USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 385 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 Set 1.1: A 39 CYS SG : rot -76:sc= 1.13 USER MOD Set 1.2: A 51 CYS SG : rot 150:sc= 1.5 USER MOD Set 2.1: A 13 CYS SG : rot 88:sc= -0.258 USER MOD Set 2.2: A 42 CYS SG : rot 180:sc= 0.419 USER MOD Set 3.1: A 25 CYS SG : rot 66:sc= 1.63 USER MOD Set 3.2: A 38 CYS SG : rot -75:sc= 0.994 USER MOD Set 4.1: A 27 ASN : amide:sc= 0.505 K(o=3.4,f=-0.62) USER MOD Set 4.2: A 34 CYS SG : rot -159:sc= 1.63 USER MOD Set 4.3: A 60 CYS SG : rot 84:sc= 1.3 USER MOD Single : A 6 HIS : no HE2:sc= 0.813 K(o=0.81,f=-3.1!) USER MOD Single : A 10 ASN : amide:sc= -0.704 X(o=-0.7,f=-0.27) USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000487 USER MOD Single : A 12 ASN : amide:sc=-0.00608 X(o=-0.0061,f=0) USER MOD Single : A 15 TYR OH : rot 169:sc= 0.024 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.699 K(o=-0.7,f=-9.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0877 F(o=-1.3!,f=-0.088) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -80:sc= 1.28 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.73! C(o=-1.7!,f=-3!) USER MOD Single : A 32 SER OG : rot 17:sc= 1.18 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.643 F(o=-1.7!,f=-0.64) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.38 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 58 ASN : amide:sc= 0.388 K(o=0.39,f=-0.27) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.071 X(o=-0.071,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -9.105 0.189 8.394 1.00 0.00 N ATOM 16 CA ASP A 2 -9.383 0.977 7.198 1.00 0.00 C ATOM 17 C ASP A 2 -8.087 1.706 6.781 1.00 0.00 C ATOM 18 O ASP A 2 -7.315 2.112 7.650 1.00 0.00 O ATOM 19 CB ASP A 2 -10.518 2.013 7.390 1.00 0.00 C ATOM 20 CG ASP A 2 -11.431 1.864 8.615 1.00 0.00 C ATOM 21 OD1 ASP A 2 -12.040 0.791 8.854 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.581 2.860 9.359 1.00 0.00 O ATOM 0 HA ASP A 2 -9.723 0.288 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.063 3.003 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.147 1.988 6.500 1.00 0.00 H new ATOM 27 N PRO A 3 -7.822 1.917 5.481 1.00 0.00 N ATOM 28 CA PRO A 3 -6.641 2.654 5.016 1.00 0.00 C ATOM 29 C PRO A 3 -6.747 4.166 5.225 1.00 0.00 C ATOM 30 O PRO A 3 -5.727 4.846 5.283 1.00 0.00 O ATOM 31 CB PRO A 3 -6.551 2.346 3.521 1.00 0.00 C ATOM 32 CG PRO A 3 -7.969 1.974 3.106 1.00 0.00 C ATOM 33 CD PRO A 3 -8.596 1.397 4.368 1.00 0.00 C ATOM 0 HA PRO A 3 -5.761 2.347 5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.190 3.209 2.962 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.857 1.528 3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.520 2.845 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.967 1.246 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.643 1.690 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.570 0.307 4.352 1.00 0.00 H new ATOM 41 N GLU A 4 -7.977 4.673 5.301 1.00 0.00 N ATOM 42 CA GLU A 4 -8.346 6.079 5.174 1.00 0.00 C ATOM 43 C GLU A 4 -7.530 6.995 6.090 1.00 0.00 C ATOM 44 O GLU A 4 -7.091 8.069 5.686 1.00 0.00 O ATOM 45 CB GLU A 4 -9.834 6.159 5.536 1.00 0.00 C ATOM 46 CG GLU A 4 -10.473 7.537 5.310 1.00 0.00 C ATOM 47 CD GLU A 4 -10.834 7.775 3.842 1.00 0.00 C ATOM 48 OE1 GLU A 4 -9.948 7.977 2.978 1.00 0.00 O ATOM 49 OE2 GLU A 4 -12.041 7.707 3.514 1.00 0.00 O ATOM 0 H GLU A 4 -8.789 4.077 5.462 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.143 6.424 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.378 5.420 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.955 5.884 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.371 7.623 5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.785 8.314 5.643 1.00 0.00 H new ATOM 56 N GLU A 5 -7.355 6.592 7.346 1.00 0.00 N ATOM 57 CA GLU A 5 -6.997 7.505 8.427 1.00 0.00 C ATOM 58 C GLU A 5 -5.505 7.419 8.777 1.00 0.00 C ATOM 59 O GLU A 5 -5.083 7.908 9.823 1.00 0.00 O ATOM 60 CB GLU A 5 -7.991 7.297 9.591 1.00 0.00 C ATOM 61 CG GLU A 5 -9.367 7.835 9.139 1.00 0.00 C ATOM 62 CD GLU A 5 -10.452 7.913 10.213 1.00 0.00 C ATOM 63 OE1 GLU A 5 -10.281 8.672 11.199 1.00 0.00 O ATOM 64 OE2 GLU A 5 -11.537 7.328 9.967 1.00 0.00 O ATOM 0 H GLU A 5 -7.458 5.622 7.643 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.103 8.545 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.060 6.240 9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.650 7.822 10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.224 8.833 8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.732 7.203 8.330 1.00 0.00 H new ATOM 71 N HIS A 6 -4.698 6.828 7.889 1.00 0.00 N ATOM 72 CA HIS A 6 -3.330 6.398 8.155 1.00 0.00 C ATOM 73 C HIS A 6 -2.358 6.826 7.043 1.00 0.00 C ATOM 74 O HIS A 6 -1.603 6.003 6.516 1.00 0.00 O ATOM 75 CB HIS A 6 -3.355 4.879 8.342 1.00 0.00 C ATOM 76 CG HIS A 6 -3.995 4.434 9.626 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.301 4.246 10.793 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.316 4.156 9.859 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.180 3.851 11.724 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.418 3.776 11.206 1.00 0.00 N ATOM 0 H HIS A 6 -4.994 6.631 6.933 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.958 6.881 9.058 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.890 4.429 7.506 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.333 4.502 8.307 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -2.299 4.382 10.928 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.123 4.217 9.144 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.928 3.624 12.749 1.00 0.00 H new ATOM 88 N PHE A 7 -2.379 8.101 6.658 1.00 0.00 N ATOM 89 CA PHE A 7 -1.483 8.647 5.644 1.00 0.00 C ATOM 90 C PHE A 7 -0.228 9.182 6.321 1.00 0.00 C ATOM 91 O PHE A 7 -0.336 9.999 7.238 1.00 0.00 O ATOM 92 CB PHE A 7 -2.180 9.772 4.855 1.00 0.00 C ATOM 93 CG PHE A 7 -2.324 9.469 3.379 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.203 9.056 2.632 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.578 9.593 2.753 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.349 8.698 1.284 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.715 9.255 1.398 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.615 8.753 0.681 1.00 0.00 C ATOM 0 H PHE A 7 -3.025 8.789 7.046 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.212 7.857 4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.168 9.946 5.281 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.613 10.695 4.975 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.230 9.015 3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.431 9.947 3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.490 8.381 0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.668 9.381 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.744 8.409 -0.335 1.00 0.00 H new ATOM 108 N ASP A 8 0.960 8.778 5.874 1.00 0.00 N ATOM 109 CA ASP A 8 2.206 9.420 6.300 1.00 0.00 C ATOM 110 C ASP A 8 3.251 9.299 5.180 1.00 0.00 C ATOM 111 O ASP A 8 4.258 8.598 5.340 1.00 0.00 O ATOM 112 CB ASP A 8 2.672 8.812 7.632 1.00 0.00 C ATOM 113 CG ASP A 8 3.800 9.603 8.298 1.00 0.00 C ATOM 114 OD1 ASP A 8 4.383 10.537 7.696 1.00 0.00 O ATOM 115 OD2 ASP A 8 4.140 9.265 9.454 1.00 0.00 O ATOM 0 H ASP A 8 1.088 8.009 5.216 1.00 0.00 H new ATOM 0 HA ASP A 8 2.051 10.484 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.824 8.757 8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.008 7.790 7.459 1.00 0.00 H new ATOM 120 N PRO A 9 3.000 9.922 4.008 1.00 0.00 N ATOM 121 CA PRO A 9 3.795 9.667 2.823 1.00 0.00 C ATOM 122 C PRO A 9 5.227 10.164 2.974 1.00 0.00 C ATOM 123 O PRO A 9 5.483 11.267 3.473 1.00 0.00 O ATOM 124 CB PRO A 9 3.095 10.343 1.647 1.00 0.00 C ATOM 125 CG PRO A 9 1.934 11.146 2.231 1.00 0.00 C ATOM 126 CD PRO A 9 1.967 10.911 3.740 1.00 0.00 C ATOM 0 HA PRO A 9 3.871 8.592 2.657 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.784 10.994 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.733 9.602 0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.039 12.206 2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.984 10.820 1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.180 11.840 4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.998 10.559 4.094 1.00 0.00 H new ATOM 134 N ASN A 10 6.154 9.369 2.454 1.00 0.00 N ATOM 135 CA ASN A 10 7.569 9.678 2.338 1.00 0.00 C ATOM 136 C ASN A 10 7.810 10.469 1.059 1.00 0.00 C ATOM 137 O ASN A 10 6.916 10.670 0.228 1.00 0.00 O ATOM 138 CB ASN A 10 8.394 8.387 2.274 1.00 0.00 C ATOM 139 CG ASN A 10 8.342 7.569 3.531 1.00 0.00 C ATOM 140 OD1 ASN A 10 9.219 7.638 4.387 1.00 0.00 O ATOM 141 ND2 ASN A 10 7.339 6.746 3.585 1.00 0.00 N ATOM 0 H ASN A 10 5.925 8.446 2.084 1.00 0.00 H new ATOM 0 HA ASN A 10 7.871 10.260 3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.037 7.780 1.442 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.432 8.641 2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.247 6.106 4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.644 6.740 2.839 1.00 0.00 H new ATOM 148 N THR A 11 9.069 10.830 0.849 1.00 0.00 N ATOM 149 CA THR A 11 9.549 11.582 -0.300 1.00 0.00 C ATOM 150 C THR A 11 9.782 10.632 -1.486 1.00 0.00 C ATOM 151 O THR A 11 10.874 10.532 -2.053 1.00 0.00 O ATOM 152 CB THR A 11 10.790 12.383 0.137 1.00 0.00 C ATOM 153 OG1 THR A 11 11.809 11.498 0.575 1.00 0.00 O ATOM 154 CG2 THR A 11 10.491 13.352 1.286 1.00 0.00 C ATOM 0 H THR A 11 9.815 10.596 1.504 1.00 0.00 H new ATOM 0 HA THR A 11 8.813 12.304 -0.655 1.00 0.00 H new ATOM 0 HB THR A 11 11.107 12.957 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.595 12.015 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.400 13.890 1.554 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.727 14.063 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.133 12.792 2.150 1.00 0.00 H new ATOM 162 N ASN A 12 8.741 9.869 -1.809 1.00 0.00 N ATOM 163 CA ASN A 12 8.677 8.926 -2.909 1.00 0.00 C ATOM 164 C ASN A 12 7.233 8.800 -3.385 1.00 0.00 C ATOM 165 O ASN A 12 7.000 8.678 -4.586 1.00 0.00 O ATOM 166 CB ASN A 12 9.211 7.564 -2.451 1.00 0.00 C ATOM 167 CG ASN A 12 9.516 6.682 -3.646 1.00 0.00 C ATOM 168 OD1 ASN A 12 8.872 5.664 -3.868 1.00 0.00 O ATOM 169 ND2 ASN A 12 10.544 7.016 -4.406 1.00 0.00 N ATOM 0 H ASN A 12 7.872 9.898 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 12 9.292 9.282 -3.736 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.113 7.703 -1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.477 7.076 -1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.812 6.423 -5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.070 7.867 -4.207 1.00 0.00 H new ATOM 176 N CYS A 13 6.272 8.880 -2.455 1.00 0.00 N ATOM 177 CA CYS A 13 4.846 8.778 -2.748 1.00 0.00 C ATOM 178 C CYS A 13 4.408 9.824 -3.775 1.00 0.00 C ATOM 179 O CYS A 13 4.842 10.983 -3.732 1.00 0.00 O ATOM 180 CB CYS A 13 4.047 8.939 -1.446 1.00 0.00 C ATOM 181 SG CYS A 13 2.244 8.886 -1.621 1.00 0.00 S ATOM 0 H CYS A 13 6.472 9.020 -1.465 1.00 0.00 H new ATOM 0 HA CYS A 13 4.651 7.796 -3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.350 8.152 -0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.322 9.889 -0.987 1.00 0.00 H new ATOM 0 HG CYS A 13 1.837 7.654 -1.544 1.00 0.00 H new ATOM 186 N ASP A 14 3.473 9.445 -4.645 1.00 0.00 N ATOM 187 CA ASP A 14 2.772 10.346 -5.552 1.00 0.00 C ATOM 188 C ASP A 14 1.305 10.421 -5.124 1.00 0.00 C ATOM 189 O ASP A 14 0.755 11.513 -5.008 1.00 0.00 O ATOM 190 CB ASP A 14 2.927 9.884 -7.014 1.00 0.00 C ATOM 191 CG ASP A 14 4.202 10.429 -7.670 1.00 0.00 C ATOM 192 OD1 ASP A 14 4.271 11.645 -7.954 1.00 0.00 O ATOM 193 OD2 ASP A 14 5.156 9.655 -7.923 1.00 0.00 O ATOM 0 H ASP A 14 3.175 8.474 -4.739 1.00 0.00 H new ATOM 0 HA ASP A 14 3.206 11.344 -5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.942 8.795 -7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.059 10.209 -7.588 1.00 0.00 H new ATOM 198 N TYR A 15 0.669 9.277 -4.865 1.00 0.00 N ATOM 199 CA TYR A 15 -0.776 9.152 -4.731 1.00 0.00 C ATOM 200 C TYR A 15 -1.228 9.437 -3.302 1.00 0.00 C ATOM 201 O TYR A 15 -0.940 8.667 -2.389 1.00 0.00 O ATOM 202 CB TYR A 15 -1.198 7.738 -5.142 1.00 0.00 C ATOM 203 CG TYR A 15 -0.915 7.327 -6.576 1.00 0.00 C ATOM 204 CD1 TYR A 15 -0.441 8.235 -7.547 1.00 0.00 C ATOM 205 CD2 TYR A 15 -1.169 5.997 -6.948 1.00 0.00 C ATOM 206 CE1 TYR A 15 -0.221 7.813 -8.865 1.00 0.00 C ATOM 207 CE2 TYR A 15 -0.969 5.571 -8.269 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.484 6.478 -9.232 1.00 0.00 C ATOM 209 OH TYR A 15 -0.301 6.067 -10.513 1.00 0.00 O ATOM 0 H TYR A 15 1.161 8.392 -4.740 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.251 9.886 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.699 7.029 -4.481 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.269 7.639 -4.966 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.247 9.261 -7.273 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.522 5.294 -6.208 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.150 8.511 -9.600 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.186 4.550 -8.547 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.365 5.090 -10.555 1.00 0.00 H new ATOM 219 N THR A 16 -1.996 10.507 -3.112 1.00 0.00 N ATOM 220 CA THR A 16 -2.372 10.996 -1.791 1.00 0.00 C ATOM 221 C THR A 16 -3.867 10.768 -1.480 1.00 0.00 C ATOM 222 O THR A 16 -4.447 11.491 -0.668 1.00 0.00 O ATOM 223 CB THR A 16 -1.866 12.441 -1.624 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.263 13.274 -2.698 1.00 0.00 O ATOM 225 CG2 THR A 16 -0.335 12.489 -1.559 1.00 0.00 C ATOM 0 H THR A 16 -2.377 11.063 -3.878 1.00 0.00 H new ATOM 0 HA THR A 16 -1.877 10.407 -1.019 1.00 0.00 H new ATOM 0 HB THR A 16 -2.306 12.801 -0.694 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.923 14.181 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.008 13.522 -1.441 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.012 11.899 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.081 12.080 -2.479 1.00 0.00 H new ATOM 233 N ASN A 17 -4.519 9.777 -2.115 1.00 0.00 N ATOM 234 CA ASN A 17 -5.952 9.493 -1.934 1.00 0.00 C ATOM 235 C ASN A 17 -6.259 8.526 -0.796 1.00 0.00 C ATOM 236 O ASN A 17 -6.903 8.913 0.173 1.00 0.00 O ATOM 237 CB ASN A 17 -6.591 8.941 -3.222 1.00 0.00 C ATOM 238 CG ASN A 17 -5.595 8.188 -4.073 1.00 0.00 C ATOM 239 OD1 ASN A 17 -5.141 7.110 -3.703 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.161 8.800 -5.157 1.00 0.00 N ATOM 0 H ASN A 17 -4.061 9.146 -2.773 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.384 10.460 -1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.418 8.280 -2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.011 9.764 -3.799 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.423 8.378 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.563 9.696 -5.433 1.00 0.00 H new ATOM 247 N SER A 18 -5.868 7.265 -0.962 1.00 0.00 N ATOM 248 CA SER A 18 -6.207 6.064 -0.207 1.00 0.00 C ATOM 249 C SER A 18 -6.264 4.964 -1.263 1.00 0.00 C ATOM 250 O SER A 18 -5.381 4.113 -1.293 1.00 0.00 O ATOM 251 CB SER A 18 -7.488 6.186 0.656 1.00 0.00 C ATOM 252 OG SER A 18 -7.984 4.940 1.119 1.00 0.00 O ATOM 0 H SER A 18 -5.228 7.035 -1.722 1.00 0.00 H new ATOM 0 HA SER A 18 -5.464 5.851 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.278 6.825 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.263 6.681 0.072 1.00 0.00 H new ATOM 0 HG SER A 18 -8.790 5.088 1.657 1.00 0.00 H new ATOM 258 N GLN A 19 -7.263 4.993 -2.155 1.00 0.00 N ATOM 259 CA GLN A 19 -7.615 3.817 -2.945 1.00 0.00 C ATOM 260 C GLN A 19 -6.594 3.531 -4.045 1.00 0.00 C ATOM 261 O GLN A 19 -6.201 2.379 -4.196 1.00 0.00 O ATOM 262 CB GLN A 19 -9.035 3.970 -3.508 1.00 0.00 C ATOM 263 CG GLN A 19 -9.573 2.707 -4.197 1.00 0.00 C ATOM 264 CD GLN A 19 -9.699 1.530 -3.235 1.00 0.00 C ATOM 265 OE1 GLN A 19 -8.866 0.516 -3.356 1.00 0.00 O flip ATOM 266 NE2 GLN A 19 -10.547 1.523 -2.345 1.00 0.00 N flip ATOM 0 H GLN A 19 -7.836 5.816 -2.343 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.596 2.949 -2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.709 4.244 -2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.045 4.793 -4.222 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.548 2.922 -4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.910 2.433 -5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.193 2.307 -2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.605 0.733 -1.702 1.00 0.00 H new ATOM 275 N ASP A 20 -6.142 4.543 -4.797 1.00 0.00 N ATOM 276 CA ASP A 20 -5.118 4.345 -5.833 1.00 0.00 C ATOM 277 C ASP A 20 -3.832 3.880 -5.163 1.00 0.00 C ATOM 278 O ASP A 20 -3.246 2.890 -5.589 1.00 0.00 O ATOM 279 CB ASP A 20 -4.800 5.628 -6.620 1.00 0.00 C ATOM 280 CG ASP A 20 -5.406 5.732 -8.015 1.00 0.00 C ATOM 281 OD1 ASP A 20 -6.605 5.431 -8.188 1.00 0.00 O ATOM 282 OD2 ASP A 20 -4.711 6.246 -8.925 1.00 0.00 O ATOM 0 H ASP A 20 -6.468 5.505 -4.708 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.511 3.610 -6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.141 6.482 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.717 5.715 -6.710 1.00 0.00 H new ATOM 287 N ALA A 21 -3.395 4.593 -4.119 1.00 0.00 N ATOM 288 CA ALA A 21 -2.175 4.272 -3.391 1.00 0.00 C ATOM 289 C ALA A 21 -2.216 2.812 -2.946 1.00 0.00 C ATOM 290 O ALA A 21 -1.370 2.015 -3.348 1.00 0.00 O ATOM 291 CB ALA A 21 -1.999 5.234 -2.212 1.00 0.00 C ATOM 0 H ALA A 21 -3.884 5.412 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.308 4.397 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.084 4.986 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.936 6.257 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.852 5.144 -1.539 1.00 0.00 H new ATOM 297 N TRP A 22 -3.248 2.456 -2.178 1.00 0.00 N ATOM 298 CA TRP A 22 -3.531 1.110 -1.720 1.00 0.00 C ATOM 299 C TRP A 22 -3.485 0.124 -2.879 1.00 0.00 C ATOM 300 O TRP A 22 -2.801 -0.890 -2.794 1.00 0.00 O ATOM 301 CB TRP A 22 -4.902 1.092 -1.035 1.00 0.00 C ATOM 302 CG TRP A 22 -5.338 -0.225 -0.489 1.00 0.00 C ATOM 303 CD1 TRP A 22 -5.989 -1.180 -1.186 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.195 -0.733 0.870 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.287 -2.225 -0.339 1.00 0.00 N ATOM 306 CE2 TRP A 22 -5.847 -1.996 0.948 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.612 -0.238 2.052 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -5.949 -2.715 2.150 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.739 -0.925 3.272 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.400 -2.159 3.318 1.00 0.00 C ATOM 0 H TRP A 22 -3.935 3.134 -1.848 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.770 0.804 -1.003 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.889 1.816 -0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.650 1.432 -1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.236 -1.133 -2.236 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.777 -3.071 -0.630 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.056 0.688 2.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.440 -3.677 2.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.326 -0.501 4.175 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.488 -2.686 4.256 1.00 0.00 H new ATOM 321 N ASP A 23 -4.215 0.366 -3.963 1.00 0.00 N ATOM 322 CA ASP A 23 -4.346 -0.593 -5.054 1.00 0.00 C ATOM 323 C ASP A 23 -2.989 -0.911 -5.663 1.00 0.00 C ATOM 324 O ASP A 23 -2.639 -2.082 -5.845 1.00 0.00 O ATOM 325 CB ASP A 23 -5.322 -0.076 -6.117 1.00 0.00 C ATOM 326 CG ASP A 23 -6.782 -0.290 -5.713 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.060 -1.100 -4.796 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.668 0.363 -6.304 1.00 0.00 O ATOM 0 H ASP A 23 -4.732 1.233 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.753 -1.519 -4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.145 0.986 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.130 -0.584 -7.062 1.00 0.00 H new ATOM 333 N TYR A 24 -2.191 0.120 -5.922 1.00 0.00 N ATOM 334 CA TYR A 24 -0.870 -0.050 -6.488 1.00 0.00 C ATOM 335 C TYR A 24 0.047 -0.753 -5.467 1.00 0.00 C ATOM 336 O TYR A 24 0.745 -1.700 -5.835 1.00 0.00 O ATOM 337 CB TYR A 24 -0.347 1.313 -6.964 1.00 0.00 C ATOM 338 CG TYR A 24 -0.916 1.785 -8.302 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.296 2.023 -8.479 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.049 2.014 -9.385 1.00 0.00 C ATOM 341 CE1 TYR A 24 -2.800 2.500 -9.703 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.548 2.429 -10.632 1.00 0.00 C ATOM 343 CZ TYR A 24 -1.926 2.679 -10.798 1.00 0.00 C ATOM 344 OH TYR A 24 -2.387 3.103 -12.008 1.00 0.00 O ATOM 0 H TYR A 24 -2.447 1.091 -5.744 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.897 -0.698 -7.364 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.576 2.060 -6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.739 1.262 -7.044 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.976 1.836 -7.661 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.014 1.869 -9.257 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.851 2.728 -9.805 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.126 2.557 -11.466 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.639 3.169 -12.638 1.00 0.00 H new ATOM 354 N CYS A 25 0.001 -0.368 -4.181 1.00 0.00 N ATOM 355 CA CYS A 25 0.758 -1.015 -3.097 1.00 0.00 C ATOM 356 C CYS A 25 0.458 -2.513 -3.007 1.00 0.00 C ATOM 357 O CYS A 25 1.362 -3.332 -2.831 1.00 0.00 O ATOM 358 CB CYS A 25 0.413 -0.423 -1.716 1.00 0.00 C ATOM 359 SG CYS A 25 0.819 1.299 -1.352 1.00 0.00 S ATOM 0 H CYS A 25 -0.572 0.413 -3.861 1.00 0.00 H new ATOM 0 HA CYS A 25 1.806 -0.841 -3.342 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.661 -0.542 -1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.907 -1.040 -0.965 1.00 0.00 H new ATOM 0 HG CYS A 25 0.114 2.081 -2.114 1.00 0.00 H new ATOM 364 N THR A 26 -0.823 -2.868 -3.074 1.00 0.00 N ATOM 365 CA THR A 26 -1.357 -4.196 -2.781 1.00 0.00 C ATOM 366 C THR A 26 -1.348 -5.090 -4.030 1.00 0.00 C ATOM 367 O THR A 26 -1.790 -6.242 -3.986 1.00 0.00 O ATOM 368 CB THR A 26 -2.719 -4.036 -2.092 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.694 -3.409 -2.903 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.571 -3.225 -0.798 1.00 0.00 C ATOM 0 H THR A 26 -1.551 -2.207 -3.347 1.00 0.00 H new ATOM 0 HA THR A 26 -0.716 -4.731 -2.080 1.00 0.00 H new ATOM 0 HB THR A 26 -3.063 -5.049 -1.883 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.558 -2.439 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.545 -3.120 -0.321 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.889 -3.740 -0.121 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.173 -2.237 -1.031 1.00 0.00 H new ATOM 378 N ASN A 27 -0.801 -4.575 -5.144 1.00 0.00 N ATOM 379 CA ASN A 27 -0.735 -5.216 -6.452 1.00 0.00 C ATOM 380 C ASN A 27 -2.134 -5.559 -6.981 1.00 0.00 C ATOM 381 O ASN A 27 -2.297 -6.484 -7.778 1.00 0.00 O ATOM 382 CB ASN A 27 0.172 -6.452 -6.393 1.00 0.00 C ATOM 383 CG ASN A 27 0.653 -6.871 -7.772 1.00 0.00 C ATOM 384 OD1 ASN A 27 1.299 -6.095 -8.465 1.00 0.00 O ATOM 385 ND2 ASN A 27 0.413 -8.105 -8.169 1.00 0.00 N ATOM 0 H ASN A 27 -0.372 -3.650 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.297 -4.511 -7.159 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.032 -6.241 -5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.370 -7.278 -5.932 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.768 -8.429 -9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.127 -8.735 -7.576 1.00 0.00 H new ATOM 392 N TYR A 28 -3.156 -4.820 -6.538 1.00 0.00 N ATOM 393 CA TYR A 28 -4.470 -4.778 -7.168 1.00 0.00 C ATOM 394 C TYR A 28 -4.336 -4.274 -8.614 1.00 0.00 C ATOM 395 O TYR A 28 -5.106 -4.672 -9.493 1.00 0.00 O ATOM 396 CB TYR A 28 -5.363 -3.843 -6.347 1.00 0.00 C ATOM 397 CG TYR A 28 -6.828 -3.830 -6.719 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.713 -4.757 -6.148 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.323 -2.833 -7.576 1.00 0.00 C ATOM 400 CE1 TYR A 28 -9.085 -4.703 -6.443 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.683 -2.780 -7.905 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.574 -3.721 -7.339 1.00 0.00 C ATOM 403 OH TYR A 28 -10.897 -3.684 -7.662 1.00 0.00 O ATOM 0 H TYR A 28 -3.087 -4.223 -5.714 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.914 -5.773 -7.198 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.278 -4.121 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.976 -2.828 -6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.337 -5.516 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.646 -2.098 -7.986 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.765 -5.408 -5.988 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.049 -2.026 -8.586 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.061 -2.948 -8.288 1.00 0.00 H new ATOM 413 N ILE A 29 -3.328 -3.432 -8.856 1.00 0.00 N ATOM 414 CA ILE A 29 -2.917 -2.897 -10.140 1.00 0.00 C ATOM 415 C ILE A 29 -1.450 -3.305 -10.278 1.00 0.00 C ATOM 416 O ILE A 29 -0.582 -2.756 -9.596 1.00 0.00 O ATOM 417 CB ILE A 29 -3.168 -1.375 -10.191 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.669 -1.064 -9.990 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.654 -0.756 -11.499 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.595 -1.345 -11.182 1.00 0.00 C ATOM 0 H ILE A 29 -2.740 -3.086 -8.098 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.486 -3.285 -10.985 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.606 -0.922 -9.374 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.026 -1.643 -9.138 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.766 -0.011 -9.724 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.850 0.316 -11.496 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.581 -0.929 -11.586 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.166 -1.215 -12.345 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.620 -1.086 -10.916 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.280 -0.746 -12.037 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.544 -2.402 -11.441 1.00 0.00 H new ATOM 432 N VAL A 30 -1.177 -4.332 -11.079 1.00 0.00 N ATOM 433 CA VAL A 30 0.162 -4.748 -11.466 1.00 0.00 C ATOM 434 C VAL A 30 0.833 -3.566 -12.142 1.00 0.00 C ATOM 435 O VAL A 30 0.352 -3.060 -13.153 1.00 0.00 O ATOM 436 CB VAL A 30 0.085 -6.011 -12.348 1.00 0.00 C ATOM 437 CG1 VAL A 30 1.258 -6.213 -13.320 1.00 0.00 C ATOM 438 CG2 VAL A 30 0.036 -7.218 -11.412 1.00 0.00 C ATOM 0 H VAL A 30 -1.908 -4.914 -11.488 1.00 0.00 H new ATOM 0 HA VAL A 30 0.768 -5.030 -10.605 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.800 -5.895 -12.973 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.104 -7.129 -13.891 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.315 -5.365 -14.003 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.188 -6.288 -12.757 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.019 -8.133 -12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.935 -7.237 -10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.843 -7.146 -10.771 1.00 0.00 H new ATOM 448 N ASN A 31 1.931 -3.122 -11.546 1.00 0.00 N ATOM 449 CA ASN A 31 2.667 -1.945 -11.967 1.00 0.00 C ATOM 450 C ASN A 31 4.151 -2.181 -11.663 1.00 0.00 C ATOM 451 O ASN A 31 4.884 -2.632 -12.545 1.00 0.00 O ATOM 452 CB ASN A 31 2.035 -0.659 -11.378 1.00 0.00 C ATOM 453 CG ASN A 31 2.279 -0.400 -9.901 1.00 0.00 C ATOM 454 OD1 ASN A 31 3.083 0.460 -9.565 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.672 -1.186 -9.023 1.00 0.00 N ATOM 0 H ASN A 31 2.343 -3.585 -10.736 1.00 0.00 H new ATOM 0 HA ASN A 31 2.602 -1.778 -13.042 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.411 0.195 -11.941 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.959 -0.701 -11.544 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.869 -1.086 -8.027 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.008 -1.891 -9.343 1.00 0.00 H new ATOM 462 N SER A 32 4.607 -1.957 -10.434 1.00 0.00 N ATOM 463 CA SER A 32 5.937 -2.141 -9.856 1.00 0.00 C ATOM 464 C SER A 32 5.824 -1.757 -8.366 1.00 0.00 C ATOM 465 O SER A 32 4.776 -1.294 -7.921 1.00 0.00 O ATOM 466 CB SER A 32 6.987 -1.252 -10.550 1.00 0.00 C ATOM 467 OG SER A 32 7.278 -1.711 -11.863 1.00 0.00 O ATOM 0 H SER A 32 3.968 -1.594 -9.727 1.00 0.00 H new ATOM 0 HA SER A 32 6.264 -3.173 -9.986 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.622 -0.226 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.902 -1.239 -9.958 1.00 0.00 H new ATOM 0 HG SER A 32 6.573 -2.324 -12.159 1.00 0.00 H new ATOM 473 N SER A 33 6.894 -1.931 -7.587 1.00 0.00 N ATOM 474 CA SER A 33 7.094 -1.456 -6.218 1.00 0.00 C ATOM 475 C SER A 33 6.208 -2.135 -5.167 1.00 0.00 C ATOM 476 O SER A 33 6.462 -1.986 -3.968 1.00 0.00 O ATOM 477 CB SER A 33 6.913 0.069 -6.166 1.00 0.00 C ATOM 478 OG SER A 33 7.750 0.646 -5.180 1.00 0.00 O ATOM 0 H SER A 33 7.706 -2.448 -7.924 1.00 0.00 H new ATOM 0 HA SER A 33 8.115 -1.732 -5.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.143 0.500 -7.141 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.872 0.308 -5.950 1.00 0.00 H new ATOM 0 HG SER A 33 7.618 1.617 -5.167 1.00 0.00 H new ATOM 484 N CYS A 34 5.186 -2.868 -5.599 1.00 0.00 N ATOM 485 CA CYS A 34 4.142 -3.401 -4.745 1.00 0.00 C ATOM 486 C CYS A 34 4.739 -4.369 -3.727 1.00 0.00 C ATOM 487 O CYS A 34 5.783 -4.982 -3.974 1.00 0.00 O ATOM 488 CB CYS A 34 3.073 -4.071 -5.605 1.00 0.00 C ATOM 489 SG CYS A 34 3.638 -5.525 -6.505 1.00 0.00 S ATOM 0 H CYS A 34 5.062 -3.112 -6.582 1.00 0.00 H new ATOM 0 HA CYS A 34 3.670 -2.591 -4.188 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.238 -4.357 -4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.692 -3.342 -6.320 1.00 0.00 H new ATOM 0 HG CYS A 34 2.842 -5.751 -7.508 1.00 0.00 H new ATOM 494 N GLY A 35 4.057 -4.526 -2.596 1.00 0.00 N ATOM 495 CA GLY A 35 4.636 -5.117 -1.409 1.00 0.00 C ATOM 496 C GLY A 35 4.687 -4.103 -0.274 1.00 0.00 C ATOM 497 O GLY A 35 4.182 -2.980 -0.382 1.00 0.00 O ATOM 0 H GLY A 35 3.083 -4.243 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.048 -5.983 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.642 -5.476 -1.629 1.00 0.00 H new ATOM 501 N GLU A 36 5.254 -4.516 0.860 1.00 0.00 N ATOM 502 CA GLU A 36 5.253 -3.745 2.091 1.00 0.00 C ATOM 503 C GLU A 36 5.995 -2.420 1.970 1.00 0.00 C ATOM 504 O GLU A 36 5.668 -1.484 2.692 1.00 0.00 O ATOM 505 CB GLU A 36 5.841 -4.586 3.214 1.00 0.00 C ATOM 506 CG GLU A 36 7.357 -4.799 3.222 1.00 0.00 C ATOM 507 CD GLU A 36 7.712 -5.858 4.267 1.00 0.00 C ATOM 508 OE1 GLU A 36 7.157 -6.982 4.208 1.00 0.00 O ATOM 509 OE2 GLU A 36 8.458 -5.564 5.222 1.00 0.00 O ATOM 0 H GLU A 36 5.734 -5.412 0.944 1.00 0.00 H new ATOM 0 HA GLU A 36 4.217 -3.491 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.562 -4.124 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.364 -5.566 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.697 -5.116 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.866 -3.862 3.449 1.00 0.00 H new ATOM 516 N ILE A 37 6.964 -2.334 1.063 1.00 0.00 N ATOM 517 CA ILE A 37 7.735 -1.123 0.822 1.00 0.00 C ATOM 518 C ILE A 37 6.821 -0.004 0.323 1.00 0.00 C ATOM 519 O ILE A 37 6.893 1.099 0.849 1.00 0.00 O ATOM 520 CB ILE A 37 8.923 -1.415 -0.101 1.00 0.00 C ATOM 521 CG1 ILE A 37 9.901 -2.278 0.728 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.562 -0.097 -0.580 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.134 -2.728 -0.039 1.00 0.00 C ATOM 0 H ILE A 37 7.238 -3.116 0.468 1.00 0.00 H new ATOM 0 HA ILE A 37 8.167 -0.767 1.757 1.00 0.00 H new ATOM 0 HB ILE A 37 8.626 -1.947 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.218 -1.710 1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.372 -3.158 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.405 -0.318 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.822 0.489 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.912 0.472 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.769 -3.328 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.830 -3.325 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.689 -1.854 -0.381 1.00 0.00 H new ATOM 535 N CYS A 38 5.955 -0.258 -0.659 1.00 0.00 N ATOM 536 CA CYS A 38 5.056 0.776 -1.170 1.00 0.00 C ATOM 537 C CYS A 38 4.028 1.160 -0.100 1.00 0.00 C ATOM 538 O CYS A 38 3.716 2.337 0.067 1.00 0.00 O ATOM 539 CB CYS A 38 4.389 0.245 -2.443 1.00 0.00 C ATOM 540 SG CYS A 38 3.435 1.441 -3.415 1.00 0.00 S ATOM 0 H CYS A 38 5.858 -1.166 -1.114 1.00 0.00 H new ATOM 0 HA CYS A 38 5.610 1.682 -1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.164 -0.175 -3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.726 -0.574 -2.165 1.00 0.00 H new ATOM 0 HG CYS A 38 2.304 1.679 -2.821 1.00 0.00 H new ATOM 545 N CYS A 39 3.553 0.184 0.689 1.00 0.00 N ATOM 546 CA CYS A 39 2.782 0.458 1.892 1.00 0.00 C ATOM 547 C CYS A 39 3.545 1.434 2.784 1.00 0.00 C ATOM 548 O CYS A 39 2.986 2.461 3.144 1.00 0.00 O ATOM 549 CB CYS A 39 2.482 -0.847 2.632 1.00 0.00 C ATOM 550 SG CYS A 39 1.805 -2.218 1.668 1.00 0.00 S ATOM 0 H CYS A 39 3.696 -0.809 0.505 1.00 0.00 H new ATOM 0 HA CYS A 39 1.832 0.916 1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.406 -1.188 3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.781 -0.624 3.437 1.00 0.00 H new ATOM 0 HG CYS A 39 0.547 -1.998 1.424 1.00 0.00 H new ATOM 555 N ASN A 40 4.803 1.134 3.107 1.00 0.00 N ATOM 556 CA ASN A 40 5.664 1.969 3.935 1.00 0.00 C ATOM 557 C ASN A 40 5.865 3.354 3.332 1.00 0.00 C ATOM 558 O ASN A 40 6.038 4.317 4.077 1.00 0.00 O ATOM 559 CB ASN A 40 7.042 1.304 4.113 1.00 0.00 C ATOM 560 CG ASN A 40 7.220 0.636 5.458 1.00 0.00 C ATOM 561 OD1 ASN A 40 6.276 -0.199 5.852 1.00 0.00 O flip ATOM 562 ND2 ASN A 40 8.218 0.833 6.146 1.00 0.00 N flip ATOM 0 H ASN A 40 5.261 0.280 2.790 1.00 0.00 H new ATOM 0 HA ASN A 40 5.168 2.078 4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.183 0.563 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.819 2.057 3.984 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.938 1.481 5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.327 0.348 7.037 1.00 0.00 H new ATOM 569 N ASP A 41 5.904 3.455 2.002 1.00 0.00 N ATOM 570 CA ASP A 41 6.145 4.696 1.284 1.00 0.00 C ATOM 571 C ASP A 41 4.973 5.667 1.400 1.00 0.00 C ATOM 572 O ASP A 41 5.223 6.860 1.587 1.00 0.00 O ATOM 573 CB ASP A 41 6.677 4.470 -0.143 1.00 0.00 C ATOM 574 CG ASP A 41 5.851 5.022 -1.304 1.00 0.00 C ATOM 575 OD1 ASP A 41 5.708 6.254 -1.376 1.00 0.00 O ATOM 576 OD2 ASP A 41 5.500 4.240 -2.221 1.00 0.00 O ATOM 0 H ASP A 41 5.765 2.655 1.385 1.00 0.00 H new ATOM 0 HA ASP A 41 6.968 5.206 1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.674 4.907 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.790 3.396 -0.293 1.00 0.00 H new ATOM 581 N CYS A 42 3.731 5.172 1.403 1.00 0.00 N ATOM 582 CA CYS A 42 2.530 6.007 1.436 1.00 0.00 C ATOM 583 C CYS A 42 1.865 6.063 2.822 1.00 0.00 C ATOM 584 O CYS A 42 1.454 7.135 3.273 1.00 0.00 O ATOM 585 CB CYS A 42 1.525 5.484 0.401 1.00 0.00 C ATOM 586 SG CYS A 42 2.156 5.238 -1.275 1.00 0.00 S ATOM 0 H CYS A 42 3.531 4.172 1.382 1.00 0.00 H new ATOM 0 HA CYS A 42 2.840 7.025 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.127 4.535 0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.689 6.182 0.353 1.00 0.00 H new ATOM 0 HG CYS A 42 1.201 4.794 -2.037 1.00 0.00 H new ATOM 591 N PHE A 43 1.681 4.911 3.465 1.00 0.00 N ATOM 592 CA PHE A 43 0.899 4.746 4.684 1.00 0.00 C ATOM 593 C PHE A 43 1.799 4.864 5.913 1.00 0.00 C ATOM 594 O PHE A 43 2.996 4.575 5.848 1.00 0.00 O ATOM 595 CB PHE A 43 0.196 3.373 4.653 1.00 0.00 C ATOM 596 CG PHE A 43 -0.939 3.278 3.654 1.00 0.00 C ATOM 597 CD1 PHE A 43 -2.228 3.719 4.007 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.702 2.783 2.357 1.00 0.00 C ATOM 599 CE1 PHE A 43 -3.258 3.703 3.054 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.745 2.736 1.416 1.00 0.00 C ATOM 601 CZ PHE A 43 -3.023 3.207 1.761 1.00 0.00 C ATOM 0 H PHE A 43 2.089 4.036 3.137 1.00 0.00 H new ATOM 0 HA PHE A 43 0.146 5.532 4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.934 2.605 4.421 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.191 3.153 5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.424 4.069 5.010 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.285 2.438 2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.238 4.074 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.564 2.338 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.822 3.188 1.035 1.00 0.00 H new ATOM 611 N ASP A 44 1.216 5.220 7.064 1.00 0.00 N ATOM 612 CA ASP A 44 1.937 5.148 8.336 1.00 0.00 C ATOM 613 C ASP A 44 2.237 3.688 8.666 1.00 0.00 C ATOM 614 O ASP A 44 1.769 2.753 8.002 1.00 0.00 O ATOM 615 CB ASP A 44 1.217 5.869 9.501 1.00 0.00 C ATOM 616 CG ASP A 44 0.542 4.980 10.544 1.00 0.00 C ATOM 617 OD1 ASP A 44 -0.584 4.488 10.285 1.00 0.00 O ATOM 618 OD2 ASP A 44 1.136 4.728 11.606 1.00 0.00 O ATOM 0 H ASP A 44 0.256 5.557 7.139 1.00 0.00 H new ATOM 0 HA ASP A 44 2.874 5.691 8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.944 6.501 10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.461 6.530 9.077 1.00 0.00 H new ATOM 623 N GLU A 45 3.028 3.487 9.710 1.00 0.00 N ATOM 624 CA GLU A 45 3.432 2.164 10.149 1.00 0.00 C ATOM 625 C GLU A 45 2.209 1.321 10.534 1.00 0.00 C ATOM 626 O GLU A 45 2.177 0.116 10.269 1.00 0.00 O ATOM 627 CB GLU A 45 4.403 2.284 11.322 1.00 0.00 C ATOM 628 CG GLU A 45 5.190 0.984 11.505 1.00 0.00 C ATOM 629 CD GLU A 45 5.845 0.930 12.875 1.00 0.00 C ATOM 630 OE1 GLU A 45 5.188 0.425 13.822 1.00 0.00 O ATOM 631 OE2 GLU A 45 7.017 1.345 13.004 1.00 0.00 O ATOM 0 H GLU A 45 3.409 4.244 10.278 1.00 0.00 H new ATOM 0 HA GLU A 45 3.937 1.658 9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.092 3.111 11.148 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.853 2.514 12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.522 0.131 11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.953 0.905 10.730 1.00 0.00 H new ATOM 638 N THR A 46 1.189 1.926 11.146 1.00 0.00 N ATOM 639 CA THR A 46 -0.030 1.213 11.489 1.00 0.00 C ATOM 640 C THR A 46 -0.803 0.909 10.212 1.00 0.00 C ATOM 641 O THR A 46 -1.099 -0.262 9.975 1.00 0.00 O ATOM 642 CB THR A 46 -0.834 2.015 12.517 1.00 0.00 C ATOM 643 OG1 THR A 46 -0.105 2.014 13.731 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.228 1.423 12.759 1.00 0.00 C ATOM 0 H THR A 46 1.189 2.911 11.412 1.00 0.00 H new ATOM 0 HA THR A 46 0.197 0.258 11.962 1.00 0.00 H new ATOM 0 HB THR A 46 -0.979 3.026 12.135 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.597 2.523 14.408 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.757 2.028 13.495 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.788 1.417 11.824 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.131 0.403 13.130 1.00 0.00 H new ATOM 652 N GLY A 47 -1.111 1.923 9.395 1.00 0.00 N ATOM 653 CA GLY A 47 -1.787 1.832 8.108 1.00 0.00 C ATOM 654 C GLY A 47 -1.232 0.691 7.277 1.00 0.00 C ATOM 655 O GLY A 47 -1.994 -0.152 6.786 1.00 0.00 O ATOM 0 H GLY A 47 -0.878 2.886 9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.856 1.685 8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.671 2.770 7.566 1.00 0.00 H new ATOM 659 N THR A 48 0.093 0.627 7.202 1.00 0.00 N ATOM 660 CA THR A 48 0.831 -0.398 6.512 1.00 0.00 C ATOM 661 C THR A 48 0.395 -1.798 6.912 1.00 0.00 C ATOM 662 O THR A 48 0.273 -2.609 6.006 1.00 0.00 O ATOM 663 CB THR A 48 2.340 -0.149 6.720 1.00 0.00 C ATOM 664 OG1 THR A 48 2.755 0.928 5.917 1.00 0.00 O ATOM 665 CG2 THR A 48 3.232 -1.346 6.396 1.00 0.00 C ATOM 0 H THR A 48 0.697 1.321 7.642 1.00 0.00 H new ATOM 0 HA THR A 48 0.615 -0.340 5.445 1.00 0.00 H new ATOM 0 HB THR A 48 2.454 0.058 7.784 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.534 1.772 6.362 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.275 -1.081 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.959 -2.186 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.099 -1.626 5.351 1.00 0.00 H new ATOM 673 N GLY A 49 0.135 -2.139 8.175 1.00 0.00 N ATOM 674 CA GLY A 49 -0.063 -3.543 8.539 1.00 0.00 C ATOM 675 C GLY A 49 -1.224 -4.185 7.777 1.00 0.00 C ATOM 676 O GLY A 49 -1.131 -5.343 7.360 1.00 0.00 O ATOM 0 H GLY A 49 0.058 -1.479 8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.852 -4.100 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.251 -3.615 9.610 1.00 0.00 H new ATOM 680 N ALA A 50 -2.301 -3.437 7.545 1.00 0.00 N ATOM 681 CA ALA A 50 -3.437 -3.857 6.738 1.00 0.00 C ATOM 682 C ALA A 50 -3.055 -3.963 5.264 1.00 0.00 C ATOM 683 O ALA A 50 -3.404 -4.925 4.584 1.00 0.00 O ATOM 684 CB ALA A 50 -4.514 -2.790 6.869 1.00 0.00 C ATOM 0 H ALA A 50 -2.407 -2.497 7.925 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.779 -4.833 7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.382 -3.074 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.806 -2.694 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.126 -1.836 6.512 1.00 0.00 H new ATOM 690 N CYS A 51 -2.360 -2.945 4.760 1.00 0.00 N ATOM 691 CA CYS A 51 -1.973 -2.838 3.374 1.00 0.00 C ATOM 692 C CYS A 51 -1.015 -3.985 3.043 1.00 0.00 C ATOM 693 O CYS A 51 -1.141 -4.639 2.012 1.00 0.00 O ATOM 694 CB CYS A 51 -1.403 -1.433 3.155 1.00 0.00 C ATOM 695 SG CYS A 51 -1.299 -0.881 1.435 1.00 0.00 S ATOM 0 H CYS A 51 -2.047 -2.157 5.327 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.810 -2.945 2.684 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.018 -0.722 3.708 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.404 -1.396 3.589 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.434 0.411 1.385 1.00 0.00 H new ATOM 700 N ARG A 52 -0.131 -4.338 3.982 1.00 0.00 N ATOM 701 CA ARG A 52 0.720 -5.500 3.894 1.00 0.00 C ATOM 702 C ARG A 52 -0.109 -6.749 3.790 1.00 0.00 C ATOM 703 O ARG A 52 0.243 -7.553 2.955 1.00 0.00 O ATOM 704 CB ARG A 52 1.694 -5.660 5.060 1.00 0.00 C ATOM 705 CG ARG A 52 2.786 -4.602 5.019 1.00 0.00 C ATOM 706 CD ARG A 52 3.804 -4.716 6.160 1.00 0.00 C ATOM 707 NE ARG A 52 4.744 -5.842 6.015 1.00 0.00 N ATOM 708 CZ ARG A 52 5.566 -6.263 6.992 1.00 0.00 C ATOM 709 NH1 ARG A 52 5.550 -5.684 8.189 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.404 -7.263 6.785 1.00 0.00 N ATOM 0 H ARG A 52 0.006 -3.803 4.839 1.00 0.00 H new ATOM 0 HA ARG A 52 1.319 -5.345 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.151 -5.588 6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.145 -6.652 5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.312 -4.674 4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.324 -3.615 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.372 -3.788 6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.267 -4.823 7.103 1.00 0.00 H new ATOM 0 HE ARG A 52 4.773 -6.331 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.909 -4.912 8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.178 -6.012 8.923 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.432 -7.725 5.876 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.023 -7.573 7.534 1.00 0.00 H new ATOM 724 N ALA A 53 -1.180 -6.937 4.562 1.00 0.00 N ATOM 725 CA ALA A 53 -2.016 -8.127 4.389 1.00 0.00 C ATOM 726 C ALA A 53 -2.510 -8.238 2.941 1.00 0.00 C ATOM 727 O ALA A 53 -2.360 -9.286 2.311 1.00 0.00 O ATOM 728 CB ALA A 53 -3.199 -8.125 5.354 1.00 0.00 C ATOM 0 H ALA A 53 -1.485 -6.298 5.296 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.399 -8.996 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.798 -9.022 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.832 -8.108 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.814 -7.243 5.174 1.00 0.00 H new ATOM 734 N GLN A 54 -3.033 -7.143 2.382 1.00 0.00 N ATOM 735 CA GLN A 54 -3.455 -7.084 0.984 1.00 0.00 C ATOM 736 C GLN A 54 -2.262 -7.158 0.002 1.00 0.00 C ATOM 737 O GLN A 54 -2.475 -7.278 -1.200 1.00 0.00 O ATOM 738 CB GLN A 54 -4.277 -5.810 0.755 1.00 0.00 C ATOM 739 CG GLN A 54 -5.184 -5.820 -0.496 1.00 0.00 C ATOM 740 CD GLN A 54 -6.496 -6.595 -0.331 1.00 0.00 C ATOM 741 OE1 GLN A 54 -6.898 -6.951 0.773 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.224 -6.858 -1.404 1.00 0.00 N ATOM 0 H GLN A 54 -3.175 -6.270 2.890 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.072 -7.959 0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.900 -5.638 1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.592 -4.965 0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.418 -4.790 -0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.627 -6.249 -1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.898 -6.566 -2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.111 -7.353 -1.310 1.00 0.00 H new ATOM 751 N ALA A 55 -1.013 -7.118 0.459 1.00 0.00 N ATOM 752 CA ALA A 55 0.167 -7.388 -0.350 1.00 0.00 C ATOM 753 C ALA A 55 0.826 -8.734 0.014 1.00 0.00 C ATOM 754 O ALA A 55 1.726 -9.184 -0.685 1.00 0.00 O ATOM 755 CB ALA A 55 1.160 -6.234 -0.198 1.00 0.00 C ATOM 0 H ALA A 55 -0.790 -6.891 1.428 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.144 -7.466 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.045 -6.433 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.694 -5.307 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.450 -6.139 0.848 1.00 0.00 H new ATOM 761 N PHE A 56 0.387 -9.424 1.064 1.00 0.00 N ATOM 762 CA PHE A 56 1.063 -10.580 1.633 1.00 0.00 C ATOM 763 C PHE A 56 0.297 -11.830 1.233 1.00 0.00 C ATOM 764 O PHE A 56 0.793 -12.651 0.464 1.00 0.00 O ATOM 765 CB PHE A 56 1.143 -10.449 3.164 1.00 0.00 C ATOM 766 CG PHE A 56 1.800 -11.645 3.830 1.00 0.00 C ATOM 767 CD1 PHE A 56 3.066 -12.099 3.406 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.111 -12.344 4.840 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.639 -13.233 4.002 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.680 -13.487 5.428 1.00 0.00 C ATOM 771 CZ PHE A 56 2.944 -13.930 5.004 1.00 0.00 C ATOM 0 H PHE A 56 -0.475 -9.185 1.555 1.00 0.00 H new ATOM 0 HA PHE A 56 2.083 -10.643 1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.701 -9.548 3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.137 -10.324 3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.594 -11.575 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.140 -12.000 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.616 -13.570 3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.148 -14.022 6.201 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.383 -14.810 5.450 1.00 0.00 H new ATOM 781 N GLY A 57 -0.927 -11.947 1.741 1.00 0.00 N ATOM 782 CA GLY A 57 -1.841 -13.042 1.475 1.00 0.00 C ATOM 783 C GLY A 57 -3.026 -12.538 0.669 1.00 0.00 C ATOM 784 O GLY A 57 -4.168 -12.660 1.116 1.00 0.00 O ATOM 0 H GLY A 57 -1.320 -11.251 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.327 -13.832 0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.186 -13.476 2.413 1.00 0.00 H new ATOM 788 N ASN A 58 -2.774 -11.922 -0.483 1.00 0.00 N ATOM 789 CA ASN A 58 -3.798 -11.452 -1.404 1.00 0.00 C ATOM 790 C ASN A 58 -3.321 -11.759 -2.824 1.00 0.00 C ATOM 791 O ASN A 58 -3.511 -12.891 -3.268 1.00 0.00 O ATOM 792 CB ASN A 58 -4.071 -9.972 -1.136 1.00 0.00 C ATOM 793 CG ASN A 58 -4.934 -9.342 -2.223 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.037 -9.802 -2.504 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.433 -8.323 -2.898 1.00 0.00 N ATOM 0 H ASN A 58 -1.826 -11.732 -0.808 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.753 -11.959 -1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.568 -9.864 -0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.125 -9.436 -1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.964 -7.908 -3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.515 -7.951 -2.653 1.00 0.00 H new ATOM 802 N SER A 59 -2.646 -10.833 -3.519 1.00 0.00 N ATOM 803 CA SER A 59 -2.366 -10.970 -4.949 1.00 0.00 C ATOM 804 C SER A 59 -0.924 -10.649 -5.363 1.00 0.00 C ATOM 805 O SER A 59 -0.503 -11.037 -6.455 1.00 0.00 O ATOM 806 CB SER A 59 -3.357 -10.070 -5.689 1.00 0.00 C ATOM 807 OG SER A 59 -3.641 -10.589 -6.971 1.00 0.00 O ATOM 0 H SER A 59 -2.282 -9.974 -3.106 1.00 0.00 H new ATOM 0 HA SER A 59 -2.485 -12.021 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.279 -9.985 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.945 -9.065 -5.781 1.00 0.00 H new ATOM 0 HG SER A 59 -4.278 -10.001 -7.428 1.00 0.00 H new ATOM 813 N CYS A 60 -0.154 -9.942 -4.535 1.00 0.00 N ATOM 814 CA CYS A 60 1.268 -9.731 -4.776 1.00 0.00 C ATOM 815 C CYS A 60 1.997 -11.037 -4.438 1.00 0.00 C ATOM 816 O CYS A 60 1.599 -11.729 -3.495 1.00 0.00 O ATOM 817 CB CYS A 60 1.723 -8.561 -3.904 1.00 0.00 C ATOM 818 SG CYS A 60 3.370 -7.920 -4.209 1.00 0.00 S ATOM 0 H CYS A 60 -0.500 -9.502 -3.682 1.00 0.00 H new ATOM 0 HA CYS A 60 1.488 -9.480 -5.814 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.012 -7.745 -4.032 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.667 -8.872 -2.861 1.00 0.00 H new ATOM 0 HG CYS A 60 3.331 -7.077 -5.198 1.00 0.00 H new ATOM 823 N LEU A 61 3.039 -11.398 -5.192 1.00 0.00 N ATOM 824 CA LEU A 61 3.742 -12.664 -4.987 1.00 0.00 C ATOM 825 C LEU A 61 4.557 -12.566 -3.698 1.00 0.00 C ATOM 826 O LEU A 61 4.223 -13.190 -2.690 1.00 0.00 O ATOM 827 CB LEU A 61 4.608 -12.993 -6.223 1.00 0.00 C ATOM 828 CG LEU A 61 5.209 -14.416 -6.277 1.00 0.00 C ATOM 829 CD1 LEU A 61 6.111 -14.820 -5.107 1.00 0.00 C ATOM 830 CD2 LEU A 61 4.118 -15.478 -6.413 1.00 0.00 C ATOM 0 H LEU A 61 3.414 -10.829 -5.951 1.00 0.00 H new ATOM 0 HA LEU A 61 3.037 -13.488 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.001 -12.844 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.426 -12.274 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 61 5.847 -14.369 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.471 -15.838 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.961 -14.140 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.545 -14.771 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.575 -16.467 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.445 -15.420 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.555 -15.306 -7.330 1.00 0.00 H new ATOM 842 N ASN A 62 5.624 -11.768 -3.726 1.00 0.00 N ATOM 843 CA ASN A 62 6.401 -11.419 -2.551 1.00 0.00 C ATOM 844 C ASN A 62 6.022 -9.997 -2.174 1.00 0.00 C ATOM 845 O ASN A 62 6.124 -9.095 -3.013 1.00 0.00 O ATOM 846 CB ASN A 62 7.911 -11.616 -2.762 1.00 0.00 C ATOM 847 CG ASN A 62 8.632 -10.525 -3.541 1.00 0.00 C ATOM 848 OD1 ASN A 62 9.389 -9.740 -2.972 1.00 0.00 O ATOM 849 ND2 ASN A 62 8.472 -10.456 -4.853 1.00 0.00 N ATOM 0 H ASN A 62 5.974 -11.342 -4.584 1.00 0.00 H new ATOM 0 HA ASN A 62 6.168 -12.090 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.384 -11.707 -1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.063 -12.563 -3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.976 -9.752 -5.392 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.844 -11.107 -5.325 1.00 0.00 H new ATOM 856 N TRP A 63 5.533 -9.815 -0.947 1.00 0.00 N ATOM 857 CA TRP A 63 5.446 -8.498 -0.335 1.00 0.00 C ATOM 858 C TRP A 63 6.846 -7.895 -0.222 1.00 0.00 C ATOM 859 O TRP A 63 7.862 -8.618 -0.341 1.00 0.00 O ATOM 860 CB TRP A 63 4.733 -8.564 1.030 1.00 0.00 C ATOM 861 CG TRP A 63 5.321 -9.397 2.143 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.236 -10.390 2.049 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.947 -9.373 3.553 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.473 -10.950 3.290 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.694 -10.361 4.259 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.983 -8.657 4.288 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.509 -10.607 5.630 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.764 -8.911 5.657 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.535 -9.877 6.332 1.00 0.00 C ATOM 0 H TRP A 63 5.190 -10.573 -0.357 1.00 0.00 H new ATOM 0 HA TRP A 63 4.843 -7.847 -0.968 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.644 -7.543 1.400 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.721 -8.928 0.851 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.714 -10.701 1.132 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.139 -11.702 3.465 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.398 -7.896 3.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 6.108 -11.348 6.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.002 -8.363 6.191 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.378 -10.056 7.385 1.00 0.00 H new