USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 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+ 149:sc= 0 (180deg=-0.0399) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.671 F(o=-4!,f=-0.67) 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 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 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 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -6:sc= 0.703! USER MOD Single : A 27 SER OG : rot 180:sc= 0.0252 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 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -164:sc= -0.431 USER MOD Single : A 46 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.031) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -119:sc=-0.00694 (180deg=-0.189) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -1.35! C(o=-2.1!,f=-1.3!) USER MOD Single : A 60 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.022) USER MOD Single : A 61 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.00048) USER MOD Single : A 62 HIS : no HD1:sc= -0.671! C(o=-0.67!,f=-4.7!) USER MOD Single : A 63 HIS : no HD1:sc= -0.717 X(o=-0.72,f=-0.72) USER MOD Single : A 64 HIS : no HE2:sc= -0.881 K(o=-0.88,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 57.270 -6.779 8.493 1.00 1.00 N ATOM 2 CA MET A 1 56.313 -6.152 9.447 1.00 1.00 C ATOM 3 C MET A 1 56.282 -6.961 10.739 1.00 1.00 C ATOM 4 O MET A 1 55.300 -7.642 11.034 1.00 1.00 O ATOM 5 CB MET A 1 54.919 -6.118 8.819 1.00 1.00 C ATOM 6 CG MET A 1 54.838 -4.965 7.817 1.00 1.00 C ATOM 7 SD MET A 1 53.747 -5.431 6.449 1.00 1.00 S ATOM 8 CE MET A 1 55.032 -6.064 5.342 1.00 1.00 C ATOM 0 H1 MET A 1 56.948 -6.612 7.518 1.00 1.00 H new ATOM 0 H2 MET A 1 58.213 -6.361 8.622 1.00 1.00 H new ATOM 0 H3 MET A 1 57.318 -7.802 8.671 1.00 1.00 H new ATOM 0 HA MET A 1 56.630 -5.133 9.670 1.00 1.00 H new ATOM 0 HB2 MET A 1 54.711 -7.064 8.319 1.00 1.00 H new ATOM 0 HB3 MET A 1 54.162 -5.994 9.594 1.00 1.00 H new ATOM 0 HG2 MET A 1 54.461 -4.068 8.308 1.00 1.00 H new ATOM 0 HG3 MET A 1 55.832 -4.727 7.439 1.00 1.00 H new ATOM 0 HE1 MET A 1 54.575 -6.413 4.416 1.00 1.00 H new ATOM 0 HE2 MET A 1 55.744 -5.269 5.119 1.00 1.00 H new ATOM 0 HE3 MET A 1 55.552 -6.892 5.824 1.00 1.00 H new ATOM 20 N GLU A 2 57.364 -6.882 11.507 1.00 1.00 N ATOM 21 CA GLU A 2 57.450 -7.613 12.767 1.00 1.00 C ATOM 22 C GLU A 2 58.085 -6.743 13.848 1.00 1.00 C ATOM 23 O GLU A 2 58.924 -7.209 14.619 1.00 1.00 O ATOM 24 CB GLU A 2 58.280 -8.884 12.578 1.00 1.00 C ATOM 25 CG GLU A 2 58.036 -9.450 11.179 1.00 1.00 C ATOM 26 CD GLU A 2 58.707 -10.814 11.043 1.00 1.00 C ATOM 27 OE1 GLU A 2 58.270 -11.736 11.712 1.00 1.00 O ATOM 28 OE2 GLU A 2 59.647 -10.915 10.273 1.00 1.00 O ATOM 0 H GLU A 2 58.188 -6.324 11.282 1.00 1.00 H new ATOM 0 HA GLU A 2 56.441 -7.882 13.079 1.00 1.00 H new ATOM 0 HB2 GLU A 2 59.339 -8.663 12.713 1.00 1.00 H new ATOM 0 HB3 GLU A 2 58.010 -9.623 13.333 1.00 1.00 H new ATOM 0 HG2 GLU A 2 56.965 -9.543 10.997 1.00 1.00 H new ATOM 0 HG3 GLU A 2 58.429 -8.766 10.427 1.00 1.00 H new ATOM 35 N GLU A 3 57.678 -5.479 13.898 1.00 1.00 N ATOM 36 CA GLU A 3 58.214 -4.554 14.890 1.00 1.00 C ATOM 37 C GLU A 3 58.003 -5.098 16.299 1.00 1.00 C ATOM 38 O GLU A 3 56.992 -5.739 16.582 1.00 1.00 O ATOM 39 CB GLU A 3 57.528 -3.193 14.758 1.00 1.00 C ATOM 40 CG GLU A 3 58.044 -2.480 13.506 1.00 1.00 C ATOM 41 CD GLU A 3 57.369 -1.121 13.365 1.00 1.00 C ATOM 42 OE1 GLU A 3 56.802 -0.659 14.341 1.00 1.00 O ATOM 43 OE2 GLU A 3 57.431 -0.560 12.283 1.00 1.00 O ATOM 0 H GLU A 3 56.985 -5.074 13.269 1.00 1.00 H new ATOM 0 HA GLU A 3 59.284 -4.440 14.714 1.00 1.00 H new ATOM 0 HB2 GLU A 3 56.448 -3.323 14.696 1.00 1.00 H new ATOM 0 HB3 GLU A 3 57.726 -2.587 15.642 1.00 1.00 H new ATOM 0 HG2 GLU A 3 59.125 -2.354 13.569 1.00 1.00 H new ATOM 0 HG3 GLU A 3 57.845 -3.088 12.623 1.00 1.00 H new ATOM 50 N GLY A 4 58.964 -4.835 17.179 1.00 1.00 N ATOM 51 CA GLY A 4 58.872 -5.303 18.558 1.00 1.00 C ATOM 52 C GLY A 4 60.253 -5.642 19.111 1.00 1.00 C ATOM 53 O GLY A 4 60.409 -6.593 19.875 1.00 1.00 O ATOM 0 H GLY A 4 59.809 -4.305 16.965 1.00 1.00 H new ATOM 0 HA2 GLY A 4 58.407 -4.536 19.176 1.00 1.00 H new ATOM 0 HA3 GLY A 4 58.231 -6.183 18.606 1.00 1.00 H new ATOM 57 N GLY A 5 61.251 -4.856 18.718 1.00 1.00 N ATOM 58 CA GLY A 5 62.614 -5.083 19.182 1.00 1.00 C ATOM 59 C GLY A 5 62.948 -4.173 20.360 1.00 1.00 C ATOM 60 O GLY A 5 62.991 -2.951 20.220 1.00 1.00 O ATOM 0 H GLY A 5 61.143 -4.063 18.085 1.00 1.00 H new ATOM 0 HA2 GLY A 5 62.733 -6.125 19.478 1.00 1.00 H new ATOM 0 HA3 GLY A 5 63.315 -4.901 18.367 1.00 1.00 H new ATOM 64 N ASP A 6 63.182 -4.778 21.520 1.00 1.00 N ATOM 65 CA ASP A 6 63.511 -4.012 22.716 1.00 1.00 C ATOM 66 C ASP A 6 62.633 -2.769 22.815 1.00 1.00 C ATOM 67 O ASP A 6 62.992 -1.794 23.476 1.00 1.00 O ATOM 68 CB ASP A 6 64.983 -3.599 22.684 1.00 1.00 C ATOM 69 CG ASP A 6 65.157 -2.358 21.814 1.00 1.00 C ATOM 70 OD1 ASP A 6 65.005 -1.266 22.338 1.00 1.00 O ATOM 71 OD2 ASP A 6 65.439 -2.518 20.638 1.00 1.00 O ATOM 0 H ASP A 6 63.150 -5.788 21.657 1.00 1.00 H new ATOM 0 HA ASP A 6 63.330 -4.641 23.588 1.00 1.00 H new ATOM 0 HB2 ASP A 6 65.335 -3.396 23.696 1.00 1.00 H new ATOM 0 HB3 ASP A 6 65.590 -4.416 22.293 1.00 1.00 H new ATOM 76 N PHE A 7 61.481 -2.810 22.154 1.00 1.00 N ATOM 77 CA PHE A 7 60.559 -1.680 22.174 1.00 1.00 C ATOM 78 C PHE A 7 61.305 -0.375 21.916 1.00 1.00 C ATOM 79 O PHE A 7 61.111 0.613 22.624 1.00 1.00 O ATOM 80 CB PHE A 7 59.852 -1.607 23.529 1.00 1.00 C ATOM 81 CG PHE A 7 59.699 -3.000 24.093 1.00 1.00 C ATOM 82 CD1 PHE A 7 59.227 -4.036 23.280 1.00 1.00 C ATOM 83 CD2 PHE A 7 60.030 -3.253 25.430 1.00 1.00 C ATOM 84 CE1 PHE A 7 59.085 -5.327 23.803 1.00 1.00 C ATOM 85 CE2 PHE A 7 59.888 -4.544 25.953 1.00 1.00 C ATOM 86 CZ PHE A 7 59.416 -5.581 25.139 1.00 1.00 C ATOM 0 H PHE A 7 61.165 -3.607 21.602 1.00 1.00 H new ATOM 0 HA PHE A 7 59.820 -1.824 21.386 1.00 1.00 H new ATOM 0 HB2 PHE A 7 60.425 -0.985 24.217 1.00 1.00 H new ATOM 0 HB3 PHE A 7 58.874 -1.139 23.416 1.00 1.00 H new ATOM 0 HD1 PHE A 7 58.972 -3.840 22.249 1.00 1.00 H new ATOM 0 HD2 PHE A 7 60.395 -2.453 26.057 1.00 1.00 H new ATOM 0 HE1 PHE A 7 58.720 -6.127 23.176 1.00 1.00 H new ATOM 0 HE2 PHE A 7 60.142 -4.740 26.984 1.00 1.00 H new ATOM 0 HZ PHE A 7 59.307 -6.577 25.542 1.00 1.00 H new ATOM 96 N ASP A 8 62.158 -0.379 20.897 1.00 1.00 N ATOM 97 CA ASP A 8 62.929 0.811 20.555 1.00 1.00 C ATOM 98 C ASP A 8 62.012 2.023 20.425 1.00 1.00 C ATOM 99 O ASP A 8 60.800 1.883 20.266 1.00 1.00 O ATOM 100 CB ASP A 8 63.675 0.590 19.237 1.00 1.00 C ATOM 101 CG ASP A 8 64.708 1.691 19.031 1.00 1.00 C ATOM 102 OD1 ASP A 8 65.272 2.138 20.016 1.00 1.00 O ATOM 103 OD2 ASP A 8 64.919 2.073 17.892 1.00 1.00 O ATOM 0 H ASP A 8 62.332 -1.186 20.298 1.00 1.00 H new ATOM 0 HA ASP A 8 63.649 0.997 21.352 1.00 1.00 H new ATOM 0 HB2 ASP A 8 64.166 -0.383 19.246 1.00 1.00 H new ATOM 0 HB3 ASP A 8 62.969 0.583 18.407 1.00 1.00 H new ATOM 108 N ASN A 9 62.600 3.214 20.494 1.00 1.00 N ATOM 109 CA ASN A 9 61.827 4.445 20.383 1.00 1.00 C ATOM 110 C ASN A 9 61.556 4.777 18.920 1.00 1.00 C ATOM 111 O ASN A 9 60.961 5.809 18.607 1.00 1.00 O ATOM 112 CB ASN A 9 62.585 5.600 21.039 1.00 1.00 C ATOM 113 CG ASN A 9 64.059 5.540 20.654 1.00 1.00 C ATOM 114 OD1 ASN A 9 64.392 5.236 19.429 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 64.931 5.777 21.490 1.00 1.00 N flip ATOM 0 H ASN A 9 63.602 3.352 20.625 1.00 1.00 H new ATOM 0 HA ASN A 9 60.875 4.301 20.893 1.00 1.00 H new ATOM 0 HB2 ASN A 9 62.157 6.552 20.725 1.00 1.00 H new ATOM 0 HB3 ASN A 9 62.481 5.546 22.123 1.00 1.00 H new ATOM 0 HD21 ASN A 9 64.669 6.014 22.447 1.00 1.00 H new ATOM 0 HD22 ASN A 9 65.915 5.736 21.226 1.00 1.00 H new ATOM 122 N TYR A 10 61.998 3.898 18.026 1.00 1.00 N ATOM 123 CA TYR A 10 61.797 4.109 16.597 1.00 1.00 C ATOM 124 C TYR A 10 62.566 5.339 16.124 1.00 1.00 C ATOM 125 O TYR A 10 63.548 5.224 15.390 1.00 1.00 O ATOM 126 CB TYR A 10 60.307 4.289 16.299 1.00 1.00 C ATOM 127 CG TYR A 10 59.503 3.359 17.175 1.00 1.00 C ATOM 128 CD1 TYR A 10 59.492 1.984 16.912 1.00 1.00 C ATOM 129 CD2 TYR A 10 58.768 3.871 18.250 1.00 1.00 C ATOM 130 CE1 TYR A 10 58.746 1.122 17.723 1.00 1.00 C ATOM 131 CE2 TYR A 10 58.021 3.009 19.063 1.00 1.00 C ATOM 132 CZ TYR A 10 58.011 1.634 18.799 1.00 1.00 C ATOM 133 OH TYR A 10 57.276 0.784 19.600 1.00 1.00 O ATOM 0 H TYR A 10 62.494 3.039 18.263 1.00 1.00 H new ATOM 0 HA TYR A 10 62.170 3.234 16.064 1.00 1.00 H new ATOM 0 HB2 TYR A 10 60.011 5.322 16.480 1.00 1.00 H new ATOM 0 HB3 TYR A 10 60.107 4.079 15.248 1.00 1.00 H new ATOM 0 HD1 TYR A 10 60.060 1.589 16.083 1.00 1.00 H new ATOM 0 HD2 TYR A 10 58.777 4.932 18.453 1.00 1.00 H new ATOM 0 HE1 TYR A 10 58.737 0.061 17.519 1.00 1.00 H new ATOM 0 HE2 TYR A 10 57.453 3.404 19.892 1.00 1.00 H new ATOM 0 HH TYR A 10 56.827 1.302 20.301 1.00 1.00 H new ATOM 143 N TYR A 11 62.113 6.513 16.549 1.00 1.00 N ATOM 144 CA TYR A 11 62.767 7.759 16.163 1.00 1.00 C ATOM 145 C TYR A 11 62.506 8.066 14.691 1.00 1.00 C ATOM 146 O TYR A 11 63.106 7.458 13.805 1.00 1.00 O ATOM 147 CB TYR A 11 64.274 7.655 16.405 1.00 1.00 C ATOM 148 CG TYR A 11 64.780 8.949 16.996 1.00 1.00 C ATOM 149 CD1 TYR A 11 64.405 10.172 16.427 1.00 1.00 C ATOM 150 CD2 TYR A 11 65.623 8.926 18.113 1.00 1.00 C ATOM 151 CE1 TYR A 11 64.873 11.372 16.975 1.00 1.00 C ATOM 152 CE2 TYR A 11 66.092 10.126 18.661 1.00 1.00 C ATOM 153 CZ TYR A 11 65.717 11.350 18.092 1.00 1.00 C ATOM 154 OH TYR A 11 66.179 12.533 18.632 1.00 1.00 O ATOM 0 H TYR A 11 61.302 6.629 17.156 1.00 1.00 H new ATOM 0 HA TYR A 11 62.357 8.566 16.770 1.00 1.00 H new ATOM 0 HB2 TYR A 11 64.488 6.826 17.080 1.00 1.00 H new ATOM 0 HB3 TYR A 11 64.790 7.445 15.468 1.00 1.00 H new ATOM 0 HD1 TYR A 11 63.754 10.190 15.565 1.00 1.00 H new ATOM 0 HD2 TYR A 11 65.912 7.983 18.552 1.00 1.00 H new ATOM 0 HE1 TYR A 11 64.583 12.315 16.536 1.00 1.00 H new ATOM 0 HE2 TYR A 11 66.743 10.108 19.523 1.00 1.00 H new ATOM 0 HH TYR A 11 66.752 12.339 19.403 1.00 1.00 H new ATOM 164 N GLY A 12 61.608 9.013 14.440 1.00 1.00 N ATOM 165 CA GLY A 12 61.275 9.392 13.073 1.00 1.00 C ATOM 166 C GLY A 12 60.447 8.306 12.394 1.00 1.00 C ATOM 167 O GLY A 12 59.365 8.572 11.871 1.00 1.00 O ATOM 0 H GLY A 12 61.101 9.528 15.160 1.00 1.00 H new ATOM 0 HA2 GLY A 12 60.720 10.330 13.076 1.00 1.00 H new ATOM 0 HA3 GLY A 12 62.190 9.565 12.506 1.00 1.00 H new ATOM 171 N ALA A 13 60.963 7.082 12.407 1.00 1.00 N ATOM 172 CA ALA A 13 60.262 5.961 11.790 1.00 1.00 C ATOM 173 C ALA A 13 59.705 6.362 10.428 1.00 1.00 C ATOM 174 O ALA A 13 58.623 5.923 10.035 1.00 1.00 O ATOM 175 CB ALA A 13 59.120 5.499 12.695 1.00 1.00 C ATOM 0 H ALA A 13 61.857 6.841 12.834 1.00 1.00 H new ATOM 0 HA ALA A 13 60.970 5.144 11.653 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.601 4.662 12.228 1.00 1.00 H new ATOM 0 HB2 ALA A 13 59.523 5.184 13.658 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.420 6.321 12.846 1.00 1.00 H new ATOM 181 N ASP A 14 60.449 7.198 9.712 1.00 1.00 N ATOM 182 CA ASP A 14 60.020 7.652 8.395 1.00 1.00 C ATOM 183 C ASP A 14 58.550 8.060 8.422 1.00 1.00 C ATOM 184 O ASP A 14 57.904 8.160 7.380 1.00 1.00 O ATOM 185 CB ASP A 14 60.224 6.538 7.367 1.00 1.00 C ATOM 186 CG ASP A 14 60.471 7.139 5.988 1.00 1.00 C ATOM 187 OD1 ASP A 14 59.537 7.688 5.426 1.00 1.00 O ATOM 188 OD2 ASP A 14 61.592 7.044 5.514 1.00 1.00 O ATOM 0 H ASP A 14 61.346 7.573 10.019 1.00 1.00 H new ATOM 0 HA ASP A 14 60.620 8.518 8.116 1.00 1.00 H new ATOM 0 HB2 ASP A 14 61.069 5.914 7.658 1.00 1.00 H new ATOM 0 HB3 ASP A 14 59.346 5.892 7.339 1.00 1.00 H new ATOM 193 N ASN A 15 58.029 8.293 9.623 1.00 1.00 N ATOM 194 CA ASN A 15 56.635 8.689 9.776 1.00 1.00 C ATOM 195 C ASN A 15 56.424 10.112 9.266 1.00 1.00 C ATOM 196 O ASN A 15 55.408 10.413 8.640 1.00 1.00 O ATOM 197 CB ASN A 15 56.227 8.606 11.247 1.00 1.00 C ATOM 198 CG ASN A 15 54.836 7.992 11.369 1.00 1.00 C ATOM 199 OD1 ASN A 15 54.689 6.771 11.321 1.00 1.00 O ATOM 200 ND2 ASN A 15 53.800 8.771 11.523 1.00 1.00 N ATOM 0 H ASN A 15 58.548 8.215 10.498 1.00 1.00 H new ATOM 0 HA ASN A 15 56.017 8.009 9.190 1.00 1.00 H new ATOM 0 HB2 ASN A 15 56.949 8.004 11.800 1.00 1.00 H new ATOM 0 HB3 ASN A 15 56.234 9.601 11.692 1.00 1.00 H new ATOM 0 HD21 ASN A 15 52.866 8.368 11.604 1.00 1.00 H new ATOM 0 HD22 ASN A 15 53.924 9.783 11.563 1.00 1.00 H new ATOM 207 N GLN A 16 57.390 10.983 9.540 1.00 1.00 N ATOM 208 CA GLN A 16 57.299 12.371 9.105 1.00 1.00 C ATOM 209 C GLN A 16 58.145 12.596 7.855 1.00 1.00 C ATOM 210 O GLN A 16 58.826 13.614 7.729 1.00 1.00 O ATOM 211 CB GLN A 16 57.776 13.301 10.221 1.00 1.00 C ATOM 212 CG GLN A 16 57.490 12.658 11.579 1.00 1.00 C ATOM 213 CD GLN A 16 57.640 13.693 12.689 1.00 1.00 C ATOM 214 OE1 GLN A 16 56.972 13.602 13.719 1.00 1.00 O ATOM 215 NE2 GLN A 16 58.484 14.677 12.542 1.00 1.00 N ATOM 0 H GLN A 16 58.239 10.754 10.057 1.00 1.00 H new ATOM 0 HA GLN A 16 56.258 12.592 8.870 1.00 1.00 H new ATOM 0 HB2 GLN A 16 58.844 13.494 10.116 1.00 1.00 H new ATOM 0 HB3 GLN A 16 57.269 14.263 10.148 1.00 1.00 H new ATOM 0 HG2 GLN A 16 56.481 12.245 11.590 1.00 1.00 H new ATOM 0 HG3 GLN A 16 58.176 11.828 11.749 1.00 1.00 H new ATOM 0 HE21 GLN A 16 59.037 14.751 11.688 1.00 1.00 H new ATOM 0 HE22 GLN A 16 58.591 15.372 13.281 1.00 1.00 H new ATOM 224 N SER A 17 58.095 11.639 6.934 1.00 1.00 N ATOM 225 CA SER A 17 58.861 11.743 5.697 1.00 1.00 C ATOM 226 C SER A 17 58.292 10.808 4.635 1.00 1.00 C ATOM 227 O SER A 17 57.917 9.673 4.931 1.00 1.00 O ATOM 228 CB SER A 17 60.326 11.389 5.958 1.00 1.00 C ATOM 229 OG SER A 17 60.828 10.634 4.864 1.00 1.00 O ATOM 0 H SER A 17 57.537 10.789 7.019 1.00 1.00 H new ATOM 0 HA SER A 17 58.794 12.769 5.336 1.00 1.00 H new ATOM 0 HB2 SER A 17 60.914 12.297 6.088 1.00 1.00 H new ATOM 0 HB3 SER A 17 60.415 10.817 6.881 1.00 1.00 H new ATOM 0 HG SER A 17 61.767 10.406 5.027 1.00 1.00 H new ATOM 235 N GLU A 18 58.232 11.293 3.399 1.00 1.00 N ATOM 236 CA GLU A 18 57.709 10.495 2.298 1.00 1.00 C ATOM 237 C GLU A 18 56.487 9.697 2.742 1.00 1.00 C ATOM 238 O GLU A 18 56.274 8.566 2.304 1.00 1.00 O ATOM 239 CB GLU A 18 58.797 9.550 1.783 1.00 1.00 C ATOM 240 CG GLU A 18 58.802 9.562 0.253 1.00 1.00 C ATOM 241 CD GLU A 18 59.469 10.835 -0.257 1.00 1.00 C ATOM 242 OE1 GLU A 18 58.773 11.825 -0.407 1.00 1.00 O ATOM 243 OE2 GLU A 18 60.666 10.801 -0.492 1.00 1.00 O ATOM 0 H GLU A 18 58.538 12.230 3.136 1.00 1.00 H new ATOM 0 HA GLU A 18 57.405 11.166 1.494 1.00 1.00 H new ATOM 0 HB2 GLU A 18 59.771 9.859 2.163 1.00 1.00 H new ATOM 0 HB3 GLU A 18 58.618 8.539 2.149 1.00 1.00 H new ATOM 0 HG2 GLU A 18 59.333 8.688 -0.124 1.00 1.00 H new ATOM 0 HG3 GLU A 18 57.781 9.501 -0.123 1.00 1.00 H new ATOM 250 N CYS A 19 55.685 10.298 3.612 1.00 1.00 N ATOM 251 CA CYS A 19 54.483 9.641 4.112 1.00 1.00 C ATOM 252 C CYS A 19 53.242 10.188 3.413 1.00 1.00 C ATOM 253 O CYS A 19 52.647 11.168 3.863 1.00 1.00 O ATOM 254 CB CYS A 19 54.358 9.856 5.621 1.00 1.00 C ATOM 255 SG CYS A 19 53.281 8.585 6.326 1.00 1.00 S ATOM 0 H CYS A 19 55.843 11.234 3.985 1.00 1.00 H new ATOM 0 HA CYS A 19 54.563 8.574 3.903 1.00 1.00 H new ATOM 0 HB2 CYS A 19 55.342 9.813 6.088 1.00 1.00 H new ATOM 0 HB3 CYS A 19 53.951 10.846 5.825 1.00 1.00 H new ATOM 0 HG CYS A 19 53.177 8.767 7.609 1.00 1.00 H new ATOM 261 N GLU A 20 52.858 9.549 2.314 1.00 1.00 N ATOM 262 CA GLU A 20 51.686 9.981 1.562 1.00 1.00 C ATOM 263 C GLU A 20 51.841 11.430 1.111 1.00 1.00 C ATOM 264 O GLU A 20 50.857 12.112 0.827 1.00 1.00 O ATOM 265 CB GLU A 20 50.430 9.847 2.427 1.00 1.00 C ATOM 266 CG GLU A 20 50.502 8.548 3.233 1.00 1.00 C ATOM 267 CD GLU A 20 49.114 8.172 3.739 1.00 1.00 C ATOM 268 OE1 GLU A 20 48.338 7.653 2.954 1.00 1.00 O ATOM 269 OE2 GLU A 20 48.847 8.408 4.907 1.00 1.00 O ATOM 0 H GLU A 20 53.337 8.736 1.926 1.00 1.00 H new ATOM 0 HA GLU A 20 51.591 9.346 0.681 1.00 1.00 H new ATOM 0 HB2 GLU A 20 50.346 10.701 3.100 1.00 1.00 H new ATOM 0 HB3 GLU A 20 49.540 9.848 1.798 1.00 1.00 H new ATOM 0 HG2 GLU A 20 50.901 7.746 2.612 1.00 1.00 H new ATOM 0 HG3 GLU A 20 51.184 8.669 4.074 1.00 1.00 H new ATOM 276 N TYR A 21 53.085 11.895 1.049 1.00 1.00 N ATOM 277 CA TYR A 21 53.359 13.265 0.632 1.00 1.00 C ATOM 278 C TYR A 21 53.821 13.300 -0.821 1.00 1.00 C ATOM 279 O TYR A 21 54.331 14.315 -1.296 1.00 1.00 O ATOM 280 CB TYR A 21 54.437 13.878 1.527 1.00 1.00 C ATOM 281 CG TYR A 21 53.831 14.258 2.857 1.00 1.00 C ATOM 282 CD1 TYR A 21 53.038 15.406 2.963 1.00 1.00 C ATOM 283 CD2 TYR A 21 54.064 13.461 3.985 1.00 1.00 C ATOM 284 CE1 TYR A 21 52.475 15.758 4.197 1.00 1.00 C ATOM 285 CE2 TYR A 21 53.502 13.814 5.218 1.00 1.00 C ATOM 286 CZ TYR A 21 52.708 14.961 5.324 1.00 1.00 C ATOM 287 OH TYR A 21 52.155 15.308 6.539 1.00 1.00 O ATOM 0 H TYR A 21 53.914 11.347 1.281 1.00 1.00 H new ATOM 0 HA TYR A 21 52.440 13.843 0.723 1.00 1.00 H new ATOM 0 HB2 TYR A 21 55.249 13.167 1.675 1.00 1.00 H new ATOM 0 HB3 TYR A 21 54.867 14.757 1.047 1.00 1.00 H new ATOM 0 HD1 TYR A 21 52.860 16.021 2.093 1.00 1.00 H new ATOM 0 HD2 TYR A 21 54.676 12.575 3.904 1.00 1.00 H new ATOM 0 HE1 TYR A 21 51.862 16.643 4.279 1.00 1.00 H new ATOM 0 HE2 TYR A 21 53.682 13.200 6.088 1.00 1.00 H new ATOM 0 HH TYR A 21 52.414 14.649 7.216 1.00 1.00 H new ATOM 297 N THR A 22 53.639 12.185 -1.522 1.00 1.00 N ATOM 298 CA THR A 22 54.041 12.100 -2.921 1.00 1.00 C ATOM 299 C THR A 22 53.421 10.873 -3.582 1.00 1.00 C ATOM 300 O THR A 22 52.867 10.960 -4.679 1.00 1.00 O ATOM 301 CB THR A 22 55.565 12.022 -3.022 1.00 1.00 C ATOM 302 OG1 THR A 22 55.923 11.259 -4.167 1.00 1.00 O ATOM 303 CG2 THR A 22 56.129 11.357 -1.766 1.00 1.00 C ATOM 0 H THR A 22 53.219 11.334 -1.148 1.00 1.00 H new ATOM 0 HA THR A 22 53.689 12.993 -3.437 1.00 1.00 H new ATOM 0 HB THR A 22 55.976 13.028 -3.112 1.00 1.00 H new ATOM 0 HG1 THR A 22 56.899 11.209 -4.235 1.00 1.00 H new ATOM 0 HG21 THR A 22 57.215 11.302 -1.840 1.00 1.00 H new ATOM 0 HG22 THR A 22 55.854 11.943 -0.889 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.721 10.351 -1.672 1.00 1.00 H new ATOM 311 N ASP A 23 53.518 9.732 -2.909 1.00 1.00 N ATOM 312 CA ASP A 23 52.963 8.493 -3.441 1.00 1.00 C ATOM 313 C ASP A 23 51.438 8.524 -3.391 1.00 1.00 C ATOM 314 O ASP A 23 50.799 7.525 -3.062 1.00 1.00 O ATOM 315 CB ASP A 23 53.478 7.300 -2.634 1.00 1.00 C ATOM 316 CG ASP A 23 54.997 7.365 -2.520 1.00 1.00 C ATOM 317 OD1 ASP A 23 55.475 8.033 -1.618 1.00 1.00 O ATOM 318 OD2 ASP A 23 55.660 6.746 -3.335 1.00 1.00 O ATOM 0 H ASP A 23 53.972 9.639 -2.000 1.00 1.00 H new ATOM 0 HA ASP A 23 53.279 8.392 -4.479 1.00 1.00 H new ATOM 0 HB2 ASP A 23 53.030 7.302 -1.640 1.00 1.00 H new ATOM 0 HB3 ASP A 23 53.181 6.369 -3.116 1.00 1.00 H new ATOM 323 N TRP A 24 50.864 9.676 -3.719 1.00 1.00 N ATOM 324 CA TRP A 24 49.413 9.825 -3.708 1.00 1.00 C ATOM 325 C TRP A 24 48.991 11.019 -4.558 1.00 1.00 C ATOM 326 O TRP A 24 48.011 10.949 -5.300 1.00 1.00 O ATOM 327 CB TRP A 24 48.920 10.020 -2.272 1.00 1.00 C ATOM 328 CG TRP A 24 49.230 11.412 -1.823 1.00 1.00 C ATOM 329 CD1 TRP A 24 50.469 11.952 -1.765 1.00 1.00 C ATOM 330 CD2 TRP A 24 48.310 12.447 -1.370 1.00 1.00 C ATOM 331 NE1 TRP A 24 50.368 13.252 -1.305 1.00 1.00 N ATOM 332 CE2 TRP A 24 49.058 13.604 -1.047 1.00 1.00 C ATOM 333 CE3 TRP A 24 46.913 12.495 -1.208 1.00 1.00 C ATOM 334 CZ2 TRP A 24 48.443 14.767 -0.581 1.00 1.00 C ATOM 335 CZ3 TRP A 24 46.291 13.663 -0.739 1.00 1.00 C ATOM 336 CH2 TRP A 24 47.055 14.797 -0.427 1.00 1.00 C ATOM 0 H TRP A 24 51.376 10.514 -3.994 1.00 1.00 H new ATOM 0 HA TRP A 24 48.970 8.921 -4.126 1.00 1.00 H new ATOM 0 HB2 TRP A 24 47.846 9.839 -2.217 1.00 1.00 H new ATOM 0 HB3 TRP A 24 49.399 9.298 -1.611 1.00 1.00 H new ATOM 0 HD1 TRP A 24 51.387 11.450 -2.034 1.00 1.00 H new ATOM 0 HE1 TRP A 24 51.164 13.875 -1.172 1.00 1.00 H new ATOM 0 HE3 TRP A 24 46.315 11.628 -1.446 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 49.036 15.637 -0.341 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 45.218 13.688 -0.618 1.00 1.00 H new ATOM 0 HH2 TRP A 24 46.570 15.693 -0.068 1.00 1.00 H new ATOM 347 N LYS A 25 49.738 12.113 -4.447 1.00 1.00 N ATOM 348 CA LYS A 25 49.431 13.316 -5.211 1.00 1.00 C ATOM 349 C LYS A 25 47.928 13.575 -5.224 1.00 1.00 C ATOM 350 O LYS A 25 47.390 14.209 -4.315 1.00 1.00 O ATOM 351 CB LYS A 25 49.937 13.165 -6.647 1.00 1.00 C ATOM 352 CG LYS A 25 51.465 13.218 -6.659 1.00 1.00 C ATOM 353 CD LYS A 25 51.926 14.668 -6.826 1.00 1.00 C ATOM 354 CE LYS A 25 53.322 14.833 -6.224 1.00 1.00 C ATOM 355 NZ LYS A 25 53.905 16.130 -6.668 1.00 1.00 N ATOM 0 H LYS A 25 50.554 12.191 -3.840 1.00 1.00 H new ATOM 0 HA LYS A 25 49.929 14.162 -4.737 1.00 1.00 H new ATOM 0 HB2 LYS A 25 49.592 12.220 -7.068 1.00 1.00 H new ATOM 0 HB3 LYS A 25 49.530 13.960 -7.272 1.00 1.00 H new ATOM 0 HG2 LYS A 25 51.861 12.804 -5.731 1.00 1.00 H new ATOM 0 HG3 LYS A 25 51.854 12.606 -7.473 1.00 1.00 H new ATOM 0 HD2 LYS A 25 51.940 14.937 -7.882 1.00 1.00 H new ATOM 0 HD3 LYS A 25 51.225 15.342 -6.335 1.00 1.00 H new ATOM 0 HE2 LYS A 25 53.266 14.801 -5.136 1.00 1.00 H new ATOM 0 HE3 LYS A 25 53.963 14.008 -6.535 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 54.854 16.242 -6.259 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 53.972 16.143 -7.706 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 53.296 16.911 -6.350 1.00 1.00 H new ATOM 369 N SER A 26 47.256 13.081 -6.259 1.00 1.00 N ATOM 370 CA SER A 26 45.815 13.265 -6.378 1.00 1.00 C ATOM 371 C SER A 26 45.266 12.453 -7.548 1.00 1.00 C ATOM 372 O SER A 26 45.753 12.563 -8.674 1.00 1.00 O ATOM 373 CB SER A 26 45.493 14.744 -6.587 1.00 1.00 C ATOM 374 OG SER A 26 45.652 15.070 -7.962 1.00 1.00 O ATOM 0 H SER A 26 47.682 12.554 -7.021 1.00 1.00 H new ATOM 0 HA SER A 26 45.346 12.918 -5.457 1.00 1.00 H new ATOM 0 HB2 SER A 26 44.472 14.954 -6.267 1.00 1.00 H new ATOM 0 HB3 SER A 26 46.152 15.361 -5.977 1.00 1.00 H new ATOM 0 HG SER A 26 46.018 14.297 -8.441 1.00 1.00 H new ATOM 380 N SER A 27 44.253 11.639 -7.273 1.00 1.00 N ATOM 381 CA SER A 27 43.646 10.813 -8.310 1.00 1.00 C ATOM 382 C SER A 27 42.326 11.420 -8.776 1.00 1.00 C ATOM 383 O SER A 27 41.290 10.757 -8.770 1.00 1.00 O ATOM 384 CB SER A 27 43.398 9.402 -7.776 1.00 1.00 C ATOM 385 OG SER A 27 42.872 9.485 -6.459 1.00 1.00 O ATOM 0 H SER A 27 43.837 11.534 -6.348 1.00 1.00 H new ATOM 0 HA SER A 27 44.331 10.767 -9.157 1.00 1.00 H new ATOM 0 HB2 SER A 27 42.701 8.872 -8.426 1.00 1.00 H new ATOM 0 HB3 SER A 27 44.328 8.833 -7.774 1.00 1.00 H new ATOM 0 HG SER A 27 42.710 8.582 -6.114 1.00 1.00 H new ATOM 391 N GLY A 28 42.374 12.686 -9.178 1.00 1.00 N ATOM 392 CA GLY A 28 41.177 13.373 -9.645 1.00 1.00 C ATOM 393 C GLY A 28 41.112 14.793 -9.093 1.00 1.00 C ATOM 394 O GLY A 28 40.497 15.675 -9.691 1.00 1.00 O ATOM 0 H GLY A 28 43.222 13.253 -9.190 1.00 1.00 H new ATOM 0 HA2 GLY A 28 41.172 13.402 -10.735 1.00 1.00 H new ATOM 0 HA3 GLY A 28 40.291 12.818 -9.336 1.00 1.00 H new ATOM 398 N ALA A 29 41.750 15.006 -7.946 1.00 1.00 N ATOM 399 CA ALA A 29 41.758 16.324 -7.321 1.00 1.00 C ATOM 400 C ALA A 29 40.442 16.578 -6.591 1.00 1.00 C ATOM 401 O ALA A 29 39.885 17.672 -6.660 1.00 1.00 O ATOM 402 CB ALA A 29 41.974 17.404 -8.381 1.00 1.00 C ATOM 0 H ALA A 29 42.264 14.289 -7.434 1.00 1.00 H new ATOM 0 HA ALA A 29 42.573 16.358 -6.599 1.00 1.00 H new ATOM 0 HB1 ALA A 29 41.979 18.385 -7.905 1.00 1.00 H new ATOM 0 HB2 ALA A 29 42.929 17.238 -8.880 1.00 1.00 H new ATOM 0 HB3 ALA A 29 41.169 17.360 -9.114 1.00 1.00 H new ATOM 408 N LEU A 30 39.951 15.557 -5.896 1.00 1.00 N ATOM 409 CA LEU A 30 38.699 15.679 -5.157 1.00 1.00 C ATOM 410 C LEU A 30 38.823 15.030 -3.783 1.00 1.00 C ATOM 411 O LEU A 30 37.825 14.812 -3.097 1.00 1.00 O ATOM 412 CB LEU A 30 37.565 15.013 -5.939 1.00 1.00 C ATOM 413 CG LEU A 30 37.875 13.525 -6.118 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.864 12.694 -5.326 1.00 1.00 C ATOM 415 CD2 LEU A 30 37.780 13.161 -7.602 1.00 1.00 C ATOM 0 H LEU A 30 40.397 14.642 -5.829 1.00 1.00 H new ATOM 0 HA LEU A 30 38.477 16.738 -5.026 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.621 15.138 -5.409 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.450 15.491 -6.912 1.00 1.00 H new ATOM 0 HG LEU A 30 38.881 13.317 -5.754 1.00 1.00 H new ATOM 0 HD11 LEU A 30 37.085 11.634 -5.453 1.00 1.00 H new ATOM 0 HD12 LEU A 30 36.928 12.953 -4.269 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.858 12.901 -5.690 1.00 1.00 H new ATOM 0 HD21 LEU A 30 38.001 12.101 -7.732 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.773 13.369 -7.964 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.499 13.753 -8.169 1.00 1.00 H new ATOM 427 N ILE A 31 40.055 14.725 -3.388 1.00 1.00 N ATOM 428 CA ILE A 31 40.297 14.101 -2.092 1.00 1.00 C ATOM 429 C ILE A 31 40.266 15.131 -0.958 1.00 1.00 C ATOM 430 O ILE A 31 39.829 14.816 0.149 1.00 1.00 O ATOM 431 CB ILE A 31 41.646 13.370 -2.089 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.840 12.630 -3.416 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.670 12.358 -0.942 1.00 1.00 C ATOM 434 CD1 ILE A 31 42.838 13.393 -4.288 1.00 1.00 C ATOM 0 H ILE A 31 40.894 14.898 -3.941 1.00 1.00 H new ATOM 0 HA ILE A 31 39.497 13.381 -1.923 1.00 1.00 H new ATOM 0 HB ILE A 31 42.448 14.097 -1.960 1.00 1.00 H new ATOM 0 HG12 ILE A 31 42.203 11.619 -3.230 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.886 12.536 -3.935 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.627 11.837 -0.937 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.535 12.879 0.006 1.00 1.00 H new ATOM 0 HG23 ILE A 31 40.864 11.636 -1.077 1.00 1.00 H new ATOM 0 HD11 ILE A 31 42.975 12.865 -5.232 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.457 14.395 -4.485 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.794 13.463 -3.770 1.00 1.00 H new ATOM 446 N PRO A 32 40.718 16.345 -1.192 1.00 1.00 N ATOM 447 CA PRO A 32 40.725 17.405 -0.139 1.00 1.00 C ATOM 448 C PRO A 32 39.322 17.697 0.387 1.00 1.00 C ATOM 449 O PRO A 32 39.144 18.032 1.558 1.00 1.00 O ATOM 450 CB PRO A 32 41.308 18.637 -0.843 1.00 1.00 C ATOM 451 CG PRO A 32 42.000 18.120 -2.059 1.00 1.00 C ATOM 452 CD PRO A 32 41.263 16.846 -2.464 1.00 1.00 C ATOM 0 HA PRO A 32 41.304 17.102 0.733 1.00 1.00 H new ATOM 0 HB2 PRO A 32 40.522 19.343 -1.111 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.004 19.167 -0.192 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.975 18.856 -2.863 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.049 17.912 -1.850 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.473 17.052 -3.186 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.935 16.123 -2.925 1.00 1.00 H new ATOM 460 N ALA A 33 38.329 17.566 -0.487 1.00 1.00 N ATOM 461 CA ALA A 33 36.945 17.818 -0.100 1.00 1.00 C ATOM 462 C ALA A 33 36.449 16.733 0.850 1.00 1.00 C ATOM 463 O ALA A 33 36.092 17.013 1.995 1.00 1.00 O ATOM 464 CB ALA A 33 36.055 17.857 -1.344 1.00 1.00 C ATOM 0 H ALA A 33 38.455 17.289 -1.461 1.00 1.00 H new ATOM 0 HA ALA A 33 36.898 18.780 0.410 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.023 18.046 -1.047 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.393 18.652 -2.008 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.114 16.901 -1.864 1.00 1.00 H new ATOM 470 N ILE A 34 36.427 15.496 0.367 1.00 1.00 N ATOM 471 CA ILE A 34 35.970 14.376 1.183 1.00 1.00 C ATOM 472 C ILE A 34 36.730 14.332 2.505 1.00 1.00 C ATOM 473 O ILE A 34 36.186 13.928 3.533 1.00 1.00 O ATOM 474 CB ILE A 34 36.177 13.061 0.430 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.338 13.072 -0.850 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.742 11.891 1.314 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.920 12.071 -1.851 1.00 1.00 C ATOM 0 H ILE A 34 36.718 15.244 -0.578 1.00 1.00 H new ATOM 0 HA ILE A 34 34.909 14.512 1.390 1.00 1.00 H new ATOM 0 HB ILE A 34 37.231 12.950 0.175 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.304 12.814 -0.622 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.329 14.072 -1.283 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.890 10.954 0.777 1.00 1.00 H new ATOM 0 HG22 ILE A 34 36.338 11.884 2.227 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.688 12.000 1.569 1.00 1.00 H new ATOM 0 HD11 ILE A 34 35.322 12.079 -2.763 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.947 12.349 -2.088 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.906 11.072 -1.416 1.00 1.00 H new ATOM 489 N TYR A 35 37.993 14.749 2.471 1.00 1.00 N ATOM 490 CA TYR A 35 38.818 14.752 3.673 1.00 1.00 C ATOM 491 C TYR A 35 38.468 15.942 4.560 1.00 1.00 C ATOM 492 O TYR A 35 38.823 15.976 5.739 1.00 1.00 O ATOM 493 CB TYR A 35 40.297 14.817 3.289 1.00 1.00 C ATOM 494 CG TYR A 35 41.132 15.009 4.532 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.336 16.294 5.048 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.702 13.901 5.170 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.110 16.472 6.201 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.476 14.078 6.323 1.00 1.00 C ATOM 499 CZ TYR A 35 42.680 15.363 6.839 1.00 1.00 C ATOM 500 OH TYR A 35 43.442 15.538 7.976 1.00 1.00 O ATOM 0 H TYR A 35 38.463 15.086 1.631 1.00 1.00 H new ATOM 0 HA TYR A 35 38.626 13.833 4.226 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.592 13.900 2.778 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.467 15.639 2.593 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.896 17.149 4.556 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.545 12.909 4.773 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.267 17.464 6.598 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.916 13.223 6.814 1.00 1.00 H new ATOM 0 HH TYR A 35 43.761 14.667 8.293 1.00 1.00 H new ATOM 510 N MET A 36 37.771 16.918 3.987 1.00 1.00 N ATOM 511 CA MET A 36 37.380 18.106 4.737 1.00 1.00 C ATOM 512 C MET A 36 36.042 17.882 5.436 1.00 1.00 C ATOM 513 O MET A 36 35.868 18.252 6.597 1.00 1.00 O ATOM 514 CB MET A 36 37.270 19.306 3.794 1.00 1.00 C ATOM 515 CG MET A 36 36.888 20.551 4.595 1.00 1.00 C ATOM 516 SD MET A 36 38.033 21.897 4.203 1.00 1.00 S ATOM 517 CE MET A 36 37.002 22.720 2.966 1.00 1.00 C ATOM 0 H MET A 36 37.467 16.910 3.013 1.00 1.00 H new ATOM 0 HA MET A 36 38.142 18.304 5.490 1.00 1.00 H new ATOM 0 HB2 MET A 36 38.218 19.467 3.281 1.00 1.00 H new ATOM 0 HB3 MET A 36 36.522 19.111 3.026 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.866 20.848 4.359 1.00 1.00 H new ATOM 0 HG3 MET A 36 36.918 20.333 5.663 1.00 1.00 H new ATOM 0 HE1 MET A 36 37.524 23.596 2.582 1.00 1.00 H new ATOM 0 HE2 MET A 36 36.798 22.031 2.146 1.00 1.00 H new ATOM 0 HE3 MET A 36 36.062 23.029 3.423 1.00 1.00 H new ATOM 527 N LEU A 37 35.100 17.274 4.721 1.00 1.00 N ATOM 528 CA LEU A 37 33.782 17.006 5.283 1.00 1.00 C ATOM 529 C LEU A 37 33.845 15.843 6.267 1.00 1.00 C ATOM 530 O LEU A 37 32.830 15.212 6.563 1.00 1.00 O ATOM 531 CB LEU A 37 32.793 16.676 4.163 1.00 1.00 C ATOM 532 CG LEU A 37 32.914 17.721 3.051 1.00 1.00 C ATOM 533 CD1 LEU A 37 31.887 17.424 1.958 1.00 1.00 C ATOM 534 CD2 LEU A 37 32.652 19.113 3.631 1.00 1.00 C ATOM 0 H LEU A 37 35.224 16.960 3.758 1.00 1.00 H new ATOM 0 HA LEU A 37 33.446 17.898 5.813 1.00 1.00 H new ATOM 0 HB2 LEU A 37 32.996 15.681 3.766 1.00 1.00 H new ATOM 0 HB3 LEU A 37 31.776 16.662 4.554 1.00 1.00 H new ATOM 0 HG LEU A 37 33.917 17.686 2.626 1.00 1.00 H new ATOM 0 HD11 LEU A 37 31.973 18.168 1.166 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.071 16.432 1.545 1.00 1.00 H new ATOM 0 HD13 LEU A 37 30.884 17.460 2.382 1.00 1.00 H new ATOM 0 HD21 LEU A 37 32.738 19.859 2.841 1.00 1.00 H new ATOM 0 HD22 LEU A 37 31.648 19.147 4.055 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.383 19.326 4.411 1.00 1.00 H new ATOM 546 N VAL A 38 35.042 15.566 6.772 1.00 1.00 N ATOM 547 CA VAL A 38 35.226 14.475 7.723 1.00 1.00 C ATOM 548 C VAL A 38 36.248 14.859 8.788 1.00 1.00 C ATOM 549 O VAL A 38 36.342 14.214 9.832 1.00 1.00 O ATOM 550 CB VAL A 38 35.696 13.218 6.991 1.00 1.00 C ATOM 551 CG1 VAL A 38 36.021 12.125 8.011 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.588 12.727 6.056 1.00 1.00 C ATOM 0 H VAL A 38 35.894 16.077 6.541 1.00 1.00 H new ATOM 0 HA VAL A 38 34.270 14.276 8.208 1.00 1.00 H new ATOM 0 HB VAL A 38 36.588 13.450 6.409 1.00 1.00 H new ATOM 0 HG11 VAL A 38 36.356 11.229 7.489 1.00 1.00 H new ATOM 0 HG12 VAL A 38 36.810 12.473 8.678 1.00 1.00 H new ATOM 0 HG13 VAL A 38 35.129 11.894 8.593 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.923 11.831 5.534 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.696 12.496 6.639 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.355 13.505 5.329 1.00 1.00 H new ATOM 562 N PHE A 39 37.011 15.912 8.515 1.00 1.00 N ATOM 563 CA PHE A 39 38.023 16.374 9.458 1.00 1.00 C ATOM 564 C PHE A 39 37.379 17.170 10.589 1.00 1.00 C ATOM 565 O PHE A 39 38.006 17.424 11.618 1.00 1.00 O ATOM 566 CB PHE A 39 39.050 17.248 8.736 1.00 1.00 C ATOM 567 CG PHE A 39 39.810 18.073 9.749 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.497 17.438 10.791 1.00 1.00 C ATOM 569 CD2 PHE A 39 39.830 19.469 9.647 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.203 18.198 11.730 1.00 1.00 C ATOM 571 CE2 PHE A 39 40.535 20.230 10.587 1.00 1.00 C ATOM 572 CZ PHE A 39 41.222 19.594 11.628 1.00 1.00 C ATOM 0 H PHE A 39 36.949 16.458 7.656 1.00 1.00 H new ATOM 0 HA PHE A 39 38.522 15.502 9.882 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.740 16.624 8.168 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.549 17.901 8.021 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.482 16.361 10.870 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.301 19.959 8.843 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.733 17.708 12.533 1.00 1.00 H new ATOM 0 HE2 PHE A 39 40.549 21.307 10.509 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.767 20.181 12.353 1.00 1.00 H new ATOM 582 N LEU A 40 36.124 17.560 10.390 1.00 1.00 N ATOM 583 CA LEU A 40 35.404 18.328 11.400 1.00 1.00 C ATOM 584 C LEU A 40 33.971 17.823 11.535 1.00 1.00 C ATOM 585 O LEU A 40 33.249 18.216 12.452 1.00 1.00 O ATOM 586 CB LEU A 40 35.391 19.810 11.019 1.00 1.00 C ATOM 587 CG LEU A 40 34.883 19.964 9.585 1.00 1.00 C ATOM 588 CD1 LEU A 40 33.853 21.093 9.527 1.00 1.00 C ATOM 589 CD2 LEU A 40 36.058 20.298 8.663 1.00 1.00 C ATOM 0 H LEU A 40 35.588 17.359 9.546 1.00 1.00 H new ATOM 0 HA LEU A 40 35.913 18.204 12.356 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.752 20.367 11.704 1.00 1.00 H new ATOM 0 HB3 LEU A 40 36.394 20.228 11.108 1.00 1.00 H new ATOM 0 HG LEU A 40 34.419 19.032 9.261 1.00 1.00 H new ATOM 0 HD11 LEU A 40 33.491 21.203 8.505 1.00 1.00 H new ATOM 0 HD12 LEU A 40 33.017 20.857 10.185 1.00 1.00 H new ATOM 0 HD13 LEU A 40 34.316 22.025 9.850 1.00 1.00 H new ATOM 0 HD21 LEU A 40 35.698 20.408 7.640 1.00 1.00 H new ATOM 0 HD22 LEU A 40 36.521 21.230 8.987 1.00 1.00 H new ATOM 0 HD23 LEU A 40 36.793 19.494 8.704 1.00 1.00 H new ATOM 601 N LEU A 41 33.568 16.950 10.618 1.00 1.00 N ATOM 602 CA LEU A 41 32.218 16.398 10.645 1.00 1.00 C ATOM 603 C LEU A 41 32.244 14.904 10.333 1.00 1.00 C ATOM 604 O LEU A 41 31.668 14.458 9.341 1.00 1.00 O ATOM 605 CB LEU A 41 31.338 17.119 9.623 1.00 1.00 C ATOM 606 CG LEU A 41 30.849 18.442 10.213 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.596 19.443 9.084 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.548 18.205 10.984 1.00 1.00 C ATOM 0 H LEU A 41 34.151 16.611 9.853 1.00 1.00 H new ATOM 0 HA LEU A 41 31.807 16.542 11.644 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.901 17.303 8.708 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.488 16.493 9.353 1.00 1.00 H new ATOM 0 HG LEU A 41 31.606 18.840 10.888 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.247 20.386 9.505 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.521 19.612 8.533 1.00 1.00 H new ATOM 0 HD13 LEU A 41 29.839 19.046 8.408 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.198 19.147 11.405 1.00 1.00 H new ATOM 0 HD22 LEU A 41 28.792 17.807 10.308 1.00 1.00 H new ATOM 0 HD23 LEU A 41 29.727 17.492 11.789 1.00 1.00 H new ATOM 620 N GLY A 42 32.913 14.137 11.187 1.00 1.00 N ATOM 621 CA GLY A 42 33.008 12.696 10.993 1.00 1.00 C ATOM 622 C GLY A 42 33.985 12.075 11.984 1.00 1.00 C ATOM 623 O GLY A 42 33.878 10.896 12.320 1.00 1.00 O ATOM 0 H GLY A 42 33.395 14.487 12.015 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.024 12.243 11.115 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.333 12.483 9.975 1.00 1.00 H new ATOM 627 N THR A 43 34.937 12.882 12.447 1.00 1.00 N ATOM 628 CA THR A 43 35.934 12.411 13.402 1.00 1.00 C ATOM 629 C THR A 43 35.979 13.331 14.617 1.00 1.00 C ATOM 630 O THR A 43 35.971 12.869 15.758 1.00 1.00 O ATOM 631 CB THR A 43 37.312 12.371 12.734 1.00 1.00 C ATOM 632 OG1 THR A 43 37.449 11.155 12.012 1.00 1.00 O ATOM 633 CG2 THR A 43 38.406 12.459 13.800 1.00 1.00 C ATOM 0 H THR A 43 35.038 13.860 12.177 1.00 1.00 H new ATOM 0 HA THR A 43 35.660 11.408 13.729 1.00 1.00 H new ATOM 0 HB THR A 43 37.408 13.215 12.051 1.00 1.00 H new ATOM 0 HG1 THR A 43 38.329 11.127 11.582 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.384 12.430 13.320 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.300 13.392 14.353 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.314 11.617 14.487 1.00 1.00 H new ATOM 641 N THR A 44 36.024 14.635 14.364 1.00 1.00 N ATOM 642 CA THR A 44 36.068 15.612 15.445 1.00 1.00 C ATOM 643 C THR A 44 35.038 15.270 16.517 1.00 1.00 C ATOM 644 O THR A 44 35.247 15.541 17.700 1.00 1.00 O ATOM 645 CB THR A 44 35.790 17.012 14.892 1.00 1.00 C ATOM 646 OG1 THR A 44 36.985 17.546 14.338 1.00 1.00 O ATOM 647 CG2 THR A 44 35.298 17.922 16.018 1.00 1.00 C ATOM 0 H THR A 44 36.031 15.037 13.427 1.00 1.00 H new ATOM 0 HA THR A 44 37.061 15.589 15.893 1.00 1.00 H new ATOM 0 HB THR A 44 35.024 16.951 14.119 1.00 1.00 H new ATOM 0 HG1 THR A 44 36.885 18.513 14.217 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.101 18.918 15.621 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.381 17.513 16.442 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.061 17.985 16.794 1.00 1.00 H new ATOM 655 N GLY A 45 33.927 14.675 16.096 1.00 1.00 N ATOM 656 CA GLY A 45 32.872 14.300 17.030 1.00 1.00 C ATOM 657 C GLY A 45 33.459 13.717 18.310 1.00 1.00 C ATOM 658 O GLY A 45 33.631 14.422 19.304 1.00 1.00 O ATOM 0 H GLY A 45 33.734 14.443 15.121 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.265 15.173 17.269 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.211 13.570 16.563 1.00 1.00 H new ATOM 662 N ASN A 46 33.765 12.423 18.278 1.00 1.00 N ATOM 663 CA ASN A 46 34.333 11.753 19.443 1.00 1.00 C ATOM 664 C ASN A 46 35.277 10.637 19.011 1.00 1.00 C ATOM 665 O ASN A 46 35.629 9.765 19.806 1.00 1.00 O ATOM 666 CB ASN A 46 33.213 11.172 20.307 1.00 1.00 C ATOM 667 CG ASN A 46 33.434 11.549 21.768 1.00 1.00 C ATOM 668 OD1 ASN A 46 33.448 10.678 22.640 1.00 1.00 O ATOM 669 ND2 ASN A 46 33.608 12.801 22.091 1.00 1.00 N ATOM 0 H ASN A 46 33.631 11.822 17.465 1.00 1.00 H new ATOM 0 HA ASN A 46 34.896 12.485 20.022 1.00 1.00 H new ATOM 0 HB2 ASN A 46 32.248 11.548 19.968 1.00 1.00 H new ATOM 0 HB3 ASN A 46 33.187 10.087 20.202 1.00 1.00 H new ATOM 0 HD21 ASN A 46 33.756 13.060 23.066 1.00 1.00 H new ATOM 0 HD22 ASN A 46 33.596 13.521 21.368 1.00 1.00 H new ATOM 676 N GLY A 47 35.685 10.670 17.746 1.00 1.00 N ATOM 677 CA GLY A 47 36.590 9.655 17.219 1.00 1.00 C ATOM 678 C GLY A 47 38.045 10.068 17.410 1.00 1.00 C ATOM 679 O GLY A 47 38.884 9.843 16.538 1.00 1.00 O ATOM 0 H GLY A 47 35.406 11.383 17.072 1.00 1.00 H new ATOM 0 HA2 GLY A 47 36.409 8.705 17.722 1.00 1.00 H new ATOM 0 HA3 GLY A 47 36.389 9.498 16.159 1.00 1.00 H new ATOM 683 N LEU A 48 38.336 10.676 18.555 1.00 1.00 N ATOM 684 CA LEU A 48 39.694 11.118 18.850 1.00 1.00 C ATOM 685 C LEU A 48 40.388 10.131 19.784 1.00 1.00 C ATOM 686 O LEU A 48 41.576 10.267 20.074 1.00 1.00 O ATOM 687 CB LEU A 48 39.664 12.502 19.499 1.00 1.00 C ATOM 688 CG LEU A 48 38.795 13.441 18.661 1.00 1.00 C ATOM 689 CD1 LEU A 48 38.773 14.828 19.304 1.00 1.00 C ATOM 690 CD2 LEU A 48 39.375 13.545 17.248 1.00 1.00 C ATOM 0 H LEU A 48 37.656 10.873 19.289 1.00 1.00 H new ATOM 0 HA LEU A 48 40.250 11.168 17.914 1.00 1.00 H new ATOM 0 HB2 LEU A 48 39.269 12.431 20.512 1.00 1.00 H new ATOM 0 HB3 LEU A 48 40.676 12.900 19.578 1.00 1.00 H new ATOM 0 HG LEU A 48 37.780 13.048 18.611 1.00 1.00 H new ATOM 0 HD11 LEU A 48 38.154 15.496 18.706 1.00 1.00 H new ATOM 0 HD12 LEU A 48 38.362 14.756 20.311 1.00 1.00 H new ATOM 0 HD13 LEU A 48 39.788 15.222 19.354 1.00 1.00 H new ATOM 0 HD21 LEU A 48 38.757 14.214 16.649 1.00 1.00 H new ATOM 0 HD22 LEU A 48 40.390 13.938 17.299 1.00 1.00 H new ATOM 0 HD23 LEU A 48 39.391 12.557 16.788 1.00 1.00 H new ATOM 702 N VAL A 49 39.638 9.139 20.252 1.00 1.00 N ATOM 703 CA VAL A 49 40.191 8.135 21.152 1.00 1.00 C ATOM 704 C VAL A 49 40.530 6.858 20.389 1.00 1.00 C ATOM 705 O VAL A 49 41.068 5.908 20.957 1.00 1.00 O ATOM 706 CB VAL A 49 39.187 7.816 22.261 1.00 1.00 C ATOM 707 CG1 VAL A 49 39.700 6.643 23.096 1.00 1.00 C ATOM 708 CG2 VAL A 49 39.014 9.043 23.158 1.00 1.00 C ATOM 0 H VAL A 49 38.652 9.009 20.025 1.00 1.00 H new ATOM 0 HA VAL A 49 41.104 8.535 21.593 1.00 1.00 H new ATOM 0 HB VAL A 49 38.228 7.551 21.816 1.00 1.00 H new ATOM 0 HG11 VAL A 49 38.983 6.417 23.886 1.00 1.00 H new ATOM 0 HG12 VAL A 49 39.824 5.768 22.457 1.00 1.00 H new ATOM 0 HG13 VAL A 49 40.660 6.906 23.541 1.00 1.00 H new ATOM 0 HG21 VAL A 49 38.299 8.818 23.949 1.00 1.00 H new ATOM 0 HG22 VAL A 49 39.974 9.308 23.601 1.00 1.00 H new ATOM 0 HG23 VAL A 49 38.646 9.879 22.564 1.00 1.00 H new ATOM 718 N LEU A 50 40.215 6.846 19.098 1.00 1.00 N ATOM 719 CA LEU A 50 40.491 5.680 18.265 1.00 1.00 C ATOM 720 C LEU A 50 41.038 6.111 16.907 1.00 1.00 C ATOM 721 O LEU A 50 41.198 5.290 16.004 1.00 1.00 O ATOM 722 CB LEU A 50 39.213 4.864 18.067 1.00 1.00 C ATOM 723 CG LEU A 50 38.026 5.811 17.877 1.00 1.00 C ATOM 724 CD1 LEU A 50 37.061 5.221 16.849 1.00 1.00 C ATOM 725 CD2 LEU A 50 37.300 5.992 19.213 1.00 1.00 C ATOM 0 H LEU A 50 39.772 7.623 18.608 1.00 1.00 H new ATOM 0 HA LEU A 50 41.238 5.066 18.768 1.00 1.00 H new ATOM 0 HB2 LEU A 50 39.315 4.213 17.198 1.00 1.00 H new ATOM 0 HB3 LEU A 50 39.043 4.220 18.930 1.00 1.00 H new ATOM 0 HG LEU A 50 38.386 6.777 17.524 1.00 1.00 H new ATOM 0 HD11 LEU A 50 36.216 5.896 16.714 1.00 1.00 H new ATOM 0 HD12 LEU A 50 37.577 5.091 15.898 1.00 1.00 H new ATOM 0 HD13 LEU A 50 36.701 4.254 17.201 1.00 1.00 H new ATOM 0 HD21 LEU A 50 36.454 6.666 19.079 1.00 1.00 H new ATOM 0 HD22 LEU A 50 36.941 5.025 19.566 1.00 1.00 H new ATOM 0 HD23 LEU A 50 37.987 6.413 19.946 1.00 1.00 H new ATOM 737 N TRP A 51 41.324 7.401 16.772 1.00 1.00 N ATOM 738 CA TRP A 51 41.852 7.929 15.519 1.00 1.00 C ATOM 739 C TRP A 51 43.378 7.934 15.542 1.00 1.00 C ATOM 740 O TRP A 51 44.020 7.060 14.959 1.00 1.00 O ATOM 741 CB TRP A 51 41.339 9.351 15.292 1.00 1.00 C ATOM 742 CG TRP A 51 42.315 10.106 14.450 1.00 1.00 C ATOM 743 CD1 TRP A 51 42.720 9.737 13.212 1.00 1.00 C ATOM 744 CD2 TRP A 51 43.015 11.347 14.757 1.00 1.00 C ATOM 745 NE1 TRP A 51 43.624 10.673 12.741 1.00 1.00 N ATOM 746 CE2 TRP A 51 43.839 11.683 13.657 1.00 1.00 C ATOM 747 CE3 TRP A 51 43.016 12.203 15.873 1.00 1.00 C ATOM 748 CZ2 TRP A 51 44.634 12.830 13.663 1.00 1.00 C ATOM 749 CZ3 TRP A 51 43.815 13.358 15.883 1.00 1.00 C ATOM 750 CH2 TRP A 51 44.622 13.671 14.780 1.00 1.00 C ATOM 0 H TRP A 51 41.201 8.096 17.508 1.00 1.00 H new ATOM 0 HA TRP A 51 41.513 7.288 14.705 1.00 1.00 H new ATOM 0 HB2 TRP A 51 40.365 9.324 14.802 1.00 1.00 H new ATOM 0 HB3 TRP A 51 41.201 9.856 16.248 1.00 1.00 H new ATOM 0 HD1 TRP A 51 42.392 8.857 12.679 1.00 1.00 H new ATOM 0 HE1 TRP A 51 44.076 10.623 11.828 1.00 1.00 H new ATOM 0 HE3 TRP A 51 42.398 11.971 16.728 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 45.254 13.066 12.811 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 43.808 14.009 16.745 1.00 1.00 H new ATOM 0 HH2 TRP A 51 45.234 14.561 14.793 1.00 1.00 H new ATOM 761 N THR A 52 43.950 8.924 16.218 1.00 1.00 N ATOM 762 CA THR A 52 45.402 9.033 16.310 1.00 1.00 C ATOM 763 C THR A 52 45.979 7.865 17.104 1.00 1.00 C ATOM 764 O THR A 52 47.089 7.408 16.836 1.00 1.00 O ATOM 765 CB THR A 52 45.785 10.352 16.987 1.00 1.00 C ATOM 766 OG1 THR A 52 47.199 10.446 17.069 1.00 1.00 O ATOM 767 CG2 THR A 52 45.184 10.397 18.393 1.00 1.00 C ATOM 0 H THR A 52 43.436 9.657 16.707 1.00 1.00 H new ATOM 0 HA THR A 52 45.814 9.009 15.301 1.00 1.00 H new ATOM 0 HB THR A 52 45.400 11.188 16.403 1.00 1.00 H new ATOM 0 HG1 THR A 52 47.446 11.290 17.501 1.00 1.00 H new ATOM 0 HG21 THR A 52 45.456 11.336 18.875 1.00 1.00 H new ATOM 0 HG22 THR A 52 44.098 10.325 18.327 1.00 1.00 H new ATOM 0 HG23 THR A 52 45.568 9.563 18.980 1.00 1.00 H new ATOM 775 N VAL A 53 45.216 7.387 18.082 1.00 1.00 N ATOM 776 CA VAL A 53 45.661 6.272 18.909 1.00 1.00 C ATOM 777 C VAL A 53 45.909 5.035 18.050 1.00 1.00 C ATOM 778 O VAL A 53 46.760 4.204 18.373 1.00 1.00 O ATOM 779 CB VAL A 53 44.607 5.955 19.970 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.041 4.724 20.769 1.00 1.00 C ATOM 781 CG2 VAL A 53 44.462 7.150 20.915 1.00 1.00 C ATOM 0 H VAL A 53 44.293 7.751 18.320 1.00 1.00 H new ATOM 0 HA VAL A 53 46.593 6.555 19.398 1.00 1.00 H new ATOM 0 HB VAL A 53 43.651 5.755 19.485 1.00 1.00 H new ATOM 0 HG11 VAL A 53 44.290 4.498 21.526 1.00 1.00 H new ATOM 0 HG12 VAL A 53 45.147 3.873 20.097 1.00 1.00 H new ATOM 0 HG13 VAL A 53 45.996 4.924 21.255 1.00 1.00 H new ATOM 0 HG21 VAL A 53 43.711 6.926 21.672 1.00 1.00 H new ATOM 0 HG22 VAL A 53 45.418 7.349 21.400 1.00 1.00 H new ATOM 0 HG23 VAL A 53 44.154 8.028 20.347 1.00 1.00 H new ATOM 791 N PHE A 54 45.161 4.918 16.959 1.00 1.00 N ATOM 792 CA PHE A 54 45.309 3.778 16.061 1.00 1.00 C ATOM 793 C PHE A 54 46.698 3.767 15.432 1.00 1.00 C ATOM 794 O PHE A 54 47.262 2.706 15.165 1.00 1.00 O ATOM 795 CB PHE A 54 44.248 3.838 14.961 1.00 1.00 C ATOM 796 CG PHE A 54 43.821 2.436 14.595 1.00 1.00 C ATOM 797 CD1 PHE A 54 42.758 1.829 15.274 1.00 1.00 C ATOM 798 CD2 PHE A 54 44.488 1.745 13.578 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.362 0.530 14.935 1.00 1.00 C ATOM 800 CE2 PHE A 54 44.092 0.445 13.239 1.00 1.00 C ATOM 801 CZ PHE A 54 43.029 -0.161 13.917 1.00 1.00 C ATOM 0 H PHE A 54 44.451 5.593 16.676 1.00 1.00 H new ATOM 0 HA PHE A 54 45.179 2.864 16.641 1.00 1.00 H new ATOM 0 HB2 PHE A 54 43.388 4.414 15.302 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.646 4.349 14.084 1.00 1.00 H new ATOM 0 HD1 PHE A 54 42.244 2.363 16.059 1.00 1.00 H new ATOM 0 HD2 PHE A 54 45.308 2.214 13.054 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.542 0.061 15.459 1.00 1.00 H new ATOM 0 HE2 PHE A 54 44.607 -0.089 12.454 1.00 1.00 H new ATOM 0 HZ PHE A 54 42.723 -1.163 13.655 1.00 1.00 H new ATOM 811 N ARG A 55 47.245 4.956 15.197 1.00 1.00 N ATOM 812 CA ARG A 55 48.570 5.071 14.599 1.00 1.00 C ATOM 813 C ARG A 55 49.647 4.657 15.596 1.00 1.00 C ATOM 814 O ARG A 55 50.817 4.521 15.239 1.00 1.00 O ATOM 815 CB ARG A 55 48.815 6.513 14.148 1.00 1.00 C ATOM 816 CG ARG A 55 48.070 6.772 12.837 1.00 1.00 C ATOM 817 CD ARG A 55 46.583 6.473 13.027 1.00 1.00 C ATOM 818 NE ARG A 55 45.800 7.131 11.988 1.00 1.00 N ATOM 819 CZ ARG A 55 45.798 6.679 10.738 1.00 1.00 C ATOM 820 NH1 ARG A 55 46.505 5.629 10.424 1.00 1.00 N ATOM 821 NH2 ARG A 55 45.088 7.286 9.826 1.00 1.00 N ATOM 0 H ARG A 55 46.795 5.846 15.410 1.00 1.00 H new ATOM 0 HA ARG A 55 48.617 4.407 13.736 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.474 7.208 14.915 1.00 1.00 H new ATOM 0 HB3 ARG A 55 49.883 6.686 14.012 1.00 1.00 H new ATOM 0 HG2 ARG A 55 48.207 7.808 12.527 1.00 1.00 H new ATOM 0 HG3 ARG A 55 48.479 6.146 12.044 1.00 1.00 H new ATOM 0 HD2 ARG A 55 46.414 5.397 12.993 1.00 1.00 H new ATOM 0 HD3 ARG A 55 46.258 6.816 14.009 1.00 1.00 H new ATOM 0 HE ARG A 55 45.244 7.953 12.224 1.00 1.00 H new ATOM 0 HH11 ARG A 55 47.059 5.155 11.137 1.00 1.00 H new ATOM 0 HH12 ARG A 55 46.504 5.282 9.465 1.00 1.00 H new ATOM 0 HH21 ARG A 55 44.535 8.107 10.073 1.00 1.00 H new ATOM 0 HH22 ARG A 55 45.086 6.939 8.867 1.00 1.00 H new ATOM 835 N LYS A 56 49.243 4.459 16.847 1.00 1.00 N ATOM 836 CA LYS A 56 50.184 4.060 17.887 1.00 1.00 C ATOM 837 C LYS A 56 50.105 2.557 18.134 1.00 1.00 C ATOM 838 O LYS A 56 51.106 1.848 18.025 1.00 1.00 O ATOM 839 CB LYS A 56 49.873 4.808 19.185 1.00 1.00 C ATOM 840 CG LYS A 56 50.613 6.148 19.194 1.00 1.00 C ATOM 841 CD LYS A 56 50.255 6.936 17.932 1.00 1.00 C ATOM 842 CE LYS A 56 50.494 8.427 18.177 1.00 1.00 C ATOM 843 NZ LYS A 56 50.865 9.088 16.894 1.00 1.00 N ATOM 0 H LYS A 56 48.279 4.567 17.163 1.00 1.00 H new ATOM 0 HA LYS A 56 51.192 4.309 17.555 1.00 1.00 H new ATOM 0 HB2 LYS A 56 48.799 4.973 19.273 1.00 1.00 H new ATOM 0 HB3 LYS A 56 50.175 4.208 20.044 1.00 1.00 H new ATOM 0 HG2 LYS A 56 50.342 6.719 20.082 1.00 1.00 H new ATOM 0 HG3 LYS A 56 51.689 5.981 19.239 1.00 1.00 H new ATOM 0 HD2 LYS A 56 50.860 6.593 17.092 1.00 1.00 H new ATOM 0 HD3 LYS A 56 49.212 6.763 17.666 1.00 1.00 H new ATOM 0 HE2 LYS A 56 49.596 8.887 18.589 1.00 1.00 H new ATOM 0 HE3 LYS A 56 51.288 8.563 18.911 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 51.028 10.102 17.060 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 51.733 8.655 16.519 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 50.094 8.969 16.207 1.00 1.00 H new ATOM 857 N LYS A 57 48.911 2.078 18.465 1.00 1.00 N ATOM 858 CA LYS A 57 48.714 0.656 18.724 1.00 1.00 C ATOM 859 C LYS A 57 49.475 -0.185 17.703 1.00 1.00 C ATOM 860 O LYS A 57 49.998 -1.250 18.030 1.00 1.00 O ATOM 861 CB LYS A 57 47.225 0.315 18.660 1.00 1.00 C ATOM 862 CG LYS A 57 47.032 -1.181 18.913 1.00 1.00 C ATOM 863 CD LYS A 57 45.644 -1.424 19.507 1.00 1.00 C ATOM 864 CE LYS A 57 45.717 -1.336 21.033 1.00 1.00 C ATOM 865 NZ LYS A 57 46.341 -2.578 21.571 1.00 1.00 N ATOM 0 H LYS A 57 48.071 2.648 18.560 1.00 1.00 H new ATOM 0 HA LYS A 57 49.095 0.431 19.720 1.00 1.00 H new ATOM 0 HB2 LYS A 57 46.676 0.894 19.403 1.00 1.00 H new ATOM 0 HB3 LYS A 57 46.821 0.585 17.684 1.00 1.00 H new ATOM 0 HG2 LYS A 57 47.142 -1.735 17.981 1.00 1.00 H new ATOM 0 HG3 LYS A 57 47.800 -1.547 19.594 1.00 1.00 H new ATOM 0 HD2 LYS A 57 44.939 -0.687 19.123 1.00 1.00 H new ATOM 0 HD3 LYS A 57 45.275 -2.405 19.206 1.00 1.00 H new ATOM 0 HE2 LYS A 57 46.300 -0.465 21.331 1.00 1.00 H new ATOM 0 HE3 LYS A 57 44.718 -1.208 21.449 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.666 -3.063 22.196 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 46.597 -3.207 20.783 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 47.196 -2.332 22.109 1.00 1.00 H new ATOM 879 N GLY A 58 49.533 0.302 16.469 1.00 1.00 N ATOM 880 CA GLY A 58 50.233 -0.413 15.408 1.00 1.00 C ATOM 881 C GLY A 58 49.384 -1.561 14.873 1.00 1.00 C ATOM 882 O GLY A 58 48.786 -1.457 13.802 1.00 1.00 O ATOM 0 H GLY A 58 49.107 1.182 16.179 1.00 1.00 H new ATOM 0 HA2 GLY A 58 50.473 0.275 14.598 1.00 1.00 H new ATOM 0 HA3 GLY A 58 51.178 -0.801 15.788 1.00 1.00 H new ATOM 886 N HIS A 59 49.336 -2.656 15.626 1.00 1.00 N ATOM 887 CA HIS A 59 48.557 -3.818 15.217 1.00 1.00 C ATOM 888 C HIS A 59 48.446 -4.819 16.362 1.00 1.00 C ATOM 889 O HIS A 59 49.453 -5.315 16.867 1.00 1.00 O ATOM 890 CB HIS A 59 49.216 -4.492 14.011 1.00 1.00 C ATOM 891 CG HIS A 59 50.689 -4.185 14.008 1.00 1.00 C ATOM 892 ND1 HIS A 59 51.589 -4.000 15.028 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 51.410 -4.032 12.835 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 52.848 -3.736 14.498 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 52.684 -3.767 13.173 1.00 1.00 N flip ATOM 0 H HIS A 59 49.824 -2.762 16.516 1.00 1.00 H new ATOM 0 HA HIS A 59 47.557 -3.482 14.944 1.00 1.00 H new ATOM 0 HB2 HIS A 59 49.058 -5.570 14.052 1.00 1.00 H new ATOM 0 HB3 HIS A 59 48.758 -4.138 13.088 1.00 1.00 H new ATOM 0 HD2 HIS A 59 51.020 -4.111 11.831 1.00 1.00 H new ATOM 0 HE1 HIS A 59 53.762 -3.547 15.042 1.00 1.00 H new ATOM 0 HE2 HIS A 59 53.434 -3.609 12.500 1.00 1.00 H new ATOM 903 N HIS A 60 47.214 -5.111 16.769 1.00 1.00 N ATOM 904 CA HIS A 60 46.984 -6.054 17.857 1.00 1.00 C ATOM 905 C HIS A 60 45.551 -6.578 17.817 1.00 1.00 C ATOM 906 O HIS A 60 45.315 -7.778 17.960 1.00 1.00 O ATOM 907 CB HIS A 60 47.243 -5.374 19.202 1.00 1.00 C ATOM 908 CG HIS A 60 47.910 -6.345 20.136 1.00 1.00 C ATOM 909 ND1 HIS A 60 48.773 -5.933 21.138 1.00 1.00 N ATOM 910 CD2 HIS A 60 47.851 -7.714 20.232 1.00 1.00 C ATOM 911 CE1 HIS A 60 49.195 -7.033 21.789 1.00 1.00 C ATOM 912 NE2 HIS A 60 48.663 -8.146 21.276 1.00 1.00 N ATOM 0 H HIS A 60 46.367 -4.712 16.365 1.00 1.00 H new ATOM 0 HA HIS A 60 47.670 -6.893 17.737 1.00 1.00 H new ATOM 0 HB2 HIS A 60 47.874 -4.496 19.062 1.00 1.00 H new ATOM 0 HB3 HIS A 60 46.304 -5.026 19.632 1.00 1.00 H new ATOM 0 HD2 HIS A 60 47.263 -8.357 19.594 1.00 1.00 H new ATOM 0 HE1 HIS A 60 49.880 -7.018 22.624 1.00 1.00 H new ATOM 0 HE2 HIS A 60 48.819 -9.106 21.584 1.00 1.00 H new ATOM 920 N HIS A 61 44.600 -5.671 17.623 1.00 1.00 N ATOM 921 CA HIS A 61 43.194 -6.053 17.566 1.00 1.00 C ATOM 922 C HIS A 61 43.008 -7.282 16.681 1.00 1.00 C ATOM 923 O HIS A 61 43.844 -7.575 15.825 1.00 1.00 O ATOM 924 CB HIS A 61 42.360 -4.895 17.016 1.00 1.00 C ATOM 925 CG HIS A 61 41.248 -4.578 17.977 1.00 1.00 C ATOM 926 ND1 HIS A 61 41.010 -3.291 18.434 1.00 1.00 N ATOM 927 CD2 HIS A 61 40.299 -5.369 18.576 1.00 1.00 C ATOM 928 CE1 HIS A 61 39.957 -3.345 19.270 1.00 1.00 C ATOM 929 NE2 HIS A 61 39.485 -4.589 19.392 1.00 1.00 N ATOM 0 H HIS A 61 44.775 -4.673 17.503 1.00 1.00 H new ATOM 0 HA HIS A 61 42.861 -6.293 18.576 1.00 1.00 H new ATOM 0 HB2 HIS A 61 42.989 -4.017 16.869 1.00 1.00 H new ATOM 0 HB3 HIS A 61 41.949 -5.159 16.042 1.00 1.00 H new ATOM 0 HD2 HIS A 61 40.199 -6.435 18.435 1.00 1.00 H new ATOM 0 HE1 HIS A 61 39.544 -2.487 19.780 1.00 1.00 H new ATOM 0 HE2 HIS A 61 38.698 -4.900 19.961 1.00 1.00 H new ATOM 937 N HIS A 62 41.908 -7.997 16.893 1.00 1.00 N ATOM 938 CA HIS A 62 41.623 -9.192 16.108 1.00 1.00 C ATOM 939 C HIS A 62 40.132 -9.290 15.802 1.00 1.00 C ATOM 940 O HIS A 62 39.360 -8.390 16.133 1.00 1.00 O ATOM 941 CB HIS A 62 42.071 -10.438 16.873 1.00 1.00 C ATOM 942 CG HIS A 62 41.301 -10.540 18.161 1.00 1.00 C ATOM 943 ND1 HIS A 62 41.028 -9.433 18.949 1.00 1.00 N ATOM 944 CD2 HIS A 62 40.738 -11.611 18.812 1.00 1.00 C ATOM 945 CE1 HIS A 62 40.330 -9.857 20.019 1.00 1.00 C ATOM 946 NE2 HIS A 62 40.126 -11.177 19.985 1.00 1.00 N ATOM 0 H HIS A 62 41.204 -7.772 17.596 1.00 1.00 H new ATOM 0 HA HIS A 62 42.171 -9.125 15.168 1.00 1.00 H new ATOM 0 HB2 HIS A 62 41.906 -11.329 16.267 1.00 1.00 H new ATOM 0 HB3 HIS A 62 43.140 -10.386 17.079 1.00 1.00 H new ATOM 0 HD2 HIS A 62 40.766 -12.634 18.466 1.00 1.00 H new ATOM 0 HE1 HIS A 62 39.978 -9.209 20.808 1.00 1.00 H new ATOM 0 HE2 HIS A 62 39.629 -11.745 20.671 1.00 1.00 H new ATOM 954 N HIS A 63 39.734 -10.387 15.168 1.00 1.00 N ATOM 955 CA HIS A 63 38.331 -10.592 14.823 1.00 1.00 C ATOM 956 C HIS A 63 38.093 -12.032 14.380 1.00 1.00 C ATOM 957 O HIS A 63 37.758 -12.289 13.224 1.00 1.00 O ATOM 958 CB HIS A 63 37.927 -9.637 13.697 1.00 1.00 C ATOM 959 CG HIS A 63 36.529 -9.958 13.246 1.00 1.00 C ATOM 960 ND1 HIS A 63 36.188 -10.054 11.905 1.00 1.00 N ATOM 961 CD2 HIS A 63 35.373 -10.208 13.944 1.00 1.00 C ATOM 962 CE1 HIS A 63 34.877 -10.350 11.840 1.00 1.00 C ATOM 963 NE2 HIS A 63 34.332 -10.454 13.054 1.00 1.00 N ATOM 0 H HIS A 63 40.357 -11.143 14.884 1.00 1.00 H new ATOM 0 HA HIS A 63 37.725 -10.391 15.707 1.00 1.00 H new ATOM 0 HB2 HIS A 63 37.981 -8.605 14.044 1.00 1.00 H new ATOM 0 HB3 HIS A 63 38.621 -9.729 12.861 1.00 1.00 H new ATOM 0 HD2 HIS A 63 35.285 -10.213 15.020 1.00 1.00 H new ATOM 0 HE1 HIS A 63 34.332 -10.487 10.918 1.00 1.00 H new ATOM 0 HE2 HIS A 63 33.361 -10.668 13.281 1.00 1.00 H new ATOM 971 N HIS A 64 38.267 -12.967 15.309 1.00 1.00 N ATOM 972 CA HIS A 64 38.067 -14.379 15.004 1.00 1.00 C ATOM 973 C HIS A 64 36.825 -14.570 14.139 1.00 1.00 C ATOM 974 O HIS A 64 36.942 -15.197 13.100 1.00 1.00 O ATOM 975 CB HIS A 64 37.917 -15.177 16.301 1.00 1.00 C ATOM 976 CG HIS A 64 37.724 -16.632 15.974 1.00 1.00 C ATOM 977 ND1 HIS A 64 37.905 -17.133 14.694 1.00 1.00 N ATOM 978 CD2 HIS A 64 37.367 -17.708 16.750 1.00 1.00 C ATOM 979 CE1 HIS A 64 37.658 -18.455 14.736 1.00 1.00 C ATOM 980 NE2 HIS A 64 37.325 -18.857 15.966 1.00 1.00 N ATOM 981 OXT HIS A 64 35.775 -14.086 14.530 1.00 1.00 O ATOM 0 H HIS A 64 38.544 -12.775 16.272 1.00 1.00 H new ATOM 0 HA HIS A 64 38.937 -14.740 14.455 1.00 1.00 H new ATOM 0 HB2 HIS A 64 38.801 -15.048 16.925 1.00 1.00 H new ATOM 0 HB3 HIS A 64 37.067 -14.806 16.873 1.00 1.00 H new ATOM 0 HD1 HIS A 64 38.176 -16.597 13.870 1.00 1.00 H new ATOM 0 HD2 HIS A 64 37.152 -17.668 17.808 1.00 1.00 H new ATOM 0 HE1 HIS A 64 37.721 -19.111 13.880 1.00 1.00 H new TER 989 HIS A 64