USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 472 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.0628 (180deg=-0.819) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.173 F(o=-2.7!,f=-0.17) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.27) USER MOD Single : A 16 GLN : amide:sc= 0.0229 X(o=0.023,f=0) USER MOD Single : A 17 SER OG : rot -58:sc= 1.2 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0156 (180deg=-0.328) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 75:sc= 0.31 USER MOD Single : A 44 THR OG1 : rot 119:sc= 0.584 USER MOD Single : A 46 ASN :FLIP amide:sc= -3.4! C(o=-7!,f=-3.4!) USER MOD Single : A 52 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= -0.0288 (180deg=-0.399) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.392 K(o=0.39,f=-8.3!) USER MOD Single : A 60 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.004) USER MOD Single : A 61 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.9!) USER MOD Single : A 62 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.017) USER MOD Single : A 63 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-3.2!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0986 X(o=-0.099,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.747 -2.356 -22.290 1.00 1.00 N ATOM 2 CA MET A 1 2.079 -3.732 -21.822 1.00 1.00 C ATOM 3 C MET A 1 3.592 -3.867 -21.684 1.00 1.00 C ATOM 4 O MET A 1 4.261 -4.397 -22.571 1.00 1.00 O ATOM 5 CB MET A 1 1.554 -4.753 -22.834 1.00 1.00 C ATOM 6 CG MET A 1 0.054 -4.539 -23.044 1.00 1.00 C ATOM 7 SD MET A 1 -0.818 -6.108 -22.813 1.00 1.00 S ATOM 8 CE MET A 1 -0.932 -6.563 -24.561 1.00 1.00 C ATOM 0 H1 MET A 1 0.838 -2.060 -21.880 1.00 1.00 H new ATOM 0 H2 MET A 1 2.493 -1.697 -21.989 1.00 1.00 H new ATOM 0 H3 MET A 1 1.677 -2.350 -23.328 1.00 1.00 H new ATOM 0 HA MET A 1 1.613 -3.915 -20.854 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.083 -4.647 -23.781 1.00 1.00 H new ATOM 0 HB3 MET A 1 1.741 -5.765 -22.476 1.00 1.00 H new ATOM 0 HG2 MET A 1 -0.320 -3.796 -22.340 1.00 1.00 H new ATOM 0 HG3 MET A 1 -0.132 -4.151 -24.046 1.00 1.00 H new ATOM 0 HE1 MET A 1 -1.446 -7.520 -24.655 1.00 1.00 H new ATOM 0 HE2 MET A 1 -1.489 -5.797 -25.101 1.00 1.00 H new ATOM 0 HE3 MET A 1 0.070 -6.646 -24.981 1.00 1.00 H new ATOM 20 N GLU A 2 4.123 -3.384 -20.566 1.00 1.00 N ATOM 21 CA GLU A 2 5.559 -3.456 -20.322 1.00 1.00 C ATOM 22 C GLU A 2 5.948 -4.838 -19.807 1.00 1.00 C ATOM 23 O GLU A 2 5.313 -5.372 -18.897 1.00 1.00 O ATOM 24 CB GLU A 2 5.970 -2.394 -19.300 1.00 1.00 C ATOM 25 CG GLU A 2 5.878 -1.007 -19.939 1.00 1.00 C ATOM 26 CD GLU A 2 5.337 -0.002 -18.929 1.00 1.00 C ATOM 27 OE1 GLU A 2 4.128 0.062 -18.778 1.00 1.00 O ATOM 28 OE2 GLU A 2 6.137 0.689 -18.323 1.00 1.00 O ATOM 0 H GLU A 2 3.586 -2.942 -19.820 1.00 1.00 H new ATOM 0 HA GLU A 2 6.077 -3.273 -21.264 1.00 1.00 H new ATOM 0 HB2 GLU A 2 5.322 -2.446 -18.425 1.00 1.00 H new ATOM 0 HB3 GLU A 2 6.987 -2.580 -18.955 1.00 1.00 H new ATOM 0 HG2 GLU A 2 6.862 -0.692 -20.287 1.00 1.00 H new ATOM 0 HG3 GLU A 2 5.228 -1.043 -20.813 1.00 1.00 H new ATOM 35 N GLU A 3 6.994 -5.411 -20.393 1.00 1.00 N ATOM 36 CA GLU A 3 7.458 -6.731 -19.986 1.00 1.00 C ATOM 37 C GLU A 3 8.771 -7.075 -20.682 1.00 1.00 C ATOM 38 O GLU A 3 8.873 -8.092 -21.368 1.00 1.00 O ATOM 39 CB GLU A 3 6.404 -7.786 -20.330 1.00 1.00 C ATOM 40 CG GLU A 3 6.683 -9.064 -19.538 1.00 1.00 C ATOM 41 CD GLU A 3 5.838 -9.087 -18.269 1.00 1.00 C ATOM 42 OE1 GLU A 3 4.644 -9.306 -18.381 1.00 1.00 O ATOM 43 OE2 GLU A 3 6.398 -8.885 -17.204 1.00 1.00 O ATOM 0 H GLU A 3 7.533 -4.985 -21.147 1.00 1.00 H new ATOM 0 HA GLU A 3 7.622 -6.721 -18.908 1.00 1.00 H new ATOM 0 HB2 GLU A 3 5.408 -7.410 -20.095 1.00 1.00 H new ATOM 0 HB3 GLU A 3 6.421 -7.997 -21.399 1.00 1.00 H new ATOM 0 HG2 GLU A 3 6.458 -9.937 -20.150 1.00 1.00 H new ATOM 0 HG3 GLU A 3 7.741 -9.119 -19.281 1.00 1.00 H new ATOM 50 N GLY A 4 9.773 -6.221 -20.503 1.00 1.00 N ATOM 51 CA GLY A 4 11.076 -6.447 -21.119 1.00 1.00 C ATOM 52 C GLY A 4 12.102 -5.440 -20.610 1.00 1.00 C ATOM 53 O GLY A 4 12.558 -4.573 -21.355 1.00 1.00 O ATOM 0 H GLY A 4 9.710 -5.372 -19.941 1.00 1.00 H new ATOM 0 HA2 GLY A 4 11.415 -7.460 -20.900 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.989 -6.367 -22.203 1.00 1.00 H new ATOM 57 N GLY A 5 12.461 -5.562 -19.336 1.00 1.00 N ATOM 58 CA GLY A 5 13.435 -4.656 -18.738 1.00 1.00 C ATOM 59 C GLY A 5 14.854 -5.178 -18.936 1.00 1.00 C ATOM 60 O GLY A 5 15.610 -4.655 -19.754 1.00 1.00 O ATOM 0 H GLY A 5 12.096 -6.273 -18.702 1.00 1.00 H new ATOM 0 HA2 GLY A 5 13.341 -3.667 -19.186 1.00 1.00 H new ATOM 0 HA3 GLY A 5 13.229 -4.545 -17.673 1.00 1.00 H new ATOM 64 N ASP A 6 15.210 -6.213 -18.180 1.00 1.00 N ATOM 65 CA ASP A 6 16.542 -6.798 -18.281 1.00 1.00 C ATOM 66 C ASP A 6 17.608 -5.772 -17.908 1.00 1.00 C ATOM 67 O ASP A 6 18.541 -5.528 -18.672 1.00 1.00 O ATOM 68 CB ASP A 6 16.787 -7.296 -19.706 1.00 1.00 C ATOM 69 CG ASP A 6 17.955 -8.275 -19.722 1.00 1.00 C ATOM 70 OD1 ASP A 6 18.917 -8.031 -19.012 1.00 1.00 O ATOM 71 OD2 ASP A 6 17.872 -9.254 -20.445 1.00 1.00 O ATOM 0 H ASP A 6 14.600 -6.660 -17.496 1.00 1.00 H new ATOM 0 HA ASP A 6 16.603 -7.637 -17.588 1.00 1.00 H new ATOM 0 HB2 ASP A 6 15.890 -7.781 -20.090 1.00 1.00 H new ATOM 0 HB3 ASP A 6 16.999 -6.453 -20.363 1.00 1.00 H new ATOM 76 N PHE A 7 17.462 -5.177 -16.729 1.00 1.00 N ATOM 77 CA PHE A 7 18.420 -4.180 -16.265 1.00 1.00 C ATOM 78 C PHE A 7 18.342 -4.026 -14.750 1.00 1.00 C ATOM 79 O PHE A 7 17.619 -3.171 -14.238 1.00 1.00 O ATOM 80 CB PHE A 7 18.135 -2.832 -16.931 1.00 1.00 C ATOM 81 CG PHE A 7 18.912 -2.733 -18.224 1.00 1.00 C ATOM 82 CD1 PHE A 7 20.311 -2.695 -18.196 1.00 1.00 C ATOM 83 CD2 PHE A 7 18.234 -2.681 -19.448 1.00 1.00 C ATOM 84 CE1 PHE A 7 21.032 -2.602 -19.393 1.00 1.00 C ATOM 85 CE2 PHE A 7 18.956 -2.590 -20.644 1.00 1.00 C ATOM 86 CZ PHE A 7 20.355 -2.550 -20.617 1.00 1.00 C ATOM 0 H PHE A 7 16.696 -5.365 -16.082 1.00 1.00 H new ATOM 0 HA PHE A 7 19.422 -4.514 -16.534 1.00 1.00 H new ATOM 0 HB2 PHE A 7 17.068 -2.730 -17.127 1.00 1.00 H new ATOM 0 HB3 PHE A 7 18.416 -2.018 -16.263 1.00 1.00 H new ATOM 0 HD1 PHE A 7 20.834 -2.737 -17.252 1.00 1.00 H new ATOM 0 HD2 PHE A 7 17.155 -2.711 -19.469 1.00 1.00 H new ATOM 0 HE1 PHE A 7 22.111 -2.570 -19.372 1.00 1.00 H new ATOM 0 HE2 PHE A 7 18.433 -2.551 -21.588 1.00 1.00 H new ATOM 0 HZ PHE A 7 20.912 -2.479 -21.540 1.00 1.00 H new ATOM 96 N ASP A 8 19.092 -4.860 -14.036 1.00 1.00 N ATOM 97 CA ASP A 8 19.100 -4.807 -12.578 1.00 1.00 C ATOM 98 C ASP A 8 20.446 -5.272 -12.032 1.00 1.00 C ATOM 99 O ASP A 8 20.579 -5.558 -10.842 1.00 1.00 O ATOM 100 CB ASP A 8 17.987 -5.694 -12.018 1.00 1.00 C ATOM 101 CG ASP A 8 16.626 -5.155 -12.445 1.00 1.00 C ATOM 102 OD1 ASP A 8 16.227 -4.128 -11.922 1.00 1.00 O ATOM 103 OD2 ASP A 8 16.002 -5.777 -13.290 1.00 1.00 O ATOM 0 H ASP A 8 19.697 -5.575 -14.439 1.00 1.00 H new ATOM 0 HA ASP A 8 18.933 -3.775 -12.270 1.00 1.00 H new ATOM 0 HB2 ASP A 8 18.111 -6.716 -12.375 1.00 1.00 H new ATOM 0 HB3 ASP A 8 18.049 -5.727 -10.930 1.00 1.00 H new ATOM 108 N ASN A 9 21.442 -5.345 -12.909 1.00 1.00 N ATOM 109 CA ASN A 9 22.775 -5.776 -12.502 1.00 1.00 C ATOM 110 C ASN A 9 23.334 -4.848 -11.429 1.00 1.00 C ATOM 111 O ASN A 9 23.100 -5.050 -10.237 1.00 1.00 O ATOM 112 CB ASN A 9 23.712 -5.787 -13.712 1.00 1.00 C ATOM 113 CG ASN A 9 23.332 -6.923 -14.654 1.00 1.00 C ATOM 114 OD1 ASN A 9 22.083 -7.089 -14.992 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 24.197 -7.683 -15.094 1.00 1.00 N flip ATOM 0 H ASN A 9 21.353 -5.113 -13.898 1.00 1.00 H new ATOM 0 HA ASN A 9 22.702 -6.783 -12.091 1.00 1.00 H new ATOM 0 HB2 ASN A 9 23.653 -4.833 -14.237 1.00 1.00 H new ATOM 0 HB3 ASN A 9 24.744 -5.907 -13.382 1.00 1.00 H new ATOM 0 HD21 ASN A 9 25.173 -7.552 -14.829 1.00 1.00 H new ATOM 0 HD22 ASN A 9 23.936 -8.443 -15.723 1.00 1.00 H new ATOM 122 N TYR A 10 24.074 -3.832 -11.859 1.00 1.00 N ATOM 123 CA TYR A 10 24.661 -2.879 -10.925 1.00 1.00 C ATOM 124 C TYR A 10 23.663 -2.520 -9.828 1.00 1.00 C ATOM 125 O TYR A 10 22.497 -2.240 -10.105 1.00 1.00 O ATOM 126 CB TYR A 10 25.082 -1.609 -11.669 1.00 1.00 C ATOM 127 CG TYR A 10 26.584 -1.467 -11.612 1.00 1.00 C ATOM 128 CD1 TYR A 10 27.184 -0.798 -10.538 1.00 1.00 C ATOM 129 CD2 TYR A 10 27.377 -2.003 -12.634 1.00 1.00 C ATOM 130 CE1 TYR A 10 28.577 -0.666 -10.486 1.00 1.00 C ATOM 131 CE2 TYR A 10 28.769 -1.870 -12.582 1.00 1.00 C ATOM 132 CZ TYR A 10 29.369 -1.203 -11.508 1.00 1.00 C ATOM 133 OH TYR A 10 30.742 -1.072 -11.457 1.00 1.00 O ATOM 0 H TYR A 10 24.280 -3.648 -12.841 1.00 1.00 H new ATOM 0 HA TYR A 10 25.537 -3.340 -10.468 1.00 1.00 H new ATOM 0 HB2 TYR A 10 24.749 -1.655 -12.706 1.00 1.00 H new ATOM 0 HB3 TYR A 10 24.606 -0.737 -11.220 1.00 1.00 H new ATOM 0 HD1 TYR A 10 26.572 -0.384 -9.750 1.00 1.00 H new ATOM 0 HD2 TYR A 10 26.914 -2.519 -13.462 1.00 1.00 H new ATOM 0 HE1 TYR A 10 29.040 -0.150 -9.658 1.00 1.00 H new ATOM 0 HE2 TYR A 10 29.381 -2.282 -13.371 1.00 1.00 H new ATOM 0 HH TYR A 10 31.141 -1.501 -12.242 1.00 1.00 H new ATOM 143 N TYR A 11 24.129 -2.532 -8.584 1.00 1.00 N ATOM 144 CA TYR A 11 23.267 -2.208 -7.454 1.00 1.00 C ATOM 145 C TYR A 11 22.188 -3.272 -7.283 1.00 1.00 C ATOM 146 O TYR A 11 21.029 -2.957 -7.013 1.00 1.00 O ATOM 147 CB TYR A 11 22.612 -0.842 -7.672 1.00 1.00 C ATOM 148 CG TYR A 11 22.451 -0.142 -6.344 1.00 1.00 C ATOM 149 CD1 TYR A 11 23.496 0.635 -5.831 1.00 1.00 C ATOM 150 CD2 TYR A 11 21.255 -0.268 -5.627 1.00 1.00 C ATOM 151 CE1 TYR A 11 23.346 1.285 -4.600 1.00 1.00 C ATOM 152 CE2 TYR A 11 21.105 0.382 -4.396 1.00 1.00 C ATOM 153 CZ TYR A 11 22.150 1.159 -3.883 1.00 1.00 C ATOM 154 OH TYR A 11 22.003 1.799 -2.669 1.00 1.00 O ATOM 0 H TYR A 11 25.091 -2.761 -8.334 1.00 1.00 H new ATOM 0 HA TYR A 11 23.877 -2.177 -6.551 1.00 1.00 H new ATOM 0 HB2 TYR A 11 23.223 -0.237 -8.342 1.00 1.00 H new ATOM 0 HB3 TYR A 11 21.640 -0.965 -8.150 1.00 1.00 H new ATOM 0 HD1 TYR A 11 24.418 0.733 -6.385 1.00 1.00 H new ATOM 0 HD2 TYR A 11 20.448 -0.867 -6.023 1.00 1.00 H new ATOM 0 HE1 TYR A 11 24.153 1.884 -4.204 1.00 1.00 H new ATOM 0 HE2 TYR A 11 20.183 0.284 -3.842 1.00 1.00 H new ATOM 0 HH TYR A 11 21.114 1.608 -2.304 1.00 1.00 H new ATOM 164 N GLY A 12 22.577 -4.532 -7.442 1.00 1.00 N ATOM 165 CA GLY A 12 21.635 -5.636 -7.305 1.00 1.00 C ATOM 166 C GLY A 12 22.316 -6.969 -7.592 1.00 1.00 C ATOM 167 O GLY A 12 21.853 -8.023 -7.155 1.00 1.00 O ATOM 0 H GLY A 12 23.532 -4.813 -7.664 1.00 1.00 H new ATOM 0 HA2 GLY A 12 21.221 -5.644 -6.297 1.00 1.00 H new ATOM 0 HA3 GLY A 12 20.800 -5.494 -7.991 1.00 1.00 H new ATOM 171 N ALA A 13 23.418 -6.910 -8.329 1.00 1.00 N ATOM 172 CA ALA A 13 24.163 -8.116 -8.673 1.00 1.00 C ATOM 173 C ALA A 13 25.273 -8.363 -7.658 1.00 1.00 C ATOM 174 O ALA A 13 25.674 -9.503 -7.427 1.00 1.00 O ATOM 175 CB ALA A 13 24.768 -7.976 -10.071 1.00 1.00 C ATOM 0 H ALA A 13 23.814 -6.046 -8.698 1.00 1.00 H new ATOM 0 HA ALA A 13 23.477 -8.963 -8.659 1.00 1.00 H new ATOM 0 HB1 ALA A 13 25.323 -8.881 -10.320 1.00 1.00 H new ATOM 0 HB2 ALA A 13 23.971 -7.827 -10.799 1.00 1.00 H new ATOM 0 HB3 ALA A 13 25.442 -7.120 -10.092 1.00 1.00 H new ATOM 181 N ASP A 14 25.761 -7.284 -7.055 1.00 1.00 N ATOM 182 CA ASP A 14 26.823 -7.388 -6.061 1.00 1.00 C ATOM 183 C ASP A 14 26.257 -7.188 -4.660 1.00 1.00 C ATOM 184 O ASP A 14 26.905 -7.511 -3.665 1.00 1.00 O ATOM 185 CB ASP A 14 27.899 -6.334 -6.333 1.00 1.00 C ATOM 186 CG ASP A 14 28.752 -6.755 -7.525 1.00 1.00 C ATOM 187 OD1 ASP A 14 28.393 -6.408 -8.637 1.00 1.00 O ATOM 188 OD2 ASP A 14 29.756 -7.413 -7.306 1.00 1.00 O ATOM 0 H ASP A 14 25.440 -6.333 -7.236 1.00 1.00 H new ATOM 0 HA ASP A 14 27.265 -8.382 -6.128 1.00 1.00 H new ATOM 0 HB2 ASP A 14 27.433 -5.369 -6.532 1.00 1.00 H new ATOM 0 HB3 ASP A 14 28.528 -6.208 -5.452 1.00 1.00 H new ATOM 193 N ASN A 15 25.042 -6.653 -4.592 1.00 1.00 N ATOM 194 CA ASN A 15 24.395 -6.412 -3.308 1.00 1.00 C ATOM 195 C ASN A 15 24.289 -7.709 -2.512 1.00 1.00 C ATOM 196 O ASN A 15 24.130 -7.688 -1.292 1.00 1.00 O ATOM 197 CB ASN A 15 22.997 -5.832 -3.530 1.00 1.00 C ATOM 198 CG ASN A 15 22.070 -6.257 -2.395 1.00 1.00 C ATOM 199 OD1 ASN A 15 22.062 -5.634 -1.334 1.00 1.00 O ATOM 200 ND2 ASN A 15 21.286 -7.287 -2.557 1.00 1.00 N ATOM 0 H ASN A 15 24.489 -6.380 -5.405 1.00 1.00 H new ATOM 0 HA ASN A 15 24.998 -5.700 -2.744 1.00 1.00 H new ATOM 0 HB2 ASN A 15 23.049 -4.744 -3.580 1.00 1.00 H new ATOM 0 HB3 ASN A 15 22.599 -6.176 -4.484 1.00 1.00 H new ATOM 0 HD21 ASN A 15 20.664 -7.578 -1.803 1.00 1.00 H new ATOM 0 HD22 ASN A 15 21.295 -7.801 -3.438 1.00 1.00 H new ATOM 207 N GLN A 16 24.379 -8.835 -3.212 1.00 1.00 N ATOM 208 CA GLN A 16 24.291 -10.137 -2.559 1.00 1.00 C ATOM 209 C GLN A 16 25.681 -10.735 -2.367 1.00 1.00 C ATOM 210 O GLN A 16 25.827 -11.825 -1.814 1.00 1.00 O ATOM 211 CB GLN A 16 23.436 -11.085 -3.401 1.00 1.00 C ATOM 212 CG GLN A 16 24.285 -11.670 -4.532 1.00 1.00 C ATOM 213 CD GLN A 16 23.386 -12.136 -5.672 1.00 1.00 C ATOM 214 OE1 GLN A 16 22.831 -13.233 -5.618 1.00 1.00 O ATOM 215 NE2 GLN A 16 23.209 -11.362 -6.708 1.00 1.00 N ATOM 0 H GLN A 16 24.512 -8.873 -4.223 1.00 1.00 H new ATOM 0 HA GLN A 16 23.829 -10.003 -1.581 1.00 1.00 H new ATOM 0 HB2 GLN A 16 23.041 -11.886 -2.777 1.00 1.00 H new ATOM 0 HB3 GLN A 16 22.580 -10.551 -3.813 1.00 1.00 H new ATOM 0 HG2 GLN A 16 24.988 -10.920 -4.895 1.00 1.00 H new ATOM 0 HG3 GLN A 16 24.876 -12.506 -4.159 1.00 1.00 H new ATOM 0 HE21 GLN A 16 23.670 -10.453 -6.750 1.00 1.00 H new ATOM 0 HE22 GLN A 16 22.610 -11.666 -7.475 1.00 1.00 H new ATOM 224 N SER A 17 26.698 -10.016 -2.829 1.00 1.00 N ATOM 225 CA SER A 17 28.073 -10.487 -2.702 1.00 1.00 C ATOM 226 C SER A 17 28.754 -9.837 -1.501 1.00 1.00 C ATOM 227 O SER A 17 29.533 -10.477 -0.796 1.00 1.00 O ATOM 228 CB SER A 17 28.856 -10.160 -3.974 1.00 1.00 C ATOM 229 OG SER A 17 29.279 -8.804 -3.930 1.00 1.00 O ATOM 0 H SER A 17 26.599 -9.112 -3.291 1.00 1.00 H new ATOM 0 HA SER A 17 28.055 -11.567 -2.554 1.00 1.00 H new ATOM 0 HB2 SER A 17 29.719 -10.819 -4.063 1.00 1.00 H new ATOM 0 HB3 SER A 17 28.233 -10.330 -4.852 1.00 1.00 H new ATOM 0 HG SER A 17 28.497 -8.220 -3.835 1.00 1.00 H new ATOM 235 N GLU A 18 28.453 -8.562 -1.275 1.00 1.00 N ATOM 236 CA GLU A 18 29.043 -7.838 -0.155 1.00 1.00 C ATOM 237 C GLU A 18 28.965 -8.670 1.120 1.00 1.00 C ATOM 238 O GLU A 18 29.685 -8.416 2.085 1.00 1.00 O ATOM 239 CB GLU A 18 28.309 -6.510 0.053 1.00 1.00 C ATOM 240 CG GLU A 18 27.063 -6.739 0.911 1.00 1.00 C ATOM 241 CD GLU A 18 26.083 -5.587 0.726 1.00 1.00 C ATOM 242 OE1 GLU A 18 26.378 -4.502 1.202 1.00 1.00 O ATOM 243 OE2 GLU A 18 25.050 -5.805 0.115 1.00 1.00 O ATOM 0 H GLU A 18 27.810 -8.013 -1.846 1.00 1.00 H new ATOM 0 HA GLU A 18 30.091 -7.642 -0.384 1.00 1.00 H new ATOM 0 HB2 GLU A 18 28.969 -5.791 0.538 1.00 1.00 H new ATOM 0 HB3 GLU A 18 28.026 -6.085 -0.910 1.00 1.00 H new ATOM 0 HG2 GLU A 18 26.588 -7.680 0.633 1.00 1.00 H new ATOM 0 HG3 GLU A 18 27.345 -6.823 1.961 1.00 1.00 H new ATOM 250 N CYS A 19 28.085 -9.666 1.116 1.00 1.00 N ATOM 251 CA CYS A 19 27.919 -10.530 2.279 1.00 1.00 C ATOM 252 C CYS A 19 29.078 -11.516 2.385 1.00 1.00 C ATOM 253 O CYS A 19 29.583 -11.781 3.476 1.00 1.00 O ATOM 254 CB CYS A 19 26.600 -11.301 2.173 1.00 1.00 C ATOM 255 SG CYS A 19 26.503 -12.517 3.510 1.00 1.00 S ATOM 0 H CYS A 19 27.480 -9.894 0.327 1.00 1.00 H new ATOM 0 HA CYS A 19 27.905 -9.905 3.172 1.00 1.00 H new ATOM 0 HB2 CYS A 19 25.758 -10.612 2.232 1.00 1.00 H new ATOM 0 HB3 CYS A 19 26.535 -11.801 1.207 1.00 1.00 H new ATOM 0 HG CYS A 19 25.383 -13.170 3.422 1.00 1.00 H new ATOM 261 N GLU A 20 29.495 -12.058 1.244 1.00 1.00 N ATOM 262 CA GLU A 20 30.595 -13.015 1.222 1.00 1.00 C ATOM 263 C GLU A 20 31.902 -12.321 0.859 1.00 1.00 C ATOM 264 O GLU A 20 32.974 -12.920 0.929 1.00 1.00 O ATOM 265 CB GLU A 20 30.302 -14.123 0.207 1.00 1.00 C ATOM 266 CG GLU A 20 30.682 -13.646 -1.197 1.00 1.00 C ATOM 267 CD GLU A 20 29.947 -14.474 -2.243 1.00 1.00 C ATOM 268 OE1 GLU A 20 28.813 -14.140 -2.546 1.00 1.00 O ATOM 269 OE2 GLU A 20 30.525 -15.434 -2.724 1.00 1.00 O ATOM 0 H GLU A 20 29.091 -11.853 0.330 1.00 1.00 H new ATOM 0 HA GLU A 20 30.694 -13.450 2.216 1.00 1.00 H new ATOM 0 HB2 GLU A 20 30.864 -15.021 0.462 1.00 1.00 H new ATOM 0 HB3 GLU A 20 29.245 -14.389 0.238 1.00 1.00 H new ATOM 0 HG2 GLU A 20 30.430 -12.592 -1.313 1.00 1.00 H new ATOM 0 HG3 GLU A 20 31.759 -13.735 -1.341 1.00 1.00 H new ATOM 276 N TYR A 21 31.807 -11.054 0.473 1.00 1.00 N ATOM 277 CA TYR A 21 32.990 -10.286 0.101 1.00 1.00 C ATOM 278 C TYR A 21 34.031 -10.326 1.216 1.00 1.00 C ATOM 279 O TYR A 21 35.233 -10.263 0.959 1.00 1.00 O ATOM 280 CB TYR A 21 32.599 -8.834 -0.180 1.00 1.00 C ATOM 281 CG TYR A 21 33.845 -8.002 -0.371 1.00 1.00 C ATOM 282 CD1 TYR A 21 34.508 -7.469 0.741 1.00 1.00 C ATOM 283 CD2 TYR A 21 34.334 -7.761 -1.660 1.00 1.00 C ATOM 284 CE1 TYR A 21 35.662 -6.697 0.564 1.00 1.00 C ATOM 285 CE2 TYR A 21 35.489 -6.988 -1.837 1.00 1.00 C ATOM 286 CZ TYR A 21 36.152 -6.455 -0.725 1.00 1.00 C ATOM 287 OH TYR A 21 37.289 -5.693 -0.900 1.00 1.00 O ATOM 0 H TYR A 21 30.929 -10.539 0.409 1.00 1.00 H new ATOM 0 HA TYR A 21 33.420 -10.730 -0.797 1.00 1.00 H new ATOM 0 HB2 TYR A 21 31.974 -8.781 -1.071 1.00 1.00 H new ATOM 0 HB3 TYR A 21 32.009 -8.439 0.647 1.00 1.00 H new ATOM 0 HD1 TYR A 21 34.129 -7.654 1.735 1.00 1.00 H new ATOM 0 HD2 TYR A 21 33.821 -8.171 -2.518 1.00 1.00 H new ATOM 0 HE1 TYR A 21 36.175 -6.288 1.422 1.00 1.00 H new ATOM 0 HE2 TYR A 21 35.868 -6.803 -2.831 1.00 1.00 H new ATOM 0 HH TYR A 21 37.493 -5.624 -1.856 1.00 1.00 H new ATOM 297 N THR A 22 33.560 -10.431 2.453 1.00 1.00 N ATOM 298 CA THR A 22 34.460 -10.477 3.601 1.00 1.00 C ATOM 299 C THR A 22 34.967 -11.898 3.831 1.00 1.00 C ATOM 300 O THR A 22 35.670 -12.165 4.805 1.00 1.00 O ATOM 301 CB THR A 22 33.735 -9.982 4.855 1.00 1.00 C ATOM 302 OG1 THR A 22 32.332 -10.017 4.632 1.00 1.00 O ATOM 303 CG2 THR A 22 34.169 -8.549 5.166 1.00 1.00 C ATOM 0 H THR A 22 32.569 -10.486 2.687 1.00 1.00 H new ATOM 0 HA THR A 22 35.312 -9.829 3.395 1.00 1.00 H new ATOM 0 HB THR A 22 33.986 -10.625 5.699 1.00 1.00 H new ATOM 0 HG1 THR A 22 31.865 -9.702 5.434 1.00 1.00 H new ATOM 0 HG21 THR A 22 33.652 -8.198 6.059 1.00 1.00 H new ATOM 0 HG22 THR A 22 35.245 -8.524 5.336 1.00 1.00 H new ATOM 0 HG23 THR A 22 33.919 -7.903 4.325 1.00 1.00 H new ATOM 311 N ASP A 23 34.605 -12.801 2.924 1.00 1.00 N ATOM 312 CA ASP A 23 35.026 -14.194 3.027 1.00 1.00 C ATOM 313 C ASP A 23 35.714 -14.636 1.739 1.00 1.00 C ATOM 314 O ASP A 23 36.855 -15.095 1.760 1.00 1.00 O ATOM 315 CB ASP A 23 33.814 -15.088 3.291 1.00 1.00 C ATOM 316 CG ASP A 23 33.192 -14.739 4.639 1.00 1.00 C ATOM 317 OD1 ASP A 23 33.712 -13.853 5.296 1.00 1.00 O ATOM 318 OD2 ASP A 23 32.204 -15.361 4.994 1.00 1.00 O ATOM 0 H ASP A 23 34.023 -12.594 2.112 1.00 1.00 H new ATOM 0 HA ASP A 23 35.729 -14.284 3.855 1.00 1.00 H new ATOM 0 HB2 ASP A 23 33.078 -14.960 2.497 1.00 1.00 H new ATOM 0 HB3 ASP A 23 34.115 -16.135 3.281 1.00 1.00 H new ATOM 323 N TRP A 24 35.011 -14.491 0.622 1.00 1.00 N ATOM 324 CA TRP A 24 35.558 -14.874 -0.673 1.00 1.00 C ATOM 325 C TRP A 24 37.026 -14.472 -0.781 1.00 1.00 C ATOM 326 O TRP A 24 37.834 -15.191 -1.369 1.00 1.00 O ATOM 327 CB TRP A 24 34.760 -14.199 -1.791 1.00 1.00 C ATOM 328 CG TRP A 24 35.700 -13.663 -2.823 1.00 1.00 C ATOM 329 CD1 TRP A 24 36.010 -14.280 -3.986 1.00 1.00 C ATOM 330 CD2 TRP A 24 36.455 -12.416 -2.807 1.00 1.00 C ATOM 331 NE1 TRP A 24 36.907 -13.492 -4.685 1.00 1.00 N ATOM 332 CE2 TRP A 24 37.211 -12.333 -3.999 1.00 1.00 C ATOM 333 CE3 TRP A 24 36.554 -11.360 -1.882 1.00 1.00 C ATOM 334 CZ2 TRP A 24 38.038 -11.241 -4.266 1.00 1.00 C ATOM 335 CZ3 TRP A 24 37.385 -10.260 -2.147 1.00 1.00 C ATOM 336 CH2 TRP A 24 38.126 -10.200 -3.336 1.00 1.00 C ATOM 0 H TRP A 24 34.065 -14.112 0.587 1.00 1.00 H new ATOM 0 HA TRP A 24 35.485 -15.957 -0.771 1.00 1.00 H new ATOM 0 HB2 TRP A 24 34.074 -14.914 -2.245 1.00 1.00 H new ATOM 0 HB3 TRP A 24 34.153 -13.391 -1.382 1.00 1.00 H new ATOM 0 HD1 TRP A 24 35.621 -15.232 -4.315 1.00 1.00 H new ATOM 0 HE1 TRP A 24 37.296 -13.737 -5.595 1.00 1.00 H new ATOM 0 HE3 TRP A 24 35.988 -11.396 -0.963 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 38.606 -11.200 -5.184 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 37.454 -9.455 -1.431 1.00 1.00 H new ATOM 0 HH2 TRP A 24 38.764 -9.351 -3.533 1.00 1.00 H new ATOM 347 N LYS A 25 37.364 -13.321 -0.212 1.00 1.00 N ATOM 348 CA LYS A 25 38.738 -12.838 -0.254 1.00 1.00 C ATOM 349 C LYS A 25 39.707 -13.958 0.108 1.00 1.00 C ATOM 350 O LYS A 25 40.780 -14.079 -0.484 1.00 1.00 O ATOM 351 CB LYS A 25 38.914 -11.673 0.721 1.00 1.00 C ATOM 352 CG LYS A 25 40.134 -10.845 0.310 1.00 1.00 C ATOM 353 CD LYS A 25 40.351 -9.718 1.323 1.00 1.00 C ATOM 354 CE LYS A 25 41.621 -8.945 0.963 1.00 1.00 C ATOM 355 NZ LYS A 25 41.426 -8.247 -0.339 1.00 1.00 N ATOM 0 H LYS A 25 36.712 -12.710 0.280 1.00 1.00 H new ATOM 0 HA LYS A 25 38.954 -12.497 -1.267 1.00 1.00 H new ATOM 0 HB2 LYS A 25 38.021 -11.048 0.723 1.00 1.00 H new ATOM 0 HB3 LYS A 25 39.042 -12.050 1.736 1.00 1.00 H new ATOM 0 HG2 LYS A 25 41.018 -11.480 0.262 1.00 1.00 H new ATOM 0 HG3 LYS A 25 39.986 -10.429 -0.687 1.00 1.00 H new ATOM 0 HD2 LYS A 25 39.492 -9.047 1.325 1.00 1.00 H new ATOM 0 HD3 LYS A 25 40.436 -10.130 2.329 1.00 1.00 H new ATOM 0 HE2 LYS A 25 41.853 -8.221 1.744 1.00 1.00 H new ATOM 0 HE3 LYS A 25 42.469 -9.627 0.899 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 42.149 -7.507 -0.448 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 41.512 -8.932 -1.117 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 40.481 -7.813 -0.362 1.00 1.00 H new ATOM 369 N SER A 26 39.317 -14.772 1.083 1.00 1.00 N ATOM 370 CA SER A 26 40.155 -15.884 1.525 1.00 1.00 C ATOM 371 C SER A 26 39.535 -17.218 1.120 1.00 1.00 C ATOM 372 O SER A 26 40.245 -18.161 0.770 1.00 1.00 O ATOM 373 CB SER A 26 40.321 -15.838 3.045 1.00 1.00 C ATOM 374 OG SER A 26 41.009 -14.648 3.405 1.00 1.00 O ATOM 0 H SER A 26 38.431 -14.685 1.581 1.00 1.00 H new ATOM 0 HA SER A 26 41.131 -15.791 1.048 1.00 1.00 H new ATOM 0 HB2 SER A 26 39.345 -15.869 3.530 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.876 -16.711 3.389 1.00 1.00 H new ATOM 0 HG SER A 26 41.116 -14.614 4.379 1.00 1.00 H new ATOM 380 N SER A 27 38.210 -17.290 1.170 1.00 1.00 N ATOM 381 CA SER A 27 37.508 -18.516 0.805 1.00 1.00 C ATOM 382 C SER A 27 37.033 -18.450 -0.643 1.00 1.00 C ATOM 383 O SER A 27 36.005 -19.030 -0.994 1.00 1.00 O ATOM 384 CB SER A 27 36.306 -18.724 1.726 1.00 1.00 C ATOM 385 OG SER A 27 36.755 -18.805 3.072 1.00 1.00 O ATOM 0 H SER A 27 37.604 -16.521 1.457 1.00 1.00 H new ATOM 0 HA SER A 27 38.198 -19.353 0.913 1.00 1.00 H new ATOM 0 HB2 SER A 27 35.601 -17.900 1.615 1.00 1.00 H new ATOM 0 HB3 SER A 27 35.776 -19.636 1.452 1.00 1.00 H new ATOM 0 HG SER A 27 35.987 -18.937 3.666 1.00 1.00 H new ATOM 391 N GLY A 28 37.787 -17.741 -1.476 1.00 1.00 N ATOM 392 CA GLY A 28 37.435 -17.605 -2.885 1.00 1.00 C ATOM 393 C GLY A 28 38.653 -17.821 -3.775 1.00 1.00 C ATOM 394 O GLY A 28 38.733 -17.274 -4.874 1.00 1.00 O ATOM 0 H GLY A 28 38.641 -17.254 -1.203 1.00 1.00 H new ATOM 0 HA2 GLY A 28 36.660 -18.327 -3.141 1.00 1.00 H new ATOM 0 HA3 GLY A 28 37.019 -16.614 -3.066 1.00 1.00 H new ATOM 398 N ALA A 29 39.601 -18.619 -3.288 1.00 1.00 N ATOM 399 CA ALA A 29 40.816 -18.900 -4.046 1.00 1.00 C ATOM 400 C ALA A 29 41.079 -20.402 -4.111 1.00 1.00 C ATOM 401 O ALA A 29 42.152 -20.835 -4.529 1.00 1.00 O ATOM 402 CB ALA A 29 42.011 -18.202 -3.394 1.00 1.00 C ATOM 0 H ALA A 29 39.551 -19.079 -2.379 1.00 1.00 H new ATOM 0 HA ALA A 29 40.680 -18.524 -5.060 1.00 1.00 H new ATOM 0 HB1 ALA A 29 42.914 -18.417 -3.966 1.00 1.00 H new ATOM 0 HB2 ALA A 29 41.839 -17.126 -3.378 1.00 1.00 H new ATOM 0 HB3 ALA A 29 42.132 -18.566 -2.374 1.00 1.00 H new ATOM 408 N LEU A 30 40.092 -21.194 -3.698 1.00 1.00 N ATOM 409 CA LEU A 30 40.238 -22.646 -3.720 1.00 1.00 C ATOM 410 C LEU A 30 38.879 -23.326 -3.857 1.00 1.00 C ATOM 411 O LEU A 30 38.754 -24.354 -4.524 1.00 1.00 O ATOM 412 CB LEU A 30 40.925 -23.123 -2.440 1.00 1.00 C ATOM 413 CG LEU A 30 40.317 -22.408 -1.232 1.00 1.00 C ATOM 414 CD1 LEU A 30 40.072 -23.418 -0.110 1.00 1.00 C ATOM 415 CD2 LEU A 30 41.282 -21.328 -0.741 1.00 1.00 C ATOM 0 H LEU A 30 39.194 -20.860 -3.348 1.00 1.00 H new ATOM 0 HA LEU A 30 40.850 -22.914 -4.581 1.00 1.00 H new ATOM 0 HB2 LEU A 30 40.808 -24.201 -2.333 1.00 1.00 H new ATOM 0 HB3 LEU A 30 41.995 -22.922 -2.493 1.00 1.00 H new ATOM 0 HG LEU A 30 39.371 -21.949 -1.521 1.00 1.00 H new ATOM 0 HD11 LEU A 30 39.639 -22.908 0.750 1.00 1.00 H new ATOM 0 HD12 LEU A 30 39.385 -24.189 -0.458 1.00 1.00 H new ATOM 0 HD13 LEU A 30 41.017 -23.878 0.179 1.00 1.00 H new ATOM 0 HD21 LEU A 30 40.850 -20.818 0.120 1.00 1.00 H new ATOM 0 HD22 LEU A 30 42.227 -21.788 -0.453 1.00 1.00 H new ATOM 0 HD23 LEU A 30 41.458 -20.607 -1.539 1.00 1.00 H new ATOM 427 N ILE A 31 37.863 -22.748 -3.225 1.00 1.00 N ATOM 428 CA ILE A 31 36.518 -23.310 -3.287 1.00 1.00 C ATOM 429 C ILE A 31 35.845 -23.035 -4.637 1.00 1.00 C ATOM 430 O ILE A 31 35.086 -23.871 -5.125 1.00 1.00 O ATOM 431 CB ILE A 31 35.659 -22.729 -2.161 1.00 1.00 C ATOM 432 CG1 ILE A 31 36.534 -22.478 -0.930 1.00 1.00 C ATOM 433 CG2 ILE A 31 34.551 -23.720 -1.804 1.00 1.00 C ATOM 434 CD1 ILE A 31 35.657 -22.443 0.323 1.00 1.00 C ATOM 0 H ILE A 31 37.943 -21.897 -2.668 1.00 1.00 H new ATOM 0 HA ILE A 31 36.607 -24.390 -3.170 1.00 1.00 H new ATOM 0 HB ILE A 31 35.215 -21.789 -2.490 1.00 1.00 H new ATOM 0 HG12 ILE A 31 37.285 -23.263 -0.839 1.00 1.00 H new ATOM 0 HG13 ILE A 31 37.070 -21.535 -1.038 1.00 1.00 H new ATOM 0 HG21 ILE A 31 33.938 -23.308 -1.002 1.00 1.00 H new ATOM 0 HG22 ILE A 31 33.928 -23.901 -2.680 1.00 1.00 H new ATOM 0 HG23 ILE A 31 34.995 -24.659 -1.475 1.00 1.00 H new ATOM 0 HD11 ILE A 31 36.281 -22.264 1.199 1.00 1.00 H new ATOM 0 HD12 ILE A 31 34.923 -21.643 0.231 1.00 1.00 H new ATOM 0 HD13 ILE A 31 35.142 -23.397 0.433 1.00 1.00 H new ATOM 446 N PRO A 32 36.087 -21.894 -5.245 1.00 1.00 N ATOM 447 CA PRO A 32 35.458 -21.540 -6.554 1.00 1.00 C ATOM 448 C PRO A 32 35.684 -22.611 -7.617 1.00 1.00 C ATOM 449 O PRO A 32 34.921 -22.715 -8.578 1.00 1.00 O ATOM 450 CB PRO A 32 36.136 -20.225 -6.949 1.00 1.00 C ATOM 451 CG PRO A 32 36.629 -19.639 -5.670 1.00 1.00 C ATOM 452 CD PRO A 32 36.977 -20.821 -4.770 1.00 1.00 C ATOM 0 HA PRO A 32 34.375 -21.454 -6.469 1.00 1.00 H new ATOM 0 HB2 PRO A 32 36.957 -20.399 -7.645 1.00 1.00 H new ATOM 0 HB3 PRO A 32 35.435 -19.554 -7.445 1.00 1.00 H new ATOM 0 HG2 PRO A 32 37.502 -19.009 -5.841 1.00 1.00 H new ATOM 0 HG3 PRO A 32 35.867 -19.010 -5.210 1.00 1.00 H new ATOM 0 HD2 PRO A 32 38.026 -21.100 -4.863 1.00 1.00 H new ATOM 0 HD3 PRO A 32 36.801 -20.590 -3.719 1.00 1.00 H new ATOM 460 N ALA A 33 36.734 -23.406 -7.441 1.00 1.00 N ATOM 461 CA ALA A 33 37.042 -24.462 -8.394 1.00 1.00 C ATOM 462 C ALA A 33 35.895 -25.464 -8.469 1.00 1.00 C ATOM 463 O ALA A 33 35.193 -25.544 -9.476 1.00 1.00 O ATOM 464 CB ALA A 33 38.328 -25.181 -7.985 1.00 1.00 C ATOM 0 H ALA A 33 37.380 -23.339 -6.654 1.00 1.00 H new ATOM 0 HA ALA A 33 37.180 -24.010 -9.376 1.00 1.00 H new ATOM 0 HB1 ALA A 33 38.549 -25.969 -8.705 1.00 1.00 H new ATOM 0 HB2 ALA A 33 39.152 -24.468 -7.963 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.201 -25.619 -6.995 1.00 1.00 H new ATOM 470 N ILE A 34 35.710 -26.223 -7.396 1.00 1.00 N ATOM 471 CA ILE A 34 34.642 -27.214 -7.351 1.00 1.00 C ATOM 472 C ILE A 34 33.292 -26.534 -7.551 1.00 1.00 C ATOM 473 O ILE A 34 32.390 -27.091 -8.178 1.00 1.00 O ATOM 474 CB ILE A 34 34.694 -27.965 -6.005 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.044 -29.438 -6.255 1.00 1.00 C ATOM 476 CG2 ILE A 34 33.356 -27.874 -5.249 1.00 1.00 C ATOM 477 CD1 ILE A 34 33.933 -30.121 -7.062 1.00 1.00 C ATOM 0 H ILE A 34 36.280 -26.173 -6.552 1.00 1.00 H new ATOM 0 HA ILE A 34 34.777 -27.937 -8.155 1.00 1.00 H new ATOM 0 HB ILE A 34 35.459 -27.496 -5.387 1.00 1.00 H new ATOM 0 HG12 ILE A 34 35.989 -29.508 -6.794 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.181 -29.953 -5.304 1.00 1.00 H new ATOM 0 HG21 ILE A 34 33.433 -28.415 -4.306 1.00 1.00 H new ATOM 0 HG22 ILE A 34 33.122 -26.828 -5.049 1.00 1.00 H new ATOM 0 HG23 ILE A 34 32.565 -28.314 -5.856 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.196 -31.165 -7.231 1.00 1.00 H new ATOM 0 HD12 ILE A 34 32.996 -30.068 -6.508 1.00 1.00 H new ATOM 0 HD13 ILE A 34 33.817 -29.616 -8.021 1.00 1.00 H new ATOM 489 N TYR A 35 33.160 -25.326 -7.013 1.00 1.00 N ATOM 490 CA TYR A 35 31.917 -24.578 -7.136 1.00 1.00 C ATOM 491 C TYR A 35 31.575 -24.341 -8.602 1.00 1.00 C ATOM 492 O TYR A 35 30.538 -24.789 -9.084 1.00 1.00 O ATOM 493 CB TYR A 35 32.041 -23.233 -6.418 1.00 1.00 C ATOM 494 CG TYR A 35 30.938 -23.106 -5.392 1.00 1.00 C ATOM 495 CD1 TYR A 35 29.600 -23.100 -5.806 1.00 1.00 C ATOM 496 CD2 TYR A 35 31.251 -22.994 -4.033 1.00 1.00 C ATOM 497 CE1 TYR A 35 28.575 -22.984 -4.859 1.00 1.00 C ATOM 498 CE2 TYR A 35 30.226 -22.878 -3.086 1.00 1.00 C ATOM 499 CZ TYR A 35 28.888 -22.873 -3.499 1.00 1.00 C ATOM 500 OH TYR A 35 27.878 -22.759 -2.566 1.00 1.00 O ATOM 0 H TYR A 35 33.894 -24.848 -6.491 1.00 1.00 H new ATOM 0 HA TYR A 35 31.119 -25.163 -6.678 1.00 1.00 H new ATOM 0 HB2 TYR A 35 33.014 -23.156 -5.933 1.00 1.00 H new ATOM 0 HB3 TYR A 35 31.978 -22.417 -7.138 1.00 1.00 H new ATOM 0 HD1 TYR A 35 29.359 -23.185 -6.855 1.00 1.00 H new ATOM 0 HD2 TYR A 35 32.283 -22.997 -3.714 1.00 1.00 H new ATOM 0 HE1 TYR A 35 27.543 -22.980 -5.178 1.00 1.00 H new ATOM 0 HE2 TYR A 35 30.467 -22.792 -2.037 1.00 1.00 H new ATOM 0 HH TYR A 35 28.267 -22.693 -1.669 1.00 1.00 H new ATOM 510 N MET A 36 32.455 -23.633 -9.305 1.00 1.00 N ATOM 511 CA MET A 36 32.233 -23.343 -10.718 1.00 1.00 C ATOM 512 C MET A 36 31.666 -24.563 -11.437 1.00 1.00 C ATOM 513 O MET A 36 30.644 -24.476 -12.118 1.00 1.00 O ATOM 514 CB MET A 36 33.547 -22.925 -11.378 1.00 1.00 C ATOM 515 CG MET A 36 33.686 -21.402 -11.325 1.00 1.00 C ATOM 516 SD MET A 36 33.288 -20.819 -9.658 1.00 1.00 S ATOM 517 CE MET A 36 32.025 -19.615 -10.134 1.00 1.00 C ATOM 0 H MET A 36 33.321 -23.253 -8.923 1.00 1.00 H new ATOM 0 HA MET A 36 31.513 -22.528 -10.791 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.388 -23.395 -10.868 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.571 -23.267 -12.413 1.00 1.00 H new ATOM 0 HG2 MET A 36 34.701 -21.109 -11.592 1.00 1.00 H new ATOM 0 HG3 MET A 36 33.019 -20.939 -12.053 1.00 1.00 H new ATOM 0 HE1 MET A 36 31.634 -19.126 -9.242 1.00 1.00 H new ATOM 0 HE2 MET A 36 32.465 -18.868 -10.794 1.00 1.00 H new ATOM 0 HE3 MET A 36 31.214 -20.125 -10.653 1.00 1.00 H new ATOM 527 N LEU A 37 32.337 -25.698 -11.282 1.00 1.00 N ATOM 528 CA LEU A 37 31.895 -26.932 -11.921 1.00 1.00 C ATOM 529 C LEU A 37 30.480 -27.290 -11.478 1.00 1.00 C ATOM 530 O LEU A 37 29.692 -27.821 -12.259 1.00 1.00 O ATOM 531 CB LEU A 37 32.847 -28.077 -11.568 1.00 1.00 C ATOM 532 CG LEU A 37 32.518 -29.299 -12.428 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.646 -29.533 -13.435 1.00 1.00 C ATOM 534 CD2 LEU A 37 32.374 -30.530 -11.531 1.00 1.00 C ATOM 0 H LEU A 37 33.185 -25.790 -10.722 1.00 1.00 H new ATOM 0 HA LEU A 37 31.898 -26.778 -13.000 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.880 -27.770 -11.734 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.755 -28.328 -10.511 1.00 1.00 H new ATOM 0 HG LEU A 37 31.584 -29.126 -12.962 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.412 -30.404 -14.048 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.750 -28.657 -14.075 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.580 -29.706 -12.901 1.00 1.00 H new ATOM 0 HD21 LEU A 37 32.140 -31.401 -12.143 1.00 1.00 H new ATOM 0 HD22 LEU A 37 33.309 -30.703 -10.997 1.00 1.00 H new ATOM 0 HD23 LEU A 37 31.571 -30.365 -10.813 1.00 1.00 H new ATOM 546 N VAL A 38 30.167 -26.997 -10.220 1.00 1.00 N ATOM 547 CA VAL A 38 28.841 -27.292 -9.683 1.00 1.00 C ATOM 548 C VAL A 38 27.944 -26.064 -9.774 1.00 1.00 C ATOM 549 O VAL A 38 26.785 -26.095 -9.361 1.00 1.00 O ATOM 550 CB VAL A 38 28.956 -27.738 -8.226 1.00 1.00 C ATOM 551 CG1 VAL A 38 27.557 -27.930 -7.637 1.00 1.00 C ATOM 552 CG2 VAL A 38 29.724 -29.061 -8.157 1.00 1.00 C ATOM 0 H VAL A 38 30.807 -26.559 -9.557 1.00 1.00 H new ATOM 0 HA VAL A 38 28.399 -28.095 -10.273 1.00 1.00 H new ATOM 0 HB VAL A 38 29.488 -26.977 -7.655 1.00 1.00 H new ATOM 0 HG11 VAL A 38 27.640 -28.248 -6.598 1.00 1.00 H new ATOM 0 HG12 VAL A 38 27.009 -26.989 -7.686 1.00 1.00 H new ATOM 0 HG13 VAL A 38 27.023 -28.690 -8.207 1.00 1.00 H new ATOM 0 HG21 VAL A 38 29.807 -29.380 -7.118 1.00 1.00 H new ATOM 0 HG22 VAL A 38 29.192 -29.821 -8.729 1.00 1.00 H new ATOM 0 HG23 VAL A 38 30.721 -28.925 -8.575 1.00 1.00 H new ATOM 562 N PHE A 39 28.490 -24.982 -10.318 1.00 1.00 N ATOM 563 CA PHE A 39 27.733 -23.747 -10.461 1.00 1.00 C ATOM 564 C PHE A 39 27.126 -23.659 -11.855 1.00 1.00 C ATOM 565 O PHE A 39 25.908 -23.572 -12.008 1.00 1.00 O ATOM 566 CB PHE A 39 28.645 -22.542 -10.221 1.00 1.00 C ATOM 567 CG PHE A 39 27.811 -21.356 -9.800 1.00 1.00 C ATOM 568 CD1 PHE A 39 27.188 -21.350 -8.546 1.00 1.00 C ATOM 569 CD2 PHE A 39 27.658 -20.263 -10.662 1.00 1.00 C ATOM 570 CE1 PHE A 39 26.414 -20.252 -8.154 1.00 1.00 C ATOM 571 CE2 PHE A 39 26.884 -19.165 -10.269 1.00 1.00 C ATOM 572 CZ PHE A 39 26.262 -19.159 -9.016 1.00 1.00 C ATOM 0 H PHE A 39 29.448 -24.936 -10.665 1.00 1.00 H new ATOM 0 HA PHE A 39 26.931 -23.743 -9.723 1.00 1.00 H new ATOM 0 HB2 PHE A 39 29.379 -22.776 -9.450 1.00 1.00 H new ATOM 0 HB3 PHE A 39 29.200 -22.306 -11.129 1.00 1.00 H new ATOM 0 HD1 PHE A 39 27.305 -22.193 -7.881 1.00 1.00 H new ATOM 0 HD2 PHE A 39 28.137 -20.267 -11.630 1.00 1.00 H new ATOM 0 HE1 PHE A 39 25.934 -20.248 -7.187 1.00 1.00 H new ATOM 0 HE2 PHE A 39 26.767 -18.322 -10.934 1.00 1.00 H new ATOM 0 HZ PHE A 39 25.665 -18.312 -8.714 1.00 1.00 H new ATOM 582 N LEU A 40 27.982 -23.687 -12.871 1.00 1.00 N ATOM 583 CA LEU A 40 27.509 -23.613 -14.247 1.00 1.00 C ATOM 584 C LEU A 40 26.711 -24.861 -14.602 1.00 1.00 C ATOM 585 O LEU A 40 26.077 -24.927 -15.655 1.00 1.00 O ATOM 586 CB LEU A 40 28.692 -23.465 -15.206 1.00 1.00 C ATOM 587 CG LEU A 40 29.633 -24.662 -15.046 1.00 1.00 C ATOM 588 CD1 LEU A 40 29.439 -25.625 -16.218 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.081 -24.169 -15.027 1.00 1.00 C ATOM 0 H LEU A 40 28.994 -23.759 -12.770 1.00 1.00 H new ATOM 0 HA LEU A 40 26.862 -22.741 -14.342 1.00 1.00 H new ATOM 0 HB2 LEU A 40 28.335 -23.405 -16.234 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.227 -22.538 -15.000 1.00 1.00 H new ATOM 0 HG LEU A 40 29.410 -25.178 -14.112 1.00 1.00 H new ATOM 0 HD11 LEU A 40 30.109 -26.477 -16.104 1.00 1.00 H new ATOM 0 HD12 LEU A 40 28.407 -25.975 -16.234 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.663 -25.110 -17.153 1.00 1.00 H new ATOM 0 HD21 LEU A 40 31.753 -25.019 -14.913 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.302 -23.654 -15.962 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.220 -23.482 -14.192 1.00 1.00 H new ATOM 601 N LEU A 41 26.742 -25.846 -13.712 1.00 1.00 N ATOM 602 CA LEU A 41 26.010 -27.085 -13.934 1.00 1.00 C ATOM 603 C LEU A 41 24.544 -26.889 -13.580 1.00 1.00 C ATOM 604 O LEU A 41 23.661 -27.056 -14.421 1.00 1.00 O ATOM 605 CB LEU A 41 26.594 -28.204 -13.069 1.00 1.00 C ATOM 606 CG LEU A 41 27.194 -29.291 -13.960 1.00 1.00 C ATOM 607 CD1 LEU A 41 27.880 -30.344 -13.088 1.00 1.00 C ATOM 608 CD2 LEU A 41 26.080 -29.955 -14.774 1.00 1.00 C ATOM 0 H LEU A 41 27.263 -25.811 -12.836 1.00 1.00 H new ATOM 0 HA LEU A 41 26.098 -27.360 -14.985 1.00 1.00 H new ATOM 0 HB2 LEU A 41 27.360 -27.801 -12.406 1.00 1.00 H new ATOM 0 HB3 LEU A 41 25.816 -28.629 -12.435 1.00 1.00 H new ATOM 0 HG LEU A 41 27.924 -28.845 -14.635 1.00 1.00 H new ATOM 0 HD11 LEU A 41 28.308 -31.120 -13.723 1.00 1.00 H new ATOM 0 HD12 LEU A 41 28.672 -29.874 -12.505 1.00 1.00 H new ATOM 0 HD13 LEU A 41 27.149 -30.790 -12.413 1.00 1.00 H new ATOM 0 HD21 LEU A 41 26.507 -30.731 -15.410 1.00 1.00 H new ATOM 0 HD22 LEU A 41 25.351 -30.401 -14.097 1.00 1.00 H new ATOM 0 HD23 LEU A 41 25.588 -29.207 -15.395 1.00 1.00 H new ATOM 620 N GLY A 42 24.298 -26.530 -12.327 1.00 1.00 N ATOM 621 CA GLY A 42 22.937 -26.307 -11.864 1.00 1.00 C ATOM 622 C GLY A 42 22.441 -24.926 -12.278 1.00 1.00 C ATOM 623 O GLY A 42 21.343 -24.787 -12.815 1.00 1.00 O ATOM 0 H GLY A 42 25.018 -26.388 -11.618 1.00 1.00 H new ATOM 0 HA2 GLY A 42 22.279 -27.072 -12.275 1.00 1.00 H new ATOM 0 HA3 GLY A 42 22.898 -26.402 -10.779 1.00 1.00 H new ATOM 627 N THR A 43 23.257 -23.907 -12.033 1.00 1.00 N ATOM 628 CA THR A 43 22.881 -22.544 -12.387 1.00 1.00 C ATOM 629 C THR A 43 22.445 -22.462 -13.848 1.00 1.00 C ATOM 630 O THR A 43 21.968 -21.423 -14.304 1.00 1.00 O ATOM 631 CB THR A 43 24.061 -21.595 -12.142 1.00 1.00 C ATOM 632 OG1 THR A 43 24.661 -21.907 -10.892 1.00 1.00 O ATOM 633 CG2 THR A 43 23.573 -20.144 -12.122 1.00 1.00 C ATOM 0 H THR A 43 24.174 -23.997 -11.595 1.00 1.00 H new ATOM 0 HA THR A 43 22.041 -22.246 -11.759 1.00 1.00 H new ATOM 0 HB THR A 43 24.790 -21.715 -12.944 1.00 1.00 H new ATOM 0 HG1 THR A 43 25.190 -22.727 -10.979 1.00 1.00 H new ATOM 0 HG21 THR A 43 24.418 -19.478 -11.947 1.00 1.00 H new ATOM 0 HG22 THR A 43 23.112 -19.902 -13.080 1.00 1.00 H new ATOM 0 HG23 THR A 43 22.841 -20.017 -11.325 1.00 1.00 H new ATOM 641 N THR A 44 22.606 -23.565 -14.575 1.00 1.00 N ATOM 642 CA THR A 44 22.222 -23.607 -15.980 1.00 1.00 C ATOM 643 C THR A 44 20.958 -24.437 -16.161 1.00 1.00 C ATOM 644 O THR A 44 20.176 -24.199 -17.083 1.00 1.00 O ATOM 645 CB THR A 44 23.357 -24.211 -16.809 1.00 1.00 C ATOM 646 OG1 THR A 44 24.333 -23.213 -17.070 1.00 1.00 O ATOM 647 CG2 THR A 44 22.803 -24.744 -18.129 1.00 1.00 C ATOM 0 H THR A 44 22.997 -24.436 -14.216 1.00 1.00 H new ATOM 0 HA THR A 44 22.026 -22.590 -16.319 1.00 1.00 H new ATOM 0 HB THR A 44 23.814 -25.031 -16.255 1.00 1.00 H new ATOM 0 HG1 THR A 44 25.190 -23.484 -16.680 1.00 1.00 H new ATOM 0 HG21 THR A 44 23.614 -25.173 -18.717 1.00 1.00 H new ATOM 0 HG22 THR A 44 22.056 -25.511 -17.927 1.00 1.00 H new ATOM 0 HG23 THR A 44 22.343 -23.928 -18.687 1.00 1.00 H new ATOM 655 N GLY A 45 20.768 -25.412 -15.277 1.00 1.00 N ATOM 656 CA GLY A 45 19.597 -26.278 -15.342 1.00 1.00 C ATOM 657 C GLY A 45 18.854 -26.293 -14.011 1.00 1.00 C ATOM 658 O GLY A 45 18.157 -27.255 -13.688 1.00 1.00 O ATOM 0 H GLY A 45 21.407 -25.621 -14.510 1.00 1.00 H new ATOM 0 HA2 GLY A 45 18.929 -25.934 -16.132 1.00 1.00 H new ATOM 0 HA3 GLY A 45 19.903 -27.291 -15.603 1.00 1.00 H new ATOM 662 N ASN A 46 19.007 -25.220 -13.243 1.00 1.00 N ATOM 663 CA ASN A 46 18.347 -25.117 -11.946 1.00 1.00 C ATOM 664 C ASN A 46 18.131 -23.656 -11.574 1.00 1.00 C ATOM 665 O ASN A 46 17.014 -23.244 -11.258 1.00 1.00 O ATOM 666 CB ASN A 46 19.195 -25.799 -10.870 1.00 1.00 C ATOM 667 CG ASN A 46 19.248 -27.300 -11.122 1.00 1.00 C ATOM 668 OD1 ASN A 46 19.991 -27.764 -12.089 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 18.598 -28.072 -10.418 1.00 1.00 N flip ATOM 0 H ASN A 46 19.579 -24.413 -13.494 1.00 1.00 H new ATOM 0 HA ASN A 46 17.379 -25.613 -12.011 1.00 1.00 H new ATOM 0 HB2 ASN A 46 20.204 -25.385 -10.874 1.00 1.00 H new ATOM 0 HB3 ASN A 46 18.774 -25.602 -9.884 1.00 1.00 H new ATOM 0 HD21 ASN A 46 18.018 -27.707 -9.663 1.00 1.00 H new ATOM 0 HD22 ASN A 46 18.639 -29.077 -10.590 1.00 1.00 H new ATOM 676 N GLY A 47 19.205 -22.874 -11.616 1.00 1.00 N ATOM 677 CA GLY A 47 19.118 -21.458 -11.283 1.00 1.00 C ATOM 678 C GLY A 47 18.310 -20.707 -12.335 1.00 1.00 C ATOM 679 O GLY A 47 17.516 -19.825 -12.009 1.00 1.00 O ATOM 0 H GLY A 47 20.138 -23.194 -11.875 1.00 1.00 H new ATOM 0 HA2 GLY A 47 18.653 -21.337 -10.305 1.00 1.00 H new ATOM 0 HA3 GLY A 47 20.119 -21.033 -11.214 1.00 1.00 H new ATOM 683 N LEU A 48 18.520 -21.064 -13.598 1.00 1.00 N ATOM 684 CA LEU A 48 17.805 -20.420 -14.692 1.00 1.00 C ATOM 685 C LEU A 48 16.298 -20.529 -14.477 1.00 1.00 C ATOM 686 O LEU A 48 15.591 -19.523 -14.452 1.00 1.00 O ATOM 687 CB LEU A 48 18.198 -21.078 -16.023 1.00 1.00 C ATOM 688 CG LEU A 48 17.305 -20.563 -17.160 1.00 1.00 C ATOM 689 CD1 LEU A 48 17.283 -19.033 -17.158 1.00 1.00 C ATOM 690 CD2 LEU A 48 17.861 -21.057 -18.496 1.00 1.00 C ATOM 0 H LEU A 48 19.175 -21.791 -13.887 1.00 1.00 H new ATOM 0 HA LEU A 48 18.075 -19.364 -14.720 1.00 1.00 H new ATOM 0 HB2 LEU A 48 19.243 -20.863 -16.247 1.00 1.00 H new ATOM 0 HB3 LEU A 48 18.105 -22.161 -15.942 1.00 1.00 H new ATOM 0 HG LEU A 48 16.290 -20.935 -17.017 1.00 1.00 H new ATOM 0 HD11 LEU A 48 16.647 -18.677 -17.968 1.00 1.00 H new ATOM 0 HD12 LEU A 48 16.891 -18.676 -16.206 1.00 1.00 H new ATOM 0 HD13 LEU A 48 18.295 -18.654 -17.299 1.00 1.00 H new ATOM 0 HD21 LEU A 48 17.231 -20.695 -19.309 1.00 1.00 H new ATOM 0 HD22 LEU A 48 18.876 -20.682 -18.629 1.00 1.00 H new ATOM 0 HD23 LEU A 48 17.873 -22.147 -18.504 1.00 1.00 H new ATOM 702 N VAL A 49 15.814 -21.756 -14.317 1.00 1.00 N ATOM 703 CA VAL A 49 14.390 -21.980 -14.100 1.00 1.00 C ATOM 704 C VAL A 49 13.918 -21.232 -12.858 1.00 1.00 C ATOM 705 O VAL A 49 13.104 -20.312 -12.949 1.00 1.00 O ATOM 706 CB VAL A 49 14.116 -23.476 -13.931 1.00 1.00 C ATOM 707 CG1 VAL A 49 12.760 -23.672 -13.250 1.00 1.00 C ATOM 708 CG2 VAL A 49 14.097 -24.147 -15.305 1.00 1.00 C ATOM 0 H VAL A 49 16.381 -22.604 -14.333 1.00 1.00 H new ATOM 0 HA VAL A 49 13.845 -21.608 -14.967 1.00 1.00 H new ATOM 0 HB VAL A 49 14.899 -23.923 -13.318 1.00 1.00 H new ATOM 0 HG11 VAL A 49 12.564 -24.737 -13.129 1.00 1.00 H new ATOM 0 HG12 VAL A 49 12.772 -23.192 -12.271 1.00 1.00 H new ATOM 0 HG13 VAL A 49 11.977 -23.226 -13.863 1.00 1.00 H new ATOM 0 HG21 VAL A 49 13.902 -25.213 -15.187 1.00 1.00 H new ATOM 0 HG22 VAL A 49 13.313 -23.700 -15.917 1.00 1.00 H new ATOM 0 HG23 VAL A 49 15.062 -24.007 -15.792 1.00 1.00 H new ATOM 718 N LEU A 50 14.437 -21.628 -11.701 1.00 1.00 N ATOM 719 CA LEU A 50 14.063 -20.982 -10.448 1.00 1.00 C ATOM 720 C LEU A 50 14.129 -19.467 -10.593 1.00 1.00 C ATOM 721 O LEU A 50 13.381 -18.739 -9.944 1.00 1.00 O ATOM 722 CB LEU A 50 15.002 -21.430 -9.328 1.00 1.00 C ATOM 723 CG LEU A 50 14.543 -22.786 -8.788 1.00 1.00 C ATOM 724 CD1 LEU A 50 15.746 -23.542 -8.221 1.00 1.00 C ATOM 725 CD2 LEU A 50 13.511 -22.569 -7.680 1.00 1.00 C ATOM 0 H LEU A 50 15.112 -22.386 -11.604 1.00 1.00 H new ATOM 0 HA LEU A 50 13.042 -21.271 -10.200 1.00 1.00 H new ATOM 0 HB2 LEU A 50 16.023 -21.503 -9.703 1.00 1.00 H new ATOM 0 HB3 LEU A 50 15.008 -20.691 -8.527 1.00 1.00 H new ATOM 0 HG LEU A 50 14.095 -23.366 -9.595 1.00 1.00 H new ATOM 0 HD11 LEU A 50 15.420 -24.508 -7.836 1.00 1.00 H new ATOM 0 HD12 LEU A 50 16.484 -23.695 -9.009 1.00 1.00 H new ATOM 0 HD13 LEU A 50 16.193 -22.962 -7.414 1.00 1.00 H new ATOM 0 HD21 LEU A 50 13.183 -23.534 -7.294 1.00 1.00 H new ATOM 0 HD22 LEU A 50 13.960 -21.989 -6.873 1.00 1.00 H new ATOM 0 HD23 LEU A 50 12.654 -22.029 -8.082 1.00 1.00 H new ATOM 737 N TRP A 51 15.030 -19.003 -11.451 1.00 1.00 N ATOM 738 CA TRP A 51 15.189 -17.572 -11.679 1.00 1.00 C ATOM 739 C TRP A 51 14.104 -17.062 -12.621 1.00 1.00 C ATOM 740 O TRP A 51 13.524 -15.999 -12.399 1.00 1.00 O ATOM 741 CB TRP A 51 16.563 -17.290 -12.283 1.00 1.00 C ATOM 742 CG TRP A 51 16.635 -15.859 -12.700 1.00 1.00 C ATOM 743 CD1 TRP A 51 17.107 -14.851 -11.931 1.00 1.00 C ATOM 744 CD2 TRP A 51 16.230 -15.256 -13.962 1.00 1.00 C ATOM 745 NE1 TRP A 51 17.018 -13.667 -12.642 1.00 1.00 N ATOM 746 CE2 TRP A 51 16.483 -13.866 -13.899 1.00 1.00 C ATOM 747 CE3 TRP A 51 15.673 -15.776 -15.145 1.00 1.00 C ATOM 748 CZ2 TRP A 51 16.194 -13.020 -14.972 1.00 1.00 C ATOM 749 CZ3 TRP A 51 15.382 -14.928 -16.226 1.00 1.00 C ATOM 750 CH2 TRP A 51 15.641 -13.553 -16.139 1.00 1.00 C ATOM 0 H TRP A 51 15.658 -19.593 -11.997 1.00 1.00 H new ATOM 0 HA TRP A 51 15.101 -17.056 -10.723 1.00 1.00 H new ATOM 0 HB2 TRP A 51 17.344 -17.508 -11.555 1.00 1.00 H new ATOM 0 HB3 TRP A 51 16.736 -17.940 -13.141 1.00 1.00 H new ATOM 0 HD1 TRP A 51 17.491 -14.953 -10.927 1.00 1.00 H new ATOM 0 HE1 TRP A 51 17.312 -12.759 -12.282 1.00 1.00 H new ATOM 0 HE3 TRP A 51 15.468 -16.834 -15.222 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 16.397 -11.962 -14.900 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 14.956 -15.338 -17.130 1.00 1.00 H new ATOM 0 HH2 TRP A 51 15.413 -12.906 -16.973 1.00 1.00 H new ATOM 761 N THR A 52 13.836 -17.830 -13.669 1.00 1.00 N ATOM 762 CA THR A 52 12.818 -17.454 -14.640 1.00 1.00 C ATOM 763 C THR A 52 11.438 -17.476 -13.994 1.00 1.00 C ATOM 764 O THR A 52 10.664 -16.528 -14.125 1.00 1.00 O ATOM 765 CB THR A 52 12.842 -18.425 -15.822 1.00 1.00 C ATOM 766 OG1 THR A 52 14.135 -18.421 -16.410 1.00 1.00 O ATOM 767 CG2 THR A 52 11.805 -17.995 -16.861 1.00 1.00 C ATOM 0 H THR A 52 14.307 -18.713 -13.868 1.00 1.00 H new ATOM 0 HA THR A 52 13.030 -16.445 -14.994 1.00 1.00 H new ATOM 0 HB THR A 52 12.605 -19.430 -15.471 1.00 1.00 H new ATOM 0 HG1 THR A 52 14.733 -18.998 -15.890 1.00 1.00 H new ATOM 0 HG21 THR A 52 11.824 -18.688 -17.702 1.00 1.00 H new ATOM 0 HG22 THR A 52 10.813 -18.000 -16.409 1.00 1.00 H new ATOM 0 HG23 THR A 52 12.038 -16.990 -17.213 1.00 1.00 H new ATOM 775 N VAL A 53 11.140 -18.565 -13.294 1.00 1.00 N ATOM 776 CA VAL A 53 9.853 -18.702 -12.627 1.00 1.00 C ATOM 777 C VAL A 53 9.608 -17.523 -11.695 1.00 1.00 C ATOM 778 O VAL A 53 8.523 -16.942 -11.683 1.00 1.00 O ATOM 779 CB VAL A 53 9.814 -20.006 -11.828 1.00 1.00 C ATOM 780 CG1 VAL A 53 8.624 -19.981 -10.865 1.00 1.00 C ATOM 781 CG2 VAL A 53 9.665 -21.187 -12.788 1.00 1.00 C ATOM 0 H VAL A 53 11.768 -19.360 -13.175 1.00 1.00 H new ATOM 0 HA VAL A 53 9.071 -18.720 -13.386 1.00 1.00 H new ATOM 0 HB VAL A 53 10.739 -20.111 -11.261 1.00 1.00 H new ATOM 0 HG11 VAL A 53 8.597 -20.910 -10.296 1.00 1.00 H new ATOM 0 HG12 VAL A 53 8.728 -19.139 -10.180 1.00 1.00 H new ATOM 0 HG13 VAL A 53 7.699 -19.876 -11.432 1.00 1.00 H new ATOM 0 HG21 VAL A 53 9.637 -22.117 -12.220 1.00 1.00 H new ATOM 0 HG22 VAL A 53 8.740 -21.081 -13.355 1.00 1.00 H new ATOM 0 HG23 VAL A 53 10.511 -21.207 -13.475 1.00 1.00 H new ATOM 791 N PHE A 54 10.626 -17.169 -10.917 1.00 1.00 N ATOM 792 CA PHE A 54 10.507 -16.053 -9.989 1.00 1.00 C ATOM 793 C PHE A 54 10.309 -14.746 -10.752 1.00 1.00 C ATOM 794 O PHE A 54 9.692 -13.808 -10.247 1.00 1.00 O ATOM 795 CB PHE A 54 11.760 -15.957 -9.117 1.00 1.00 C ATOM 796 CG PHE A 54 11.434 -16.417 -7.717 1.00 1.00 C ATOM 797 CD1 PHE A 54 11.299 -17.784 -7.445 1.00 1.00 C ATOM 798 CD2 PHE A 54 11.263 -15.480 -6.693 1.00 1.00 C ATOM 799 CE1 PHE A 54 10.995 -18.212 -6.147 1.00 1.00 C ATOM 800 CE2 PHE A 54 10.959 -15.908 -5.395 1.00 1.00 C ATOM 801 CZ PHE A 54 10.824 -17.274 -5.122 1.00 1.00 C ATOM 0 H PHE A 54 11.534 -17.634 -10.911 1.00 1.00 H new ATOM 0 HA PHE A 54 9.640 -16.225 -9.351 1.00 1.00 H new ATOM 0 HB2 PHE A 54 12.556 -16.571 -9.537 1.00 1.00 H new ATOM 0 HB3 PHE A 54 12.125 -14.930 -9.098 1.00 1.00 H new ATOM 0 HD1 PHE A 54 11.429 -18.508 -8.236 1.00 1.00 H new ATOM 0 HD2 PHE A 54 11.365 -14.426 -6.904 1.00 1.00 H new ATOM 0 HE1 PHE A 54 10.892 -19.266 -5.936 1.00 1.00 H new ATOM 0 HE2 PHE A 54 10.829 -15.184 -4.604 1.00 1.00 H new ATOM 0 HZ PHE A 54 10.588 -17.604 -4.121 1.00 1.00 H new ATOM 811 N ARG A 55 10.834 -14.695 -11.974 1.00 1.00 N ATOM 812 CA ARG A 55 10.706 -13.500 -12.802 1.00 1.00 C ATOM 813 C ARG A 55 9.366 -13.494 -13.531 1.00 1.00 C ATOM 814 O ARG A 55 8.971 -12.485 -14.113 1.00 1.00 O ATOM 815 CB ARG A 55 11.837 -13.454 -13.833 1.00 1.00 C ATOM 816 CG ARG A 55 12.564 -12.107 -13.744 1.00 1.00 C ATOM 817 CD ARG A 55 13.312 -11.981 -12.411 1.00 1.00 C ATOM 818 NE ARG A 55 13.302 -13.248 -11.687 1.00 1.00 N ATOM 819 CZ ARG A 55 14.271 -13.574 -10.839 1.00 1.00 C ATOM 820 NH1 ARG A 55 15.250 -12.741 -10.614 1.00 1.00 N ATOM 821 NH2 ARG A 55 14.245 -14.728 -10.230 1.00 1.00 N ATOM 0 H ARG A 55 11.348 -15.461 -12.409 1.00 1.00 H new ATOM 0 HA ARG A 55 10.764 -12.627 -12.152 1.00 1.00 H new ATOM 0 HB2 ARG A 55 12.538 -14.269 -13.654 1.00 1.00 H new ATOM 0 HB3 ARG A 55 11.434 -13.595 -14.836 1.00 1.00 H new ATOM 0 HG2 ARG A 55 13.267 -12.012 -14.571 1.00 1.00 H new ATOM 0 HG3 ARG A 55 11.845 -11.293 -13.842 1.00 1.00 H new ATOM 0 HD2 ARG A 55 14.341 -11.670 -12.594 1.00 1.00 H new ATOM 0 HD3 ARG A 55 12.849 -11.205 -11.801 1.00 1.00 H new ATOM 0 HE ARG A 55 12.532 -13.900 -11.836 1.00 1.00 H new ATOM 0 HH11 ARG A 55 15.271 -11.839 -11.089 1.00 1.00 H new ATOM 0 HH12 ARG A 55 15.994 -12.992 -9.963 1.00 1.00 H new ATOM 0 HH21 ARG A 55 13.480 -15.380 -10.405 1.00 1.00 H new ATOM 0 HH22 ARG A 55 14.989 -14.978 -9.579 1.00 1.00 H new ATOM 835 N LYS A 56 8.678 -14.631 -13.504 1.00 1.00 N ATOM 836 CA LYS A 56 7.387 -14.748 -14.175 1.00 1.00 C ATOM 837 C LYS A 56 6.244 -14.613 -13.174 1.00 1.00 C ATOM 838 O LYS A 56 5.172 -14.107 -13.506 1.00 1.00 O ATOM 839 CB LYS A 56 7.313 -16.094 -14.920 1.00 1.00 C ATOM 840 CG LYS A 56 6.396 -17.085 -14.186 1.00 1.00 C ATOM 841 CD LYS A 56 6.517 -18.470 -14.833 1.00 1.00 C ATOM 842 CE LYS A 56 5.138 -18.935 -15.303 1.00 1.00 C ATOM 843 NZ LYS A 56 4.231 -19.068 -14.128 1.00 1.00 N ATOM 0 H LYS A 56 8.989 -15.478 -13.029 1.00 1.00 H new ATOM 0 HA LYS A 56 7.287 -13.940 -14.900 1.00 1.00 H new ATOM 0 HB2 LYS A 56 6.942 -15.933 -15.932 1.00 1.00 H new ATOM 0 HB3 LYS A 56 8.313 -16.518 -15.011 1.00 1.00 H new ATOM 0 HG2 LYS A 56 6.670 -17.139 -13.132 1.00 1.00 H new ATOM 0 HG3 LYS A 56 5.363 -16.741 -14.229 1.00 1.00 H new ATOM 0 HD2 LYS A 56 7.206 -18.430 -15.676 1.00 1.00 H new ATOM 0 HD3 LYS A 56 6.929 -19.182 -14.118 1.00 1.00 H new ATOM 0 HE2 LYS A 56 4.725 -18.221 -16.016 1.00 1.00 H new ATOM 0 HE3 LYS A 56 5.222 -19.890 -15.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 3.519 -19.801 -14.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 4.786 -19.335 -13.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 3.755 -18.160 -13.953 1.00 1.00 H new ATOM 857 N LYS A 57 6.479 -15.067 -11.948 1.00 1.00 N ATOM 858 CA LYS A 57 5.460 -14.990 -10.908 1.00 1.00 C ATOM 859 C LYS A 57 5.584 -13.681 -10.133 1.00 1.00 C ATOM 860 O LYS A 57 4.683 -13.304 -9.385 1.00 1.00 O ATOM 861 CB LYS A 57 5.605 -16.172 -9.946 1.00 1.00 C ATOM 862 CG LYS A 57 6.926 -16.053 -9.184 1.00 1.00 C ATOM 863 CD LYS A 57 6.647 -15.650 -7.734 1.00 1.00 C ATOM 864 CE LYS A 57 6.045 -16.835 -6.977 1.00 1.00 C ATOM 865 NZ LYS A 57 7.051 -17.375 -6.019 1.00 1.00 N ATOM 0 H LYS A 57 7.359 -15.489 -11.651 1.00 1.00 H new ATOM 0 HA LYS A 57 4.479 -15.027 -11.382 1.00 1.00 H new ATOM 0 HB2 LYS A 57 4.770 -16.189 -9.246 1.00 1.00 H new ATOM 0 HB3 LYS A 57 5.576 -17.110 -10.500 1.00 1.00 H new ATOM 0 HG2 LYS A 57 7.460 -17.003 -9.212 1.00 1.00 H new ATOM 0 HG3 LYS A 57 7.567 -15.312 -9.661 1.00 1.00 H new ATOM 0 HD2 LYS A 57 7.570 -15.329 -7.252 1.00 1.00 H new ATOM 0 HD3 LYS A 57 5.962 -14.803 -7.707 1.00 1.00 H new ATOM 0 HE2 LYS A 57 5.149 -16.521 -6.442 1.00 1.00 H new ATOM 0 HE3 LYS A 57 5.741 -17.612 -7.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 6.642 -18.181 -5.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 7.894 -17.689 -6.541 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 7.320 -16.632 -5.343 1.00 1.00 H new ATOM 879 N GLY A 58 6.708 -12.997 -10.319 1.00 1.00 N ATOM 880 CA GLY A 58 6.943 -11.734 -9.633 1.00 1.00 C ATOM 881 C GLY A 58 6.432 -10.563 -10.463 1.00 1.00 C ATOM 882 O GLY A 58 5.653 -9.740 -9.981 1.00 1.00 O ATOM 0 H GLY A 58 7.465 -13.294 -10.935 1.00 1.00 H new ATOM 0 HA2 GLY A 58 6.444 -11.743 -8.664 1.00 1.00 H new ATOM 0 HA3 GLY A 58 8.009 -11.612 -9.442 1.00 1.00 H new ATOM 886 N HIS A 59 6.877 -10.493 -11.713 1.00 1.00 N ATOM 887 CA HIS A 59 6.458 -9.418 -12.599 1.00 1.00 C ATOM 888 C HIS A 59 5.005 -9.603 -13.020 1.00 1.00 C ATOM 889 O HIS A 59 4.507 -8.893 -13.894 1.00 1.00 O ATOM 890 CB HIS A 59 7.353 -9.379 -13.839 1.00 1.00 C ATOM 891 CG HIS A 59 7.616 -7.946 -14.218 1.00 1.00 C ATOM 892 ND1 HIS A 59 7.381 -7.465 -15.496 1.00 1.00 N ATOM 893 CD2 HIS A 59 8.088 -6.879 -13.496 1.00 1.00 C ATOM 894 CE1 HIS A 59 7.708 -6.160 -15.505 1.00 1.00 C ATOM 895 NE2 HIS A 59 8.145 -5.751 -14.310 1.00 1.00 N ATOM 0 H HIS A 59 7.522 -11.163 -12.131 1.00 1.00 H new ATOM 0 HA HIS A 59 6.549 -8.475 -12.059 1.00 1.00 H new ATOM 0 HB2 HIS A 59 8.293 -9.893 -13.639 1.00 1.00 H new ATOM 0 HB3 HIS A 59 6.873 -9.903 -14.665 1.00 1.00 H new ATOM 0 HD1 HIS A 59 7.025 -8.003 -16.286 1.00 1.00 H new ATOM 0 HD2 HIS A 59 8.372 -6.910 -12.454 1.00 1.00 H new ATOM 0 HE1 HIS A 59 7.627 -5.521 -16.372 1.00 1.00 H new ATOM 903 N HIS A 60 4.330 -10.561 -12.394 1.00 1.00 N ATOM 904 CA HIS A 60 2.932 -10.830 -12.714 1.00 1.00 C ATOM 905 C HIS A 60 2.097 -9.561 -12.577 1.00 1.00 C ATOM 906 O HIS A 60 1.256 -9.266 -13.425 1.00 1.00 O ATOM 907 CB HIS A 60 2.382 -11.909 -11.779 1.00 1.00 C ATOM 908 CG HIS A 60 1.442 -12.802 -12.542 1.00 1.00 C ATOM 909 ND1 HIS A 60 1.267 -14.138 -12.221 1.00 1.00 N ATOM 910 CD2 HIS A 60 0.620 -12.564 -13.616 1.00 1.00 C ATOM 911 CE1 HIS A 60 0.371 -14.650 -13.084 1.00 1.00 C ATOM 912 NE2 HIS A 60 -0.055 -13.733 -13.957 1.00 1.00 N ATOM 0 H HIS A 60 4.724 -11.160 -11.668 1.00 1.00 H new ATOM 0 HA HIS A 60 2.875 -11.179 -13.745 1.00 1.00 H new ATOM 0 HB2 HIS A 60 3.201 -12.496 -11.362 1.00 1.00 H new ATOM 0 HB3 HIS A 60 1.861 -11.447 -10.940 1.00 1.00 H new ATOM 0 HD2 HIS A 60 0.513 -11.615 -14.120 1.00 1.00 H new ATOM 0 HE1 HIS A 60 0.037 -15.677 -13.072 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -0.730 -13.862 -14.711 1.00 1.00 H new ATOM 920 N HIS A 61 2.337 -8.816 -11.502 1.00 1.00 N ATOM 921 CA HIS A 61 1.602 -7.579 -11.263 1.00 1.00 C ATOM 922 C HIS A 61 2.499 -6.544 -10.594 1.00 1.00 C ATOM 923 O HIS A 61 3.724 -6.621 -10.682 1.00 1.00 O ATOM 924 CB HIS A 61 0.387 -7.857 -10.375 1.00 1.00 C ATOM 925 CG HIS A 61 -0.458 -8.931 -11.002 1.00 1.00 C ATOM 926 ND1 HIS A 61 -1.054 -8.773 -12.244 1.00 1.00 N ATOM 927 CD2 HIS A 61 -0.816 -10.185 -10.573 1.00 1.00 C ATOM 928 CE1 HIS A 61 -1.732 -9.901 -12.516 1.00 1.00 C ATOM 929 NE2 HIS A 61 -1.621 -10.796 -11.530 1.00 1.00 N ATOM 0 H HIS A 61 3.029 -9.045 -10.788 1.00 1.00 H new ATOM 0 HA HIS A 61 1.267 -7.185 -12.223 1.00 1.00 H new ATOM 0 HB2 HIS A 61 0.712 -8.169 -9.383 1.00 1.00 H new ATOM 0 HB3 HIS A 61 -0.199 -6.947 -10.247 1.00 1.00 H new ATOM 0 HD2 HIS A 61 -0.518 -10.630 -9.635 1.00 1.00 H new ATOM 0 HE1 HIS A 61 -2.298 -10.064 -13.421 1.00 1.00 H new ATOM 0 HE2 HIS A 61 -2.037 -11.727 -11.488 1.00 1.00 H new ATOM 937 N HIS A 62 1.881 -5.577 -9.923 1.00 1.00 N ATOM 938 CA HIS A 62 2.636 -4.532 -9.240 1.00 1.00 C ATOM 939 C HIS A 62 2.874 -4.911 -7.782 1.00 1.00 C ATOM 940 O HIS A 62 4.010 -5.136 -7.367 1.00 1.00 O ATOM 941 CB HIS A 62 1.874 -3.208 -9.307 1.00 1.00 C ATOM 942 CG HIS A 62 1.871 -2.701 -10.723 1.00 1.00 C ATOM 943 ND1 HIS A 62 2.311 -1.428 -11.054 1.00 1.00 N ATOM 944 CD2 HIS A 62 1.482 -3.281 -11.905 1.00 1.00 C ATOM 945 CE1 HIS A 62 2.178 -1.286 -12.385 1.00 1.00 C ATOM 946 NE2 HIS A 62 1.677 -2.386 -12.953 1.00 1.00 N ATOM 0 H HIS A 62 0.868 -5.495 -9.838 1.00 1.00 H new ATOM 0 HA HIS A 62 3.599 -4.421 -9.738 1.00 1.00 H new ATOM 0 HB2 HIS A 62 0.851 -3.347 -8.957 1.00 1.00 H new ATOM 0 HB3 HIS A 62 2.339 -2.475 -8.648 1.00 1.00 H new ATOM 0 HD2 HIS A 62 1.085 -4.280 -12.006 1.00 1.00 H new ATOM 0 HE1 HIS A 62 2.444 -0.391 -12.928 1.00 1.00 H new ATOM 0 HE2 HIS A 62 1.480 -2.538 -13.942 1.00 1.00 H new ATOM 954 N HIS A 63 1.794 -4.981 -7.011 1.00 1.00 N ATOM 955 CA HIS A 63 1.897 -5.335 -5.600 1.00 1.00 C ATOM 956 C HIS A 63 1.601 -6.817 -5.398 1.00 1.00 C ATOM 957 O HIS A 63 0.918 -7.201 -4.448 1.00 1.00 O ATOM 958 CB HIS A 63 0.913 -4.499 -4.778 1.00 1.00 C ATOM 959 CG HIS A 63 1.121 -4.775 -3.315 1.00 1.00 C ATOM 960 ND1 HIS A 63 2.165 -5.559 -2.852 1.00 1.00 N ATOM 961 CD2 HIS A 63 0.427 -4.377 -2.199 1.00 1.00 C ATOM 962 CE1 HIS A 63 2.072 -5.610 -1.510 1.00 1.00 C ATOM 963 NE2 HIS A 63 1.029 -4.905 -1.060 1.00 1.00 N ATOM 0 H HIS A 63 0.844 -4.799 -7.336 1.00 1.00 H new ATOM 0 HA HIS A 63 2.914 -5.130 -5.266 1.00 1.00 H new ATOM 0 HB2 HIS A 63 1.060 -3.439 -4.983 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -0.111 -4.740 -5.062 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -0.452 -3.750 -2.204 1.00 1.00 H new ATOM 0 HE1 HIS A 63 2.756 -6.154 -0.875 1.00 1.00 H new ATOM 0 HE2 HIS A 63 0.737 -4.781 -0.091 1.00 1.00 H new ATOM 971 N HIS A 64 2.120 -7.646 -6.298 1.00 1.00 N ATOM 972 CA HIS A 64 1.905 -9.086 -6.209 1.00 1.00 C ATOM 973 C HIS A 64 0.431 -9.394 -5.960 1.00 1.00 C ATOM 974 O HIS A 64 -0.383 -8.990 -6.774 1.00 1.00 O ATOM 975 CB HIS A 64 2.749 -9.672 -5.076 1.00 1.00 C ATOM 976 CG HIS A 64 4.138 -9.096 -5.135 1.00 1.00 C ATOM 977 ND1 HIS A 64 4.830 -8.720 -3.996 1.00 1.00 N ATOM 978 CD2 HIS A 64 4.975 -8.826 -6.189 1.00 1.00 C ATOM 979 CE1 HIS A 64 6.029 -8.249 -4.386 1.00 1.00 C ATOM 980 NE2 HIS A 64 6.169 -8.292 -5.714 1.00 1.00 N ATOM 981 OXT HIS A 64 0.140 -10.028 -4.961 1.00 1.00 O ATOM 0 H HIS A 64 2.688 -7.349 -7.091 1.00 1.00 H new ATOM 0 HA HIS A 64 2.204 -9.537 -7.155 1.00 1.00 H new ATOM 0 HB2 HIS A 64 2.291 -9.446 -4.113 1.00 1.00 H new ATOM 0 HB3 HIS A 64 2.790 -10.758 -5.163 1.00 1.00 H new ATOM 0 HD2 HIS A 64 4.742 -9.001 -7.229 1.00 1.00 H new ATOM 0 HE1 HIS A 64 6.785 -7.881 -3.708 1.00 1.00 H new ATOM 0 HE2 HIS A 64 6.977 -7.997 -6.262 1.00 1.00 H new TER 989 HIS A 64