USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 477 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 33 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 GLN : amide:sc= -0.732 K(o=-0.73,f=-1.6) USER MOD Set 3.1: A 22 SER OG : rot 171:sc= -0.0814 USER MOD Set 3.2: A 44 ASN :FLIP amide:sc= 1.04 F(o=-0.03,f=0.96) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00508) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.15 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.031 K(o=-0.031,f=-1.4!) USER MOD Single : A 25 ASN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc=-0.00863 (180deg=-0.165) USER MOD Single : A 35 ASN : amide:sc=-0.000341 X(o=-0.00034,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0566 F(o=-0.91,f=-0.057) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 56 ASN : amide:sc= -0.546 K(o=-0.55,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.438 -1.847 -30.263 1.00 0.00 N ATOM 2 CA GLY A 1 1.165 -2.094 -28.860 1.00 0.00 C ATOM 3 C GLY A 1 2.045 -1.266 -27.944 1.00 0.00 C ATOM 4 O GLY A 1 2.587 -1.778 -26.965 1.00 0.00 O ATOM 0 H1 GLY A 1 0.835 -2.461 -30.847 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.237 -0.851 -30.486 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.438 -2.052 -30.463 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.118 -1.872 -28.652 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.315 -3.152 -28.644 1.00 0.00 H new ATOM 8 N SER A 2 2.188 0.016 -28.263 1.00 0.00 N ATOM 9 CA SER A 2 3.013 0.915 -27.464 1.00 0.00 C ATOM 10 C SER A 2 2.260 1.386 -26.224 1.00 0.00 C ATOM 11 O SER A 2 2.736 1.231 -25.099 1.00 0.00 O ATOM 12 CB SER A 2 3.447 2.121 -28.300 1.00 0.00 C ATOM 13 OG SER A 2 4.631 1.839 -29.026 1.00 0.00 O ATOM 0 H SER A 2 1.744 0.456 -29.069 1.00 0.00 H new ATOM 0 HA SER A 2 3.899 0.366 -27.143 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.650 2.394 -28.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.612 2.979 -27.648 1.00 0.00 H new ATOM 0 HG SER A 2 4.886 2.625 -29.553 1.00 0.00 H new ATOM 19 N SER A 3 1.081 1.961 -26.438 1.00 0.00 N ATOM 20 CA SER A 3 0.262 2.459 -25.339 1.00 0.00 C ATOM 21 C SER A 3 1.012 3.522 -24.541 1.00 0.00 C ATOM 22 O SER A 3 0.914 3.578 -23.316 1.00 0.00 O ATOM 23 CB SER A 3 -0.147 1.308 -24.418 1.00 0.00 C ATOM 24 OG SER A 3 -1.382 1.580 -23.779 1.00 0.00 O ATOM 0 H SER A 3 0.671 2.094 -27.363 1.00 0.00 H new ATOM 0 HA SER A 3 -0.634 2.912 -25.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.228 0.387 -24.996 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.627 1.146 -23.667 1.00 0.00 H new ATOM 0 HG SER A 3 -1.622 0.829 -23.197 1.00 0.00 H new ATOM 30 N GLY A 4 1.762 4.363 -25.247 1.00 0.00 N ATOM 31 CA GLY A 4 2.518 5.413 -24.589 1.00 0.00 C ATOM 32 C GLY A 4 4.014 5.186 -24.668 1.00 0.00 C ATOM 33 O GLY A 4 4.511 4.609 -25.635 1.00 0.00 O ATOM 0 H GLY A 4 1.860 4.336 -26.262 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.275 6.372 -25.045 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.217 5.472 -23.543 1.00 0.00 H new ATOM 37 N SER A 5 4.735 5.644 -23.650 1.00 0.00 N ATOM 38 CA SER A 5 6.185 5.493 -23.611 1.00 0.00 C ATOM 39 C SER A 5 6.679 5.357 -22.173 1.00 0.00 C ATOM 40 O SER A 5 6.419 6.217 -21.332 1.00 0.00 O ATOM 41 CB SER A 5 6.862 6.688 -24.283 1.00 0.00 C ATOM 42 OG SER A 5 6.149 7.094 -25.439 1.00 0.00 O ATOM 0 H SER A 5 4.339 6.123 -22.841 1.00 0.00 H new ATOM 0 HA SER A 5 6.445 4.584 -24.154 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.923 7.518 -23.579 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.884 6.425 -24.556 1.00 0.00 H new ATOM 0 HG SER A 5 6.601 7.860 -25.850 1.00 0.00 H new ATOM 48 N SER A 6 7.393 4.269 -21.900 1.00 0.00 N ATOM 49 CA SER A 6 7.920 4.017 -20.564 1.00 0.00 C ATOM 50 C SER A 6 9.309 4.628 -20.404 1.00 0.00 C ATOM 51 O SER A 6 9.808 5.308 -21.300 1.00 0.00 O ATOM 52 CB SER A 6 7.978 2.513 -20.291 1.00 0.00 C ATOM 53 OG SER A 6 6.818 1.861 -20.780 1.00 0.00 O ATOM 0 H SER A 6 7.619 3.549 -22.586 1.00 0.00 H new ATOM 0 HA SER A 6 7.251 4.485 -19.842 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.864 2.088 -20.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.073 2.338 -19.219 1.00 0.00 H new ATOM 0 HG SER A 6 6.880 0.901 -20.595 1.00 0.00 H new ATOM 59 N GLY A 7 9.929 4.381 -19.254 1.00 0.00 N ATOM 60 CA GLY A 7 11.254 4.913 -18.996 1.00 0.00 C ATOM 61 C GLY A 7 11.906 4.282 -17.782 1.00 0.00 C ATOM 62 O GLY A 7 11.464 3.237 -17.305 1.00 0.00 O ATOM 0 H GLY A 7 9.537 3.822 -18.496 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.885 4.749 -19.870 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.187 5.991 -18.849 1.00 0.00 H new ATOM 66 N GLU A 8 12.962 4.916 -17.282 1.00 0.00 N ATOM 67 CA GLU A 8 13.678 4.408 -16.118 1.00 0.00 C ATOM 68 C GLU A 8 13.730 5.457 -15.010 1.00 0.00 C ATOM 69 O GLU A 8 14.033 6.624 -15.260 1.00 0.00 O ATOM 70 CB GLU A 8 15.097 3.989 -16.506 1.00 0.00 C ATOM 71 CG GLU A 8 15.903 3.425 -15.348 1.00 0.00 C ATOM 72 CD GLU A 8 15.453 2.034 -14.946 1.00 0.00 C ATOM 73 OE1 GLU A 8 14.483 1.928 -14.167 1.00 0.00 O ATOM 74 OE2 GLU A 8 16.069 1.053 -15.411 1.00 0.00 O ATOM 0 H GLU A 8 13.340 5.782 -17.665 1.00 0.00 H new ATOM 0 HA GLU A 8 13.140 3.537 -15.745 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.043 3.242 -17.298 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.622 4.851 -16.917 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.957 3.396 -15.624 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.816 4.093 -14.491 1.00 0.00 H new ATOM 81 N ILE A 9 13.431 5.032 -13.787 1.00 0.00 N ATOM 82 CA ILE A 9 13.444 5.934 -12.642 1.00 0.00 C ATOM 83 C ILE A 9 14.800 6.615 -12.494 1.00 0.00 C ATOM 84 O ILE A 9 15.830 6.062 -12.881 1.00 0.00 O ATOM 85 CB ILE A 9 13.111 5.190 -11.336 1.00 0.00 C ATOM 86 CG1 ILE A 9 14.191 4.151 -11.025 1.00 0.00 C ATOM 87 CG2 ILE A 9 11.745 4.527 -11.437 1.00 0.00 C ATOM 88 CD1 ILE A 9 14.849 4.349 -9.677 1.00 0.00 C ATOM 0 H ILE A 9 13.177 4.070 -13.564 1.00 0.00 H new ATOM 0 HA ILE A 9 12.679 6.689 -12.826 1.00 0.00 H new ATOM 0 HB ILE A 9 13.083 5.913 -10.521 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.748 3.156 -11.061 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.954 4.188 -11.802 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.524 4.005 -10.506 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.984 5.287 -11.616 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.747 3.814 -12.261 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.603 3.577 -9.524 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.322 5.331 -9.644 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.096 4.282 -8.891 1.00 0.00 H new ATOM 100 N SER A 10 14.794 7.818 -11.929 1.00 0.00 N ATOM 101 CA SER A 10 16.023 8.577 -11.732 1.00 0.00 C ATOM 102 C SER A 10 16.110 9.109 -10.304 1.00 0.00 C ATOM 103 O SER A 10 15.473 10.104 -9.962 1.00 0.00 O ATOM 104 CB SER A 10 16.098 9.737 -12.726 1.00 0.00 C ATOM 105 OG SER A 10 16.466 9.280 -14.016 1.00 0.00 O ATOM 0 H SER A 10 13.951 8.288 -11.599 1.00 0.00 H new ATOM 0 HA SER A 10 16.865 7.907 -11.904 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.132 10.240 -12.777 1.00 0.00 H new ATOM 0 HB3 SER A 10 16.822 10.473 -12.377 1.00 0.00 H new ATOM 0 HG SER A 10 16.505 10.040 -14.633 1.00 0.00 H new ATOM 111 N GLY A 11 16.903 8.437 -9.476 1.00 0.00 N ATOM 112 CA GLY A 11 17.059 8.857 -8.095 1.00 0.00 C ATOM 113 C GLY A 11 16.844 7.720 -7.116 1.00 0.00 C ATOM 114 O GLY A 11 16.930 6.548 -7.485 1.00 0.00 O ATOM 0 H GLY A 11 17.440 7.610 -9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.058 9.269 -7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.351 9.657 -7.879 1.00 0.00 H new ATOM 118 N PHE A 12 16.565 8.064 -5.863 1.00 0.00 N ATOM 119 CA PHE A 12 16.340 7.063 -4.827 1.00 0.00 C ATOM 120 C PHE A 12 15.180 7.468 -3.923 1.00 0.00 C ATOM 121 O PHE A 12 14.980 8.650 -3.642 1.00 0.00 O ATOM 122 CB PHE A 12 17.607 6.868 -3.993 1.00 0.00 C ATOM 123 CG PHE A 12 18.769 6.336 -4.783 1.00 0.00 C ATOM 124 CD1 PHE A 12 18.967 4.971 -4.915 1.00 0.00 C ATOM 125 CD2 PHE A 12 19.662 7.201 -5.394 1.00 0.00 C ATOM 126 CE1 PHE A 12 20.035 4.478 -5.642 1.00 0.00 C ATOM 127 CE2 PHE A 12 20.731 6.714 -6.122 1.00 0.00 C ATOM 128 CZ PHE A 12 20.919 5.351 -6.245 1.00 0.00 C ATOM 0 H PHE A 12 16.489 9.029 -5.541 1.00 0.00 H new ATOM 0 HA PHE A 12 16.086 6.122 -5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 12 17.888 7.821 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 12 17.391 6.183 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 12 18.279 4.284 -4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 12 19.521 8.268 -5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 12 20.178 3.412 -5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 12 21.419 7.399 -6.595 1.00 0.00 H new ATOM 0 HZ PHE A 12 21.755 4.969 -6.811 1.00 0.00 H new ATOM 138 N GLY A 13 14.416 6.478 -3.469 1.00 0.00 N ATOM 139 CA GLY A 13 13.285 6.751 -2.602 1.00 0.00 C ATOM 140 C GLY A 13 12.057 5.949 -2.982 1.00 0.00 C ATOM 141 O GLY A 13 11.499 6.131 -4.064 1.00 0.00 O ATOM 0 H GLY A 13 14.561 5.492 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.558 6.525 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.048 7.814 -2.643 1.00 0.00 H new ATOM 145 N GLN A 14 11.635 5.058 -2.091 1.00 0.00 N ATOM 146 CA GLN A 14 10.466 4.223 -2.340 1.00 0.00 C ATOM 147 C GLN A 14 9.229 5.079 -2.592 1.00 0.00 C ATOM 148 O GLN A 14 9.004 6.078 -1.907 1.00 0.00 O ATOM 149 CB GLN A 14 10.220 3.286 -1.157 1.00 0.00 C ATOM 150 CG GLN A 14 11.059 2.019 -1.199 1.00 0.00 C ATOM 151 CD GLN A 14 10.583 0.971 -0.212 1.00 0.00 C ATOM 152 OE1 GLN A 14 9.935 1.289 0.785 1.00 0.00 O ATOM 153 NE2 GLN A 14 10.903 -0.289 -0.486 1.00 0.00 N ATOM 0 H GLN A 14 12.085 4.896 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 14 10.661 3.627 -3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.431 3.821 -0.231 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.165 3.013 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.032 1.603 -2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.098 2.269 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.442 -0.508 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.610 -1.038 0.142 1.00 0.00 H new ATOM 162 N CYS A 15 8.431 4.683 -3.577 1.00 0.00 N ATOM 163 CA CYS A 15 7.217 5.415 -3.920 1.00 0.00 C ATOM 164 C CYS A 15 6.008 4.832 -3.196 1.00 0.00 C ATOM 165 O CYS A 15 5.688 3.652 -3.350 1.00 0.00 O ATOM 166 CB CYS A 15 6.987 5.383 -5.431 1.00 0.00 C ATOM 167 SG CYS A 15 7.842 6.694 -6.336 1.00 0.00 S ATOM 0 H CYS A 15 8.603 3.859 -4.153 1.00 0.00 H new ATOM 0 HA CYS A 15 7.344 6.450 -3.602 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.314 4.417 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.917 5.459 -5.627 1.00 0.00 H new ATOM 0 HG CYS A 15 7.588 6.582 -7.606 1.00 0.00 H new ATOM 173 N LEU A 16 5.340 5.664 -2.406 1.00 0.00 N ATOM 174 CA LEU A 16 4.165 5.231 -1.656 1.00 0.00 C ATOM 175 C LEU A 16 2.893 5.437 -2.471 1.00 0.00 C ATOM 176 O LEU A 16 2.391 6.555 -2.587 1.00 0.00 O ATOM 177 CB LEU A 16 4.068 5.996 -0.335 1.00 0.00 C ATOM 178 CG LEU A 16 5.144 5.681 0.704 1.00 0.00 C ATOM 179 CD1 LEU A 16 5.163 6.743 1.792 1.00 0.00 C ATOM 180 CD2 LEU A 16 4.916 4.302 1.306 1.00 0.00 C ATOM 0 H LEU A 16 5.591 6.643 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 16 4.271 4.167 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.103 7.063 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.093 5.793 0.108 1.00 0.00 H new ATOM 0 HG LEU A 16 6.114 5.683 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.935 6.502 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.375 7.715 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.192 6.774 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.691 4.094 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.939 4.273 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.954 3.550 0.518 1.00 0.00 H new ATOM 192 N VAL A 17 2.373 4.350 -3.033 1.00 0.00 N ATOM 193 CA VAL A 17 1.157 4.410 -3.835 1.00 0.00 C ATOM 194 C VAL A 17 0.036 3.599 -3.195 1.00 0.00 C ATOM 195 O VAL A 17 0.270 2.519 -2.652 1.00 0.00 O ATOM 196 CB VAL A 17 1.400 3.891 -5.264 1.00 0.00 C ATOM 197 CG1 VAL A 17 2.293 4.850 -6.037 1.00 0.00 C ATOM 198 CG2 VAL A 17 2.008 2.497 -5.227 1.00 0.00 C ATOM 0 H VAL A 17 2.776 3.417 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 17 0.862 5.458 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 17 0.441 3.832 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.453 4.466 -7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.814 5.828 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.252 4.944 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.173 2.145 -6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.959 2.529 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.328 1.817 -4.714 1.00 0.00 H new ATOM 208 N TRP A 18 -1.181 4.126 -3.262 1.00 0.00 N ATOM 209 CA TRP A 18 -2.339 3.450 -2.689 1.00 0.00 C ATOM 210 C TRP A 18 -3.430 3.257 -3.737 1.00 0.00 C ATOM 211 O TRP A 18 -3.667 4.132 -4.570 1.00 0.00 O ATOM 212 CB TRP A 18 -2.888 4.249 -1.506 1.00 0.00 C ATOM 213 CG TRP A 18 -1.907 4.394 -0.382 1.00 0.00 C ATOM 214 CD1 TRP A 18 -0.768 5.148 -0.380 1.00 0.00 C ATOM 215 CD2 TRP A 18 -1.977 3.768 0.903 1.00 0.00 C ATOM 216 NE1 TRP A 18 -0.126 5.028 0.829 1.00 0.00 N ATOM 217 CE2 TRP A 18 -0.848 4.187 1.634 1.00 0.00 C ATOM 218 CE3 TRP A 18 -2.885 2.894 1.509 1.00 0.00 C ATOM 219 CZ2 TRP A 18 -0.605 3.762 2.937 1.00 0.00 C ATOM 220 CZ3 TRP A 18 -2.642 2.473 2.802 1.00 0.00 C ATOM 221 CH2 TRP A 18 -1.510 2.907 3.505 1.00 0.00 C ATOM 0 H TRP A 18 -1.392 5.019 -3.707 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.019 2.469 -2.339 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.183 5.240 -1.851 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.788 3.760 -1.133 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.423 5.750 -1.207 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.746 5.490 1.085 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.761 2.554 0.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.267 4.095 3.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.336 1.798 3.279 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.349 2.560 4.515 1.00 0.00 H new ATOM 232 N VAL A 19 -4.092 2.105 -3.691 1.00 0.00 N ATOM 233 CA VAL A 19 -5.159 1.798 -4.635 1.00 0.00 C ATOM 234 C VAL A 19 -6.461 1.478 -3.909 1.00 0.00 C ATOM 235 O VAL A 19 -6.488 0.645 -3.003 1.00 0.00 O ATOM 236 CB VAL A 19 -4.783 0.610 -5.540 1.00 0.00 C ATOM 237 CG1 VAL A 19 -3.759 1.035 -6.582 1.00 0.00 C ATOM 238 CG2 VAL A 19 -4.258 -0.549 -4.706 1.00 0.00 C ATOM 0 H VAL A 19 -3.908 1.369 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.300 2.685 -5.252 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.679 0.275 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.506 0.182 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.176 1.831 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.860 1.397 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.997 -1.380 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.373 -0.230 -4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.027 -0.869 -4.003 1.00 0.00 H new ATOM 248 N GLN A 20 -7.537 2.144 -4.314 1.00 0.00 N ATOM 249 CA GLN A 20 -8.843 1.930 -3.701 1.00 0.00 C ATOM 250 C GLN A 20 -9.610 0.828 -4.425 1.00 0.00 C ATOM 251 O GLN A 20 -9.698 0.823 -5.653 1.00 0.00 O ATOM 252 CB GLN A 20 -9.655 3.226 -3.714 1.00 0.00 C ATOM 253 CG GLN A 20 -10.754 3.266 -2.664 1.00 0.00 C ATOM 254 CD GLN A 20 -11.723 4.413 -2.877 1.00 0.00 C ATOM 255 OE1 GLN A 20 -11.871 4.916 -3.991 1.00 0.00 O ATOM 256 NE2 GLN A 20 -12.388 4.832 -1.807 1.00 0.00 N ATOM 0 H GLN A 20 -7.531 2.836 -5.063 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.685 1.619 -2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.982 4.068 -3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.101 3.356 -4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.302 2.324 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.304 3.355 -1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.233 4.385 -0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.054 5.601 -1.889 1.00 0.00 H new ATOM 265 N CYS A 21 -10.164 -0.104 -3.656 1.00 0.00 N ATOM 266 CA CYS A 21 -10.923 -1.211 -4.224 1.00 0.00 C ATOM 267 C CYS A 21 -11.998 -0.701 -5.178 1.00 0.00 C ATOM 268 O CYS A 21 -12.418 0.453 -5.097 1.00 0.00 O ATOM 269 CB CYS A 21 -11.566 -2.040 -3.109 1.00 0.00 C ATOM 270 SG CYS A 21 -12.115 -3.695 -3.636 1.00 0.00 S ATOM 0 H CYS A 21 -10.101 -0.114 -2.638 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.234 -1.841 -4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.851 -2.149 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.422 -1.494 -2.712 1.00 0.00 H new ATOM 275 N SER A 22 -12.441 -1.570 -6.082 1.00 0.00 N ATOM 276 CA SER A 22 -13.465 -1.207 -7.054 1.00 0.00 C ATOM 277 C SER A 22 -14.861 -1.378 -6.463 1.00 0.00 C ATOM 278 O SER A 22 -15.811 -0.718 -6.883 1.00 0.00 O ATOM 279 CB SER A 22 -13.325 -2.061 -8.316 1.00 0.00 C ATOM 280 OG SER A 22 -14.521 -2.046 -9.076 1.00 0.00 O ATOM 0 H SER A 22 -12.106 -2.530 -6.161 1.00 0.00 H new ATOM 0 HA SER A 22 -13.327 -0.158 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.500 -1.687 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.078 -3.086 -8.040 1.00 0.00 H new ATOM 0 HG SER A 22 -14.363 -2.475 -9.943 1.00 0.00 H new ATOM 286 N PHE A 23 -14.977 -2.270 -5.484 1.00 0.00 N ATOM 287 CA PHE A 23 -16.256 -2.530 -4.834 1.00 0.00 C ATOM 288 C PHE A 23 -16.600 -1.419 -3.847 1.00 0.00 C ATOM 289 O PHE A 23 -15.732 -0.851 -3.185 1.00 0.00 O ATOM 290 CB PHE A 23 -16.219 -3.877 -4.110 1.00 0.00 C ATOM 291 CG PHE A 23 -16.018 -5.047 -5.030 1.00 0.00 C ATOM 292 CD1 PHE A 23 -16.973 -5.370 -5.981 1.00 0.00 C ATOM 293 CD2 PHE A 23 -14.874 -5.824 -4.945 1.00 0.00 C ATOM 294 CE1 PHE A 23 -16.791 -6.446 -6.828 1.00 0.00 C ATOM 295 CE2 PHE A 23 -14.686 -6.902 -5.790 1.00 0.00 C ATOM 296 CZ PHE A 23 -15.646 -7.212 -6.734 1.00 0.00 C ATOM 0 H PHE A 23 -14.201 -2.825 -5.124 1.00 0.00 H new ATOM 0 HA PHE A 23 -17.027 -2.560 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -15.416 -3.862 -3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -17.152 -4.012 -3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.870 -4.774 -6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -14.120 -5.585 -4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -17.544 -6.688 -7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.790 -7.501 -5.712 1.00 0.00 H new ATOM 0 HZ PHE A 23 -15.501 -8.052 -7.397 1.00 0.00 H new ATOM 306 N PRO A 24 -17.899 -1.099 -3.746 1.00 0.00 N ATOM 307 CA PRO A 24 -18.389 -0.053 -2.843 1.00 0.00 C ATOM 308 C PRO A 24 -18.273 -0.453 -1.376 1.00 0.00 C ATOM 309 O PRO A 24 -17.772 0.312 -0.553 1.00 0.00 O ATOM 310 CB PRO A 24 -19.860 0.098 -3.241 1.00 0.00 C ATOM 311 CG PRO A 24 -20.230 -1.219 -3.831 1.00 0.00 C ATOM 312 CD PRO A 24 -18.989 -1.734 -4.506 1.00 0.00 C ATOM 0 HA PRO A 24 -17.812 0.867 -2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.482 0.333 -2.377 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.995 0.906 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.570 -1.910 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.046 -1.111 -4.545 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.929 -2.821 -4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.960 -1.456 -5.559 1.00 0.00 H new ATOM 320 N ASN A 25 -18.738 -1.656 -1.057 1.00 0.00 N ATOM 321 CA ASN A 25 -18.686 -2.157 0.312 1.00 0.00 C ATOM 322 C ASN A 25 -17.254 -2.149 0.840 1.00 0.00 C ATOM 323 O ASN A 25 -17.027 -2.092 2.049 1.00 0.00 O ATOM 324 CB ASN A 25 -19.258 -3.574 0.380 1.00 0.00 C ATOM 325 CG ASN A 25 -20.774 -3.584 0.436 1.00 0.00 C ATOM 326 OD1 ASN A 25 -21.366 -3.798 1.493 1.00 0.00 O ATOM 327 ND2 ASN A 25 -21.409 -3.351 -0.707 1.00 0.00 N ATOM 0 H ASN A 25 -19.155 -2.302 -1.727 1.00 0.00 H new ATOM 0 HA ASN A 25 -19.289 -1.498 0.937 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -18.926 -4.139 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -18.861 -4.081 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -22.429 -3.345 -0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.877 -3.178 -1.560 1.00 0.00 H new ATOM 334 N CYS A 26 -16.292 -2.205 -0.074 1.00 0.00 N ATOM 335 CA CYS A 26 -14.882 -2.204 0.297 1.00 0.00 C ATOM 336 C CYS A 26 -14.358 -0.777 0.439 1.00 0.00 C ATOM 337 O CYS A 26 -14.168 -0.282 1.549 1.00 0.00 O ATOM 338 CB CYS A 26 -14.057 -2.960 -0.746 1.00 0.00 C ATOM 339 SG CYS A 26 -13.438 -4.575 -0.175 1.00 0.00 S ATOM 0 H CYS A 26 -16.463 -2.252 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 26 -14.785 -2.706 1.260 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.667 -3.111 -1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -13.209 -2.342 -1.041 1.00 0.00 H new ATOM 344 N GLY A 27 -14.128 -0.122 -0.694 1.00 0.00 N ATOM 345 CA GLY A 27 -13.629 1.241 -0.675 1.00 0.00 C ATOM 346 C GLY A 27 -12.400 1.396 0.200 1.00 0.00 C ATOM 347 O GLY A 27 -12.150 2.469 0.748 1.00 0.00 O ATOM 0 H GLY A 27 -14.278 -0.510 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.389 1.551 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.414 1.907 -0.316 1.00 0.00 H new ATOM 351 N LYS A 28 -11.631 0.320 0.333 1.00 0.00 N ATOM 352 CA LYS A 28 -10.422 0.340 1.148 1.00 0.00 C ATOM 353 C LYS A 28 -9.196 0.648 0.294 1.00 0.00 C ATOM 354 O LYS A 28 -9.133 0.272 -0.876 1.00 0.00 O ATOM 355 CB LYS A 28 -10.239 -1.004 1.857 1.00 0.00 C ATOM 356 CG LYS A 28 -11.366 -1.344 2.816 1.00 0.00 C ATOM 357 CD LYS A 28 -11.122 -2.671 3.515 1.00 0.00 C ATOM 358 CE LYS A 28 -12.194 -2.959 4.555 1.00 0.00 C ATOM 359 NZ LYS A 28 -13.557 -2.980 3.955 1.00 0.00 N ATOM 0 H LYS A 28 -11.824 -0.577 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.529 1.126 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.160 -1.792 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.298 -0.990 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.464 -0.553 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.309 -1.387 2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.104 -3.474 2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.143 -2.656 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.991 -3.919 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.153 -2.202 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.235 -3.359 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.835 -2.013 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.554 -3.582 3.107 1.00 0.00 H new ATOM 373 N TRP A 29 -8.225 1.332 0.888 1.00 0.00 N ATOM 374 CA TRP A 29 -7.000 1.688 0.181 1.00 0.00 C ATOM 375 C TRP A 29 -5.888 0.688 0.480 1.00 0.00 C ATOM 376 O TRP A 29 -5.253 0.748 1.533 1.00 0.00 O ATOM 377 CB TRP A 29 -6.553 3.098 0.573 1.00 0.00 C ATOM 378 CG TRP A 29 -7.380 4.179 -0.055 1.00 0.00 C ATOM 379 CD1 TRP A 29 -8.430 4.842 0.515 1.00 0.00 C ATOM 380 CD2 TRP A 29 -7.228 4.719 -1.371 1.00 0.00 C ATOM 381 NE1 TRP A 29 -8.939 5.763 -0.369 1.00 0.00 N ATOM 382 CE2 TRP A 29 -8.218 5.708 -1.533 1.00 0.00 C ATOM 383 CE3 TRP A 29 -6.350 4.467 -2.429 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -8.354 6.440 -2.709 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -6.486 5.194 -3.596 1.00 0.00 C ATOM 386 CH2 TRP A 29 -7.481 6.172 -3.728 1.00 0.00 C ATOM 0 H TRP A 29 -8.262 1.651 1.856 1.00 0.00 H new ATOM 0 HA TRP A 29 -7.207 1.663 -0.889 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -6.600 3.198 1.657 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.511 3.234 0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.805 4.668 1.513 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.726 6.386 -0.188 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.579 3.717 -2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.121 7.193 -2.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.814 5.005 -4.420 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.560 6.725 -4.652 1.00 0.00 H new ATOM 397 N ARG A 30 -5.658 -0.231 -0.452 1.00 0.00 N ATOM 398 CA ARG A 30 -4.624 -1.245 -0.287 1.00 0.00 C ATOM 399 C ARG A 30 -3.252 -0.686 -0.654 1.00 0.00 C ATOM 400 O ARG A 30 -3.132 0.166 -1.535 1.00 0.00 O ATOM 401 CB ARG A 30 -4.936 -2.467 -1.152 1.00 0.00 C ATOM 402 CG ARG A 30 -6.308 -3.066 -0.888 1.00 0.00 C ATOM 403 CD ARG A 30 -6.309 -3.923 0.368 1.00 0.00 C ATOM 404 NE ARG A 30 -6.808 -3.192 1.529 1.00 0.00 N ATOM 405 CZ ARG A 30 -7.282 -3.781 2.621 1.00 0.00 C ATOM 406 NH1 ARG A 30 -7.321 -5.104 2.700 1.00 0.00 N ATOM 407 NH2 ARG A 30 -7.717 -3.047 3.637 1.00 0.00 N ATOM 0 H ARG A 30 -6.174 -0.294 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.607 -1.545 0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.868 -2.185 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.176 -3.229 -0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.042 -2.266 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.613 -3.670 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.926 -4.807 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.297 -4.274 0.568 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.792 -2.173 1.500 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.987 -5.671 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.685 -5.554 3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.688 -2.029 3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.081 -3.501 4.475 1.00 0.00 H new ATOM 421 N ARG A 31 -2.220 -1.171 0.029 1.00 0.00 N ATOM 422 CA ARG A 31 -0.857 -0.719 -0.223 1.00 0.00 C ATOM 423 C ARG A 31 -0.274 -1.408 -1.454 1.00 0.00 C ATOM 424 O ARG A 31 -0.760 -2.457 -1.879 1.00 0.00 O ATOM 425 CB ARG A 31 0.028 -0.993 0.995 1.00 0.00 C ATOM 426 CG ARG A 31 -0.438 -0.286 2.257 1.00 0.00 C ATOM 427 CD ARG A 31 0.722 -0.007 3.200 1.00 0.00 C ATOM 428 NE ARG A 31 0.545 -0.659 4.494 1.00 0.00 N ATOM 429 CZ ARG A 31 0.736 -1.958 4.695 1.00 0.00 C ATOM 430 NH1 ARG A 31 1.110 -2.740 3.691 1.00 0.00 N ATOM 431 NH2 ARG A 31 0.555 -2.478 5.903 1.00 0.00 N ATOM 0 H ARG A 31 -2.302 -1.877 0.761 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.886 0.355 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.056 -2.067 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.048 -0.682 0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.926 0.652 1.991 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.182 -0.899 2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.650 -0.352 2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.819 1.069 3.347 1.00 0.00 H new ATOM 0 HE ARG A 31 0.259 -0.085 5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.252 -2.344 2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.256 -3.737 3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.269 -1.880 6.678 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.702 -3.476 6.056 1.00 0.00 H new ATOM 445 N LEU A 32 0.768 -0.812 -2.021 1.00 0.00 N ATOM 446 CA LEU A 32 1.418 -1.367 -3.203 1.00 0.00 C ATOM 447 C LEU A 32 2.920 -1.107 -3.172 1.00 0.00 C ATOM 448 O LEU A 32 3.411 -0.346 -2.338 1.00 0.00 O ATOM 449 CB LEU A 32 0.811 -0.767 -4.472 1.00 0.00 C ATOM 450 CG LEU A 32 -0.469 -1.430 -4.983 1.00 0.00 C ATOM 451 CD1 LEU A 32 -1.054 -0.639 -6.143 1.00 0.00 C ATOM 452 CD2 LEU A 32 -0.195 -2.867 -5.400 1.00 0.00 C ATOM 0 H LEU A 32 1.182 0.056 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 32 1.255 -2.445 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.602 0.287 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.559 -0.809 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.198 -1.440 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.964 -1.126 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.288 0.373 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.330 -0.596 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.117 -3.323 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.551 -2.879 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.177 -3.430 -4.544 1.00 0.00 H new ATOM 464 N CYS A 33 3.644 -1.742 -4.087 1.00 0.00 N ATOM 465 CA CYS A 33 5.091 -1.578 -4.166 1.00 0.00 C ATOM 466 C CYS A 33 5.454 -0.204 -4.721 1.00 0.00 C ATOM 467 O CYS A 33 4.578 0.600 -5.036 1.00 0.00 O ATOM 468 CB CYS A 33 5.703 -2.672 -5.042 1.00 0.00 C ATOM 469 SG CYS A 33 5.751 -4.302 -4.261 1.00 0.00 S ATOM 0 H CYS A 33 3.253 -2.375 -4.784 1.00 0.00 H new ATOM 0 HA CYS A 33 5.496 -1.661 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.133 -2.742 -5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.718 -2.381 -5.313 1.00 0.00 H new ATOM 0 HG CYS A 33 6.283 -5.160 -5.080 1.00 0.00 H new ATOM 475 N GLY A 34 6.752 0.059 -4.835 1.00 0.00 N ATOM 476 CA GLY A 34 7.208 1.337 -5.350 1.00 0.00 C ATOM 477 C GLY A 34 7.465 1.302 -6.843 1.00 0.00 C ATOM 478 O GLY A 34 8.179 2.150 -7.377 1.00 0.00 O ATOM 0 H GLY A 34 7.496 -0.590 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.462 2.101 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.123 1.628 -4.834 1.00 0.00 H new ATOM 482 N ASN A 35 6.884 0.316 -7.520 1.00 0.00 N ATOM 483 CA ASN A 35 7.057 0.173 -8.961 1.00 0.00 C ATOM 484 C ASN A 35 5.712 -0.030 -9.652 1.00 0.00 C ATOM 485 O ASN A 35 5.630 -0.680 -10.694 1.00 0.00 O ATOM 486 CB ASN A 35 7.984 -1.005 -9.269 1.00 0.00 C ATOM 487 CG ASN A 35 9.449 -0.638 -9.132 1.00 0.00 C ATOM 488 OD1 ASN A 35 10.149 -0.450 -10.127 1.00 0.00 O ATOM 489 ND2 ASN A 35 9.920 -0.536 -7.895 1.00 0.00 N ATOM 0 H ASN A 35 6.290 -0.395 -7.094 1.00 0.00 H new ATOM 0 HA ASN A 35 7.507 1.090 -9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.754 -1.831 -8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.794 -1.358 -10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.898 -0.293 -7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.303 -0.701 -7.099 1.00 0.00 H new ATOM 496 N ILE A 36 4.660 0.531 -9.065 1.00 0.00 N ATOM 497 CA ILE A 36 3.320 0.414 -9.625 1.00 0.00 C ATOM 498 C ILE A 36 2.603 1.760 -9.624 1.00 0.00 C ATOM 499 O ILE A 36 2.716 2.533 -8.672 1.00 0.00 O ATOM 500 CB ILE A 36 2.471 -0.608 -8.845 1.00 0.00 C ATOM 501 CG1 ILE A 36 3.149 -1.979 -8.853 1.00 0.00 C ATOM 502 CG2 ILE A 36 1.073 -0.698 -9.438 1.00 0.00 C ATOM 503 CD1 ILE A 36 2.600 -2.931 -7.814 1.00 0.00 C ATOM 0 H ILE A 36 4.710 1.071 -8.201 1.00 0.00 H new ATOM 0 HA ILE A 36 3.437 0.069 -10.652 1.00 0.00 H new ATOM 0 HB ILE A 36 2.385 -0.273 -7.811 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.034 -2.426 -9.840 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.218 -1.848 -8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.485 -1.424 -8.876 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.591 0.278 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.139 -1.013 -10.479 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.127 -3.883 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.739 -2.505 -6.820 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.537 -3.092 -7.994 1.00 0.00 H new ATOM 515 N ASP A 37 1.866 2.032 -10.694 1.00 0.00 N ATOM 516 CA ASP A 37 1.128 3.284 -10.816 1.00 0.00 C ATOM 517 C ASP A 37 -0.354 3.020 -11.063 1.00 0.00 C ATOM 518 O ASP A 37 -0.739 2.011 -11.655 1.00 0.00 O ATOM 519 CB ASP A 37 1.704 4.132 -11.951 1.00 0.00 C ATOM 520 CG ASP A 37 2.235 5.466 -11.465 1.00 0.00 C ATOM 521 OD1 ASP A 37 2.727 5.528 -10.319 1.00 0.00 O ATOM 522 OD2 ASP A 37 2.158 6.449 -12.231 1.00 0.00 O ATOM 0 H ASP A 37 1.763 1.403 -11.490 1.00 0.00 H new ATOM 0 HA ASP A 37 1.230 3.830 -9.878 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.507 3.581 -12.441 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.932 4.303 -12.701 1.00 0.00 H new ATOM 527 N PRO A 38 -1.206 3.946 -10.600 1.00 0.00 N ATOM 528 CA PRO A 38 -2.660 3.834 -10.759 1.00 0.00 C ATOM 529 C PRO A 38 -3.100 4.013 -12.208 1.00 0.00 C ATOM 530 O PRO A 38 -4.139 3.497 -12.619 1.00 0.00 O ATOM 531 CB PRO A 38 -3.199 4.974 -9.891 1.00 0.00 C ATOM 532 CG PRO A 38 -2.092 5.969 -9.841 1.00 0.00 C ATOM 533 CD PRO A 38 -0.817 5.173 -9.886 1.00 0.00 C ATOM 0 HA PRO A 38 -3.028 2.849 -10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.101 5.407 -10.322 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.460 4.622 -8.893 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.150 6.660 -10.682 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.146 6.568 -8.932 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.027 5.710 -10.411 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.444 4.955 -8.885 1.00 0.00 H new ATOM 541 N SER A 39 -2.302 4.746 -12.978 1.00 0.00 N ATOM 542 CA SER A 39 -2.611 4.995 -14.381 1.00 0.00 C ATOM 543 C SER A 39 -2.581 3.698 -15.182 1.00 0.00 C ATOM 544 O SER A 39 -3.484 3.421 -15.972 1.00 0.00 O ATOM 545 CB SER A 39 -1.619 5.998 -14.973 1.00 0.00 C ATOM 546 OG SER A 39 -2.070 7.329 -14.791 1.00 0.00 O ATOM 0 H SER A 39 -1.437 5.178 -12.654 1.00 0.00 H new ATOM 0 HA SER A 39 -3.616 5.413 -14.438 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.645 5.873 -14.500 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.486 5.798 -16.036 1.00 0.00 H new ATOM 0 HG SER A 39 -1.418 7.951 -15.176 1.00 0.00 H new ATOM 552 N VAL A 40 -1.534 2.905 -14.974 1.00 0.00 N ATOM 553 CA VAL A 40 -1.384 1.636 -15.676 1.00 0.00 C ATOM 554 C VAL A 40 -2.335 0.584 -15.117 1.00 0.00 C ATOM 555 O VAL A 40 -2.704 -0.366 -15.809 1.00 0.00 O ATOM 556 CB VAL A 40 0.060 1.109 -15.581 1.00 0.00 C ATOM 557 CG1 VAL A 40 1.010 2.014 -16.350 1.00 0.00 C ATOM 558 CG2 VAL A 40 0.487 0.986 -14.126 1.00 0.00 C ATOM 0 H VAL A 40 -0.777 3.119 -14.325 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.626 1.822 -16.722 1.00 0.00 H new ATOM 0 HB VAL A 40 0.097 0.117 -16.032 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.026 1.626 -16.272 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.714 2.046 -17.398 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.973 3.020 -15.932 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.510 0.612 -14.077 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.435 1.964 -13.648 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.177 0.293 -13.609 1.00 0.00 H new ATOM 568 N LEU A 41 -2.730 0.758 -13.860 1.00 0.00 N ATOM 569 CA LEU A 41 -3.639 -0.176 -13.207 1.00 0.00 C ATOM 570 C LEU A 41 -5.028 -0.113 -13.834 1.00 0.00 C ATOM 571 O LEU A 41 -5.436 0.903 -14.398 1.00 0.00 O ATOM 572 CB LEU A 41 -3.729 0.130 -11.711 1.00 0.00 C ATOM 573 CG LEU A 41 -2.563 -0.365 -10.854 1.00 0.00 C ATOM 574 CD1 LEU A 41 -2.528 0.371 -9.524 1.00 0.00 C ATOM 575 CD2 LEU A 41 -2.665 -1.867 -10.632 1.00 0.00 C ATOM 0 H LEU A 41 -2.434 1.538 -13.273 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.244 -1.183 -13.343 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.813 1.209 -11.586 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.649 -0.309 -11.325 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.634 -0.158 -11.385 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.692 0.005 -8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.407 1.439 -9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.460 0.196 -8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.827 -2.202 -10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.601 -2.097 -10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.640 -2.379 -11.594 1.00 0.00 H new ATOM 587 N PRO A 42 -5.775 -1.223 -13.733 1.00 0.00 N ATOM 588 CA PRO A 42 -7.131 -1.317 -14.282 1.00 0.00 C ATOM 589 C PRO A 42 -8.129 -0.458 -13.513 1.00 0.00 C ATOM 590 O PRO A 42 -7.796 0.122 -12.479 1.00 0.00 O ATOM 591 CB PRO A 42 -7.473 -2.801 -14.128 1.00 0.00 C ATOM 592 CG PRO A 42 -6.624 -3.271 -12.998 1.00 0.00 C ATOM 593 CD PRO A 42 -5.353 -2.470 -13.074 1.00 0.00 C ATOM 0 HA PRO A 42 -7.180 -0.958 -15.310 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.532 -2.943 -13.913 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.257 -3.354 -15.042 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.126 -3.117 -12.043 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.418 -4.338 -13.082 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.937 -2.281 -12.084 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.585 -2.988 -13.648 1.00 0.00 H new ATOM 601 N ASP A 43 -9.353 -0.381 -14.024 1.00 0.00 N ATOM 602 CA ASP A 43 -10.400 0.406 -13.384 1.00 0.00 C ATOM 603 C ASP A 43 -11.208 -0.450 -12.414 1.00 0.00 C ATOM 604 O ASP A 43 -11.750 0.052 -11.430 1.00 0.00 O ATOM 605 CB ASP A 43 -11.326 1.016 -14.438 1.00 0.00 C ATOM 606 CG ASP A 43 -12.385 0.041 -14.912 1.00 0.00 C ATOM 607 OD1 ASP A 43 -12.031 -0.916 -15.632 1.00 0.00 O ATOM 608 OD2 ASP A 43 -13.569 0.235 -14.564 1.00 0.00 O ATOM 0 H ASP A 43 -9.644 -0.854 -14.879 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.923 1.209 -12.822 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.810 1.901 -14.024 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.733 1.347 -15.291 1.00 0.00 H new ATOM 613 N ASN A 44 -11.285 -1.746 -12.700 1.00 0.00 N ATOM 614 CA ASN A 44 -12.029 -2.672 -11.854 1.00 0.00 C ATOM 615 C ASN A 44 -11.100 -3.371 -10.865 1.00 0.00 C ATOM 616 O ASN A 44 -11.356 -4.501 -10.449 1.00 0.00 O ATOM 617 CB ASN A 44 -12.752 -3.711 -12.712 1.00 0.00 C ATOM 618 CG ASN A 44 -14.035 -4.201 -12.069 1.00 0.00 C ATOM 619 OD1 ASN A 44 -15.147 -4.055 -12.781 1.00 0.00 O flip ATOM 620 ND2 ASN A 44 -14.027 -4.704 -10.946 1.00 0.00 N flip ATOM 0 H ASN A 44 -10.842 -2.178 -13.511 1.00 0.00 H new ATOM 0 HA ASN A 44 -12.766 -2.099 -11.291 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.979 -3.279 -13.686 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -12.089 -4.559 -12.886 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.149 -4.796 -10.435 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -14.898 -5.029 -10.526 1.00 0.00 H new ATOM 627 N TRP A 45 -10.022 -2.690 -10.492 1.00 0.00 N ATOM 628 CA TRP A 45 -9.055 -3.245 -9.552 1.00 0.00 C ATOM 629 C TRP A 45 -9.699 -3.492 -8.192 1.00 0.00 C ATOM 630 O TRP A 45 -10.557 -2.726 -7.753 1.00 0.00 O ATOM 631 CB TRP A 45 -7.861 -2.302 -9.401 1.00 0.00 C ATOM 632 CG TRP A 45 -6.746 -2.881 -8.583 1.00 0.00 C ATOM 633 CD1 TRP A 45 -5.602 -3.461 -9.052 1.00 0.00 C ATOM 634 CD2 TRP A 45 -6.671 -2.938 -7.155 1.00 0.00 C ATOM 635 NE1 TRP A 45 -4.820 -3.875 -8.001 1.00 0.00 N ATOM 636 CE2 TRP A 45 -5.453 -3.565 -6.826 1.00 0.00 C ATOM 637 CE3 TRP A 45 -7.513 -2.518 -6.121 1.00 0.00 C ATOM 638 CZ2 TRP A 45 -5.060 -3.782 -5.508 1.00 0.00 C ATOM 639 CZ3 TRP A 45 -7.121 -2.735 -4.814 1.00 0.00 C ATOM 640 CH2 TRP A 45 -5.904 -3.361 -4.516 1.00 0.00 C ATOM 0 H TRP A 45 -9.796 -1.753 -10.826 1.00 0.00 H new ATOM 0 HA TRP A 45 -8.707 -4.199 -9.947 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -7.481 -2.047 -10.390 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -8.197 -1.374 -8.939 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -5.349 -3.577 -10.096 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.915 -4.338 -8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.453 -2.033 -6.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.122 -4.265 -5.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.765 -2.416 -4.008 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.626 -3.514 -3.484 1.00 0.00 H new ATOM 651 N SER A 46 -9.279 -4.565 -7.529 1.00 0.00 N ATOM 652 CA SER A 46 -9.818 -4.914 -6.220 1.00 0.00 C ATOM 653 C SER A 46 -8.710 -5.389 -5.286 1.00 0.00 C ATOM 654 O SER A 46 -7.550 -5.497 -5.683 1.00 0.00 O ATOM 655 CB SER A 46 -10.886 -6.002 -6.358 1.00 0.00 C ATOM 656 OG SER A 46 -10.494 -6.983 -7.302 1.00 0.00 O ATOM 0 H SER A 46 -8.567 -5.207 -7.877 1.00 0.00 H new ATOM 0 HA SER A 46 -10.273 -4.021 -5.792 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.058 -6.472 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.830 -5.553 -6.666 1.00 0.00 H new ATOM 0 HG SER A 46 -11.192 -7.668 -7.371 1.00 0.00 H new ATOM 662 N CYS A 47 -9.076 -5.672 -4.040 1.00 0.00 N ATOM 663 CA CYS A 47 -8.115 -6.135 -3.046 1.00 0.00 C ATOM 664 C CYS A 47 -7.433 -7.421 -3.507 1.00 0.00 C ATOM 665 O CYS A 47 -6.279 -7.681 -3.165 1.00 0.00 O ATOM 666 CB CYS A 47 -8.809 -6.366 -1.703 1.00 0.00 C ATOM 667 SG CYS A 47 -9.777 -4.940 -1.112 1.00 0.00 S ATOM 0 H CYS A 47 -10.032 -5.589 -3.695 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.354 -5.364 -2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.469 -7.229 -1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.056 -6.616 -0.955 1.00 0.00 H new ATOM 672 N ASP A 48 -8.156 -8.221 -4.283 1.00 0.00 N ATOM 673 CA ASP A 48 -7.621 -9.479 -4.791 1.00 0.00 C ATOM 674 C ASP A 48 -6.454 -9.229 -5.742 1.00 0.00 C ATOM 675 O ASP A 48 -5.669 -10.133 -6.026 1.00 0.00 O ATOM 676 CB ASP A 48 -8.717 -10.271 -5.507 1.00 0.00 C ATOM 677 CG ASP A 48 -8.198 -11.559 -6.114 1.00 0.00 C ATOM 678 OD1 ASP A 48 -7.917 -12.505 -5.348 1.00 0.00 O ATOM 679 OD2 ASP A 48 -8.071 -11.622 -7.355 1.00 0.00 O ATOM 0 H ASP A 48 -9.113 -8.021 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.258 -10.060 -3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.515 -10.501 -4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.154 -9.653 -6.292 1.00 0.00 H new ATOM 684 N GLN A 49 -6.349 -7.998 -6.230 1.00 0.00 N ATOM 685 CA GLN A 49 -5.279 -7.630 -7.149 1.00 0.00 C ATOM 686 C GLN A 49 -4.155 -6.906 -6.416 1.00 0.00 C ATOM 687 O GLN A 49 -3.445 -6.088 -7.000 1.00 0.00 O ATOM 688 CB GLN A 49 -5.824 -6.746 -8.272 1.00 0.00 C ATOM 689 CG GLN A 49 -6.697 -7.494 -9.266 1.00 0.00 C ATOM 690 CD GLN A 49 -7.364 -6.572 -10.268 1.00 0.00 C ATOM 691 OE1 GLN A 49 -6.694 -5.825 -10.982 1.00 0.00 O ATOM 692 NE2 GLN A 49 -8.689 -6.619 -10.325 1.00 0.00 N ATOM 0 H GLN A 49 -6.992 -7.239 -6.005 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.875 -8.546 -7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.402 -5.932 -7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.988 -6.293 -8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.089 -8.225 -9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.462 -8.050 -8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.204 -7.254 -9.714 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.193 -6.021 -10.980 1.00 0.00 H new ATOM 701 N ASN A 50 -4.000 -7.212 -5.132 1.00 0.00 N ATOM 702 CA ASN A 50 -2.962 -6.589 -4.317 1.00 0.00 C ATOM 703 C ASN A 50 -1.701 -7.447 -4.293 1.00 0.00 C ATOM 704 O ASN A 50 -1.750 -8.650 -4.550 1.00 0.00 O ATOM 705 CB ASN A 50 -3.469 -6.366 -2.891 1.00 0.00 C ATOM 706 CG ASN A 50 -2.806 -5.179 -2.220 1.00 0.00 C ATOM 707 OD1 ASN A 50 -2.326 -5.382 -0.998 1.00 0.00 O flip ATOM 708 ND2 ASN A 50 -2.725 -4.093 -2.793 1.00 0.00 N flip ATOM 0 H ASN A 50 -4.579 -7.887 -4.633 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.715 -5.625 -4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.548 -6.212 -2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.287 -7.263 -2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.108 -3.982 -3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.275 -3.304 -2.329 1.00 0.00 H new ATOM 715 N THR A 51 -0.571 -6.820 -3.980 1.00 0.00 N ATOM 716 CA THR A 51 0.703 -7.525 -3.922 1.00 0.00 C ATOM 717 C THR A 51 1.028 -7.956 -2.497 1.00 0.00 C ATOM 718 O THR A 51 1.813 -8.880 -2.281 1.00 0.00 O ATOM 719 CB THR A 51 1.853 -6.651 -4.457 1.00 0.00 C ATOM 720 OG1 THR A 51 2.036 -5.510 -3.611 1.00 0.00 O ATOM 721 CG2 THR A 51 1.569 -6.194 -5.880 1.00 0.00 C ATOM 0 H THR A 51 -0.513 -5.825 -3.763 1.00 0.00 H new ATOM 0 HA THR A 51 0.605 -8.409 -4.552 1.00 0.00 H new ATOM 0 HB THR A 51 2.764 -7.250 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.770 -4.961 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.395 -5.578 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.460 -7.065 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.648 -5.611 -5.898 1.00 0.00 H new ATOM 729 N ASP A 52 0.420 -7.282 -1.526 1.00 0.00 N ATOM 730 CA ASP A 52 0.644 -7.598 -0.120 1.00 0.00 C ATOM 731 C ASP A 52 -0.375 -8.618 0.377 1.00 0.00 C ATOM 732 O ASP A 52 -1.562 -8.316 0.502 1.00 0.00 O ATOM 733 CB ASP A 52 0.567 -6.327 0.728 1.00 0.00 C ATOM 734 CG ASP A 52 1.121 -6.529 2.125 1.00 0.00 C ATOM 735 OD1 ASP A 52 1.745 -7.582 2.369 1.00 0.00 O ATOM 736 OD2 ASP A 52 0.930 -5.633 2.973 1.00 0.00 O ATOM 0 H ASP A 52 -0.231 -6.514 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 52 1.640 -8.030 -0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.120 -5.529 0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.471 -6.001 0.795 1.00 0.00 H new ATOM 741 N VAL A 53 0.096 -9.829 0.657 1.00 0.00 N ATOM 742 CA VAL A 53 -0.774 -10.895 1.140 1.00 0.00 C ATOM 743 C VAL A 53 -1.529 -10.463 2.392 1.00 0.00 C ATOM 744 O VAL A 53 -2.607 -10.977 2.686 1.00 0.00 O ATOM 745 CB VAL A 53 0.026 -12.174 1.452 1.00 0.00 C ATOM 746 CG1 VAL A 53 0.754 -12.664 0.210 1.00 0.00 C ATOM 747 CG2 VAL A 53 1.004 -11.926 2.591 1.00 0.00 C ATOM 0 H VAL A 53 1.075 -10.096 0.558 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.488 -11.107 0.344 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.671 -12.951 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.314 -13.568 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.029 -12.883 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.442 -11.893 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.561 -12.840 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.698 -11.134 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.455 -11.626 3.483 1.00 0.00 H new ATOM 757 N GLN A 54 -0.954 -9.515 3.126 1.00 0.00 N ATOM 758 CA GLN A 54 -1.573 -9.014 4.347 1.00 0.00 C ATOM 759 C GLN A 54 -2.858 -8.254 4.034 1.00 0.00 C ATOM 760 O GLN A 54 -3.730 -8.109 4.891 1.00 0.00 O ATOM 761 CB GLN A 54 -0.601 -8.105 5.101 1.00 0.00 C ATOM 762 CG GLN A 54 0.741 -8.758 5.391 1.00 0.00 C ATOM 763 CD GLN A 54 1.347 -8.291 6.700 1.00 0.00 C ATOM 764 OE1 GLN A 54 1.224 -7.124 7.073 1.00 0.00 O ATOM 765 NE2 GLN A 54 2.006 -9.202 7.406 1.00 0.00 N ATOM 0 H GLN A 54 -0.061 -9.079 2.896 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.822 -9.869 4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.437 -7.199 4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.058 -7.799 6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.616 -9.840 5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.431 -8.538 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.083 -10.158 7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.435 -8.946 8.295 1.00 0.00 H new ATOM 774 N TYR A 55 -2.969 -7.772 2.801 1.00 0.00 N ATOM 775 CA TYR A 55 -4.146 -7.025 2.376 1.00 0.00 C ATOM 776 C TYR A 55 -4.479 -7.317 0.916 1.00 0.00 C ATOM 777 O TYR A 55 -4.628 -6.403 0.106 1.00 0.00 O ATOM 778 CB TYR A 55 -3.921 -5.524 2.568 1.00 0.00 C ATOM 779 CG TYR A 55 -3.465 -5.153 3.961 1.00 0.00 C ATOM 780 CD1 TYR A 55 -2.128 -5.259 4.327 1.00 0.00 C ATOM 781 CD2 TYR A 55 -4.370 -4.699 4.912 1.00 0.00 C ATOM 782 CE1 TYR A 55 -1.707 -4.923 5.599 1.00 0.00 C ATOM 783 CE2 TYR A 55 -3.957 -4.359 6.185 1.00 0.00 C ATOM 784 CZ TYR A 55 -2.625 -4.473 6.524 1.00 0.00 C ATOM 785 OH TYR A 55 -2.211 -4.136 7.792 1.00 0.00 O ATOM 0 H TYR A 55 -2.258 -7.885 2.079 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.987 -7.342 2.993 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.177 -5.182 1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.848 -4.995 2.345 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.406 -5.610 3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.414 -4.610 4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.665 -5.012 5.867 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.674 -4.006 6.912 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.981 -3.837 8.319 1.00 0.00 H new ATOM 795 N ASN A 56 -4.595 -8.600 0.588 1.00 0.00 N ATOM 796 CA ASN A 56 -4.911 -9.016 -0.774 1.00 0.00 C ATOM 797 C ASN A 56 -6.313 -9.612 -0.849 1.00 0.00 C ATOM 798 O ASN A 56 -6.627 -10.371 -1.767 1.00 0.00 O ATOM 799 CB ASN A 56 -3.883 -10.035 -1.269 1.00 0.00 C ATOM 800 CG ASN A 56 -4.221 -11.451 -0.844 1.00 0.00 C ATOM 801 OD1 ASN A 56 -4.799 -12.220 -1.612 1.00 0.00 O ATOM 802 ND2 ASN A 56 -3.862 -11.801 0.386 1.00 0.00 N ATOM 0 H ASN A 56 -4.475 -9.369 1.247 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.876 -8.135 -1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.825 -9.989 -2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.898 -9.769 -0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.064 -12.740 0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.385 -11.130 0.988 1.00 0.00 H new ATOM 809 N ARG A 57 -7.151 -9.264 0.121 1.00 0.00 N ATOM 810 CA ARG A 57 -8.520 -9.766 0.165 1.00 0.00 C ATOM 811 C ARG A 57 -9.502 -8.638 0.465 1.00 0.00 C ATOM 812 O ARG A 57 -9.132 -7.613 1.039 1.00 0.00 O ATOM 813 CB ARG A 57 -8.649 -10.864 1.222 1.00 0.00 C ATOM 814 CG ARG A 57 -7.726 -12.048 0.986 1.00 0.00 C ATOM 815 CD ARG A 57 -8.507 -13.295 0.602 1.00 0.00 C ATOM 816 NE ARG A 57 -7.652 -14.478 0.537 1.00 0.00 N ATOM 817 CZ ARG A 57 -8.041 -15.638 0.022 1.00 0.00 C ATOM 818 NH1 ARG A 57 -9.265 -15.772 -0.471 1.00 0.00 N ATOM 819 NH2 ARG A 57 -7.205 -16.669 -0.002 1.00 0.00 N ATOM 0 H ARG A 57 -6.907 -8.637 0.887 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.760 -10.183 -0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.437 -10.439 2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.680 -11.217 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.015 -11.805 0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.146 -12.244 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.303 -13.462 1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.985 -13.140 -0.365 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.704 -14.409 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.910 -14.982 -0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.561 -16.665 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.263 -16.570 0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.505 -17.560 -0.398 1.00 0.00 H new ATOM 833 N CYS A 58 -10.757 -8.833 0.072 1.00 0.00 N ATOM 834 CA CYS A 58 -11.794 -7.833 0.298 1.00 0.00 C ATOM 835 C CYS A 58 -12.373 -7.958 1.704 1.00 0.00 C ATOM 836 O CYS A 58 -13.257 -7.194 2.092 1.00 0.00 O ATOM 837 CB CYS A 58 -12.908 -7.980 -0.740 1.00 0.00 C ATOM 838 SG CYS A 58 -12.485 -7.319 -2.384 1.00 0.00 S ATOM 0 H CYS A 58 -11.080 -9.675 -0.405 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.341 -6.847 0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.161 -9.036 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -13.800 -7.471 -0.374 1.00 0.00 H new ATOM 843 N ASP A 59 -11.870 -8.926 2.461 1.00 0.00 N ATOM 844 CA ASP A 59 -12.336 -9.151 3.825 1.00 0.00 C ATOM 845 C ASP A 59 -11.367 -8.548 4.837 1.00 0.00 C ATOM 846 O ASP A 59 -11.749 -8.232 5.964 1.00 0.00 O ATOM 847 CB ASP A 59 -12.503 -10.648 4.089 1.00 0.00 C ATOM 848 CG ASP A 59 -13.498 -10.933 5.196 1.00 0.00 C ATOM 849 OD1 ASP A 59 -14.605 -10.357 5.161 1.00 0.00 O ATOM 850 OD2 ASP A 59 -13.170 -11.732 6.098 1.00 0.00 O ATOM 0 H ASP A 59 -11.139 -9.568 2.154 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.303 -8.660 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.831 -11.141 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.537 -11.077 4.354 1.00 0.00 H new ATOM 855 N ILE A 60 -10.112 -8.394 4.427 1.00 0.00 N ATOM 856 CA ILE A 60 -9.089 -7.829 5.298 1.00 0.00 C ATOM 857 C ILE A 60 -9.325 -6.340 5.530 1.00 0.00 C ATOM 858 O ILE A 60 -9.448 -5.552 4.592 1.00 0.00 O ATOM 859 CB ILE A 60 -7.679 -8.029 4.713 1.00 0.00 C ATOM 860 CG1 ILE A 60 -7.390 -9.519 4.518 1.00 0.00 C ATOM 861 CG2 ILE A 60 -6.634 -7.396 5.621 1.00 0.00 C ATOM 862 CD1 ILE A 60 -6.260 -9.794 3.551 1.00 0.00 C ATOM 0 H ILE A 60 -9.780 -8.652 3.498 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.157 -8.357 6.249 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.633 -7.539 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.147 -9.963 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.293 -10.012 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.642 -7.546 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.832 -6.328 5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.679 -7.860 6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.111 -10.870 3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.508 -9.380 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.345 -9.330 3.919 1.00 0.00 H new ATOM 874 N PRO A 61 -9.388 -5.944 6.810 1.00 0.00 N ATOM 875 CA PRO A 61 -9.607 -4.546 7.196 1.00 0.00 C ATOM 876 C PRO A 61 -8.405 -3.663 6.879 1.00 0.00 C ATOM 877 O PRO A 61 -7.292 -4.155 6.699 1.00 0.00 O ATOM 878 CB PRO A 61 -9.828 -4.626 8.708 1.00 0.00 C ATOM 879 CG PRO A 61 -9.121 -5.869 9.129 1.00 0.00 C ATOM 880 CD PRO A 61 -9.250 -6.829 7.979 1.00 0.00 C ATOM 0 HA PRO A 61 -10.440 -4.098 6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.423 -3.750 9.214 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.890 -4.673 8.951 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.074 -5.666 9.352 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.565 -6.283 10.034 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.375 -7.474 7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.116 -7.480 8.094 1.00 0.00 H new ATOM 888 N GLU A 62 -8.639 -2.356 6.813 1.00 0.00 N ATOM 889 CA GLU A 62 -7.574 -1.404 6.518 1.00 0.00 C ATOM 890 C GLU A 62 -6.630 -1.256 7.708 1.00 0.00 C ATOM 891 O GLU A 62 -6.991 -1.572 8.841 1.00 0.00 O ATOM 892 CB GLU A 62 -8.165 -0.042 6.149 1.00 0.00 C ATOM 893 CG GLU A 62 -9.116 -0.091 4.965 1.00 0.00 C ATOM 894 CD GLU A 62 -10.038 1.111 4.906 1.00 0.00 C ATOM 895 OE1 GLU A 62 -11.121 1.060 5.526 1.00 0.00 O ATOM 896 OE2 GLU A 62 -9.675 2.104 4.241 1.00 0.00 O ATOM 0 H GLU A 62 -9.555 -1.933 6.960 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.005 -1.787 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.694 0.361 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.352 0.648 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.538 -0.147 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.714 -1.000 5.022 1.00 0.00 H new ATOM 903 N GLU A 63 -5.421 -0.774 7.440 1.00 0.00 N ATOM 904 CA GLU A 63 -4.425 -0.586 8.489 1.00 0.00 C ATOM 905 C GLU A 63 -4.990 0.253 9.631 1.00 0.00 C ATOM 906 O GLU A 63 -6.088 0.802 9.530 1.00 0.00 O ATOM 907 CB GLU A 63 -3.173 0.084 7.919 1.00 0.00 C ATOM 908 CG GLU A 63 -2.081 -0.898 7.530 1.00 0.00 C ATOM 909 CD GLU A 63 -1.160 -1.236 8.687 1.00 0.00 C ATOM 910 OE1 GLU A 63 -1.637 -1.851 9.663 1.00 0.00 O ATOM 911 OE2 GLU A 63 0.036 -0.884 8.616 1.00 0.00 O ATOM 0 H GLU A 63 -5.107 -0.507 6.507 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.157 -1.567 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.452 0.670 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.777 0.782 8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.538 -1.814 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.493 -0.478 6.714 1.00 0.00 H new ATOM 918 N THR A 64 -4.232 0.349 10.719 1.00 0.00 N ATOM 919 CA THR A 64 -4.656 1.119 11.881 1.00 0.00 C ATOM 920 C THR A 64 -3.917 2.450 11.958 1.00 0.00 C ATOM 921 O THR A 64 -2.694 2.500 11.830 1.00 0.00 O ATOM 922 CB THR A 64 -4.422 0.338 13.188 1.00 0.00 C ATOM 923 OG1 THR A 64 -3.235 -0.455 13.079 1.00 0.00 O ATOM 924 CG2 THR A 64 -5.610 -0.558 13.504 1.00 0.00 C ATOM 0 H THR A 64 -3.320 -0.098 10.819 1.00 0.00 H new ATOM 0 HA THR A 64 -5.724 1.306 11.764 1.00 0.00 H new ATOM 0 HB THR A 64 -4.305 1.057 13.999 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.092 -0.947 13.914 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.421 -1.099 14.431 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.506 0.052 13.616 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.755 -1.270 12.692 1.00 0.00 H new ATOM 932 N TRP A 65 -4.667 3.526 12.168 1.00 0.00 N ATOM 933 CA TRP A 65 -4.081 4.858 12.263 1.00 0.00 C ATOM 934 C TRP A 65 -3.689 5.180 13.701 1.00 0.00 C ATOM 935 O TRP A 65 -4.530 5.565 14.514 1.00 0.00 O ATOM 936 CB TRP A 65 -5.065 5.908 11.743 1.00 0.00 C ATOM 937 CG TRP A 65 -4.922 6.180 10.276 1.00 0.00 C ATOM 938 CD1 TRP A 65 -4.786 5.256 9.280 1.00 0.00 C ATOM 939 CD2 TRP A 65 -4.899 7.463 9.641 1.00 0.00 C ATOM 940 NE1 TRP A 65 -4.680 5.887 8.064 1.00 0.00 N ATOM 941 CE2 TRP A 65 -4.748 7.241 8.258 1.00 0.00 C ATOM 942 CE3 TRP A 65 -4.994 8.778 10.105 1.00 0.00 C ATOM 943 CZ2 TRP A 65 -4.688 8.285 7.339 1.00 0.00 C ATOM 944 CZ3 TRP A 65 -4.934 9.813 9.192 1.00 0.00 C ATOM 945 CH2 TRP A 65 -4.783 9.562 7.821 1.00 0.00 C ATOM 0 H TRP A 65 -5.681 3.502 12.276 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.181 4.876 11.648 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -6.083 5.574 11.946 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -4.919 6.837 12.294 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.765 4.186 9.426 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.569 5.422 7.163 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -5.112 8.981 11.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -4.571 8.094 6.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.005 10.833 9.540 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -4.741 10.393 7.132 1.00 0.00 H new ATOM 956 N THR A 66 -2.406 5.019 14.010 1.00 0.00 N ATOM 957 CA THR A 66 -1.903 5.292 15.350 1.00 0.00 C ATOM 958 C THR A 66 -1.033 6.543 15.367 1.00 0.00 C ATOM 959 O THR A 66 -0.277 6.798 14.431 1.00 0.00 O ATOM 960 CB THR A 66 -1.086 4.105 15.896 1.00 0.00 C ATOM 961 OG1 THR A 66 -0.164 3.646 14.901 1.00 0.00 O ATOM 962 CG2 THR A 66 -2.002 2.963 16.311 1.00 0.00 C ATOM 0 H THR A 66 -1.696 4.701 13.350 1.00 0.00 H new ATOM 0 HA THR A 66 -2.773 5.449 15.988 1.00 0.00 H new ATOM 0 HB THR A 66 -0.535 4.445 16.773 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.353 2.893 15.256 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.403 2.136 16.693 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.683 3.307 17.089 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.577 2.626 15.448 1.00 0.00 H new ATOM 970 N GLY A 67 -1.144 7.321 16.440 1.00 0.00 N ATOM 971 CA GLY A 67 -0.360 8.537 16.559 1.00 0.00 C ATOM 972 C GLY A 67 -1.213 9.787 16.474 1.00 0.00 C ATOM 973 O GLY A 67 -2.442 9.708 16.433 1.00 0.00 O ATOM 0 H GLY A 67 -1.763 7.131 17.228 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.175 8.530 17.509 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.392 8.560 15.770 1.00 0.00 H new ATOM 977 N LEU A 68 -0.563 10.945 16.449 1.00 0.00 N ATOM 978 CA LEU A 68 -1.270 12.218 16.370 1.00 0.00 C ATOM 979 C LEU A 68 -0.735 13.068 15.221 1.00 0.00 C ATOM 980 O LEU A 68 0.474 13.149 15.008 1.00 0.00 O ATOM 981 CB LEU A 68 -1.135 12.981 17.689 1.00 0.00 C ATOM 982 CG LEU A 68 -1.824 14.345 17.748 1.00 0.00 C ATOM 983 CD1 LEU A 68 -3.332 14.178 17.854 1.00 0.00 C ATOM 984 CD2 LEU A 68 -1.292 15.160 18.919 1.00 0.00 C ATOM 0 H LEU A 68 0.453 11.029 16.482 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.323 12.009 16.184 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.536 12.358 18.489 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.074 13.123 17.897 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.603 14.883 16.826 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.805 15.159 17.895 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.700 13.634 16.984 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.574 13.621 18.759 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.793 16.128 18.946 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.483 14.626 19.850 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.219 15.310 18.800 1.00 0.00 H new ATOM 996 N GLU A 69 -1.645 13.700 14.486 1.00 0.00 N ATOM 997 CA GLU A 69 -1.264 14.544 13.360 1.00 0.00 C ATOM 998 C GLU A 69 -1.044 15.985 13.811 1.00 0.00 C ATOM 999 O GLU A 69 -2.014 16.676 14.117 1.00 0.00 O ATOM 1000 CB GLU A 69 -2.339 14.497 12.272 1.00 0.00 C ATOM 1001 CG GLU A 69 -1.874 15.046 10.934 1.00 0.00 C ATOM 1002 CD GLU A 69 -1.021 14.058 10.162 1.00 0.00 C ATOM 1003 OE1 GLU A 69 -1.595 13.160 9.512 1.00 0.00 O ATOM 1004 OE2 GLU A 69 0.221 14.182 10.209 1.00 0.00 O ATOM 0 H GLU A 69 -2.650 13.643 14.650 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.328 14.162 12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.664 13.465 12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.208 15.065 12.606 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.743 15.316 10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.304 15.961 11.099 1.00 0.00 H new TER 1011 GLU A 69 HETATM 1012 ZN ZN A 201 -11.978 -5.129 -1.908 1.00 0.00 ZN