USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -0.0681 (180deg=-0.741) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= -0.0496 (180deg=-0.434) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.252 USER MOD Single : A 50 ASN : amide:sc= -1.56! C(o=-1.6!,f=-7!) USER MOD Single : A 51 THR OG1 : rot 54:sc= 0.87 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 CYS SG : rot -170:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -57:sc= -0.789 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 64:sc= 0.372 USER MOD Single : A 75 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.27) USER MOD Single : A 77 THR OG1 : rot -55:sc= 0.927 USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= 0.0857 (180deg=-0.481) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0345 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 6.241 35.069 0.624 1.00 0.00 N ATOM 2 CA HIS A 8 6.114 34.971 -0.857 1.00 0.00 C ATOM 3 C HIS A 8 4.643 35.115 -1.252 1.00 0.00 C ATOM 4 O HIS A 8 4.178 36.191 -1.571 1.00 0.00 O ATOM 5 CB HIS A 8 6.638 33.612 -1.326 1.00 0.00 C ATOM 6 CG HIS A 8 8.126 33.691 -1.530 1.00 0.00 C ATOM 7 ND1 HIS A 8 9.026 33.194 -0.600 1.00 0.00 N ATOM 8 CD2 HIS A 8 8.887 34.206 -2.551 1.00 0.00 C ATOM 9 CE1 HIS A 8 10.265 33.419 -1.076 1.00 0.00 C ATOM 10 NE2 HIS A 8 10.237 34.033 -2.262 1.00 0.00 N ATOM 0 HA HIS A 8 6.696 35.765 -1.325 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.402 32.845 -0.588 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.148 33.322 -2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.497 34.674 -3.443 1.00 0.00 H new ATOM 0 HE1 HIS A 8 11.172 33.137 -0.561 1.00 0.00 H new ATOM 0 HE2 HIS A 8 11.034 34.314 -2.833 1.00 0.00 H new ATOM 20 N MET A 9 3.906 34.038 -1.233 1.00 0.00 N ATOM 21 CA MET A 9 2.466 34.114 -1.608 1.00 0.00 C ATOM 22 C MET A 9 1.608 33.630 -0.437 1.00 0.00 C ATOM 23 O MET A 9 0.682 32.863 -0.609 1.00 0.00 O ATOM 24 CB MET A 9 2.209 33.229 -2.829 1.00 0.00 C ATOM 25 CG MET A 9 1.795 34.102 -4.015 1.00 0.00 C ATOM 26 SD MET A 9 2.005 33.171 -5.553 1.00 0.00 S ATOM 27 CE MET A 9 3.714 33.666 -5.884 1.00 0.00 C ATOM 0 H MET A 9 4.239 33.109 -0.974 1.00 0.00 H new ATOM 0 HA MET A 9 2.207 35.145 -1.847 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.107 32.663 -3.077 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.426 32.504 -2.607 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.756 34.414 -3.905 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.399 35.009 -4.041 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.056 33.198 -6.807 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.766 34.750 -5.986 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.351 33.349 -5.058 1.00 0.00 H new ATOM 37 N VAL A 10 1.910 34.072 0.754 1.00 0.00 N ATOM 38 CA VAL A 10 1.111 33.636 1.933 1.00 0.00 C ATOM 39 C VAL A 10 1.585 34.386 3.179 1.00 0.00 C ATOM 40 O VAL A 10 0.805 34.721 4.047 1.00 0.00 O ATOM 41 CB VAL A 10 1.296 32.132 2.145 1.00 0.00 C ATOM 42 CG1 VAL A 10 2.760 31.839 2.477 1.00 0.00 C ATOM 43 CG2 VAL A 10 0.410 31.670 3.305 1.00 0.00 C ATOM 0 H VAL A 10 2.674 34.715 0.960 1.00 0.00 H new ATOM 0 HA VAL A 10 0.058 33.854 1.757 1.00 0.00 H new ATOM 0 HB VAL A 10 1.016 31.600 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.891 30.768 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.393 32.170 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.040 32.371 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.540 30.599 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.692 32.203 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.634 31.879 3.071 1.00 0.00 H new ATOM 53 N GLU A 11 2.859 34.652 3.274 1.00 0.00 N ATOM 54 CA GLU A 11 3.381 35.378 4.464 1.00 0.00 C ATOM 55 C GLU A 11 3.110 34.552 5.723 1.00 0.00 C ATOM 56 O GLU A 11 2.226 33.718 5.750 1.00 0.00 O ATOM 57 CB GLU A 11 2.681 36.734 4.584 1.00 0.00 C ATOM 58 CG GLU A 11 3.613 37.837 4.076 1.00 0.00 C ATOM 59 CD GLU A 11 2.914 38.627 2.969 1.00 0.00 C ATOM 60 OE1 GLU A 11 2.724 38.071 1.900 1.00 0.00 O ATOM 61 OE2 GLU A 11 2.581 39.777 3.209 1.00 0.00 O ATOM 0 H GLU A 11 3.560 34.398 2.578 1.00 0.00 H new ATOM 0 HA GLU A 11 4.454 35.532 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.756 36.730 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.408 36.924 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.886 38.502 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.537 37.401 3.698 1.00 0.00 H new ATOM 68 N GLU A 12 3.862 34.774 6.765 1.00 0.00 N ATOM 69 CA GLU A 12 3.645 33.997 8.018 1.00 0.00 C ATOM 70 C GLU A 12 3.944 32.520 7.760 1.00 0.00 C ATOM 71 O GLU A 12 3.169 31.820 7.139 1.00 0.00 O ATOM 72 CB GLU A 12 2.190 34.152 8.469 1.00 0.00 C ATOM 73 CG GLU A 12 2.098 33.932 9.980 1.00 0.00 C ATOM 74 CD GLU A 12 1.110 34.932 10.583 1.00 0.00 C ATOM 75 OE1 GLU A 12 -0.049 34.888 10.207 1.00 0.00 O ATOM 76 OE2 GLU A 12 1.530 35.725 11.408 1.00 0.00 O ATOM 0 H GLU A 12 4.617 35.459 6.803 1.00 0.00 H new ATOM 0 HA GLU A 12 4.309 34.371 8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.822 35.146 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.558 33.434 7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.774 32.913 10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.080 34.055 10.436 1.00 0.00 H new ATOM 83 N VAL A 13 5.060 32.039 8.233 1.00 0.00 N ATOM 84 CA VAL A 13 5.406 30.606 8.015 1.00 0.00 C ATOM 85 C VAL A 13 5.654 29.931 9.365 1.00 0.00 C ATOM 86 O VAL A 13 5.853 30.585 10.369 1.00 0.00 O ATOM 87 CB VAL A 13 6.668 30.511 7.157 1.00 0.00 C ATOM 88 CG1 VAL A 13 6.380 31.067 5.761 1.00 0.00 C ATOM 89 CG2 VAL A 13 7.789 31.325 7.808 1.00 0.00 C ATOM 0 H VAL A 13 5.748 32.576 8.761 1.00 0.00 H new ATOM 0 HA VAL A 13 4.582 30.106 7.505 1.00 0.00 H new ATOM 0 HB VAL A 13 6.974 29.468 7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.280 30.999 5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.581 30.489 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.073 32.110 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.689 31.258 7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.482 32.368 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.995 30.930 8.803 1.00 0.00 H new ATOM 99 N LEU A 14 5.641 28.626 9.399 1.00 0.00 N ATOM 100 CA LEU A 14 5.874 27.913 10.686 1.00 0.00 C ATOM 101 C LEU A 14 7.035 26.931 10.525 1.00 0.00 C ATOM 102 O LEU A 14 7.249 26.374 9.466 1.00 0.00 O ATOM 103 CB LEU A 14 4.610 27.146 11.082 1.00 0.00 C ATOM 104 CG LEU A 14 3.439 28.121 11.204 1.00 0.00 C ATOM 105 CD1 LEU A 14 2.121 27.360 11.047 1.00 0.00 C ATOM 106 CD2 LEU A 14 3.477 28.792 12.579 1.00 0.00 C ATOM 0 H LEU A 14 5.479 28.024 8.592 1.00 0.00 H new ATOM 0 HA LEU A 14 6.117 28.639 11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.386 26.383 10.336 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.767 26.629 12.029 1.00 0.00 H new ATOM 0 HG LEU A 14 3.516 28.879 10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.287 28.056 11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.092 26.880 10.069 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.044 26.602 11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.643 29.488 12.668 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.400 28.032 13.357 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.415 29.335 12.693 1.00 0.00 H new ATOM 118 N GLU A 15 7.789 26.712 11.568 1.00 0.00 N ATOM 119 CA GLU A 15 8.935 25.765 11.476 1.00 0.00 C ATOM 120 C GLU A 15 8.540 24.422 12.097 1.00 0.00 C ATOM 121 O GLU A 15 9.341 23.514 12.195 1.00 0.00 O ATOM 122 CB GLU A 15 10.135 26.340 12.229 1.00 0.00 C ATOM 123 CG GLU A 15 11.289 26.573 11.252 1.00 0.00 C ATOM 124 CD GLU A 15 11.876 27.968 11.476 1.00 0.00 C ATOM 125 OE1 GLU A 15 11.106 28.911 11.530 1.00 0.00 O ATOM 126 OE2 GLU A 15 13.088 28.069 11.588 1.00 0.00 O ATOM 0 H GLU A 15 7.660 27.149 12.481 1.00 0.00 H new ATOM 0 HA GLU A 15 9.200 25.618 10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.859 27.277 12.712 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.445 25.654 13.017 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.060 25.816 11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.935 26.477 10.226 1.00 0.00 H new ATOM 133 N GLU A 16 7.311 24.288 12.517 1.00 0.00 N ATOM 134 CA GLU A 16 6.868 23.005 13.131 1.00 0.00 C ATOM 135 C GLU A 16 6.338 22.074 12.039 1.00 0.00 C ATOM 136 O GLU A 16 5.155 21.820 11.946 1.00 0.00 O ATOM 137 CB GLU A 16 5.757 23.281 14.146 1.00 0.00 C ATOM 138 CG GLU A 16 5.655 22.109 15.124 1.00 0.00 C ATOM 139 CD GLU A 16 4.750 22.498 16.295 1.00 0.00 C ATOM 140 OE1 GLU A 16 4.535 23.685 16.482 1.00 0.00 O ATOM 141 OE2 GLU A 16 4.290 21.604 16.986 1.00 0.00 O ATOM 0 H GLU A 16 6.595 25.012 12.461 1.00 0.00 H new ATOM 0 HA GLU A 16 7.712 22.534 13.635 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.966 24.203 14.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.807 23.422 13.631 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.254 21.232 14.616 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.646 21.840 15.490 1.00 0.00 H new ATOM 148 N GLU A 17 7.206 21.564 11.208 1.00 0.00 N ATOM 149 CA GLU A 17 6.750 20.650 10.123 1.00 0.00 C ATOM 150 C GLU A 17 7.713 19.466 10.015 1.00 0.00 C ATOM 151 O GLU A 17 8.907 19.634 9.872 1.00 0.00 O ATOM 152 CB GLU A 17 6.724 21.410 8.795 1.00 0.00 C ATOM 153 CG GLU A 17 5.926 20.611 7.764 1.00 0.00 C ATOM 154 CD GLU A 17 5.607 21.502 6.563 1.00 0.00 C ATOM 155 OE1 GLU A 17 4.644 22.248 6.643 1.00 0.00 O ATOM 156 OE2 GLU A 17 6.330 21.425 5.584 1.00 0.00 O ATOM 0 H GLU A 17 8.210 21.741 11.234 1.00 0.00 H new ATOM 0 HA GLU A 17 5.749 20.284 10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.275 22.393 8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.741 21.572 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.497 19.740 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.003 20.240 8.210 1.00 0.00 H new ATOM 163 N GLU A 18 7.201 18.267 10.080 1.00 0.00 N ATOM 164 CA GLU A 18 8.086 17.073 9.981 1.00 0.00 C ATOM 165 C GLU A 18 7.972 16.470 8.579 1.00 0.00 C ATOM 166 O GLU A 18 6.891 16.327 8.042 1.00 0.00 O ATOM 167 CB GLU A 18 7.661 16.033 11.019 1.00 0.00 C ATOM 168 CG GLU A 18 8.402 16.289 12.334 1.00 0.00 C ATOM 169 CD GLU A 18 8.143 15.132 13.299 1.00 0.00 C ATOM 170 OE1 GLU A 18 7.112 14.494 13.166 1.00 0.00 O ATOM 171 OE2 GLU A 18 8.982 14.902 14.156 1.00 0.00 O ATOM 0 H GLU A 18 6.208 18.063 10.197 1.00 0.00 H new ATOM 0 HA GLU A 18 9.118 17.370 10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.584 16.084 11.180 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.881 15.030 10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.471 16.389 12.148 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.067 17.227 12.776 1.00 0.00 H new ATOM 178 N GLU A 19 9.076 16.116 7.982 1.00 0.00 N ATOM 179 CA GLU A 19 9.028 15.524 6.616 1.00 0.00 C ATOM 180 C GLU A 19 10.205 14.563 6.434 1.00 0.00 C ATOM 181 O GLU A 19 10.718 14.007 7.383 1.00 0.00 O ATOM 182 CB GLU A 19 9.111 16.641 5.574 1.00 0.00 C ATOM 183 CG GLU A 19 8.107 17.741 5.926 1.00 0.00 C ATOM 184 CD GLU A 19 7.943 18.682 4.732 1.00 0.00 C ATOM 185 OE1 GLU A 19 8.939 19.237 4.298 1.00 0.00 O ATOM 186 OE2 GLU A 19 6.824 18.833 4.271 1.00 0.00 O ATOM 0 H GLU A 19 10.010 16.211 8.381 1.00 0.00 H new ATOM 0 HA GLU A 19 8.093 14.978 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.121 17.051 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.899 16.244 4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.146 17.300 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.452 18.298 6.797 1.00 0.00 H new ATOM 193 N GLU A 20 10.636 14.362 5.217 1.00 0.00 N ATOM 194 CA GLU A 20 11.779 13.436 4.974 1.00 0.00 C ATOM 195 C GLU A 20 11.348 12.004 5.295 1.00 0.00 C ATOM 196 O GLU A 20 10.665 11.753 6.269 1.00 0.00 O ATOM 197 CB GLU A 20 12.953 13.829 5.872 1.00 0.00 C ATOM 198 CG GLU A 20 14.240 13.860 5.043 1.00 0.00 C ATOM 199 CD GLU A 20 15.437 13.559 5.946 1.00 0.00 C ATOM 200 OE1 GLU A 20 15.300 13.710 7.149 1.00 0.00 O ATOM 201 OE2 GLU A 20 16.471 13.182 5.420 1.00 0.00 O ATOM 0 H GLU A 20 10.246 14.799 4.382 1.00 0.00 H new ATOM 0 HA GLU A 20 12.084 13.499 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.772 14.806 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.052 13.117 6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.185 13.127 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.360 14.837 4.576 1.00 0.00 H new ATOM 208 N TYR A 21 11.739 11.060 4.483 1.00 0.00 N ATOM 209 CA TYR A 21 11.350 9.645 4.742 1.00 0.00 C ATOM 210 C TYR A 21 9.861 9.584 5.090 1.00 0.00 C ATOM 211 O TYR A 21 9.489 9.408 6.233 1.00 0.00 O ATOM 212 CB TYR A 21 12.168 9.095 5.913 1.00 0.00 C ATOM 213 CG TYR A 21 13.640 9.231 5.607 1.00 0.00 C ATOM 214 CD1 TYR A 21 14.140 8.811 4.368 1.00 0.00 C ATOM 215 CD2 TYR A 21 14.507 9.776 6.564 1.00 0.00 C ATOM 216 CE1 TYR A 21 15.507 8.937 4.084 1.00 0.00 C ATOM 217 CE2 TYR A 21 15.873 9.903 6.280 1.00 0.00 C ATOM 218 CZ TYR A 21 16.374 9.483 5.041 1.00 0.00 C ATOM 219 OH TYR A 21 17.719 9.608 4.761 1.00 0.00 O ATOM 0 H TYR A 21 12.311 11.208 3.651 1.00 0.00 H new ATOM 0 HA TYR A 21 11.543 9.046 3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 21 11.924 9.637 6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.917 8.049 6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.472 8.390 3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 21 14.122 10.098 7.520 1.00 0.00 H new ATOM 0 HE1 TYR A 21 15.892 8.614 3.128 1.00 0.00 H new ATOM 0 HE2 TYR A 21 16.540 10.325 7.017 1.00 0.00 H new ATOM 0 HH TYR A 21 18.178 10.006 5.530 1.00 0.00 H new ATOM 229 N VAL A 22 9.006 9.727 4.115 1.00 0.00 N ATOM 230 CA VAL A 22 7.544 9.678 4.395 1.00 0.00 C ATOM 231 C VAL A 22 6.845 8.834 3.328 1.00 0.00 C ATOM 232 O VAL A 22 7.403 8.544 2.288 1.00 0.00 O ATOM 233 CB VAL A 22 6.970 11.097 4.377 1.00 0.00 C ATOM 234 CG1 VAL A 22 5.753 11.167 5.303 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.032 12.087 4.861 1.00 0.00 C ATOM 0 H VAL A 22 9.257 9.876 3.137 1.00 0.00 H new ATOM 0 HA VAL A 22 7.380 9.232 5.376 1.00 0.00 H new ATOM 0 HB VAL A 22 6.671 11.352 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.344 12.177 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.994 10.464 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.053 10.910 6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.621 13.097 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.332 11.831 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.900 12.040 4.204 1.00 0.00 H new ATOM 245 N VAL A 23 5.626 8.443 3.575 1.00 0.00 N ATOM 246 CA VAL A 23 4.889 7.624 2.580 1.00 0.00 C ATOM 247 C VAL A 23 4.121 8.553 1.643 1.00 0.00 C ATOM 248 O VAL A 23 3.362 9.397 2.077 1.00 0.00 O ATOM 249 CB VAL A 23 3.907 6.705 3.307 1.00 0.00 C ATOM 250 CG1 VAL A 23 4.664 5.521 3.910 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.206 7.483 4.422 1.00 0.00 C ATOM 0 H VAL A 23 5.109 8.658 4.427 1.00 0.00 H new ATOM 0 HA VAL A 23 5.590 7.020 2.005 1.00 0.00 H new ATOM 0 HB VAL A 23 3.164 6.338 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.963 4.867 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.161 4.964 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.409 5.887 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.506 6.827 4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.948 7.852 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.663 8.325 3.992 1.00 0.00 H new ATOM 261 N GLU A 24 4.314 8.413 0.362 1.00 0.00 N ATOM 262 CA GLU A 24 3.592 9.300 -0.591 1.00 0.00 C ATOM 263 C GLU A 24 2.275 8.640 -1.008 1.00 0.00 C ATOM 264 O GLU A 24 1.331 9.303 -1.385 1.00 0.00 O ATOM 265 CB GLU A 24 4.461 9.534 -1.829 1.00 0.00 C ATOM 266 CG GLU A 24 3.747 10.493 -2.781 1.00 0.00 C ATOM 267 CD GLU A 24 4.464 10.501 -4.132 1.00 0.00 C ATOM 268 OE1 GLU A 24 5.645 10.194 -4.156 1.00 0.00 O ATOM 269 OE2 GLU A 24 3.819 10.812 -5.120 1.00 0.00 O ATOM 0 H GLU A 24 4.937 7.727 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 24 3.382 10.255 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.426 9.948 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.659 8.587 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.709 10.187 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.733 11.498 -2.359 1.00 0.00 H new ATOM 276 N LYS A 25 2.208 7.339 -0.941 1.00 0.00 N ATOM 277 CA LYS A 25 0.955 6.632 -1.331 1.00 0.00 C ATOM 278 C LYS A 25 1.266 5.155 -1.571 1.00 0.00 C ATOM 279 O LYS A 25 2.399 4.729 -1.475 1.00 0.00 O ATOM 280 CB LYS A 25 0.393 7.251 -2.613 1.00 0.00 C ATOM 281 CG LYS A 25 -0.872 8.045 -2.285 1.00 0.00 C ATOM 282 CD LYS A 25 -0.983 9.245 -3.228 1.00 0.00 C ATOM 283 CE LYS A 25 -0.999 8.756 -4.677 1.00 0.00 C ATOM 284 NZ LYS A 25 -2.084 7.748 -4.849 1.00 0.00 N ATOM 0 H LYS A 25 2.969 6.733 -0.632 1.00 0.00 H new ATOM 0 HA LYS A 25 0.218 6.727 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.136 7.904 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.167 6.469 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.750 7.407 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.842 8.385 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.892 9.807 -3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.144 9.923 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.157 9.596 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.035 8.316 -4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.476 7.821 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.697 6.794 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.836 7.926 -4.153 1.00 0.00 H new ATOM 298 N VAL A 26 0.273 4.369 -1.884 1.00 0.00 N ATOM 299 CA VAL A 26 0.524 2.919 -2.128 1.00 0.00 C ATOM 300 C VAL A 26 0.794 2.699 -3.618 1.00 0.00 C ATOM 301 O VAL A 26 1.157 3.612 -4.333 1.00 0.00 O ATOM 302 CB VAL A 26 -0.698 2.091 -1.709 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.230 0.809 -1.018 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.568 2.894 -0.738 1.00 0.00 C ATOM 0 H VAL A 26 -0.698 4.666 -1.981 1.00 0.00 H new ATOM 0 HA VAL A 26 1.386 2.603 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.281 1.844 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.097 0.219 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.384 0.228 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.356 1.065 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.433 2.298 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.986 3.147 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.905 3.810 -1.224 1.00 0.00 H new ATOM 314 N LEU A 27 0.620 1.497 -4.090 1.00 0.00 N ATOM 315 CA LEU A 27 0.868 1.223 -5.533 1.00 0.00 C ATOM 316 C LEU A 27 0.355 -0.175 -5.884 1.00 0.00 C ATOM 317 O LEU A 27 -0.137 -0.410 -6.969 1.00 0.00 O ATOM 318 CB LEU A 27 2.369 1.305 -5.819 1.00 0.00 C ATOM 319 CG LEU A 27 2.681 2.624 -6.525 1.00 0.00 C ATOM 320 CD1 LEU A 27 3.875 3.298 -5.845 1.00 0.00 C ATOM 321 CD2 LEU A 27 3.020 2.349 -7.991 1.00 0.00 C ATOM 0 H LEU A 27 0.317 0.693 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 27 0.344 1.963 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.932 1.236 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.678 0.465 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 27 1.812 3.280 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.097 4.239 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.636 3.494 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.744 2.642 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.243 3.289 -8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.889 1.693 -8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.171 1.869 -8.477 1.00 0.00 H new ATOM 333 N ASP A 28 0.466 -1.106 -4.976 1.00 0.00 N ATOM 334 CA ASP A 28 -0.018 -2.485 -5.267 1.00 0.00 C ATOM 335 C ASP A 28 -0.152 -3.270 -3.960 1.00 0.00 C ATOM 336 O ASP A 28 0.072 -2.749 -2.886 1.00 0.00 O ATOM 337 CB ASP A 28 0.980 -3.194 -6.186 1.00 0.00 C ATOM 338 CG ASP A 28 0.221 -3.966 -7.266 1.00 0.00 C ATOM 339 OD1 ASP A 28 -0.547 -3.345 -7.982 1.00 0.00 O ATOM 340 OD2 ASP A 28 0.421 -5.166 -7.358 1.00 0.00 O ATOM 0 H ASP A 28 0.869 -0.972 -4.049 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.990 -2.430 -5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.647 -2.465 -6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.603 -3.876 -5.607 1.00 0.00 H new ATOM 345 N ARG A 29 -0.517 -4.519 -4.046 1.00 0.00 N ATOM 346 CA ARG A 29 -0.666 -5.340 -2.812 1.00 0.00 C ATOM 347 C ARG A 29 -0.464 -6.817 -3.157 1.00 0.00 C ATOM 348 O ARG A 29 -0.829 -7.270 -4.223 1.00 0.00 O ATOM 349 CB ARG A 29 -2.069 -5.138 -2.232 1.00 0.00 C ATOM 350 CG ARG A 29 -2.301 -6.137 -1.096 1.00 0.00 C ATOM 351 CD ARG A 29 -3.728 -5.983 -0.567 1.00 0.00 C ATOM 352 NE ARG A 29 -4.362 -7.327 -0.448 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.592 -7.433 -0.027 1.00 0.00 C ATOM 354 NH1 ARG A 29 -6.160 -6.431 0.588 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.254 -8.541 -0.219 1.00 0.00 N ATOM 0 H ARG A 29 -0.719 -5.007 -4.919 1.00 0.00 H new ATOM 0 HA ARG A 29 0.078 -5.033 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.178 -4.119 -1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.819 -5.276 -3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.142 -7.154 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.583 -5.965 -0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.716 -5.488 0.404 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.310 -5.353 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.834 -8.164 -0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.642 -5.565 0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.122 -6.514 0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.810 -9.324 -0.698 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.216 -8.624 0.110 1.00 0.00 H new ATOM 369 N ARG A 30 0.118 -7.571 -2.266 1.00 0.00 N ATOM 370 CA ARG A 30 0.344 -9.017 -2.547 1.00 0.00 C ATOM 371 C ARG A 30 0.551 -9.768 -1.230 1.00 0.00 C ATOM 372 O ARG A 30 1.264 -9.320 -0.355 1.00 0.00 O ATOM 373 CB ARG A 30 1.586 -9.176 -3.426 1.00 0.00 C ATOM 374 CG ARG A 30 1.694 -10.626 -3.903 1.00 0.00 C ATOM 375 CD ARG A 30 2.863 -11.311 -3.191 1.00 0.00 C ATOM 376 NE ARG A 30 4.139 -10.648 -3.580 1.00 0.00 N ATOM 377 CZ ARG A 30 5.194 -11.368 -3.847 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.360 -11.866 -5.042 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.085 -11.588 -2.919 1.00 0.00 N ATOM 0 H ARG A 30 0.447 -7.249 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.523 -9.427 -3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.527 -8.504 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.479 -8.899 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.766 -11.158 -3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.844 -10.655 -4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.727 -11.256 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.895 -12.368 -3.455 1.00 0.00 H new ATOM 0 HE ARG A 30 4.188 -9.631 -3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.665 -11.692 -5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.185 -12.429 -5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.956 -11.197 -1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.910 -12.151 -3.127 1.00 0.00 H new ATOM 393 N VAL A 31 -0.067 -10.908 -1.084 1.00 0.00 N ATOM 394 CA VAL A 31 0.092 -11.686 0.176 1.00 0.00 C ATOM 395 C VAL A 31 1.100 -12.817 -0.048 1.00 0.00 C ATOM 396 O VAL A 31 1.216 -13.356 -1.130 1.00 0.00 O ATOM 397 CB VAL A 31 -1.264 -12.273 0.588 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.059 -13.403 1.601 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.116 -11.175 1.226 1.00 0.00 C ATOM 0 H VAL A 31 -0.675 -11.334 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 31 0.456 -11.031 0.968 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.766 -12.668 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.027 -13.814 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.450 -14.188 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.554 -13.012 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.081 -11.588 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.605 -10.783 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.270 -10.370 0.507 1.00 0.00 H new ATOM 409 N VAL A 32 1.826 -13.181 0.973 1.00 0.00 N ATOM 410 CA VAL A 32 2.824 -14.277 0.831 1.00 0.00 C ATOM 411 C VAL A 32 2.469 -15.405 1.799 1.00 0.00 C ATOM 412 O VAL A 32 2.981 -15.469 2.899 1.00 0.00 O ATOM 413 CB VAL A 32 4.217 -13.742 1.162 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.248 -14.860 0.996 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.558 -12.589 0.216 1.00 0.00 C ATOM 0 H VAL A 32 1.770 -12.765 1.903 1.00 0.00 H new ATOM 0 HA VAL A 32 2.814 -14.653 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 32 4.233 -13.385 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.241 -14.477 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.006 -15.681 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.233 -15.219 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.551 -12.207 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.541 -12.946 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.825 -11.791 0.335 1.00 0.00 H new ATOM 425 N LYS A 33 1.591 -16.287 1.403 1.00 0.00 N ATOM 426 CA LYS A 33 1.190 -17.408 2.301 1.00 0.00 C ATOM 427 C LYS A 33 0.165 -16.895 3.321 1.00 0.00 C ATOM 428 O LYS A 33 -0.335 -17.639 4.143 1.00 0.00 O ATOM 429 CB LYS A 33 2.439 -17.975 3.012 1.00 0.00 C ATOM 430 CG LYS A 33 2.543 -17.454 4.455 1.00 0.00 C ATOM 431 CD LYS A 33 4.012 -17.402 4.878 1.00 0.00 C ATOM 432 CE LYS A 33 4.099 -17.192 6.391 1.00 0.00 C ATOM 433 NZ LYS A 33 3.669 -18.436 7.090 1.00 0.00 N ATOM 0 H LYS A 33 1.132 -16.279 0.492 1.00 0.00 H new ATOM 0 HA LYS A 33 0.734 -18.209 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.394 -19.064 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.335 -17.696 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.098 -16.461 4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.983 -18.104 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.515 -18.328 4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.523 -16.592 4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.120 -16.936 6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.466 -16.357 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.077 -18.455 8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.631 -18.456 7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.999 -19.266 6.556 1.00 0.00 H new ATOM 447 N GLY A 34 -0.148 -15.629 3.275 1.00 0.00 N ATOM 448 CA GLY A 34 -1.134 -15.068 4.242 1.00 0.00 C ATOM 449 C GLY A 34 -0.616 -13.737 4.795 1.00 0.00 C ATOM 450 O GLY A 34 -1.272 -13.089 5.587 1.00 0.00 O ATOM 0 H GLY A 34 0.237 -14.959 2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.095 -14.919 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.299 -15.772 5.058 1.00 0.00 H new ATOM 454 N LYS A 35 0.554 -13.322 4.387 1.00 0.00 N ATOM 455 CA LYS A 35 1.103 -12.032 4.895 1.00 0.00 C ATOM 456 C LYS A 35 0.669 -10.895 3.967 1.00 0.00 C ATOM 457 O LYS A 35 1.218 -10.709 2.899 1.00 0.00 O ATOM 458 CB LYS A 35 2.631 -12.105 4.929 1.00 0.00 C ATOM 459 CG LYS A 35 3.072 -13.158 5.948 1.00 0.00 C ATOM 460 CD LYS A 35 4.600 -13.230 5.979 1.00 0.00 C ATOM 461 CE LYS A 35 5.136 -12.265 7.038 1.00 0.00 C ATOM 462 NZ LYS A 35 6.565 -11.952 6.749 1.00 0.00 N ATOM 0 H LYS A 35 1.151 -13.819 3.726 1.00 0.00 H new ATOM 0 HA LYS A 35 0.726 -11.847 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.015 -12.357 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.046 -11.132 5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.689 -12.905 6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.657 -14.131 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.922 -14.247 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.006 -12.975 5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.546 -11.349 7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.043 -12.708 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.929 -11.296 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.123 -12.829 6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.641 -11.512 5.810 1.00 0.00 H new ATOM 476 N VAL A 36 -0.313 -10.135 4.365 1.00 0.00 N ATOM 477 CA VAL A 36 -0.783 -9.011 3.506 1.00 0.00 C ATOM 478 C VAL A 36 0.332 -7.974 3.363 1.00 0.00 C ATOM 479 O VAL A 36 0.653 -7.260 4.294 1.00 0.00 O ATOM 480 CB VAL A 36 -2.008 -8.356 4.146 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.320 -7.043 3.429 1.00 0.00 C ATOM 482 CG2 VAL A 36 -3.209 -9.298 4.027 1.00 0.00 C ATOM 0 H VAL A 36 -0.811 -10.243 5.249 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.049 -9.396 2.521 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.804 -8.155 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.193 -6.577 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.466 -6.371 3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.524 -7.242 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.083 -8.833 4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.412 -9.498 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.989 -10.235 4.539 1.00 0.00 H new ATOM 492 N GLU A 37 0.926 -7.883 2.204 1.00 0.00 N ATOM 493 CA GLU A 37 2.017 -6.890 2.000 1.00 0.00 C ATOM 494 C GLU A 37 1.465 -5.680 1.243 1.00 0.00 C ATOM 495 O GLU A 37 0.419 -5.749 0.629 1.00 0.00 O ATOM 496 CB GLU A 37 3.144 -7.531 1.187 1.00 0.00 C ATOM 497 CG GLU A 37 3.779 -8.662 1.998 1.00 0.00 C ATOM 498 CD GLU A 37 5.228 -8.301 2.331 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.440 -7.664 3.349 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.100 -8.668 1.561 1.00 0.00 O ATOM 0 H GLU A 37 0.702 -8.454 1.389 1.00 0.00 H new ATOM 0 HA GLU A 37 2.405 -6.569 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.753 -7.919 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.896 -6.783 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.214 -8.827 2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.746 -9.593 1.432 1.00 0.00 H new ATOM 507 N TYR A 38 2.153 -4.572 1.283 1.00 0.00 N ATOM 508 CA TYR A 38 1.654 -3.366 0.564 1.00 0.00 C ATOM 509 C TYR A 38 2.829 -2.599 -0.048 1.00 0.00 C ATOM 510 O TYR A 38 3.712 -2.136 0.647 1.00 0.00 O ATOM 511 CB TYR A 38 0.913 -2.458 1.548 1.00 0.00 C ATOM 512 CG TYR A 38 -0.510 -2.939 1.704 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.407 -2.832 0.632 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.934 -3.491 2.920 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.727 -3.279 0.776 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.254 -3.937 3.065 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.151 -3.830 1.992 1.00 0.00 C ATOM 518 OH TYR A 38 -4.451 -4.270 2.135 1.00 0.00 O ATOM 0 H TYR A 38 3.035 -4.450 1.780 1.00 0.00 H new ATOM 0 HA TYR A 38 0.977 -3.678 -0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.418 -2.463 2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.923 -1.429 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.081 -2.405 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.243 -3.573 3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.418 -3.199 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.581 -4.363 4.002 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.579 -4.625 3.040 1.00 0.00 H new ATOM 528 N LEU A 39 2.838 -2.455 -1.346 1.00 0.00 N ATOM 529 CA LEU A 39 3.946 -1.709 -2.008 1.00 0.00 C ATOM 530 C LEU A 39 3.595 -0.221 -2.032 1.00 0.00 C ATOM 531 O LEU A 39 2.573 0.175 -2.558 1.00 0.00 O ATOM 532 CB LEU A 39 4.115 -2.218 -3.442 1.00 0.00 C ATOM 533 CG LEU A 39 5.456 -1.743 -4.000 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.853 -2.620 -5.190 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.331 -0.290 -4.460 1.00 0.00 C ATOM 0 H LEU A 39 2.125 -2.822 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 39 4.876 -1.860 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.067 -3.307 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.300 -1.853 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 39 6.218 -1.815 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.809 -2.282 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.942 -3.656 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.091 -2.547 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.287 0.049 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.569 -0.218 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.047 0.336 -3.614 1.00 0.00 H new ATOM 547 N LEU A 40 4.424 0.610 -1.459 1.00 0.00 N ATOM 548 CA LEU A 40 4.116 2.070 -1.446 1.00 0.00 C ATOM 549 C LEU A 40 5.344 2.874 -1.883 1.00 0.00 C ATOM 550 O LEU A 40 6.469 2.435 -1.754 1.00 0.00 O ATOM 551 CB LEU A 40 3.714 2.501 -0.029 1.00 0.00 C ATOM 552 CG LEU A 40 3.147 1.305 0.742 1.00 0.00 C ATOM 553 CD1 LEU A 40 4.245 0.696 1.615 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.993 1.776 1.630 1.00 0.00 C ATOM 0 H LEU A 40 5.296 0.344 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 40 3.295 2.260 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.579 2.905 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.971 3.297 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 40 2.784 0.555 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.843 -0.155 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.069 0.364 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.606 1.445 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.587 0.927 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.358 2.524 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.211 2.213 1.009 1.00 0.00 H new ATOM 566 N LYS A 41 5.127 4.059 -2.388 1.00 0.00 N ATOM 567 CA LYS A 41 6.265 4.916 -2.826 1.00 0.00 C ATOM 568 C LYS A 41 6.674 5.820 -1.662 1.00 0.00 C ATOM 569 O LYS A 41 6.253 5.626 -0.539 1.00 0.00 O ATOM 570 CB LYS A 41 5.820 5.781 -4.007 1.00 0.00 C ATOM 571 CG LYS A 41 4.432 6.358 -3.728 1.00 0.00 C ATOM 572 CD LYS A 41 4.125 7.464 -4.738 1.00 0.00 C ATOM 573 CE LYS A 41 3.257 6.900 -5.865 1.00 0.00 C ATOM 574 NZ LYS A 41 3.415 7.744 -7.083 1.00 0.00 N ATOM 0 H LYS A 41 4.203 4.472 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 41 7.107 4.294 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.534 6.588 -4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.800 5.185 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.680 5.572 -3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.389 6.755 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.609 8.288 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.052 7.866 -5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.547 5.872 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.212 6.879 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.825 7.361 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.118 8.718 -6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.412 7.742 -7.379 1.00 0.00 H new ATOM 588 N TRP A 42 7.486 6.809 -1.915 1.00 0.00 N ATOM 589 CA TRP A 42 7.908 7.714 -0.811 1.00 0.00 C ATOM 590 C TRP A 42 8.082 9.135 -1.350 1.00 0.00 C ATOM 591 O TRP A 42 8.666 9.348 -2.393 1.00 0.00 O ATOM 592 CB TRP A 42 9.231 7.217 -0.226 1.00 0.00 C ATOM 593 CG TRP A 42 9.020 5.877 0.404 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.916 4.708 -0.271 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.882 5.548 1.816 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.728 3.682 0.637 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.699 4.149 1.937 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.900 6.319 2.993 1.00 0.00 C ATOM 599 CZ2 TRP A 42 8.540 3.538 3.181 1.00 0.00 C ATOM 600 CZ3 TRP A 42 8.739 5.707 4.248 1.00 0.00 C ATOM 601 CH2 TRP A 42 8.560 4.318 4.340 1.00 0.00 C ATOM 0 H TRP A 42 7.873 7.028 -2.833 1.00 0.00 H new ATOM 0 HA TRP A 42 7.146 7.718 -0.031 1.00 0.00 H new ATOM 0 HB2 TRP A 42 9.986 7.149 -1.010 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.604 7.925 0.514 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.971 4.595 -1.344 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.624 2.701 0.379 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.038 7.388 2.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.402 2.469 3.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.753 6.308 5.145 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.438 3.852 5.307 1.00 0.00 H new ATOM 612 N LYS A 43 7.575 10.108 -0.644 1.00 0.00 N ATOM 613 CA LYS A 43 7.706 11.517 -1.112 1.00 0.00 C ATOM 614 C LYS A 43 9.143 11.774 -1.569 1.00 0.00 C ATOM 615 O LYS A 43 10.071 11.123 -1.132 1.00 0.00 O ATOM 616 CB LYS A 43 7.358 12.469 0.034 1.00 0.00 C ATOM 617 CG LYS A 43 8.474 12.438 1.080 1.00 0.00 C ATOM 618 CD LYS A 43 9.544 13.470 0.715 1.00 0.00 C ATOM 619 CE LYS A 43 9.635 14.523 1.820 1.00 0.00 C ATOM 620 NZ LYS A 43 10.762 15.454 1.528 1.00 0.00 N ATOM 0 H LYS A 43 7.075 9.988 0.237 1.00 0.00 H new ATOM 0 HA LYS A 43 7.025 11.686 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.230 13.482 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.411 12.177 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.067 12.654 2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.915 11.442 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.509 12.979 0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.298 13.945 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.699 15.078 1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.789 14.040 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.824 16.170 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.653 14.919 1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.597 15.924 0.615 1.00 0.00 H new ATOM 634 N GLY A 44 9.334 12.722 -2.446 1.00 0.00 N ATOM 635 CA GLY A 44 10.709 13.023 -2.931 1.00 0.00 C ATOM 636 C GLY A 44 11.173 11.922 -3.886 1.00 0.00 C ATOM 637 O GLY A 44 12.301 11.913 -4.335 1.00 0.00 O ATOM 0 H GLY A 44 8.596 13.301 -2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.723 13.987 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.394 13.098 -2.087 1.00 0.00 H new ATOM 641 N PHE A 45 10.312 10.993 -4.204 1.00 0.00 N ATOM 642 CA PHE A 45 10.713 9.898 -5.131 1.00 0.00 C ATOM 643 C PHE A 45 9.462 9.297 -5.793 1.00 0.00 C ATOM 644 O PHE A 45 8.816 9.939 -6.597 1.00 0.00 O ATOM 645 CB PHE A 45 11.467 8.821 -4.348 1.00 0.00 C ATOM 646 CG PHE A 45 12.820 9.350 -3.938 1.00 0.00 C ATOM 647 CD1 PHE A 45 13.845 9.465 -4.887 1.00 0.00 C ATOM 648 CD2 PHE A 45 13.051 9.727 -2.608 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.101 9.956 -4.505 1.00 0.00 C ATOM 650 CE2 PHE A 45 14.306 10.218 -2.227 1.00 0.00 C ATOM 651 CZ PHE A 45 15.332 10.332 -3.175 1.00 0.00 C ATOM 0 H PHE A 45 9.352 10.946 -3.863 1.00 0.00 H new ATOM 0 HA PHE A 45 11.365 10.296 -5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.896 8.531 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.585 7.927 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.667 9.175 -5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.261 9.639 -1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.891 10.045 -5.236 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.483 10.509 -1.202 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.300 10.709 -2.881 1.00 0.00 H new ATOM 661 N SER A 46 9.113 8.076 -5.467 1.00 0.00 N ATOM 662 CA SER A 46 7.908 7.454 -6.089 1.00 0.00 C ATOM 663 C SER A 46 7.955 5.938 -5.869 1.00 0.00 C ATOM 664 O SER A 46 8.704 5.448 -5.049 1.00 0.00 O ATOM 665 CB SER A 46 7.898 7.756 -7.591 1.00 0.00 C ATOM 666 OG SER A 46 9.221 7.642 -8.099 1.00 0.00 O ATOM 0 H SER A 46 9.610 7.487 -4.799 1.00 0.00 H new ATOM 0 HA SER A 46 7.005 7.861 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.236 7.063 -8.109 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.512 8.760 -7.770 1.00 0.00 H new ATOM 0 HG SER A 46 9.220 7.833 -9.060 1.00 0.00 H new ATOM 672 N ASP A 47 7.164 5.189 -6.592 1.00 0.00 N ATOM 673 CA ASP A 47 7.172 3.706 -6.420 1.00 0.00 C ATOM 674 C ASP A 47 8.616 3.213 -6.318 1.00 0.00 C ATOM 675 O ASP A 47 8.885 2.181 -5.737 1.00 0.00 O ATOM 676 CB ASP A 47 6.493 3.048 -7.624 1.00 0.00 C ATOM 677 CG ASP A 47 6.445 1.533 -7.418 1.00 0.00 C ATOM 678 OD1 ASP A 47 7.413 0.877 -7.764 1.00 0.00 O ATOM 679 OD2 ASP A 47 5.441 1.055 -6.916 1.00 0.00 O ATOM 0 H ASP A 47 6.513 5.540 -7.294 1.00 0.00 H new ATOM 0 HA ASP A 47 6.632 3.443 -5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.484 3.441 -7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.039 3.284 -8.537 1.00 0.00 H new ATOM 684 N GLU A 48 9.537 3.950 -6.882 1.00 0.00 N ATOM 685 CA GLU A 48 10.978 3.559 -6.836 1.00 0.00 C ATOM 686 C GLU A 48 11.295 2.836 -5.525 1.00 0.00 C ATOM 687 O GLU A 48 11.992 1.841 -5.505 1.00 0.00 O ATOM 688 CB GLU A 48 11.827 4.825 -6.917 1.00 0.00 C ATOM 689 CG GLU A 48 12.128 5.148 -8.383 1.00 0.00 C ATOM 690 CD GLU A 48 13.005 6.398 -8.460 1.00 0.00 C ATOM 691 OE1 GLU A 48 12.987 7.170 -7.516 1.00 0.00 O ATOM 692 OE2 GLU A 48 13.680 6.563 -9.463 1.00 0.00 O ATOM 0 H GLU A 48 9.349 4.820 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 48 11.195 2.891 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.301 5.658 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.757 4.687 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.634 4.306 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.199 5.309 -8.929 1.00 0.00 H new ATOM 699 N ASP A 49 10.791 3.331 -4.430 1.00 0.00 N ATOM 700 CA ASP A 49 11.066 2.678 -3.122 1.00 0.00 C ATOM 701 C ASP A 49 9.976 1.648 -2.827 1.00 0.00 C ATOM 702 O ASP A 49 9.423 1.605 -1.746 1.00 0.00 O ATOM 703 CB ASP A 49 11.076 3.738 -2.022 1.00 0.00 C ATOM 704 CG ASP A 49 12.520 4.121 -1.694 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.347 4.055 -2.589 1.00 0.00 O ATOM 706 OD2 ASP A 49 12.775 4.474 -0.554 1.00 0.00 O ATOM 0 H ASP A 49 10.200 4.161 -4.385 1.00 0.00 H new ATOM 0 HA ASP A 49 12.035 2.179 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.520 4.618 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.578 3.356 -1.130 1.00 0.00 H new ATOM 711 N ASN A 50 9.661 0.816 -3.782 1.00 0.00 N ATOM 712 CA ASN A 50 8.609 -0.212 -3.556 1.00 0.00 C ATOM 713 C ASN A 50 8.853 -0.905 -2.215 1.00 0.00 C ATOM 714 O ASN A 50 9.680 -1.788 -2.104 1.00 0.00 O ATOM 715 CB ASN A 50 8.656 -1.250 -4.680 1.00 0.00 C ATOM 716 CG ASN A 50 10.085 -1.775 -4.835 1.00 0.00 C ATOM 717 OD1 ASN A 50 11.030 -1.012 -4.822 1.00 0.00 O ATOM 718 ND2 ASN A 50 10.284 -3.056 -4.981 1.00 0.00 N ATOM 0 H ASN A 50 10.087 0.805 -4.709 1.00 0.00 H new ATOM 0 HA ASN A 50 7.631 0.268 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.978 -2.073 -4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.318 -0.804 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.233 -3.416 -5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.491 -3.697 -4.992 1.00 0.00 H new ATOM 725 N THR A 51 8.143 -0.512 -1.194 1.00 0.00 N ATOM 726 CA THR A 51 8.339 -1.151 0.136 1.00 0.00 C ATOM 727 C THR A 51 7.133 -2.036 0.461 1.00 0.00 C ATOM 728 O THR A 51 6.008 -1.577 0.503 1.00 0.00 O ATOM 729 CB THR A 51 8.480 -0.068 1.209 1.00 0.00 C ATOM 730 OG1 THR A 51 9.646 0.701 0.950 1.00 0.00 O ATOM 731 CG2 THR A 51 8.593 -0.724 2.586 1.00 0.00 C ATOM 0 H THR A 51 7.437 0.223 -1.224 1.00 0.00 H new ATOM 0 HA THR A 51 9.242 -1.761 0.115 1.00 0.00 H new ATOM 0 HB THR A 51 7.604 0.581 1.190 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.619 1.036 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.693 0.047 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.698 -1.314 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.468 -1.373 2.609 1.00 0.00 H new ATOM 739 N TRP A 52 7.359 -3.299 0.693 1.00 0.00 N ATOM 740 CA TRP A 52 6.229 -4.213 1.018 1.00 0.00 C ATOM 741 C TRP A 52 6.139 -4.386 2.535 1.00 0.00 C ATOM 742 O TRP A 52 6.718 -5.291 3.101 1.00 0.00 O ATOM 743 CB TRP A 52 6.470 -5.574 0.363 1.00 0.00 C ATOM 744 CG TRP A 52 6.392 -5.433 -1.123 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.442 -5.168 -1.937 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.225 -5.545 -1.989 1.00 0.00 C ATOM 747 NE1 TRP A 52 6.991 -5.111 -3.241 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.640 -5.335 -3.324 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.861 -5.804 -1.751 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.745 -5.380 -4.384 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.949 -5.850 -2.821 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.392 -5.637 -4.137 1.00 0.00 C ATOM 0 H TRP A 52 8.279 -3.738 0.671 1.00 0.00 H new ATOM 0 HA TRP A 52 5.297 -3.790 0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.448 -5.960 0.651 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.728 -6.293 0.710 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.464 -5.025 -1.618 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.590 -4.925 -4.045 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.514 -5.968 -0.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.091 -5.218 -5.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.905 -6.050 -2.630 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.689 -5.672 -4.957 1.00 0.00 H new ATOM 763 N GLU A 53 5.419 -3.524 3.198 1.00 0.00 N ATOM 764 CA GLU A 53 5.296 -3.640 4.678 1.00 0.00 C ATOM 765 C GLU A 53 4.054 -4.467 5.024 1.00 0.00 C ATOM 766 O GLU A 53 3.071 -4.436 4.310 1.00 0.00 O ATOM 767 CB GLU A 53 5.165 -2.244 5.290 1.00 0.00 C ATOM 768 CG GLU A 53 6.233 -1.322 4.696 1.00 0.00 C ATOM 769 CD GLU A 53 6.400 -0.092 5.589 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.824 -0.259 6.720 1.00 0.00 O ATOM 771 OE2 GLU A 53 6.101 0.997 5.126 1.00 0.00 O ATOM 0 H GLU A 53 4.911 -2.745 2.779 1.00 0.00 H new ATOM 0 HA GLU A 53 6.183 -4.131 5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.172 -1.841 5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.278 -2.298 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.181 -1.854 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.946 -1.017 3.689 1.00 0.00 H new ATOM 778 N PRO A 54 4.141 -5.185 6.116 1.00 0.00 N ATOM 779 CA PRO A 54 3.041 -6.038 6.595 1.00 0.00 C ATOM 780 C PRO A 54 1.975 -5.191 7.297 1.00 0.00 C ATOM 781 O PRO A 54 2.281 -4.328 8.096 1.00 0.00 O ATOM 782 CB PRO A 54 3.726 -6.983 7.587 1.00 0.00 C ATOM 783 CG PRO A 54 5.020 -6.269 8.045 1.00 0.00 C ATOM 784 CD PRO A 54 5.345 -5.212 6.972 1.00 0.00 C ATOM 0 HA PRO A 54 2.528 -6.568 5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.076 -7.192 8.437 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.955 -7.940 7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.880 -5.801 9.019 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.839 -6.981 8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.538 -4.237 7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.234 -5.483 6.402 1.00 0.00 H new ATOM 792 N GLU A 55 0.726 -5.431 7.006 1.00 0.00 N ATOM 793 CA GLU A 55 -0.355 -4.640 7.659 1.00 0.00 C ATOM 794 C GLU A 55 -0.488 -5.071 9.121 1.00 0.00 C ATOM 795 O GLU A 55 -1.085 -4.387 9.928 1.00 0.00 O ATOM 796 CB GLU A 55 -1.678 -4.885 6.931 1.00 0.00 C ATOM 797 CG GLU A 55 -2.123 -6.333 7.154 1.00 0.00 C ATOM 798 CD GLU A 55 -3.230 -6.370 8.208 1.00 0.00 C ATOM 799 OE1 GLU A 55 -2.902 -6.378 9.384 1.00 0.00 O ATOM 800 OE2 GLU A 55 -4.387 -6.390 7.824 1.00 0.00 O ATOM 0 H GLU A 55 0.408 -6.140 6.345 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.108 -3.579 7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.440 -4.198 7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.560 -4.689 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.482 -6.762 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.277 -6.939 7.479 1.00 0.00 H new ATOM 807 N GLU A 56 0.067 -6.200 9.468 1.00 0.00 N ATOM 808 CA GLU A 56 -0.026 -6.673 10.877 1.00 0.00 C ATOM 809 C GLU A 56 0.996 -5.925 11.736 1.00 0.00 C ATOM 810 O GLU A 56 1.034 -6.073 12.941 1.00 0.00 O ATOM 811 CB GLU A 56 0.263 -8.176 10.931 1.00 0.00 C ATOM 812 CG GLU A 56 -0.997 -8.953 10.548 1.00 0.00 C ATOM 813 CD GLU A 56 -0.657 -9.978 9.464 1.00 0.00 C ATOM 814 OE1 GLU A 56 -0.383 -9.563 8.349 1.00 0.00 O ATOM 815 OE2 GLU A 56 -0.674 -11.159 9.768 1.00 0.00 O ATOM 0 H GLU A 56 0.581 -6.815 8.836 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.029 -6.482 11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.077 -8.425 10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.587 -8.459 11.933 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.406 -9.457 11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.764 -8.268 10.187 1.00 0.00 H new ATOM 822 N ASN A 57 1.825 -5.122 11.126 1.00 0.00 N ATOM 823 CA ASN A 57 2.842 -4.366 11.910 1.00 0.00 C ATOM 824 C ASN A 57 3.004 -2.967 11.313 1.00 0.00 C ATOM 825 O ASN A 57 3.913 -2.236 11.656 1.00 0.00 O ATOM 826 CB ASN A 57 4.182 -5.103 11.854 1.00 0.00 C ATOM 827 CG ASN A 57 4.183 -6.241 12.878 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.484 -6.031 14.036 1.00 0.00 O ATOM 829 ND2 ASN A 57 3.855 -7.445 12.496 1.00 0.00 N ATOM 0 H ASN A 57 1.842 -4.957 10.120 1.00 0.00 H new ATOM 0 HA ASN A 57 2.517 -4.285 12.947 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.349 -5.500 10.853 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.998 -4.411 12.062 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.851 -8.211 13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.602 -7.620 11.523 1.00 0.00 H new ATOM 836 N LEU A 58 2.130 -2.588 10.421 1.00 0.00 N ATOM 837 CA LEU A 58 2.231 -1.237 9.802 1.00 0.00 C ATOM 838 C LEU A 58 1.517 -0.214 10.687 1.00 0.00 C ATOM 839 O LEU A 58 1.116 -0.511 11.796 1.00 0.00 O ATOM 840 CB LEU A 58 1.576 -1.263 8.419 1.00 0.00 C ATOM 841 CG LEU A 58 2.657 -1.254 7.339 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.001 -1.192 5.959 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.558 -0.032 7.529 1.00 0.00 C ATOM 0 H LEU A 58 1.349 -3.157 10.094 1.00 0.00 H new ATOM 0 HA LEU A 58 3.280 -0.959 9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.953 -2.152 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.921 -0.400 8.299 1.00 0.00 H new ATOM 0 HG LEU A 58 3.254 -2.163 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.773 -1.186 5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.359 -2.062 5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.403 -0.284 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.329 -0.025 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.960 0.876 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.027 -0.075 8.512 1.00 0.00 H new ATOM 855 N ASP A 59 1.354 0.989 10.209 1.00 0.00 N ATOM 856 CA ASP A 59 0.665 2.030 11.024 1.00 0.00 C ATOM 857 C ASP A 59 -0.036 3.024 10.096 1.00 0.00 C ATOM 858 O ASP A 59 -0.189 4.185 10.418 1.00 0.00 O ATOM 859 CB ASP A 59 1.695 2.771 11.880 1.00 0.00 C ATOM 860 CG ASP A 59 1.027 3.274 13.161 1.00 0.00 C ATOM 861 OD1 ASP A 59 0.020 2.702 13.543 1.00 0.00 O ATOM 862 OD2 ASP A 59 1.535 4.221 13.738 1.00 0.00 O ATOM 0 H ASP A 59 1.668 1.297 9.289 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.073 1.555 11.671 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.524 2.107 12.126 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.112 3.609 11.322 1.00 0.00 H new ATOM 867 N CYS A 60 -0.464 2.577 8.948 1.00 0.00 N ATOM 868 CA CYS A 60 -1.156 3.497 8.001 1.00 0.00 C ATOM 869 C CYS A 60 -2.398 2.805 7.433 1.00 0.00 C ATOM 870 O CYS A 60 -2.353 2.239 6.358 1.00 0.00 O ATOM 871 CB CYS A 60 -0.205 3.862 6.859 1.00 0.00 C ATOM 872 SG CYS A 60 -0.039 5.662 6.764 1.00 0.00 S ATOM 0 H CYS A 60 -0.365 1.615 8.624 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.456 4.403 8.527 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.770 3.404 7.023 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.586 3.471 5.915 1.00 0.00 H new ATOM 0 HG CYS A 60 0.594 5.982 5.675 1.00 0.00 H new ATOM 878 N PRO A 61 -3.473 2.873 8.176 1.00 0.00 N ATOM 879 CA PRO A 61 -4.752 2.262 7.780 1.00 0.00 C ATOM 880 C PRO A 61 -5.462 3.137 6.744 1.00 0.00 C ATOM 881 O PRO A 61 -6.505 2.786 6.228 1.00 0.00 O ATOM 882 CB PRO A 61 -5.546 2.211 9.089 1.00 0.00 C ATOM 883 CG PRO A 61 -4.928 3.286 10.015 1.00 0.00 C ATOM 884 CD PRO A 61 -3.511 3.566 9.481 1.00 0.00 C ATOM 0 HA PRO A 61 -4.636 1.281 7.320 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.602 2.412 8.911 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.482 1.223 9.544 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.530 4.194 10.010 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.891 2.934 11.046 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.331 4.635 9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.747 3.183 10.158 1.00 0.00 H new ATOM 892 N ASP A 62 -4.905 4.275 6.432 1.00 0.00 N ATOM 893 CA ASP A 62 -5.547 5.169 5.430 1.00 0.00 C ATOM 894 C ASP A 62 -5.059 4.790 4.033 1.00 0.00 C ATOM 895 O ASP A 62 -5.820 4.760 3.086 1.00 0.00 O ATOM 896 CB ASP A 62 -5.172 6.622 5.726 1.00 0.00 C ATOM 897 CG ASP A 62 -6.264 7.550 5.191 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.391 7.098 5.072 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.955 8.696 4.908 1.00 0.00 O ATOM 0 H ASP A 62 -4.032 4.624 6.829 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.630 5.059 5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.051 6.766 6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.215 6.864 5.263 1.00 0.00 H new ATOM 904 N LEU A 63 -3.796 4.493 3.896 1.00 0.00 N ATOM 905 CA LEU A 63 -3.267 4.110 2.561 1.00 0.00 C ATOM 906 C LEU A 63 -3.665 2.667 2.268 1.00 0.00 C ATOM 907 O LEU A 63 -3.875 2.287 1.133 1.00 0.00 O ATOM 908 CB LEU A 63 -1.743 4.235 2.558 1.00 0.00 C ATOM 909 CG LEU A 63 -1.342 5.580 3.166 1.00 0.00 C ATOM 910 CD1 LEU A 63 0.166 5.786 3.008 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.088 6.706 2.446 1.00 0.00 C ATOM 0 H LEU A 63 -3.110 4.500 4.651 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.679 4.769 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.299 3.419 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.363 4.156 1.540 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.599 5.590 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.450 6.745 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.698 4.984 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.426 5.776 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.803 7.665 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.830 6.694 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.162 6.561 2.560 1.00 0.00 H new ATOM 923 N ILE A 64 -3.777 1.861 3.286 1.00 0.00 N ATOM 924 CA ILE A 64 -4.170 0.444 3.070 1.00 0.00 C ATOM 925 C ILE A 64 -5.614 0.401 2.568 1.00 0.00 C ATOM 926 O ILE A 64 -5.923 -0.243 1.587 1.00 0.00 O ATOM 927 CB ILE A 64 -4.060 -0.327 4.387 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.585 -0.478 4.768 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.685 -1.713 4.222 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.467 -0.717 6.275 1.00 0.00 C ATOM 0 H ILE A 64 -3.613 2.124 4.258 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.510 -0.014 2.334 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.586 0.218 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.141 -1.310 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.033 0.419 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.606 -2.262 5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.735 -1.608 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.159 -2.258 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.416 -0.824 6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.895 0.129 6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.005 -1.626 6.542 1.00 0.00 H new ATOM 942 N ALA A 65 -6.500 1.093 3.234 1.00 0.00 N ATOM 943 CA ALA A 65 -7.923 1.102 2.798 1.00 0.00 C ATOM 944 C ALA A 65 -8.105 2.126 1.675 1.00 0.00 C ATOM 945 O ALA A 65 -9.189 2.302 1.154 1.00 0.00 O ATOM 946 CB ALA A 65 -8.817 1.479 3.980 1.00 0.00 C ATOM 0 H ALA A 65 -6.297 1.653 4.062 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.198 0.111 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.859 1.486 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.688 0.751 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.542 2.470 4.342 1.00 0.00 H new ATOM 952 N GLU A 66 -7.054 2.802 1.296 1.00 0.00 N ATOM 953 CA GLU A 66 -7.173 3.810 0.208 1.00 0.00 C ATOM 954 C GLU A 66 -6.827 3.154 -1.130 1.00 0.00 C ATOM 955 O GLU A 66 -7.308 3.553 -2.172 1.00 0.00 O ATOM 956 CB GLU A 66 -6.210 4.968 0.477 1.00 0.00 C ATOM 957 CG GLU A 66 -6.103 5.846 -0.771 1.00 0.00 C ATOM 958 CD GLU A 66 -5.391 7.153 -0.416 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.859 7.835 0.481 1.00 0.00 O ATOM 960 OE2 GLU A 66 -4.390 7.449 -1.048 1.00 0.00 O ATOM 0 H GLU A 66 -6.120 2.699 1.693 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.194 4.191 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.564 5.560 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.227 4.582 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.553 5.321 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.097 6.057 -1.167 1.00 0.00 H new ATOM 967 N PHE A 67 -5.995 2.148 -1.107 1.00 0.00 N ATOM 968 CA PHE A 67 -5.617 1.464 -2.376 1.00 0.00 C ATOM 969 C PHE A 67 -6.366 0.133 -2.481 1.00 0.00 C ATOM 970 O PHE A 67 -6.551 -0.400 -3.557 1.00 0.00 O ATOM 971 CB PHE A 67 -4.109 1.204 -2.386 1.00 0.00 C ATOM 972 CG PHE A 67 -3.758 0.325 -3.562 1.00 0.00 C ATOM 973 CD1 PHE A 67 -3.448 0.902 -4.800 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.741 -1.069 -3.415 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.121 0.086 -5.892 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.414 -1.885 -4.506 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.105 -1.307 -5.745 1.00 0.00 C ATOM 0 H PHE A 67 -5.561 1.771 -0.265 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.882 2.097 -3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.567 2.148 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.806 0.724 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.461 1.976 -4.913 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.980 -1.514 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.881 0.531 -6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.400 -2.959 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.855 -1.936 -6.587 1.00 0.00 H new ATOM 987 N LEU A 68 -6.795 -0.409 -1.374 1.00 0.00 N ATOM 988 CA LEU A 68 -7.527 -1.707 -1.420 1.00 0.00 C ATOM 989 C LEU A 68 -9.000 -1.451 -1.755 1.00 0.00 C ATOM 990 O LEU A 68 -9.667 -2.280 -2.342 1.00 0.00 O ATOM 991 CB LEU A 68 -7.399 -2.419 -0.062 1.00 0.00 C ATOM 992 CG LEU A 68 -8.470 -1.916 0.915 1.00 0.00 C ATOM 993 CD1 LEU A 68 -9.789 -2.643 0.650 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.019 -2.201 2.350 1.00 0.00 C ATOM 0 H LEU A 68 -6.671 -0.011 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.097 -2.346 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.501 -3.496 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.407 -2.243 0.355 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.611 -0.844 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.548 -2.284 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.112 -2.449 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.648 -3.715 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.777 -1.845 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.880 -3.274 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.078 -1.687 2.544 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.513 -0.309 -1.385 1.00 0.00 N ATOM 1007 CA GLN A 69 -10.941 -0.003 -1.682 1.00 0.00 C ATOM 1008 C GLN A 69 -11.068 0.490 -3.125 1.00 0.00 C ATOM 1009 O GLN A 69 -12.110 0.383 -3.739 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.441 1.082 -0.725 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.968 1.032 -0.647 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.435 1.677 0.660 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.415 2.884 0.796 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.857 0.918 1.634 1.00 0.00 N ATOM 0 H GLN A 69 -9.005 0.424 -0.890 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.540 -0.904 -1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.011 0.934 0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.116 2.064 -1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.403 1.555 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.311 -0.001 -0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.874 -0.095 1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.170 1.338 2.509 1.00 0.00 H new ATOM 1023 N SER A 70 -10.012 1.029 -3.673 1.00 0.00 N ATOM 1024 CA SER A 70 -10.073 1.526 -5.076 1.00 0.00 C ATOM 1025 C SER A 70 -10.365 0.358 -6.019 1.00 0.00 C ATOM 1026 O SER A 70 -11.015 0.513 -7.033 1.00 0.00 O ATOM 1027 CB SER A 70 -8.734 2.162 -5.451 1.00 0.00 C ATOM 1028 OG SER A 70 -8.054 2.554 -4.266 1.00 0.00 O ATOM 0 H SER A 70 -9.111 1.146 -3.209 1.00 0.00 H new ATOM 0 HA SER A 70 -10.865 2.270 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.127 1.454 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.896 3.027 -6.094 1.00 0.00 H new ATOM 0 HG SER A 70 -8.619 3.168 -3.752 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.887 -0.811 -5.691 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.136 -1.991 -6.568 1.00 0.00 C ATOM 1036 C GLN A 71 -11.642 -2.173 -6.766 1.00 0.00 C ATOM 1037 O GLN A 71 -12.089 -2.654 -7.788 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.554 -3.244 -5.910 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.287 -3.672 -6.652 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.643 -4.852 -5.921 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -8.302 -5.826 -5.617 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -6.373 -4.805 -5.625 1.00 0.00 N ATOM 0 H GLN A 71 -9.335 -1.000 -4.854 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.660 -1.832 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.325 -3.044 -4.863 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.287 -4.050 -5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.530 -3.954 -7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.586 -2.839 -6.708 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.820 -3.987 -5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.934 -5.586 -5.138 1.00 0.00 H new ATOM 1051 N LYS A 72 -12.428 -1.793 -5.797 1.00 0.00 N ATOM 1052 CA LYS A 72 -13.904 -1.947 -5.929 1.00 0.00 C ATOM 1053 C LYS A 72 -14.527 -0.605 -6.319 1.00 0.00 C ATOM 1054 O LYS A 72 -15.668 -0.537 -6.731 1.00 0.00 O ATOM 1055 CB LYS A 72 -14.489 -2.412 -4.595 1.00 0.00 C ATOM 1056 CG LYS A 72 -13.880 -3.762 -4.212 1.00 0.00 C ATOM 1057 CD LYS A 72 -14.998 -4.757 -3.897 1.00 0.00 C ATOM 1058 CE LYS A 72 -15.618 -4.415 -2.542 1.00 0.00 C ATOM 1059 NZ LYS A 72 -16.751 -5.343 -2.266 1.00 0.00 N ATOM 0 H LYS A 72 -12.112 -1.382 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.123 -2.686 -6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.283 -1.675 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.573 -2.499 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.263 -4.139 -5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.228 -3.646 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.759 -4.723 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.602 -5.772 -3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.868 -4.496 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.970 -3.383 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.173 -5.111 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.470 -5.244 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.402 -6.322 -2.250 1.00 0.00 H new ATOM 1073 N THR A 73 -13.790 0.464 -6.191 1.00 0.00 N ATOM 1074 CA THR A 73 -14.345 1.799 -6.553 1.00 0.00 C ATOM 1075 C THR A 73 -14.624 1.845 -8.057 1.00 0.00 C ATOM 1076 O THR A 73 -15.585 2.442 -8.501 1.00 0.00 O ATOM 1077 CB THR A 73 -13.333 2.888 -6.189 1.00 0.00 C ATOM 1078 OG1 THR A 73 -13.247 2.997 -4.776 1.00 0.00 O ATOM 1079 CG2 THR A 73 -13.786 4.224 -6.781 1.00 0.00 C ATOM 0 H THR A 73 -12.828 0.471 -5.852 1.00 0.00 H new ATOM 0 HA THR A 73 -15.273 1.967 -6.006 1.00 0.00 H new ATOM 0 HB THR A 73 -12.355 2.628 -6.593 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.899 2.160 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.065 5.000 -6.522 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.852 4.138 -7.866 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.764 4.488 -6.378 1.00 0.00 H new ATOM 1087 N ALA A 74 -13.792 1.222 -8.845 1.00 0.00 N ATOM 1088 CA ALA A 74 -14.011 1.233 -10.319 1.00 0.00 C ATOM 1089 C ALA A 74 -14.824 0.002 -10.727 1.00 0.00 C ATOM 1090 O ALA A 74 -14.954 -0.309 -11.894 1.00 0.00 O ATOM 1091 CB ALA A 74 -12.660 1.212 -11.035 1.00 0.00 C ATOM 0 H ALA A 74 -12.970 0.706 -8.532 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.557 2.135 -10.597 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.819 1.220 -12.113 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.082 2.090 -10.747 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.114 0.311 -10.756 1.00 0.00 H new ATOM 1097 N HIS A 75 -15.373 -0.701 -9.775 1.00 0.00 N ATOM 1098 CA HIS A 75 -16.176 -1.910 -10.109 1.00 0.00 C ATOM 1099 C HIS A 75 -17.537 -1.824 -9.414 1.00 0.00 C ATOM 1100 O HIS A 75 -17.768 -2.452 -8.400 1.00 0.00 O ATOM 1101 CB HIS A 75 -15.438 -3.163 -9.631 1.00 0.00 C ATOM 1102 CG HIS A 75 -15.551 -4.241 -10.673 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -16.650 -4.347 -11.512 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -14.712 -5.269 -11.024 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -16.444 -5.404 -12.318 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -15.277 -6.003 -12.062 1.00 0.00 N ATOM 0 H HIS A 75 -15.300 -0.490 -8.780 1.00 0.00 H new ATOM 0 HA HIS A 75 -16.320 -1.964 -11.188 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -14.389 -2.931 -9.445 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -15.860 -3.509 -8.688 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -13.757 -5.477 -10.564 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.137 -5.729 -13.080 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -14.885 -6.822 -12.527 1.00 0.00 H new ATOM 1114 N GLU A 76 -18.442 -1.051 -9.952 1.00 0.00 N ATOM 1115 CA GLU A 76 -19.786 -0.925 -9.320 1.00 0.00 C ATOM 1116 C GLU A 76 -20.580 0.179 -10.021 1.00 0.00 C ATOM 1117 O GLU A 76 -21.789 0.117 -10.125 1.00 0.00 O ATOM 1118 CB GLU A 76 -19.620 -0.571 -7.841 1.00 0.00 C ATOM 1119 CG GLU A 76 -18.556 0.518 -7.693 1.00 0.00 C ATOM 1120 CD GLU A 76 -18.395 0.877 -6.215 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -19.163 0.368 -5.416 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -17.506 1.654 -5.908 1.00 0.00 O ATOM 0 H GLU A 76 -18.308 -0.502 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.321 -1.870 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -20.569 -0.226 -7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -19.331 -1.456 -7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.606 0.171 -8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.843 1.401 -8.264 1.00 0.00 H new ATOM 1129 N THR A 77 -19.911 1.191 -10.501 1.00 0.00 N ATOM 1130 CA THR A 77 -20.629 2.298 -11.193 1.00 0.00 C ATOM 1131 C THR A 77 -20.160 2.379 -12.648 1.00 0.00 C ATOM 1132 O THR A 77 -19.916 3.447 -13.174 1.00 0.00 O ATOM 1133 CB THR A 77 -20.327 3.622 -10.487 1.00 0.00 C ATOM 1134 OG1 THR A 77 -21.008 4.677 -11.152 1.00 0.00 O ATOM 1135 CG2 THR A 77 -18.821 3.886 -10.514 1.00 0.00 C ATOM 0 H THR A 77 -18.898 1.299 -10.444 1.00 0.00 H new ATOM 0 HA THR A 77 -21.702 2.108 -11.166 1.00 0.00 H new ATOM 0 HB THR A 77 -20.664 3.567 -9.452 1.00 0.00 H new ATOM 0 HG1 THR A 77 -20.766 4.676 -12.102 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.608 4.829 -10.011 1.00 0.00 H new ATOM 0 HG22 THR A 77 -18.300 3.076 -10.003 1.00 0.00 H new ATOM 0 HG23 THR A 77 -18.480 3.941 -11.548 1.00 0.00 H new ATOM 1143 N ASP A 78 -20.034 1.257 -13.303 1.00 0.00 N ATOM 1144 CA ASP A 78 -19.581 1.269 -14.723 1.00 0.00 C ATOM 1145 C ASP A 78 -20.339 2.353 -15.492 1.00 0.00 C ATOM 1146 O ASP A 78 -21.423 2.753 -15.114 1.00 0.00 O ATOM 1147 CB ASP A 78 -19.862 -0.095 -15.357 1.00 0.00 C ATOM 1148 CG ASP A 78 -18.828 -0.371 -16.451 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -17.726 0.138 -16.339 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -19.158 -1.089 -17.381 1.00 0.00 O ATOM 0 H ASP A 78 -20.225 0.333 -12.916 1.00 0.00 H new ATOM 0 HA ASP A 78 -18.512 1.477 -14.762 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -19.822 -0.876 -14.598 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -20.867 -0.112 -15.779 1.00 0.00 H new ATOM 1155 N LYS A 79 -19.778 2.833 -16.568 1.00 0.00 N ATOM 1156 CA LYS A 79 -20.468 3.891 -17.359 1.00 0.00 C ATOM 1157 C LYS A 79 -20.098 3.746 -18.837 1.00 0.00 C ATOM 1158 O LYS A 79 -19.817 4.715 -19.515 1.00 0.00 O ATOM 1159 CB LYS A 79 -20.031 5.269 -16.857 1.00 0.00 C ATOM 1160 CG LYS A 79 -21.088 5.820 -15.897 1.00 0.00 C ATOM 1161 CD LYS A 79 -21.671 7.114 -16.467 1.00 0.00 C ATOM 1162 CE LYS A 79 -22.701 6.777 -17.548 1.00 0.00 C ATOM 1163 NZ LYS A 79 -22.059 6.860 -18.890 1.00 0.00 N ATOM 0 H LYS A 79 -18.872 2.539 -16.933 1.00 0.00 H new ATOM 0 HA LYS A 79 -21.547 3.787 -17.243 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -19.068 5.195 -16.352 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -19.898 5.949 -17.698 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -21.880 5.085 -15.751 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.644 6.008 -14.920 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -22.139 7.696 -15.673 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.876 7.730 -16.887 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -23.100 5.776 -17.385 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -23.542 7.468 -17.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -22.794 6.936 -19.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -21.443 7.697 -18.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -21.491 6.005 -19.057 1.00 0.00 H new ATOM 1177 N SER A 80 -20.096 2.542 -19.342 1.00 0.00 N ATOM 1178 CA SER A 80 -19.746 2.336 -20.776 1.00 0.00 C ATOM 1179 C SER A 80 -20.442 1.076 -21.294 1.00 0.00 C ATOM 1180 O SER A 80 -20.386 0.068 -20.609 1.00 0.00 O ATOM 1181 CB SER A 80 -18.232 2.174 -20.912 1.00 0.00 C ATOM 1182 OG SER A 80 -17.626 2.315 -19.634 1.00 0.00 O ATOM 1183 OXT SER A 80 -21.019 1.141 -22.367 1.00 0.00 O ATOM 0 H SER A 80 -20.321 1.693 -18.824 1.00 0.00 H new ATOM 0 HA SER A 80 -20.073 3.198 -21.358 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.996 1.197 -21.333 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.835 2.921 -21.599 1.00 0.00 H new ATOM 0 HG SER A 80 -16.655 2.210 -19.719 1.00 0.00 H new TER 1189 SER A 80