USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN :FLIP amide:sc= 0.101 F(o=-0.51,f=0.11) USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= 0.00501 F(o=-0.51!,f=0.11) USER MOD Set 2.1: A 1 MET CE :methyl -170:sc= -0.161 (180deg=-0.342) USER MOD Set 2.2: A 15 MET CE :methyl -157:sc= 0 (180deg=-0.41) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.13 (180deg=1.71) USER MOD Single : A 7 ASN : amide:sc= 1.03 K(o=1,f=-9.3!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.13) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -26:sc= 0.236 USER MOD Single : A 17 TYR OH : rot 111:sc= 0.159 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.88 K(o=1.9,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 45 MET CE :methyl -142:sc= -0.0091 (180deg=-0.419) USER MOD Single : A 49 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 77 LYS NZ :NH3+ 178:sc= 1.69 (180deg=1.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.844 0.291 -5.444 1.00 0.00 N ATOM 2 CA MET A 1 5.679 -0.593 -5.201 1.00 0.00 C ATOM 3 C MET A 1 4.403 0.128 -5.635 1.00 0.00 C ATOM 4 O MET A 1 4.220 1.318 -5.374 1.00 0.00 O ATOM 5 CB MET A 1 5.597 -1.102 -3.747 1.00 0.00 C ATOM 6 CG MET A 1 4.521 -2.176 -3.542 1.00 0.00 C ATOM 7 SD MET A 1 4.485 -2.844 -1.859 1.00 0.00 S ATOM 8 CE MET A 1 3.435 -4.300 -2.119 1.00 0.00 C ATOM 0 H1 MET A 1 7.723 -0.249 -5.312 1.00 0.00 H new ATOM 0 H2 MET A 1 6.805 0.657 -6.417 1.00 0.00 H new ATOM 0 H3 MET A 1 6.822 1.086 -4.774 1.00 0.00 H new ATOM 0 HA MET A 1 5.803 -1.493 -5.804 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.566 -1.508 -3.456 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.392 -0.260 -3.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.545 -1.752 -3.778 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.693 -2.991 -4.245 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.163 -4.729 -1.155 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.532 -4.006 -2.653 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.979 -5.041 -2.705 1.00 0.00 H new ATOM 20 N GLU A 2 3.536 -0.600 -6.333 1.00 0.00 N ATOM 21 CA GLU A 2 2.616 -0.089 -7.339 1.00 0.00 C ATOM 22 C GLU A 2 1.340 -0.917 -7.158 1.00 0.00 C ATOM 23 O GLU A 2 1.450 -2.138 -7.103 1.00 0.00 O ATOM 24 CB GLU A 2 3.305 -0.346 -8.703 1.00 0.00 C ATOM 25 CG GLU A 2 3.923 0.894 -9.365 1.00 0.00 C ATOM 26 CD GLU A 2 5.062 1.544 -8.552 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.986 0.833 -8.085 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.052 2.789 -8.394 1.00 0.00 O ATOM 0 H GLU A 2 3.454 -1.609 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 2 2.372 0.971 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.088 -1.092 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.573 -0.777 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.306 0.615 -10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.139 1.634 -9.527 1.00 0.00 H new ATOM 35 N ILE A 3 0.157 -0.310 -7.012 1.00 0.00 N ATOM 36 CA ILE A 3 -1.064 -1.009 -6.587 1.00 0.00 C ATOM 37 C ILE A 3 -2.142 -0.816 -7.665 1.00 0.00 C ATOM 38 O ILE A 3 -2.177 0.225 -8.330 1.00 0.00 O ATOM 39 CB ILE A 3 -1.546 -0.484 -5.213 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.439 -0.433 -4.136 1.00 0.00 C ATOM 41 CG2 ILE A 3 -2.734 -1.304 -4.662 1.00 0.00 C ATOM 42 CD1 ILE A 3 0.244 -1.754 -3.762 1.00 0.00 C ATOM 0 H ILE A 3 0.018 0.685 -7.186 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.858 -2.073 -6.470 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.862 0.539 -5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.331 0.259 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.871 -0.009 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.038 -0.900 -3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.570 -1.247 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.433 -2.345 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.998 -1.570 -2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.500 -2.452 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.720 -2.180 -4.645 1.00 0.00 H new ATOM 54 N GLU A 4 -3.052 -1.784 -7.809 1.00 0.00 N ATOM 55 CA GLU A 4 -4.202 -1.723 -8.698 1.00 0.00 C ATOM 56 C GLU A 4 -5.418 -2.378 -8.030 1.00 0.00 C ATOM 57 O GLU A 4 -5.283 -3.342 -7.270 1.00 0.00 O ATOM 58 CB GLU A 4 -3.833 -2.470 -9.980 1.00 0.00 C ATOM 59 CG GLU A 4 -4.928 -2.426 -11.039 1.00 0.00 C ATOM 60 CD GLU A 4 -5.257 -0.996 -11.507 1.00 0.00 C ATOM 61 OE1 GLU A 4 -6.084 -0.329 -10.840 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.698 -0.539 -12.534 1.00 0.00 O ATOM 0 H GLU A 4 -3.001 -2.660 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.461 -0.688 -8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.920 -2.040 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.614 -3.510 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.619 -3.021 -11.898 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.831 -2.888 -10.639 1.00 0.00 H new ATOM 69 N ARG A 5 -6.620 -1.922 -8.393 1.00 0.00 N ATOM 70 CA ARG A 5 -7.894 -2.480 -7.948 1.00 0.00 C ATOM 71 C ARG A 5 -8.577 -3.053 -9.184 1.00 0.00 C ATOM 72 O ARG A 5 -9.069 -2.308 -10.030 1.00 0.00 O ATOM 73 CB ARG A 5 -8.726 -1.396 -7.239 1.00 0.00 C ATOM 74 CG ARG A 5 -9.107 -1.803 -5.814 1.00 0.00 C ATOM 75 CD ARG A 5 -10.171 -2.905 -5.720 1.00 0.00 C ATOM 76 NE ARG A 5 -10.580 -3.071 -4.316 1.00 0.00 N ATOM 77 CZ ARG A 5 -10.734 -4.197 -3.619 1.00 0.00 C ATOM 78 NH1 ARG A 5 -10.692 -5.399 -4.186 1.00 0.00 N ATOM 79 NH2 ARG A 5 -10.912 -4.076 -2.317 1.00 0.00 N ATOM 0 H ARG A 5 -6.734 -1.129 -9.025 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.764 -3.275 -7.214 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.159 -0.465 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.631 -1.200 -7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.209 -2.140 -5.295 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.469 -0.922 -5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.034 -2.646 -6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.774 -3.843 -6.108 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.772 -2.208 -3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.537 -5.484 -5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.815 -6.236 -3.616 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.927 -3.151 -1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.035 -4.908 -1.740 1.00 0.00 H new ATOM 93 N ILE A 6 -8.542 -4.381 -9.311 1.00 0.00 N ATOM 94 CA ILE A 6 -9.091 -5.073 -10.476 1.00 0.00 C ATOM 95 C ILE A 6 -10.615 -4.953 -10.439 1.00 0.00 C ATOM 96 O ILE A 6 -11.245 -4.483 -11.388 1.00 0.00 O ATOM 97 CB ILE A 6 -8.641 -6.546 -10.460 1.00 0.00 C ATOM 98 CG1 ILE A 6 -7.112 -6.671 -10.312 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.142 -7.300 -11.704 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.295 -5.935 -11.377 1.00 0.00 C ATOM 0 H ILE A 6 -8.134 -5.003 -8.613 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.726 -4.624 -11.399 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.094 -7.012 -9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.825 -6.293 -9.331 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.845 -7.728 -10.337 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.807 -8.336 -11.661 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.231 -7.272 -11.732 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.743 -6.827 -12.601 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.232 -6.083 -11.187 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.545 -6.327 -12.363 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.525 -4.870 -11.341 1.00 0.00 H new ATOM 112 N ASN A 7 -11.186 -5.386 -9.315 1.00 0.00 N ATOM 113 CA ASN A 7 -12.614 -5.365 -9.014 1.00 0.00 C ATOM 114 C ASN A 7 -12.779 -5.397 -7.490 1.00 0.00 C ATOM 115 O ASN A 7 -11.789 -5.296 -6.767 1.00 0.00 O ATOM 116 CB ASN A 7 -13.353 -6.523 -9.739 1.00 0.00 C ATOM 117 CG ASN A 7 -13.168 -7.924 -9.156 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.456 -8.134 -8.183 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.814 -8.921 -9.732 1.00 0.00 N ATOM 0 H ASN A 7 -10.635 -5.781 -8.552 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.076 -4.452 -9.389 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.419 -6.295 -9.746 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.023 -6.540 -10.778 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.720 -9.868 -9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.407 -8.744 -10.543 1.00 0.00 H new ATOM 126 N GLU A 8 -14.004 -5.560 -6.991 1.00 0.00 N ATOM 127 CA GLU A 8 -14.335 -5.507 -5.561 1.00 0.00 C ATOM 128 C GLU A 8 -13.617 -6.585 -4.720 1.00 0.00 C ATOM 129 O GLU A 8 -13.595 -6.493 -3.492 1.00 0.00 O ATOM 130 CB GLU A 8 -15.866 -5.624 -5.433 1.00 0.00 C ATOM 131 CG GLU A 8 -16.455 -5.108 -4.110 1.00 0.00 C ATOM 132 CD GLU A 8 -16.286 -3.585 -3.954 1.00 0.00 C ATOM 133 OE1 GLU A 8 -17.145 -2.824 -4.463 1.00 0.00 O ATOM 134 OE2 GLU A 8 -15.304 -3.135 -3.317 1.00 0.00 O ATOM 0 H GLU A 8 -14.816 -5.737 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.980 -4.559 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.326 -5.076 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.145 -6.671 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.514 -5.361 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.968 -5.613 -3.276 1.00 0.00 H new ATOM 141 N HIS A 9 -13.005 -7.600 -5.349 1.00 0.00 N ATOM 142 CA HIS A 9 -12.453 -8.765 -4.661 1.00 0.00 C ATOM 143 C HIS A 9 -10.966 -8.929 -4.976 1.00 0.00 C ATOM 144 O HIS A 9 -10.160 -9.007 -4.051 1.00 0.00 O ATOM 145 CB HIS A 9 -13.262 -10.007 -5.066 1.00 0.00 C ATOM 146 CG HIS A 9 -14.743 -9.936 -4.762 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.756 -10.425 -5.557 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.340 -9.391 -3.652 1.00 0.00 C ATOM 149 CE1 HIS A 9 -16.927 -10.182 -4.942 1.00 0.00 C ATOM 150 NE2 HIS A 9 -16.727 -9.545 -3.773 1.00 0.00 N ATOM 0 H HIS A 9 -12.881 -7.630 -6.361 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.531 -8.629 -3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.134 -10.172 -6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.844 -10.876 -4.557 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.827 -8.923 -2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.895 -10.460 -5.332 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.439 -9.238 -3.111 1.00 0.00 H new ATOM 158 N THR A 10 -10.591 -8.945 -6.250 1.00 0.00 N ATOM 159 CA THR A 10 -9.211 -9.100 -6.678 1.00 0.00 C ATOM 160 C THR A 10 -8.510 -7.745 -6.572 1.00 0.00 C ATOM 161 O THR A 10 -9.058 -6.706 -6.949 1.00 0.00 O ATOM 162 CB THR A 10 -9.202 -9.668 -8.111 1.00 0.00 C ATOM 163 OG1 THR A 10 -9.930 -10.889 -8.109 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.802 -9.956 -8.660 1.00 0.00 C ATOM 0 H THR A 10 -11.249 -8.849 -7.024 1.00 0.00 H new ATOM 0 HA THR A 10 -8.667 -9.800 -6.044 1.00 0.00 H new ATOM 0 HB THR A 10 -9.646 -8.907 -8.753 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.938 -11.267 -9.013 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.883 -10.353 -9.672 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.221 -9.034 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.304 -10.687 -8.022 1.00 0.00 H new ATOM 172 N VAL A 11 -7.253 -7.769 -6.143 1.00 0.00 N ATOM 173 CA VAL A 11 -6.320 -6.660 -6.294 1.00 0.00 C ATOM 174 C VAL A 11 -5.060 -7.242 -6.923 1.00 0.00 C ATOM 175 O VAL A 11 -4.815 -8.449 -6.829 1.00 0.00 O ATOM 176 CB VAL A 11 -6.058 -5.933 -4.953 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.332 -5.260 -4.432 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.512 -6.834 -3.838 1.00 0.00 C ATOM 0 H VAL A 11 -6.847 -8.577 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.731 -5.882 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.290 -5.197 -5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.118 -4.757 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.682 -4.530 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.103 -6.014 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.358 -6.243 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.226 -7.631 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.564 -7.269 -4.153 1.00 0.00 H new ATOM 188 N LYS A 12 -4.242 -6.404 -7.551 1.00 0.00 N ATOM 189 CA LYS A 12 -2.886 -6.800 -7.890 1.00 0.00 C ATOM 190 C LYS A 12 -1.953 -5.670 -7.521 1.00 0.00 C ATOM 191 O LYS A 12 -2.393 -4.539 -7.312 1.00 0.00 O ATOM 192 CB LYS A 12 -2.772 -7.264 -9.352 1.00 0.00 C ATOM 193 CG LYS A 12 -2.502 -6.190 -10.402 1.00 0.00 C ATOM 194 CD LYS A 12 -2.353 -6.840 -11.787 1.00 0.00 C ATOM 195 CE LYS A 12 -2.061 -5.734 -12.800 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.476 -6.250 -14.066 1.00 0.00 N ATOM 0 H LYS A 12 -4.494 -5.456 -7.832 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.591 -7.677 -7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.973 -8.004 -9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.698 -7.773 -9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.319 -5.468 -10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.595 -5.641 -10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.546 -7.572 -11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.264 -7.373 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.984 -5.200 -13.023 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.375 -5.013 -12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.683 -5.587 -14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.446 -6.346 -13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.889 -7.179 -14.286 1.00 0.00 H new ATOM 210 N PHE A 13 -0.672 -5.977 -7.456 1.00 0.00 N ATOM 211 CA PHE A 13 0.356 -5.000 -7.192 1.00 0.00 C ATOM 212 C PHE A 13 1.634 -5.442 -7.889 1.00 0.00 C ATOM 213 O PHE A 13 1.782 -6.595 -8.290 1.00 0.00 O ATOM 214 CB PHE A 13 0.537 -4.826 -5.676 1.00 0.00 C ATOM 215 CG PHE A 13 0.884 -6.070 -4.893 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.129 -6.939 -4.451 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.224 -6.322 -4.552 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.196 -8.040 -3.641 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.547 -7.402 -3.717 1.00 0.00 C ATOM 220 CZ PHE A 13 1.529 -8.247 -3.239 1.00 0.00 C ATOM 0 H PHE A 13 -0.316 -6.924 -7.587 1.00 0.00 H new ATOM 0 HA PHE A 13 0.076 -4.023 -7.587 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.321 -4.087 -5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.385 -4.411 -5.267 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.156 -6.760 -4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.007 -5.683 -4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.576 -8.727 -3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.575 -7.584 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.770 -9.055 -2.564 1.00 0.00 H new ATOM 230 N TYR A 14 2.576 -4.520 -7.996 1.00 0.00 N ATOM 231 CA TYR A 14 3.908 -4.753 -8.483 1.00 0.00 C ATOM 232 C TYR A 14 4.847 -4.259 -7.390 1.00 0.00 C ATOM 233 O TYR A 14 4.608 -3.214 -6.777 1.00 0.00 O ATOM 234 CB TYR A 14 4.077 -4.053 -9.832 1.00 0.00 C ATOM 235 CG TYR A 14 5.520 -4.018 -10.247 1.00 0.00 C ATOM 236 CD1 TYR A 14 6.107 -5.177 -10.778 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.297 -2.886 -9.958 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.481 -5.208 -11.047 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.684 -2.916 -10.200 1.00 0.00 C ATOM 240 CZ TYR A 14 8.281 -4.072 -10.763 1.00 0.00 C ATOM 241 OH TYR A 14 9.619 -4.106 -11.033 1.00 0.00 O ATOM 0 H TYR A 14 2.417 -3.548 -7.732 1.00 0.00 H new ATOM 0 HA TYR A 14 4.130 -5.802 -8.677 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.490 -4.572 -10.590 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.689 -3.036 -9.769 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.498 -6.046 -10.979 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.835 -1.998 -9.553 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.930 -6.095 -11.470 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.293 -2.058 -9.957 1.00 0.00 H new ATOM 0 HH TYR A 14 10.025 -3.250 -10.782 1.00 0.00 H new ATOM 251 N MET A 15 5.885 -5.034 -7.108 1.00 0.00 N ATOM 252 CA MET A 15 6.773 -4.849 -5.979 1.00 0.00 C ATOM 253 C MET A 15 8.183 -4.973 -6.524 1.00 0.00 C ATOM 254 O MET A 15 8.547 -6.028 -7.049 1.00 0.00 O ATOM 255 CB MET A 15 6.468 -5.946 -4.957 1.00 0.00 C ATOM 256 CG MET A 15 7.130 -5.715 -3.621 1.00 0.00 C ATOM 257 SD MET A 15 6.576 -6.914 -2.385 1.00 0.00 S ATOM 258 CE MET A 15 6.674 -5.907 -0.885 1.00 0.00 C ATOM 0 H MET A 15 6.137 -5.838 -7.683 1.00 0.00 H new ATOM 0 HA MET A 15 6.651 -3.883 -5.488 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.389 -6.011 -4.814 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.795 -6.906 -5.356 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.212 -5.782 -3.734 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.908 -4.706 -3.274 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.769 -6.558 -0.016 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.542 -5.250 -0.944 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.770 -5.306 -0.791 1.00 0.00 H new ATOM 268 N SER A 16 8.964 -3.903 -6.451 1.00 0.00 N ATOM 269 CA SER A 16 10.331 -3.946 -6.949 1.00 0.00 C ATOM 270 C SER A 16 11.188 -4.698 -5.928 1.00 0.00 C ATOM 271 O SER A 16 10.854 -4.738 -4.745 1.00 0.00 O ATOM 272 CB SER A 16 10.855 -2.530 -7.200 1.00 0.00 C ATOM 273 OG SER A 16 9.938 -1.759 -7.968 1.00 0.00 O ATOM 0 H SER A 16 8.679 -3.006 -6.057 1.00 0.00 H new ATOM 0 HA SER A 16 10.373 -4.470 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.038 -2.035 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.811 -2.583 -7.720 1.00 0.00 H new ATOM 0 HG SER A 16 9.393 -2.356 -8.523 1.00 0.00 H new ATOM 279 N TYR A 17 12.317 -5.271 -6.347 1.00 0.00 N ATOM 280 CA TYR A 17 13.189 -6.007 -5.431 1.00 0.00 C ATOM 281 C TYR A 17 13.609 -5.157 -4.241 1.00 0.00 C ATOM 282 O TYR A 17 13.509 -5.608 -3.106 1.00 0.00 O ATOM 283 CB TYR A 17 14.412 -6.561 -6.165 1.00 0.00 C ATOM 284 CG TYR A 17 14.108 -7.559 -7.264 1.00 0.00 C ATOM 285 CD1 TYR A 17 13.080 -8.510 -7.112 1.00 0.00 C ATOM 286 CD2 TYR A 17 14.879 -7.546 -8.441 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.844 -9.456 -8.122 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.648 -8.493 -9.452 1.00 0.00 C ATOM 289 CZ TYR A 17 13.630 -9.463 -9.295 1.00 0.00 C ATOM 290 OH TYR A 17 13.389 -10.403 -10.250 1.00 0.00 O ATOM 0 H TYR A 17 12.648 -5.240 -7.311 1.00 0.00 H new ATOM 0 HA TYR A 17 12.613 -6.847 -5.042 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.965 -5.727 -6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.069 -7.036 -5.436 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.473 -8.511 -6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.653 -6.803 -8.568 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.055 -10.184 -8.001 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.248 -8.481 -10.350 1.00 0.00 H new ATOM 0 HH TYR A 17 13.008 -9.973 -11.044 1.00 0.00 H new ATOM 300 N GLY A 18 13.981 -3.898 -4.455 1.00 0.00 N ATOM 301 CA GLY A 18 14.424 -3.071 -3.349 1.00 0.00 C ATOM 302 C GLY A 18 13.276 -2.542 -2.486 1.00 0.00 C ATOM 303 O GLY A 18 13.539 -2.069 -1.385 1.00 0.00 O ATOM 0 H GLY A 18 13.984 -3.440 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.103 -3.649 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.992 -2.227 -3.741 1.00 0.00 H new ATOM 307 N ASP A 19 12.008 -2.690 -2.897 1.00 0.00 N ATOM 308 CA ASP A 19 10.871 -2.471 -1.990 1.00 0.00 C ATOM 309 C ASP A 19 10.892 -3.538 -0.897 1.00 0.00 C ATOM 310 O ASP A 19 10.543 -3.265 0.255 1.00 0.00 O ATOM 311 CB ASP A 19 9.513 -2.563 -2.714 1.00 0.00 C ATOM 312 CG ASP A 19 9.187 -1.381 -3.623 1.00 0.00 C ATOM 313 OD1 ASP A 19 9.278 -0.213 -3.184 1.00 0.00 O ATOM 314 OD2 ASP A 19 8.701 -1.633 -4.749 1.00 0.00 O ATOM 0 H ASP A 19 11.745 -2.959 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 19 10.975 -1.467 -1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.497 -3.476 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.725 -2.656 -1.967 1.00 0.00 H new ATOM 319 N ILE A 20 11.292 -4.756 -1.266 1.00 0.00 N ATOM 320 CA ILE A 20 11.360 -5.916 -0.391 1.00 0.00 C ATOM 321 C ILE A 20 12.615 -5.767 0.485 1.00 0.00 C ATOM 322 O ILE A 20 12.527 -5.976 1.697 1.00 0.00 O ATOM 323 CB ILE A 20 11.302 -7.200 -1.273 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.926 -7.265 -1.972 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.527 -8.492 -0.483 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.859 -8.147 -3.224 1.00 0.00 C ATOM 0 H ILE A 20 11.588 -4.964 -2.220 1.00 0.00 H new ATOM 0 HA ILE A 20 10.518 -5.997 0.296 1.00 0.00 H new ATOM 0 HB ILE A 20 12.114 -7.128 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.191 -7.628 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.630 -6.253 -2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.473 -9.346 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.509 -8.464 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.759 -8.588 0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.849 -8.121 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.563 -7.776 -3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.117 -9.173 -2.961 1.00 0.00 H new ATOM 338 N GLU A 21 13.740 -5.310 -0.086 1.00 0.00 N ATOM 339 CA GLU A 21 14.950 -5.016 0.683 1.00 0.00 C ATOM 340 C GLU A 21 14.699 -3.921 1.731 1.00 0.00 C ATOM 341 O GLU A 21 15.235 -3.997 2.837 1.00 0.00 O ATOM 342 CB GLU A 21 16.101 -4.533 -0.215 1.00 0.00 C ATOM 343 CG GLU A 21 16.525 -5.472 -1.349 1.00 0.00 C ATOM 344 CD GLU A 21 17.828 -4.995 -2.017 1.00 0.00 C ATOM 345 OE1 GLU A 21 17.766 -4.205 -2.989 1.00 0.00 O ATOM 346 OE2 GLU A 21 18.926 -5.412 -1.577 1.00 0.00 O ATOM 0 H GLU A 21 13.833 -5.136 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 21 15.224 -5.953 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.814 -3.577 -0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.970 -4.346 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.663 -6.479 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.731 -5.526 -2.094 1.00 0.00 H new ATOM 353 N ASP A 22 13.895 -2.904 1.405 1.00 0.00 N ATOM 354 CA ASP A 22 13.625 -1.769 2.295 1.00 0.00 C ATOM 355 C ASP A 22 12.867 -2.220 3.535 1.00 0.00 C ATOM 356 O ASP A 22 13.177 -1.833 4.665 1.00 0.00 O ATOM 357 CB ASP A 22 12.771 -0.726 1.579 1.00 0.00 C ATOM 358 CG ASP A 22 12.514 0.479 2.499 1.00 0.00 C ATOM 359 OD1 ASP A 22 13.464 1.257 2.756 1.00 0.00 O ATOM 360 OD2 ASP A 22 11.363 0.657 2.959 1.00 0.00 O ATOM 0 H ASP A 22 13.410 -2.844 0.510 1.00 0.00 H new ATOM 0 HA ASP A 22 14.587 -1.344 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.274 -0.397 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.822 -1.169 1.276 1.00 0.00 H new ATOM 365 N ARG A 23 11.892 -3.098 3.297 1.00 0.00 N ATOM 366 CA ARG A 23 11.126 -3.785 4.333 1.00 0.00 C ATOM 367 C ARG A 23 11.997 -4.786 5.101 1.00 0.00 C ATOM 368 O ARG A 23 11.550 -5.320 6.116 1.00 0.00 O ATOM 369 CB ARG A 23 9.896 -4.447 3.686 1.00 0.00 C ATOM 370 CG ARG A 23 8.887 -3.415 3.167 1.00 0.00 C ATOM 371 CD ARG A 23 7.931 -4.017 2.129 1.00 0.00 C ATOM 372 NE ARG A 23 6.894 -3.042 1.756 1.00 0.00 N ATOM 373 CZ ARG A 23 7.039 -1.928 1.033 1.00 0.00 C ATOM 374 NH1 ARG A 23 8.206 -1.604 0.471 1.00 0.00 N ATOM 375 NH2 ARG A 23 5.993 -1.129 0.884 1.00 0.00 N ATOM 0 H ARG A 23 11.607 -3.357 2.352 1.00 0.00 H new ATOM 0 HA ARG A 23 10.780 -3.064 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.219 -5.083 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.408 -5.094 4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.311 -3.019 4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.423 -2.576 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.490 -4.319 1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.465 -4.916 2.533 1.00 0.00 H new ATOM 0 HE ARG A 23 5.951 -3.241 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.015 -2.213 0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.288 -0.747 -0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.101 -1.370 1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.079 -0.273 0.336 1.00 0.00 H new ATOM 389 N GLY A 24 13.224 -5.046 4.648 1.00 0.00 N ATOM 390 CA GLY A 24 14.171 -5.933 5.302 1.00 0.00 C ATOM 391 C GLY A 24 13.868 -7.413 5.055 1.00 0.00 C ATOM 392 O GLY A 24 14.435 -8.273 5.736 1.00 0.00 O ATOM 0 H GLY A 24 13.591 -4.631 3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.177 -5.709 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.162 -5.739 6.375 1.00 0.00 H new ATOM 396 N PHE A 25 12.986 -7.714 4.095 1.00 0.00 N ATOM 397 CA PHE A 25 12.830 -9.058 3.543 1.00 0.00 C ATOM 398 C PHE A 25 13.870 -9.220 2.417 1.00 0.00 C ATOM 399 O PHE A 25 14.742 -8.363 2.231 1.00 0.00 O ATOM 400 CB PHE A 25 11.372 -9.266 3.077 1.00 0.00 C ATOM 401 CG PHE A 25 10.313 -9.123 4.162 1.00 0.00 C ATOM 402 CD1 PHE A 25 9.960 -7.837 4.602 1.00 0.00 C ATOM 403 CD2 PHE A 25 9.680 -10.241 4.739 1.00 0.00 C ATOM 404 CE1 PHE A 25 9.047 -7.657 5.652 1.00 0.00 C ATOM 405 CE2 PHE A 25 8.756 -10.062 5.780 1.00 0.00 C ATOM 406 CZ PHE A 25 8.443 -8.775 6.249 1.00 0.00 C ATOM 0 H PHE A 25 12.358 -7.026 3.679 1.00 0.00 H new ATOM 0 HA PHE A 25 13.015 -9.832 4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.156 -8.549 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.287 -10.260 2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.398 -6.973 4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.905 -11.235 4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.810 -6.662 6.000 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.280 -10.923 6.226 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.744 -8.647 7.062 1.00 0.00 H new ATOM 416 N ASP A 26 13.786 -10.303 1.644 1.00 0.00 N ATOM 417 CA ASP A 26 14.614 -10.499 0.456 1.00 0.00 C ATOM 418 C ASP A 26 13.765 -11.171 -0.609 1.00 0.00 C ATOM 419 O ASP A 26 12.835 -11.903 -0.270 1.00 0.00 O ATOM 420 CB ASP A 26 15.840 -11.359 0.778 1.00 0.00 C ATOM 421 CG ASP A 26 17.063 -10.926 -0.051 1.00 0.00 C ATOM 422 OD1 ASP A 26 16.937 -10.788 -1.289 1.00 0.00 O ATOM 423 OD2 ASP A 26 18.157 -10.739 0.536 1.00 0.00 O ATOM 0 H ASP A 26 13.140 -11.071 1.826 1.00 0.00 H new ATOM 0 HA ASP A 26 14.975 -9.534 0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.072 -11.281 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.615 -12.406 0.577 1.00 0.00 H new ATOM 428 N ARG A 27 14.056 -10.932 -1.886 1.00 0.00 N ATOM 429 CA ARG A 27 13.180 -11.346 -2.982 1.00 0.00 C ATOM 430 C ARG A 27 12.979 -12.859 -3.042 1.00 0.00 C ATOM 431 O ARG A 27 11.906 -13.301 -3.440 1.00 0.00 O ATOM 432 CB ARG A 27 13.692 -10.769 -4.321 1.00 0.00 C ATOM 433 CG ARG A 27 15.022 -11.386 -4.789 1.00 0.00 C ATOM 434 CD ARG A 27 15.584 -10.711 -6.043 1.00 0.00 C ATOM 435 NE ARG A 27 16.882 -11.307 -6.417 1.00 0.00 N ATOM 436 CZ ARG A 27 17.690 -10.896 -7.404 1.00 0.00 C ATOM 437 NH1 ARG A 27 17.346 -9.872 -8.182 1.00 0.00 N ATOM 438 NH2 ARG A 27 18.848 -11.518 -7.609 1.00 0.00 N ATOM 0 H ARG A 27 14.901 -10.448 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 27 12.191 -10.932 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.936 -10.930 -5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.817 -9.691 -4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.754 -11.313 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.874 -12.447 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.878 -10.817 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.706 -9.643 -5.864 1.00 0.00 H new ATOM 0 HE ARG A 27 17.194 -12.110 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.459 -9.391 -8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.969 -9.568 -8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.117 -12.303 -7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.467 -11.209 -8.359 1.00 0.00 H new ATOM 452 N GLU A 28 13.986 -13.647 -2.656 1.00 0.00 N ATOM 453 CA GLU A 28 13.849 -15.097 -2.568 1.00 0.00 C ATOM 454 C GLU A 28 13.252 -15.462 -1.212 1.00 0.00 C ATOM 455 O GLU A 28 12.361 -16.296 -1.137 1.00 0.00 O ATOM 456 CB GLU A 28 15.207 -15.781 -2.761 1.00 0.00 C ATOM 457 CG GLU A 28 15.766 -15.571 -4.169 1.00 0.00 C ATOM 458 CD GLU A 28 17.052 -16.384 -4.402 1.00 0.00 C ATOM 459 OE1 GLU A 28 18.164 -15.868 -4.128 1.00 0.00 O ATOM 460 OE2 GLU A 28 16.966 -17.542 -4.880 1.00 0.00 O ATOM 0 H GLU A 28 14.910 -13.299 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 28 13.185 -15.445 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.915 -15.392 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.104 -16.849 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.015 -15.860 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.973 -14.512 -4.324 1.00 0.00 H new ATOM 467 N GLU A 29 13.714 -14.819 -0.138 1.00 0.00 N ATOM 468 CA GLU A 29 13.352 -15.155 1.235 1.00 0.00 C ATOM 469 C GLU A 29 11.851 -15.085 1.473 1.00 0.00 C ATOM 470 O GLU A 29 11.311 -15.919 2.199 1.00 0.00 O ATOM 471 CB GLU A 29 14.077 -14.200 2.183 1.00 0.00 C ATOM 472 CG GLU A 29 15.574 -14.495 2.253 1.00 0.00 C ATOM 473 CD GLU A 29 15.888 -15.799 3.015 1.00 0.00 C ATOM 474 OE1 GLU A 29 15.572 -15.898 4.226 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.438 -16.743 2.401 1.00 0.00 O ATOM 0 H GLU A 29 14.363 -14.035 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 29 13.654 -16.185 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.924 -13.173 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.644 -14.280 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.974 -14.565 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.082 -13.663 2.740 1.00 0.00 H new ATOM 482 N ILE A 30 11.196 -14.125 0.829 1.00 0.00 N ATOM 483 CA ILE A 30 9.736 -14.023 0.744 1.00 0.00 C ATOM 484 C ILE A 30 9.116 -15.394 0.445 1.00 0.00 C ATOM 485 O ILE A 30 8.217 -15.833 1.157 1.00 0.00 O ATOM 486 CB ILE A 30 9.353 -12.977 -0.325 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.682 -11.558 0.176 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.890 -13.059 -0.795 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.607 -10.873 1.039 1.00 0.00 C ATOM 0 H ILE A 30 11.676 -13.372 0.336 1.00 0.00 H new ATOM 0 HA ILE A 30 9.338 -13.692 1.704 1.00 0.00 H new ATOM 0 HB ILE A 30 9.956 -13.212 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.606 -11.605 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.879 -10.926 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.705 -12.290 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.702 -14.041 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.226 -12.904 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.952 -9.881 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.684 -10.782 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.422 -11.470 1.932 1.00 0.00 H new ATOM 501 N TRP A 31 9.597 -16.082 -0.589 1.00 0.00 N ATOM 502 CA TRP A 31 9.039 -17.354 -1.048 1.00 0.00 C ATOM 503 C TRP A 31 9.461 -18.554 -0.189 1.00 0.00 C ATOM 504 O TRP A 31 8.841 -19.616 -0.305 1.00 0.00 O ATOM 505 CB TRP A 31 9.426 -17.587 -2.511 1.00 0.00 C ATOM 506 CG TRP A 31 9.123 -16.425 -3.407 1.00 0.00 C ATOM 507 CD1 TRP A 31 10.040 -15.740 -4.122 1.00 0.00 C ATOM 508 CD2 TRP A 31 7.853 -15.727 -3.607 1.00 0.00 C ATOM 509 NE1 TRP A 31 9.445 -14.638 -4.705 1.00 0.00 N ATOM 510 CE2 TRP A 31 8.114 -14.543 -4.357 1.00 0.00 C ATOM 511 CE3 TRP A 31 6.518 -15.950 -3.200 1.00 0.00 C ATOM 512 CZ2 TRP A 31 7.121 -13.583 -4.601 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.498 -15.029 -3.516 1.00 0.00 C ATOM 514 CH2 TRP A 31 5.800 -13.834 -4.189 1.00 0.00 C ATOM 0 H TRP A 31 10.396 -15.768 -1.139 1.00 0.00 H new ATOM 0 HA TRP A 31 7.956 -17.277 -0.950 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.492 -17.807 -2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.899 -18.467 -2.881 1.00 0.00 H new ATOM 0 HD1 TRP A 31 11.080 -16.012 -4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.928 -13.979 -5.315 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.275 -16.840 -2.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.369 -12.658 -5.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.477 -15.244 -3.238 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.022 -13.112 -4.389 1.00 0.00 H new ATOM 525 N TYR A 32 10.479 -18.410 0.670 1.00 0.00 N ATOM 526 CA TYR A 32 11.153 -19.535 1.323 1.00 0.00 C ATOM 527 C TYR A 32 11.103 -19.461 2.857 1.00 0.00 C ATOM 528 O TYR A 32 11.708 -20.294 3.535 1.00 0.00 O ATOM 529 CB TYR A 32 12.582 -19.666 0.767 1.00 0.00 C ATOM 530 CG TYR A 32 12.649 -19.901 -0.732 1.00 0.00 C ATOM 531 CD1 TYR A 32 11.940 -20.975 -1.305 1.00 0.00 C ATOM 532 CD2 TYR A 32 13.405 -19.049 -1.554 1.00 0.00 C ATOM 533 CE1 TYR A 32 11.959 -21.173 -2.694 1.00 0.00 C ATOM 534 CE2 TYR A 32 13.402 -19.217 -2.949 1.00 0.00 C ATOM 535 CZ TYR A 32 12.681 -20.289 -3.528 1.00 0.00 C ATOM 536 OH TYR A 32 12.676 -20.482 -4.880 1.00 0.00 O ATOM 0 H TYR A 32 10.859 -17.501 0.932 1.00 0.00 H new ATOM 0 HA TYR A 32 10.608 -20.448 1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.137 -18.759 1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.083 -20.490 1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.380 -21.648 -0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.993 -18.259 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.421 -22.003 -3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.948 -18.530 -3.578 1.00 0.00 H new ATOM 0 HH TYR A 32 13.218 -19.789 -5.311 1.00 0.00 H new ATOM 546 N ASN A 33 10.343 -18.512 3.413 1.00 0.00 N ATOM 547 CA ASN A 33 10.057 -18.381 4.836 1.00 0.00 C ATOM 548 C ASN A 33 8.538 -18.352 4.984 1.00 0.00 C ATOM 549 O ASN A 33 7.913 -17.319 4.742 1.00 0.00 O ATOM 550 CB ASN A 33 10.673 -17.091 5.369 1.00 0.00 C ATOM 551 CG ASN A 33 12.184 -17.151 5.494 1.00 0.00 C ATOM 552 OD1 ASN A 33 12.737 -17.591 6.501 1.00 0.00 O ATOM 553 ND2 ASN A 33 12.868 -16.687 4.471 1.00 0.00 N ATOM 0 H ASN A 33 9.894 -17.786 2.855 1.00 0.00 H new ATOM 0 HA ASN A 33 10.480 -19.210 5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.403 -16.268 4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.244 -16.869 6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.888 -16.685 4.498 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.379 -16.329 3.651 1.00 0.00 H new ATOM 560 N ARG A 34 7.943 -19.496 5.335 1.00 0.00 N ATOM 561 CA ARG A 34 6.496 -19.750 5.321 1.00 0.00 C ATOM 562 C ARG A 34 5.652 -18.749 6.123 1.00 0.00 C ATOM 563 O ARG A 34 4.449 -18.645 5.883 1.00 0.00 O ATOM 564 CB ARG A 34 6.283 -21.199 5.792 1.00 0.00 C ATOM 565 CG ARG A 34 4.796 -21.568 5.856 1.00 0.00 C ATOM 566 CD ARG A 34 4.559 -23.072 5.747 1.00 0.00 C ATOM 567 NE ARG A 34 5.000 -23.797 6.957 1.00 0.00 N ATOM 568 CZ ARG A 34 4.965 -25.125 7.130 1.00 0.00 C ATOM 569 NH1 ARG A 34 4.503 -25.926 6.170 1.00 0.00 N ATOM 570 NH2 ARG A 34 5.393 -25.656 8.275 1.00 0.00 N ATOM 0 H ARG A 34 8.477 -20.306 5.650 1.00 0.00 H new ATOM 0 HA ARG A 34 6.135 -19.608 4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.797 -21.880 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.732 -21.330 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.375 -21.205 6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.265 -21.061 5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.498 -23.260 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.092 -23.460 4.879 1.00 0.00 H new ATOM 0 HE ARG A 34 5.363 -23.237 7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.171 -25.529 5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.482 -26.936 6.314 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.746 -25.052 9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.367 -26.667 8.409 1.00 0.00 H new ATOM 584 N GLU A 35 6.240 -18.024 7.069 1.00 0.00 N ATOM 585 CA GLU A 35 5.549 -17.015 7.847 1.00 0.00 C ATOM 586 C GLU A 35 5.936 -15.592 7.418 1.00 0.00 C ATOM 587 O GLU A 35 5.101 -14.689 7.489 1.00 0.00 O ATOM 588 CB GLU A 35 5.789 -17.253 9.350 1.00 0.00 C ATOM 589 CG GLU A 35 7.219 -17.024 9.876 1.00 0.00 C ATOM 590 CD GLU A 35 8.229 -18.084 9.396 1.00 0.00 C ATOM 591 OE1 GLU A 35 8.753 -17.946 8.265 1.00 0.00 O ATOM 592 OE2 GLU A 35 8.497 -19.055 10.146 1.00 0.00 O ATOM 0 H GLU A 35 7.224 -18.126 7.316 1.00 0.00 H new ATOM 0 HA GLU A 35 4.480 -17.107 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.115 -16.603 9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.504 -18.280 9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.561 -16.039 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.200 -17.019 10.966 1.00 0.00 H new ATOM 599 N ARG A 36 7.165 -15.373 6.937 1.00 0.00 N ATOM 600 CA ARG A 36 7.602 -14.057 6.484 1.00 0.00 C ATOM 601 C ARG A 36 7.062 -13.743 5.091 1.00 0.00 C ATOM 602 O ARG A 36 7.045 -12.579 4.697 1.00 0.00 O ATOM 603 CB ARG A 36 9.120 -13.937 6.527 1.00 0.00 C ATOM 604 CG ARG A 36 9.705 -14.034 7.947 1.00 0.00 C ATOM 605 CD ARG A 36 9.171 -12.994 8.954 1.00 0.00 C ATOM 606 NE ARG A 36 9.690 -11.639 8.684 1.00 0.00 N ATOM 607 CZ ARG A 36 9.310 -10.521 9.321 1.00 0.00 C ATOM 608 NH1 ARG A 36 8.205 -10.488 10.063 1.00 0.00 N ATOM 609 NH2 ARG A 36 10.051 -9.421 9.212 1.00 0.00 N ATOM 0 H ARG A 36 7.876 -16.099 6.853 1.00 0.00 H new ATOM 0 HA ARG A 36 7.191 -13.317 7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.556 -14.722 5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.414 -12.984 6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.502 -15.031 8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.788 -13.931 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.082 -12.979 8.915 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.449 -13.293 9.965 1.00 0.00 H new ATOM 0 HE ARG A 36 10.395 -11.545 7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.628 -11.324 10.156 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.935 -9.627 10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.900 -9.432 8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.769 -8.567 9.693 1.00 0.00 H new ATOM 623 N SER A 37 6.602 -14.754 4.365 1.00 0.00 N ATOM 624 CA SER A 37 5.818 -14.579 3.163 1.00 0.00 C ATOM 625 C SER A 37 4.617 -13.687 3.486 1.00 0.00 C ATOM 626 O SER A 37 4.469 -12.608 2.913 1.00 0.00 O ATOM 627 CB SER A 37 5.387 -15.968 2.663 1.00 0.00 C ATOM 628 OG SER A 37 4.852 -16.739 3.727 1.00 0.00 O ATOM 0 H SER A 37 6.769 -15.731 4.604 1.00 0.00 H new ATOM 0 HA SER A 37 6.393 -14.094 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.642 -15.861 1.874 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.242 -16.485 2.227 1.00 0.00 H new ATOM 0 HG SER A 37 4.582 -17.619 3.390 1.00 0.00 H new ATOM 634 N GLU A 38 3.795 -14.125 4.441 1.00 0.00 N ATOM 635 CA GLU A 38 2.472 -13.614 4.739 1.00 0.00 C ATOM 636 C GLU A 38 2.478 -12.111 5.039 1.00 0.00 C ATOM 637 O GLU A 38 1.516 -11.421 4.703 1.00 0.00 O ATOM 638 CB GLU A 38 1.901 -14.436 5.904 1.00 0.00 C ATOM 639 CG GLU A 38 0.387 -14.573 5.774 1.00 0.00 C ATOM 640 CD GLU A 38 -0.214 -15.380 6.941 1.00 0.00 C ATOM 641 OE1 GLU A 38 -0.293 -16.628 6.842 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.628 -14.773 7.958 1.00 0.00 O ATOM 0 H GLU A 38 4.059 -14.892 5.060 1.00 0.00 H new ATOM 0 HA GLU A 38 1.834 -13.723 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.361 -15.424 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.148 -13.955 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.067 -13.582 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.145 -15.062 4.830 1.00 0.00 H new ATOM 649 N GLU A 39 3.561 -11.587 5.615 1.00 0.00 N ATOM 650 CA GLU A 39 3.685 -10.201 6.029 1.00 0.00 C ATOM 651 C GLU A 39 3.519 -9.249 4.842 1.00 0.00 C ATOM 652 O GLU A 39 2.952 -8.164 4.987 1.00 0.00 O ATOM 653 CB GLU A 39 5.068 -9.970 6.658 1.00 0.00 C ATOM 654 CG GLU A 39 5.681 -11.109 7.480 1.00 0.00 C ATOM 655 CD GLU A 39 5.029 -11.397 8.848 1.00 0.00 C ATOM 656 OE1 GLU A 39 3.807 -11.180 9.027 1.00 0.00 O ATOM 657 OE2 GLU A 39 5.773 -11.820 9.768 1.00 0.00 O ATOM 0 H GLU A 39 4.398 -12.137 5.809 1.00 0.00 H new ATOM 0 HA GLU A 39 2.898 -9.998 6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.764 -9.725 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.001 -9.092 7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.640 -12.021 6.884 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.734 -10.883 7.645 1.00 0.00 H new ATOM 664 N LEU A 40 4.004 -9.670 3.667 1.00 0.00 N ATOM 665 CA LEU A 40 3.845 -8.943 2.412 1.00 0.00 C ATOM 666 C LEU A 40 2.353 -8.734 2.157 1.00 0.00 C ATOM 667 O LEU A 40 1.859 -7.614 2.022 1.00 0.00 O ATOM 668 CB LEU A 40 4.518 -9.738 1.274 1.00 0.00 C ATOM 669 CG LEU A 40 4.527 -9.137 -0.155 1.00 0.00 C ATOM 670 CD1 LEU A 40 3.976 -10.148 -1.161 1.00 0.00 C ATOM 671 CD2 LEU A 40 3.804 -7.796 -0.351 1.00 0.00 C ATOM 0 H LEU A 40 4.526 -10.541 3.566 1.00 0.00 H new ATOM 0 HA LEU A 40 4.326 -7.966 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.554 -9.916 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.031 -10.712 1.219 1.00 0.00 H new ATOM 0 HG LEU A 40 5.580 -8.916 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.989 -9.711 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.594 -11.046 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.952 -10.408 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.885 -7.488 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.752 -7.908 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.260 -7.040 0.288 1.00 0.00 H new ATOM 683 N PHE A 41 1.623 -9.843 2.121 1.00 0.00 N ATOM 684 CA PHE A 41 0.218 -9.888 1.773 1.00 0.00 C ATOM 685 C PHE A 41 -0.611 -9.122 2.804 1.00 0.00 C ATOM 686 O PHE A 41 -1.540 -8.397 2.442 1.00 0.00 O ATOM 687 CB PHE A 41 -0.206 -11.353 1.649 1.00 0.00 C ATOM 688 CG PHE A 41 0.688 -12.101 0.684 1.00 0.00 C ATOM 689 CD1 PHE A 41 0.418 -12.079 -0.696 1.00 0.00 C ATOM 690 CD2 PHE A 41 1.872 -12.694 1.149 1.00 0.00 C ATOM 691 CE1 PHE A 41 1.310 -12.694 -1.591 1.00 0.00 C ATOM 692 CE2 PHE A 41 2.765 -13.311 0.255 1.00 0.00 C ATOM 693 CZ PHE A 41 2.477 -13.319 -1.119 1.00 0.00 C ATOM 0 H PHE A 41 2.010 -10.761 2.341 1.00 0.00 H new ATOM 0 HA PHE A 41 0.045 -9.399 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.168 -11.830 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.240 -11.408 1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.472 -11.591 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.100 -12.676 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.097 -12.686 -2.650 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.667 -13.776 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.150 -13.804 -1.811 1.00 0.00 H new ATOM 703 N TRP A 42 -0.242 -9.219 4.080 1.00 0.00 N ATOM 704 CA TRP A 42 -0.854 -8.418 5.122 1.00 0.00 C ATOM 705 C TRP A 42 -0.701 -6.919 4.856 1.00 0.00 C ATOM 706 O TRP A 42 -1.648 -6.185 5.125 1.00 0.00 O ATOM 707 CB TRP A 42 -0.303 -8.815 6.494 1.00 0.00 C ATOM 708 CG TRP A 42 -1.002 -9.999 7.087 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.475 -11.230 7.255 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.393 -10.101 7.524 1.00 0.00 C ATOM 711 NE1 TRP A 42 -1.427 -12.079 7.774 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.639 -11.445 7.943 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.478 -9.201 7.581 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.901 -11.869 8.389 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.748 -9.615 8.028 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.962 -10.947 8.429 1.00 0.00 C ATOM 0 H TRP A 42 0.485 -9.852 4.412 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.925 -8.622 5.118 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.760 -9.037 6.402 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.394 -7.968 7.174 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.541 -11.508 7.018 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.256 -13.058 8.005 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.332 -8.175 7.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.055 -12.892 8.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.562 -8.906 8.063 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.939 -11.260 8.767 1.00 0.00 H new ATOM 727 N GLU A 43 0.422 -6.441 4.311 1.00 0.00 N ATOM 728 CA GLU A 43 0.601 -5.023 4.057 1.00 0.00 C ATOM 729 C GLU A 43 -0.339 -4.558 2.940 1.00 0.00 C ATOM 730 O GLU A 43 -0.958 -3.501 3.055 1.00 0.00 O ATOM 731 CB GLU A 43 2.063 -4.736 3.686 1.00 0.00 C ATOM 732 CG GLU A 43 2.349 -3.230 3.725 1.00 0.00 C ATOM 733 CD GLU A 43 3.706 -2.885 3.089 1.00 0.00 C ATOM 734 OE1 GLU A 43 4.750 -3.429 3.515 1.00 0.00 O ATOM 735 OE2 GLU A 43 3.744 -2.043 2.160 1.00 0.00 O ATOM 0 H GLU A 43 1.216 -7.021 4.040 1.00 0.00 H new ATOM 0 HA GLU A 43 0.356 -4.469 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.727 -5.255 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.273 -5.125 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.556 -2.697 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.335 -2.885 4.759 1.00 0.00 H new ATOM 742 N VAL A 44 -0.472 -5.324 1.853 1.00 0.00 N ATOM 743 CA VAL A 44 -1.283 -4.902 0.729 1.00 0.00 C ATOM 744 C VAL A 44 -2.761 -4.949 1.078 1.00 0.00 C ATOM 745 O VAL A 44 -3.506 -4.032 0.751 1.00 0.00 O ATOM 746 CB VAL A 44 -0.955 -5.733 -0.509 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.434 -5.359 -1.029 1.00 0.00 C ATOM 748 CG2 VAL A 44 -0.946 -7.241 -0.307 1.00 0.00 C ATOM 0 H VAL A 44 -0.027 -6.234 1.737 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.046 -3.864 0.496 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.761 -5.500 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.664 -5.954 -1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.452 -4.301 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.177 -5.555 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.702 -7.733 -1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.200 -7.503 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.930 -7.569 0.029 1.00 0.00 H new ATOM 758 N MET A 45 -3.187 -5.984 1.787 1.00 0.00 N ATOM 759 CA MET A 45 -4.516 -6.050 2.358 1.00 0.00 C ATOM 760 C MET A 45 -4.755 -4.874 3.304 1.00 0.00 C ATOM 761 O MET A 45 -5.821 -4.267 3.248 1.00 0.00 O ATOM 762 CB MET A 45 -4.663 -7.364 3.118 1.00 0.00 C ATOM 763 CG MET A 45 -4.741 -8.604 2.224 1.00 0.00 C ATOM 764 SD MET A 45 -6.285 -8.801 1.283 1.00 0.00 S ATOM 765 CE MET A 45 -5.810 -8.137 -0.338 1.00 0.00 C ATOM 0 H MET A 45 -2.613 -6.805 1.981 1.00 0.00 H new ATOM 0 HA MET A 45 -5.253 -5.999 1.557 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.818 -7.473 3.798 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.562 -7.316 3.732 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.909 -8.575 1.520 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.601 -9.488 2.847 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.644 -7.577 -0.760 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.951 -7.476 -0.223 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.549 -8.958 -1.005 1.00 0.00 H new ATOM 775 N ASP A 46 -3.785 -4.529 4.150 1.00 0.00 N ATOM 776 CA ASP A 46 -3.910 -3.395 5.063 1.00 0.00 C ATOM 777 C ASP A 46 -4.120 -2.088 4.298 1.00 0.00 C ATOM 778 O ASP A 46 -4.993 -1.290 4.651 1.00 0.00 O ATOM 779 CB ASP A 46 -2.691 -3.257 5.974 1.00 0.00 C ATOM 780 CG ASP A 46 -2.853 -2.024 6.879 1.00 0.00 C ATOM 781 OD1 ASP A 46 -3.668 -2.078 7.829 1.00 0.00 O ATOM 782 OD2 ASP A 46 -2.156 -1.008 6.656 1.00 0.00 O ATOM 0 H ASP A 46 -2.896 -5.024 4.221 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.784 -3.593 5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.577 -4.154 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.786 -3.162 5.374 1.00 0.00 H new ATOM 787 N GLU A 47 -3.384 -1.901 3.207 1.00 0.00 N ATOM 788 CA GLU A 47 -3.471 -0.780 2.294 1.00 0.00 C ATOM 789 C GLU A 47 -4.840 -0.720 1.571 1.00 0.00 C ATOM 790 O GLU A 47 -5.149 0.266 0.896 1.00 0.00 O ATOM 791 CB GLU A 47 -2.247 -0.936 1.376 1.00 0.00 C ATOM 792 CG GLU A 47 -2.262 -0.219 0.036 1.00 0.00 C ATOM 793 CD GLU A 47 -2.335 1.322 0.115 1.00 0.00 C ATOM 794 OE1 GLU A 47 -2.055 1.918 1.184 1.00 0.00 O ATOM 795 OE2 GLU A 47 -2.633 1.962 -0.922 1.00 0.00 O ATOM 0 H GLU A 47 -2.669 -2.572 2.925 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.439 0.188 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.371 -0.594 1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.108 -2.000 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.364 -0.496 -0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.115 -0.578 -0.541 1.00 0.00 H new ATOM 802 N VAL A 48 -5.696 -1.725 1.761 1.00 0.00 N ATOM 803 CA VAL A 48 -7.010 -1.879 1.143 1.00 0.00 C ATOM 804 C VAL A 48 -8.073 -2.102 2.238 1.00 0.00 C ATOM 805 O VAL A 48 -9.257 -2.207 1.929 1.00 0.00 O ATOM 806 CB VAL A 48 -6.931 -3.032 0.105 1.00 0.00 C ATOM 807 CG1 VAL A 48 -8.218 -3.241 -0.701 1.00 0.00 C ATOM 808 CG2 VAL A 48 -5.849 -2.838 -0.976 1.00 0.00 C ATOM 0 H VAL A 48 -5.476 -2.498 2.388 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.311 -0.979 0.607 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.712 -3.881 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.079 -4.064 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.038 -3.477 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.454 -2.331 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.861 -3.687 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.050 -1.922 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.870 -2.768 -0.502 1.00 0.00 H new ATOM 818 N HIS A 49 -7.693 -2.144 3.521 1.00 0.00 N ATOM 819 CA HIS A 49 -8.520 -2.720 4.575 1.00 0.00 C ATOM 820 C HIS A 49 -9.913 -2.094 4.716 1.00 0.00 C ATOM 821 O HIS A 49 -10.847 -2.797 5.098 1.00 0.00 O ATOM 822 CB HIS A 49 -7.778 -2.686 5.913 1.00 0.00 C ATOM 823 CG HIS A 49 -8.358 -3.622 6.943 1.00 0.00 C ATOM 824 ND1 HIS A 49 -8.736 -3.310 8.231 1.00 0.00 N ATOM 825 CD2 HIS A 49 -8.572 -4.966 6.776 1.00 0.00 C ATOM 826 CE1 HIS A 49 -9.164 -4.441 8.822 1.00 0.00 C ATOM 827 NE2 HIS A 49 -9.088 -5.484 7.971 1.00 0.00 N ATOM 0 H HIS A 49 -6.801 -1.777 3.852 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.700 -3.751 4.271 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.732 -2.944 5.747 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.797 -1.669 6.305 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.376 -5.530 5.876 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.520 -4.504 9.840 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.352 -6.451 8.159 1.00 0.00 H new ATOM 835 N GLU A 50 -10.088 -0.813 4.370 1.00 0.00 N ATOM 836 CA GLU A 50 -11.396 -0.154 4.406 1.00 0.00 C ATOM 837 C GLU A 50 -12.431 -0.851 3.499 1.00 0.00 C ATOM 838 O GLU A 50 -13.638 -0.714 3.728 1.00 0.00 O ATOM 839 CB GLU A 50 -11.258 1.328 4.015 1.00 0.00 C ATOM 840 CG GLU A 50 -10.437 2.140 5.029 1.00 0.00 C ATOM 841 CD GLU A 50 -10.398 3.633 4.653 1.00 0.00 C ATOM 842 OE1 GLU A 50 -9.478 4.051 3.905 1.00 0.00 O ATOM 843 OE2 GLU A 50 -11.276 4.403 5.112 1.00 0.00 O ATOM 0 H GLU A 50 -9.329 -0.207 4.058 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.764 -0.226 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.787 1.398 3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.251 1.768 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.868 2.025 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.421 1.748 5.074 1.00 0.00 H new ATOM 850 N GLU A 51 -11.985 -1.611 2.491 1.00 0.00 N ATOM 851 CA GLU A 51 -12.833 -2.369 1.571 1.00 0.00 C ATOM 852 C GLU A 51 -12.894 -3.863 1.954 1.00 0.00 C ATOM 853 O GLU A 51 -13.572 -4.647 1.285 1.00 0.00 O ATOM 854 CB GLU A 51 -12.309 -2.202 0.137 1.00 0.00 C ATOM 855 CG GLU A 51 -12.518 -0.770 -0.378 1.00 0.00 C ATOM 856 CD GLU A 51 -11.914 -0.534 -1.777 1.00 0.00 C ATOM 857 OE1 GLU A 51 -11.019 -1.303 -2.205 1.00 0.00 O ATOM 858 OE2 GLU A 51 -12.333 0.437 -2.455 1.00 0.00 O ATOM 0 H GLU A 51 -10.991 -1.717 2.289 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.848 -1.976 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.248 -2.449 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.820 -2.904 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.586 -0.554 -0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.071 -0.068 0.327 1.00 0.00 H new ATOM 865 N GLU A 52 -12.189 -4.278 3.013 1.00 0.00 N ATOM 866 CA GLU A 52 -11.876 -5.679 3.297 1.00 0.00 C ATOM 867 C GLU A 52 -12.267 -6.071 4.725 1.00 0.00 C ATOM 868 O GLU A 52 -12.470 -7.253 4.991 1.00 0.00 O ATOM 869 CB GLU A 52 -10.383 -5.931 3.083 1.00 0.00 C ATOM 870 CG GLU A 52 -9.939 -5.682 1.638 1.00 0.00 C ATOM 871 CD GLU A 52 -10.580 -6.621 0.597 1.00 0.00 C ATOM 872 OE1 GLU A 52 -10.920 -7.780 0.933 1.00 0.00 O ATOM 873 OE2 GLU A 52 -10.719 -6.207 -0.579 1.00 0.00 O ATOM 0 H GLU A 52 -11.814 -3.634 3.709 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.458 -6.294 2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.811 -5.286 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.150 -6.960 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.175 -4.652 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.855 -5.785 1.582 1.00 0.00 H new ATOM 880 N GLU A 53 -12.426 -5.106 5.636 1.00 0.00 N ATOM 881 CA GLU A 53 -12.691 -5.331 7.059 1.00 0.00 C ATOM 882 C GLU A 53 -13.985 -6.117 7.347 1.00 0.00 C ATOM 883 O GLU A 53 -14.164 -6.607 8.464 1.00 0.00 O ATOM 884 CB GLU A 53 -12.670 -3.987 7.810 1.00 0.00 C ATOM 885 CG GLU A 53 -13.767 -3.007 7.365 1.00 0.00 C ATOM 886 CD GLU A 53 -13.760 -1.735 8.235 1.00 0.00 C ATOM 887 OE1 GLU A 53 -14.420 -1.724 9.305 1.00 0.00 O ATOM 888 OE2 GLU A 53 -13.111 -0.729 7.857 1.00 0.00 O ATOM 0 H GLU A 53 -12.372 -4.116 5.395 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.890 -5.972 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.778 -4.177 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.697 -3.517 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.616 -2.737 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.741 -3.492 7.432 1.00 0.00 H new ATOM 895 N PHE A 54 -14.874 -6.257 6.355 1.00 0.00 N ATOM 896 CA PHE A 54 -16.130 -7.003 6.438 1.00 0.00 C ATOM 897 C PHE A 54 -16.215 -8.047 5.302 1.00 0.00 C ATOM 898 O PHE A 54 -17.299 -8.528 4.969 1.00 0.00 O ATOM 899 CB PHE A 54 -17.293 -5.991 6.440 1.00 0.00 C ATOM 900 CG PHE A 54 -18.619 -6.524 6.956 1.00 0.00 C ATOM 901 CD1 PHE A 54 -18.769 -6.824 8.326 1.00 0.00 C ATOM 902 CD2 PHE A 54 -19.711 -6.698 6.082 1.00 0.00 C ATOM 903 CE1 PHE A 54 -20.000 -7.299 8.814 1.00 0.00 C ATOM 904 CE2 PHE A 54 -20.939 -7.177 6.573 1.00 0.00 C ATOM 905 CZ PHE A 54 -21.083 -7.476 7.937 1.00 0.00 C ATOM 0 H PHE A 54 -14.729 -5.836 5.437 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.187 -7.577 7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.005 -5.133 7.047 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.438 -5.628 5.423 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.937 -6.689 9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -19.605 -6.463 5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -20.112 -7.528 9.863 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -21.772 -7.315 5.900 1.00 0.00 H new ATOM 0 HZ PHE A 54 -22.027 -7.842 8.312 1.00 0.00 H new ATOM 915 N ALA A 55 -15.072 -8.390 4.687 1.00 0.00 N ATOM 916 CA ALA A 55 -14.973 -9.275 3.526 1.00 0.00 C ATOM 917 C ALA A 55 -13.721 -10.168 3.585 1.00 0.00 C ATOM 918 O ALA A 55 -13.220 -10.600 2.544 1.00 0.00 O ATOM 919 CB ALA A 55 -15.031 -8.435 2.243 1.00 0.00 C ATOM 0 H ALA A 55 -14.164 -8.045 4.998 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.821 -9.960 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.958 -9.091 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.974 -7.890 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.202 -7.727 2.234 1.00 0.00 H new ATOM 925 N VAL A 56 -13.229 -10.480 4.791 1.00 0.00 N ATOM 926 CA VAL A 56 -12.181 -11.480 5.031 1.00 0.00 C ATOM 927 C VAL A 56 -12.812 -12.639 5.810 1.00 0.00 C ATOM 928 O VAL A 56 -12.319 -13.106 6.838 1.00 0.00 O ATOM 929 CB VAL A 56 -10.912 -10.847 5.657 1.00 0.00 C ATOM 930 CG1 VAL A 56 -10.192 -9.961 4.627 1.00 0.00 C ATOM 931 CG2 VAL A 56 -11.185 -10.029 6.929 1.00 0.00 C ATOM 0 H VAL A 56 -13.557 -10.033 5.647 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.799 -11.895 4.098 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.280 -11.685 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.303 -9.524 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.900 -10.565 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.861 -9.165 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.248 -9.619 7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.870 -9.214 6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.631 -10.673 7.687 1.00 0.00 H new ATOM 941 N GLU A 57 -13.959 -13.078 5.291 1.00 0.00 N ATOM 942 CA GLU A 57 -14.845 -14.107 5.834 1.00 0.00 C ATOM 943 C GLU A 57 -15.002 -15.209 4.773 1.00 0.00 C ATOM 944 O GLU A 57 -16.072 -15.793 4.580 1.00 0.00 O ATOM 945 CB GLU A 57 -16.171 -13.456 6.284 1.00 0.00 C ATOM 946 CG GLU A 57 -16.759 -12.452 5.274 1.00 0.00 C ATOM 947 CD GLU A 57 -18.285 -12.296 5.432 1.00 0.00 C ATOM 948 OE1 GLU A 57 -18.758 -11.900 6.525 1.00 0.00 O ATOM 949 OE2 GLU A 57 -19.032 -12.573 4.459 1.00 0.00 O ATOM 0 H GLU A 57 -14.319 -12.696 4.417 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.434 -14.580 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.904 -14.242 6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.008 -12.945 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.280 -11.482 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.532 -12.783 4.261 1.00 0.00 H new ATOM 956 N GLY A 58 -13.912 -15.456 4.041 1.00 0.00 N ATOM 957 CA GLY A 58 -13.818 -16.370 2.913 1.00 0.00 C ATOM 958 C GLY A 58 -12.344 -16.646 2.602 1.00 0.00 C ATOM 959 O GLY A 58 -11.459 -16.179 3.331 1.00 0.00 O ATOM 0 H GLY A 58 -13.024 -14.994 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.333 -17.303 3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.311 -15.940 2.041 1.00 0.00 H new ATOM 963 N PRO A 59 -12.073 -17.430 1.547 1.00 0.00 N ATOM 964 CA PRO A 59 -10.727 -17.833 1.171 1.00 0.00 C ATOM 965 C PRO A 59 -9.907 -16.655 0.623 1.00 0.00 C ATOM 966 O PRO A 59 -10.433 -15.580 0.318 1.00 0.00 O ATOM 967 CB PRO A 59 -10.921 -18.939 0.133 1.00 0.00 C ATOM 968 CG PRO A 59 -12.245 -18.559 -0.523 1.00 0.00 C ATOM 969 CD PRO A 59 -13.052 -17.986 0.630 1.00 0.00 C ATOM 0 HA PRO A 59 -10.155 -18.187 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -10.105 -18.964 -0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.967 -19.925 0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.105 -17.828 -1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.737 -19.424 -0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.744 -17.219 0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.649 -18.759 1.114 1.00 0.00 H new ATOM 977 N LEU A 60 -8.609 -16.901 0.434 1.00 0.00 N ATOM 978 CA LEU A 60 -7.670 -15.991 -0.215 1.00 0.00 C ATOM 979 C LEU A 60 -6.778 -16.845 -1.122 1.00 0.00 C ATOM 980 O LEU A 60 -6.562 -18.032 -0.856 1.00 0.00 O ATOM 981 CB LEU A 60 -6.845 -15.218 0.837 1.00 0.00 C ATOM 982 CG LEU A 60 -6.801 -13.690 0.614 1.00 0.00 C ATOM 983 CD1 LEU A 60 -5.986 -13.037 1.736 1.00 0.00 C ATOM 984 CD2 LEU A 60 -6.197 -13.271 -0.734 1.00 0.00 C ATOM 0 H LEU A 60 -8.170 -17.770 0.740 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.193 -15.239 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.260 -15.417 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.825 -15.603 0.836 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.838 -13.354 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.953 -11.959 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.453 -13.252 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.972 -13.436 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.202 -12.184 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.172 -13.635 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.788 -13.697 -1.545 1.00 0.00 H new ATOM 996 N TRP A 61 -6.270 -16.233 -2.187 1.00 0.00 N ATOM 997 CA TRP A 61 -5.685 -16.898 -3.341 1.00 0.00 C ATOM 998 C TRP A 61 -4.596 -15.981 -3.885 1.00 0.00 C ATOM 999 O TRP A 61 -4.788 -14.763 -3.864 1.00 0.00 O ATOM 1000 CB TRP A 61 -6.779 -17.014 -4.403 1.00 0.00 C ATOM 1001 CG TRP A 61 -7.993 -17.826 -4.073 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -9.103 -17.373 -3.448 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -8.261 -19.220 -4.389 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -10.037 -18.385 -3.365 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.565 -19.558 -3.920 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.526 -20.225 -5.041 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -10.104 -20.842 -4.079 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -8.054 -21.521 -5.208 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -9.338 -21.830 -4.724 1.00 0.00 C ATOM 0 H TRP A 61 -6.255 -15.217 -2.271 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.283 -17.878 -3.084 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.109 -16.006 -4.654 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.329 -17.435 -5.302 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.238 -16.370 -3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.961 -18.280 -2.946 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.540 -20.000 -5.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.094 -21.070 -3.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.471 -22.279 -5.709 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.736 -22.826 -4.848 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.497 -16.531 -4.405 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.334 -15.759 -4.828 1.00 0.00 C ATOM 1022 C ILE A 62 -1.868 -16.287 -6.194 1.00 0.00 C ATOM 1023 O ILE A 62 -1.894 -17.498 -6.435 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.187 -15.873 -3.782 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -1.576 -15.921 -2.279 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.129 -14.777 -4.010 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -2.153 -14.650 -1.638 1.00 0.00 C ATOM 0 H ILE A 62 -3.391 -17.536 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.604 -14.706 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.790 -16.869 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.306 -16.720 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.688 -16.205 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.663 -14.876 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.295 -14.882 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.595 -13.796 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.375 -14.841 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.426 -13.842 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.068 -14.365 -2.156 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.367 -15.387 -7.045 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.485 -15.682 -8.170 1.00 0.00 C ATOM 1041 C GLN A 63 0.658 -14.666 -8.102 1.00 0.00 C ATOM 1042 O GLN A 63 0.447 -13.521 -7.705 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.281 -15.590 -9.490 1.00 0.00 C ATOM 1044 CG GLN A 63 -0.434 -15.791 -10.761 1.00 0.00 C ATOM 1045 CD GLN A 63 -1.275 -15.732 -12.043 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -0.802 -15.040 -13.073 1.00 0.00 O flip ATOM 1047 NE2 GLN A 63 -2.363 -16.297 -12.131 1.00 0.00 N flip ATOM 0 H GLN A 63 -1.576 -14.392 -6.962 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.078 -16.692 -8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.074 -16.338 -9.475 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.764 -14.614 -9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.340 -15.025 -10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.073 -16.754 -10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.727 -16.829 -11.340 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.902 -16.234 -12.995 1.00 0.00 H new ATOM 1056 N VAL A 64 1.857 -15.040 -8.538 1.00 0.00 N ATOM 1057 CA VAL A 64 2.979 -14.119 -8.690 1.00 0.00 C ATOM 1058 C VAL A 64 3.655 -14.425 -10.026 1.00 0.00 C ATOM 1059 O VAL A 64 3.553 -15.546 -10.531 1.00 0.00 O ATOM 1060 CB VAL A 64 3.926 -14.218 -7.478 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.671 -15.559 -7.401 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.937 -13.069 -7.502 1.00 0.00 C ATOM 0 H VAL A 64 2.079 -16.001 -8.798 1.00 0.00 H new ATOM 0 HA VAL A 64 2.645 -13.082 -8.709 1.00 0.00 H new ATOM 0 HB VAL A 64 3.298 -14.149 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.321 -15.564 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.949 -16.372 -7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.272 -15.693 -8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.600 -13.150 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.525 -13.120 -8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.407 -12.117 -7.464 1.00 0.00 H new ATOM 1072 N GLN A 65 4.386 -13.461 -10.581 1.00 0.00 N ATOM 1073 CA GLN A 65 5.399 -13.711 -11.580 1.00 0.00 C ATOM 1074 C GLN A 65 6.503 -12.688 -11.360 1.00 0.00 C ATOM 1075 O GLN A 65 6.241 -11.586 -10.871 1.00 0.00 O ATOM 1076 CB GLN A 65 4.819 -13.640 -12.997 1.00 0.00 C ATOM 1077 CG GLN A 65 3.907 -12.441 -13.281 1.00 0.00 C ATOM 1078 CD GLN A 65 2.456 -12.677 -12.864 1.00 0.00 C ATOM 1079 OE1 GLN A 65 1.987 -12.009 -11.828 1.00 0.00 O flip ATOM 1080 NE2 GLN A 65 1.721 -13.463 -13.459 1.00 0.00 N flip ATOM 0 H GLN A 65 4.283 -12.475 -10.340 1.00 0.00 H new ATOM 0 HA GLN A 65 5.799 -14.720 -11.480 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.645 -13.621 -13.708 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.256 -14.554 -13.186 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.292 -11.567 -12.755 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.940 -12.212 -14.346 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.075 -13.984 -14.261 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.758 -13.594 -13.150 1.00 0.00 H new ATOM 1089 N ALA A 66 7.725 -13.057 -11.725 1.00 0.00 N ATOM 1090 CA ALA A 66 8.902 -12.210 -11.566 1.00 0.00 C ATOM 1091 C ALA A 66 9.227 -11.550 -12.910 1.00 0.00 C ATOM 1092 O ALA A 66 9.050 -12.147 -13.976 1.00 0.00 O ATOM 1093 CB ALA A 66 10.075 -13.023 -11.002 1.00 0.00 C ATOM 0 H ALA A 66 7.929 -13.964 -12.145 1.00 0.00 H new ATOM 0 HA ALA A 66 8.704 -11.417 -10.844 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.945 -12.376 -10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.800 -13.433 -10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.315 -13.838 -11.685 1.00 0.00 H new ATOM 1099 N LEU A 67 9.681 -10.304 -12.833 1.00 0.00 N ATOM 1100 CA LEU A 67 9.944 -9.371 -13.922 1.00 0.00 C ATOM 1101 C LEU A 67 11.395 -8.883 -13.779 1.00 0.00 C ATOM 1102 O LEU A 67 12.159 -9.420 -12.974 1.00 0.00 O ATOM 1103 CB LEU A 67 8.917 -8.215 -13.860 1.00 0.00 C ATOM 1104 CG LEU A 67 7.459 -8.682 -14.062 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.740 -8.907 -12.745 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.641 -7.660 -14.842 1.00 0.00 C ATOM 0 H LEU A 67 9.893 -9.885 -11.928 1.00 0.00 H new ATOM 0 HA LEU A 67 9.833 -9.842 -14.899 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.001 -7.715 -12.895 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.164 -7.477 -14.624 1.00 0.00 H new ATOM 0 HG LEU A 67 7.535 -9.618 -14.615 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.719 -9.234 -12.939 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.263 -9.672 -12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.721 -7.977 -12.177 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.621 -8.026 -14.963 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.625 -6.715 -14.299 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.090 -7.507 -15.823 1.00 0.00 H new ATOM 1118 N ASP A 68 11.806 -7.890 -14.576 1.00 0.00 N ATOM 1119 CA ASP A 68 13.228 -7.558 -14.720 1.00 0.00 C ATOM 1120 C ASP A 68 13.888 -7.126 -13.402 1.00 0.00 C ATOM 1121 O ASP A 68 15.031 -7.515 -13.159 1.00 0.00 O ATOM 1122 CB ASP A 68 13.442 -6.493 -15.803 1.00 0.00 C ATOM 1123 CG ASP A 68 14.941 -6.347 -16.117 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.528 -7.278 -16.718 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.547 -5.307 -15.768 1.00 0.00 O ATOM 0 H ASP A 68 11.178 -7.305 -15.128 1.00 0.00 H new ATOM 0 HA ASP A 68 13.720 -8.480 -15.028 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.899 -6.769 -16.707 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.039 -5.537 -15.468 1.00 0.00 H new ATOM 1130 N LYS A 69 13.180 -6.369 -12.541 1.00 0.00 N ATOM 1131 CA LYS A 69 13.699 -5.864 -11.253 1.00 0.00 C ATOM 1132 C LYS A 69 12.638 -5.892 -10.144 1.00 0.00 C ATOM 1133 O LYS A 69 12.677 -5.086 -9.211 1.00 0.00 O ATOM 1134 CB LYS A 69 14.297 -4.456 -11.405 1.00 0.00 C ATOM 1135 CG LYS A 69 15.502 -4.368 -12.344 1.00 0.00 C ATOM 1136 CD LYS A 69 16.740 -5.134 -11.837 1.00 0.00 C ATOM 1137 CE LYS A 69 17.930 -4.972 -12.798 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.737 -5.715 -14.071 1.00 0.00 N ATOM 0 H LYS A 69 12.217 -6.087 -12.723 1.00 0.00 H new ATOM 0 HA LYS A 69 14.497 -6.543 -10.950 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.520 -3.784 -11.770 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.594 -4.095 -10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.219 -4.759 -13.321 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.766 -3.320 -12.484 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.016 -4.769 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.497 -6.191 -11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.075 -3.914 -13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.838 -5.324 -12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.565 -5.574 -14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.625 -6.729 -13.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.886 -5.362 -14.553 1.00 0.00 H new ATOM 1152 N GLY A 70 11.669 -6.793 -10.226 1.00 0.00 N ATOM 1153 CA GLY A 70 10.577 -6.869 -9.268 1.00 0.00 C ATOM 1154 C GLY A 70 9.650 -8.017 -9.611 1.00 0.00 C ATOM 1155 O GLY A 70 9.963 -8.830 -10.479 1.00 0.00 O ATOM 0 H GLY A 70 11.619 -7.496 -10.964 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.976 -7.004 -8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.020 -5.932 -9.267 1.00 0.00 H new ATOM 1159 N LEU A 71 8.492 -8.076 -8.963 1.00 0.00 N ATOM 1160 CA LEU A 71 7.462 -9.082 -9.211 1.00 0.00 C ATOM 1161 C LEU A 71 6.103 -8.403 -9.272 1.00 0.00 C ATOM 1162 O LEU A 71 5.842 -7.481 -8.501 1.00 0.00 O ATOM 1163 CB LEU A 71 7.428 -10.149 -8.107 1.00 0.00 C ATOM 1164 CG LEU A 71 8.756 -10.906 -7.908 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.409 -10.445 -6.600 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.540 -12.418 -7.897 1.00 0.00 C ATOM 0 H LEU A 71 8.236 -7.411 -8.233 1.00 0.00 H new ATOM 0 HA LEU A 71 7.697 -9.572 -10.156 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.152 -9.672 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.645 -10.870 -8.340 1.00 0.00 H new ATOM 0 HG LEU A 71 9.416 -10.679 -8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.349 -10.978 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.603 -9.373 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.740 -10.655 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.496 -12.921 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.866 -12.683 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.103 -12.730 -8.846 1.00 0.00 H new ATOM 1178 N GLU A 72 5.222 -8.898 -10.138 1.00 0.00 N ATOM 1179 CA GLU A 72 3.793 -8.630 -10.051 1.00 0.00 C ATOM 1180 C GLU A 72 3.174 -9.759 -9.253 1.00 0.00 C ATOM 1181 O GLU A 72 3.408 -10.931 -9.563 1.00 0.00 O ATOM 1182 CB GLU A 72 3.064 -8.600 -11.405 1.00 0.00 C ATOM 1183 CG GLU A 72 3.188 -7.294 -12.193 1.00 0.00 C ATOM 1184 CD GLU A 72 2.294 -7.345 -13.445 1.00 0.00 C ATOM 1185 OE1 GLU A 72 1.096 -6.980 -13.350 1.00 0.00 O ATOM 1186 OE2 GLU A 72 2.776 -7.760 -14.523 1.00 0.00 O ATOM 0 H GLU A 72 5.482 -9.498 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 72 3.686 -7.642 -9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.447 -9.413 -12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.007 -8.801 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.899 -6.452 -11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.226 -7.133 -12.484 1.00 0.00 H new ATOM 1193 N ILE A 73 2.318 -9.403 -8.304 1.00 0.00 N ATOM 1194 CA ILE A 73 1.556 -10.313 -7.480 1.00 0.00 C ATOM 1195 C ILE A 73 0.086 -9.967 -7.753 1.00 0.00 C ATOM 1196 O ILE A 73 -0.291 -8.797 -7.716 1.00 0.00 O ATOM 1197 CB ILE A 73 1.895 -10.134 -5.976 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.362 -10.260 -5.483 1.00 0.00 C ATOM 1199 CG2 ILE A 73 1.089 -11.151 -5.147 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.390 -9.289 -6.074 1.00 0.00 C ATOM 0 H ILE A 73 2.132 -8.425 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 73 1.783 -11.353 -7.717 1.00 0.00 H new ATOM 0 HB ILE A 73 1.646 -9.082 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.365 -10.136 -4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.701 -11.275 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.325 -11.028 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.023 -10.984 -5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.347 -12.162 -5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.370 -9.489 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.436 -9.421 -7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.096 -8.264 -5.846 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.752 -10.969 -8.013 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.210 -10.853 -8.092 1.00 0.00 C ATOM 1214 C ILE A 74 -2.738 -11.640 -6.883 1.00 0.00 C ATOM 1215 O ILE A 74 -2.191 -12.700 -6.570 1.00 0.00 O ATOM 1216 CB ILE A 74 -2.719 -11.430 -9.442 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.383 -10.624 -10.719 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.252 -11.575 -9.445 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -0.900 -10.368 -11.000 1.00 0.00 C ATOM 0 H ILE A 74 -0.424 -11.920 -8.181 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.558 -9.820 -8.062 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.184 -12.378 -9.491 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.806 -11.151 -11.575 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.889 -9.660 -10.656 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.577 -11.981 -10.403 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.555 -12.249 -8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.710 -10.598 -9.291 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.798 -9.794 -11.921 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.465 -9.807 -10.173 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.380 -11.320 -11.106 1.00 0.00 H new ATOM 1231 N VAL A 75 -3.814 -11.184 -6.238 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.494 -11.954 -5.200 1.00 0.00 C ATOM 1233 C VAL A 75 -6.003 -11.895 -5.432 1.00 0.00 C ATOM 1234 O VAL A 75 -6.530 -10.834 -5.776 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.060 -11.534 -3.781 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -2.589 -11.835 -3.504 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -4.200 -10.048 -3.510 1.00 0.00 C ATOM 0 H VAL A 75 -4.236 -10.273 -6.421 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.194 -12.999 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.730 -12.113 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.337 -11.519 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.411 -12.906 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.967 -11.295 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.875 -9.832 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.583 -9.490 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.243 -9.753 -3.629 1.00 0.00 H new ATOM 1247 N THR A 76 -6.685 -13.034 -5.300 1.00 0.00 N ATOM 1248 CA THR A 76 -8.019 -13.265 -5.862 1.00 0.00 C ATOM 1249 C THR A 76 -8.961 -13.817 -4.780 1.00 0.00 C ATOM 1250 O THR A 76 -8.524 -14.088 -3.656 1.00 0.00 O ATOM 1251 CB THR A 76 -7.928 -14.184 -7.114 1.00 0.00 C ATOM 1252 OG1 THR A 76 -7.824 -15.551 -6.809 1.00 0.00 O ATOM 1253 CG2 THR A 76 -6.727 -13.910 -8.028 1.00 0.00 C ATOM 0 H THR A 76 -6.319 -13.838 -4.790 1.00 0.00 H new ATOM 0 HA THR A 76 -8.444 -12.319 -6.199 1.00 0.00 H new ATOM 0 HB THR A 76 -8.866 -13.944 -7.615 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.773 -16.069 -7.640 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.748 -14.599 -8.873 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.775 -12.885 -8.395 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.803 -14.052 -7.467 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.251 -13.988 -5.100 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.250 -14.650 -4.258 1.00 0.00 C ATOM 1263 C LYS A 77 -12.103 -15.614 -5.086 1.00 0.00 C ATOM 1264 O LYS A 77 -11.905 -15.761 -6.293 1.00 0.00 O ATOM 1265 CB LYS A 77 -12.118 -13.622 -3.526 1.00 0.00 C ATOM 1266 CG LYS A 77 -11.247 -12.639 -2.740 1.00 0.00 C ATOM 1267 CD LYS A 77 -12.104 -11.897 -1.724 1.00 0.00 C ATOM 1268 CE LYS A 77 -11.369 -10.680 -1.133 1.00 0.00 C ATOM 1269 NZ LYS A 77 -12.141 -10.020 -0.045 1.00 0.00 N ATOM 0 H LYS A 77 -10.638 -13.657 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.726 -15.235 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.730 -13.078 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.801 -14.133 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.445 -13.174 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.776 -11.930 -3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.028 -11.567 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.385 -12.577 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.401 -10.997 -0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.174 -9.957 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.589 -9.228 0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.040 -9.662 -0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.335 -10.708 0.710 1.00 0.00 H new