C ATOM 483 OH TYR A 32 11.002 6.994 -0.539 1.00 0.00 O ATOM 0 H TYR A 32 6.807 2.544 -3.799 1.00 0.00 H new ATOM 0 HA TYR A 32 5.483 4.379 -1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.917 4.878 -4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.902 6.079 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.879 3.916 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.870 7.590 -2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.803 4.681 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.798 8.357 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 32 11.826 6.681 -0.968 1.00 0.00 H new ATOM 493 N ILE A 33 3.542 4.902 -3.582 1.00 0.00 N ATOM 494 CA ILE A 33 2.277 4.897 -4.302 1.00 0.00 C ATOM 495 C ILE A 33 2.463 5.561 -5.661 1.00 0.00 C ATOM 496 O ILE A 33 2.815 6.741 -5.739 1.00 0.00 O ATOM 497 CB ILE A 33 1.172 5.634 -3.509 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.932 4.946 -2.162 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.118 5.703 -4.316 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.449 3.512 -2.277 1.00 0.00 C ATOM 0 H ILE A 33 3.671 5.708 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 33 1.964 3.861 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 33 1.507 6.654 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.859 4.961 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.198 5.521 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.881 6.225 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.064 6.240 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.461 4.693 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.303 3.096 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.495 3.489 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.191 2.920 -2.812 1.00 0.00 H new ATOM 512 N GLY A 34 2.256 4.795 -6.720 1.00 0.00 N ATOM 513 CA GLY A 34 2.419 5.318 -8.058 1.00 0.00 C ATOM 514 C GLY A 34 1.198 6.055 -8.559 1.00 0.00 C ATOM 515 O GLY A 34 1.176 7.283 -8.572 1.00 0.00 O ATOM 0 H GLY A 34 1.976 3.815 -6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.276 5.992 -8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.645 4.496 -8.738 1.00 0.00 H new ATOM 519 N SER A 35 0.185 5.312 -8.972 1.00 0.00 N ATOM 520 CA SER A 35 -1.032 5.918 -9.491 1.00 0.00 C ATOM 521 C SER A 35 -2.267 5.407 -8.756 1.00 0.00 C ATOM 522 O SER A 35 -2.289 4.272 -8.276 1.00 0.00 O ATOM 523 CB SER A 35 -1.161 5.621 -10.985 1.00 0.00 C ATOM 524 OG SER A 35 0.022 5.980 -11.682 1.00 0.00 O ATOM 0 H SER A 35 0.180 4.292 -8.959 1.00 0.00 H new ATOM 0 HA SER A 35 -0.966 6.994 -9.333 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.365 4.560 -11.132 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.009 6.169 -11.396 1.00 0.00 H new ATOM 0 HG SER A 35 -0.086 5.778 -12.635 1.00 0.00 H new ATOM 530 N ILE A 36 -3.288 6.255 -8.669 1.00 0.00 N ATOM 531 CA ILE A 36 -4.534 5.895 -8.008 1.00 0.00 C ATOM 532 C ILE A 36 -5.616 5.628 -9.048 1.00 0.00 C ATOM 533 O ILE A 36 -5.820 6.426 -9.962 1.00 0.00 O ATOM 534 CB ILE A 36 -5.001 7.003 -7.036 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.992 7.160 -5.895 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.391 6.696 -6.486 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.395 8.190 -4.864 1.00 0.00 C ATOM 0 H ILE A 36 -3.274 7.201 -9.051 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.355 4.991 -7.426 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.059 7.943 -7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.862 6.197 -5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.024 7.437 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.696 7.490 -5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.102 6.631 -7.310 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.369 5.747 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.632 8.245 -4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.497 9.164 -5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.347 7.904 -4.417 1.00 0.00 H new ATOM 549 N MET A 37 -6.297 4.505 -8.902 1.00 0.00 N ATOM 550 CA MET A 37 -7.347 4.118 -9.835 1.00 0.00 C ATOM 551 C MET A 37 -8.714 4.529 -9.304 1.00 0.00 C ATOM 552 O MET A 37 -9.048 4.259 -8.148 1.00 0.00 O ATOM 553 CB MET A 37 -7.318 2.604 -10.080 1.00 0.00 C ATOM 554 CG MET A 37 -5.924 2.044 -10.328 1.00 0.00 C ATOM 555 SD MET A 37 -5.092 2.800 -11.740 1.00 0.00 S ATOM 556 CE MET A 37 -3.434 2.155 -11.530 1.00 0.00 C ATOM 0 H MET A 37 -6.143 3.841 -8.144 1.00 0.00 H new ATOM 0 HA MET A 37 -7.167 4.632 -10.779 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.754 2.098 -9.218 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.949 2.373 -10.938 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.316 2.192 -9.435 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.996 0.969 -10.490 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.794 2.531 -12.328 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.039 2.475 -10.566 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.460 1.066 -11.568 1.00 0.00 H new ATOM 566 N LYS A 38 -9.497 5.190 -10.147 1.00 0.00 N ATOM 567 CA LYS A 38 -10.828 5.640 -9.768 1.00 0.00 C ATOM 568 C LYS A 38 -11.755 4.440 -9.603 1.00 0.00 C ATOM 569 O LYS A 38 -11.902 3.622 -10.513 1.00 0.00 O ATOM 570 CB LYS A 38 -11.384 6.612 -10.813 1.00 0.00 C ATOM 571 CG LYS A 38 -12.223 7.733 -10.222 1.00 0.00 C ATOM 572 CD LYS A 38 -11.371 8.727 -9.446 1.00 0.00 C ATOM 573 CE LYS A 38 -12.188 9.927 -8.987 1.00 0.00 C ATOM 574 NZ LYS A 38 -13.190 9.567 -7.946 1.00 0.00 N ATOM 0 H LYS A 38 -9.230 5.427 -11.103 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.764 6.166 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.554 7.047 -11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.990 6.055 -11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.750 8.253 -11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.981 7.311 -9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.932 8.232 -8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.546 9.066 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.517 10.691 -8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.700 10.364 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.721 10.417 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.848 8.858 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.702 9.175 -7.116 1.00 0.00 H new ATOM 588 N GLY A 39 -12.382 4.344 -8.440 1.00 0.00 N ATOM 589 CA GLY A 39 -13.265 3.228 -8.161 1.00 0.00 C ATOM 590 C GLY A 39 -12.655 2.304 -7.133 1.00 0.00 C ATOM 591 O GLY A 39 -13.282 1.341 -6.687 1.00 0.00 O ATOM 0 H GLY A 39 -12.295 5.021 -7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.224 3.599 -7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.463 2.677 -9.080 1.00 0.00 H new ATOM 595 N GLY A 40 -11.410 2.595 -6.770 1.00 0.00 N ATOM 596 CA GLY A 40 -10.717 1.794 -5.787 1.00 0.00 C ATOM 597 C GLY A 40 -11.007 2.257 -4.375 1.00 0.00 C ATOM 598 O GLY A 40 -11.559 3.339 -4.172 1.00 0.00 O ATOM 0 H GLY A 40 -10.870 3.376 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.013 0.751 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.644 1.841 -5.971 1.00 0.00 H new ATOM 602 N ALA A 41 -10.626 1.443 -3.402 1.00 0.00 N ATOM 603 CA ALA A 41 -10.851 1.754 -1.998 1.00 0.00 C ATOM 604 C ALA A 41 -10.126 3.032 -1.574 1.00 0.00 C ATOM 605 O ALA A 41 -10.659 3.826 -0.799 1.00 0.00 O ATOM 606 CB ALA A 41 -10.415 0.587 -1.129 1.00 0.00 C ATOM 0 H ALA A 41 -10.155 0.553 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.919 1.925 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.587 0.830 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.990 -0.300 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.354 0.392 -1.287 1.00 0.00 H new ATOM 612 N VAL A 42 -8.918 3.230 -2.095 1.00 0.00 N ATOM 613 CA VAL A 42 -8.123 4.408 -1.755 1.00 0.00 C ATOM 614 C VAL A 42 -8.735 5.671 -2.351 1.00 0.00 C ATOM 615 O VAL A 42 -8.705 6.740 -1.740 1.00 0.00 O ATOM 616 CB VAL A 42 -6.663 4.267 -2.243 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.865 5.537 -1.966 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.001 3.068 -1.585 1.00 0.00 C ATOM 0 H VAL A 42 -8.469 2.592 -2.752 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.122 4.488 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.680 4.111 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.842 5.408 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.326 6.377 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.856 5.734 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.973 2.981 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.003 3.199 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.551 2.162 -1.842 1.00 0.00 H new ATOM 628 N ALA A 43 -9.316 5.533 -3.536 1.00 0.00 N ATOM 629 CA ALA A 43 -9.941 6.658 -4.223 1.00 0.00 C ATOM 630 C ALA A 43 -11.146 7.188 -3.446 1.00 0.00 C ATOM 631 O ALA A 43 -11.633 8.286 -3.711 1.00 0.00 O ATOM 632 CB ALA A 43 -10.356 6.248 -5.627 1.00 0.00 C ATOM 0 H ALA A 43 -9.368 4.650 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.208 7.462 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.821 7.095 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.477 5.930 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.067 5.424 -5.570 1.00 0.00 H new ATOM 638 N ALA A 44 -11.626 6.403 -2.493 1.00 0.00 N ATOM 639 CA ALA A 44 -12.768 6.797 -1.682 1.00 0.00 C ATOM 640 C ALA A 44 -12.325 7.461 -0.382 1.00 0.00 C ATOM 641 O ALA A 44 -13.154 7.859 0.437 1.00 0.00 O ATOM 642 CB ALA A 44 -13.642 5.593 -1.388 1.00 0.00 C ATOM 0 H ALA A 44 -11.241 5.487 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.346 7.527 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.493 5.901 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.000 5.166 -2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.062 4.845 -0.847 1.00 0.00 H new ATOM 648 N ASP A 45 -11.017 7.571 -0.191 1.00 0.00 N ATOM 649 CA ASP A 45 -10.478 8.196 1.011 1.00 0.00 C ATOM 650 C ASP A 45 -10.016 9.612 0.703 1.00 0.00 C ATOM 651 O ASP A 45 -10.633 10.584 1.137 1.00 0.00 O ATOM 652 CB ASP A 45 -9.320 7.380 1.593 1.00 0.00 C ATOM 653 CG ASP A 45 -8.956 7.839 2.990 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.311 8.900 3.130 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.327 7.146 3.959 1.00 0.00 O ATOM 0 H ASP A 45 -10.312 7.238 -0.849 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.273 8.231 1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.594 6.325 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.450 7.469 0.943 1.00 0.00 H new ATOM 660 N GLY A 46 -8.928 9.723 -0.048 1.00 0.00 N ATOM 661 CA GLY A 46 -8.415 11.029 -0.416 1.00 0.00 C ATOM 662 C GLY A 46 -7.111 11.393 0.273 1.00 0.00 C ATOM 663 O GLY A 46 -6.332 12.188 -0.259 1.00 0.00 O ATOM 0 H GLY A 46 -8.392 8.934 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.265 11.059 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.164 11.784 -0.177 1.00 0.00 H new ATOM 667 N ARG A 47 -6.864 10.819 1.448 1.00 0.00 N ATOM 668 CA ARG A 47 -5.646 11.117 2.203 1.00 0.00 C ATOM 669 C ARG A 47 -4.397 10.643 1.470 1.00 0.00 C ATOM 670 O ARG A 47 -3.366 11.319 1.489 1.00 0.00 O ATOM 671 CB ARG A 47 -5.703 10.485 3.591 1.00 0.00 C ATOM 672 CG ARG A 47 -6.422 11.346 4.616 1.00 0.00 C ATOM 673 CD ARG A 47 -6.675 10.586 5.907 1.00 0.00 C ATOM 674 NE ARG A 47 -7.653 9.512 5.726 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.334 8.946 6.721 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.113 9.324 7.975 1.00 0.00 N ATOM 677 NH2 ARG A 47 -9.216 7.987 6.462 1.00 0.00 N ATOM 0 H ARG A 47 -7.487 10.148 1.898 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.588 12.201 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.204 9.520 3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.687 10.293 3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.827 12.235 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.371 11.688 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.737 10.166 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.032 11.277 6.671 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.824 9.176 4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.422 10.047 8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.634 8.891 8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.372 7.684 5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.737 7.554 7.224 1.00 0.00 H new ATOM 691 N ILE A 48 -4.485 9.488 0.827 1.00 0.00 N ATOM 692 CA ILE A 48 -3.347 8.942 0.097 1.00 0.00 C ATOM 693 C ILE A 48 -3.298 9.515 -1.316 1.00 0.00 C ATOM 694 O ILE A 48 -4.333 9.679 -1.962 1.00 0.00 O ATOM 695 CB ILE A 48 -3.395 7.398 0.019 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.650 6.799 1.406 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.095 6.855 -0.566 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.565 5.289 1.443 1.00 0.00 C ATOM 0 H ILE A 48 -5.327 8.913 0.795 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.449 9.228 0.645 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.217 7.110 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.926 7.212 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.638 7.107 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.144 5.767 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.952 7.257 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.259 7.153 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.757 4.939 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.308 4.866 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.569 4.973 1.132 1.00 0.00 H new ATOM 710 N GLU A 49 -2.099 9.831 -1.782 1.00 0.00 N ATOM 711 CA GLU A 49 -1.916 10.382 -3.113 1.00 0.00 C ATOM 712 C GLU A 49 -0.582 9.914 -3.698 1.00 0.00 C ATOM 713 O GLU A 49 0.283 9.428 -2.964 1.00 0.00 O ATOM 714 CB GLU A 49 -1.979 11.915 -3.062 1.00 0.00 C ATOM 715 CG GLU A 49 -0.811 12.567 -2.343 1.00 0.00 C ATOM 716 CD GLU A 49 -1.129 13.977 -1.901 1.00 0.00 C ATOM 717 OE1 GLU A 49 -1.462 14.821 -2.765 1.00 0.00 O ATOM 718 OE2 GLU A 49 -1.057 14.250 -0.685 1.00 0.00 O ATOM 0 H GLU A 49 -1.235 9.714 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.718 10.025 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.023 12.299 -4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.905 12.212 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.541 11.967 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.057 12.582 -3.002 1.00 0.00 H new ATOM 725 N PRO A 50 -0.409 10.017 -5.030 1.00 0.00 N ATOM 726 CA PRO A 50 0.833 9.609 -5.698 1.00 0.00 C ATOM 727 C PRO A 50 2.056 10.290 -5.092 1.00 0.00 C ATOM 728 O PRO A 50 2.185 11.515 -5.145 1.00 0.00 O ATOM 729 CB PRO A 50 0.627 10.067 -7.143 1.00 0.00 C ATOM 730 CG PRO A 50 -0.849 10.104 -7.320 1.00 0.00 C ATOM 731 CD PRO A 50 -1.406 10.527 -5.990 1.00 0.00 C ATOM 0 HA PRO A 50 1.020 8.539 -5.602 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.071 11.047 -7.315 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.093 9.378 -7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.132 10.806 -8.104 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.233 9.127 -7.613 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.512 11.610 -5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.392 10.099 -5.812 1.00 0.00 H new ATOM 739 N GLY A 51 2.943 9.492 -4.516 1.00 0.00 N ATOM 740 CA GLY A 51 4.135 10.034 -3.895 1.00 0.00 C ATOM 741 C GLY A 51 4.296 9.572 -2.462 1.00 0.00 C ATOM 742 O GLY A 51 5.389 9.656 -1.894 1.00 0.00 O ATOM 0 H GLY A 51 2.859 8.477 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.010 9.735 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.093 11.123 -3.921 1.00 0.00 H new ATOM 746 N ASP A 52 3.206 9.091 -1.875 1.00 0.00 N ATOM 747 CA ASP A 52 3.226 8.603 -0.500 1.00 0.00 C ATOM 748 C ASP A 52 3.980 7.281 -0.425 1.00 0.00 C ATOM 749 O ASP A 52 3.951 6.487 -1.367 1.00 0.00 O ATOM 750 CB ASP A 52 1.801 8.414 0.039 1.00 0.00 C ATOM 751 CG ASP A 52 1.021 9.712 0.137 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.643 10.792 0.187 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.223 9.659 0.174 1.00 0.00 O ATOM 0 H ASP A 52 2.295 9.028 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 52 3.733 9.347 0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.263 7.723 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.851 7.952 1.025 1.00 0.00 H new ATOM 758 N MET A 53 4.665 7.054 0.685 1.00 0.00 N ATOM 759 CA MET A 53 5.428 5.825 0.880 1.00 0.00 C ATOM 760 C MET A 53 4.701 4.895 1.843 1.00 0.00 C ATOM 761 O MET A 53 4.191 5.338 2.870 1.00 0.00 O ATOM 762 CB MET A 53 6.825 6.151 1.414 1.00 0.00 C ATOM 763 CG MET A 53 7.681 4.928 1.710 1.00 0.00 C ATOM 764 SD MET A 53 9.330 5.362 2.299 1.00 0.00 S ATOM 765 CE MET A 53 9.926 3.763 2.848 1.00 0.00 C ATOM 0 H MET A 53 4.710 7.705 1.469 1.00 0.00 H new ATOM 0 HA MET A 53 5.527 5.321 -0.081 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.343 6.776 0.686 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.725 6.740 2.326 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.182 4.312 2.459 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.769 4.323 0.807 1.00 0.00 H new ATOM 0 HE1 MET A 53 11.014 3.739 2.784 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.619 3.595 3.880 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.508 2.981 2.213 1.00 0.00 H new ATOM 775 N LEU A 54 4.652 3.614 1.511 1.00 0.00 N ATOM 776 CA LEU A 54 3.980 2.633 2.354 1.00 0.00 C ATOM 777 C LEU A 54 4.937 2.090 3.406 1.00 0.00 C ATOM 778 O LEU A 54 6.028 1.615 3.080 1.00 0.00 O ATOM 779 CB LEU A 54 3.427 1.488 1.502 1.00 0.00 C ATOM 780 CG LEU A 54 1.961 1.629 1.088 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.610 0.595 0.029 1.00 0.00 C ATOM 782 CD2 LEU A 54 1.047 1.491 2.296 1.00 0.00 C ATOM 0 H LEU A 54 5.069 3.228 0.664 1.00 0.00 H new ATOM 0 HA LEU A 54 3.150 3.125 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.035 1.401 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.543 0.556 2.056 1.00 0.00 H new ATOM 0 HG LEU A 54 1.815 2.622 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.564 0.707 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.243 0.742 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.772 -0.406 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.009 1.594 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.192 0.512 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.284 2.268 3.023 1.00 0.00 H new ATOM 794 N LEU A 55 4.531 2.172 4.664 1.00 0.00 N ATOM 795 CA LEU A 55 5.362 1.694 5.759 1.00 0.00 C ATOM 796 C LEU A 55 4.804 0.408 6.353 1.00 0.00 C ATOM 797 O LEU A 55 5.498 -0.607 6.433 1.00 0.00 O ATOM 798 CB LEU A 55 5.475 2.753 6.859 1.00 0.00 C ATOM 799 CG LEU A 55 5.836 4.167 6.394 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.997 5.079 7.597 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.114 4.163 5.567 1.00 0.00 C ATOM 0 H LEU A 55 3.634 2.564 4.952 1.00 0.00 H new ATOM 0 HA LEU A 55 6.352 1.493 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.525 2.798 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.227 2.425 7.576 1.00 0.00 H new ATOM 0 HG LEU A 55 5.027 4.537 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.254 6.083 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.062 5.112 8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.791 4.698 8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.346 5.180 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.935 3.774 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.977 3.532 4.689 1.00 0.00 H new ATOM 813 N GLN A 56 3.543 0.454 6.755 1.00 0.00 N ATOM 814 CA GLN A 56 2.896 -0.695 7.367 1.00 0.00 C ATOM 815 C GLN A 56 1.569 -1.005 6.683 1.00 0.00 C ATOM 816 O GLN A 56 0.820 -0.099 6.312 1.00 0.00 O ATOM 817 CB GLN A 56 2.676 -0.434 8.861 1.00 0.00 C ATOM 818 CG GLN A 56 2.066 -1.605 9.613 1.00 0.00 C ATOM 819 CD GLN A 56 1.619 -1.232 11.012 1.00 0.00 C ATOM 820 OE1 GLN A 56 0.664 -1.799 11.543 1.00 0.00 O ATOM 821 NE2 GLN A 56 2.301 -0.275 11.620 1.00 0.00 N ATOM 0 H GLN A 56 2.947 1.277 6.668 1.00 0.00 H new ATOM 0 HA GLN A 56 3.547 -1.561 7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.632 -0.181 9.319 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.028 0.435 8.975 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.212 -1.986 9.053 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.795 -2.413 9.672 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.087 0.171 11.147 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.041 0.017 12.562 1.00 0.00 H new ATOM 830 N VAL A 57 1.299 -2.291 6.502 1.00 0.00 N ATOM 831 CA VAL A 57 0.065 -2.750 5.879 1.00 0.00 C ATOM 832 C VAL A 57 -0.532 -3.889 6.694 1.00 0.00 C ATOM 833 O VAL A 57 0.018 -4.991 6.731 1.00 0.00 O ATOM 834 CB VAL A 57 0.285 -3.225 4.425 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.004 -3.782 3.834 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.824 -2.094 3.562 1.00 0.00 C ATOM 0 H VAL A 57 1.928 -3.044 6.782 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.619 -1.902 5.854 1.00 0.00 H new ATOM 0 HB VAL A 57 1.025 -4.025 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.823 -4.110 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.342 -4.629 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.770 -3.007 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.971 -2.452 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.112 -1.269 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.776 -1.750 3.966 1.00 0.00 H new ATOM 846 N ASN A 58 -1.645 -3.597 7.358 1.00 0.00 N ATOM 847 CA ASN A 58 -2.354 -4.573 8.190 1.00 0.00 C ATOM 848 C ASN A 58 -1.424 -5.267 9.177 1.00 0.00 C ATOM 849 O ASN A 58 -1.253 -6.487 9.127 1.00 0.00 O ATOM 850 CB ASN A 58 -3.071 -5.613 7.328 1.00 0.00 C ATOM 851 CG ASN A 58 -4.493 -5.207 7.013 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.747 -4.513 6.034 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.430 -5.629 7.847 1.00 0.00 N ATOM 0 H ASN A 58 -2.085 -2.677 7.337 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.095 -4.016 8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.520 -5.754 6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.074 -6.572 7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.406 -5.378 7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.176 -6.205 8.650 1.00 0.00 H new ATOM 860 N ASP A 59 -0.819 -4.465 10.054 1.00 0.00 N ATOM 861 CA ASP A 59 0.099 -4.945 11.097 1.00 0.00 C ATOM 862 C ASP A 59 1.468 -5.352 10.545 1.00 0.00 C ATOM 863 O ASP A 59 2.437 -5.433 11.300 1.00 0.00 O ATOM 864 CB ASP A 59 -0.513 -6.108 11.894 1.00 0.00 C ATOM 865 CG ASP A 59 -1.750 -5.703 12.672 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.761 -4.598 13.253 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.721 -6.491 12.706 1.00 0.00 O ATOM 0 H ASP A 59 -0.951 -3.454 10.063 1.00 0.00 H new ATOM 0 HA ASP A 59 0.255 -4.100 11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.769 -6.916 11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.233 -6.500 12.585 1.00 0.00 H new ATOM 872 N VAL A 60 1.558 -5.597 9.245 1.00 0.00 N ATOM 873 CA VAL A 60 2.820 -5.996 8.632 1.00 0.00 C ATOM 874 C VAL A 60 3.675 -4.778 8.282 1.00 0.00 C ATOM 875 O VAL A 60 3.237 -3.886 7.558 1.00 0.00 O ATOM 876 CB VAL A 60 2.588 -6.835 7.358 1.00 0.00 C ATOM 877 CG1 VAL A 60 3.912 -7.265 6.752 1.00 0.00 C ATOM 878 CG2 VAL A 60 1.724 -8.048 7.662 1.00 0.00 C ATOM 0 H VAL A 60 0.775 -5.527 8.595 1.00 0.00 H new ATOM 0 HA VAL A 60 3.348 -6.605 9.366 1.00 0.00 H new ATOM 0 HB VAL A 60 2.063 -6.213 6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.727 -7.855 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.497 -6.383 6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.465 -7.866 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.573 -8.625 6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.220 -8.670 8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.759 -7.720 8.047 1.00 0.00 H new ATOM 888 N ASN A 61 4.893 -4.743 8.805 1.00 0.00 N ATOM 889 CA ASN A 61 5.805 -3.637 8.538 1.00 0.00 C ATOM 890 C ASN A 61 6.677 -3.948 7.327 1.00 0.00 C ATOM 891 O ASN A 61 7.392 -4.948 7.310 1.00 0.00 O ATOM 892 CB ASN A 61 6.685 -3.361 9.760 1.00 0.00 C ATOM 893 CG ASN A 61 7.662 -2.218 9.532 1.00 0.00 C ATOM 894 OD1 ASN A 61 7.408 -1.316 8.737 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.783 -2.250 10.233 1.00 0.00 N ATOM 0 H ASN A 61 5.273 -5.466 9.416 1.00 0.00 H new ATOM 0 HA ASN A 61 5.212 -2.747 8.326 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.050 -3.126 10.614 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.241 -4.264 10.014 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.474 -1.508 10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.956 -3.017 10.883 1.00 0.00 H new ATOM 902 N PHE A 62 6.625 -3.087 6.321 1.00 0.00 N ATOM 903 CA PHE A 62 7.404 -3.285 5.104 1.00 0.00 C ATOM 904 C PHE A 62 8.643 -2.402 5.088 1.00 0.00 C ATOM 905 O PHE A 62 9.450 -2.465 4.160 1.00 0.00 O ATOM 906 CB PHE A 62 6.555 -2.987 3.867 1.00 0.00 C ATOM 907 CG PHE A 62 5.500 -4.022 3.586 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.790 -5.370 3.697 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.220 -3.645 3.213 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.826 -6.323 3.445 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.248 -4.596 2.960 1.00 0.00 C ATOM 912 CZ PHE A 62 3.552 -5.937 3.076 1.00 0.00 C ATOM 0 H PHE A 62 6.052 -2.243 6.322 1.00 0.00 H new ATOM 0 HA PHE A 62 7.719 -4.328 5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.074 -2.017 3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.210 -2.906 3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.784 -5.680 3.985 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.978 -2.597 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.067 -7.372 3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.253 -4.290 2.672 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.796 -6.683 2.879 1.00 0.00 H new ATOM 922 N GLU A 63 8.800 -1.586 6.124 1.00 0.00 N ATOM 923 CA GLU A 63 9.939 -0.677 6.220 1.00 0.00 C ATOM 924 C GLU A 63 11.271 -1.415 6.288 1.00 0.00 C ATOM 925 O GLU A 63 12.310 -0.845 5.962 1.00 0.00 O ATOM 926 CB GLU A 63 9.802 0.233 7.439 1.00 0.00 C ATOM 927 CG GLU A 63 8.951 1.463 7.184 1.00 0.00 C ATOM 928 CD GLU A 63 9.047 2.479 8.302 1.00 0.00 C ATOM 929 OE1 GLU A 63 10.045 3.226 8.351 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.132 2.534 9.144 1.00 0.00 O ATOM 0 H GLU A 63 8.153 -1.534 6.911 1.00 0.00 H new ATOM 0 HA GLU A 63 9.934 -0.078 5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.367 -0.336 8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.795 0.548 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.262 1.928 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.911 1.161 7.060 1.00 0.00 H new ATOM 937 N ASN A 64 11.252 -2.672 6.709 1.00 0.00 N ATOM 938 CA ASN A 64 12.483 -3.448 6.814 1.00 0.00 C ATOM 939 C ASN A 64 12.434 -4.675 5.904 1.00 0.00 C ATOM 940 O ASN A 64 13.073 -5.693 6.178 1.00 0.00 O ATOM 941 CB ASN A 64 12.724 -3.875 8.266 1.00 0.00 C ATOM 942 CG ASN A 64 14.202 -3.966 8.605 1.00 0.00 C ATOM 943 OD1 ASN A 64 14.838 -5.001 8.405 1.00 0.00 O ATOM 944 ND2 ASN A 64 14.756 -2.882 9.127 1.00 0.00 N ATOM 0 H ASN A 64 10.407 -3.174 6.981 1.00 0.00 H new ATOM 0 HA ASN A 64 13.310 -2.815 6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.244 -3.162 8.936 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.254 -4.843 8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.744 -2.885 9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.194 -2.044 9.277 1.00 0.00 H new ATOM 951 N MET A 65 11.679 -4.575 4.817 1.00 0.00 N ATOM 952 CA MET A 65 11.553 -5.680 3.874 1.00 0.00 C ATOM 953 C MET A 65 11.944 -5.230 2.472 1.00 0.00 C ATOM 954 O MET A 65 11.970 -4.037 2.183 1.00 0.00 O ATOM 955 CB MET A 65 10.122 -6.233 3.867 1.00 0.00 C ATOM 956 CG MET A 65 9.671 -6.777 5.214 1.00 0.00 C ATOM 957 SD MET A 65 8.047 -7.558 5.152 1.00 0.00 S ATOM 958 CE MET A 65 8.423 -9.064 4.256 1.00 0.00 C ATOM 0 H MET A 65 11.146 -3.742 4.567 1.00 0.00 H new ATOM 0 HA MET A 65 12.229 -6.474 4.193 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.438 -5.443 3.556 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.052 -7.026 3.123 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.403 -7.502 5.570 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.649 -5.963 5.939 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.863 -9.080 3.321 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.491 -9.102 4.041 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.144 -9.927 4.861 1.00 0.00 H new ATOM 968 N SER A 66 12.266 -6.188 1.614 1.00 0.00 N ATOM 969 CA SER A 66 12.650 -5.890 0.243 1.00 0.00 C ATOM 970 C SER A 66 11.444 -5.401 -0.556 1.00 0.00 C ATOM 971 O SER A 66 10.307 -5.752 -0.236 1.00 0.00 O ATOM 972 CB SER A 66 13.236 -7.137 -0.416 1.00 0.00 C ATOM 973 OG SER A 66 13.504 -8.147 0.548 1.00 0.00 O ATOM 0 H SER A 66 12.269 -7.181 1.845 1.00 0.00 H new ATOM 0 HA SER A 66 13.403 -5.102 0.257 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.540 -7.518 -1.163 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.156 -6.877 -0.940 1.00 0.00 H new ATOM 0 HG SER A 66 13.021 -8.965 0.307 1.00 0.00 H new ATOM 979 N ASN A 67 11.698 -4.605 -1.595 1.00 0.00 N ATOM 980 CA ASN A 67 10.630 -4.066 -2.442 1.00 0.00 C ATOM 981 C ASN A 67 9.753 -5.185 -2.987 1.00 0.00 C ATOM 982 O ASN A 67 8.525 -5.119 -2.917 1.00 0.00 O ATOM 983 CB ASN A 67 11.210 -3.265 -3.614 1.00 0.00 C ATOM 984 CG ASN A 67 11.714 -1.891 -3.213 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.207 -1.271 -2.280 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.719 -1.404 -3.923 1.00 0.00 N ATOM 0 H ASN A 67 12.637 -4.318 -1.872 1.00 0.00 H new ATOM 0 HA ASN A 67 10.025 -3.405 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.030 -3.829 -4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.445 -3.153 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.100 -0.484 -3.703 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.113 -1.949 -4.690 1.00 0.00 H new ATOM 993 N ASP A 68 10.397 -6.214 -3.525 1.00 0.00 N ATOM 994 CA ASP A 68 9.689 -7.360 -4.083 1.00 0.00 C ATOM 995 C ASP A 68 8.856 -8.054 -3.015 1.00 0.00 C ATOM 996 O ASP A 68 7.667 -8.304 -3.204 1.00 0.00 O ATOM 997 CB ASP A 68 10.679 -8.362 -4.685 1.00 0.00 C ATOM 998 CG ASP A 68 11.119 -7.990 -6.087 1.00 0.00 C ATOM 999 OD1 ASP A 68 12.132 -7.270 -6.225 1.00 0.00 O ATOM 1000 OD2 ASP A 68 10.465 -8.428 -7.059 1.00 0.00 O ATOM 0 H ASP A 68 11.413 -6.278 -3.587 1.00 0.00 H new ATOM 0 HA ASP A 68 9.027 -6.993 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.556 -8.430 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.220 -9.351 -4.704 1.00 0.00 H new ATOM 1005 N ASP A 69 9.486 -8.342 -1.882 1.00 0.00 N ATOM 1006 CA ASP A 69 8.819 -9.026 -0.779 1.00 0.00 C ATOM 1007 C ASP A 69 7.630 -8.229 -0.271 1.00 0.00 C ATOM 1008 O ASP A 69 6.591 -8.799 0.055 1.00 0.00 O ATOM 1009 CB ASP A 69 9.796 -9.276 0.367 1.00 0.00 C ATOM 1010 CG ASP A 69 10.716 -10.447 0.103 1.00 0.00 C ATOM 1011 OD1 ASP A 69 10.225 -11.510 -0.335 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.935 -10.308 0.340 1.00 0.00 O ATOM 0 H ASP A 69 10.463 -8.111 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 69 8.457 -9.982 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.394 -8.379 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.236 -9.459 1.284 1.00 0.00 H new ATOM 1017 N ALA A 70 7.792 -6.914 -0.209 1.00 0.00 N ATOM 1018 CA ALA A 70 6.736 -6.029 0.253 1.00 0.00 C ATOM 1019 C ALA A 70 5.481 -6.208 -0.592 1.00 0.00 C ATOM 1020 O ALA A 70 4.392 -6.402 -0.060 1.00 0.00 O ATOM 1021 CB ALA A 70 7.202 -4.582 0.213 1.00 0.00 C ATOM 0 H ALA A 70 8.653 -6.436 -0.476 1.00 0.00 H new ATOM 0 HA ALA A 70 6.496 -6.287 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.400 -3.932 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.073 -4.462 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.468 -4.314 -0.809 1.00 0.00 H new ATOM 1027 N VAL A 71 5.644 -6.167 -1.911 1.00 0.00 N ATOM 1028 CA VAL A 71 4.517 -6.334 -2.820 1.00 0.00 C ATOM 1029 C VAL A 71 3.962 -7.760 -2.738 1.00 0.00 C ATOM 1030 O VAL A 71 2.755 -7.972 -2.841 1.00 0.00 O ATOM 1031 CB VAL A 71 4.908 -6.007 -4.280 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.723 -6.180 -5.212 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.450 -4.591 -4.391 1.00 0.00 C ATOM 0 H VAL A 71 6.542 -6.020 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 71 3.744 -5.631 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 71 5.690 -6.706 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.025 -5.944 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.372 -7.211 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.919 -5.510 -4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.718 -4.384 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.688 -3.883 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.333 -4.489 -3.760 1.00 0.00 H new ATOM 1043 N ARG A 72 4.853 -8.731 -2.538 1.00 0.00 N ATOM 1044 CA ARG A 72 4.455 -10.136 -2.430 1.00 0.00 C ATOM 1045 C ARG A 72 3.496 -10.340 -1.262 1.00 0.00 C ATOM 1046 O ARG A 72 2.411 -10.897 -1.429 1.00 0.00 O ATOM 1047 CB ARG A 72 5.680 -11.040 -2.259 1.00 0.00 C ATOM 1048 CG ARG A 72 6.522 -11.171 -3.517 1.00 0.00 C ATOM 1049 CD ARG A 72 7.811 -11.926 -3.245 1.00 0.00 C ATOM 1050 NE ARG A 72 8.704 -11.915 -4.402 1.00 0.00 N ATOM 1051 CZ ARG A 72 10.024 -12.098 -4.334 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.629 -12.243 -3.160 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.744 -12.113 -5.449 1.00 0.00 N ATOM 0 H ARG A 72 5.856 -8.571 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 72 3.946 -10.407 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.302 -10.646 -1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.349 -12.031 -1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.950 -11.689 -4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.754 -10.180 -3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.319 -11.480 -2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.578 -12.956 -2.976 1.00 0.00 H new ATOM 0 HE ARG A 72 8.291 -11.757 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.084 -12.215 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.639 -12.382 -3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.288 -11.985 -6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.753 -12.253 -5.402 1.00 0.00 H new ATOM 1067 N VAL A 73 3.895 -9.873 -0.082 1.00 0.00 N ATOM 1068 CA VAL A 73 3.058 -9.998 1.107 1.00 0.00 C ATOM 1069 C VAL A 73 1.792 -9.164 0.946 1.00 0.00 C ATOM 1070 O VAL A 73 0.700 -9.578 1.345 1.00 0.00 O ATOM 1071 CB VAL A 73 3.803 -9.551 2.383 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.936 -9.755 3.617 1.00 0.00 C ATOM 1073 CG2 VAL A 73 5.117 -10.300 2.530 1.00 0.00 C ATOM 0 H VAL A 73 4.788 -9.407 0.076 1.00 0.00 H new ATOM 0 HA VAL A 73 2.800 -11.052 1.214 1.00 0.00 H new ATOM 0 HB VAL A 73 4.021 -8.487 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.483 -9.433 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.023 -9.168 3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.681 -10.810 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.625 -9.969 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.921 -11.370 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.749 -10.099 1.665 1.00 0.00 H new ATOM 1083 N LEU A 74 1.947 -7.995 0.333 1.00 0.00 N ATOM 1084 CA LEU A 74 0.827 -7.096 0.095 1.00 0.00 C ATOM 1085 C LEU A 74 -0.233 -7.787 -0.756 1.00 0.00 C ATOM 1086 O LEU A 74 -1.430 -7.648 -0.504 1.00 0.00 O ATOM 1087 CB LEU A 74 1.316 -5.820 -0.594 1.00 0.00 C ATOM 1088 CG LEU A 74 0.226 -4.818 -0.974 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.422 -4.226 0.266 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.803 -3.719 -1.846 1.00 0.00 C ATOM 0 H LEU A 74 2.843 -7.648 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 74 0.381 -6.827 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.029 -5.323 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.858 -6.100 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.542 -5.346 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.194 -3.516 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.871 -5.024 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.333 -3.713 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.016 -3.012 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.591 -3.198 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.218 -4.155 -2.755 1.00 0.00 H new ATOM 1102 N ARG A 75 0.220 -8.544 -1.753 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.678 -9.276 -2.640 1.00 0.00 C ATOM 1104 C ARG A 75 -1.580 -10.212 -1.852 1.00 0.00 C ATOM 1105 O ARG A 75 -2.777 -10.311 -2.125 1.00 0.00 O ATOM 1106 CB ARG A 75 0.117 -10.090 -3.661 1.00 0.00 C ATOM 1107 CG ARG A 75 0.520 -9.309 -4.897 1.00 0.00 C ATOM 1108 CD ARG A 75 1.171 -10.213 -5.928 1.00 0.00 C ATOM 1109 NE ARG A 75 0.690 -9.927 -7.281 1.00 0.00 N ATOM 1110 CZ ARG A 75 1.387 -9.251 -8.194 1.00 0.00 C ATOM 1111 NH1 ARG A 75 2.600 -8.803 -7.906 1.00 0.00 N ATOM 1112 NH2 ARG A 75 0.871 -9.029 -9.400 1.00 0.00 N ATOM 0 H ARG A 75 1.210 -8.666 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.293 -8.542 -3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.015 -10.478 -3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.478 -10.951 -3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.358 -8.831 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.211 -8.513 -4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.253 -10.086 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.964 -11.254 -5.681 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.236 -10.266 -7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.002 -8.975 -6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.132 -8.286 -8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.060 -9.376 -9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.407 -8.511 -10.097 1.00 0.00 H new ATOM 1126 N GLU A 76 -1.001 -10.885 -0.868 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.740 -11.822 -0.039 1.00 0.00 C ATOM 1128 C GLU A 76 -2.812 -11.113 0.779 1.00 0.00 C ATOM 1129 O GLU A 76 -3.900 -11.646 0.978 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.786 -12.585 0.877 1.00 0.00 C ATOM 1131 CG GLU A 76 0.278 -13.367 0.120 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.280 -14.097 -1.086 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -1.103 -15.023 -0.900 1.00 0.00 O ATOM 1134 OE2 GLU A 76 0.099 -13.752 -2.223 1.00 0.00 O ATOM 0 H GLU A 76 -0.014 -10.797 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.240 -12.532 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.299 -11.880 1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.361 -13.273 1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.063 -12.684 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.741 -14.088 0.794 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.503 -9.912 1.246 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.451 -9.135 2.035 1.00 0.00 C ATOM 1143 C ILE A 77 -4.524 -8.523 1.134 1.00 0.00 C ATOM 1144 O ILE A 77 -5.715 -8.550 1.452 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.734 -8.014 2.821 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.591 -8.602 3.662 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.723 -7.266 3.707 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.709 -7.560 4.317 1.00 0.00 C ATOM 0 H ILE A 77 -1.605 -9.454 1.093 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.923 -9.813 2.746 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.311 -7.305 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.015 -9.242 4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.975 -9.237 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.200 -6.480 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.502 -6.821 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.175 -7.961 4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.073 -8.055 4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.254 -6.934 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.311 -6.940 4.981 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.091 -7.994 -0.002 1.00 0.00 N ATOM 1161 CA VAL A 78 -4.988 -7.368 -0.970 1.00 0.00 C ATOM 1162 C VAL A 78 -6.001 -8.373 -1.526 1.00 0.00 C ATOM 1163 O VAL A 78 -7.154 -8.025 -1.791 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.175 -6.735 -2.123 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.052 -6.368 -3.314 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.432 -5.510 -1.615 1.00 0.00 C ATOM 0 H VAL A 78 -3.110 -7.985 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.543 -6.585 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.459 -7.480 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.436 -5.927 -4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.539 -7.265 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.809 -5.649 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.860 -5.067 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.148 -4.781 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.754 -5.802 -0.813 1.00 0.00 H new ATOM 1176 N SER A 79 -5.578 -9.616 -1.680 1.00 0.00 N ATOM 1177 CA SER A 79 -6.450 -10.659 -2.203 1.00 0.00 C ATOM 1178 C SER A 79 -7.076 -11.466 -1.062 1.00 0.00 C ATOM 1179 O SER A 79 -7.508 -12.602 -1.254 1.00 0.00 O ATOM 1180 CB SER A 79 -5.657 -11.577 -3.133 1.00 0.00 C ATOM 1181 OG SER A 79 -4.700 -10.837 -3.874 1.00 0.00 O ATOM 0 H SER A 79 -4.635 -9.930 -1.451 1.00 0.00 H new ATOM 0 HA SER A 79 -7.257 -10.191 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.155 -12.348 -2.549 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.337 -12.087 -3.815 1.00 0.00 H new ATOM 0 HG SER A 79 -3.851 -10.818 -3.385 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.116 -10.871 0.126 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.693 -11.528 1.290 1.00 0.00 C ATOM 1189 C GLN A 80 -8.927 -10.768 1.770 1.00 0.00 C ATOM 1190 O GLN A 80 -9.189 -9.647 1.327 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.661 -11.620 2.413 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.732 -12.916 3.210 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.305 -14.136 2.410 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.833 -15.233 2.605 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.342 -13.966 1.517 1.00 0.00 N ATOM 0 H GLN A 80 -6.755 -9.934 0.306 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.992 -12.537 1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.663 -11.522 1.985 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.801 -10.779 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.097 -12.828 4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.752 -13.061 3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.928 -13.043 1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.014 -14.758 0.964 1.00 0.00 H new ATOM 1204 N THR A 81 -9.675 -11.376 2.673 1.00 0.00 N ATOM 1205 CA THR A 81 -10.881 -10.764 3.204 1.00 0.00 C ATOM 1206 C THR A 81 -10.589 -9.980 4.480 1.00 0.00 C ATOM 1207 O THR A 81 -9.646 -10.298 5.211 1.00 0.00 O ATOM 1208 CB THR A 81 -11.932 -11.847 3.493 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.313 -13.144 3.436 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.075 -11.777 2.491 1.00 0.00 C ATOM 0 H THR A 81 -9.467 -12.298 3.056 1.00 0.00 H new ATOM 0 HA THR A 81 -11.264 -10.069 2.456 1.00 0.00 H new ATOM 0 HB THR A 81 -12.340 -11.677 4.489 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.983 -13.835 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.805 -12.554 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.554 -10.800 2.553 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.686 -11.927 1.484 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.379 -8.946 4.738 1.00 0.00 N ATOM 1219 CA GLY A 82 -11.187 -8.150 5.933 1.00 0.00 C ATOM 1220 C GLY A 82 -10.788 -6.720 5.629 1.00 0.00 C ATOM 1221 O GLY A 82 -10.312 -6.430 4.531 1.00 0.00 O ATOM 0 H GLY A 82 -12.149 -8.645 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.108 -8.149 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.419 -8.613 6.553 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.988 -5.798 6.586 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.634 -4.385 6.415 1.00 0.00 C ATOM 1227 C PRO A 83 -9.123 -4.176 6.331 1.00 0.00 C ATOM 1228 O PRO A 83 -8.369 -4.599 7.215 1.00 0.00 O ATOM 1229 CB PRO A 83 -11.204 -3.712 7.667 1.00 0.00 C ATOM 1230 CG PRO A 83 -11.318 -4.802 8.675 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.577 -6.068 7.907 1.00 0.00 C ATOM 0 HA PRO A 83 -11.031 -3.976 5.486 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.548 -2.916 8.020 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.175 -3.259 7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.403 -4.885 9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.129 -4.600 9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.111 -6.929 8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.643 -6.282 7.834 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.689 -3.520 5.268 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.275 -3.264 5.056 1.00 0.00 C ATOM 1241 C ILE A 84 -6.870 -1.905 5.624 1.00 0.00 C ATOM 1242 O ILE A 84 -7.534 -0.895 5.391 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.917 -3.344 3.552 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.109 -4.778 3.049 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.488 -2.879 3.310 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.867 -4.945 1.564 1.00 0.00 C ATOM 0 H ILE A 84 -9.298 -3.154 4.536 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.718 -4.037 5.586 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.583 -2.682 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.433 -5.437 3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.124 -5.101 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.259 -2.944 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.380 -1.846 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.800 -3.513 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.023 -5.987 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.561 -4.313 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.843 -4.655 1.327 1.00 0.00 H new ATOM 1258 N SER A 85 -5.789 -1.898 6.390 1.00 0.00 N ATOM 1259 CA SER A 85 -5.279 -0.676 6.995 1.00 0.00 C ATOM 1260 C SER A 85 -3.917 -0.331 6.403 1.00 0.00 C ATOM 1261 O SER A 85 -2.992 -1.147 6.434 1.00 0.00 O ATOM 1262 CB SER A 85 -5.181 -0.841 8.510 1.00 0.00 C ATOM 1263 OG SER A 85 -6.424 -1.258 9.048 1.00 0.00 O ATOM 0 H SER A 85 -5.244 -2.732 6.609 1.00 0.00 H new ATOM 0 HA SER A 85 -5.967 0.142 6.782 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.410 -1.572 8.752 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.880 0.102 8.965 1.00 0.00 H new ATOM 0 HG SER A 85 -6.342 -1.360 10.019 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.793 0.876 5.864 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.548 1.301 5.244 1.00 0.00 C ATOM 1271 C LEU A 86 -1.902 2.452 6.005 1.00 0.00 C ATOM 1272 O LEU A 86 -2.534 3.474 6.269 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.789 1.724 3.791 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.381 0.652 2.870 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.623 1.226 1.482 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.467 -0.559 2.789 1.00 0.00 C ATOM 0 H LEU A 86 -4.537 1.574 5.845 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.869 0.449 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.457 2.585 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.841 2.056 3.368 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.334 0.330 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.044 0.454 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.320 2.061 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.679 1.574 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.910 -1.305 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.497 -0.257 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.338 -0.985 3.784 1.00 0.00 H new ATOM 1288 N THR A 87 -0.646 2.263 6.365 1.00 0.00 N ATOM 1289 CA THR A 87 0.119 3.277 7.064 1.00 0.00 C ATOM 1290 C THR A 87 1.111 3.910 6.090 1.00 0.00 C ATOM 1291 O THR A 87 2.141 3.313 5.765 1.00 0.00 O ATOM 1292 CB THR A 87 0.877 2.663 8.254 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.092 1.618 8.845 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.194 3.715 9.301 1.00 0.00 C ATOM 0 H THR A 87 -0.129 1.403 6.181 1.00 0.00 H new ATOM 0 HA THR A 87 -0.563 4.036 7.448 1.00 0.00 H new ATOM 0 HB THR A 87 1.816 2.252 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.095 0.834 8.257 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.730 3.253 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.814 4.494 8.858 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.266 4.154 9.668 1.00 0.00 H new ATOM 1302 N VAL A 88 0.790 5.105 5.611 1.00 0.00 N ATOM 1303 CA VAL A 88 1.645 5.789 4.644 1.00 0.00 C ATOM 1304 C VAL A 88 2.407 6.953 5.266 1.00 0.00 C ATOM 1305 O VAL A 88 1.982 7.534 6.264 1.00 0.00 O ATOM 1306 CB VAL A 88 0.837 6.306 3.432 1.00 0.00 C ATOM 1307 CG1 VAL A 88 0.357 5.145 2.573 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.337 7.163 3.885 1.00 0.00 C ATOM 0 H VAL A 88 -0.051 5.620 5.873 1.00 0.00 H new ATOM 0 HA VAL A 88 2.365 5.043 4.306 1.00 0.00 H new ATOM 0 HB VAL A 88 1.495 6.930 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.210 5.530 1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.216 4.582 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.280 4.491 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.889 7.514 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.997 6.570 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.034 8.019 4.449 1.00 0.00 H new ATOM 1318 N ALA A 89 3.544 7.274 4.666 1.00 0.00 N ATOM 1319 CA ALA A 89 4.385 8.370 5.119 1.00 0.00 C ATOM 1320 C ALA A 89 4.340 9.518 4.122 1.00 0.00 C ATOM 1321 O ALA A 89 4.671 9.347 2.941 1.00 0.00 O ATOM 1322 CB ALA A 89 5.817 7.893 5.309 1.00 0.00 C ATOM 0 H ALA A 89 3.909 6.781 3.851 1.00 0.00 H new ATOM 0 HA ALA A 89 4.006 8.726 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.435 8.724 5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.840 7.097 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.204 7.516 4.362 1.00 0.00 H new ATOM 1328 N LYS A 90 3.923 10.678 4.596 1.00 0.00 N ATOM 1329 CA LYS A 90 3.824 11.863 3.765 1.00 0.00 C ATOM 1330 C LYS A 90 4.772 12.936 4.281 1.00 0.00 C ATOM 1331 O LYS A 90 4.647 13.319 5.461 1.00 0.00 O ATOM 1332 CB LYS A 90 2.387 12.387 3.757 1.00 0.00 C ATOM 1333 CG LYS A 90 1.359 11.346 3.334 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.057 11.888 3.430 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.357 12.874 2.313 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.687 12.191 1.036 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.658 13.374 3.517 1.00 0.00 O ATOM 0 H LYS A 90 3.644 10.825 5.566 1.00 0.00 H new ATOM 0 HA LYS A 90 4.104 11.603 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.136 12.749 4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.325 13.241 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.560 11.030 2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.455 10.462 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.767 11.062 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.195 12.377 4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.190 13.512 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.505 13.524 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.602 12.866 0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.030 11.399 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.661 11.829 1.078 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 3.201 -3.629 -8.444 1.00 20.00 C HETATM 1353 C19 SUZ A 91 2.108 -2.779 -8.523 1.00 20.00 C HETATM 1354 C5 SUZ A 91 1.087 -3.005 -9.502 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.284 -2.402 -9.271 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.142 -2.780 -8.147 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.762 -3.873 -7.117 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.280 -4.817 -6.976 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.280 -5.635 -5.903 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.726 -5.562 -4.939 1.00 20.00 C HETATM 1361 F SUZ A 91 -0.690 -6.394 -3.890 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.762 -4.646 -5.060 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.769 -3.812 -6.141 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.746 -2.714 -6.557 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.901 -2.325 -5.586 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.269 -2.463 -6.233 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.540 -1.733 -7.301 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -6.130 -3.225 -5.776 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.405 -2.108 -7.718 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -3.139 -1.016 -8.404 1.00 20.00 C HETATM 1371 C4 SUZ A 91 1.203 -4.090 -10.359 1.00 20.00 C HETATM 1372 C3 SUZ A 91 2.322 -4.962 -10.274 1.00 20.00 C HETATM 1373 C2 SUZ A 91 3.310 -4.736 -9.330 1.00 20.00 C HETATM 1374 S SUZ A 91 4.695 -5.773 -9.196 1.00 20.00 S HETATM 1375 O1 SUZ A 91 4.454 -6.902 -8.350 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.863 -4.716 -8.401 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.856 -2.957 -4.699 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.492 -0.143 -8.494 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.440 -1.348 -9.397 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -4.025 -0.753 -7.825 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.648 -1.653 -9.974 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.429 -4.275 -11.104 1.00 20.00 H new HETATM 0 H3 SUZ A 91 2.403 -5.811 -10.953 1.00 20.00 H new HETATM 0 H20 SUZ A 91 3.978 -3.448 -7.701 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.846 -5.187 -8.412 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.911 -3.764 -8.929 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.026 -1.936 -7.837 1.00 20.00 H new HETATM 0 H17 SUZ A 91 1.071 -4.883 -7.722 1.00 20.00 H new HETATM 0 H16 SUZ A 91 1.080 -6.366 -5.787 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.551 -4.594 -4.310 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.761 -1.297 -5.252 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.555 -4.544 -7.370 1.00 20.00 H new