USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 698 hydrogens (24 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 68 SER OG : rot 180:sc= -0.237 USER MOD Set 1.2: A 71 SER OG : rot -84:sc= 0.897 USER MOD Set 2.1: A 3 HIS : no HD1:sc= -6.41! C(o=-7.1!,f=-11!) USER MOD Set 2.2: A 81 THR OG1 : rot -68:sc= -0.675 USER MOD Single : A 1 MET CE :methyl 144:sc= -0.608 (180deg=-1.55) USER MOD Single : A 1 MET N :NH3+ -128:sc= -0.218 (180deg=-0.291) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 9 GLN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -1.01 F(o=-5.4!,f=-1) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc=-0.00013 (180deg=-0.118) USER MOD Single : A 62 SER OG : rot 180:sc= -0.116 USER MOD Single : A 65 HIS : no HE2:sc= -3.23 K(o=-3.2,f=-6.8!) USER MOD Single : A 80 THR OG1 : rot 165:sc= 0.492 USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= -2.1! (180deg=-2.24!) USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.085 -4.046 2.391 1.00 0.00 N ATOM 2 CA MET A 1 11.390 -3.317 1.291 1.00 0.00 C ATOM 3 C MET A 1 11.389 -4.178 0.028 1.00 0.00 C ATOM 4 O MET A 1 11.631 -3.700 -1.062 1.00 0.00 O ATOM 5 CB MET A 1 12.119 -2.002 1.011 1.00 0.00 C ATOM 6 CG MET A 1 11.995 -1.084 2.227 1.00 0.00 C ATOM 7 SD MET A 1 12.705 0.534 1.835 1.00 0.00 S ATOM 8 CE MET A 1 12.514 1.269 3.477 1.00 0.00 C ATOM 0 H1 MET A 1 11.476 -4.066 3.234 1.00 0.00 H new ATOM 0 H2 MET A 1 12.288 -5.020 2.088 1.00 0.00 H new ATOM 0 H3 MET A 1 12.976 -3.562 2.620 1.00 0.00 H new ATOM 0 HA MET A 1 10.362 -3.107 1.588 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.169 -2.195 0.793 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.694 -1.518 0.131 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.948 -0.975 2.509 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.511 -1.522 3.081 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.363 1.920 3.685 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.593 1.851 3.510 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.471 0.479 4.227 1.00 0.00 H new ATOM 20 N GLN A 2 11.121 -5.447 0.167 1.00 0.00 N ATOM 21 CA GLN A 2 11.106 -6.338 -1.027 1.00 0.00 C ATOM 22 C GLN A 2 10.062 -5.833 -2.024 1.00 0.00 C ATOM 23 O GLN A 2 10.264 -5.866 -3.222 1.00 0.00 O ATOM 24 CB GLN A 2 10.746 -7.762 -0.597 1.00 0.00 C ATOM 25 CG GLN A 2 11.826 -8.303 0.341 1.00 0.00 C ATOM 26 CD GLN A 2 11.447 -9.714 0.795 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.312 -10.125 0.656 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.355 -10.478 1.337 1.00 0.00 N ATOM 0 H GLN A 2 10.912 -5.905 1.054 1.00 0.00 H new ATOM 0 HA GLN A 2 12.091 -6.336 -1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.778 -7.768 -0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.655 -8.405 -1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.790 -8.320 -0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.933 -7.648 1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.308 -10.133 1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.112 -11.420 1.644 1.00 0.00 H new ATOM 37 N HIS A 3 8.945 -5.365 -1.538 1.00 0.00 N ATOM 38 CA HIS A 3 7.884 -4.858 -2.453 1.00 0.00 C ATOM 39 C HIS A 3 7.321 -3.548 -1.899 1.00 0.00 C ATOM 40 O HIS A 3 6.302 -3.060 -2.346 1.00 0.00 O ATOM 41 CB HIS A 3 6.765 -5.895 -2.553 1.00 0.00 C ATOM 42 CG HIS A 3 7.353 -7.228 -2.922 1.00 0.00 C ATOM 43 ND1 HIS A 3 7.733 -8.160 -1.965 1.00 0.00 N ATOM 44 CD2 HIS A 3 7.638 -7.802 -4.137 1.00 0.00 C ATOM 45 CE1 HIS A 3 8.220 -9.233 -2.614 1.00 0.00 C ATOM 46 NE2 HIS A 3 8.184 -9.064 -3.937 1.00 0.00 N ATOM 0 H HIS A 3 8.721 -5.312 -0.544 1.00 0.00 H new ATOM 0 HA HIS A 3 8.305 -4.682 -3.443 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.236 -5.969 -1.603 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.035 -5.587 -3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.464 -7.343 -5.099 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.594 -10.121 -2.125 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.493 -9.723 -4.652 1.00 0.00 H new ATOM 55 N ALA A 4 7.973 -2.981 -0.922 1.00 0.00 N ATOM 56 CA ALA A 4 7.473 -1.709 -0.330 1.00 0.00 C ATOM 57 C ALA A 4 7.409 -0.623 -1.406 1.00 0.00 C ATOM 58 O ALA A 4 6.552 0.236 -1.380 1.00 0.00 O ATOM 59 CB ALA A 4 8.418 -1.262 0.788 1.00 0.00 C ATOM 0 H ALA A 4 8.831 -3.344 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 4 6.474 -1.871 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.053 -0.331 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.458 -2.031 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.416 -1.105 0.380 1.00 0.00 H new ATOM 65 N SER A 5 8.308 -0.650 -2.352 1.00 0.00 N ATOM 66 CA SER A 5 8.286 0.391 -3.418 1.00 0.00 C ATOM 67 C SER A 5 6.968 0.307 -4.188 1.00 0.00 C ATOM 68 O SER A 5 6.417 1.306 -4.605 1.00 0.00 O ATOM 69 CB SER A 5 9.455 0.164 -4.377 1.00 0.00 C ATOM 70 OG SER A 5 9.241 -1.041 -5.101 1.00 0.00 O ATOM 0 H SER A 5 9.052 -1.343 -2.433 1.00 0.00 H new ATOM 0 HA SER A 5 8.377 1.378 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.544 1.004 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.391 0.107 -3.821 1.00 0.00 H new ATOM 0 HG SER A 5 9.988 -1.189 -5.718 1.00 0.00 H new ATOM 76 N VAL A 6 6.451 -0.876 -4.372 1.00 0.00 N ATOM 77 CA VAL A 6 5.162 -1.017 -5.106 1.00 0.00 C ATOM 78 C VAL A 6 4.045 -0.377 -4.285 1.00 0.00 C ATOM 79 O VAL A 6 3.141 0.235 -4.810 1.00 0.00 O ATOM 80 CB VAL A 6 4.850 -2.496 -5.323 1.00 0.00 C ATOM 81 CG1 VAL A 6 3.446 -2.641 -5.915 1.00 0.00 C ATOM 82 CG2 VAL A 6 5.875 -3.096 -6.288 1.00 0.00 C ATOM 0 H VAL A 6 6.864 -1.750 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 6 5.239 -0.522 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 6 4.897 -3.021 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.224 -3.697 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.716 -2.213 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.398 -2.116 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.653 -4.152 -6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.828 -2.571 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.875 -2.993 -5.867 1.00 0.00 H new ATOM 92 N ILE A 7 4.096 -0.522 -2.995 1.00 0.00 N ATOM 93 CA ILE A 7 3.038 0.073 -2.138 1.00 0.00 C ATOM 94 C ILE A 7 3.058 1.599 -2.261 1.00 0.00 C ATOM 95 O ILE A 7 2.028 2.237 -2.351 1.00 0.00 O ATOM 96 CB ILE A 7 3.290 -0.325 -0.683 1.00 0.00 C ATOM 97 CG1 ILE A 7 3.254 -1.850 -0.565 1.00 0.00 C ATOM 98 CG2 ILE A 7 2.206 0.281 0.209 1.00 0.00 C ATOM 99 CD1 ILE A 7 3.676 -2.265 0.845 1.00 0.00 C ATOM 0 H ILE A 7 4.827 -1.028 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 7 2.064 -0.295 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 7 4.265 0.045 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.250 -2.218 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.921 -2.298 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.387 -0.003 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.228 1.367 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.229 -0.088 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.650 -3.352 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.688 -1.910 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.991 -1.829 1.573 1.00 0.00 H new ATOM 111 N ALA A 8 4.221 2.192 -2.248 1.00 0.00 N ATOM 112 CA ALA A 8 4.302 3.679 -2.346 1.00 0.00 C ATOM 113 C ALA A 8 3.770 4.164 -3.696 1.00 0.00 C ATOM 114 O ALA A 8 2.943 5.052 -3.762 1.00 0.00 O ATOM 115 CB ALA A 8 5.759 4.118 -2.191 1.00 0.00 C ATOM 0 H ALA A 8 5.118 1.712 -2.174 1.00 0.00 H new ATOM 0 HA ALA A 8 3.692 4.113 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.821 5.204 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.135 3.796 -1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.361 3.668 -2.980 1.00 0.00 H new ATOM 121 N GLN A 9 4.236 3.601 -4.774 1.00 0.00 N ATOM 122 CA GLN A 9 3.749 4.049 -6.111 1.00 0.00 C ATOM 123 C GLN A 9 2.299 3.606 -6.317 1.00 0.00 C ATOM 124 O GLN A 9 1.503 4.307 -6.906 1.00 0.00 O ATOM 125 CB GLN A 9 4.635 3.471 -7.220 1.00 0.00 C ATOM 126 CG GLN A 9 4.771 1.962 -7.042 1.00 0.00 C ATOM 127 CD GLN A 9 4.404 1.258 -8.350 1.00 0.00 C ATOM 128 OE1 GLN A 9 5.236 0.627 -8.968 1.00 0.00 O ATOM 129 NE2 GLN A 9 3.182 1.345 -8.800 1.00 0.00 N ATOM 0 H GLN A 9 4.930 2.853 -4.790 1.00 0.00 H new ATOM 0 HA GLN A 9 3.798 5.137 -6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.203 3.693 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.619 3.939 -7.193 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.792 1.710 -6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.120 1.620 -6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.483 1.876 -8.280 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.926 0.882 -9.672 1.00 0.00 H new ATOM 138 N PHE A 10 1.945 2.445 -5.845 1.00 0.00 N ATOM 139 CA PHE A 10 0.546 1.965 -6.033 1.00 0.00 C ATOM 140 C PHE A 10 -0.437 2.946 -5.390 1.00 0.00 C ATOM 141 O PHE A 10 -1.386 3.381 -6.010 1.00 0.00 O ATOM 142 CB PHE A 10 0.396 0.586 -5.384 1.00 0.00 C ATOM 143 CG PHE A 10 -0.987 0.045 -5.644 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.996 0.215 -4.689 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.259 -0.634 -6.837 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.278 -0.295 -4.927 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.541 -1.143 -7.076 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.550 -0.974 -6.120 1.00 0.00 C ATOM 0 H PHE A 10 2.560 1.808 -5.339 1.00 0.00 H new ATOM 0 HA PHE A 10 0.328 1.896 -7.099 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.145 -0.098 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.572 0.658 -4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.786 0.740 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.480 -0.765 -7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.057 -0.164 -4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.752 -1.666 -7.997 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.539 -1.368 -6.303 1.00 0.00 H new ATOM 158 N VAL A 11 -0.223 3.295 -4.154 1.00 0.00 N ATOM 159 CA VAL A 11 -1.149 4.245 -3.478 1.00 0.00 C ATOM 160 C VAL A 11 -0.920 5.671 -3.995 1.00 0.00 C ATOM 161 O VAL A 11 -1.852 6.419 -4.202 1.00 0.00 O ATOM 162 CB VAL A 11 -0.900 4.199 -1.971 1.00 0.00 C ATOM 163 CG1 VAL A 11 -1.066 2.764 -1.468 1.00 0.00 C ATOM 164 CG2 VAL A 11 0.522 4.680 -1.674 1.00 0.00 C ATOM 0 H VAL A 11 0.553 2.964 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.178 3.957 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.617 4.846 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.888 2.732 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.078 2.419 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.350 2.116 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.700 4.647 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.238 4.033 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.642 5.703 -2.031 1.00 0.00 H new ATOM 174 N VAL A 12 0.314 6.054 -4.193 1.00 0.00 N ATOM 175 CA VAL A 12 0.604 7.437 -4.680 1.00 0.00 C ATOM 176 C VAL A 12 -0.006 7.656 -6.065 1.00 0.00 C ATOM 177 O VAL A 12 -0.521 8.715 -6.363 1.00 0.00 O ATOM 178 CB VAL A 12 2.115 7.642 -4.754 1.00 0.00 C ATOM 179 CG1 VAL A 12 2.417 8.983 -5.426 1.00 0.00 C ATOM 180 CG2 VAL A 12 2.701 7.636 -3.341 1.00 0.00 C ATOM 0 H VAL A 12 1.135 5.469 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 12 0.165 8.153 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 12 2.562 6.836 -5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.496 9.129 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.001 8.987 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.970 9.790 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.780 7.782 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.254 8.441 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.488 6.680 -2.863 1.00 0.00 H new ATOM 190 N GLU A 13 0.052 6.673 -6.916 1.00 0.00 N ATOM 191 CA GLU A 13 -0.522 6.842 -8.279 1.00 0.00 C ATOM 192 C GLU A 13 -2.023 7.107 -8.185 1.00 0.00 C ATOM 193 O GLU A 13 -2.588 7.817 -8.994 1.00 0.00 O ATOM 194 CB GLU A 13 -0.266 5.583 -9.105 1.00 0.00 C ATOM 195 CG GLU A 13 1.187 5.569 -9.580 1.00 0.00 C ATOM 196 CD GLU A 13 1.446 4.302 -10.398 1.00 0.00 C ATOM 197 OE1 GLU A 13 2.510 4.210 -10.989 1.00 0.00 O ATOM 198 OE2 GLU A 13 0.576 3.448 -10.421 1.00 0.00 O ATOM 0 H GLU A 13 0.471 5.762 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.044 7.693 -8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.472 4.695 -8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.940 5.554 -9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.391 6.453 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.861 5.606 -8.724 1.00 0.00 H new ATOM 205 N GLU A 14 -2.675 6.546 -7.209 1.00 0.00 N ATOM 206 CA GLU A 14 -4.139 6.773 -7.070 1.00 0.00 C ATOM 207 C GLU A 14 -4.408 8.242 -6.728 1.00 0.00 C ATOM 208 O GLU A 14 -5.413 8.803 -7.115 1.00 0.00 O ATOM 209 CB GLU A 14 -4.690 5.881 -5.956 1.00 0.00 C ATOM 210 CG GLU A 14 -4.542 4.412 -6.358 1.00 0.00 C ATOM 211 CD GLU A 14 -5.152 3.522 -5.273 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.269 2.331 -5.509 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.490 4.047 -4.225 1.00 0.00 O ATOM 0 H GLU A 14 -2.259 5.940 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.631 6.528 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.154 6.070 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.739 6.115 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.039 4.233 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.489 4.166 -6.496 1.00 0.00 H new ATOM 220 N PHE A 15 -3.527 8.865 -5.993 1.00 0.00 N ATOM 221 CA PHE A 15 -3.752 10.292 -5.617 1.00 0.00 C ATOM 222 C PHE A 15 -3.076 11.224 -6.626 1.00 0.00 C ATOM 223 O PHE A 15 -3.729 11.998 -7.299 1.00 0.00 O ATOM 224 CB PHE A 15 -3.166 10.555 -4.228 1.00 0.00 C ATOM 225 CG PHE A 15 -3.732 9.559 -3.249 1.00 0.00 C ATOM 226 CD1 PHE A 15 -2.930 8.512 -2.786 1.00 0.00 C ATOM 227 CD2 PHE A 15 -5.057 9.676 -2.812 1.00 0.00 C ATOM 228 CE1 PHE A 15 -3.449 7.579 -1.884 1.00 0.00 C ATOM 229 CE2 PHE A 15 -5.577 8.743 -1.907 1.00 0.00 C ATOM 230 CZ PHE A 15 -4.773 7.695 -1.442 1.00 0.00 C ATOM 0 H PHE A 15 -2.665 8.451 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.825 10.485 -5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.079 10.474 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.401 11.570 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.909 8.424 -3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.676 10.484 -3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.830 6.769 -1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.598 8.832 -1.567 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.174 6.976 -0.743 1.00 0.00 H new ATOM 240 N LEU A 16 -1.771 11.176 -6.719 1.00 0.00 N ATOM 241 CA LEU A 16 -1.053 12.082 -7.665 1.00 0.00 C ATOM 242 C LEU A 16 -0.080 11.284 -8.543 1.00 0.00 C ATOM 243 O LEU A 16 1.099 11.206 -8.262 1.00 0.00 O ATOM 244 CB LEU A 16 -0.272 13.121 -6.857 1.00 0.00 C ATOM 245 CG LEU A 16 -0.980 14.475 -6.945 1.00 0.00 C ATOM 246 CD1 LEU A 16 -0.384 15.432 -5.911 1.00 0.00 C ATOM 247 CD2 LEU A 16 -0.789 15.057 -8.348 1.00 0.00 C ATOM 0 H LEU A 16 -1.173 10.549 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.781 12.573 -8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.196 12.806 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.745 13.205 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.043 14.343 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.889 16.396 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.518 15.017 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.679 15.565 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.292 16.022 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.275 15.189 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.213 14.376 -9.085 1.00 0.00 H new ATOM 259 N PRO A 17 -0.570 10.705 -9.607 1.00 0.00 N ATOM 260 CA PRO A 17 0.268 9.918 -10.548 1.00 0.00 C ATOM 261 C PRO A 17 1.057 10.814 -11.507 1.00 0.00 C ATOM 262 O PRO A 17 1.979 10.372 -12.165 1.00 0.00 O ATOM 263 CB PRO A 17 -0.739 9.062 -11.315 1.00 0.00 C ATOM 264 CG PRO A 17 -2.056 9.765 -11.205 1.00 0.00 C ATOM 265 CD PRO A 17 -1.977 10.738 -10.024 1.00 0.00 C ATOM 0 HA PRO A 17 1.020 9.329 -10.023 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.442 8.953 -12.358 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.797 8.058 -10.894 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.279 10.302 -12.127 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.860 9.045 -11.053 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.279 11.743 -10.318 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.638 10.431 -9.213 1.00 0.00 H new ATOM 273 N ASP A 18 0.712 12.071 -11.587 1.00 0.00 N ATOM 274 CA ASP A 18 1.452 12.986 -12.496 1.00 0.00 C ATOM 275 C ASP A 18 2.789 13.350 -11.850 1.00 0.00 C ATOM 276 O ASP A 18 3.618 14.015 -12.438 1.00 0.00 O ATOM 277 CB ASP A 18 0.628 14.250 -12.719 1.00 0.00 C ATOM 278 CG ASP A 18 -0.633 13.906 -13.515 1.00 0.00 C ATOM 279 OD1 ASP A 18 -1.511 14.750 -13.588 1.00 0.00 O ATOM 280 OD2 ASP A 18 -0.699 12.806 -14.035 1.00 0.00 O ATOM 0 H ASP A 18 -0.049 12.501 -11.062 1.00 0.00 H new ATOM 0 HA ASP A 18 1.628 12.498 -13.455 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.356 14.693 -11.761 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.219 14.991 -13.257 1.00 0.00 H new ATOM 285 N VAL A 19 2.999 12.900 -10.644 1.00 0.00 N ATOM 286 CA VAL A 19 4.278 13.190 -9.938 1.00 0.00 C ATOM 287 C VAL A 19 5.036 11.877 -9.746 1.00 0.00 C ATOM 288 O VAL A 19 4.448 10.851 -9.469 1.00 0.00 O ATOM 289 CB VAL A 19 3.980 13.814 -8.573 1.00 0.00 C ATOM 290 CG1 VAL A 19 5.292 14.209 -7.895 1.00 0.00 C ATOM 291 CG2 VAL A 19 3.110 15.059 -8.763 1.00 0.00 C ATOM 0 H VAL A 19 2.333 12.339 -10.113 1.00 0.00 H new ATOM 0 HA VAL A 19 4.879 13.886 -10.524 1.00 0.00 H new ATOM 0 HB VAL A 19 3.453 13.092 -7.950 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.080 14.654 -6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.913 13.324 -7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.820 14.932 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.896 15.505 -7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.639 15.781 -9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.175 14.779 -9.247 1.00 0.00 H new ATOM 301 N ALA A 20 6.331 11.887 -9.896 1.00 0.00 N ATOM 302 CA ALA A 20 7.093 10.622 -9.722 1.00 0.00 C ATOM 303 C ALA A 20 6.903 10.125 -8.278 1.00 0.00 C ATOM 304 O ALA A 20 7.242 10.824 -7.344 1.00 0.00 O ATOM 305 CB ALA A 20 8.579 10.886 -9.976 1.00 0.00 C ATOM 0 H ALA A 20 6.889 12.708 -10.129 1.00 0.00 H new ATOM 0 HA ALA A 20 6.734 9.871 -10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.140 9.960 -9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.714 11.256 -10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.943 11.630 -9.268 1.00 0.00 H new ATOM 311 N PRO A 21 6.353 8.945 -8.076 1.00 0.00 N ATOM 312 CA PRO A 21 6.124 8.416 -6.700 1.00 0.00 C ATOM 313 C PRO A 21 7.440 8.171 -5.955 1.00 0.00 C ATOM 314 O PRO A 21 7.502 8.234 -4.744 1.00 0.00 O ATOM 315 CB PRO A 21 5.349 7.112 -6.910 1.00 0.00 C ATOM 316 CG PRO A 21 5.589 6.712 -8.326 1.00 0.00 C ATOM 317 CD PRO A 21 5.909 7.986 -9.106 1.00 0.00 C ATOM 0 HA PRO A 21 5.576 9.126 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.693 6.339 -6.223 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.285 7.256 -6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.414 6.003 -8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.711 6.217 -8.740 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.687 7.812 -9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.034 8.355 -9.641 1.00 0.00 H new ATOM 325 N ALA A 22 8.492 7.900 -6.677 1.00 0.00 N ATOM 326 CA ALA A 22 9.809 7.659 -6.022 1.00 0.00 C ATOM 327 C ALA A 22 10.338 8.979 -5.453 1.00 0.00 C ATOM 328 O ALA A 22 11.251 9.001 -4.653 1.00 0.00 O ATOM 329 CB ALA A 22 10.800 7.113 -7.051 1.00 0.00 C ATOM 0 H ALA A 22 8.497 7.835 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 22 9.690 6.934 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.763 6.937 -6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.421 6.176 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.923 7.836 -7.857 1.00 0.00 H new ATOM 335 N ASP A 23 9.768 10.078 -5.865 1.00 0.00 N ATOM 336 CA ASP A 23 10.231 11.398 -5.356 1.00 0.00 C ATOM 337 C ASP A 23 9.561 11.681 -4.013 1.00 0.00 C ATOM 338 O ASP A 23 9.726 12.736 -3.434 1.00 0.00 O ATOM 339 CB ASP A 23 9.855 12.493 -6.357 1.00 0.00 C ATOM 340 CG ASP A 23 10.643 12.293 -7.653 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.580 11.513 -7.639 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.294 12.924 -8.638 1.00 0.00 O ATOM 0 H ASP A 23 8.999 10.118 -6.534 1.00 0.00 H new ATOM 0 HA ASP A 23 11.313 11.383 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.785 12.462 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.071 13.475 -5.936 1.00 0.00 H new ATOM 347 N VAL A 24 8.806 10.743 -3.515 1.00 0.00 N ATOM 348 CA VAL A 24 8.124 10.948 -2.210 1.00 0.00 C ATOM 349 C VAL A 24 8.894 10.195 -1.125 1.00 0.00 C ATOM 350 O VAL A 24 9.319 9.074 -1.318 1.00 0.00 O ATOM 351 CB VAL A 24 6.694 10.413 -2.289 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.966 10.706 -0.976 1.00 0.00 C ATOM 353 CG2 VAL A 24 5.958 11.097 -3.443 1.00 0.00 C ATOM 0 H VAL A 24 8.632 9.841 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 24 8.095 12.011 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 24 6.718 9.337 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.946 10.325 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.490 10.220 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.942 11.782 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.938 10.716 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.935 12.173 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.476 10.889 -4.379 1.00 0.00 H new ATOM 363 N ASP A 25 9.086 10.804 0.011 1.00 0.00 N ATOM 364 CA ASP A 25 9.838 10.121 1.098 1.00 0.00 C ATOM 365 C ASP A 25 9.028 8.931 1.618 1.00 0.00 C ATOM 366 O ASP A 25 8.319 9.027 2.599 1.00 0.00 O ATOM 367 CB ASP A 25 10.093 11.108 2.239 1.00 0.00 C ATOM 368 CG ASP A 25 8.763 11.681 2.734 1.00 0.00 C ATOM 369 OD1 ASP A 25 8.798 12.581 3.556 1.00 0.00 O ATOM 370 OD2 ASP A 25 7.732 11.217 2.276 1.00 0.00 O ATOM 0 H ASP A 25 8.755 11.743 0.233 1.00 0.00 H new ATOM 0 HA ASP A 25 10.791 9.762 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.611 10.607 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.742 11.914 1.897 1.00 0.00 H new ATOM 375 N VAL A 26 9.133 7.803 0.967 1.00 0.00 N ATOM 376 CA VAL A 26 8.372 6.608 1.428 1.00 0.00 C ATOM 377 C VAL A 26 8.804 6.253 2.851 1.00 0.00 C ATOM 378 O VAL A 26 8.315 5.311 3.443 1.00 0.00 O ATOM 379 CB VAL A 26 8.661 5.428 0.498 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.389 5.840 -0.951 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.128 5.015 0.642 1.00 0.00 C ATOM 0 H VAL A 26 9.711 7.659 0.139 1.00 0.00 H new ATOM 0 HA VAL A 26 7.304 6.827 1.413 1.00 0.00 H new ATOM 0 HB VAL A 26 8.017 4.590 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.595 4.999 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.345 6.137 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.033 6.678 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.336 4.174 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.770 5.854 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.324 4.722 1.673 1.00 0.00 H new ATOM 391 N ASP A 27 9.712 7.007 3.409 1.00 0.00 N ATOM 392 CA ASP A 27 10.169 6.722 4.798 1.00 0.00 C ATOM 393 C ASP A 27 9.256 7.458 5.780 1.00 0.00 C ATOM 394 O ASP A 27 9.466 7.439 6.977 1.00 0.00 O ATOM 395 CB ASP A 27 11.610 7.208 4.973 1.00 0.00 C ATOM 396 CG ASP A 27 12.541 6.373 4.093 1.00 0.00 C ATOM 397 OD1 ASP A 27 13.681 6.775 3.924 1.00 0.00 O ATOM 398 OD2 ASP A 27 12.099 5.347 3.604 1.00 0.00 O ATOM 0 H ASP A 27 10.157 7.809 2.962 1.00 0.00 H new ATOM 0 HA ASP A 27 10.128 5.650 4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.685 8.261 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.909 7.125 6.018 1.00 0.00 H new ATOM 403 N LEU A 28 8.245 8.107 5.276 1.00 0.00 N ATOM 404 CA LEU A 28 7.307 8.851 6.162 1.00 0.00 C ATOM 405 C LEU A 28 6.109 7.968 6.488 1.00 0.00 C ATOM 406 O LEU A 28 5.594 7.266 5.640 1.00 0.00 O ATOM 407 CB LEU A 28 6.817 10.110 5.446 1.00 0.00 C ATOM 408 CG LEU A 28 5.938 10.932 6.391 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.698 12.183 6.837 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.656 11.342 5.664 1.00 0.00 C ATOM 0 H LEU A 28 8.026 8.155 4.281 1.00 0.00 H new ATOM 0 HA LEU A 28 7.823 9.128 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.667 10.706 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.253 9.837 4.554 1.00 0.00 H new ATOM 0 HG LEU A 28 5.684 10.333 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.072 12.769 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.611 11.889 7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.953 12.784 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.028 11.928 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.909 11.941 4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.115 10.450 5.348 1.00 0.00 H new ATOM 422 N ASP A 29 5.647 8.003 7.706 1.00 0.00 N ATOM 423 CA ASP A 29 4.473 7.170 8.061 1.00 0.00 C ATOM 424 C ASP A 29 3.299 7.613 7.193 1.00 0.00 C ATOM 425 O ASP A 29 2.913 8.765 7.196 1.00 0.00 O ATOM 426 CB ASP A 29 4.127 7.363 9.538 1.00 0.00 C ATOM 427 CG ASP A 29 5.257 6.805 10.404 1.00 0.00 C ATOM 428 OD1 ASP A 29 6.097 6.102 9.867 1.00 0.00 O ATOM 429 OD2 ASP A 29 5.264 7.090 11.591 1.00 0.00 O ATOM 0 H ASP A 29 6.030 8.569 8.464 1.00 0.00 H new ATOM 0 HA ASP A 29 4.693 6.116 7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.979 8.421 9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.191 6.856 9.772 1.00 0.00 H new ATOM 434 N LEU A 30 2.740 6.718 6.432 1.00 0.00 N ATOM 435 CA LEU A 30 1.609 7.105 5.550 1.00 0.00 C ATOM 436 C LEU A 30 0.397 7.498 6.398 1.00 0.00 C ATOM 437 O LEU A 30 -0.648 7.834 5.878 1.00 0.00 O ATOM 438 CB LEU A 30 1.247 5.933 4.636 1.00 0.00 C ATOM 439 CG LEU A 30 0.603 4.816 5.457 1.00 0.00 C ATOM 440 CD1 LEU A 30 -0.900 4.772 5.177 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.231 3.477 5.069 1.00 0.00 C ATOM 0 H LEU A 30 3.017 5.737 6.383 1.00 0.00 H new ATOM 0 HA LEU A 30 1.905 7.958 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.561 6.266 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.141 5.560 4.136 1.00 0.00 H new ATOM 0 HG LEU A 30 0.767 5.005 6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.356 3.975 5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.349 5.727 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.067 4.583 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.774 2.678 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.065 3.291 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.302 3.506 5.269 1.00 0.00 H new ATOM 453 N VAL A 31 0.524 7.470 7.697 1.00 0.00 N ATOM 454 CA VAL A 31 -0.634 7.852 8.551 1.00 0.00 C ATOM 455 C VAL A 31 -1.165 9.195 8.064 1.00 0.00 C ATOM 456 O VAL A 31 -2.358 9.414 7.989 1.00 0.00 O ATOM 457 CB VAL A 31 -0.185 7.971 10.010 1.00 0.00 C ATOM 458 CG1 VAL A 31 0.611 9.264 10.197 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.416 7.994 10.919 1.00 0.00 C ATOM 0 H VAL A 31 1.371 7.202 8.199 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.414 7.094 8.487 1.00 0.00 H new ATOM 0 HB VAL A 31 0.444 7.119 10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.930 9.348 11.236 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.487 9.249 9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.016 10.118 9.940 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.099 8.079 11.958 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.043 8.847 10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.983 7.073 10.787 1.00 0.00 H new ATOM 469 N ASP A 32 -0.288 10.085 7.695 1.00 0.00 N ATOM 470 CA ASP A 32 -0.748 11.398 7.171 1.00 0.00 C ATOM 471 C ASP A 32 -1.616 11.120 5.949 1.00 0.00 C ATOM 472 O ASP A 32 -2.593 11.794 5.690 1.00 0.00 O ATOM 473 CB ASP A 32 0.459 12.248 6.770 1.00 0.00 C ATOM 474 CG ASP A 32 1.258 12.625 8.018 1.00 0.00 C ATOM 475 OD1 ASP A 32 0.745 12.428 9.108 1.00 0.00 O ATOM 476 OD2 ASP A 32 2.370 13.103 7.865 1.00 0.00 O ATOM 0 H ASP A 32 0.724 9.960 7.734 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.312 11.941 7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.091 11.695 6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.127 13.148 6.253 1.00 0.00 H new ATOM 481 N ASN A 33 -1.264 10.106 5.206 1.00 0.00 N ATOM 482 CA ASN A 33 -2.052 9.735 4.005 1.00 0.00 C ATOM 483 C ASN A 33 -3.219 8.852 4.450 1.00 0.00 C ATOM 484 O ASN A 33 -3.832 8.162 3.658 1.00 0.00 O ATOM 485 CB ASN A 33 -1.167 8.958 3.031 1.00 0.00 C ATOM 486 CG ASN A 33 0.070 9.789 2.686 1.00 0.00 C ATOM 487 OD1 ASN A 33 0.315 10.882 3.356 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 0.827 9.435 1.804 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.453 9.514 5.386 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.424 10.631 3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.867 8.008 3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.725 8.724 2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.636 8.581 1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.654 9.992 1.587 1.00 0.00 H new ATOM 495 N GLY A 34 -3.514 8.862 5.723 1.00 0.00 N ATOM 496 CA GLY A 34 -4.627 8.026 6.255 1.00 0.00 C ATOM 497 C GLY A 34 -5.831 8.101 5.317 1.00 0.00 C ATOM 498 O GLY A 34 -6.739 7.303 5.393 1.00 0.00 O ATOM 0 H GLY A 34 -3.025 9.420 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.299 6.992 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.909 8.371 7.250 1.00 0.00 H new ATOM 502 N VAL A 35 -5.848 9.050 4.428 1.00 0.00 N ATOM 503 CA VAL A 35 -6.999 9.157 3.490 1.00 0.00 C ATOM 504 C VAL A 35 -7.234 7.791 2.841 1.00 0.00 C ATOM 505 O VAL A 35 -8.355 7.390 2.599 1.00 0.00 O ATOM 506 CB VAL A 35 -6.680 10.190 2.407 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.743 10.125 1.308 1.00 0.00 C ATOM 508 CG2 VAL A 35 -6.671 11.590 3.025 1.00 0.00 C ATOM 0 H VAL A 35 -5.119 9.754 4.309 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.892 9.469 4.031 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.701 9.975 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.515 10.861 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.750 9.128 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.722 10.339 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.444 12.326 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.650 11.804 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.913 11.638 3.807 1.00 0.00 H new ATOM 518 N ILE A 36 -6.180 7.074 2.565 1.00 0.00 N ATOM 519 CA ILE A 36 -6.325 5.730 1.937 1.00 0.00 C ATOM 520 C ILE A 36 -6.917 4.746 2.950 1.00 0.00 C ATOM 521 O ILE A 36 -7.420 3.702 2.591 1.00 0.00 O ATOM 522 CB ILE A 36 -4.947 5.221 1.513 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.096 4.200 0.384 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.269 4.549 2.708 1.00 0.00 C ATOM 525 CD1 ILE A 36 -3.782 3.433 0.213 1.00 0.00 C ATOM 0 H ILE A 36 -5.219 7.363 2.748 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.983 5.809 1.071 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.345 6.060 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.907 3.508 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.358 4.705 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.286 4.184 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.159 5.271 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.879 3.712 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.888 2.705 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.982 4.132 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.539 2.915 1.141 1.00 0.00 H new ATOM 537 N ASP A 37 -6.832 5.059 4.215 1.00 0.00 N ATOM 538 CA ASP A 37 -7.356 4.131 5.262 1.00 0.00 C ATOM 539 C ASP A 37 -8.831 3.801 5.022 1.00 0.00 C ATOM 540 O ASP A 37 -9.284 2.728 5.367 1.00 0.00 O ATOM 541 CB ASP A 37 -7.209 4.773 6.645 1.00 0.00 C ATOM 542 CG ASP A 37 -5.726 4.983 6.957 1.00 0.00 C ATOM 543 OD1 ASP A 37 -4.906 4.396 6.268 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.434 5.728 7.878 1.00 0.00 O ATOM 0 H ASP A 37 -6.420 5.922 4.571 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.778 3.209 5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.736 5.727 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.664 4.136 7.403 1.00 0.00 H new ATOM 549 N SER A 38 -9.592 4.709 4.469 1.00 0.00 N ATOM 550 CA SER A 38 -11.043 4.421 4.255 1.00 0.00 C ATOM 551 C SER A 38 -11.407 4.469 2.769 1.00 0.00 C ATOM 552 O SER A 38 -11.806 3.479 2.192 1.00 0.00 O ATOM 553 CB SER A 38 -11.875 5.457 5.011 1.00 0.00 C ATOM 554 OG SER A 38 -11.262 5.720 6.278 1.00 0.00 O ATOM 0 H SER A 38 -9.277 5.628 4.159 1.00 0.00 H new ATOM 0 HA SER A 38 -11.253 3.418 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.947 6.377 4.431 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.891 5.090 5.154 1.00 0.00 H new ATOM 559 N LEU A 39 -11.302 5.606 2.145 1.00 0.00 N ATOM 560 CA LEU A 39 -11.678 5.690 0.707 1.00 0.00 C ATOM 561 C LEU A 39 -10.784 4.769 -0.118 1.00 0.00 C ATOM 562 O LEU A 39 -11.251 3.951 -0.884 1.00 0.00 O ATOM 563 CB LEU A 39 -11.516 7.132 0.223 1.00 0.00 C ATOM 564 CG LEU A 39 -12.057 7.271 -1.202 1.00 0.00 C ATOM 565 CD1 LEU A 39 -12.773 8.615 -1.346 1.00 0.00 C ATOM 566 CD2 LEU A 39 -10.897 7.211 -2.201 1.00 0.00 C ATOM 0 H LEU A 39 -10.974 6.476 2.564 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.716 5.379 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.048 7.810 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.464 7.417 0.251 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.755 6.458 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.159 8.715 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.599 8.665 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.072 9.424 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.285 7.310 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.200 8.024 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.380 6.256 -2.102 1.00 0.00 H new ATOM 578 N GLY A 40 -9.500 4.897 0.036 1.00 0.00 N ATOM 579 CA GLY A 40 -8.566 4.034 -0.731 1.00 0.00 C ATOM 580 C GLY A 40 -8.620 2.602 -0.200 1.00 0.00 C ATOM 581 O GLY A 40 -8.538 1.648 -0.948 1.00 0.00 O ATOM 0 H GLY A 40 -9.054 5.566 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.830 4.048 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.551 4.422 -0.651 1.00 0.00 H new ATOM 585 N LEU A 41 -8.738 2.445 1.089 1.00 0.00 N ATOM 586 CA LEU A 41 -8.776 1.077 1.671 1.00 0.00 C ATOM 587 C LEU A 41 -9.941 0.289 1.076 1.00 0.00 C ATOM 588 O LEU A 41 -9.797 -0.857 0.710 1.00 0.00 O ATOM 589 CB LEU A 41 -8.949 1.178 3.187 1.00 0.00 C ATOM 590 CG LEU A 41 -8.845 -0.215 3.811 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.400 -0.714 3.724 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.270 -0.150 5.281 1.00 0.00 C ATOM 0 H LEU A 41 -8.810 3.206 1.764 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.844 0.562 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.186 1.833 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.916 1.622 3.424 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.498 -0.900 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.330 -1.706 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.094 -0.763 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.745 -0.028 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.196 -1.143 5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.617 0.538 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.300 0.201 5.347 1.00 0.00 H new ATOM 604 N LEU A 42 -11.092 0.892 0.966 1.00 0.00 N ATOM 605 CA LEU A 42 -12.250 0.161 0.383 1.00 0.00 C ATOM 606 C LEU A 42 -11.926 -0.231 -1.056 1.00 0.00 C ATOM 607 O LEU A 42 -12.178 -1.343 -1.480 1.00 0.00 O ATOM 608 CB LEU A 42 -13.487 1.061 0.407 1.00 0.00 C ATOM 609 CG LEU A 42 -13.950 1.267 1.848 1.00 0.00 C ATOM 610 CD1 LEU A 42 -15.115 2.257 1.873 1.00 0.00 C ATOM 611 CD2 LEU A 42 -14.411 -0.070 2.423 1.00 0.00 C ATOM 0 H LEU A 42 -11.280 1.853 1.253 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.449 -0.737 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.257 2.023 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.287 0.611 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.126 1.660 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.445 2.404 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.791 3.211 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.940 1.863 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.743 0.071 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.236 -0.458 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.584 -0.779 2.403 1.00 0.00 H new ATOM 623 N LYS A 43 -11.356 0.667 -1.810 1.00 0.00 N ATOM 624 CA LYS A 43 -11.002 0.337 -3.211 1.00 0.00 C ATOM 625 C LYS A 43 -9.973 -0.793 -3.209 1.00 0.00 C ATOM 626 O LYS A 43 -9.961 -1.644 -4.075 1.00 0.00 O ATOM 627 CB LYS A 43 -10.411 1.571 -3.887 1.00 0.00 C ATOM 628 CG LYS A 43 -11.476 2.665 -3.977 1.00 0.00 C ATOM 629 CD LYS A 43 -10.919 3.858 -4.757 1.00 0.00 C ATOM 630 CE LYS A 43 -11.939 4.997 -4.744 1.00 0.00 C ATOM 631 NZ LYS A 43 -13.105 4.633 -5.598 1.00 0.00 N ATOM 0 H LYS A 43 -11.121 1.614 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.891 0.021 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.552 1.931 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.052 1.315 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.368 2.279 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.775 2.979 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.981 4.191 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.699 3.564 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.269 5.191 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.479 5.915 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.706 5.470 -5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.767 4.289 -6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.657 3.886 -5.131 1.00 0.00 H new ATOM 645 N VAL A 44 -9.104 -0.798 -2.235 1.00 0.00 N ATOM 646 CA VAL A 44 -8.063 -1.861 -2.159 1.00 0.00 C ATOM 647 C VAL A 44 -8.722 -3.233 -1.982 1.00 0.00 C ATOM 648 O VAL A 44 -8.291 -4.213 -2.553 1.00 0.00 O ATOM 649 CB VAL A 44 -7.139 -1.579 -0.973 1.00 0.00 C ATOM 650 CG1 VAL A 44 -6.155 -2.737 -0.801 1.00 0.00 C ATOM 651 CG2 VAL A 44 -6.363 -0.286 -1.230 1.00 0.00 C ATOM 0 H VAL A 44 -9.071 -0.108 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.485 -1.864 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.735 -1.474 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.498 -2.534 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.707 -3.659 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.558 -2.845 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.704 -0.083 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.768 -0.393 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.063 0.541 -1.350 1.00 0.00 H new ATOM 661 N ILE A 45 -9.755 -3.317 -1.189 1.00 0.00 N ATOM 662 CA ILE A 45 -10.423 -4.629 -0.978 1.00 0.00 C ATOM 663 C ILE A 45 -10.911 -5.182 -2.319 1.00 0.00 C ATOM 664 O ILE A 45 -10.655 -6.320 -2.661 1.00 0.00 O ATOM 665 CB ILE A 45 -11.622 -4.442 -0.045 1.00 0.00 C ATOM 666 CG1 ILE A 45 -11.171 -3.827 1.286 1.00 0.00 C ATOM 667 CG2 ILE A 45 -12.270 -5.793 0.221 1.00 0.00 C ATOM 668 CD1 ILE A 45 -9.998 -4.624 1.864 1.00 0.00 C ATOM 0 H ILE A 45 -10.164 -2.534 -0.679 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.714 -5.327 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.338 -3.772 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.876 -2.789 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.001 -3.822 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -13.124 -5.662 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.606 -6.227 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.545 -6.459 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.686 -4.179 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -10.307 -5.655 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.165 -4.606 1.162 1.00 0.00 H new ATOM 680 N ALA A 46 -11.615 -4.392 -3.082 1.00 0.00 N ATOM 681 CA ALA A 46 -12.116 -4.885 -4.396 1.00 0.00 C ATOM 682 C ALA A 46 -10.937 -5.125 -5.341 1.00 0.00 C ATOM 683 O ALA A 46 -10.929 -6.064 -6.112 1.00 0.00 O ATOM 684 CB ALA A 46 -13.054 -3.842 -5.008 1.00 0.00 C ATOM 0 H ALA A 46 -11.864 -3.430 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.656 -5.820 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.421 -4.202 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.897 -3.673 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.513 -2.907 -5.153 1.00 0.00 H new ATOM 690 N TRP A 47 -9.943 -4.283 -5.288 1.00 0.00 N ATOM 691 CA TRP A 47 -8.766 -4.462 -6.183 1.00 0.00 C ATOM 692 C TRP A 47 -7.959 -5.681 -5.745 1.00 0.00 C ATOM 693 O TRP A 47 -7.532 -6.481 -6.555 1.00 0.00 O ATOM 694 CB TRP A 47 -7.878 -3.220 -6.110 1.00 0.00 C ATOM 695 CG TRP A 47 -6.545 -3.530 -6.709 1.00 0.00 C ATOM 696 CD1 TRP A 47 -6.291 -3.632 -8.034 1.00 0.00 C ATOM 697 CD2 TRP A 47 -5.282 -3.781 -6.030 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.952 -3.931 -8.209 1.00 0.00 N ATOM 699 CE2 TRP A 47 -4.288 -4.031 -7.003 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.907 -3.814 -4.675 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.967 -4.304 -6.647 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -3.578 -4.089 -4.312 1.00 0.00 C ATOM 703 CH2 TRP A 47 -2.609 -4.333 -5.296 1.00 0.00 C ATOM 0 H TRP A 47 -9.895 -3.478 -4.663 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.115 -4.608 -7.205 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.346 -2.393 -6.644 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.759 -2.904 -5.074 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.015 -3.501 -8.825 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.509 -4.062 -9.118 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.645 -3.627 -3.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.226 -4.492 -7.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.301 -4.113 -3.268 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.589 -4.543 -5.011 1.00 0.00 H new ATOM 714 N LEU A 48 -7.733 -5.821 -4.471 1.00 0.00 N ATOM 715 CA LEU A 48 -6.939 -6.975 -3.979 1.00 0.00 C ATOM 716 C LEU A 48 -7.609 -8.280 -4.409 1.00 0.00 C ATOM 717 O LEU A 48 -6.968 -9.178 -4.920 1.00 0.00 O ATOM 718 CB LEU A 48 -6.868 -6.909 -2.453 1.00 0.00 C ATOM 719 CG LEU A 48 -5.916 -7.976 -1.927 1.00 0.00 C ATOM 720 CD1 LEU A 48 -4.483 -7.464 -2.031 1.00 0.00 C ATOM 721 CD2 LEU A 48 -6.251 -8.270 -0.464 1.00 0.00 C ATOM 0 H LEU A 48 -8.065 -5.183 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.933 -6.939 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.529 -5.922 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.861 -7.055 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.019 -8.888 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.797 -8.224 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.249 -7.247 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.377 -6.555 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.573 -9.033 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.141 -7.359 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.278 -8.628 -0.391 1.00 0.00 H new ATOM 733 N GLU A 49 -8.893 -8.391 -4.218 1.00 0.00 N ATOM 734 CA GLU A 49 -9.597 -9.635 -4.631 1.00 0.00 C ATOM 735 C GLU A 49 -9.566 -9.745 -6.155 1.00 0.00 C ATOM 736 O GLU A 49 -9.434 -10.814 -6.710 1.00 0.00 O ATOM 737 CB GLU A 49 -11.048 -9.587 -4.139 1.00 0.00 C ATOM 738 CG GLU A 49 -11.784 -10.854 -4.564 1.00 0.00 C ATOM 739 CD GLU A 49 -13.247 -10.767 -4.129 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.619 -9.748 -3.571 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.971 -11.722 -4.361 1.00 0.00 O ATOM 0 H GLU A 49 -9.484 -7.676 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.102 -10.503 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.070 -9.490 -3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.551 -8.710 -4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.722 -10.977 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.312 -11.729 -4.116 1.00 0.00 H new ATOM 748 N ASP A 50 -9.692 -8.644 -6.835 1.00 0.00 N ATOM 749 CA ASP A 50 -9.676 -8.678 -8.322 1.00 0.00 C ATOM 750 C ASP A 50 -8.292 -9.087 -8.839 1.00 0.00 C ATOM 751 O ASP A 50 -8.171 -9.841 -9.784 1.00 0.00 O ATOM 752 CB ASP A 50 -10.015 -7.289 -8.853 1.00 0.00 C ATOM 753 CG ASP A 50 -10.178 -7.346 -10.374 1.00 0.00 C ATOM 754 OD1 ASP A 50 -9.218 -7.045 -11.064 1.00 0.00 O ATOM 755 OD2 ASP A 50 -11.260 -7.688 -10.822 1.00 0.00 O ATOM 0 H ASP A 50 -9.806 -7.717 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.409 -9.408 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.934 -6.927 -8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.226 -6.585 -8.588 1.00 0.00 H new ATOM 760 N ARG A 51 -7.251 -8.568 -8.250 1.00 0.00 N ATOM 761 CA ARG A 51 -5.876 -8.898 -8.733 1.00 0.00 C ATOM 762 C ARG A 51 -5.329 -10.171 -8.071 1.00 0.00 C ATOM 763 O ARG A 51 -4.956 -11.113 -8.741 1.00 0.00 O ATOM 764 CB ARG A 51 -4.945 -7.724 -8.416 1.00 0.00 C ATOM 765 CG ARG A 51 -3.576 -7.972 -9.049 1.00 0.00 C ATOM 766 CD ARG A 51 -2.637 -6.813 -8.706 1.00 0.00 C ATOM 767 NE ARG A 51 -1.345 -6.990 -9.425 1.00 0.00 N ATOM 768 CZ ARG A 51 -0.522 -7.936 -9.065 1.00 0.00 C ATOM 769 NH1 ARG A 51 0.611 -8.090 -9.694 1.00 0.00 N ATOM 770 NH2 ARG A 51 -0.832 -8.730 -8.076 1.00 0.00 N ATOM 0 H ARG A 51 -7.290 -7.930 -7.455 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.925 -9.075 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.371 -6.796 -8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.843 -7.608 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.160 -8.911 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.675 -8.066 -10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.095 -5.865 -8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.465 -6.777 -7.630 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.103 -6.371 -10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.853 -7.471 -10.467 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.254 -8.830 -9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.718 -8.611 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.188 -9.470 -7.795 1.00 0.00 H new ATOM 784 N PHE A 52 -5.238 -10.193 -6.769 1.00 0.00 N ATOM 785 CA PHE A 52 -4.670 -11.390 -6.080 1.00 0.00 C ATOM 786 C PHE A 52 -5.702 -12.515 -5.962 1.00 0.00 C ATOM 787 O PHE A 52 -5.351 -13.659 -5.754 1.00 0.00 O ATOM 788 CB PHE A 52 -4.200 -10.983 -4.684 1.00 0.00 C ATOM 789 CG PHE A 52 -2.988 -10.090 -4.802 1.00 0.00 C ATOM 790 CD1 PHE A 52 -3.138 -8.699 -4.789 1.00 0.00 C ATOM 791 CD2 PHE A 52 -1.713 -10.656 -4.923 1.00 0.00 C ATOM 792 CE1 PHE A 52 -2.013 -7.872 -4.898 1.00 0.00 C ATOM 793 CE2 PHE A 52 -0.588 -9.829 -5.033 1.00 0.00 C ATOM 794 CZ PHE A 52 -0.739 -8.437 -5.020 1.00 0.00 C ATOM 0 H PHE A 52 -5.532 -9.436 -6.152 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.834 -11.763 -6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.999 -10.462 -4.157 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.957 -11.869 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.122 -8.263 -4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.597 -11.730 -4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.129 -6.798 -4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.396 -10.265 -5.128 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.128 -7.799 -5.104 1.00 0.00 H new ATOM 804 N GLY A 53 -6.965 -12.219 -6.080 1.00 0.00 N ATOM 805 CA GLY A 53 -7.981 -13.305 -5.957 1.00 0.00 C ATOM 806 C GLY A 53 -8.186 -13.638 -4.477 1.00 0.00 C ATOM 807 O GLY A 53 -8.443 -14.768 -4.114 1.00 0.00 O ATOM 0 H GLY A 53 -7.337 -11.285 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.923 -12.990 -6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.651 -14.191 -6.499 1.00 0.00 H new ATOM 811 N ILE A 54 -8.070 -12.660 -3.622 1.00 0.00 N ATOM 812 CA ILE A 54 -8.251 -12.913 -2.164 1.00 0.00 C ATOM 813 C ILE A 54 -9.632 -12.419 -1.731 1.00 0.00 C ATOM 814 O ILE A 54 -10.110 -11.403 -2.191 1.00 0.00 O ATOM 815 CB ILE A 54 -7.174 -12.161 -1.387 1.00 0.00 C ATOM 816 CG1 ILE A 54 -5.795 -12.601 -1.881 1.00 0.00 C ATOM 817 CG2 ILE A 54 -7.305 -12.475 0.105 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.732 -11.648 -1.338 1.00 0.00 C ATOM 0 H ILE A 54 -7.857 -11.694 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.169 -13.981 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.294 -11.089 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.587 -13.620 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.772 -12.606 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.535 -11.937 0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.289 -12.165 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.184 -13.547 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.749 -11.961 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.937 -10.636 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.750 -11.666 -0.248 1.00 0.00 H new ATOM 830 N ALA A 55 -10.279 -13.134 -0.854 1.00 0.00 N ATOM 831 CA ALA A 55 -11.633 -12.713 -0.399 1.00 0.00 C ATOM 832 C ALA A 55 -11.549 -11.350 0.290 1.00 0.00 C ATOM 833 O ALA A 55 -10.584 -11.035 0.957 1.00 0.00 O ATOM 834 CB ALA A 55 -12.183 -13.747 0.586 1.00 0.00 C ATOM 0 H ALA A 55 -9.928 -13.994 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.295 -12.639 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.174 -13.440 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.250 -14.718 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.517 -13.821 1.446 1.00 0.00 H new ATOM 840 N ALA A 56 -12.558 -10.541 0.126 1.00 0.00 N ATOM 841 CA ALA A 56 -12.555 -9.192 0.759 1.00 0.00 C ATOM 842 C ALA A 56 -12.601 -9.332 2.283 1.00 0.00 C ATOM 843 O ALA A 56 -12.272 -8.417 3.010 1.00 0.00 O ATOM 844 CB ALA A 56 -13.779 -8.407 0.285 1.00 0.00 C ATOM 0 H ALA A 56 -13.390 -10.757 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.645 -8.664 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.779 -7.420 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.745 -8.301 -0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.686 -8.941 0.569 1.00 0.00 H new ATOM 850 N ASP A 57 -13.015 -10.469 2.773 1.00 0.00 N ATOM 851 CA ASP A 57 -13.091 -10.660 4.247 1.00 0.00 C ATOM 852 C ASP A 57 -11.746 -10.306 4.873 1.00 0.00 C ATOM 853 O ASP A 57 -11.682 -9.742 5.949 1.00 0.00 O ATOM 854 CB ASP A 57 -13.431 -12.117 4.556 1.00 0.00 C ATOM 855 CG ASP A 57 -14.861 -12.417 4.104 1.00 0.00 C ATOM 856 OD1 ASP A 57 -15.572 -11.476 3.793 1.00 0.00 O ATOM 857 OD2 ASP A 57 -15.221 -13.582 4.077 1.00 0.00 O ATOM 0 H ASP A 57 -13.304 -11.273 2.215 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.866 -10.013 4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.731 -12.780 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.329 -12.306 5.625 1.00 0.00 H new ATOM 862 N ASP A 58 -10.669 -10.629 4.213 1.00 0.00 N ATOM 863 CA ASP A 58 -9.334 -10.306 4.778 1.00 0.00 C ATOM 864 C ASP A 58 -9.246 -10.849 6.203 1.00 0.00 C ATOM 865 O ASP A 58 -10.216 -11.328 6.754 1.00 0.00 O ATOM 866 CB ASP A 58 -9.147 -8.791 4.789 1.00 0.00 C ATOM 867 CG ASP A 58 -8.984 -8.285 3.355 1.00 0.00 C ATOM 868 OD1 ASP A 58 -8.819 -9.111 2.472 1.00 0.00 O ATOM 869 OD2 ASP A 58 -9.026 -7.081 3.163 1.00 0.00 O ATOM 0 H ASP A 58 -10.657 -11.102 3.309 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.553 -10.762 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.006 -8.312 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.271 -8.527 5.381 1.00 0.00 H new ATOM 874 N VAL A 59 -8.089 -10.789 6.801 1.00 0.00 N ATOM 875 CA VAL A 59 -7.942 -11.314 8.187 1.00 0.00 C ATOM 876 C VAL A 59 -7.112 -10.345 9.033 1.00 0.00 C ATOM 877 O VAL A 59 -6.161 -9.750 8.565 1.00 0.00 O ATOM 878 CB VAL A 59 -7.253 -12.677 8.130 1.00 0.00 C ATOM 879 CG1 VAL A 59 -5.920 -12.538 7.397 1.00 0.00 C ATOM 880 CG2 VAL A 59 -7.005 -13.180 9.553 1.00 0.00 C ATOM 0 H VAL A 59 -7.240 -10.400 6.391 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.926 -11.417 8.644 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.887 -13.387 7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.425 -13.508 7.354 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.098 -12.176 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.284 -11.830 7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.514 -14.152 9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.368 -12.472 10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.956 -13.275 10.076 1.00 0.00 H new ATOM 890 N GLU A 60 -7.467 -10.188 10.280 1.00 0.00 N ATOM 891 CA GLU A 60 -6.708 -9.265 11.174 1.00 0.00 C ATOM 892 C GLU A 60 -6.596 -7.880 10.531 1.00 0.00 C ATOM 893 O GLU A 60 -5.564 -7.514 10.006 1.00 0.00 O ATOM 894 CB GLU A 60 -5.307 -9.829 11.411 1.00 0.00 C ATOM 895 CG GLU A 60 -4.574 -8.958 12.425 1.00 0.00 C ATOM 896 CD GLU A 60 -3.139 -9.460 12.593 1.00 0.00 C ATOM 897 OE1 GLU A 60 -2.783 -10.413 11.919 1.00 0.00 O ATOM 898 OE2 GLU A 60 -2.421 -8.886 13.395 1.00 0.00 O ATOM 0 H GLU A 60 -8.255 -10.662 10.721 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.236 -9.174 12.123 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.373 -10.854 11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.752 -9.860 10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.570 -7.920 12.092 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.093 -8.983 13.383 1.00 0.00 H new ATOM 905 N LEU A 61 -7.646 -7.104 10.578 1.00 0.00 N ATOM 906 CA LEU A 61 -7.592 -5.740 9.980 1.00 0.00 C ATOM 907 C LEU A 61 -7.472 -4.704 11.101 1.00 0.00 C ATOM 908 O LEU A 61 -8.261 -4.685 12.025 1.00 0.00 O ATOM 909 CB LEU A 61 -8.873 -5.471 9.184 1.00 0.00 C ATOM 910 CG LEU A 61 -9.767 -6.709 9.193 1.00 0.00 C ATOM 911 CD1 LEU A 61 -11.057 -6.410 8.429 1.00 0.00 C ATOM 912 CD2 LEU A 61 -9.043 -7.878 8.520 1.00 0.00 C ATOM 0 H LEU A 61 -8.538 -7.356 11.004 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.731 -5.672 9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.407 -4.624 9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.623 -5.201 8.158 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.001 -6.974 10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.696 -7.293 8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.579 -5.581 8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.817 -6.143 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.686 -8.758 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.805 -7.614 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.122 -8.096 9.061 1.00 0.00 H new ATOM 924 N SER A 62 -6.499 -3.835 11.030 1.00 0.00 N ATOM 925 CA SER A 62 -6.350 -2.805 12.097 1.00 0.00 C ATOM 926 C SER A 62 -5.585 -1.593 11.544 1.00 0.00 C ATOM 927 O SER A 62 -4.732 -1.733 10.690 1.00 0.00 O ATOM 928 CB SER A 62 -5.578 -3.399 13.275 1.00 0.00 C ATOM 929 OG SER A 62 -6.306 -3.175 14.475 1.00 0.00 O ATOM 0 H SER A 62 -5.805 -3.794 10.284 1.00 0.00 H new ATOM 0 HA SER A 62 -7.338 -2.487 12.431 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.425 -4.467 13.123 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.591 -2.943 13.345 1.00 0.00 H new ATOM 0 HG SER A 62 -5.814 -3.556 15.232 1.00 0.00 H new ATOM 935 N PRO A 63 -5.885 -0.411 12.028 1.00 0.00 N ATOM 936 CA PRO A 63 -5.209 0.841 11.575 1.00 0.00 C ATOM 937 C PRO A 63 -3.709 0.835 11.886 1.00 0.00 C ATOM 938 O PRO A 63 -2.926 1.497 11.235 1.00 0.00 O ATOM 939 CB PRO A 63 -5.912 1.957 12.356 1.00 0.00 C ATOM 940 CG PRO A 63 -6.582 1.288 13.509 1.00 0.00 C ATOM 941 CD PRO A 63 -6.894 -0.138 13.063 1.00 0.00 C ATOM 0 HA PRO A 63 -5.281 0.963 10.494 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.196 2.704 12.700 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.638 2.475 11.729 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.935 1.287 14.386 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.494 1.816 13.787 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.818 -0.842 13.892 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.906 -0.221 12.667 1.00 0.00 H new ATOM 949 N GLU A 64 -3.307 0.095 12.883 1.00 0.00 N ATOM 950 CA GLU A 64 -1.862 0.047 13.246 1.00 0.00 C ATOM 951 C GLU A 64 -1.052 -0.503 12.070 1.00 0.00 C ATOM 952 O GLU A 64 0.095 -0.156 11.872 1.00 0.00 O ATOM 953 CB GLU A 64 -1.676 -0.865 14.457 1.00 0.00 C ATOM 954 CG GLU A 64 -2.387 -0.262 15.665 1.00 0.00 C ATOM 955 CD GLU A 64 -2.141 -1.138 16.894 1.00 0.00 C ATOM 956 OE1 GLU A 64 -1.599 -2.218 16.729 1.00 0.00 O ATOM 957 OE2 GLU A 64 -2.500 -0.714 17.981 1.00 0.00 O ATOM 0 H GLU A 64 -3.918 -0.480 13.463 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.516 1.053 13.484 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.077 -1.856 14.244 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.615 -0.990 14.672 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.022 0.749 15.847 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.456 -0.184 15.469 1.00 0.00 H new ATOM 964 N HIS A 65 -1.642 -1.372 11.299 1.00 0.00 N ATOM 965 CA HIS A 65 -0.922 -1.975 10.139 1.00 0.00 C ATOM 966 C HIS A 65 -0.664 -0.931 9.045 1.00 0.00 C ATOM 967 O HIS A 65 0.250 -1.068 8.256 1.00 0.00 O ATOM 968 CB HIS A 65 -1.774 -3.110 9.568 1.00 0.00 C ATOM 969 CG HIS A 65 -1.110 -3.676 8.344 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.539 -3.366 7.061 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.052 -4.538 8.189 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.749 -4.029 6.198 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.171 -4.757 6.835 1.00 0.00 N ATOM 0 H HIS A 65 -2.602 -1.695 11.423 1.00 0.00 H new ATOM 0 HA HIS A 65 0.041 -2.354 10.481 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.905 -3.891 10.317 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.768 -2.740 9.316 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.313 -2.748 6.817 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.518 -4.977 8.994 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.847 -3.979 5.124 1.00 0.00 H new ATOM 982 N PHE A 66 -1.466 0.095 8.965 1.00 0.00 N ATOM 983 CA PHE A 66 -1.263 1.113 7.893 1.00 0.00 C ATOM 984 C PHE A 66 -0.439 2.298 8.412 1.00 0.00 C ATOM 985 O PHE A 66 -0.258 3.282 7.723 1.00 0.00 O ATOM 986 CB PHE A 66 -2.626 1.613 7.414 1.00 0.00 C ATOM 987 CG PHE A 66 -3.403 0.460 6.825 1.00 0.00 C ATOM 988 CD1 PHE A 66 -3.216 0.101 5.485 1.00 0.00 C ATOM 989 CD2 PHE A 66 -4.310 -0.251 7.620 1.00 0.00 C ATOM 990 CE1 PHE A 66 -3.935 -0.969 4.940 1.00 0.00 C ATOM 991 CE2 PHE A 66 -5.029 -1.321 7.075 1.00 0.00 C ATOM 992 CZ PHE A 66 -4.842 -1.680 5.735 1.00 0.00 C ATOM 0 H PHE A 66 -2.250 0.273 9.592 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.720 0.650 7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.178 2.051 8.246 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.497 2.398 6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.517 0.650 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.455 0.026 8.654 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.790 -1.246 3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.728 -1.870 7.688 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.397 -2.505 5.314 1.00 0.00 H new ATOM 1002 N ARG A 67 0.059 2.222 9.615 1.00 0.00 N ATOM 1003 CA ARG A 67 0.863 3.359 10.156 1.00 0.00 C ATOM 1004 C ARG A 67 2.092 3.608 9.277 1.00 0.00 C ATOM 1005 O ARG A 67 2.487 4.738 9.065 1.00 0.00 O ATOM 1006 CB ARG A 67 1.314 3.034 11.580 1.00 0.00 C ATOM 1007 CG ARG A 67 0.094 2.931 12.492 1.00 0.00 C ATOM 1008 CD ARG A 67 -0.355 4.329 12.930 1.00 0.00 C ATOM 1009 NE ARG A 67 -1.403 4.204 13.982 1.00 0.00 N ATOM 1010 CZ ARG A 67 -2.196 5.210 14.235 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -3.116 5.099 15.155 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -2.071 6.325 13.568 1.00 0.00 N ATOM 0 H ARG A 67 -0.054 1.428 10.245 1.00 0.00 H new ATOM 0 HA ARG A 67 0.244 4.256 10.161 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.869 2.096 11.591 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.989 3.809 11.944 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.719 2.426 11.970 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.334 2.327 13.367 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.495 4.893 13.313 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.745 4.882 12.076 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.501 3.333 14.504 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.215 4.227 15.675 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.736 5.884 15.354 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.353 6.411 12.848 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.691 7.110 13.766 1.00 0.00 H new ATOM 1026 N SER A 68 2.706 2.571 8.767 1.00 0.00 N ATOM 1027 CA SER A 68 3.913 2.772 7.910 1.00 0.00 C ATOM 1028 C SER A 68 3.805 1.921 6.643 1.00 0.00 C ATOM 1029 O SER A 68 3.246 0.842 6.651 1.00 0.00 O ATOM 1030 CB SER A 68 5.162 2.360 8.691 1.00 0.00 C ATOM 1031 OG SER A 68 5.122 0.960 8.935 1.00 0.00 O ATOM 0 H SER A 68 2.426 1.600 8.906 1.00 0.00 H new ATOM 0 HA SER A 68 3.981 3.823 7.630 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.059 2.617 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.211 2.904 9.634 1.00 0.00 H new ATOM 0 HG SER A 68 5.922 0.692 9.434 1.00 0.00 H new ATOM 1037 N ILE A 69 4.344 2.401 5.554 1.00 0.00 N ATOM 1038 CA ILE A 69 4.287 1.633 4.285 1.00 0.00 C ATOM 1039 C ILE A 69 5.119 0.354 4.415 1.00 0.00 C ATOM 1040 O ILE A 69 4.772 -0.681 3.882 1.00 0.00 O ATOM 1041 CB ILE A 69 4.856 2.498 3.161 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.051 3.787 3.050 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.760 1.745 1.847 1.00 0.00 C ATOM 1044 CD1 ILE A 69 4.707 4.713 2.024 1.00 0.00 C ATOM 0 H ILE A 69 4.824 3.299 5.493 1.00 0.00 H new ATOM 0 HA ILE A 69 3.254 1.364 4.064 1.00 0.00 H new ATOM 0 HB ILE A 69 5.898 2.732 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.027 3.564 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.000 4.281 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.166 2.361 1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.329 0.818 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.716 1.514 1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.131 5.635 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.723 4.946 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.735 4.218 1.053 1.00 0.00 H new ATOM 1056 N ARG A 70 6.223 0.424 5.108 1.00 0.00 N ATOM 1057 CA ARG A 70 7.088 -0.780 5.262 1.00 0.00 C ATOM 1058 C ARG A 70 6.315 -1.896 5.968 1.00 0.00 C ATOM 1059 O ARG A 70 6.456 -3.059 5.647 1.00 0.00 O ATOM 1060 CB ARG A 70 8.320 -0.415 6.092 1.00 0.00 C ATOM 1061 CG ARG A 70 9.154 0.625 5.343 1.00 0.00 C ATOM 1062 CD ARG A 70 10.440 0.903 6.124 1.00 0.00 C ATOM 1063 NE ARG A 70 10.096 1.331 7.508 1.00 0.00 N ATOM 1064 CZ ARG A 70 9.765 2.570 7.745 1.00 0.00 C ATOM 1065 NH1 ARG A 70 9.464 2.945 8.958 1.00 0.00 N ATOM 1066 NH2 ARG A 70 9.734 3.436 6.769 1.00 0.00 N ATOM 0 H ARG A 70 6.564 1.265 5.575 1.00 0.00 H new ATOM 0 HA ARG A 70 7.395 -1.127 4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.014 -0.021 7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.918 -1.306 6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.394 0.264 4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.583 1.546 5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.062 0.008 6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.021 1.679 5.625 1.00 0.00 H new ATOM 0 HE ARG A 70 10.119 0.655 8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.488 2.269 9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.205 3.914 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.969 3.144 5.820 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.475 4.405 6.955 1.00 0.00 H new ATOM 1080 N SER A 71 5.502 -1.556 6.931 1.00 0.00 N ATOM 1081 CA SER A 71 4.732 -2.605 7.650 1.00 0.00 C ATOM 1082 C SER A 71 3.811 -3.326 6.665 1.00 0.00 C ATOM 1083 O SER A 71 3.592 -4.517 6.763 1.00 0.00 O ATOM 1084 CB SER A 71 3.894 -1.949 8.747 1.00 0.00 C ATOM 1085 OG SER A 71 2.869 -1.166 8.149 1.00 0.00 O ATOM 0 H SER A 71 5.339 -0.600 7.249 1.00 0.00 H new ATOM 0 HA SER A 71 5.419 -3.325 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.456 -2.711 9.391 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.525 -1.323 9.378 1.00 0.00 H new ATOM 0 HG SER A 71 3.223 -0.280 7.924 1.00 0.00 H new ATOM 1091 N ILE A 72 3.272 -2.615 5.713 1.00 0.00 N ATOM 1092 CA ILE A 72 2.374 -3.255 4.722 1.00 0.00 C ATOM 1093 C ILE A 72 3.185 -4.231 3.865 1.00 0.00 C ATOM 1094 O ILE A 72 2.724 -5.301 3.521 1.00 0.00 O ATOM 1095 CB ILE A 72 1.760 -2.167 3.839 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.066 -1.130 4.724 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.731 -2.790 2.899 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.544 0.015 3.855 1.00 0.00 C ATOM 0 H ILE A 72 3.418 -1.614 5.582 1.00 0.00 H new ATOM 0 HA ILE A 72 1.579 -3.802 5.229 1.00 0.00 H new ATOM 0 HB ILE A 72 2.546 -1.689 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.242 -1.593 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.764 -0.747 5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.295 -2.013 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.217 -3.535 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.055 -3.267 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.049 0.754 4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.377 0.484 3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.167 -0.376 3.127 1.00 0.00 H new ATOM 1110 N ASP A 73 4.388 -3.867 3.516 1.00 0.00 N ATOM 1111 CA ASP A 73 5.229 -4.768 2.679 1.00 0.00 C ATOM 1112 C ASP A 73 5.430 -6.103 3.397 1.00 0.00 C ATOM 1113 O ASP A 73 5.420 -7.153 2.787 1.00 0.00 O ATOM 1114 CB ASP A 73 6.589 -4.112 2.433 1.00 0.00 C ATOM 1115 CG ASP A 73 7.364 -4.917 1.389 1.00 0.00 C ATOM 1116 OD1 ASP A 73 8.513 -4.587 1.148 1.00 0.00 O ATOM 1117 OD2 ASP A 73 6.795 -5.851 0.848 1.00 0.00 O ATOM 0 H ASP A 73 4.826 -2.983 3.775 1.00 0.00 H new ATOM 0 HA ASP A 73 4.730 -4.944 1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.453 -3.087 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.155 -4.064 3.363 1.00 0.00 H new ATOM 1122 N ALA A 74 5.621 -6.075 4.689 1.00 0.00 N ATOM 1123 CA ALA A 74 5.829 -7.349 5.432 1.00 0.00 C ATOM 1124 C ALA A 74 4.567 -8.206 5.346 1.00 0.00 C ATOM 1125 O ALA A 74 4.629 -9.397 5.110 1.00 0.00 O ATOM 1126 CB ALA A 74 6.138 -7.040 6.898 1.00 0.00 C ATOM 0 H ALA A 74 5.642 -5.229 5.259 1.00 0.00 H new ATOM 0 HA ALA A 74 6.665 -7.892 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.290 -7.972 7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.041 -6.432 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.303 -6.495 7.339 1.00 0.00 H new ATOM 1132 N PHE A 75 3.422 -7.612 5.528 1.00 0.00 N ATOM 1133 CA PHE A 75 2.159 -8.396 5.450 1.00 0.00 C ATOM 1134 C PHE A 75 1.994 -8.953 4.036 1.00 0.00 C ATOM 1135 O PHE A 75 1.680 -10.112 3.846 1.00 0.00 O ATOM 1136 CB PHE A 75 0.975 -7.491 5.783 1.00 0.00 C ATOM 1137 CG PHE A 75 -0.293 -8.310 5.815 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -1.102 -8.391 4.675 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -0.659 -8.988 6.983 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -2.278 -9.150 4.705 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -1.835 -9.748 7.013 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.644 -9.829 5.874 1.00 0.00 C ATOM 0 H PHE A 75 3.306 -6.618 5.727 1.00 0.00 H new ATOM 0 HA PHE A 75 2.197 -9.219 6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.133 -7.008 6.747 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.890 -6.698 5.040 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.819 -7.868 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.034 -8.925 7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.903 -9.212 3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.117 -10.271 7.915 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.551 -10.415 5.896 1.00 0.00 H new ATOM 1152 N VAL A 76 2.206 -8.135 3.041 1.00 0.00 N ATOM 1153 CA VAL A 76 2.064 -8.609 1.643 1.00 0.00 C ATOM 1154 C VAL A 76 3.117 -9.680 1.351 1.00 0.00 C ATOM 1155 O VAL A 76 2.830 -10.694 0.747 1.00 0.00 O ATOM 1156 CB VAL A 76 2.261 -7.426 0.699 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.355 -7.933 -0.736 1.00 0.00 C ATOM 1158 CG2 VAL A 76 1.073 -6.470 0.825 1.00 0.00 C ATOM 0 H VAL A 76 2.472 -7.155 3.141 1.00 0.00 H new ATOM 0 HA VAL A 76 1.072 -9.038 1.498 1.00 0.00 H new ATOM 0 HB VAL A 76 3.179 -6.901 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.496 -7.089 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.200 -8.615 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.436 -8.458 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.213 -5.625 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.154 -6.995 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.004 -6.108 1.851 1.00 0.00 H new ATOM 1168 N VAL A 77 4.333 -9.467 1.778 1.00 0.00 N ATOM 1169 CA VAL A 77 5.400 -10.469 1.526 1.00 0.00 C ATOM 1170 C VAL A 77 5.021 -11.799 2.178 1.00 0.00 C ATOM 1171 O VAL A 77 5.226 -12.859 1.621 1.00 0.00 O ATOM 1172 CB VAL A 77 6.709 -9.961 2.127 1.00 0.00 C ATOM 1173 CG1 VAL A 77 7.736 -11.088 2.124 1.00 0.00 C ATOM 1174 CG2 VAL A 77 7.236 -8.792 1.292 1.00 0.00 C ATOM 0 H VAL A 77 4.631 -8.638 2.292 1.00 0.00 H new ATOM 0 HA VAL A 77 5.518 -10.618 0.453 1.00 0.00 H new ATOM 0 HB VAL A 77 6.534 -9.627 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.672 -10.729 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.362 -11.923 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.909 -11.420 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.170 -8.430 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.412 -9.126 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.502 -7.986 1.290 1.00 0.00 H new ATOM 1184 N GLY A 78 4.477 -11.750 3.361 1.00 0.00 N ATOM 1185 CA GLY A 78 4.092 -13.005 4.064 1.00 0.00 C ATOM 1186 C GLY A 78 3.077 -13.795 3.230 1.00 0.00 C ATOM 1187 O GLY A 78 3.049 -15.008 3.270 1.00 0.00 O ATOM 0 H GLY A 78 4.281 -10.890 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.977 -13.615 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.665 -12.767 5.038 1.00 0.00 H new ATOM 1191 N ALA A 79 2.232 -13.124 2.489 1.00 0.00 N ATOM 1192 CA ALA A 79 1.216 -13.859 1.681 1.00 0.00 C ATOM 1193 C ALA A 79 1.627 -13.906 0.207 1.00 0.00 C ATOM 1194 O ALA A 79 1.631 -14.955 -0.407 1.00 0.00 O ATOM 1195 CB ALA A 79 -0.135 -13.149 1.804 1.00 0.00 C ATOM 0 H ALA A 79 2.202 -12.108 2.409 1.00 0.00 H new ATOM 0 HA ALA A 79 1.142 -14.880 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.881 -13.682 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.443 -13.131 2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.044 -12.127 1.435 1.00 0.00 H new ATOM 1201 N THR A 80 1.965 -12.785 -0.366 1.00 0.00 N ATOM 1202 CA THR A 80 2.368 -12.773 -1.804 1.00 0.00 C ATOM 1203 C THR A 80 3.666 -11.984 -1.972 1.00 0.00 C ATOM 1204 O THR A 80 4.010 -11.155 -1.156 1.00 0.00 O ATOM 1205 CB THR A 80 1.264 -12.116 -2.636 1.00 0.00 C ATOM 1206 OG1 THR A 80 1.284 -10.712 -2.422 1.00 0.00 O ATOM 1207 CG2 THR A 80 -0.095 -12.679 -2.219 1.00 0.00 C ATOM 0 H THR A 80 1.980 -11.876 0.097 1.00 0.00 H new ATOM 0 HA THR A 80 2.523 -13.798 -2.142 1.00 0.00 H new ATOM 0 HB THR A 80 1.432 -12.325 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.751 -10.268 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.880 -12.210 -2.812 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.109 -13.756 -2.385 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.266 -12.472 -1.163 1.00 0.00 H new ATOM 1215 N THR A 81 4.386 -12.228 -3.031 1.00 0.00 N ATOM 1216 CA THR A 81 5.656 -11.487 -3.253 1.00 0.00 C ATOM 1217 C THR A 81 5.762 -11.087 -4.730 1.00 0.00 C ATOM 1218 O THR A 81 6.329 -11.804 -5.530 1.00 0.00 O ATOM 1219 CB THR A 81 6.834 -12.388 -2.879 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.021 -11.887 -3.479 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.569 -13.810 -3.375 1.00 0.00 C ATOM 0 H THR A 81 4.149 -12.909 -3.752 1.00 0.00 H new ATOM 0 HA THR A 81 5.672 -10.589 -2.635 1.00 0.00 H new ATOM 0 HB THR A 81 6.952 -12.401 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.966 -11.993 -4.452 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.409 -14.451 -3.108 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.659 -14.193 -2.913 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.450 -13.801 -4.458 1.00 0.00 H new ATOM 1229 N PRO A 82 5.225 -9.947 -5.088 1.00 0.00 N ATOM 1230 CA PRO A 82 5.267 -9.446 -6.492 1.00 0.00 C ATOM 1231 C PRO A 82 6.698 -9.142 -6.951 1.00 0.00 C ATOM 1232 O PRO A 82 7.646 -9.344 -6.218 1.00 0.00 O ATOM 1233 CB PRO A 82 4.434 -8.157 -6.470 1.00 0.00 C ATOM 1234 CG PRO A 82 3.711 -8.145 -5.160 1.00 0.00 C ATOM 1235 CD PRO A 82 4.517 -9.018 -4.200 1.00 0.00 C ATOM 0 HA PRO A 82 4.882 -10.191 -7.189 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.073 -7.280 -6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.731 -8.135 -7.302 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.624 -7.128 -4.777 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.698 -8.531 -5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.211 -8.424 -3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.870 -9.547 -3.500 1.00 0.00 H new ATOM 1243 N PRO A 83 6.854 -8.656 -8.156 1.00 0.00 N ATOM 1244 CA PRO A 83 8.194 -8.317 -8.716 1.00 0.00 C ATOM 1245 C PRO A 83 8.899 -7.236 -7.892 1.00 0.00 C ATOM 1246 O PRO A 83 8.266 -6.376 -7.313 1.00 0.00 O ATOM 1247 CB PRO A 83 7.902 -7.795 -10.129 1.00 0.00 C ATOM 1248 CG PRO A 83 6.504 -8.213 -10.446 1.00 0.00 C ATOM 1249 CD PRO A 83 5.775 -8.377 -9.114 1.00 0.00 C ATOM 0 HA PRO A 83 8.858 -9.182 -8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.003 -6.711 -10.172 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.606 -8.210 -10.851 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.009 -7.466 -11.067 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.499 -9.148 -11.006 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.225 -7.475 -8.845 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.052 -9.192 -9.151 1.00 0.00 H new ATOM 1257 N VAL A 84 10.205 -7.274 -7.835 1.00 0.00 N ATOM 1258 CA VAL A 84 10.949 -6.248 -7.049 1.00 0.00 C ATOM 1259 C VAL A 84 11.741 -5.349 -8.000 1.00 0.00 C ATOM 1260 O VAL A 84 12.451 -5.819 -8.867 1.00 0.00 O ATOM 1261 CB VAL A 84 11.914 -6.948 -6.088 1.00 0.00 C ATOM 1262 CG1 VAL A 84 12.605 -5.904 -5.209 1.00 0.00 C ATOM 1263 CG2 VAL A 84 11.134 -7.922 -5.204 1.00 0.00 C ATOM 0 H VAL A 84 10.787 -7.971 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 84 10.243 -5.642 -6.482 1.00 0.00 H new ATOM 0 HB VAL A 84 12.664 -7.495 -6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.292 -6.402 -4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.160 -5.208 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.856 -5.357 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.820 -8.421 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.385 -7.374 -4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.641 -8.666 -5.830 1.00 0.00 H new ATOM 1273 N GLU A 85 11.626 -4.059 -7.839 1.00 0.00 N ATOM 1274 CA GLU A 85 12.371 -3.122 -8.727 1.00 0.00 C ATOM 1275 C GLU A 85 13.043 -2.043 -7.876 1.00 0.00 C ATOM 1276 O GLU A 85 12.624 -1.762 -6.771 1.00 0.00 O ATOM 1277 CB GLU A 85 11.398 -2.467 -9.710 1.00 0.00 C ATOM 1278 CG GLU A 85 10.736 -3.547 -10.568 1.00 0.00 C ATOM 1279 CD GLU A 85 9.825 -2.888 -11.605 1.00 0.00 C ATOM 1280 OE1 GLU A 85 9.350 -3.591 -12.481 1.00 0.00 O ATOM 1281 OE2 GLU A 85 9.616 -1.689 -11.506 1.00 0.00 O ATOM 0 H GLU A 85 11.046 -3.612 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 85 13.130 -3.672 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.640 -1.904 -9.167 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.928 -1.757 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.497 -4.148 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.158 -4.223 -9.938 1.00 0.00 H new ATOM 1288 N ALA A 86 14.079 -1.433 -8.381 1.00 0.00 N ATOM 1289 CA ALA A 86 14.770 -0.371 -7.598 1.00 0.00 C ATOM 1290 C ALA A 86 13.795 0.778 -7.334 1.00 0.00 C ATOM 1291 O ALA A 86 12.959 1.097 -8.156 1.00 0.00 O ATOM 1292 CB ALA A 86 15.970 0.151 -8.391 1.00 0.00 C ATOM 0 H ALA A 86 14.477 -1.624 -9.301 1.00 0.00 H new ATOM 0 HA ALA A 86 15.115 -0.784 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.475 0.928 -7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.664 -0.668 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.627 0.565 -9.339 1.00 0.00 H new ATOM 1298 N LYS A 87 13.891 1.402 -6.191 1.00 0.00 N ATOM 1299 CA LYS A 87 12.965 2.527 -5.878 1.00 0.00 C ATOM 1300 C LYS A 87 13.100 3.611 -6.948 1.00 0.00 C ATOM 1301 O LYS A 87 12.133 4.235 -7.338 1.00 0.00 O ATOM 1302 CB LYS A 87 13.317 3.114 -4.509 1.00 0.00 C ATOM 1303 CG LYS A 87 12.280 4.172 -4.127 1.00 0.00 C ATOM 1304 CD LYS A 87 12.662 4.802 -2.786 1.00 0.00 C ATOM 1305 CE LYS A 87 11.545 5.742 -2.328 1.00 0.00 C ATOM 1306 NZ LYS A 87 11.523 6.950 -3.201 1.00 0.00 N ATOM 0 H LYS A 87 14.569 1.182 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 87 11.939 2.159 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.341 2.324 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.312 3.558 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.227 4.939 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.291 3.719 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.826 4.024 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.598 5.352 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.584 5.230 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.703 6.033 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.675 7.515 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.373 7.522 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.506 6.657 -4.199 1.00 0.00 H new ATOM 1320 N LEU A 88 14.292 3.841 -7.428 1.00 0.00 N ATOM 1321 CA LEU A 88 14.485 4.885 -8.473 1.00 0.00 C ATOM 1322 C LEU A 88 14.424 4.237 -9.858 1.00 0.00 C ATOM 1323 O LEU A 88 14.909 3.143 -10.063 1.00 0.00 O ATOM 1324 CB LEU A 88 15.851 5.551 -8.282 1.00 0.00 C ATOM 1325 CG LEU A 88 15.964 6.087 -6.853 1.00 0.00 C ATOM 1326 CD1 LEU A 88 17.283 6.847 -6.696 1.00 0.00 C ATOM 1327 CD2 LEU A 88 14.796 7.034 -6.569 1.00 0.00 C ATOM 0 H LEU A 88 15.140 3.351 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 88 13.699 5.635 -8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.648 4.833 -8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.974 6.364 -8.997 1.00 0.00 H new ATOM 0 HG LEU A 88 15.937 5.254 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.364 7.229 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 88 18.117 6.175 -6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 88 17.309 7.679 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 88 14.876 7.416 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 88 14.823 7.866 -7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.855 6.495 -6.681 1.00 0.00 H new ATOM 1339 N GLN A 89 13.831 4.905 -10.809 1.00 0.00 N ATOM 1340 CA GLN A 89 13.739 4.327 -12.180 1.00 0.00 C ATOM 1341 C GLN A 89 15.127 4.313 -12.821 1.00 0.00 C ATOM 1342 O GLN A 89 15.428 3.357 -13.517 1.00 0.00 O ATOM 1343 CB GLN A 89 12.791 5.176 -13.029 1.00 0.00 C ATOM 1344 CG GLN A 89 11.385 5.128 -12.429 1.00 0.00 C ATOM 1345 CD GLN A 89 10.416 5.883 -13.340 1.00 0.00 C ATOM 1346 OE1 GLN A 89 10.870 6.472 -14.412 1.00 0.00 O flip ATOM 1347 NE2 GLN A 89 9.231 5.936 -13.075 1.00 0.00 N flip ATOM 1348 OXT GLN A 89 15.867 5.260 -12.608 1.00 0.00 O ATOM 0 H GLN A 89 13.406 5.826 -10.696 1.00 0.00 H new ATOM 0 HA GLN A 89 13.357 3.308 -12.120 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.146 6.206 -13.069 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.773 4.805 -14.054 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.062 4.093 -12.315 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.387 5.573 -11.434 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.875 5.476 -12.237 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.593 6.440 -13.690 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O8 7V9 A 101 -9.860 -3.420 7.485 1.00 0.00 O HETATM 1359 P 7V9 A 101 -11.984 4.781 7.371 1.00 0.00 P HETATM 1360 C4 7V9 A 101 -10.208 0.345 10.900 1.00 0.00 C HETATM 1361 C2 7V9 A 101 -10.435 2.433 9.546 1.00 0.00 C HETATM 1362 O1P 7V9 A 101 -12.277 3.474 6.742 1.00 0.00 O HETATM 1363 O2P 7V9 A 101 -13.076 5.558 7.999 1.00 0.00 O HETATM 1364 O3P 7V9 A 101 -10.826 4.563 8.467 1.00 0.00 O HETATM 1365 C1 7V9 A 101 -11.340 3.665 9.456 1.00 0.00 C HETATM 1366 CE1 7V9 A 101 -9.191 2.773 10.370 1.00 0.00 C HETATM 1367 CE2 7V9 A 101 -10.012 2.002 8.140 1.00 0.00 C HETATM 1368 C3 7V9 A 101 -11.197 1.292 10.220 1.00 0.00 C HETATM 1369 O3 7V9 A 101 -12.079 1.829 11.197 1.00 0.00 O HETATM 1370 O4 7V9 A 101 -10.297 0.085 12.083 1.00 0.00 O HETATM 1371 N5 7V9 A 101 -9.293 -0.209 10.152 1.00 0.00 N HETATM 1372 C6 7V9 A 101 -9.636 -1.387 9.307 1.00 0.00 C HETATM 1373 C7 7V9 A 101 -8.399 -1.828 8.521 1.00 0.00 C HETATM 1374 C8 7V9 A 101 -8.815 -2.803 7.418 1.00 0.00 C HETATM 1375 N9 7V9 A 101 -8.026 -2.913 6.384 1.00 0.00 N HETATM 1376 C10 7V9 A 101 -8.510 -3.575 5.138 1.00 0.00 C HETATM 1377 C11 7V9 A 101 -7.483 -4.615 4.683 1.00 0.00 C HETATM 1378 S12 7V9 A 101 -6.720 -4.073 3.134 1.00 0.00 S HETATM 1379 C13 7V9 A 101 -5.216 -5.073 3.263 1.00 0.00 C HETATM 1380 O13 7V9 A 101 -4.606 -5.121 4.313 1.00 0.00 O HETATM 1381 C14 7V9 A 101 -4.585 -4.592 2.109 1.00 0.00 C HETATM 1382 C15 7V9 A 101 -3.406 -3.845 2.218 1.00 0.00 C HETATM 1383 N16 7V9 A 101 -2.680 -3.555 1.127 1.00 0.00 N HETATM 1384 C17 7V9 A 101 -3.057 -3.967 -0.094 1.00 0.00 C HETATM 1385 C18 7V9 A 101 -4.228 -4.716 -0.260 1.00 0.00 C HETATM 1386 C19 7V9 A 101 -5.001 -5.034 0.855 1.00 0.00 C