USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 462 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 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.49!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=-0.34) USER MOD Single : A -5 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.12) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl -153:sc= -0.332 (180deg=-1.17!) USER MOD Single : A -9 LYS NZ :NH3+ -158:sc=-0.00287 (180deg=-0.177) USER MOD Single : A 10 SER OG : rot 180:sc= -0.208 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.055 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.328 F(o=-1.1,f=-0.33) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 83:sc= 0.00772 USER MOD Single : A 31 ASN : amide:sc= -0.0671 K(o=-0.067,f=-1.3) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.492 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A -11 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.35) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 180:sc= 0 USER MOD Single : A -17 ASN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ -110:sc= 0.0544 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 13.870 40.655 18.603 1.00 0.00 N ATOM 2 CA MET A -18 12.527 41.255 18.388 1.00 0.00 C ATOM 3 C MET A -18 11.476 40.582 19.264 1.00 0.00 C ATOM 4 O MET A -18 11.634 39.428 19.667 1.00 0.00 O ATOM 5 CB MET A -18 12.158 41.107 16.912 1.00 0.00 C ATOM 6 CG MET A -18 12.772 42.175 16.021 1.00 0.00 C ATOM 7 SD MET A -18 11.623 43.513 15.645 1.00 0.00 S ATOM 8 CE MET A -18 12.511 44.919 16.311 1.00 0.00 C ATOM 0 H1 MET A -18 14.480 41.337 19.097 1.00 0.00 H new ATOM 0 H2 MET A -18 13.777 39.794 19.179 1.00 0.00 H new ATOM 0 H3 MET A -18 14.293 40.414 17.684 1.00 0.00 H new ATOM 0 HA MET A -18 12.558 42.309 18.664 1.00 0.00 H new ATOM 0 HB2 MET A -18 12.479 40.126 16.563 1.00 0.00 H new ATOM 0 HB3 MET A -18 11.073 41.142 16.812 1.00 0.00 H new ATOM 0 HG2 MET A -18 13.655 42.587 16.510 1.00 0.00 H new ATOM 0 HG3 MET A -18 13.107 41.717 15.090 1.00 0.00 H new ATOM 0 HE1 MET A -18 11.927 45.826 16.155 1.00 0.00 H new ATOM 0 HE2 MET A -18 12.676 44.773 17.379 1.00 0.00 H new ATOM 0 HE3 MET A -18 13.472 45.015 15.806 1.00 0.00 H new ATOM 20 N ASN A -17 10.402 41.308 19.555 1.00 0.00 N ATOM 21 CA ASN A -17 9.323 40.781 20.383 1.00 0.00 C ATOM 22 C ASN A -17 8.286 40.059 19.530 1.00 0.00 C ATOM 23 O ASN A -17 7.333 40.668 19.044 1.00 0.00 O ATOM 24 CB ASN A -17 8.655 41.912 21.167 1.00 0.00 C ATOM 25 CG ASN A -17 7.912 41.408 22.390 1.00 0.00 C ATOM 26 OD1 ASN A -17 8.494 41.251 23.463 1.00 0.00 O ATOM 27 ND2 ASN A -17 6.619 41.151 22.231 1.00 0.00 N ATOM 0 H ASN A -17 10.255 42.264 19.230 1.00 0.00 H new ATOM 0 HA ASN A -17 9.753 40.066 21.084 1.00 0.00 H new ATOM 0 HB2 ASN A -17 9.412 42.632 21.477 1.00 0.00 H new ATOM 0 HB3 ASN A -17 7.960 42.441 20.515 1.00 0.00 H new ATOM 0 HD21 ASN A -17 6.067 40.809 23.017 1.00 0.00 H new ATOM 0 HD22 ASN A -17 6.178 41.296 21.323 1.00 0.00 H new ATOM 34 N SER A -16 8.478 38.756 19.351 1.00 0.00 N ATOM 35 CA SER A -16 7.559 37.951 18.557 1.00 0.00 C ATOM 36 C SER A -16 6.351 37.528 19.387 1.00 0.00 C ATOM 37 O SER A -16 6.461 36.687 20.281 1.00 0.00 O ATOM 38 CB SER A -16 8.274 36.715 18.007 1.00 0.00 C ATOM 39 OG SER A -16 9.316 37.081 17.119 1.00 0.00 O ATOM 0 H SER A -16 9.262 38.236 19.745 1.00 0.00 H new ATOM 0 HA SER A -16 7.209 38.560 17.723 1.00 0.00 H new ATOM 0 HB2 SER A -16 8.683 36.131 18.831 1.00 0.00 H new ATOM 0 HB3 SER A -16 7.558 36.077 17.489 1.00 0.00 H new ATOM 0 HG SER A -16 9.758 36.274 16.783 1.00 0.00 H new ATOM 45 N VAL A -15 5.196 38.106 19.079 1.00 0.00 N ATOM 46 CA VAL A -15 3.971 37.785 19.800 1.00 0.00 C ATOM 47 C VAL A -15 3.177 36.718 19.062 1.00 0.00 C ATOM 48 O VAL A -15 2.376 36.001 19.661 1.00 0.00 O ATOM 49 CB VAL A -15 3.086 39.030 19.993 1.00 0.00 C ATOM 50 CG1 VAL A -15 1.914 38.718 20.912 1.00 0.00 C ATOM 51 CG2 VAL A -15 3.907 40.189 20.539 1.00 0.00 C ATOM 0 H VAL A -15 5.082 38.797 18.337 1.00 0.00 H new ATOM 0 HA VAL A -15 4.265 37.409 20.780 1.00 0.00 H new ATOM 0 HB VAL A -15 2.687 39.322 19.022 1.00 0.00 H new ATOM 0 HG11 VAL A -15 1.301 39.611 21.036 1.00 0.00 H new ATOM 0 HG12 VAL A -15 1.311 37.921 20.476 1.00 0.00 H new ATOM 0 HG13 VAL A -15 2.289 38.398 21.884 1.00 0.00 H new ATOM 0 HG21 VAL A -15 3.265 41.060 20.669 1.00 0.00 H new ATOM 0 HG22 VAL A -15 4.338 39.909 21.500 1.00 0.00 H new ATOM 0 HG23 VAL A -15 4.707 40.429 19.839 1.00 0.00 H new ATOM 61 N LYS A -14 3.429 36.593 17.766 1.00 0.00 N ATOM 62 CA LYS A -14 2.763 35.585 16.960 1.00 0.00 C ATOM 63 C LYS A -14 3.494 34.257 17.111 1.00 0.00 C ATOM 64 O LYS A -14 2.883 33.189 17.080 1.00 0.00 O ATOM 65 CB LYS A -14 2.723 36.007 15.489 1.00 0.00 C ATOM 66 CG LYS A -14 1.378 35.765 14.823 1.00 0.00 C ATOM 67 CD LYS A -14 1.042 34.282 14.759 1.00 0.00 C ATOM 68 CE LYS A -14 -0.193 33.952 15.582 1.00 0.00 C ATOM 69 NZ LYS A -14 -0.897 32.745 15.069 1.00 0.00 N ATOM 0 H LYS A -14 4.089 37.177 17.253 1.00 0.00 H new ATOM 0 HA LYS A -14 1.735 35.475 17.306 1.00 0.00 H new ATOM 0 HB2 LYS A -14 2.969 37.066 15.417 1.00 0.00 H new ATOM 0 HB3 LYS A -14 3.493 35.463 14.942 1.00 0.00 H new ATOM 0 HG2 LYS A -14 0.599 36.292 15.374 1.00 0.00 H new ATOM 0 HG3 LYS A -14 1.391 36.179 13.815 1.00 0.00 H new ATOM 0 HD2 LYS A -14 0.877 33.990 13.722 1.00 0.00 H new ATOM 0 HD3 LYS A -14 1.889 33.700 15.123 1.00 0.00 H new ATOM 0 HE2 LYS A -14 0.096 33.790 16.620 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -0.875 34.802 15.570 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -1.733 32.554 15.658 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -1.195 32.909 14.086 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -0.255 31.928 15.104 1.00 0.00 H new ATOM 83 N GLU A -13 4.808 34.341 17.301 1.00 0.00 N ATOM 84 CA GLU A -13 5.629 33.160 17.486 1.00 0.00 C ATOM 85 C GLU A -13 5.476 32.642 18.905 1.00 0.00 C ATOM 86 O GLU A -13 5.402 31.435 19.138 1.00 0.00 O ATOM 87 CB GLU A -13 7.098 33.472 17.191 1.00 0.00 C ATOM 88 CG GLU A -13 7.326 34.094 15.822 1.00 0.00 C ATOM 89 CD GLU A -13 7.911 33.112 14.826 1.00 0.00 C ATOM 90 OE1 GLU A -13 8.978 32.532 15.120 1.00 0.00 O ATOM 91 OE2 GLU A -13 7.304 32.925 13.751 1.00 0.00 O ATOM 0 H GLU A -13 5.324 35.221 17.330 1.00 0.00 H new ATOM 0 HA GLU A -13 5.296 32.391 16.789 1.00 0.00 H new ATOM 0 HB2 GLU A -13 7.478 34.149 17.956 1.00 0.00 H new ATOM 0 HB3 GLU A -13 7.678 32.552 17.264 1.00 0.00 H new ATOM 0 HG2 GLU A -13 6.380 34.475 15.438 1.00 0.00 H new ATOM 0 HG3 GLU A -13 7.997 34.948 15.922 1.00 0.00 H new ATOM 98 N LEU A -12 5.418 33.571 19.849 1.00 0.00 N ATOM 99 CA LEU A -12 5.260 33.220 21.255 1.00 0.00 C ATOM 100 C LEU A -12 3.845 32.720 21.530 1.00 0.00 C ATOM 101 O LEU A -12 3.615 31.964 22.473 1.00 0.00 O ATOM 102 CB LEU A -12 5.573 34.423 22.147 1.00 0.00 C ATOM 103 CG LEU A -12 7.017 34.503 22.648 1.00 0.00 C ATOM 104 CD1 LEU A -12 7.989 34.510 21.479 1.00 0.00 C ATOM 105 CD2 LEU A -12 7.211 35.740 23.514 1.00 0.00 C ATOM 0 H LEU A -12 5.478 34.573 19.668 1.00 0.00 H new ATOM 0 HA LEU A -12 5.963 32.420 21.485 1.00 0.00 H new ATOM 0 HB2 LEU A -12 5.346 35.334 21.594 1.00 0.00 H new ATOM 0 HB3 LEU A -12 4.907 34.399 23.009 1.00 0.00 H new ATOM 0 HG LEU A -12 7.221 33.621 23.256 1.00 0.00 H new ATOM 0 HD11 LEU A -12 9.010 34.567 21.855 1.00 0.00 H new ATOM 0 HD12 LEU A -12 7.867 33.595 20.899 1.00 0.00 H new ATOM 0 HD13 LEU A -12 7.788 35.372 20.844 1.00 0.00 H new ATOM 0 HD21 LEU A -12 8.243 35.782 23.862 1.00 0.00 H new ATOM 0 HD22 LEU A -12 6.989 36.632 22.929 1.00 0.00 H new ATOM 0 HD23 LEU A -12 6.540 35.692 24.372 1.00 0.00 H new ATOM 117 N ASN A -11 2.900 33.147 20.698 1.00 0.00 N ATOM 118 CA ASN A -11 1.509 32.741 20.851 1.00 0.00 C ATOM 119 C ASN A -11 1.321 31.278 20.461 1.00 0.00 C ATOM 120 O ASN A -11 0.397 30.614 20.928 1.00 0.00 O ATOM 121 CB ASN A -11 0.597 33.632 20.005 1.00 0.00 C ATOM 122 CG ASN A -11 -0.869 33.279 20.167 1.00 0.00 C ATOM 123 OD1 ASN A -11 -1.323 32.951 21.263 1.00 0.00 O ATOM 124 ND2 ASN A -11 -1.619 33.348 19.073 1.00 0.00 N ATOM 0 H ASN A -11 3.073 33.774 19.912 1.00 0.00 H new ATOM 0 HA ASN A -11 1.238 32.854 21.901 1.00 0.00 H new ATOM 0 HB2 ASN A -11 0.750 34.674 20.286 1.00 0.00 H new ATOM 0 HB3 ASN A -11 0.876 33.540 18.955 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -2.613 33.124 19.121 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -1.201 33.625 18.185 1.00 0.00 H new ATOM 131 N VAL A -10 2.205 30.786 19.602 1.00 0.00 N ATOM 132 CA VAL A -10 2.142 29.403 19.146 1.00 0.00 C ATOM 133 C VAL A -10 2.608 28.444 20.236 1.00 0.00 C ATOM 134 O VAL A -10 1.985 27.410 20.473 1.00 0.00 O ATOM 135 CB VAL A -10 3.002 29.186 17.887 1.00 0.00 C ATOM 136 CG1 VAL A -10 2.767 27.797 17.311 1.00 0.00 C ATOM 137 CG2 VAL A -10 2.709 30.258 16.849 1.00 0.00 C ATOM 0 H VAL A -10 2.975 31.325 19.207 1.00 0.00 H new ATOM 0 HA VAL A -10 1.099 29.197 18.904 1.00 0.00 H new ATOM 0 HB VAL A -10 4.052 29.263 18.169 1.00 0.00 H new ATOM 0 HG11 VAL A -10 3.383 27.663 16.422 1.00 0.00 H new ATOM 0 HG12 VAL A -10 3.033 27.045 18.054 1.00 0.00 H new ATOM 0 HG13 VAL A -10 1.716 27.687 17.044 1.00 0.00 H new ATOM 0 HG21 VAL A -10 3.326 30.088 15.967 1.00 0.00 H new ATOM 0 HG22 VAL A -10 1.656 30.216 16.569 1.00 0.00 H new ATOM 0 HG23 VAL A -10 2.934 31.240 17.266 1.00 0.00 H new ATOM 147 N LYS A -9 3.708 28.795 20.894 1.00 0.00 N ATOM 148 CA LYS A -9 4.262 27.967 21.960 1.00 0.00 C ATOM 149 C LYS A -9 3.223 27.705 23.046 1.00 0.00 C ATOM 150 O LYS A -9 3.250 26.666 23.706 1.00 0.00 O ATOM 151 CB LYS A -9 5.495 28.638 22.568 1.00 0.00 C ATOM 152 CG LYS A -9 6.762 28.431 21.755 1.00 0.00 C ATOM 153 CD LYS A -9 7.111 29.666 20.936 1.00 0.00 C ATOM 154 CE LYS A -9 8.423 30.285 21.388 1.00 0.00 C ATOM 155 NZ LYS A -9 8.386 30.680 22.823 1.00 0.00 N ATOM 0 H LYS A -9 4.234 29.649 20.708 1.00 0.00 H new ATOM 0 HA LYS A -9 4.554 27.011 21.526 1.00 0.00 H new ATOM 0 HB2 LYS A -9 5.306 29.707 22.665 1.00 0.00 H new ATOM 0 HB3 LYS A -9 5.651 28.249 23.574 1.00 0.00 H new ATOM 0 HG2 LYS A -9 7.589 28.192 22.424 1.00 0.00 H new ATOM 0 HG3 LYS A -9 6.633 27.577 21.090 1.00 0.00 H new ATOM 0 HD2 LYS A -9 7.179 29.397 19.882 1.00 0.00 H new ATOM 0 HD3 LYS A -9 6.311 30.401 21.026 1.00 0.00 H new ATOM 0 HE2 LYS A -9 9.234 29.574 21.228 1.00 0.00 H new ATOM 0 HE3 LYS A -9 8.641 31.160 20.776 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 9.108 31.407 23.002 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 7.446 31.061 23.054 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 8.577 29.848 23.417 1.00 0.00 H new ATOM 169 N GLU A -8 2.309 28.651 23.226 1.00 0.00 N ATOM 170 CA GLU A -8 1.261 28.521 24.231 1.00 0.00 C ATOM 171 C GLU A -8 0.404 27.290 23.964 1.00 0.00 C ATOM 172 O GLU A -8 0.570 26.252 24.603 1.00 0.00 O ATOM 173 CB GLU A -8 0.389 29.779 24.259 1.00 0.00 C ATOM 174 CG GLU A -8 0.637 30.664 25.470 1.00 0.00 C ATOM 175 CD GLU A -8 1.135 32.046 25.094 1.00 0.00 C ATOM 176 OE1 GLU A -8 0.316 32.866 24.631 1.00 0.00 O ATOM 177 OE2 GLU A -8 2.346 32.306 25.259 1.00 0.00 O ATOM 0 H GLU A -8 2.272 29.517 22.689 1.00 0.00 H new ATOM 0 HA GLU A -8 1.736 28.403 25.205 1.00 0.00 H new ATOM 0 HB2 GLU A -8 0.571 30.357 23.353 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -0.660 29.484 24.244 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -0.287 30.758 26.041 1.00 0.00 H new ATOM 0 HG3 GLU A -8 1.367 30.184 26.122 1.00 0.00 H new ATOM 184 N MET A -7 -0.509 27.421 23.016 1.00 0.00 N ATOM 185 CA MET A -7 -1.406 26.330 22.646 1.00 0.00 C ATOM 186 C MET A -7 -0.625 25.049 22.354 1.00 0.00 C ATOM 187 O MET A -7 -1.139 23.942 22.530 1.00 0.00 O ATOM 188 CB MET A -7 -2.240 26.724 21.424 1.00 0.00 C ATOM 189 CG MET A -7 -3.740 26.642 21.660 1.00 0.00 C ATOM 190 SD MET A -7 -4.385 24.970 21.459 1.00 0.00 S ATOM 191 CE MET A -7 -4.016 24.671 19.732 1.00 0.00 C ATOM 0 H MET A -7 -0.652 28.279 22.482 1.00 0.00 H new ATOM 0 HA MET A -7 -2.071 26.139 23.488 1.00 0.00 H new ATOM 0 HB2 MET A -7 -1.982 27.742 21.131 1.00 0.00 H new ATOM 0 HB3 MET A -7 -1.976 26.075 20.589 1.00 0.00 H new ATOM 0 HG2 MET A -7 -3.965 26.996 22.666 1.00 0.00 H new ATOM 0 HG3 MET A -7 -4.250 27.310 20.966 1.00 0.00 H new ATOM 0 HE1 MET A -7 -4.727 23.950 19.328 1.00 0.00 H new ATOM 0 HE2 MET A -7 -4.092 25.606 19.177 1.00 0.00 H new ATOM 0 HE3 MET A -7 -3.005 24.275 19.639 1.00 0.00 H new ATOM 201 N LYS A -6 0.618 25.209 21.907 1.00 0.00 N ATOM 202 CA LYS A -6 1.471 24.069 21.588 1.00 0.00 C ATOM 203 C LYS A -6 1.563 23.106 22.767 1.00 0.00 C ATOM 204 O LYS A -6 1.061 21.984 22.701 1.00 0.00 O ATOM 205 CB LYS A -6 2.871 24.546 21.196 1.00 0.00 C ATOM 206 CG LYS A -6 3.750 23.448 20.621 1.00 0.00 C ATOM 207 CD LYS A -6 3.315 23.063 19.217 1.00 0.00 C ATOM 208 CE LYS A -6 3.401 24.245 18.263 1.00 0.00 C ATOM 209 NZ LYS A -6 3.915 23.841 16.925 1.00 0.00 N ATOM 0 H LYS A -6 1.057 26.118 21.758 1.00 0.00 H new ATOM 0 HA LYS A -6 1.024 23.541 20.746 1.00 0.00 H new ATOM 0 HB2 LYS A -6 2.780 25.348 20.463 1.00 0.00 H new ATOM 0 HB3 LYS A -6 3.360 24.969 22.073 1.00 0.00 H new ATOM 0 HG2 LYS A -6 4.787 23.783 20.602 1.00 0.00 H new ATOM 0 HG3 LYS A -6 3.710 22.572 21.268 1.00 0.00 H new ATOM 0 HD2 LYS A -6 3.943 22.251 18.850 1.00 0.00 H new ATOM 0 HD3 LYS A -6 2.292 22.688 19.242 1.00 0.00 H new ATOM 0 HE2 LYS A -6 2.414 24.695 18.152 1.00 0.00 H new ATOM 0 HE3 LYS A -6 4.054 25.008 18.688 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 3.959 24.674 16.304 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 4.867 23.435 17.027 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 3.279 23.132 16.508 1.00 0.00 H new ATOM 223 N GLN A -5 2.205 23.548 23.845 1.00 0.00 N ATOM 224 CA GLN A -5 2.355 22.718 25.030 1.00 0.00 C ATOM 225 C GLN A -5 1.142 22.824 25.950 1.00 0.00 C ATOM 226 O GLN A -5 1.206 22.458 27.123 1.00 0.00 O ATOM 227 CB GLN A -5 3.591 23.151 25.797 1.00 0.00 C ATOM 228 CG GLN A -5 4.899 22.786 25.113 1.00 0.00 C ATOM 229 CD GLN A -5 5.503 23.950 24.352 1.00 0.00 C ATOM 230 OE1 GLN A -5 5.773 25.006 24.922 1.00 0.00 O ATOM 231 NE2 GLN A -5 5.716 23.760 23.054 1.00 0.00 N ATOM 0 H GLN A -5 2.627 24.473 23.920 1.00 0.00 H new ATOM 0 HA GLN A -5 2.448 21.683 24.702 1.00 0.00 H new ATOM 0 HB2 GLN A -5 3.557 24.231 25.942 1.00 0.00 H new ATOM 0 HB3 GLN A -5 3.570 22.696 26.787 1.00 0.00 H new ATOM 0 HG2 GLN A -5 5.611 22.437 25.861 1.00 0.00 H new ATOM 0 HG3 GLN A -5 4.727 21.958 24.426 1.00 0.00 H new ATOM 0 HE21 GLN A -5 5.476 22.867 22.623 1.00 0.00 H new ATOM 0 HE22 GLN A -5 6.119 24.507 22.489 1.00 0.00 H new ATOM 240 N LEU A -4 0.041 23.314 25.408 1.00 0.00 N ATOM 241 CA LEU A -4 -1.193 23.457 26.169 1.00 0.00 C ATOM 242 C LEU A -4 -2.030 22.193 26.069 1.00 0.00 C ATOM 243 O LEU A -4 -2.510 21.662 27.071 1.00 0.00 O ATOM 244 CB LEU A -4 -1.994 24.662 25.670 1.00 0.00 C ATOM 245 CG LEU A -4 -2.561 25.563 26.770 1.00 0.00 C ATOM 246 CD1 LEU A -4 -2.530 27.020 26.335 1.00 0.00 C ATOM 247 CD2 LEU A -4 -3.978 25.142 27.126 1.00 0.00 C ATOM 0 H LEU A -4 -0.026 23.622 24.438 1.00 0.00 H new ATOM 0 HA LEU A -4 -0.933 23.620 27.215 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -1.354 25.262 25.024 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -2.819 24.302 25.055 1.00 0.00 H new ATOM 0 HG LEU A -4 -1.938 25.456 27.658 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -2.937 27.646 27.129 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -1.501 27.317 26.130 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -3.130 27.143 25.433 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -4.365 25.793 27.910 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -4.613 25.219 26.243 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -3.973 24.111 27.481 1.00 0.00 H new ATOM 259 N HIS A -3 -2.196 21.721 24.846 1.00 0.00 N ATOM 260 CA HIS A -3 -2.971 20.515 24.582 1.00 0.00 C ATOM 261 C HIS A -3 -2.353 19.303 25.273 1.00 0.00 C ATOM 262 O HIS A -3 -3.026 18.301 25.508 1.00 0.00 O ATOM 263 CB HIS A -3 -3.068 20.265 23.076 1.00 0.00 C ATOM 264 CG HIS A -3 -4.234 19.412 22.684 1.00 0.00 C ATOM 265 ND1 HIS A -3 -4.121 18.324 21.845 1.00 0.00 N ATOM 266 CD2 HIS A -3 -5.543 19.491 23.020 1.00 0.00 C ATOM 267 CE1 HIS A -3 -5.310 17.770 21.681 1.00 0.00 C ATOM 268 NE2 HIS A -3 -6.190 18.459 22.384 1.00 0.00 N ATOM 0 H HIS A -3 -1.802 22.157 24.012 1.00 0.00 H new ATOM 0 HA HIS A -3 -3.973 20.665 24.984 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -3.140 21.223 22.561 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -2.149 19.788 22.735 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -5.995 20.228 23.667 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -5.525 16.902 21.075 1.00 0.00 H new ATOM 0 HE2 HIS A -3 -7.188 18.258 22.445 1.00 0.00 H new ATOM 277 N GLY A -2 -1.068 19.403 25.594 1.00 0.00 N ATOM 278 CA GLY A -2 -0.380 18.310 26.254 1.00 0.00 C ATOM 279 C GLY A -2 0.869 17.878 25.511 1.00 0.00 C ATOM 280 O GLY A -2 1.982 18.246 25.888 1.00 0.00 O ATOM 0 H GLY A -2 -0.490 20.223 25.409 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -0.111 18.613 27.266 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -1.057 17.461 26.345 1.00 0.00 H new ATOM 284 N GLY A -1 0.684 17.096 24.453 1.00 0.00 N ATOM 285 CA GLY A -1 1.813 16.626 23.672 1.00 0.00 C ATOM 286 C GLY A -1 1.407 15.616 22.617 1.00 0.00 C ATOM 287 O GLY A -1 1.618 14.414 22.785 1.00 0.00 O ATOM 0 H GLY A -1 -0.227 16.779 24.122 1.00 0.00 H new ATOM 0 HA2 GLY A -1 2.297 17.476 23.190 1.00 0.00 H new ATOM 0 HA3 GLY A -1 2.549 16.176 24.338 1.00 0.00 H new ATOM 291 N VAL A 1 0.823 16.103 21.527 1.00 0.00 N ATOM 292 CA VAL A 1 0.387 15.235 20.441 1.00 0.00 C ATOM 293 C VAL A 1 0.411 15.973 19.105 1.00 0.00 C ATOM 294 O VAL A 1 -0.051 17.109 19.004 1.00 0.00 O ATOM 295 CB VAL A 1 -1.034 14.692 20.693 1.00 0.00 C ATOM 296 CG1 VAL A 1 -2.038 15.831 20.777 1.00 0.00 C ATOM 297 CG2 VAL A 1 -1.430 13.699 19.609 1.00 0.00 C ATOM 0 H VAL A 1 0.641 17.095 21.373 1.00 0.00 H new ATOM 0 HA VAL A 1 1.085 14.399 20.402 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.035 14.169 21.649 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.034 15.426 20.955 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -1.765 16.497 21.596 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -2.035 16.388 19.840 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.436 13.328 19.805 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.409 14.193 18.638 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.729 12.864 19.607 1.00 0.00 H new ATOM 307 N ASN A 2 0.954 15.319 18.083 1.00 0.00 N ATOM 308 CA ASN A 2 1.038 15.913 16.754 1.00 0.00 C ATOM 309 C ASN A 2 0.751 14.872 15.676 1.00 0.00 C ATOM 310 O ASN A 2 1.416 14.835 14.640 1.00 0.00 O ATOM 311 CB ASN A 2 2.423 16.528 16.536 1.00 0.00 C ATOM 312 CG ASN A 2 2.465 17.999 16.903 1.00 0.00 C ATOM 313 OD1 ASN A 2 3.028 18.378 17.930 1.00 0.00 O ATOM 314 ND2 ASN A 2 1.867 18.835 16.063 1.00 0.00 N ATOM 0 H ASN A 2 1.342 14.378 18.150 1.00 0.00 H new ATOM 0 HA ASN A 2 0.286 16.698 16.683 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.157 15.986 17.133 1.00 0.00 H new ATOM 0 HB3 ASN A 2 2.711 16.408 15.492 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.862 19.836 16.257 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.413 18.476 15.223 1.00 0.00 H new ATOM 321 N TYR A 3 -0.249 14.028 15.929 1.00 0.00 N ATOM 322 CA TYR A 3 -0.640 12.978 14.989 1.00 0.00 C ATOM 323 C TYR A 3 0.580 12.266 14.407 1.00 0.00 C ATOM 324 O TYR A 3 0.606 11.922 13.225 1.00 0.00 O ATOM 325 CB TYR A 3 -1.495 13.560 13.860 1.00 0.00 C ATOM 326 CG TYR A 3 -0.889 14.778 13.199 1.00 0.00 C ATOM 327 CD1 TYR A 3 0.018 14.647 12.154 1.00 0.00 C ATOM 328 CD2 TYR A 3 -1.224 16.059 13.620 1.00 0.00 C ATOM 329 CE1 TYR A 3 0.573 15.757 11.548 1.00 0.00 C ATOM 330 CE2 TYR A 3 -0.673 17.174 13.019 1.00 0.00 C ATOM 331 CZ TYR A 3 0.225 17.018 11.984 1.00 0.00 C ATOM 332 OH TYR A 3 0.777 18.127 11.383 1.00 0.00 O ATOM 0 H TYR A 3 -0.806 14.052 16.783 1.00 0.00 H new ATOM 0 HA TYR A 3 -1.229 12.245 15.541 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -1.655 12.790 13.105 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.475 13.824 14.258 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.293 13.661 11.810 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.927 16.185 14.430 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.276 15.638 10.737 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.944 18.163 13.358 1.00 0.00 H new ATOM 0 HH TYR A 3 0.426 18.938 11.807 1.00 0.00 H new ATOM 342 N GLY A 4 1.585 12.048 15.247 1.00 0.00 N ATOM 343 CA GLY A 4 2.792 11.378 14.801 1.00 0.00 C ATOM 344 C GLY A 4 3.552 10.723 15.940 1.00 0.00 C ATOM 345 O GLY A 4 4.756 10.488 15.834 1.00 0.00 O ATOM 0 H GLY A 4 1.586 12.323 16.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.531 10.621 14.061 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.441 12.099 14.304 1.00 0.00 H new ATOM 349 N ASN A 5 2.851 10.431 17.032 1.00 0.00 N ATOM 350 CA ASN A 5 3.474 9.803 18.193 1.00 0.00 C ATOM 351 C ASN A 5 2.816 8.465 18.524 1.00 0.00 C ATOM 352 O ASN A 5 3.400 7.634 19.220 1.00 0.00 O ATOM 353 CB ASN A 5 3.396 10.735 19.403 1.00 0.00 C ATOM 354 CG ASN A 5 4.372 10.346 20.496 1.00 0.00 C ATOM 355 OD1 ASN A 5 4.886 9.228 20.517 1.00 0.00 O ATOM 356 ND2 ASN A 5 4.633 11.271 21.413 1.00 0.00 N ATOM 0 H ASN A 5 1.854 10.619 17.137 1.00 0.00 H new ATOM 0 HA ASN A 5 4.519 9.615 17.949 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.600 11.757 19.085 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.382 10.722 19.803 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.282 11.067 22.173 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.184 12.185 21.357 1.00 0.00 H new ATOM 363 N GLY A 6 1.601 8.260 18.025 1.00 0.00 N ATOM 364 CA GLY A 6 0.892 7.022 18.285 1.00 0.00 C ATOM 365 C GLY A 6 -0.051 7.131 19.468 1.00 0.00 C ATOM 366 O GLY A 6 0.318 6.804 20.596 1.00 0.00 O ATOM 0 H GLY A 6 1.095 8.930 17.445 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.326 6.738 17.398 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.613 6.226 18.471 1.00 0.00 H new ATOM 370 N VAL A 7 -1.269 7.593 19.209 1.00 0.00 N ATOM 371 CA VAL A 7 -2.268 7.746 20.259 1.00 0.00 C ATOM 372 C VAL A 7 -2.841 6.389 20.668 1.00 0.00 C ATOM 373 O VAL A 7 -2.244 5.346 20.401 1.00 0.00 O ATOM 374 CB VAL A 7 -3.404 8.700 19.813 1.00 0.00 C ATOM 375 CG1 VAL A 7 -4.493 7.961 19.046 1.00 0.00 C ATOM 376 CG2 VAL A 7 -3.986 9.445 21.008 1.00 0.00 C ATOM 0 H VAL A 7 -1.588 7.868 18.280 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.774 8.186 21.125 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.969 9.432 19.133 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.271 8.665 18.751 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.063 7.501 18.156 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.925 7.188 19.682 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.782 10.109 20.670 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.390 8.728 21.722 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.203 10.032 21.487 1.00 0.00 H new ATOM 386 N SER A 8 -3.997 6.411 21.316 1.00 0.00 N ATOM 387 CA SER A 8 -4.650 5.187 21.763 1.00 0.00 C ATOM 388 C SER A 8 -5.852 4.858 20.883 1.00 0.00 C ATOM 389 O SER A 8 -6.560 5.754 20.422 1.00 0.00 O ATOM 390 CB SER A 8 -5.093 5.323 23.221 1.00 0.00 C ATOM 391 OG SER A 8 -4.863 4.123 23.940 1.00 0.00 O ATOM 0 H SER A 8 -4.504 7.266 21.545 1.00 0.00 H new ATOM 0 HA SER A 8 -3.931 4.372 21.684 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.552 6.143 23.693 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.152 5.576 23.260 1.00 0.00 H new ATOM 0 HG SER A 8 -5.153 4.238 24.869 1.00 0.00 H new ATOM 397 N CYS A 9 -6.075 3.567 20.652 1.00 0.00 N ATOM 398 CA CYS A 9 -7.191 3.120 19.826 1.00 0.00 C ATOM 399 C CYS A 9 -8.335 2.603 20.691 1.00 0.00 C ATOM 400 O CYS A 9 -8.195 1.594 21.383 1.00 0.00 O ATOM 401 CB CYS A 9 -6.735 2.023 18.860 1.00 0.00 C ATOM 402 SG CYS A 9 -5.109 2.329 18.093 1.00 0.00 S ATOM 0 H CYS A 9 -5.498 2.813 21.025 1.00 0.00 H new ATOM 0 HA CYS A 9 -7.548 3.975 19.252 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.698 1.075 19.396 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -7.481 1.915 18.073 1.00 0.00 H new ATOM 407 N SER A 10 -9.467 3.298 20.648 1.00 0.00 N ATOM 408 CA SER A 10 -10.635 2.903 21.428 1.00 0.00 C ATOM 409 C SER A 10 -11.924 3.359 20.755 1.00 0.00 C ATOM 410 O SER A 10 -12.209 4.555 20.677 1.00 0.00 O ATOM 411 CB SER A 10 -10.555 3.482 22.840 1.00 0.00 C ATOM 412 OG SER A 10 -9.231 3.425 23.342 1.00 0.00 O ATOM 0 H SER A 10 -9.601 4.136 20.082 1.00 0.00 H new ATOM 0 HA SER A 10 -10.643 1.815 21.488 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.900 4.516 22.832 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.222 2.929 23.501 1.00 0.00 H new ATOM 0 HG SER A 10 -9.207 3.803 24.246 1.00 0.00 H new ATOM 418 N LYS A 11 -12.704 2.395 20.278 1.00 0.00 N ATOM 419 CA LYS A 11 -13.973 2.679 19.617 1.00 0.00 C ATOM 420 C LYS A 11 -13.796 3.534 18.361 1.00 0.00 C ATOM 421 O LYS A 11 -14.778 3.913 17.722 1.00 0.00 O ATOM 422 CB LYS A 11 -14.904 3.381 20.595 1.00 0.00 C ATOM 423 CG LYS A 11 -16.378 3.207 20.271 1.00 0.00 C ATOM 424 CD LYS A 11 -17.256 3.982 21.241 1.00 0.00 C ATOM 425 CE LYS A 11 -17.739 3.099 22.381 1.00 0.00 C ATOM 426 NZ LYS A 11 -19.061 2.478 22.086 1.00 0.00 N ATOM 0 H LYS A 11 -12.477 1.402 20.338 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.403 1.729 19.301 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.715 3.001 21.599 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.667 4.445 20.607 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.571 3.546 19.253 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.638 2.149 20.309 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.697 4.826 21.645 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.114 4.393 20.709 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.005 2.316 22.569 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.813 3.692 23.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.353 1.885 22.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.769 3.224 21.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.986 1.891 21.231 1.00 0.00 H new ATOM 440 N THR A 12 -12.552 3.837 18.007 1.00 0.00 N ATOM 441 CA THR A 12 -12.272 4.642 16.831 1.00 0.00 C ATOM 442 C THR A 12 -10.910 4.298 16.238 1.00 0.00 C ATOM 443 O THR A 12 -10.273 3.325 16.640 1.00 0.00 O ATOM 444 CB THR A 12 -12.341 6.120 17.177 1.00 0.00 C ATOM 445 OG1 THR A 12 -12.238 6.920 16.012 1.00 0.00 O ATOM 446 CG2 THR A 12 -11.249 6.527 18.115 1.00 0.00 C ATOM 0 H THR A 12 -11.723 3.536 18.520 1.00 0.00 H new ATOM 0 HA THR A 12 -13.030 4.419 16.080 1.00 0.00 H new ATOM 0 HB THR A 12 -13.307 6.275 17.658 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.287 7.867 16.260 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.336 7.591 18.335 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.333 5.957 19.040 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.281 6.330 17.654 1.00 0.00 H new ATOM 454 N LYS A 13 -10.467 5.107 15.280 1.00 0.00 N ATOM 455 CA LYS A 13 -9.181 4.891 14.633 1.00 0.00 C ATOM 456 C LYS A 13 -8.036 5.132 15.615 1.00 0.00 C ATOM 457 O LYS A 13 -8.247 5.188 16.827 1.00 0.00 O ATOM 458 CB LYS A 13 -9.038 5.814 13.418 1.00 0.00 C ATOM 459 CG LYS A 13 -8.867 5.066 12.106 1.00 0.00 C ATOM 460 CD LYS A 13 -10.155 5.055 11.297 1.00 0.00 C ATOM 461 CE LYS A 13 -10.952 3.783 11.536 1.00 0.00 C ATOM 462 NZ LYS A 13 -10.773 2.798 10.433 1.00 0.00 N ATOM 0 H LYS A 13 -10.981 5.918 14.936 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.135 3.855 14.297 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.919 6.453 13.351 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.180 6.469 13.568 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.073 5.532 11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.555 4.041 12.308 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.761 5.921 11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.920 5.145 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.642 3.332 12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.009 4.030 11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.333 1.945 10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.093 3.218 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.768 2.542 10.356 1.00 0.00 H new ATOM 476 N CYS A 14 -6.825 5.272 15.086 1.00 0.00 N ATOM 477 CA CYS A 14 -5.657 5.504 15.880 1.00 0.00 C ATOM 478 C CYS A 14 -4.978 6.773 15.378 1.00 0.00 C ATOM 479 O CYS A 14 -5.634 7.779 15.109 1.00 0.00 O ATOM 480 CB CYS A 14 -4.726 4.287 15.810 1.00 0.00 C ATOM 481 SG CYS A 14 -5.552 2.700 16.147 1.00 0.00 S ATOM 0 H CYS A 14 -6.641 5.225 14.084 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.923 5.643 16.928 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.273 4.246 14.819 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.915 4.422 16.526 1.00 0.00 H new ATOM 486 N SER A 15 -3.673 6.715 15.259 1.00 0.00 N ATOM 487 CA SER A 15 -2.884 7.849 14.793 1.00 0.00 C ATOM 488 C SER A 15 -1.907 7.420 13.704 1.00 0.00 C ATOM 489 O SER A 15 -1.561 6.243 13.596 1.00 0.00 O ATOM 490 CB SER A 15 -2.121 8.481 15.959 1.00 0.00 C ATOM 491 OG SER A 15 -1.720 9.804 15.650 1.00 0.00 O ATOM 0 H SER A 15 -3.122 5.886 15.480 1.00 0.00 H new ATOM 0 HA SER A 15 -3.567 8.587 14.373 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.751 8.487 16.849 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.244 7.877 16.193 1.00 0.00 H new ATOM 0 HG SER A 15 -1.236 10.186 16.412 1.00 0.00 H new ATOM 497 N VAL A 16 -1.468 8.381 12.897 1.00 0.00 N ATOM 498 CA VAL A 16 -0.533 8.100 11.814 1.00 0.00 C ATOM 499 C VAL A 16 0.911 8.262 12.274 1.00 0.00 C ATOM 500 O VAL A 16 1.186 8.937 13.267 1.00 0.00 O ATOM 501 CB VAL A 16 -0.780 9.021 10.605 1.00 0.00 C ATOM 502 CG1 VAL A 16 0.054 8.576 9.414 1.00 0.00 C ATOM 503 CG2 VAL A 16 -2.259 9.048 10.248 1.00 0.00 C ATOM 0 H VAL A 16 -1.745 9.360 12.973 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.701 7.065 11.515 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.475 10.032 10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.134 9.239 8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.111 8.613 9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.216 7.556 9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.415 9.704 9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.592 8.040 9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.832 9.419 11.098 1.00 0.00 H new ATOM 513 N ASN A 17 1.831 7.640 11.543 1.00 0.00 N ATOM 514 CA ASN A 17 3.250 7.714 11.871 1.00 0.00 C ATOM 515 C ASN A 17 4.057 8.170 10.660 1.00 0.00 C ATOM 516 O ASN A 17 4.777 7.382 10.046 1.00 0.00 O ATOM 517 CB ASN A 17 3.755 6.353 12.354 1.00 0.00 C ATOM 518 CG ASN A 17 3.145 5.950 13.683 1.00 0.00 C ATOM 519 OD1 ASN A 17 3.530 6.459 14.736 1.00 0.00 O ATOM 520 ND2 ASN A 17 2.189 5.029 13.641 1.00 0.00 N ATOM 0 H ASN A 17 1.618 7.078 10.718 1.00 0.00 H new ATOM 0 HA ASN A 17 3.379 8.443 12.671 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.522 5.595 11.606 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.840 6.384 12.450 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.743 4.717 14.504 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.901 4.634 12.746 1.00 0.00 H new ATOM 527 N TRP A 18 3.928 9.448 10.318 1.00 0.00 N ATOM 528 CA TRP A 18 4.637 10.012 9.178 1.00 0.00 C ATOM 529 C TRP A 18 6.149 10.031 9.405 1.00 0.00 C ATOM 530 O TRP A 18 6.917 10.255 8.472 1.00 0.00 O ATOM 531 CB TRP A 18 4.132 11.428 8.887 1.00 0.00 C ATOM 532 CG TRP A 18 3.417 11.545 7.575 1.00 0.00 C ATOM 533 CD1 TRP A 18 2.475 10.692 7.077 1.00 0.00 C ATOM 534 CD2 TRP A 18 3.589 12.574 6.593 1.00 0.00 C ATOM 535 NE1 TRP A 18 2.049 11.128 5.845 1.00 0.00 N ATOM 536 CE2 TRP A 18 2.718 12.280 5.526 1.00 0.00 C ATOM 537 CE3 TRP A 18 4.393 13.714 6.512 1.00 0.00 C ATOM 538 CZ2 TRP A 18 2.629 13.086 4.394 1.00 0.00 C ATOM 539 CZ3 TRP A 18 4.304 14.513 5.388 1.00 0.00 C ATOM 540 CH2 TRP A 18 3.428 14.196 4.342 1.00 0.00 C ATOM 0 H TRP A 18 3.337 10.113 10.817 1.00 0.00 H new ATOM 0 HA TRP A 18 4.437 9.374 8.317 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.461 11.738 9.688 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.977 12.116 8.895 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.117 9.805 7.578 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.349 10.668 5.263 1.00 0.00 H new ATOM 0 HE3 TRP A 18 5.072 13.966 7.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.954 12.844 3.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.920 15.397 5.315 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.382 14.841 3.477 1.00 0.00 H new ATOM 551 N GLY A 19 6.571 9.793 10.645 1.00 0.00 N ATOM 552 CA GLY A 19 7.990 9.785 10.955 1.00 0.00 C ATOM 553 C GLY A 19 8.515 8.383 11.192 1.00 0.00 C ATOM 554 O GLY A 19 9.400 7.907 10.475 1.00 0.00 O ATOM 0 H GLY A 19 5.957 9.606 11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.542 10.244 10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.170 10.394 11.841 1.00 0.00 H new ATOM 558 N GLN A 20 7.962 7.711 12.195 1.00 0.00 N ATOM 559 CA GLN A 20 8.375 6.352 12.515 1.00 0.00 C ATOM 560 C GLN A 20 8.251 5.457 11.291 1.00 0.00 C ATOM 561 O GLN A 20 9.252 4.943 10.791 1.00 0.00 O ATOM 562 CB GLN A 20 7.536 5.792 13.665 1.00 0.00 C ATOM 563 CG GLN A 20 7.961 6.302 15.032 1.00 0.00 C ATOM 564 CD GLN A 20 9.313 5.765 15.461 1.00 0.00 C ATOM 565 OE1 GLN A 20 10.378 6.425 15.020 1.00 0.00 O flip ATOM 566 NE2 GLN A 20 9.398 4.770 16.180 1.00 0.00 N flip ATOM 0 H GLN A 20 7.229 8.084 12.798 1.00 0.00 H new ATOM 0 HA GLN A 20 9.419 6.376 12.827 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.490 6.049 13.499 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.602 4.704 13.656 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.996 7.391 15.014 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.211 6.019 15.770 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.552 4.295 16.495 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.314 4.421 16.461 1.00 0.00 H new ATOM 575 N ALA A 21 7.027 5.277 10.796 1.00 0.00 N ATOM 576 CA ALA A 21 6.826 4.446 9.618 1.00 0.00 C ATOM 577 C ALA A 21 7.478 5.038 8.387 1.00 0.00 C ATOM 578 O ALA A 21 7.542 4.408 7.332 1.00 0.00 O ATOM 579 CB ALA A 21 5.361 4.141 9.374 1.00 0.00 C ATOM 0 H ALA A 21 6.178 5.687 11.185 1.00 0.00 H new ATOM 0 HA ALA A 21 7.322 3.497 9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.262 3.519 8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.951 3.612 10.234 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.815 5.073 9.227 1.00 0.00 H new ATOM 585 N PHE A 22 8.005 6.227 8.552 1.00 0.00 N ATOM 586 CA PHE A 22 8.718 6.900 7.482 1.00 0.00 C ATOM 587 C PHE A 22 9.998 6.128 7.243 1.00 0.00 C ATOM 588 O PHE A 22 10.394 5.866 6.109 1.00 0.00 O ATOM 589 CB PHE A 22 9.028 8.352 7.854 1.00 0.00 C ATOM 590 CG PHE A 22 8.871 9.312 6.709 1.00 0.00 C ATOM 591 CD1 PHE A 22 7.685 9.372 5.994 1.00 0.00 C ATOM 592 CD2 PHE A 22 9.911 10.154 6.347 1.00 0.00 C ATOM 593 CE1 PHE A 22 7.540 10.254 4.940 1.00 0.00 C ATOM 594 CE2 PHE A 22 9.771 11.039 5.295 1.00 0.00 C ATOM 595 CZ PHE A 22 8.584 11.088 4.590 1.00 0.00 C ATOM 0 H PHE A 22 7.955 6.756 9.423 1.00 0.00 H new ATOM 0 HA PHE A 22 8.107 6.928 6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.370 8.659 8.667 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.049 8.412 8.230 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.865 8.722 6.264 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.842 10.118 6.894 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.611 10.291 4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.588 11.691 5.024 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.472 11.777 3.766 1.00 0.00 H new ATOM 605 N GLN A 23 10.607 5.723 8.353 1.00 0.00 N ATOM 606 CA GLN A 23 11.814 4.922 8.323 1.00 0.00 C ATOM 607 C GLN A 23 11.456 3.487 7.938 1.00 0.00 C ATOM 608 O GLN A 23 12.291 2.738 7.429 1.00 0.00 O ATOM 609 CB GLN A 23 12.496 4.951 9.695 1.00 0.00 C ATOM 610 CG GLN A 23 13.719 5.852 9.747 1.00 0.00 C ATOM 611 CD GLN A 23 14.452 5.764 11.072 1.00 0.00 C ATOM 612 OE1 GLN A 23 15.307 4.901 11.265 1.00 0.00 O ATOM 613 NE2 GLN A 23 14.120 6.662 11.992 1.00 0.00 N ATOM 0 H GLN A 23 10.275 5.943 9.292 1.00 0.00 H new ATOM 0 HA GLN A 23 12.505 5.330 7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.776 5.286 10.442 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.790 3.937 9.967 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.400 5.581 8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.413 6.884 9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.405 7.360 11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.580 6.654 12.902 1.00 0.00 H new ATOM 622 N GLU A 24 10.195 3.119 8.183 1.00 0.00 N ATOM 623 CA GLU A 24 9.694 1.789 7.868 1.00 0.00 C ATOM 624 C GLU A 24 9.503 1.616 6.364 1.00 0.00 C ATOM 625 O GLU A 24 10.142 0.770 5.739 1.00 0.00 O ATOM 626 CB GLU A 24 8.369 1.534 8.588 1.00 0.00 C ATOM 627 CG GLU A 24 8.512 1.410 10.097 1.00 0.00 C ATOM 628 CD GLU A 24 9.161 0.105 10.516 1.00 0.00 C ATOM 629 OE1 GLU A 24 10.309 -0.148 10.096 1.00 0.00 O ATOM 630 OE2 GLU A 24 8.520 -0.663 11.264 1.00 0.00 O ATOM 0 H GLU A 24 9.500 3.736 8.604 1.00 0.00 H new ATOM 0 HA GLU A 24 10.434 1.065 8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.680 2.347 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.922 0.620 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.106 2.244 10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.528 1.487 10.559 1.00 0.00 H new ATOM 637 N ARG A 25 8.614 2.423 5.792 1.00 0.00 N ATOM 638 CA ARG A 25 8.330 2.362 4.362 1.00 0.00 C ATOM 639 C ARG A 25 9.606 2.499 3.539 1.00 0.00 C ATOM 640 O ARG A 25 9.699 1.980 2.427 1.00 0.00 O ATOM 641 CB ARG A 25 7.337 3.457 3.969 1.00 0.00 C ATOM 642 CG ARG A 25 5.920 3.195 4.454 1.00 0.00 C ATOM 643 CD ARG A 25 4.939 4.204 3.880 1.00 0.00 C ATOM 644 NE ARG A 25 3.553 3.775 4.049 1.00 0.00 N ATOM 645 CZ ARG A 25 2.531 4.276 3.356 1.00 0.00 C ATOM 646 NH1 ARG A 25 2.737 5.220 2.446 1.00 0.00 N ATOM 647 NH2 ARG A 25 1.302 3.829 3.573 1.00 0.00 N ATOM 0 H ARG A 25 8.077 3.128 6.298 1.00 0.00 H new ATOM 0 HA ARG A 25 7.890 1.387 4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.680 4.409 4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.328 3.556 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.617 2.188 4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.893 3.239 5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.083 5.168 4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.147 4.350 2.820 1.00 0.00 H new ATOM 0 HE ARG A 25 3.356 3.049 4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.681 5.565 2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.951 5.600 1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.139 3.102 4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.519 4.212 3.043 1.00 0.00 H new ATOM 661 N TYR A 26 10.585 3.195 4.097 1.00 0.00 N ATOM 662 CA TYR A 26 11.859 3.397 3.420 1.00 0.00 C ATOM 663 C TYR A 26 12.582 2.067 3.236 1.00 0.00 C ATOM 664 O TYR A 26 13.105 1.776 2.161 1.00 0.00 O ATOM 665 CB TYR A 26 12.737 4.368 4.212 1.00 0.00 C ATOM 666 CG TYR A 26 13.507 5.335 3.341 1.00 0.00 C ATOM 667 CD1 TYR A 26 14.166 4.898 2.198 1.00 0.00 C ATOM 668 CD2 TYR A 26 13.574 6.686 3.661 1.00 0.00 C ATOM 669 CE1 TYR A 26 14.870 5.778 1.400 1.00 0.00 C ATOM 670 CE2 TYR A 26 14.276 7.572 2.867 1.00 0.00 C ATOM 671 CZ TYR A 26 14.922 7.114 1.738 1.00 0.00 C ATOM 672 OH TYR A 26 15.622 7.994 0.944 1.00 0.00 O ATOM 0 H TYR A 26 10.522 3.630 5.017 1.00 0.00 H new ATOM 0 HA TYR A 26 11.661 3.826 2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.109 4.933 4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.441 3.797 4.817 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.127 3.853 1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 26 13.069 7.049 4.544 1.00 0.00 H new ATOM 0 HE1 TYR A 26 15.377 5.422 0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.319 8.619 3.129 1.00 0.00 H new ATOM 0 HH TYR A 26 15.558 8.896 1.321 1.00 0.00 H new ATOM 682 N THR A 27 12.601 1.264 4.294 1.00 0.00 N ATOM 683 CA THR A 27 13.253 -0.039 4.253 1.00 0.00 C ATOM 684 C THR A 27 12.385 -1.053 3.515 1.00 0.00 C ATOM 685 O THR A 27 12.878 -1.826 2.693 1.00 0.00 O ATOM 686 CB THR A 27 13.541 -0.530 5.674 1.00 0.00 C ATOM 687 OG1 THR A 27 14.377 0.385 6.359 1.00 0.00 O ATOM 688 CG2 THR A 27 14.215 -1.884 5.716 1.00 0.00 C ATOM 0 H THR A 27 12.172 1.493 5.191 1.00 0.00 H new ATOM 0 HA THR A 27 14.195 0.065 3.715 1.00 0.00 H new ATOM 0 HB THR A 27 12.566 -0.613 6.154 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.834 1.114 6.724 1.00 0.00 H new ATOM 0 HG21 THR A 27 14.390 -2.171 6.753 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.574 -2.624 5.237 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.167 -1.833 5.188 1.00 0.00 H new ATOM 696 N ALA A 28 11.090 -1.043 3.813 1.00 0.00 N ATOM 697 CA ALA A 28 10.153 -1.959 3.179 1.00 0.00 C ATOM 698 C ALA A 28 10.014 -1.656 1.691 1.00 0.00 C ATOM 699 O ALA A 28 9.778 -2.554 0.883 1.00 0.00 O ATOM 700 CB ALA A 28 8.797 -1.885 3.864 1.00 0.00 C ATOM 0 H ALA A 28 10.666 -0.409 4.491 1.00 0.00 H new ATOM 0 HA ALA A 28 10.544 -2.971 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.106 -2.575 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.905 -2.157 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.407 -0.870 3.790 1.00 0.00 H new ATOM 706 N GLY A 29 10.163 -0.384 1.336 1.00 0.00 N ATOM 707 CA GLY A 29 10.052 0.017 -0.054 1.00 0.00 C ATOM 708 C GLY A 29 11.197 -0.502 -0.901 1.00 0.00 C ATOM 709 O GLY A 29 10.976 -1.143 -1.928 1.00 0.00 O ATOM 0 H GLY A 29 10.359 0.377 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.109 -0.349 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.024 1.105 -0.114 1.00 0.00 H new ATOM 713 N ILE A 30 12.422 -0.226 -0.468 1.00 0.00 N ATOM 714 CA ILE A 30 13.606 -0.671 -1.195 1.00 0.00 C ATOM 715 C ILE A 30 13.633 -2.191 -1.320 1.00 0.00 C ATOM 716 O ILE A 30 14.168 -2.733 -2.287 1.00 0.00 O ATOM 717 CB ILE A 30 14.901 -0.192 -0.506 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.895 1.330 -0.370 1.00 0.00 C ATOM 719 CG2 ILE A 30 16.124 -0.653 -1.287 1.00 0.00 C ATOM 720 CD1 ILE A 30 16.068 1.869 0.420 1.00 0.00 C ATOM 0 H ILE A 30 12.621 0.303 0.381 1.00 0.00 H new ATOM 0 HA ILE A 30 13.554 -0.231 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 30 14.947 -0.630 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.901 1.776 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.968 1.640 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.028 -0.306 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.133 -1.742 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.088 -0.242 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 30 16.000 2.955 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.051 1.451 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 30 16.999 1.589 -0.074 1.00 0.00 H new ATOM 732 N ASN A 31 13.053 -2.874 -0.339 1.00 0.00 N ATOM 733 CA ASN A 31 13.010 -4.333 -0.345 1.00 0.00 C ATOM 734 C ASN A 31 12.372 -4.851 -1.629 1.00 0.00 C ATOM 735 O ASN A 31 12.982 -5.620 -2.371 1.00 0.00 O ATOM 736 CB ASN A 31 12.232 -4.848 0.868 1.00 0.00 C ATOM 737 CG ASN A 31 13.060 -4.820 2.138 1.00 0.00 C ATOM 738 OD1 ASN A 31 14.200 -4.355 2.141 1.00 0.00 O ATOM 739 ND2 ASN A 31 12.488 -5.321 3.227 1.00 0.00 N ATOM 0 H ASN A 31 12.606 -2.442 0.470 1.00 0.00 H new ATOM 0 HA ASN A 31 14.034 -4.702 -0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.337 -4.241 1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.899 -5.868 0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.996 -5.331 4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.541 -5.696 3.179 1.00 0.00 H new ATOM 746 N SER A 32 11.142 -4.419 -1.890 1.00 0.00 N ATOM 747 CA SER A 32 10.426 -4.835 -3.087 1.00 0.00 C ATOM 748 C SER A 32 11.175 -4.394 -4.340 1.00 0.00 C ATOM 749 O SER A 32 11.144 -5.073 -5.367 1.00 0.00 O ATOM 750 CB SER A 32 9.012 -4.250 -3.093 1.00 0.00 C ATOM 751 OG SER A 32 8.131 -5.037 -2.310 1.00 0.00 O ATOM 0 H SER A 32 10.622 -3.781 -1.287 1.00 0.00 H new ATOM 0 HA SER A 32 10.359 -5.923 -3.083 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.035 -3.231 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.642 -4.194 -4.117 1.00 0.00 H new ATOM 0 HG SER A 32 7.235 -4.641 -2.329 1.00 0.00 H new ATOM 757 N PHE A 33 11.850 -3.253 -4.245 1.00 0.00 N ATOM 758 CA PHE A 33 12.612 -2.718 -5.366 1.00 0.00 C ATOM 759 C PHE A 33 13.773 -3.641 -5.722 1.00 0.00 C ATOM 760 O PHE A 33 13.982 -3.972 -6.890 1.00 0.00 O ATOM 761 CB PHE A 33 13.136 -1.320 -5.029 1.00 0.00 C ATOM 762 CG PHE A 33 12.284 -0.211 -5.579 1.00 0.00 C ATOM 763 CD1 PHE A 33 12.367 0.145 -6.915 1.00 0.00 C ATOM 764 CD2 PHE A 33 11.403 0.474 -4.759 1.00 0.00 C ATOM 765 CE1 PHE A 33 11.584 1.165 -7.424 1.00 0.00 C ATOM 766 CE2 PHE A 33 10.618 1.496 -5.262 1.00 0.00 C ATOM 767 CZ PHE A 33 10.709 1.841 -6.596 1.00 0.00 C ATOM 0 H PHE A 33 11.884 -2.681 -3.401 1.00 0.00 H new ATOM 0 HA PHE A 33 11.949 -2.651 -6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.199 -1.216 -3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 33 14.149 -1.217 -5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.051 -0.380 -7.566 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.328 0.207 -3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.657 1.433 -8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 33 9.935 2.023 -4.612 1.00 0.00 H new ATOM 0 HZ PHE A 33 10.097 2.638 -6.991 1.00 0.00 H new ATOM 777 N VAL A 34 14.526 -4.054 -4.706 1.00 0.00 N ATOM 778 CA VAL A 34 15.666 -4.938 -4.913 1.00 0.00 C ATOM 779 C VAL A 34 15.252 -6.198 -5.663 1.00 0.00 C ATOM 780 O VAL A 34 15.570 -6.355 -6.838 1.00 0.00 O ATOM 781 CB VAL A 34 16.327 -5.332 -3.576 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.589 -6.147 -3.822 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.637 -4.093 -2.748 1.00 0.00 C ATOM 0 H VAL A 34 14.367 -3.791 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 34 16.391 -4.387 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 34 15.627 -5.951 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 34 18.041 -6.415 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.335 -7.054 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.296 -5.556 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.103 -4.390 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.318 -3.446 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.713 -3.554 -2.540 1.00 0.00 H new ATOM 793 N SER A 35 14.554 -7.102 -4.982 1.00 0.00 N ATOM 794 CA SER A 35 14.127 -8.345 -5.590 1.00 0.00 C ATOM 795 C SER A 35 13.468 -8.130 -6.928 1.00 0.00 C ATOM 796 O SER A 35 13.894 -8.716 -7.923 1.00 0.00 O ATOM 797 CB SER A 35 13.175 -9.101 -4.658 1.00 0.00 C ATOM 798 OG SER A 35 11.856 -8.593 -4.758 1.00 0.00 O ATOM 0 H SER A 35 14.275 -6.991 -4.007 1.00 0.00 H new ATOM 0 HA SER A 35 15.024 -8.941 -5.755 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.180 -10.162 -4.910 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.524 -9.016 -3.629 1.00 0.00 H new ATOM 0 HG SER A 35 11.266 -9.093 -4.155 1.00 0.00 H new ATOM 804 N GLY A 36 12.455 -7.286 -6.975 1.00 0.00 N ATOM 805 CA GLY A 36 11.808 -7.024 -8.247 1.00 0.00 C ATOM 806 C GLY A 36 12.836 -7.069 -9.356 1.00 0.00 C ATOM 807 O GLY A 36 12.630 -7.687 -10.400 1.00 0.00 O ATOM 0 H GLY A 36 12.071 -6.784 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.028 -7.764 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.323 -6.048 -8.226 1.00 0.00 H new ATOM 811 N VAL A 37 13.973 -6.434 -9.081 1.00 0.00 N ATOM 812 CA VAL A 37 15.091 -6.406 -9.990 1.00 0.00 C ATOM 813 C VAL A 37 16.067 -7.559 -9.730 1.00 0.00 C ATOM 814 O VAL A 37 16.193 -8.482 -10.535 1.00 0.00 O ATOM 815 CB VAL A 37 15.850 -5.066 -9.891 1.00 0.00 C ATOM 816 CG1 VAL A 37 16.994 -5.018 -10.892 1.00 0.00 C ATOM 817 CG2 VAL A 37 14.898 -3.900 -10.105 1.00 0.00 C ATOM 0 H VAL A 37 14.135 -5.924 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 37 14.681 -6.518 -10.994 1.00 0.00 H new ATOM 0 HB VAL A 37 16.274 -4.985 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.515 -4.064 -10.804 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.690 -5.832 -10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.598 -5.123 -11.902 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.449 -2.962 -10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.444 -3.978 -11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.118 -3.923 -9.344 1.00 0.00 H new ATOM 827 N ALA A 38 16.789 -7.455 -8.609 1.00 0.00 N ATOM 828 CA ALA A 38 17.802 -8.426 -8.224 1.00 0.00 C ATOM 829 C ALA A 38 17.263 -9.656 -7.506 1.00 0.00 C ATOM 830 O ALA A 38 17.235 -10.762 -8.047 1.00 0.00 O ATOM 831 CB ALA A 38 18.851 -7.752 -7.345 1.00 0.00 C ATOM 0 H ALA A 38 16.682 -6.689 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 38 18.234 -8.785 -9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.608 -8.481 -7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.321 -6.939 -7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.374 -7.353 -6.450 1.00 0.00 H new ATOM 837 N SER A 39 16.908 -9.438 -6.248 1.00 0.00 N ATOM 838 CA SER A 39 16.439 -10.483 -5.351 1.00 0.00 C ATOM 839 C SER A 39 15.138 -11.161 -5.797 1.00 0.00 C ATOM 840 O SER A 39 14.608 -12.013 -5.083 1.00 0.00 O ATOM 841 CB SER A 39 16.303 -9.886 -3.956 1.00 0.00 C ATOM 842 OG SER A 39 16.751 -10.793 -2.963 1.00 0.00 O ATOM 0 H SER A 39 16.938 -8.515 -5.815 1.00 0.00 H new ATOM 0 HA SER A 39 17.177 -11.285 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.879 -8.963 -3.895 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.261 -9.624 -3.770 1.00 0.00 H new ATOM 0 HG SER A 39 16.654 -10.383 -2.078 1.00 0.00 H new ATOM 848 N GLY A 40 14.624 -10.790 -6.967 1.00 0.00 N ATOM 849 CA GLY A 40 13.394 -11.391 -7.455 1.00 0.00 C ATOM 850 C GLY A 40 13.619 -12.268 -8.670 1.00 0.00 C ATOM 851 O GLY A 40 12.721 -12.443 -9.493 1.00 0.00 O ATOM 0 H GLY A 40 15.034 -10.088 -7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.944 -11.986 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.683 -10.604 -7.706 1.00 0.00 H new ATOM 855 N ALA A 41 14.822 -12.820 -8.782 1.00 0.00 N ATOM 856 CA ALA A 41 15.166 -13.682 -9.902 1.00 0.00 C ATOM 857 C ALA A 41 14.510 -15.053 -9.771 1.00 0.00 C ATOM 858 O ALA A 41 14.338 -15.767 -10.759 1.00 0.00 O ATOM 859 CB ALA A 41 16.676 -13.826 -10.014 1.00 0.00 C ATOM 0 H ALA A 41 15.576 -12.684 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 41 14.787 -13.216 -10.811 1.00 0.00 H new ATOM 0 HB1 ALA A 41 16.918 -14.474 -10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 41 17.124 -12.845 -10.170 1.00 0.00 H new ATOM 0 HB3 ALA A 41 17.069 -14.263 -9.096 1.00 0.00 H new ATOM 865 N GLY A 42 14.148 -15.415 -8.546 1.00 0.00 N ATOM 866 CA GLY A 42 13.516 -16.700 -8.308 1.00 0.00 C ATOM 867 C GLY A 42 14.513 -17.843 -8.311 1.00 0.00 C ATOM 868 O GLY A 42 14.661 -18.544 -9.312 1.00 0.00 O ATOM 0 H GLY A 42 14.281 -14.842 -7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.998 -16.675 -7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.761 -16.878 -9.074 1.00 0.00 H new ATOM 872 N SER A 43 15.196 -18.031 -7.186 1.00 0.00 N ATOM 873 CA SER A 43 16.185 -19.097 -7.062 1.00 0.00 C ATOM 874 C SER A 43 15.531 -20.425 -6.684 1.00 0.00 C ATOM 875 O SER A 43 16.212 -21.444 -6.563 1.00 0.00 O ATOM 876 CB SER A 43 17.239 -18.721 -6.018 1.00 0.00 C ATOM 877 OG SER A 43 17.514 -17.332 -6.049 1.00 0.00 O ATOM 0 H SER A 43 15.083 -17.460 -6.348 1.00 0.00 H new ATOM 0 HA SER A 43 16.665 -19.220 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.889 -19.004 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.156 -19.281 -6.204 1.00 0.00 H new ATOM 0 HG SER A 43 18.189 -17.117 -5.372 1.00 0.00 H new ATOM 883 N ILE A 44 14.209 -20.410 -6.496 1.00 0.00 N ATOM 884 CA ILE A 44 13.462 -21.614 -6.131 1.00 0.00 C ATOM 885 C ILE A 44 14.189 -22.420 -5.054 1.00 0.00 C ATOM 886 O ILE A 44 14.310 -23.642 -5.149 1.00 0.00 O ATOM 887 CB ILE A 44 13.202 -22.510 -7.362 1.00 0.00 C ATOM 888 CG1 ILE A 44 12.290 -23.682 -6.985 1.00 0.00 C ATOM 889 CG2 ILE A 44 14.512 -23.013 -7.951 1.00 0.00 C ATOM 890 CD1 ILE A 44 10.876 -23.537 -7.505 1.00 0.00 C ATOM 0 H ILE A 44 13.633 -19.574 -6.591 1.00 0.00 H new ATOM 0 HA ILE A 44 12.505 -21.281 -5.730 1.00 0.00 H new ATOM 0 HB ILE A 44 12.699 -21.913 -8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.719 -24.606 -7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 44 12.262 -23.776 -5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.304 -23.642 -8.817 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.123 -22.164 -8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 44 15.049 -23.594 -7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.286 -24.402 -7.201 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.429 -22.631 -7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.893 -23.474 -8.593 1.00 0.00 H new ATOM 902 N GLY A 45 14.671 -21.725 -4.029 1.00 0.00 N ATOM 903 CA GLY A 45 15.378 -22.389 -2.949 1.00 0.00 C ATOM 904 C GLY A 45 14.470 -23.273 -2.119 1.00 0.00 C ATOM 905 O GLY A 45 14.104 -24.369 -2.542 1.00 0.00 O ATOM 0 H GLY A 45 14.585 -20.714 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.186 -22.991 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.838 -21.639 -2.305 1.00 0.00 H new ATOM 909 N ARG A 46 14.105 -22.796 -0.933 1.00 0.00 N ATOM 910 CA ARG A 46 13.234 -23.551 -0.040 1.00 0.00 C ATOM 911 C ARG A 46 12.054 -22.699 0.418 1.00 0.00 C ATOM 912 O ARG A 46 12.290 -21.681 1.099 1.00 0.00 O ATOM 913 CB ARG A 46 14.022 -24.049 1.174 1.00 0.00 C ATOM 914 CG ARG A 46 13.677 -25.475 1.579 1.00 0.00 C ATOM 915 CD ARG A 46 14.849 -26.418 1.356 1.00 0.00 C ATOM 916 NE ARG A 46 14.431 -27.818 1.348 1.00 0.00 N ATOM 917 CZ ARG A 46 15.262 -28.842 1.524 1.00 0.00 C ATOM 918 NH1 ARG A 46 16.557 -28.628 1.726 1.00 0.00 N ATOM 919 NH2 ARG A 46 14.798 -30.084 1.502 1.00 0.00 N ATOM 920 OXT ARG A 46 10.903 -23.059 0.091 1.00 0.00 O ATOM 0 H ARG A 46 14.399 -21.890 -0.568 1.00 0.00 H new ATOM 0 HA ARG A 46 12.847 -24.409 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 46 15.088 -23.990 0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.833 -23.385 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.387 -25.496 2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.817 -25.819 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.332 -26.178 0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.591 -26.266 2.140 1.00 0.00 H new ATOM 0 HE ARG A 46 13.443 -28.023 1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.919 -27.675 1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.189 -29.417 1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.804 -30.254 1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.435 -30.869 1.637 1.00 0.00 H new TER 934 ARG A 46