USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 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 2 GLN : amide:sc= -1.01! C(o=-1.2!,f=-4.1!) USER MOD Set 1.2: A 81 THR OG1 : rot 18:sc= -0.178! USER MOD Set 2.1: A 65 HIS : no HE2:sc= -2.7 K(o=-2.3,f=-4.1!) USER MOD Set 2.2: A 71 SER OG : rot -79:sc= 0.439 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.241 (180deg=-1.73!) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0507) USER MOD Single : A 3 HIS : no HE2:sc= -4.97! C(o=-5!,f=-6.4!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= -0.116 (180deg=-0.632) USER MOD Single : A 62 SER OG : rot 180:sc=-0.00751 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00651 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0094 USER MOD Single : A 87 LYS NZ :NH3+ 162:sc= -0.0155 (180deg=-0.238) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.318 13.711 1.178 1.00 0.00 N ATOM 2 CA MET A 1 -1.173 12.402 1.876 1.00 0.00 C ATOM 3 C MET A 1 -2.115 12.345 3.077 1.00 0.00 C ATOM 4 O MET A 1 -1.877 12.961 4.097 1.00 0.00 O ATOM 5 CB MET A 1 0.270 12.233 2.352 1.00 0.00 C ATOM 6 CG MET A 1 1.160 11.901 1.156 1.00 0.00 C ATOM 7 SD MET A 1 2.852 11.602 1.726 1.00 0.00 S ATOM 8 CE MET A 1 3.135 13.231 2.460 1.00 0.00 C ATOM 0 H1 MET A 1 -0.792 13.686 0.281 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.324 13.892 0.985 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.939 14.469 1.780 1.00 0.00 H new ATOM 0 HA MET A 1 -1.426 11.599 1.184 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.615 13.147 2.834 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.329 11.438 3.096 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.778 11.021 0.639 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.146 12.723 0.440 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.203 13.450 2.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.609 13.988 1.879 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.764 13.238 3.485 1.00 0.00 H new ATOM 20 N GLN A 2 -3.177 11.597 2.963 1.00 0.00 N ATOM 21 CA GLN A 2 -4.136 11.481 4.097 1.00 0.00 C ATOM 22 C GLN A 2 -3.996 10.090 4.717 1.00 0.00 C ATOM 23 O GLN A 2 -3.856 9.105 4.019 1.00 0.00 O ATOM 24 CB GLN A 2 -5.563 11.669 3.580 1.00 0.00 C ATOM 25 CG GLN A 2 -5.705 13.066 2.970 1.00 0.00 C ATOM 26 CD GLN A 2 -7.126 13.247 2.434 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.842 12.284 2.241 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.567 14.449 2.181 1.00 0.00 N ATOM 0 H GLN A 2 -3.423 11.060 2.131 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.923 12.245 4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.794 10.909 2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.276 11.542 4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.489 13.826 3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.982 13.198 2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.966 15.257 2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.512 14.580 1.821 1.00 0.00 H new ATOM 37 N HIS A 3 -4.028 9.996 6.018 1.00 0.00 N ATOM 38 CA HIS A 3 -3.888 8.661 6.664 1.00 0.00 C ATOM 39 C HIS A 3 -2.756 7.893 5.976 1.00 0.00 C ATOM 40 O HIS A 3 -2.750 6.680 5.933 1.00 0.00 O ATOM 41 CB HIS A 3 -5.199 7.885 6.518 1.00 0.00 C ATOM 42 CG HIS A 3 -5.722 7.520 7.881 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.085 8.480 8.816 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.952 6.306 8.481 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.509 7.833 9.917 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.447 6.509 9.763 1.00 0.00 N ATOM 0 H HIS A 3 -4.144 10.781 6.658 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.659 8.783 7.723 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.934 8.489 5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.037 6.984 5.926 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -6.039 9.491 8.691 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.775 5.342 8.026 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.856 8.324 10.814 1.00 0.00 H new ATOM 55 N ALA A 4 -1.802 8.599 5.430 1.00 0.00 N ATOM 56 CA ALA A 4 -0.671 7.921 4.735 1.00 0.00 C ATOM 57 C ALA A 4 0.072 7.011 5.716 1.00 0.00 C ATOM 58 O ALA A 4 0.536 5.947 5.359 1.00 0.00 O ATOM 59 CB ALA A 4 0.297 8.975 4.193 1.00 0.00 C ATOM 0 H ALA A 4 -1.758 9.618 5.436 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.063 7.322 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.125 8.481 3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.227 9.623 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.683 9.573 5.018 1.00 0.00 H new ATOM 65 N SER A 5 0.191 7.420 6.950 1.00 0.00 N ATOM 66 CA SER A 5 0.908 6.574 7.944 1.00 0.00 C ATOM 67 C SER A 5 0.217 5.214 8.051 1.00 0.00 C ATOM 68 O SER A 5 0.858 4.186 8.144 1.00 0.00 O ATOM 69 CB SER A 5 0.895 7.264 9.308 1.00 0.00 C ATOM 70 OG SER A 5 1.728 6.544 10.206 1.00 0.00 O ATOM 0 H SER A 5 -0.176 8.300 7.311 1.00 0.00 H new ATOM 0 HA SER A 5 1.939 6.432 7.621 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.246 8.291 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.123 7.310 9.695 1.00 0.00 H new ATOM 0 HG SER A 5 1.723 6.985 11.081 1.00 0.00 H new ATOM 76 N VAL A 6 -1.086 5.200 8.033 1.00 0.00 N ATOM 77 CA VAL A 6 -1.815 3.904 8.127 1.00 0.00 C ATOM 78 C VAL A 6 -1.536 3.079 6.873 1.00 0.00 C ATOM 79 O VAL A 6 -1.405 1.877 6.928 1.00 0.00 O ATOM 80 CB VAL A 6 -3.316 4.163 8.244 1.00 0.00 C ATOM 81 CG1 VAL A 6 -4.072 2.835 8.167 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.616 4.844 9.583 1.00 0.00 C ATOM 0 H VAL A 6 -1.677 6.028 7.957 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.476 3.360 9.008 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.636 4.811 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.143 3.021 8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.861 2.351 7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.752 2.186 8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.687 5.028 9.666 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.295 4.198 10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.080 5.791 9.638 1.00 0.00 H new ATOM 92 N ILE A 7 -1.450 3.718 5.741 1.00 0.00 N ATOM 93 CA ILE A 7 -1.180 2.968 4.484 1.00 0.00 C ATOM 94 C ILE A 7 0.159 2.239 4.604 1.00 0.00 C ATOM 95 O ILE A 7 0.256 1.053 4.355 1.00 0.00 O ATOM 96 CB ILE A 7 -1.127 3.951 3.315 1.00 0.00 C ATOM 97 CG1 ILE A 7 -2.471 4.675 3.206 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.848 3.192 2.018 1.00 0.00 C ATOM 99 CD1 ILE A 7 -2.382 5.764 2.137 1.00 0.00 C ATOM 0 H ILE A 7 -1.555 4.727 5.632 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.972 2.239 4.312 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.332 4.677 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.258 3.965 2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.737 5.115 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.811 3.895 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.107 2.674 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.642 2.465 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.340 6.278 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.607 6.480 2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.136 5.312 1.176 1.00 0.00 H new ATOM 111 N ALA A 8 1.190 2.935 4.993 1.00 0.00 N ATOM 112 CA ALA A 8 2.519 2.278 5.141 1.00 0.00 C ATOM 113 C ALA A 8 2.436 1.229 6.248 1.00 0.00 C ATOM 114 O ALA A 8 2.862 0.103 6.092 1.00 0.00 O ATOM 115 CB ALA A 8 3.571 3.326 5.507 1.00 0.00 C ATOM 0 H ALA A 8 1.170 3.930 5.215 1.00 0.00 H new ATOM 0 HA ALA A 8 2.800 1.801 4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.543 2.844 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.625 4.078 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.297 3.804 6.447 1.00 0.00 H new ATOM 121 N GLN A 9 1.883 1.597 7.366 1.00 0.00 N ATOM 122 CA GLN A 9 1.757 0.635 8.495 1.00 0.00 C ATOM 123 C GLN A 9 0.852 -0.528 8.082 1.00 0.00 C ATOM 124 O GLN A 9 1.105 -1.671 8.400 1.00 0.00 O ATOM 125 CB GLN A 9 1.138 1.355 9.696 1.00 0.00 C ATOM 126 CG GLN A 9 1.070 0.406 10.892 1.00 0.00 C ATOM 127 CD GLN A 9 -0.338 0.442 11.487 1.00 0.00 C ATOM 128 OE1 GLN A 9 -0.523 0.850 12.616 1.00 0.00 O ATOM 129 NE2 GLN A 9 -1.344 0.031 10.765 1.00 0.00 N ATOM 0 H GLN A 9 1.510 2.529 7.549 1.00 0.00 H new ATOM 0 HA GLN A 9 2.742 0.249 8.759 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.732 2.233 9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.138 1.708 9.444 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.320 -0.608 10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.803 0.698 11.644 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.185 -0.311 9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.289 0.052 11.148 1.00 0.00 H new ATOM 138 N PHE A 10 -0.208 -0.236 7.388 1.00 0.00 N ATOM 139 CA PHE A 10 -1.151 -1.308 6.961 1.00 0.00 C ATOM 140 C PHE A 10 -0.478 -2.236 5.948 1.00 0.00 C ATOM 141 O PHE A 10 -0.487 -3.441 6.095 1.00 0.00 O ATOM 142 CB PHE A 10 -2.382 -0.660 6.323 1.00 0.00 C ATOM 143 CG PHE A 10 -3.410 -1.718 6.009 1.00 0.00 C ATOM 144 CD1 PHE A 10 -4.304 -2.138 7.001 1.00 0.00 C ATOM 145 CD2 PHE A 10 -3.473 -2.274 4.727 1.00 0.00 C ATOM 146 CE1 PHE A 10 -5.261 -3.117 6.710 1.00 0.00 C ATOM 147 CE2 PHE A 10 -4.430 -3.252 4.435 1.00 0.00 C ATOM 148 CZ PHE A 10 -5.324 -3.674 5.427 1.00 0.00 C ATOM 0 H PHE A 10 -0.466 0.706 7.095 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.445 -1.896 7.830 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.805 0.082 6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.097 -0.135 5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.255 -1.707 7.990 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.783 -1.948 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.951 -3.443 7.475 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.479 -3.681 3.445 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.062 -4.429 5.202 1.00 0.00 H new ATOM 158 N VAL A 11 0.097 -1.686 4.917 1.00 0.00 N ATOM 159 CA VAL A 11 0.761 -2.541 3.892 1.00 0.00 C ATOM 160 C VAL A 11 2.029 -3.166 4.478 1.00 0.00 C ATOM 161 O VAL A 11 2.325 -4.323 4.253 1.00 0.00 O ATOM 162 CB VAL A 11 1.123 -1.691 2.670 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.385 -0.878 2.962 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.374 -2.607 1.471 1.00 0.00 C ATOM 0 H VAL A 11 0.137 -0.683 4.738 1.00 0.00 H new ATOM 0 HA VAL A 11 0.078 -3.335 3.591 1.00 0.00 H new ATOM 0 HB VAL A 11 0.301 -1.012 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.639 -0.275 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.207 -0.225 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.209 -1.554 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.632 -2.004 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.195 -3.287 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.474 -3.184 1.259 1.00 0.00 H new ATOM 174 N VAL A 12 2.782 -2.408 5.228 1.00 0.00 N ATOM 175 CA VAL A 12 4.032 -2.957 5.829 1.00 0.00 C ATOM 176 C VAL A 12 3.679 -4.070 6.820 1.00 0.00 C ATOM 177 O VAL A 12 4.389 -5.048 6.946 1.00 0.00 O ATOM 178 CB VAL A 12 4.785 -1.836 6.546 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.040 -2.401 7.214 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.192 -0.766 5.532 1.00 0.00 C ATOM 0 H VAL A 12 2.586 -1.432 5.451 1.00 0.00 H new ATOM 0 HA VAL A 12 4.666 -3.369 5.044 1.00 0.00 H new ATOM 0 HB VAL A 12 4.137 -1.397 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.573 -1.599 7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.755 -3.164 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.687 -2.843 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.729 0.034 6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.837 -1.210 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.300 -0.358 5.056 1.00 0.00 H new ATOM 190 N GLU A 13 2.588 -3.929 7.524 1.00 0.00 N ATOM 191 CA GLU A 13 2.192 -4.977 8.508 1.00 0.00 C ATOM 192 C GLU A 13 2.072 -6.325 7.800 1.00 0.00 C ATOM 193 O GLU A 13 2.305 -7.367 8.381 1.00 0.00 O ATOM 194 CB GLU A 13 0.847 -4.612 9.132 1.00 0.00 C ATOM 195 CG GLU A 13 0.495 -5.626 10.218 1.00 0.00 C ATOM 196 CD GLU A 13 -0.898 -5.323 10.771 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.515 -4.388 10.287 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.326 -6.029 11.669 1.00 0.00 O ATOM 0 H GLU A 13 1.954 -3.133 7.460 1.00 0.00 H new ATOM 0 HA GLU A 13 2.950 -5.042 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.892 -3.609 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.071 -4.599 8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.523 -6.636 9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.232 -5.586 11.020 1.00 0.00 H new ATOM 205 N GLU A 14 1.706 -6.315 6.549 1.00 0.00 N ATOM 206 CA GLU A 14 1.565 -7.595 5.805 1.00 0.00 C ATOM 207 C GLU A 14 2.934 -8.268 5.670 1.00 0.00 C ATOM 208 O GLU A 14 3.039 -9.478 5.638 1.00 0.00 O ATOM 209 CB GLU A 14 0.993 -7.313 4.414 1.00 0.00 C ATOM 210 CG GLU A 14 0.720 -8.634 3.698 1.00 0.00 C ATOM 211 CD GLU A 14 0.242 -8.355 2.273 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.169 -7.193 1.911 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.046 -9.309 1.567 1.00 0.00 O ATOM 0 H GLU A 14 1.498 -5.474 6.010 1.00 0.00 H new ATOM 0 HA GLU A 14 0.892 -8.258 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.072 -6.736 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.695 -6.712 3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.625 -9.242 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.034 -9.204 4.240 1.00 0.00 H new ATOM 220 N PHE A 15 3.984 -7.497 5.589 1.00 0.00 N ATOM 221 CA PHE A 15 5.342 -8.101 5.456 1.00 0.00 C ATOM 222 C PHE A 15 6.355 -7.273 6.251 1.00 0.00 C ATOM 223 O PHE A 15 7.422 -6.952 5.767 1.00 0.00 O ATOM 224 CB PHE A 15 5.741 -8.128 3.977 1.00 0.00 C ATOM 225 CG PHE A 15 5.966 -6.717 3.482 1.00 0.00 C ATOM 226 CD1 PHE A 15 4.870 -5.907 3.161 1.00 0.00 C ATOM 227 CD2 PHE A 15 7.267 -6.222 3.337 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.076 -4.601 2.697 1.00 0.00 C ATOM 229 CE2 PHE A 15 7.473 -4.918 2.874 1.00 0.00 C ATOM 230 CZ PHE A 15 6.378 -4.107 2.554 1.00 0.00 C ATOM 0 H PHE A 15 3.961 -6.477 5.609 1.00 0.00 H new ATOM 0 HA PHE A 15 5.329 -9.118 5.847 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.648 -8.718 3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.960 -8.609 3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.866 -6.289 3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.113 -6.847 3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.231 -3.976 2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.477 -4.537 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.538 -3.100 2.197 1.00 0.00 H new ATOM 240 N LEU A 16 6.033 -6.920 7.466 1.00 0.00 N ATOM 241 CA LEU A 16 6.983 -6.110 8.276 1.00 0.00 C ATOM 242 C LEU A 16 8.066 -7.013 8.883 1.00 0.00 C ATOM 243 O LEU A 16 7.773 -8.067 9.409 1.00 0.00 O ATOM 244 CB LEU A 16 6.217 -5.371 9.393 1.00 0.00 C ATOM 245 CG LEU A 16 6.244 -6.141 10.728 1.00 0.00 C ATOM 246 CD1 LEU A 16 5.468 -5.341 11.776 1.00 0.00 C ATOM 247 CD2 LEU A 16 5.587 -7.517 10.571 1.00 0.00 C ATOM 0 H LEU A 16 5.156 -7.157 7.930 1.00 0.00 H new ATOM 0 HA LEU A 16 7.465 -5.376 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.653 -4.383 9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.183 -5.221 9.083 1.00 0.00 H new ATOM 0 HG LEU A 16 7.281 -6.277 11.036 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.480 -5.877 12.725 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.933 -4.363 11.905 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.437 -5.212 11.446 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.616 -8.045 11.524 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.551 -7.392 10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.126 -8.094 9.820 1.00 0.00 H new ATOM 259 N PRO A 17 9.311 -6.597 8.838 1.00 0.00 N ATOM 260 CA PRO A 17 10.429 -7.381 9.425 1.00 0.00 C ATOM 261 C PRO A 17 10.453 -7.220 10.950 1.00 0.00 C ATOM 262 O PRO A 17 9.430 -7.000 11.568 1.00 0.00 O ATOM 263 CB PRO A 17 11.671 -6.754 8.784 1.00 0.00 C ATOM 264 CG PRO A 17 11.289 -5.335 8.531 1.00 0.00 C ATOM 265 CD PRO A 17 9.797 -5.344 8.224 1.00 0.00 C ATOM 0 HA PRO A 17 10.353 -8.452 9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.535 -6.820 9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.939 -7.263 7.858 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.504 -4.713 9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.856 -4.922 7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.298 -4.473 8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.611 -5.328 7.150 1.00 0.00 H new ATOM 273 N ASP A 18 11.597 -7.308 11.562 1.00 0.00 N ATOM 274 CA ASP A 18 11.659 -7.138 13.034 1.00 0.00 C ATOM 275 C ASP A 18 11.622 -5.643 13.361 1.00 0.00 C ATOM 276 O ASP A 18 11.896 -5.230 14.471 1.00 0.00 O ATOM 277 CB ASP A 18 12.958 -7.754 13.558 1.00 0.00 C ATOM 278 CG ASP A 18 14.160 -7.005 12.976 1.00 0.00 C ATOM 279 OD1 ASP A 18 13.957 -5.946 12.406 1.00 0.00 O ATOM 280 OD2 ASP A 18 15.264 -7.506 13.109 1.00 0.00 O ATOM 0 H ASP A 18 12.491 -7.490 11.106 1.00 0.00 H new ATOM 0 HA ASP A 18 10.812 -7.635 13.506 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.981 -7.706 14.647 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.008 -8.808 13.284 1.00 0.00 H new ATOM 285 N VAL A 19 11.291 -4.829 12.392 1.00 0.00 N ATOM 286 CA VAL A 19 11.240 -3.356 12.624 1.00 0.00 C ATOM 287 C VAL A 19 9.797 -2.863 12.513 1.00 0.00 C ATOM 288 O VAL A 19 9.071 -3.238 11.614 1.00 0.00 O ATOM 289 CB VAL A 19 12.086 -2.651 11.564 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.162 -1.156 11.880 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.496 -3.244 11.556 1.00 0.00 C ATOM 0 H VAL A 19 11.053 -5.124 11.445 1.00 0.00 H new ATOM 0 HA VAL A 19 11.625 -3.136 13.620 1.00 0.00 H new ATOM 0 HB VAL A 19 11.629 -2.791 10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.766 -0.654 11.123 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.157 -0.733 11.882 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.617 -1.014 12.860 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.098 -2.740 10.800 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.954 -3.106 12.535 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.442 -4.308 11.327 1.00 0.00 H new ATOM 301 N ALA A 20 9.376 -2.014 13.411 1.00 0.00 N ATOM 302 CA ALA A 20 7.985 -1.491 13.340 1.00 0.00 C ATOM 303 C ALA A 20 7.871 -0.550 12.129 1.00 0.00 C ATOM 304 O ALA A 20 8.764 0.234 11.880 1.00 0.00 O ATOM 305 CB ALA A 20 7.670 -0.711 14.619 1.00 0.00 C ATOM 0 H ALA A 20 9.935 -1.662 14.188 1.00 0.00 H new ATOM 0 HA ALA A 20 7.282 -2.317 13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.651 -0.327 14.569 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.767 -1.371 15.481 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.367 0.121 14.719 1.00 0.00 H new ATOM 311 N PRO A 21 6.792 -0.608 11.377 1.00 0.00 N ATOM 312 CA PRO A 21 6.611 0.277 10.189 1.00 0.00 C ATOM 313 C PRO A 21 6.913 1.742 10.510 1.00 0.00 C ATOM 314 O PRO A 21 7.290 2.512 9.651 1.00 0.00 O ATOM 315 CB PRO A 21 5.135 0.119 9.830 1.00 0.00 C ATOM 316 CG PRO A 21 4.718 -1.202 10.383 1.00 0.00 C ATOM 317 CD PRO A 21 5.642 -1.514 11.562 1.00 0.00 C ATOM 0 HA PRO A 21 7.290 0.003 9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.541 0.926 10.258 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.990 0.154 8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.678 -1.172 10.708 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.792 -1.978 9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.144 -1.335 12.515 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.954 -2.558 11.557 1.00 0.00 H new ATOM 325 N ALA A 22 6.752 2.134 11.741 1.00 0.00 N ATOM 326 CA ALA A 22 7.034 3.548 12.114 1.00 0.00 C ATOM 327 C ALA A 22 8.546 3.789 12.123 1.00 0.00 C ATOM 328 O ALA A 22 9.004 4.914 12.108 1.00 0.00 O ATOM 329 CB ALA A 22 6.467 3.825 13.508 1.00 0.00 C ATOM 0 H ALA A 22 6.437 1.537 12.506 1.00 0.00 H new ATOM 0 HA ALA A 22 6.568 4.214 11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.671 4.859 13.785 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.390 3.657 13.503 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.935 3.157 14.231 1.00 0.00 H new ATOM 335 N ASP A 23 9.324 2.739 12.159 1.00 0.00 N ATOM 336 CA ASP A 23 10.807 2.906 12.185 1.00 0.00 C ATOM 337 C ASP A 23 11.407 2.561 10.820 1.00 0.00 C ATOM 338 O ASP A 23 12.611 2.510 10.662 1.00 0.00 O ATOM 339 CB ASP A 23 11.401 1.980 13.248 1.00 0.00 C ATOM 340 CG ASP A 23 10.950 2.439 14.636 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.136 1.686 15.577 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.424 3.536 14.733 1.00 0.00 O ATOM 0 H ASP A 23 8.996 1.773 12.172 1.00 0.00 H new ATOM 0 HA ASP A 23 11.042 3.944 12.421 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.080 0.953 13.071 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.489 1.989 13.186 1.00 0.00 H new ATOM 347 N VAL A 24 10.590 2.324 9.831 1.00 0.00 N ATOM 348 CA VAL A 24 11.137 1.986 8.493 1.00 0.00 C ATOM 349 C VAL A 24 11.196 3.251 7.638 1.00 0.00 C ATOM 350 O VAL A 24 10.349 4.118 7.731 1.00 0.00 O ATOM 351 CB VAL A 24 10.235 0.949 7.819 1.00 0.00 C ATOM 352 CG1 VAL A 24 9.901 -0.161 8.815 1.00 0.00 C ATOM 353 CG2 VAL A 24 8.943 1.615 7.344 1.00 0.00 C ATOM 0 H VAL A 24 9.572 2.350 9.894 1.00 0.00 H new ATOM 0 HA VAL A 24 12.140 1.573 8.601 1.00 0.00 H new ATOM 0 HB VAL A 24 10.756 0.524 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.259 -0.899 8.335 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.822 -0.642 9.146 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.384 0.265 9.675 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.305 0.872 6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.420 2.046 8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.181 2.403 6.630 1.00 0.00 H new ATOM 363 N ASP A 25 12.193 3.373 6.810 1.00 0.00 N ATOM 364 CA ASP A 25 12.299 4.589 5.962 1.00 0.00 C ATOM 365 C ASP A 25 11.198 4.560 4.902 1.00 0.00 C ATOM 366 O ASP A 25 11.390 4.070 3.807 1.00 0.00 O ATOM 367 CB ASP A 25 13.667 4.618 5.276 1.00 0.00 C ATOM 368 CG ASP A 25 14.762 4.804 6.330 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.919 4.613 5.992 1.00 0.00 O ATOM 370 OD2 ASP A 25 14.424 5.134 7.454 1.00 0.00 O ATOM 0 H ASP A 25 12.936 2.686 6.684 1.00 0.00 H new ATOM 0 HA ASP A 25 12.188 5.478 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.830 3.691 4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.705 5.430 4.550 1.00 0.00 H new ATOM 375 N VAL A 26 10.043 5.079 5.219 1.00 0.00 N ATOM 376 CA VAL A 26 8.930 5.078 4.227 1.00 0.00 C ATOM 377 C VAL A 26 9.340 5.892 2.996 1.00 0.00 C ATOM 378 O VAL A 26 8.555 6.108 2.094 1.00 0.00 O ATOM 379 CB VAL A 26 7.686 5.703 4.860 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.301 4.917 6.114 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.984 7.154 5.241 1.00 0.00 C ATOM 0 H VAL A 26 9.822 5.503 6.120 1.00 0.00 H new ATOM 0 HA VAL A 26 8.711 4.053 3.927 1.00 0.00 H new ATOM 0 HB VAL A 26 6.862 5.675 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.414 5.363 6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.090 3.882 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.124 4.945 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.098 7.601 5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.808 7.181 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.259 7.716 4.348 1.00 0.00 H new ATOM 391 N ASP A 27 10.568 6.332 2.944 1.00 0.00 N ATOM 392 CA ASP A 27 11.032 7.116 1.765 1.00 0.00 C ATOM 393 C ASP A 27 11.773 6.182 0.808 1.00 0.00 C ATOM 394 O ASP A 27 12.357 6.607 -0.169 1.00 0.00 O ATOM 395 CB ASP A 27 11.974 8.230 2.228 1.00 0.00 C ATOM 396 CG ASP A 27 11.195 9.242 3.069 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.977 9.185 3.050 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.830 10.059 3.715 1.00 0.00 O ATOM 0 H ASP A 27 11.270 6.182 3.668 1.00 0.00 H new ATOM 0 HA ASP A 27 10.176 7.560 1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.792 7.809 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.420 8.725 1.365 1.00 0.00 H new ATOM 403 N LEU A 28 11.754 4.908 1.090 1.00 0.00 N ATOM 404 CA LEU A 28 12.454 3.929 0.211 1.00 0.00 C ATOM 405 C LEU A 28 11.456 3.311 -0.760 1.00 0.00 C ATOM 406 O LEU A 28 10.368 2.921 -0.382 1.00 0.00 O ATOM 407 CB LEU A 28 13.063 2.821 1.073 1.00 0.00 C ATOM 408 CG LEU A 28 13.910 1.887 0.205 1.00 0.00 C ATOM 409 CD1 LEU A 28 15.336 2.430 0.105 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.937 0.493 0.837 1.00 0.00 C ATOM 0 H LEU A 28 11.281 4.501 1.897 1.00 0.00 H new ATOM 0 HA LEU A 28 13.239 4.440 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.679 3.258 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.272 2.255 1.565 1.00 0.00 H new ATOM 0 HG LEU A 28 13.477 1.827 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.937 1.763 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.317 3.423 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.773 2.492 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.540 -0.174 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.370 0.555 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.921 0.105 0.905 1.00 0.00 H new ATOM 422 N ASP A 29 11.817 3.199 -2.007 1.00 0.00 N ATOM 423 CA ASP A 29 10.883 2.586 -2.983 1.00 0.00 C ATOM 424 C ASP A 29 10.669 1.127 -2.583 1.00 0.00 C ATOM 425 O ASP A 29 11.603 0.358 -2.482 1.00 0.00 O ATOM 426 CB ASP A 29 11.482 2.654 -4.389 1.00 0.00 C ATOM 427 CG ASP A 29 11.578 4.116 -4.832 1.00 0.00 C ATOM 428 OD1 ASP A 29 12.250 4.372 -5.818 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.978 4.953 -4.178 1.00 0.00 O ATOM 0 H ASP A 29 12.713 3.504 -2.388 1.00 0.00 H new ATOM 0 HA ASP A 29 9.934 3.122 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.470 2.195 -4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.863 2.091 -5.087 1.00 0.00 H new ATOM 434 N LEU A 30 9.450 0.744 -2.337 1.00 0.00 N ATOM 435 CA LEU A 30 9.186 -0.660 -1.922 1.00 0.00 C ATOM 436 C LEU A 30 9.453 -1.605 -3.095 1.00 0.00 C ATOM 437 O LEU A 30 9.159 -2.783 -3.030 1.00 0.00 O ATOM 438 CB LEU A 30 7.729 -0.796 -1.476 1.00 0.00 C ATOM 439 CG LEU A 30 6.806 -0.296 -2.587 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.666 -1.293 -2.792 1.00 0.00 C ATOM 441 CD2 LEU A 30 6.229 1.064 -2.192 1.00 0.00 C ATOM 0 H LEU A 30 8.626 1.341 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 30 9.845 -0.920 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.505 -1.837 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.562 -0.222 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 30 7.372 -0.198 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.008 -0.936 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.077 -2.263 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.099 -1.392 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.570 1.423 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.663 0.964 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.042 1.775 -2.046 1.00 0.00 H new ATOM 453 N VAL A 31 10.007 -1.106 -4.166 1.00 0.00 N ATOM 454 CA VAL A 31 10.285 -1.993 -5.329 1.00 0.00 C ATOM 455 C VAL A 31 11.105 -3.191 -4.856 1.00 0.00 C ATOM 456 O VAL A 31 10.875 -4.312 -5.264 1.00 0.00 O ATOM 457 CB VAL A 31 11.067 -1.217 -6.391 1.00 0.00 C ATOM 458 CG1 VAL A 31 12.527 -1.084 -5.957 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.997 -1.968 -7.723 1.00 0.00 C ATOM 0 H VAL A 31 10.277 -0.130 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 31 9.346 -2.340 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 31 10.633 -0.224 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.083 -0.531 -6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.577 -0.550 -5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.963 -2.076 -5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.553 -1.417 -8.481 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.431 -2.961 -7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.956 -2.062 -8.033 1.00 0.00 H new ATOM 469 N ASP A 32 12.042 -2.970 -3.977 1.00 0.00 N ATOM 470 CA ASP A 32 12.850 -4.108 -3.461 1.00 0.00 C ATOM 471 C ASP A 32 11.888 -5.113 -2.833 1.00 0.00 C ATOM 472 O ASP A 32 12.065 -6.311 -2.922 1.00 0.00 O ATOM 473 CB ASP A 32 13.835 -3.605 -2.404 1.00 0.00 C ATOM 474 CG ASP A 32 14.810 -4.727 -2.039 1.00 0.00 C ATOM 475 OD1 ASP A 32 15.604 -4.524 -1.136 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.746 -5.769 -2.670 1.00 0.00 O ATOM 0 H ASP A 32 12.282 -2.055 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 32 13.416 -4.573 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.383 -2.742 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.295 -3.275 -1.516 1.00 0.00 H new ATOM 481 N ASN A 33 10.854 -4.615 -2.213 1.00 0.00 N ATOM 482 CA ASN A 33 9.843 -5.503 -1.584 1.00 0.00 C ATOM 483 C ASN A 33 8.827 -5.910 -2.648 1.00 0.00 C ATOM 484 O ASN A 33 7.752 -6.389 -2.346 1.00 0.00 O ATOM 485 CB ASN A 33 9.136 -4.755 -0.457 1.00 0.00 C ATOM 486 CG ASN A 33 10.168 -4.292 0.571 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.480 -3.028 0.634 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 10.699 -5.088 1.319 1.00 0.00 N flip ATOM 0 H ASN A 33 10.667 -3.617 -2.116 1.00 0.00 H new ATOM 0 HA ASN A 33 10.326 -6.389 -1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.596 -3.897 -0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.399 -5.403 0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.454 -6.077 1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.390 -4.768 1.997 1.00 0.00 H new ATOM 495 N GLY A 34 9.158 -5.701 -3.896 1.00 0.00 N ATOM 496 CA GLY A 34 8.220 -6.055 -4.998 1.00 0.00 C ATOM 497 C GLY A 34 7.577 -7.409 -4.707 1.00 0.00 C ATOM 498 O GLY A 34 6.574 -7.767 -5.289 1.00 0.00 O ATOM 0 H GLY A 34 10.044 -5.297 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.451 -5.289 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.755 -6.091 -5.947 1.00 0.00 H new ATOM 502 N VAL A 35 8.130 -8.161 -3.803 1.00 0.00 N ATOM 503 CA VAL A 35 7.523 -9.479 -3.477 1.00 0.00 C ATOM 504 C VAL A 35 6.045 -9.260 -3.152 1.00 0.00 C ATOM 505 O VAL A 35 5.195 -10.060 -3.489 1.00 0.00 O ATOM 506 CB VAL A 35 8.231 -10.084 -2.263 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.447 -11.301 -1.767 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.644 -10.515 -2.659 1.00 0.00 C ATOM 0 H VAL A 35 8.971 -7.924 -3.277 1.00 0.00 H new ATOM 0 HA VAL A 35 7.626 -10.160 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 35 8.287 -9.340 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.952 -11.731 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.440 -10.994 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.390 -12.045 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.149 -10.946 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.588 -11.258 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.204 -9.648 -3.011 1.00 0.00 H new ATOM 518 N ILE A 36 5.737 -8.173 -2.498 1.00 0.00 N ATOM 519 CA ILE A 36 4.320 -7.879 -2.141 1.00 0.00 C ATOM 520 C ILE A 36 3.528 -7.523 -3.400 1.00 0.00 C ATOM 521 O ILE A 36 2.325 -7.661 -3.449 1.00 0.00 O ATOM 522 CB ILE A 36 4.285 -6.678 -1.200 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.978 -6.689 -0.413 1.00 0.00 C ATOM 524 CG2 ILE A 36 4.367 -5.392 -2.022 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.802 -5.353 0.309 1.00 0.00 C ATOM 0 H ILE A 36 6.412 -7.471 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 36 3.883 -8.757 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 36 5.128 -6.729 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.138 -6.864 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.983 -7.506 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.342 -4.531 -1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.296 -5.383 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.521 -5.344 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.868 -5.363 0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.635 -5.197 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.777 -4.545 -0.422 1.00 0.00 H new ATOM 537 N ASP A 37 4.193 -7.042 -4.407 1.00 0.00 N ATOM 538 CA ASP A 37 3.482 -6.647 -5.657 1.00 0.00 C ATOM 539 C ASP A 37 2.797 -7.859 -6.295 1.00 0.00 C ATOM 540 O ASP A 37 1.798 -7.723 -6.973 1.00 0.00 O ATOM 541 CB ASP A 37 4.477 -6.048 -6.654 1.00 0.00 C ATOM 542 CG ASP A 37 5.057 -4.753 -6.081 1.00 0.00 C ATOM 543 OD1 ASP A 37 6.057 -4.291 -6.605 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.492 -4.246 -5.126 1.00 0.00 O ATOM 0 H ASP A 37 5.203 -6.903 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 37 2.725 -5.906 -5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.278 -6.759 -6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.981 -5.848 -7.604 1.00 0.00 H new ATOM 549 N SER A 38 3.333 -9.036 -6.115 1.00 0.00 N ATOM 550 CA SER A 38 2.711 -10.236 -6.744 1.00 0.00 C ATOM 551 C SER A 38 1.962 -11.074 -5.704 1.00 0.00 C ATOM 552 O SER A 38 0.761 -11.234 -5.774 1.00 0.00 O ATOM 553 CB SER A 38 3.805 -11.088 -7.388 1.00 0.00 C ATOM 554 OG SER A 38 4.549 -10.281 -8.308 1.00 0.00 O ATOM 0 H SER A 38 4.171 -9.218 -5.562 1.00 0.00 H new ATOM 0 HA SER A 38 1.997 -9.904 -7.498 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.467 -11.491 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.362 -11.938 -7.907 1.00 0.00 H new ATOM 559 N LEU A 39 2.663 -11.632 -4.757 1.00 0.00 N ATOM 560 CA LEU A 39 1.987 -12.484 -3.738 1.00 0.00 C ATOM 561 C LEU A 39 1.201 -11.627 -2.748 1.00 0.00 C ATOM 562 O LEU A 39 0.030 -11.849 -2.514 1.00 0.00 O ATOM 563 CB LEU A 39 3.036 -13.290 -2.980 1.00 0.00 C ATOM 564 CG LEU A 39 3.930 -14.040 -3.968 1.00 0.00 C ATOM 565 CD1 LEU A 39 4.778 -15.049 -3.204 1.00 0.00 C ATOM 566 CD2 LEU A 39 3.075 -14.777 -5.001 1.00 0.00 C ATOM 0 H LEU A 39 3.672 -11.536 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 39 1.294 -13.152 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.640 -12.626 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.549 -13.997 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 39 4.571 -13.326 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.419 -15.588 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.396 -14.526 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.127 -15.755 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.724 -15.307 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.427 -15.492 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.465 -14.058 -5.548 1.00 0.00 H new ATOM 578 N GLY A 40 1.831 -10.653 -2.163 1.00 0.00 N ATOM 579 CA GLY A 40 1.114 -9.787 -1.187 1.00 0.00 C ATOM 580 C GLY A 40 -0.001 -9.035 -1.903 1.00 0.00 C ATOM 581 O GLY A 40 -1.068 -8.818 -1.365 1.00 0.00 O ATOM 0 H GLY A 40 2.811 -10.417 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.700 -10.393 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.809 -9.082 -0.731 1.00 0.00 H new ATOM 585 N LEU A 41 0.242 -8.635 -3.118 1.00 0.00 N ATOM 586 CA LEU A 41 -0.796 -7.893 -3.879 1.00 0.00 C ATOM 587 C LEU A 41 -2.019 -8.786 -4.058 1.00 0.00 C ATOM 588 O LEU A 41 -3.145 -8.344 -3.956 1.00 0.00 O ATOM 589 CB LEU A 41 -0.235 -7.502 -5.247 1.00 0.00 C ATOM 590 CG LEU A 41 -1.226 -6.593 -5.978 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.454 -5.516 -6.739 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.047 -7.424 -6.970 1.00 0.00 C ATOM 0 H LEU A 41 1.118 -8.791 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.082 -6.992 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.719 -6.990 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.043 -8.396 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.894 -6.126 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.156 -4.866 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.134 -4.925 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.211 -5.988 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.753 -6.777 -7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.379 -7.890 -7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.594 -8.198 -6.431 1.00 0.00 H new ATOM 604 N LEU A 42 -1.807 -10.045 -4.316 1.00 0.00 N ATOM 605 CA LEU A 42 -2.965 -10.961 -4.491 1.00 0.00 C ATOM 606 C LEU A 42 -3.785 -10.958 -3.203 1.00 0.00 C ATOM 607 O LEU A 42 -4.997 -10.880 -3.224 1.00 0.00 O ATOM 608 CB LEU A 42 -2.457 -12.378 -4.777 1.00 0.00 C ATOM 609 CG LEU A 42 -3.635 -13.300 -5.096 1.00 0.00 C ATOM 610 CD1 LEU A 42 -3.981 -13.182 -6.577 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.250 -14.746 -4.776 1.00 0.00 C ATOM 0 H LEU A 42 -0.888 -10.477 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.583 -10.630 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.760 -12.361 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.910 -12.758 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.498 -13.013 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.820 -13.838 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.252 -12.151 -6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.118 -13.472 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.089 -15.404 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.389 -15.035 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.998 -14.830 -3.719 1.00 0.00 H new ATOM 623 N LYS A 43 -3.128 -11.027 -2.077 1.00 0.00 N ATOM 624 CA LYS A 43 -3.861 -11.012 -0.785 1.00 0.00 C ATOM 625 C LYS A 43 -4.508 -9.640 -0.579 1.00 0.00 C ATOM 626 O LYS A 43 -5.622 -9.530 -0.108 1.00 0.00 O ATOM 627 CB LYS A 43 -2.881 -11.290 0.352 1.00 0.00 C ATOM 628 CG LYS A 43 -2.323 -12.708 0.211 1.00 0.00 C ATOM 629 CD LYS A 43 -1.431 -13.027 1.412 1.00 0.00 C ATOM 630 CE LYS A 43 -0.780 -14.397 1.214 1.00 0.00 C ATOM 631 NZ LYS A 43 0.135 -14.347 0.039 1.00 0.00 N ATOM 0 H LYS A 43 -2.113 -11.093 -1.999 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.636 -11.778 -0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.068 -10.564 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.382 -11.179 1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.140 -13.427 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.752 -12.795 -0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.664 -12.261 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.021 -13.022 2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.225 -14.681 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.546 -15.157 1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.859 -15.088 0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.411 -14.502 -0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.597 -13.416 -0.002 1.00 0.00 H new ATOM 645 N VAL A 44 -3.809 -8.591 -0.926 1.00 0.00 N ATOM 646 CA VAL A 44 -4.372 -7.221 -0.748 1.00 0.00 C ATOM 647 C VAL A 44 -5.589 -7.031 -1.656 1.00 0.00 C ATOM 648 O VAL A 44 -6.612 -6.524 -1.242 1.00 0.00 O ATOM 649 CB VAL A 44 -3.301 -6.190 -1.112 1.00 0.00 C ATOM 650 CG1 VAL A 44 -3.917 -4.790 -1.139 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.182 -6.234 -0.069 1.00 0.00 C ATOM 0 H VAL A 44 -2.871 -8.625 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.680 -7.089 0.289 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.896 -6.422 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.150 -4.060 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.715 -4.758 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.326 -4.553 -0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.417 -5.501 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.592 -6.003 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.739 -7.230 -0.052 1.00 0.00 H new ATOM 661 N ILE A 45 -5.489 -7.430 -2.892 1.00 0.00 N ATOM 662 CA ILE A 45 -6.637 -7.269 -3.823 1.00 0.00 C ATOM 663 C ILE A 45 -7.825 -8.094 -3.323 1.00 0.00 C ATOM 664 O ILE A 45 -8.956 -7.655 -3.360 1.00 0.00 O ATOM 665 CB ILE A 45 -6.221 -7.741 -5.219 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.729 -6.544 -6.039 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.415 -8.383 -5.927 1.00 0.00 C ATOM 668 CD1 ILE A 45 -4.705 -5.743 -5.232 1.00 0.00 C ATOM 0 H ILE A 45 -4.659 -7.862 -3.298 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.931 -6.220 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.420 -8.474 -5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.280 -6.890 -6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.571 -5.907 -6.309 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.113 -8.717 -6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.765 -9.237 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.219 -7.653 -6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.360 -4.894 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.167 -5.382 -4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.857 -6.381 -4.985 1.00 0.00 H new ATOM 680 N ALA A 46 -7.578 -9.289 -2.860 1.00 0.00 N ATOM 681 CA ALA A 46 -8.696 -10.138 -2.363 1.00 0.00 C ATOM 682 C ALA A 46 -9.354 -9.468 -1.155 1.00 0.00 C ATOM 683 O ALA A 46 -10.560 -9.467 -1.013 1.00 0.00 O ATOM 684 CB ALA A 46 -8.145 -11.504 -1.948 1.00 0.00 C ATOM 0 H ALA A 46 -6.652 -9.713 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.436 -10.263 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.960 -12.129 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.676 -11.984 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.406 -11.373 -1.157 1.00 0.00 H new ATOM 690 N TRP A 47 -8.571 -8.902 -0.281 1.00 0.00 N ATOM 691 CA TRP A 47 -9.151 -8.231 0.915 1.00 0.00 C ATOM 692 C TRP A 47 -9.693 -6.852 0.529 1.00 0.00 C ATOM 693 O TRP A 47 -10.801 -6.490 0.870 1.00 0.00 O ATOM 694 CB TRP A 47 -8.065 -8.074 1.980 1.00 0.00 C ATOM 695 CG TRP A 47 -8.288 -6.807 2.741 1.00 0.00 C ATOM 696 CD1 TRP A 47 -9.134 -6.664 3.786 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.667 -5.506 2.535 1.00 0.00 C ATOM 698 NE1 TRP A 47 -9.070 -5.356 4.234 1.00 0.00 N ATOM 699 CE2 TRP A 47 -8.179 -4.605 3.495 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.720 -5.028 1.617 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.761 -3.273 3.543 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.297 -3.691 1.661 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.816 -2.816 2.622 1.00 0.00 C ATOM 0 H TRP A 47 -7.553 -8.875 -0.343 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.968 -8.836 1.308 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.082 -8.926 2.660 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.081 -8.060 1.511 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.757 -7.442 4.202 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.615 -4.992 5.015 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.313 -5.694 0.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -8.165 -2.602 4.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.567 -3.335 0.949 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.486 -1.788 2.651 1.00 0.00 H new ATOM 714 N LEU A 48 -8.905 -6.074 -0.162 1.00 0.00 N ATOM 715 CA LEU A 48 -9.348 -4.709 -0.555 1.00 0.00 C ATOM 716 C LEU A 48 -10.604 -4.780 -1.428 1.00 0.00 C ATOM 717 O LEU A 48 -11.531 -4.015 -1.254 1.00 0.00 O ATOM 718 CB LEU A 48 -8.222 -4.035 -1.341 1.00 0.00 C ATOM 719 CG LEU A 48 -8.563 -2.572 -1.597 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.140 -1.746 -0.389 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.810 -2.088 -2.837 1.00 0.00 C ATOM 0 H LEU A 48 -7.967 -6.329 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.582 -4.136 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.287 -4.106 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.070 -4.552 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.635 -2.463 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.380 -0.697 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.670 -2.098 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.066 -1.851 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.051 -1.042 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.737 -2.190 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.104 -2.687 -3.698 1.00 0.00 H new ATOM 733 N GLU A 49 -10.648 -5.684 -2.366 1.00 0.00 N ATOM 734 CA GLU A 49 -11.850 -5.780 -3.234 1.00 0.00 C ATOM 735 C GLU A 49 -13.041 -6.231 -2.390 1.00 0.00 C ATOM 736 O GLU A 49 -14.159 -5.802 -2.591 1.00 0.00 O ATOM 737 CB GLU A 49 -11.585 -6.796 -4.348 1.00 0.00 C ATOM 738 CG GLU A 49 -11.453 -8.191 -3.743 1.00 0.00 C ATOM 739 CD GLU A 49 -12.811 -8.897 -3.771 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.808 -8.216 -3.951 1.00 0.00 O ATOM 741 OE2 GLU A 49 -12.831 -10.105 -3.610 1.00 0.00 O ATOM 0 H GLU A 49 -9.908 -6.356 -2.567 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.070 -4.809 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.399 -6.778 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.674 -6.533 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.719 -8.772 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.090 -8.120 -2.718 1.00 0.00 H new ATOM 748 N ASP A 50 -12.805 -7.094 -1.441 1.00 0.00 N ATOM 749 CA ASP A 50 -13.911 -7.579 -0.572 1.00 0.00 C ATOM 750 C ASP A 50 -14.354 -6.472 0.388 1.00 0.00 C ATOM 751 O ASP A 50 -15.530 -6.248 0.596 1.00 0.00 O ATOM 752 CB ASP A 50 -13.416 -8.773 0.238 1.00 0.00 C ATOM 753 CG ASP A 50 -14.597 -9.432 0.955 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.360 -10.344 1.731 1.00 0.00 O ATOM 755 OD2 ASP A 50 -15.717 -9.013 0.718 1.00 0.00 O ATOM 0 H ASP A 50 -11.887 -7.486 -1.230 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.757 -7.868 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.928 -9.494 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.671 -8.449 0.965 1.00 0.00 H new ATOM 760 N ARG A 51 -13.417 -5.797 0.993 1.00 0.00 N ATOM 761 CA ARG A 51 -13.769 -4.723 1.965 1.00 0.00 C ATOM 762 C ARG A 51 -14.578 -3.612 1.290 1.00 0.00 C ATOM 763 O ARG A 51 -15.513 -3.089 1.864 1.00 0.00 O ATOM 764 CB ARG A 51 -12.487 -4.132 2.557 1.00 0.00 C ATOM 765 CG ARG A 51 -12.850 -3.103 3.630 1.00 0.00 C ATOM 766 CD ARG A 51 -11.575 -2.483 4.204 1.00 0.00 C ATOM 767 NE ARG A 51 -10.797 -3.529 4.927 1.00 0.00 N ATOM 768 CZ ARG A 51 -10.019 -3.196 5.924 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.351 -4.116 6.564 1.00 0.00 N ATOM 770 NH2 ARG A 51 -9.905 -1.945 6.277 1.00 0.00 N ATOM 0 H ARG A 51 -12.417 -5.943 0.856 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.379 -5.161 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.874 -4.923 2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.894 -3.662 1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.483 -2.326 3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.424 -3.580 4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.973 -2.055 3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.827 -1.668 4.882 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.872 -4.506 4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.436 -5.094 6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.744 -3.857 7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.423 -1.224 5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.298 -1.688 7.055 1.00 0.00 H new ATOM 784 N PHE A 52 -14.230 -3.229 0.089 1.00 0.00 N ATOM 785 CA PHE A 52 -14.983 -2.141 -0.588 1.00 0.00 C ATOM 786 C PHE A 52 -15.923 -2.726 -1.642 1.00 0.00 C ATOM 787 O PHE A 52 -16.714 -2.022 -2.238 1.00 0.00 O ATOM 788 CB PHE A 52 -13.987 -1.194 -1.254 1.00 0.00 C ATOM 789 CG PHE A 52 -13.171 -0.496 -0.192 1.00 0.00 C ATOM 790 CD1 PHE A 52 -13.634 0.698 0.373 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.954 -1.045 0.229 1.00 0.00 C ATOM 792 CE1 PHE A 52 -12.880 1.344 1.360 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.199 -0.399 1.216 1.00 0.00 C ATOM 794 CZ PHE A 52 -11.662 0.795 1.781 1.00 0.00 C ATOM 0 H PHE A 52 -13.458 -3.624 -0.448 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.579 -1.599 0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.332 -1.750 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.517 -0.460 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.573 1.121 0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.597 -1.966 -0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.237 2.265 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.260 -0.822 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.080 1.293 2.542 1.00 0.00 H new ATOM 804 N GLY A 53 -15.848 -4.005 -1.880 1.00 0.00 N ATOM 805 CA GLY A 53 -16.745 -4.619 -2.897 1.00 0.00 C ATOM 806 C GLY A 53 -16.391 -4.070 -4.279 1.00 0.00 C ATOM 807 O GLY A 53 -17.246 -3.887 -5.122 1.00 0.00 O ATOM 0 H GLY A 53 -15.207 -4.649 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.638 -5.704 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.786 -4.399 -2.661 1.00 0.00 H new ATOM 811 N ILE A 54 -15.138 -3.797 -4.516 1.00 0.00 N ATOM 812 CA ILE A 54 -14.733 -3.248 -5.844 1.00 0.00 C ATOM 813 C ILE A 54 -14.198 -4.381 -6.721 1.00 0.00 C ATOM 814 O ILE A 54 -13.403 -5.186 -6.289 1.00 0.00 O ATOM 815 CB ILE A 54 -13.636 -2.204 -5.642 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.136 -1.124 -4.681 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.282 -1.565 -6.985 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.962 -0.247 -4.246 1.00 0.00 C ATOM 0 H ILE A 54 -14.377 -3.929 -3.850 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.594 -2.788 -6.329 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.750 -2.684 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.899 -0.515 -5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.602 -1.584 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.499 -0.821 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.928 -2.334 -7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.166 -1.084 -7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.317 0.523 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.215 -0.862 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.516 0.224 -5.122 1.00 0.00 H new ATOM 830 N ALA A 55 -14.628 -4.451 -7.952 1.00 0.00 N ATOM 831 CA ALA A 55 -14.137 -5.538 -8.844 1.00 0.00 C ATOM 832 C ALA A 55 -12.626 -5.392 -9.040 1.00 0.00 C ATOM 833 O ALA A 55 -12.116 -4.306 -9.229 1.00 0.00 O ATOM 834 CB ALA A 55 -14.841 -5.446 -10.199 1.00 0.00 C ATOM 0 H ALA A 55 -15.295 -3.806 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.353 -6.505 -8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.481 -6.242 -10.851 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.917 -5.551 -10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.628 -4.479 -10.655 1.00 0.00 H new ATOM 840 N ALA A 56 -11.908 -6.479 -8.988 1.00 0.00 N ATOM 841 CA ALA A 56 -10.431 -6.412 -9.163 1.00 0.00 C ATOM 842 C ALA A 56 -10.085 -6.032 -10.607 1.00 0.00 C ATOM 843 O ALA A 56 -9.057 -5.442 -10.871 1.00 0.00 O ATOM 844 CB ALA A 56 -9.818 -7.775 -8.838 1.00 0.00 C ATOM 0 H ALA A 56 -12.283 -7.415 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.029 -5.655 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.737 -7.727 -8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.050 -8.042 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.230 -8.529 -9.509 1.00 0.00 H new ATOM 850 N ASP A 57 -10.924 -6.380 -11.544 1.00 0.00 N ATOM 851 CA ASP A 57 -10.627 -6.055 -12.966 1.00 0.00 C ATOM 852 C ASP A 57 -11.103 -4.639 -13.302 1.00 0.00 C ATOM 853 O ASP A 57 -10.986 -4.189 -14.426 1.00 0.00 O ATOM 854 CB ASP A 57 -11.344 -7.062 -13.865 1.00 0.00 C ATOM 855 CG ASP A 57 -12.859 -6.920 -13.696 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.570 -7.796 -14.158 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.283 -5.940 -13.106 1.00 0.00 O ATOM 0 H ASP A 57 -11.802 -6.875 -11.386 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.550 -6.107 -13.128 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.068 -6.895 -14.906 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.034 -8.076 -13.611 1.00 0.00 H new ATOM 862 N ASP A 58 -11.635 -3.927 -12.347 1.00 0.00 N ATOM 863 CA ASP A 58 -12.107 -2.543 -12.635 1.00 0.00 C ATOM 864 C ASP A 58 -10.932 -1.689 -13.117 1.00 0.00 C ATOM 865 O ASP A 58 -11.074 -0.861 -13.993 1.00 0.00 O ATOM 866 CB ASP A 58 -12.702 -1.929 -11.368 1.00 0.00 C ATOM 867 CG ASP A 58 -14.022 -2.628 -11.040 1.00 0.00 C ATOM 868 OD1 ASP A 58 -14.531 -3.323 -11.903 1.00 0.00 O ATOM 869 OD2 ASP A 58 -14.501 -2.455 -9.932 1.00 0.00 O ATOM 0 H ASP A 58 -11.763 -4.241 -11.385 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.871 -2.577 -13.412 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.005 -2.035 -10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.868 -0.861 -11.511 1.00 0.00 H new ATOM 874 N VAL A 59 -9.774 -1.888 -12.549 1.00 0.00 N ATOM 875 CA VAL A 59 -8.585 -1.092 -12.970 1.00 0.00 C ATOM 876 C VAL A 59 -7.404 -2.032 -13.222 1.00 0.00 C ATOM 877 O VAL A 59 -7.376 -3.150 -12.746 1.00 0.00 O ATOM 878 CB VAL A 59 -8.217 -0.101 -11.862 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.422 0.789 -11.554 1.00 0.00 C ATOM 880 CG2 VAL A 59 -7.818 -0.873 -10.602 1.00 0.00 C ATOM 0 H VAL A 59 -9.599 -2.569 -11.810 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.819 -0.547 -13.885 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.382 0.519 -12.189 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.161 1.495 -10.765 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.708 1.337 -12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.257 0.170 -11.225 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.556 -0.169 -9.812 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.654 -1.491 -10.274 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.960 -1.509 -10.821 1.00 0.00 H new ATOM 890 N GLU A 60 -6.426 -1.588 -13.964 1.00 0.00 N ATOM 891 CA GLU A 60 -5.249 -2.458 -14.239 1.00 0.00 C ATOM 892 C GLU A 60 -4.130 -2.123 -13.251 1.00 0.00 C ATOM 893 O GLU A 60 -3.878 -0.974 -12.950 1.00 0.00 O ATOM 894 CB GLU A 60 -4.756 -2.223 -15.666 1.00 0.00 C ATOM 895 CG GLU A 60 -3.621 -3.192 -15.974 1.00 0.00 C ATOM 896 CD GLU A 60 -3.074 -2.916 -17.376 1.00 0.00 C ATOM 897 OE1 GLU A 60 -3.563 -1.995 -18.009 1.00 0.00 O ATOM 898 OE2 GLU A 60 -2.177 -3.630 -17.792 1.00 0.00 O ATOM 0 H GLU A 60 -6.392 -0.662 -14.391 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.537 -3.503 -14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.573 -2.366 -16.373 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.412 -1.195 -15.779 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.827 -3.084 -15.235 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.979 -4.219 -15.909 1.00 0.00 H new ATOM 905 N LEU A 61 -3.463 -3.121 -12.737 1.00 0.00 N ATOM 906 CA LEU A 61 -2.369 -2.861 -11.764 1.00 0.00 C ATOM 907 C LEU A 61 -1.013 -2.994 -12.461 1.00 0.00 C ATOM 908 O LEU A 61 -0.807 -3.870 -13.277 1.00 0.00 O ATOM 909 CB LEU A 61 -2.457 -3.878 -10.625 1.00 0.00 C ATOM 910 CG LEU A 61 -3.877 -3.895 -10.065 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.921 -4.762 -8.808 1.00 0.00 C ATOM 912 CD2 LEU A 61 -4.309 -2.469 -9.720 1.00 0.00 C ATOM 0 H LEU A 61 -3.630 -4.104 -12.950 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.470 -1.851 -11.366 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.186 -4.870 -10.987 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.748 -3.621 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.555 -4.307 -10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.935 -4.773 -8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.617 -5.779 -9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.242 -4.353 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.323 -2.483 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.631 -2.054 -8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.282 -1.853 -10.619 1.00 0.00 H new ATOM 924 N SER A 62 -0.086 -2.133 -12.140 1.00 0.00 N ATOM 925 CA SER A 62 1.259 -2.210 -12.775 1.00 0.00 C ATOM 926 C SER A 62 2.335 -2.015 -11.703 1.00 0.00 C ATOM 927 O SER A 62 2.084 -1.446 -10.660 1.00 0.00 O ATOM 928 CB SER A 62 1.388 -1.115 -13.834 1.00 0.00 C ATOM 929 OG SER A 62 1.432 -1.713 -15.124 1.00 0.00 O ATOM 0 H SER A 62 -0.203 -1.378 -11.464 1.00 0.00 H new ATOM 0 HA SER A 62 1.385 -3.184 -13.247 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.545 -0.427 -13.768 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.291 -0.530 -13.661 1.00 0.00 H new ATOM 0 HG SER A 62 1.513 -1.014 -15.806 1.00 0.00 H new ATOM 935 N PRO A 63 3.525 -2.486 -11.961 1.00 0.00 N ATOM 936 CA PRO A 63 4.663 -2.365 -11.003 1.00 0.00 C ATOM 937 C PRO A 63 5.032 -0.905 -10.727 1.00 0.00 C ATOM 938 O PRO A 63 5.480 -0.560 -9.652 1.00 0.00 O ATOM 939 CB PRO A 63 5.824 -3.086 -11.699 1.00 0.00 C ATOM 940 CG PRO A 63 5.442 -3.185 -13.140 1.00 0.00 C ATOM 941 CD PRO A 63 3.917 -3.182 -13.193 1.00 0.00 C ATOM 0 HA PRO A 63 4.413 -2.792 -10.032 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.755 -2.532 -11.579 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.984 -4.075 -11.269 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.850 -2.348 -13.707 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.842 -4.096 -13.584 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.549 -2.665 -14.079 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.516 -4.195 -13.225 1.00 0.00 H new ATOM 949 N GLU A 64 4.846 -0.049 -11.691 1.00 0.00 N ATOM 950 CA GLU A 64 5.184 1.388 -11.492 1.00 0.00 C ATOM 951 C GLU A 64 4.281 1.987 -10.413 1.00 0.00 C ATOM 952 O GLU A 64 4.673 2.881 -9.688 1.00 0.00 O ATOM 953 CB GLU A 64 4.981 2.145 -12.803 1.00 0.00 C ATOM 954 CG GLU A 64 5.968 1.634 -13.846 1.00 0.00 C ATOM 955 CD GLU A 64 5.813 2.441 -15.137 1.00 0.00 C ATOM 956 OE1 GLU A 64 6.639 2.276 -16.019 1.00 0.00 O ATOM 957 OE2 GLU A 64 4.869 3.210 -15.222 1.00 0.00 O ATOM 0 H GLU A 64 4.473 -0.283 -12.611 1.00 0.00 H new ATOM 0 HA GLU A 64 6.225 1.473 -11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.959 2.011 -13.158 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.125 3.214 -12.644 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.988 1.722 -13.470 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.790 0.577 -14.042 1.00 0.00 H new ATOM 964 N HIS A 65 3.072 1.511 -10.305 1.00 0.00 N ATOM 965 CA HIS A 65 2.145 2.064 -9.276 1.00 0.00 C ATOM 966 C HIS A 65 2.638 1.689 -7.877 1.00 0.00 C ATOM 967 O HIS A 65 2.374 2.377 -6.912 1.00 0.00 O ATOM 968 CB HIS A 65 0.742 1.494 -9.490 1.00 0.00 C ATOM 969 CG HIS A 65 -0.201 2.118 -8.501 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.467 3.480 -8.491 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.947 1.583 -7.478 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.338 3.717 -7.491 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.660 2.595 -6.846 1.00 0.00 N ATOM 0 H HIS A 65 2.685 0.765 -10.883 1.00 0.00 H new ATOM 0 HA HIS A 65 2.116 3.150 -9.369 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.406 1.695 -10.507 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.754 0.411 -9.366 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.074 4.175 -9.126 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.975 0.538 -7.207 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.727 4.693 -7.243 1.00 0.00 H new ATOM 982 N PHE A 66 3.348 0.602 -7.758 1.00 0.00 N ATOM 983 CA PHE A 66 3.851 0.188 -6.418 1.00 0.00 C ATOM 984 C PHE A 66 5.309 0.624 -6.259 1.00 0.00 C ATOM 985 O PHE A 66 5.964 0.294 -5.290 1.00 0.00 O ATOM 986 CB PHE A 66 3.747 -1.332 -6.284 1.00 0.00 C ATOM 987 CG PHE A 66 2.293 -1.736 -6.326 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.711 -2.133 -7.536 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.525 -1.708 -5.156 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.360 -2.501 -7.575 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.176 -2.078 -5.195 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.407 -2.474 -6.404 1.00 0.00 C ATOM 0 H PHE A 66 3.601 -0.017 -8.528 1.00 0.00 H new ATOM 0 HA PHE A 66 3.250 0.661 -5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.295 -1.818 -7.091 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.201 -1.658 -5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.303 -2.155 -8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.974 -1.401 -4.223 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.090 -2.806 -8.508 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.415 -2.058 -4.292 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.448 -2.759 -6.434 1.00 0.00 H new ATOM 1002 N ARG A 67 5.821 1.364 -7.204 1.00 0.00 N ATOM 1003 CA ARG A 67 7.236 1.821 -7.107 1.00 0.00 C ATOM 1004 C ARG A 67 7.438 2.573 -5.787 1.00 0.00 C ATOM 1005 O ARG A 67 8.461 2.450 -5.145 1.00 0.00 O ATOM 1006 CB ARG A 67 7.548 2.754 -8.284 1.00 0.00 C ATOM 1007 CG ARG A 67 9.031 3.139 -8.284 1.00 0.00 C ATOM 1008 CD ARG A 67 9.863 2.031 -8.938 1.00 0.00 C ATOM 1009 NE ARG A 67 11.302 2.419 -8.926 1.00 0.00 N ATOM 1010 CZ ARG A 67 11.775 3.194 -9.863 1.00 0.00 C ATOM 1011 NH1 ARG A 67 13.035 3.535 -9.853 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.990 3.625 -10.812 1.00 0.00 N ATOM 0 H ARG A 67 5.321 1.672 -8.038 1.00 0.00 H new ATOM 0 HA ARG A 67 7.904 0.960 -7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.294 2.262 -9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.933 3.651 -8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.171 4.076 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.372 3.305 -7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.724 1.092 -8.402 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.528 1.866 -9.962 1.00 0.00 H new ATOM 0 HE ARG A 67 11.916 2.079 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.649 3.196 -9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.405 4.141 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.006 3.356 -10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.360 4.231 -11.544 1.00 0.00 H new ATOM 1026 N SER A 68 6.471 3.352 -5.381 1.00 0.00 N ATOM 1027 CA SER A 68 6.611 4.110 -4.103 1.00 0.00 C ATOM 1028 C SER A 68 5.317 3.999 -3.291 1.00 0.00 C ATOM 1029 O SER A 68 4.245 3.822 -3.833 1.00 0.00 O ATOM 1030 CB SER A 68 6.892 5.580 -4.414 1.00 0.00 C ATOM 1031 OG SER A 68 5.752 6.154 -5.039 1.00 0.00 O ATOM 0 H SER A 68 5.592 3.496 -5.878 1.00 0.00 H new ATOM 0 HA SER A 68 7.436 3.693 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.128 6.119 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.761 5.666 -5.067 1.00 0.00 H new ATOM 0 HG SER A 68 5.928 7.097 -5.238 1.00 0.00 H new ATOM 1037 N ILE A 69 5.413 4.106 -1.994 1.00 0.00 N ATOM 1038 CA ILE A 69 4.203 4.010 -1.138 1.00 0.00 C ATOM 1039 C ILE A 69 3.249 5.166 -1.453 1.00 0.00 C ATOM 1040 O ILE A 69 2.044 5.014 -1.428 1.00 0.00 O ATOM 1041 CB ILE A 69 4.628 4.088 0.328 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.581 2.942 0.647 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.403 3.970 1.217 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.134 3.115 2.063 1.00 0.00 C ATOM 0 H ILE A 69 6.286 4.257 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 69 3.693 3.066 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 69 5.126 5.041 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.060 1.988 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.398 2.924 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.706 4.026 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.713 4.784 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.910 3.016 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.815 2.295 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.670 4.062 2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.311 3.112 2.778 1.00 0.00 H new ATOM 1056 N ARG A 70 3.779 6.324 -1.737 1.00 0.00 N ATOM 1057 CA ARG A 70 2.906 7.494 -2.038 1.00 0.00 C ATOM 1058 C ARG A 70 2.034 7.204 -3.262 1.00 0.00 C ATOM 1059 O ARG A 70 0.883 7.589 -3.316 1.00 0.00 O ATOM 1060 CB ARG A 70 3.779 8.719 -2.318 1.00 0.00 C ATOM 1061 CG ARG A 70 2.888 9.946 -2.519 1.00 0.00 C ATOM 1062 CD ARG A 70 3.761 11.179 -2.759 1.00 0.00 C ATOM 1063 NE ARG A 70 4.429 11.062 -4.086 1.00 0.00 N ATOM 1064 CZ ARG A 70 5.179 12.036 -4.527 1.00 0.00 C ATOM 1065 NH1 ARG A 70 5.764 11.933 -5.689 1.00 0.00 N ATOM 1066 NH2 ARG A 70 5.343 13.111 -3.806 1.00 0.00 N ATOM 0 H ARG A 70 4.781 6.511 -1.774 1.00 0.00 H new ATOM 0 HA ARG A 70 2.261 7.685 -1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.465 8.887 -1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.388 8.549 -3.206 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.221 9.789 -3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.258 10.099 -1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.151 12.082 -2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.508 11.268 -1.970 1.00 0.00 H new ATOM 0 HE ARG A 70 4.301 10.222 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.635 11.092 -6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.350 12.693 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.885 13.191 -2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.929 13.872 -4.150 1.00 0.00 H new ATOM 1080 N SER A 71 2.567 6.537 -4.249 1.00 0.00 N ATOM 1081 CA SER A 71 1.756 6.240 -5.463 1.00 0.00 C ATOM 1082 C SER A 71 0.503 5.453 -5.066 1.00 0.00 C ATOM 1083 O SER A 71 -0.585 5.719 -5.538 1.00 0.00 O ATOM 1084 CB SER A 71 2.589 5.411 -6.440 1.00 0.00 C ATOM 1085 OG SER A 71 1.871 5.258 -7.657 1.00 0.00 O ATOM 0 H SER A 71 3.525 6.186 -4.267 1.00 0.00 H new ATOM 0 HA SER A 71 1.460 7.175 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.545 5.901 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.810 4.434 -6.010 1.00 0.00 H new ATOM 0 HG SER A 71 1.195 4.556 -7.552 1.00 0.00 H new ATOM 1091 N ILE A 72 0.646 4.490 -4.196 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.530 3.695 -3.766 1.00 0.00 C ATOM 1093 C ILE A 72 -1.539 4.615 -3.080 1.00 0.00 C ATOM 1094 O ILE A 72 -2.735 4.489 -3.261 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.068 2.618 -2.787 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.956 1.711 -3.473 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.267 1.788 -2.348 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.516 0.712 -2.458 1.00 0.00 C ATOM 0 H ILE A 72 1.531 4.222 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.000 3.227 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 72 0.389 3.088 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.489 1.180 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.764 2.310 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.940 1.018 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.998 2.434 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.722 1.317 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.245 0.066 -2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.999 1.253 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.704 0.105 -2.059 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.066 5.542 -2.295 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.994 6.474 -1.596 1.00 0.00 C ATOM 1112 C ASP A 73 -2.849 7.209 -2.629 1.00 0.00 C ATOM 1113 O ASP A 73 -4.014 7.473 -2.409 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.184 7.489 -0.787 1.00 0.00 C ATOM 1115 CG ASP A 73 -2.127 8.305 0.100 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -1.656 9.232 0.736 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -3.304 7.986 0.128 1.00 0.00 O ATOM 0 H ASP A 73 -0.075 5.695 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.641 5.909 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.445 6.974 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.636 8.150 -1.458 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.279 7.547 -3.754 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.063 8.267 -4.794 1.00 0.00 C ATOM 1124 C ALA A 74 -4.230 7.392 -5.251 1.00 0.00 C ATOM 1125 O ALA A 74 -5.332 7.865 -5.446 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.160 8.579 -5.989 1.00 0.00 C ATOM 0 H ALA A 74 -1.307 7.356 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.449 9.198 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.734 9.106 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.329 9.204 -5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.773 7.649 -6.405 1.00 0.00 H new ATOM 1132 N PHE A 75 -4.001 6.120 -5.420 1.00 0.00 N ATOM 1133 CA PHE A 75 -5.108 5.224 -5.860 1.00 0.00 C ATOM 1134 C PHE A 75 -6.209 5.210 -4.799 1.00 0.00 C ATOM 1135 O PHE A 75 -7.379 5.335 -5.102 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.580 3.804 -6.056 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.694 2.924 -6.569 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -6.433 2.141 -5.675 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.988 2.893 -7.937 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -7.468 1.326 -6.150 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -7.023 2.077 -8.412 1.00 0.00 C ATOM 1142 CZ PHE A 75 -7.764 1.294 -7.517 1.00 0.00 C ATOM 0 H PHE A 75 -3.101 5.663 -5.274 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.511 5.594 -6.803 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.749 3.807 -6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.197 3.413 -5.114 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.205 2.165 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.417 3.498 -8.626 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.038 0.721 -5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.250 2.051 -9.468 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.563 0.666 -7.882 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.844 5.053 -3.557 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.861 5.026 -2.478 1.00 0.00 C ATOM 1154 C VAL A 76 -7.571 6.380 -2.400 1.00 0.00 C ATOM 1155 O VAL A 76 -8.775 6.451 -2.261 1.00 0.00 O ATOM 1156 CB VAL A 76 -6.168 4.732 -1.150 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -7.157 4.935 -0.008 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.672 3.285 -1.143 1.00 0.00 C ATOM 0 H VAL A 76 -4.879 4.942 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.598 4.251 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.321 5.407 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.664 4.726 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.512 5.966 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.003 4.259 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.177 3.075 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.518 2.610 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.967 3.138 -1.961 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.834 7.454 -2.488 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.461 8.799 -2.418 1.00 0.00 C ATOM 1170 C VAL A 77 -8.455 8.969 -3.569 1.00 0.00 C ATOM 1171 O VAL A 77 -9.524 9.522 -3.406 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.366 9.859 -2.527 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -7.006 11.228 -2.725 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.535 9.867 -1.242 1.00 0.00 C ATOM 0 H VAL A 77 -5.821 7.455 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.992 8.908 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.721 9.631 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.227 11.986 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.600 11.223 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.649 11.455 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.753 10.623 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.179 10.096 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.079 8.887 -1.097 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.102 8.506 -4.735 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.010 8.645 -5.908 1.00 0.00 C ATOM 1186 C GLY A 78 -10.336 7.916 -5.664 1.00 0.00 C ATOM 1187 O GLY A 78 -11.365 8.308 -6.179 1.00 0.00 O ATOM 0 H GLY A 78 -7.218 8.034 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.201 9.700 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.526 8.240 -6.797 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.327 6.850 -4.904 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.598 6.101 -4.665 1.00 0.00 C ATOM 1193 C ALA A 79 -12.140 6.394 -3.265 1.00 0.00 C ATOM 1194 O ALA A 79 -13.305 6.696 -3.096 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.330 4.601 -4.798 1.00 0.00 C ATOM 0 H ALA A 79 -9.502 6.468 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.337 6.418 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.254 4.050 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.961 4.385 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.584 4.298 -4.064 1.00 0.00 H new ATOM 1201 N THR A 80 -11.309 6.309 -2.266 1.00 0.00 N ATOM 1202 CA THR A 80 -11.776 6.582 -0.876 1.00 0.00 C ATOM 1203 C THR A 80 -10.848 7.605 -0.228 1.00 0.00 C ATOM 1204 O THR A 80 -9.704 7.736 -0.605 1.00 0.00 O ATOM 1205 CB THR A 80 -11.753 5.284 -0.065 1.00 0.00 C ATOM 1206 OG1 THR A 80 -10.410 4.957 0.262 1.00 0.00 O ATOM 1207 CG2 THR A 80 -12.370 4.154 -0.889 1.00 0.00 C ATOM 0 H THR A 80 -10.323 6.062 -2.350 1.00 0.00 H new ATOM 0 HA THR A 80 -12.793 6.973 -0.901 1.00 0.00 H new ATOM 0 HB THR A 80 -12.329 5.417 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.393 4.127 0.783 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.353 3.230 -0.310 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.400 4.407 -1.139 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.797 4.018 -1.806 1.00 0.00 H new ATOM 1215 N THR A 81 -11.324 8.329 0.745 1.00 0.00 N ATOM 1216 CA THR A 81 -10.453 9.337 1.405 1.00 0.00 C ATOM 1217 C THR A 81 -10.684 9.309 2.922 1.00 0.00 C ATOM 1218 O THR A 81 -11.507 10.035 3.441 1.00 0.00 O ATOM 1219 CB THR A 81 -10.798 10.723 0.857 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.917 11.686 1.416 1.00 0.00 O ATOM 1221 CG2 THR A 81 -12.241 11.075 1.221 1.00 0.00 C ATOM 0 H THR A 81 -12.274 8.266 1.110 1.00 0.00 H new ATOM 0 HA THR A 81 -9.407 9.109 1.202 1.00 0.00 H new ATOM 0 HB THR A 81 -10.691 10.720 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.132 11.233 1.790 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.484 12.063 0.830 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.916 10.337 0.788 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.353 11.077 2.305 1.00 0.00 H new ATOM 1229 N PRO A 82 -9.948 8.486 3.628 1.00 0.00 N ATOM 1230 CA PRO A 82 -10.062 8.373 5.113 1.00 0.00 C ATOM 1231 C PRO A 82 -9.627 9.665 5.815 1.00 0.00 C ATOM 1232 O PRO A 82 -9.306 10.645 5.174 1.00 0.00 O ATOM 1233 CB PRO A 82 -9.117 7.224 5.486 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.765 6.538 4.206 1.00 0.00 C ATOM 1235 CD PRO A 82 -8.937 7.566 3.093 1.00 0.00 C ATOM 0 HA PRO A 82 -11.092 8.195 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.223 7.601 5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -9.599 6.533 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.740 6.168 4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.411 5.676 4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -8.002 8.081 2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.269 7.101 2.165 1.00 0.00 H new ATOM 1243 N PRO A 83 -9.611 9.664 7.123 1.00 0.00 N ATOM 1244 CA PRO A 83 -9.199 10.856 7.920 1.00 0.00 C ATOM 1245 C PRO A 83 -7.774 11.296 7.577 1.00 0.00 C ATOM 1246 O PRO A 83 -6.946 10.496 7.189 1.00 0.00 O ATOM 1247 CB PRO A 83 -9.278 10.387 9.376 1.00 0.00 C ATOM 1248 CG PRO A 83 -10.142 9.168 9.364 1.00 0.00 C ATOM 1249 CD PRO A 83 -9.982 8.532 7.985 1.00 0.00 C ATOM 0 HA PRO A 83 -9.835 11.718 7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.287 10.160 9.768 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.703 11.162 10.014 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.842 8.473 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.183 9.430 9.551 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.212 7.760 7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.906 8.060 7.651 1.00 0.00 H new ATOM 1257 N VAL A 84 -7.481 12.561 7.703 1.00 0.00 N ATOM 1258 CA VAL A 84 -6.110 13.037 7.367 1.00 0.00 C ATOM 1259 C VAL A 84 -5.220 12.973 8.609 1.00 0.00 C ATOM 1260 O VAL A 84 -5.560 13.480 9.660 1.00 0.00 O ATOM 1261 CB VAL A 84 -6.184 14.482 6.869 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -4.793 14.943 6.428 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -7.147 14.561 5.682 1.00 0.00 C ATOM 0 H VAL A 84 -8.128 13.282 8.022 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.688 12.401 6.589 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.541 15.126 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.846 15.972 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.106 14.885 7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.435 14.300 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.201 15.590 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.788 13.917 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.138 14.233 5.995 1.00 0.00 H new ATOM 1273 N GLU A 85 -4.078 12.354 8.491 1.00 0.00 N ATOM 1274 CA GLU A 85 -3.152 12.251 9.650 1.00 0.00 C ATOM 1275 C GLU A 85 -1.718 12.484 9.168 1.00 0.00 C ATOM 1276 O GLU A 85 -1.366 12.138 8.058 1.00 0.00 O ATOM 1277 CB GLU A 85 -3.263 10.857 10.271 1.00 0.00 C ATOM 1278 CG GLU A 85 -2.415 10.795 11.544 1.00 0.00 C ATOM 1279 CD GLU A 85 -2.445 9.375 12.109 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -1.836 9.157 13.144 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -3.076 8.528 11.498 1.00 0.00 O ATOM 0 H GLU A 85 -3.746 11.912 7.634 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.414 13.000 10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.304 10.633 10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.926 10.103 9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.389 11.089 11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.797 11.500 12.283 1.00 0.00 H new ATOM 1288 N ALA A 86 -0.887 13.066 9.986 1.00 0.00 N ATOM 1289 CA ALA A 86 0.518 13.312 9.557 1.00 0.00 C ATOM 1290 C ALA A 86 1.168 11.981 9.174 1.00 0.00 C ATOM 1291 O ALA A 86 0.971 10.974 9.826 1.00 0.00 O ATOM 1292 CB ALA A 86 1.300 13.950 10.708 1.00 0.00 C ATOM 0 H ALA A 86 -1.118 13.381 10.928 1.00 0.00 H new ATOM 0 HA ALA A 86 0.526 13.984 8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.328 14.130 10.394 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.834 14.896 10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.295 13.279 11.567 1.00 0.00 H new ATOM 1298 N LYS A 87 1.938 11.965 8.121 1.00 0.00 N ATOM 1299 CA LYS A 87 2.595 10.697 7.697 1.00 0.00 C ATOM 1300 C LYS A 87 3.486 10.182 8.830 1.00 0.00 C ATOM 1301 O LYS A 87 3.591 8.994 9.058 1.00 0.00 O ATOM 1302 CB LYS A 87 3.445 10.951 6.450 1.00 0.00 C ATOM 1303 CG LYS A 87 3.966 9.618 5.908 1.00 0.00 C ATOM 1304 CD LYS A 87 4.851 9.873 4.686 1.00 0.00 C ATOM 1305 CE LYS A 87 5.190 8.540 4.014 1.00 0.00 C ATOM 1306 NZ LYS A 87 3.991 8.028 3.292 1.00 0.00 N ATOM 0 H LYS A 87 2.141 12.776 7.536 1.00 0.00 H new ATOM 0 HA LYS A 87 1.833 9.952 7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.851 11.458 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.280 11.608 6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.534 9.097 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.131 8.972 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.337 10.527 3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.766 10.384 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.018 8.672 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.514 7.816 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.283 7.309 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.330 7.604 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.522 8.814 2.798 1.00 0.00 H new ATOM 1320 N LEU A 88 4.129 11.069 9.540 1.00 0.00 N ATOM 1321 CA LEU A 88 5.012 10.629 10.657 1.00 0.00 C ATOM 1322 C LEU A 88 4.215 10.618 11.963 1.00 0.00 C ATOM 1323 O LEU A 88 3.386 11.474 12.203 1.00 0.00 O ATOM 1324 CB LEU A 88 6.189 11.600 10.787 1.00 0.00 C ATOM 1325 CG LEU A 88 6.911 11.715 9.443 1.00 0.00 C ATOM 1326 CD1 LEU A 88 8.147 12.600 9.601 1.00 0.00 C ATOM 1327 CD2 LEU A 88 7.339 10.322 8.975 1.00 0.00 C ATOM 0 H LEU A 88 4.081 12.078 9.395 1.00 0.00 H new ATOM 0 HA LEU A 88 5.387 9.626 10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.832 12.580 11.104 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.880 11.249 11.553 1.00 0.00 H new ATOM 0 HG LEU A 88 6.240 12.157 8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.661 12.682 8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.844 13.592 9.936 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.819 12.158 10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.854 10.402 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.010 9.881 9.712 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.458 9.690 8.862 1.00 0.00 H new ATOM 1339 N GLN A 89 4.457 9.655 12.809 1.00 0.00 N ATOM 1340 CA GLN A 89 3.713 9.589 14.098 1.00 0.00 C ATOM 1341 C GLN A 89 4.439 10.430 15.150 1.00 0.00 C ATOM 1342 O GLN A 89 3.769 11.154 15.866 1.00 0.00 O ATOM 1343 CB GLN A 89 3.636 8.136 14.569 1.00 0.00 C ATOM 1344 CG GLN A 89 2.762 8.050 15.822 1.00 0.00 C ATOM 1345 CD GLN A 89 2.661 6.592 16.275 1.00 0.00 C ATOM 1346 OE1 GLN A 89 3.113 5.698 15.588 1.00 0.00 O ATOM 1347 NE2 GLN A 89 2.081 6.314 17.411 1.00 0.00 N ATOM 1348 OXT GLN A 89 5.653 10.334 15.222 1.00 0.00 O ATOM 0 H GLN A 89 5.139 8.910 12.663 1.00 0.00 H new ATOM 0 HA GLN A 89 2.705 9.978 13.956 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.221 7.509 13.780 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.636 7.759 14.784 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.188 8.661 16.618 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.768 8.447 15.613 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.702 7.065 17.987 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.007 5.345 17.722 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 3.882 -6.460 -13.298 1.00 0.00 O HETATM 1359 O4 PN7 A 101 1.470 -7.030 -10.774 1.00 0.00 O HETATM 1360 C2 PN7 A 101 4.349 -6.977 -10.993 1.00 0.00 C HETATM 1361 C1 PN7 A 101 4.197 -8.139 -10.006 1.00 0.00 C HETATM 1362 P PN7 A 101 3.968 -10.576 -9.782 1.00 0.00 P HETATM 1363 O1P PN7 A 101 4.569 -11.837 -10.270 1.00 0.00 O HETATM 1364 O2P PN7 A 101 2.495 -10.431 -9.738 1.00 0.00 O HETATM 1365 O3P PN7 A 101 4.572 -9.361 -10.651 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 5.794 -6.923 -11.494 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 4.002 -5.660 -10.294 1.00 0.00 C HETATM 1368 C3 PN7 A 101 3.405 -7.192 -12.176 1.00 0.00 C HETATM 1369 C4 PN7 A 101 2.005 -6.697 -11.813 1.00 0.00 C HETATM 1370 N5 PN7 A 101 1.391 -5.937 -12.678 1.00 0.00 N HETATM 1371 C6 PN7 A 101 1.080 -6.458 -14.039 1.00 0.00 C HETATM 1372 C7 PN7 A 101 -0.276 -7.167 -14.017 1.00 0.00 C HETATM 1373 C8 PN7 A 101 -0.148 -8.536 -14.686 1.00 0.00 C HETATM 1374 O8 PN7 A 101 -0.250 -8.660 -15.890 1.00 0.00 O HETATM 1375 N9 PN7 A 101 0.088 -9.564 -13.917 1.00 0.00 N HETATM 1376 C10 PN7 A 101 -0.320 -10.928 -14.353 1.00 0.00 C HETATM 1377 C11 PN7 A 101 -1.830 -10.956 -14.594 1.00 0.00 C HETATM 1378 S12 PN7 A 101 -2.288 -12.525 -15.373 1.00 0.00 S