USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 312 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 NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 2:sc= 0.448 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.02 USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00492) USER MOD Single : A 16 ASN : amide:sc= -0.581 K(o=-0.58,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ -121:sc= 0.218 (180deg=-0.124) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-6.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -0.0668 (180deg=-0.378) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -59:sc= 0.433 USER MOD Single : A 44 SER OG : rot 27:sc= 0.427 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.961 -19.906 9.584 1.00 0.00 N ATOM 2 CA GLY A 1 1.698 -19.142 10.574 1.00 0.00 C ATOM 3 C GLY A 1 2.867 -18.387 9.972 1.00 0.00 C ATOM 4 O GLY A 1 4.009 -18.554 10.399 1.00 0.00 O ATOM 0 H1 GLY A 1 0.173 -20.403 10.046 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.587 -19.263 8.857 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.595 -20.600 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.024 -18.435 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.065 -19.815 11.349 1.00 0.00 H new ATOM 8 N SER A 2 2.581 -17.555 8.975 1.00 0.00 N ATOM 9 CA SER A 2 3.618 -16.775 8.309 1.00 0.00 C ATOM 10 C SER A 2 3.021 -15.547 7.628 1.00 0.00 C ATOM 11 O SER A 2 2.305 -15.663 6.633 1.00 0.00 O ATOM 12 CB SER A 2 4.352 -17.637 7.281 1.00 0.00 C ATOM 13 OG SER A 2 5.043 -18.703 7.909 1.00 0.00 O ATOM 0 H SER A 2 1.640 -17.404 8.611 1.00 0.00 H new ATOM 0 HA SER A 2 4.328 -16.440 9.065 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.638 -18.037 6.561 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.057 -17.021 6.723 1.00 0.00 H new ATOM 0 HG SER A 2 4.873 -18.680 8.874 1.00 0.00 H new ATOM 19 N SER A 3 3.321 -14.372 8.171 1.00 0.00 N ATOM 20 CA SER A 3 2.812 -13.122 7.619 1.00 0.00 C ATOM 21 C SER A 3 3.761 -11.967 7.923 1.00 0.00 C ATOM 22 O SER A 3 4.411 -11.942 8.967 1.00 0.00 O ATOM 23 CB SER A 3 1.423 -12.818 8.186 1.00 0.00 C ATOM 24 OG SER A 3 0.933 -11.582 7.697 1.00 0.00 O ATOM 0 H SER A 3 3.914 -14.259 8.993 1.00 0.00 H new ATOM 0 HA SER A 3 2.739 -13.234 6.537 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.734 -13.618 7.917 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.469 -12.790 9.275 1.00 0.00 H new ATOM 0 HG SER A 3 0.044 -11.411 8.072 1.00 0.00 H new ATOM 30 N GLY A 4 3.836 -11.012 7.001 1.00 0.00 N ATOM 31 CA GLY A 4 4.708 -9.868 7.187 1.00 0.00 C ATOM 32 C GLY A 4 5.281 -9.356 5.880 1.00 0.00 C ATOM 33 O GLY A 4 4.642 -9.458 4.833 1.00 0.00 O ATOM 0 H GLY A 4 3.308 -11.011 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.152 -9.067 7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.524 -10.142 7.855 1.00 0.00 H new ATOM 37 N SER A 5 6.488 -8.804 5.941 1.00 0.00 N ATOM 38 CA SER A 5 7.145 -8.269 4.753 1.00 0.00 C ATOM 39 C SER A 5 8.049 -9.318 4.114 1.00 0.00 C ATOM 40 O SER A 5 8.643 -10.146 4.805 1.00 0.00 O ATOM 41 CB SER A 5 7.961 -7.026 5.112 1.00 0.00 C ATOM 42 OG SER A 5 9.202 -7.381 5.696 1.00 0.00 O ATOM 0 H SER A 5 7.031 -8.715 6.800 1.00 0.00 H new ATOM 0 HA SER A 5 6.374 -7.993 4.034 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.135 -6.430 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.395 -6.403 5.804 1.00 0.00 H new ATOM 0 HG SER A 5 9.705 -6.569 5.915 1.00 0.00 H new ATOM 48 N SER A 6 8.149 -9.277 2.790 1.00 0.00 N ATOM 49 CA SER A 6 8.978 -10.225 2.055 1.00 0.00 C ATOM 50 C SER A 6 9.391 -9.653 0.703 1.00 0.00 C ATOM 51 O SER A 6 8.579 -9.558 -0.217 1.00 0.00 O ATOM 52 CB SER A 6 8.228 -11.543 1.857 1.00 0.00 C ATOM 53 OG SER A 6 9.079 -12.539 1.317 1.00 0.00 O ATOM 0 H SER A 6 7.666 -8.597 2.203 1.00 0.00 H new ATOM 0 HA SER A 6 9.879 -10.412 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.826 -11.883 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.379 -11.385 1.191 1.00 0.00 H new ATOM 0 HG SER A 6 8.576 -13.372 1.202 1.00 0.00 H new ATOM 59 N GLY A 7 10.660 -9.272 0.590 1.00 0.00 N ATOM 60 CA GLY A 7 11.159 -8.714 -0.653 1.00 0.00 C ATOM 61 C GLY A 7 12.434 -9.388 -1.120 1.00 0.00 C ATOM 62 O GLY A 7 12.776 -10.474 -0.655 1.00 0.00 O ATOM 0 H GLY A 7 11.351 -9.340 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.396 -8.813 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.342 -7.648 -0.521 1.00 0.00 H new ATOM 66 N SER A 8 13.138 -8.742 -2.045 1.00 0.00 N ATOM 67 CA SER A 8 14.379 -9.289 -2.580 1.00 0.00 C ATOM 68 C SER A 8 15.567 -8.406 -2.208 1.00 0.00 C ATOM 69 O SER A 8 16.448 -8.152 -3.028 1.00 0.00 O ATOM 70 CB SER A 8 14.288 -9.424 -4.101 1.00 0.00 C ATOM 71 OG SER A 8 14.329 -8.155 -4.730 1.00 0.00 O ATOM 0 H SER A 8 12.870 -7.840 -2.439 1.00 0.00 H new ATOM 0 HA SER A 8 14.530 -10.276 -2.143 1.00 0.00 H new ATOM 0 HB2 SER A 8 15.111 -10.040 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.364 -9.936 -4.369 1.00 0.00 H new ATOM 0 HG SER A 8 14.271 -8.269 -5.702 1.00 0.00 H new ATOM 77 N GLY A 9 15.582 -7.940 -0.962 1.00 0.00 N ATOM 78 CA GLY A 9 16.664 -7.091 -0.501 1.00 0.00 C ATOM 79 C GLY A 9 16.183 -5.986 0.418 1.00 0.00 C ATOM 80 O GLY A 9 15.490 -6.246 1.401 1.00 0.00 O ATOM 0 H GLY A 9 14.864 -8.136 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 9 17.401 -7.700 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 9 17.168 -6.650 -1.361 1.00 0.00 H new ATOM 84 N GLU A 10 16.554 -4.750 0.100 1.00 0.00 N ATOM 85 CA GLU A 10 16.157 -3.602 0.907 1.00 0.00 C ATOM 86 C GLU A 10 16.123 -2.330 0.065 1.00 0.00 C ATOM 87 O GLU A 10 16.685 -2.282 -1.029 1.00 0.00 O ATOM 88 CB GLU A 10 17.117 -3.422 2.085 1.00 0.00 C ATOM 89 CG GLU A 10 16.747 -4.250 3.304 1.00 0.00 C ATOM 90 CD GLU A 10 17.708 -4.047 4.460 1.00 0.00 C ATOM 91 OE1 GLU A 10 18.910 -4.341 4.290 1.00 0.00 O ATOM 92 OE2 GLU A 10 17.258 -3.596 5.534 1.00 0.00 O ATOM 0 H GLU A 10 17.129 -4.518 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 10 15.154 -3.790 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.124 -3.690 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.141 -2.369 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.739 -3.988 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.731 -5.305 3.031 1.00 0.00 H new ATOM 99 N ARG A 11 15.459 -1.302 0.584 1.00 0.00 N ATOM 100 CA ARG A 11 15.350 -0.030 -0.120 1.00 0.00 C ATOM 101 C ARG A 11 15.608 1.139 0.826 1.00 0.00 C ATOM 102 O ARG A 11 15.531 1.010 2.048 1.00 0.00 O ATOM 103 CB ARG A 11 13.964 0.110 -0.754 1.00 0.00 C ATOM 104 CG ARG A 11 13.881 -0.449 -2.165 1.00 0.00 C ATOM 105 CD ARG A 11 13.606 -1.945 -2.156 1.00 0.00 C ATOM 106 NE ARG A 11 13.538 -2.496 -3.507 1.00 0.00 N ATOM 107 CZ ARG A 11 13.191 -3.751 -3.772 1.00 0.00 C ATOM 108 NH1 ARG A 11 12.882 -4.579 -2.784 1.00 0.00 N ATOM 109 NH2 ARG A 11 13.153 -4.179 -5.027 1.00 0.00 N ATOM 0 H ARG A 11 14.989 -1.325 1.489 1.00 0.00 H new ATOM 0 HA ARG A 11 16.105 -0.013 -0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.233 -0.400 -0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.687 1.164 -0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.092 0.064 -2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.815 -0.253 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.390 -2.455 -1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.667 -2.138 -1.638 1.00 0.00 H new ATOM 0 HE ARG A 11 13.769 -1.884 -4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.910 -4.253 -1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.616 -5.542 -2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.390 -3.545 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.887 -5.143 -5.229 1.00 0.00 H new ATOM 123 N PRO A 12 15.923 2.309 0.250 1.00 0.00 N ATOM 124 CA PRO A 12 16.199 3.523 1.023 1.00 0.00 C ATOM 125 C PRO A 12 14.949 4.079 1.695 1.00 0.00 C ATOM 126 O PRO A 12 15.001 4.557 2.829 1.00 0.00 O ATOM 127 CB PRO A 12 16.721 4.504 -0.031 1.00 0.00 C ATOM 128 CG PRO A 12 16.127 4.033 -1.313 1.00 0.00 C ATOM 129 CD PRO A 12 16.033 2.536 -1.201 1.00 0.00 C ATOM 0 HA PRO A 12 16.900 3.337 1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 12 16.417 5.526 0.194 1.00 0.00 H new ATOM 0 HB3 PRO A 12 17.810 4.497 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 12 15.143 4.475 -1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 12 16.748 4.323 -2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 12 15.167 2.147 -1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 12 16.912 2.046 -1.619 1.00 0.00 H new ATOM 137 N PHE A 13 13.824 4.014 0.990 1.00 0.00 N ATOM 138 CA PHE A 13 12.560 4.511 1.519 1.00 0.00 C ATOM 139 C PHE A 13 11.580 3.365 1.755 1.00 0.00 C ATOM 140 O PHE A 13 11.717 2.287 1.176 1.00 0.00 O ATOM 141 CB PHE A 13 11.947 5.532 0.558 1.00 0.00 C ATOM 142 CG PHE A 13 12.666 6.850 0.544 1.00 0.00 C ATOM 143 CD1 PHE A 13 13.946 6.951 0.024 1.00 0.00 C ATOM 144 CD2 PHE A 13 12.062 7.989 1.052 1.00 0.00 C ATOM 145 CE1 PHE A 13 14.611 8.163 0.010 1.00 0.00 C ATOM 146 CE2 PHE A 13 12.721 9.204 1.041 1.00 0.00 C ATOM 147 CZ PHE A 13 13.998 9.291 0.520 1.00 0.00 C ATOM 0 H PHE A 13 13.763 3.622 0.050 1.00 0.00 H new ATOM 0 HA PHE A 13 12.760 4.996 2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.948 5.116 -0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 13 10.906 5.698 0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 13 14.430 6.072 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.065 7.927 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 13 15.608 8.228 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 13 12.238 10.084 1.439 1.00 0.00 H new ATOM 0 HZ PHE A 13 14.516 10.239 0.512 1.00 0.00 H new ATOM 157 N LYS A 14 10.592 3.606 2.610 1.00 0.00 N ATOM 158 CA LYS A 14 9.588 2.597 2.923 1.00 0.00 C ATOM 159 C LYS A 14 8.288 3.247 3.386 1.00 0.00 C ATOM 160 O LYS A 14 8.298 4.332 3.969 1.00 0.00 O ATOM 161 CB LYS A 14 10.109 1.648 4.006 1.00 0.00 C ATOM 162 CG LYS A 14 9.213 0.445 4.243 1.00 0.00 C ATOM 163 CD LYS A 14 9.473 -0.184 5.602 1.00 0.00 C ATOM 164 CE LYS A 14 8.551 -1.367 5.853 1.00 0.00 C ATOM 165 NZ LYS A 14 8.935 -2.553 5.038 1.00 0.00 N ATOM 0 H LYS A 14 10.465 4.492 3.099 1.00 0.00 H new ATOM 0 HA LYS A 14 9.386 2.028 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.103 1.300 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.217 2.200 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.168 0.749 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.381 -0.295 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.511 -0.511 5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.330 0.563 6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.577 -1.629 6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.525 -1.083 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.303 -3.348 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.853 -2.321 4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.917 -2.819 5.254 1.00 0.00 H new ATOM 179 N CYS A 15 7.171 2.578 3.124 1.00 0.00 N ATOM 180 CA CYS A 15 5.863 3.090 3.514 1.00 0.00 C ATOM 181 C CYS A 15 5.434 2.517 4.862 1.00 0.00 C ATOM 182 O CYS A 15 5.628 1.333 5.134 1.00 0.00 O ATOM 183 CB CYS A 15 4.820 2.749 2.448 1.00 0.00 C ATOM 184 SG CYS A 15 3.096 2.950 3.002 1.00 0.00 S ATOM 0 H CYS A 15 7.145 1.679 2.643 1.00 0.00 H new ATOM 0 HA CYS A 15 5.938 4.173 3.607 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.986 3.382 1.577 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.969 1.718 2.126 1.00 0.00 H new ATOM 189 N ASN A 16 4.850 3.366 5.701 1.00 0.00 N ATOM 190 CA ASN A 16 4.394 2.945 7.020 1.00 0.00 C ATOM 191 C ASN A 16 2.931 2.514 6.979 1.00 0.00 C ATOM 192 O ASN A 16 2.472 1.757 7.833 1.00 0.00 O ATOM 193 CB ASN A 16 4.575 4.079 8.032 1.00 0.00 C ATOM 194 CG ASN A 16 6.015 4.546 8.125 1.00 0.00 C ATOM 195 OD1 ASN A 16 6.768 4.470 7.154 1.00 0.00 O ATOM 196 ND2 ASN A 16 6.404 5.032 9.298 1.00 0.00 N ATOM 0 H ASN A 16 4.681 4.350 5.491 1.00 0.00 H new ATOM 0 HA ASN A 16 4.997 2.091 7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.941 4.919 7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.241 3.743 9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.361 5.361 9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.745 5.076 10.076 1.00 0.00 H new ATOM 203 N GLU A 17 2.204 3.003 5.978 1.00 0.00 N ATOM 204 CA GLU A 17 0.793 2.669 5.826 1.00 0.00 C ATOM 205 C GLU A 17 0.602 1.160 5.698 1.00 0.00 C ATOM 206 O GLU A 17 -0.155 0.552 6.456 1.00 0.00 O ATOM 207 CB GLU A 17 0.209 3.373 4.599 1.00 0.00 C ATOM 208 CG GLU A 17 0.516 4.860 4.548 1.00 0.00 C ATOM 209 CD GLU A 17 -0.405 5.677 5.433 1.00 0.00 C ATOM 210 OE1 GLU A 17 -1.516 5.195 5.737 1.00 0.00 O ATOM 211 OE2 GLU A 17 -0.015 6.797 5.823 1.00 0.00 O ATOM 0 H GLU A 17 2.569 3.631 5.262 1.00 0.00 H new ATOM 0 HA GLU A 17 0.267 3.011 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.599 2.899 3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.872 3.233 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.549 5.025 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.430 5.210 3.519 1.00 0.00 H new ATOM 218 N CYS A 18 1.293 0.561 4.734 1.00 0.00 N ATOM 219 CA CYS A 18 1.200 -0.875 4.505 1.00 0.00 C ATOM 220 C CYS A 18 2.569 -1.537 4.639 1.00 0.00 C ATOM 221 O CYS A 18 2.698 -2.605 5.237 1.00 0.00 O ATOM 222 CB CYS A 18 0.620 -1.155 3.117 1.00 0.00 C ATOM 223 SG CYS A 18 1.628 -0.506 1.745 1.00 0.00 S ATOM 0 H CYS A 18 1.924 1.049 4.098 1.00 0.00 H new ATOM 0 HA CYS A 18 0.536 -1.296 5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.507 -2.232 2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.378 -0.721 3.058 1.00 0.00 H new ATOM 228 N GLY A 19 3.589 -0.894 4.078 1.00 0.00 N ATOM 229 CA GLY A 19 4.934 -1.435 4.146 1.00 0.00 C ATOM 230 C GLY A 19 5.593 -1.523 2.784 1.00 0.00 C ATOM 231 O GLY A 19 6.508 -2.321 2.579 1.00 0.00 O ATOM 0 H GLY A 19 3.508 -0.009 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.541 -0.809 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.901 -2.428 4.595 1.00 0.00 H new ATOM 235 N LYS A 20 5.127 -0.702 1.849 1.00 0.00 N ATOM 236 CA LYS A 20 5.675 -0.690 0.498 1.00 0.00 C ATOM 237 C LYS A 20 7.117 -0.192 0.501 1.00 0.00 C ATOM 238 O LYS A 20 7.575 0.408 1.473 1.00 0.00 O ATOM 239 CB LYS A 20 4.821 0.193 -0.414 1.00 0.00 C ATOM 240 CG LYS A 20 5.181 0.076 -1.885 1.00 0.00 C ATOM 241 CD LYS A 20 5.011 -1.348 -2.388 1.00 0.00 C ATOM 242 CE LYS A 20 5.298 -1.450 -3.879 1.00 0.00 C ATOM 243 NZ LYS A 20 6.731 -1.187 -4.187 1.00 0.00 N ATOM 0 H LYS A 20 4.370 -0.036 2.002 1.00 0.00 H new ATOM 0 HA LYS A 20 5.662 -1.712 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.772 -0.072 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.929 1.232 -0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.551 0.747 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.212 0.395 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.682 -2.011 -1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.995 -1.687 -2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.027 -2.444 -4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.674 -0.738 -4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.804 -0.380 -4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.241 -0.969 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.151 -2.029 -4.631 1.00 0.00 H new ATOM 257 N GLY A 21 7.828 -0.445 -0.594 1.00 0.00 N ATOM 258 CA GLY A 21 9.210 -0.014 -0.696 1.00 0.00 C ATOM 259 C GLY A 21 9.570 0.450 -2.094 1.00 0.00 C ATOM 260 O GLY A 21 9.143 -0.146 -3.083 1.00 0.00 O ATOM 0 H GLY A 21 7.472 -0.940 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.388 0.797 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.866 -0.836 -0.409 1.00 0.00 H new ATOM 264 N PHE A 22 10.357 1.518 -2.176 1.00 0.00 N ATOM 265 CA PHE A 22 10.772 2.064 -3.463 1.00 0.00 C ATOM 266 C PHE A 22 12.244 2.468 -3.433 1.00 0.00 C ATOM 267 O PHE A 22 12.867 2.506 -2.373 1.00 0.00 O ATOM 268 CB PHE A 22 9.908 3.271 -3.832 1.00 0.00 C ATOM 269 CG PHE A 22 8.441 2.956 -3.912 1.00 0.00 C ATOM 270 CD1 PHE A 22 7.672 2.877 -2.762 1.00 0.00 C ATOM 271 CD2 PHE A 22 7.832 2.739 -5.137 1.00 0.00 C ATOM 272 CE1 PHE A 22 6.323 2.586 -2.833 1.00 0.00 C ATOM 273 CE2 PHE A 22 6.482 2.448 -5.214 1.00 0.00 C ATOM 274 CZ PHE A 22 5.727 2.373 -4.060 1.00 0.00 C ATOM 0 H PHE A 22 10.720 2.022 -1.367 1.00 0.00 H new ATOM 0 HA PHE A 22 10.641 1.288 -4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.063 4.058 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.240 3.665 -4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.132 3.045 -1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.418 2.798 -6.042 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.735 2.525 -1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.019 2.280 -6.175 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.672 2.148 -4.117 1.00 0.00 H new ATOM 284 N GLY A 23 12.792 2.769 -4.606 1.00 0.00 N ATOM 285 CA GLY A 23 14.186 3.166 -4.693 1.00 0.00 C ATOM 286 C GLY A 23 14.383 4.649 -4.449 1.00 0.00 C ATOM 287 O GLY A 23 15.241 5.047 -3.660 1.00 0.00 O ATOM 0 H GLY A 23 12.296 2.745 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.768 2.601 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.573 2.909 -5.679 1.00 0.00 H new ATOM 291 N ARG A 24 13.587 5.470 -5.127 1.00 0.00 N ATOM 292 CA ARG A 24 13.681 6.917 -4.982 1.00 0.00 C ATOM 293 C ARG A 24 12.592 7.441 -4.050 1.00 0.00 C ATOM 294 O ARG A 24 11.631 6.736 -3.744 1.00 0.00 O ATOM 295 CB ARG A 24 13.567 7.597 -6.348 1.00 0.00 C ATOM 296 CG ARG A 24 14.499 7.013 -7.398 1.00 0.00 C ATOM 297 CD ARG A 24 15.933 7.477 -7.189 1.00 0.00 C ATOM 298 NE ARG A 24 16.741 7.315 -8.395 1.00 0.00 N ATOM 299 CZ ARG A 24 16.550 8.015 -9.507 1.00 0.00 C ATOM 300 NH1 ARG A 24 15.584 8.921 -9.567 1.00 0.00 N ATOM 301 NH2 ARG A 24 17.328 7.811 -10.563 1.00 0.00 N ATOM 0 H ARG A 24 12.870 5.157 -5.782 1.00 0.00 H new ATOM 0 HA ARG A 24 14.653 7.151 -4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.539 7.515 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.781 8.660 -6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.458 5.925 -7.358 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.161 7.308 -8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.935 8.525 -6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.382 6.911 -6.373 1.00 0.00 H new ATOM 0 HE ARG A 24 17.493 6.626 -8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.985 9.082 -8.757 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.440 9.457 -10.423 1.00 0.00 H new ATOM 0 HH21 ARG A 24 18.073 7.116 -10.521 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.180 8.349 -11.417 1.00 0.00 H new ATOM 315 N ARG A 25 12.751 8.682 -3.602 1.00 0.00 N ATOM 316 CA ARG A 25 11.784 9.300 -2.703 1.00 0.00 C ATOM 317 C ARG A 25 10.464 9.563 -3.423 1.00 0.00 C ATOM 318 O ARG A 25 9.438 8.967 -3.096 1.00 0.00 O ATOM 319 CB ARG A 25 12.341 10.609 -2.141 1.00 0.00 C ATOM 320 CG ARG A 25 11.269 11.635 -1.810 1.00 0.00 C ATOM 321 CD ARG A 25 10.208 11.054 -0.888 1.00 0.00 C ATOM 322 NE ARG A 25 9.573 12.082 -0.068 1.00 0.00 N ATOM 323 CZ ARG A 25 8.971 11.831 1.089 1.00 0.00 C ATOM 324 NH1 ARG A 25 8.924 10.593 1.561 1.00 0.00 N ATOM 325 NH2 ARG A 25 8.416 12.820 1.778 1.00 0.00 N ATOM 0 H ARG A 25 13.541 9.279 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 25 11.598 8.610 -1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.915 10.393 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.033 11.040 -2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.728 12.503 -1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.801 11.984 -2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.450 10.545 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.662 10.303 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 25 9.593 13.046 -0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.351 9.830 1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.461 10.403 2.450 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.451 13.774 1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.954 12.626 2.666 1.00 0.00 H new ATOM 339 N SER A 26 10.499 10.460 -4.403 1.00 0.00 N ATOM 340 CA SER A 26 9.306 10.805 -5.166 1.00 0.00 C ATOM 341 C SER A 26 8.559 9.549 -5.605 1.00 0.00 C ATOM 342 O SER A 26 7.332 9.548 -5.712 1.00 0.00 O ATOM 343 CB SER A 26 9.682 11.643 -6.390 1.00 0.00 C ATOM 344 OG SER A 26 8.651 11.616 -7.363 1.00 0.00 O ATOM 0 H SER A 26 11.341 10.961 -4.687 1.00 0.00 H new ATOM 0 HA SER A 26 8.650 11.390 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.872 12.672 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.607 11.263 -6.825 1.00 0.00 H new ATOM 0 HG SER A 26 8.915 12.160 -8.134 1.00 0.00 H new ATOM 350 N HIS A 27 9.308 8.481 -5.858 1.00 0.00 N ATOM 351 CA HIS A 27 8.718 7.217 -6.285 1.00 0.00 C ATOM 352 C HIS A 27 7.751 6.686 -5.231 1.00 0.00 C ATOM 353 O HIS A 27 6.704 6.126 -5.560 1.00 0.00 O ATOM 354 CB HIS A 27 9.813 6.185 -6.555 1.00 0.00 C ATOM 355 CG HIS A 27 10.567 6.430 -7.826 1.00 0.00 C ATOM 356 ND1 HIS A 27 11.781 5.840 -8.106 1.00 0.00 N ATOM 357 CD2 HIS A 27 10.272 7.207 -8.894 1.00 0.00 C ATOM 358 CE1 HIS A 27 12.201 6.244 -9.292 1.00 0.00 C ATOM 359 NE2 HIS A 27 11.303 7.074 -9.792 1.00 0.00 N ATOM 0 H HIS A 27 10.324 8.465 -5.775 1.00 0.00 H new ATOM 0 HA HIS A 27 8.162 7.396 -7.206 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.514 6.185 -5.721 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.364 5.193 -6.594 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.390 7.818 -9.017 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.122 5.946 -9.771 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.365 7.540 -10.697 1.00 0.00 H new ATOM 367 N LEU A 28 8.107 6.865 -3.964 1.00 0.00 N ATOM 368 CA LEU A 28 7.271 6.403 -2.862 1.00 0.00 C ATOM 369 C LEU A 28 6.179 7.420 -2.543 1.00 0.00 C ATOM 370 O LEU A 28 5.010 7.065 -2.400 1.00 0.00 O ATOM 371 CB LEU A 28 8.126 6.149 -1.619 1.00 0.00 C ATOM 372 CG LEU A 28 7.381 6.135 -0.283 1.00 0.00 C ATOM 373 CD1 LEU A 28 6.500 4.900 -0.177 1.00 0.00 C ATOM 374 CD2 LEU A 28 8.364 6.193 0.877 1.00 0.00 C ATOM 0 H LEU A 28 8.969 7.327 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 28 6.796 5.470 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.632 5.191 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.900 6.915 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 28 6.742 7.017 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.978 4.907 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.772 4.902 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.118 4.005 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.816 6.182 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.029 5.330 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.952 7.108 0.810 1.00 0.00 H new ATOM 386 N ALA A 29 6.570 8.686 -2.436 1.00 0.00 N ATOM 387 CA ALA A 29 5.624 9.754 -2.139 1.00 0.00 C ATOM 388 C ALA A 29 4.284 9.507 -2.824 1.00 0.00 C ATOM 389 O ALA A 29 3.226 9.721 -2.234 1.00 0.00 O ATOM 390 CB ALA A 29 6.196 11.099 -2.564 1.00 0.00 C ATOM 0 H ALA A 29 7.535 8.996 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 29 5.455 9.767 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.479 11.888 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.125 11.286 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.395 11.088 -3.636 1.00 0.00 H new ATOM 396 N GLY A 30 4.338 9.057 -4.074 1.00 0.00 N ATOM 397 CA GLY A 30 3.121 8.789 -4.818 1.00 0.00 C ATOM 398 C GLY A 30 2.362 7.594 -4.279 1.00 0.00 C ATOM 399 O GLY A 30 1.130 7.586 -4.263 1.00 0.00 O ATOM 0 H GLY A 30 5.202 8.873 -4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.478 9.669 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.370 8.615 -5.865 1.00 0.00 H new ATOM 403 N HIS A 31 3.097 6.578 -3.836 1.00 0.00 N ATOM 404 CA HIS A 31 2.484 5.371 -3.293 1.00 0.00 C ATOM 405 C HIS A 31 1.560 5.707 -2.127 1.00 0.00 C ATOM 406 O HIS A 31 0.672 4.928 -1.781 1.00 0.00 O ATOM 407 CB HIS A 31 3.563 4.387 -2.838 1.00 0.00 C ATOM 408 CG HIS A 31 3.020 3.202 -2.101 1.00 0.00 C ATOM 409 ND1 HIS A 31 2.522 2.084 -2.737 1.00 0.00 N ATOM 410 CD2 HIS A 31 2.900 2.963 -0.774 1.00 0.00 C ATOM 411 CE1 HIS A 31 2.117 1.210 -1.833 1.00 0.00 C ATOM 412 NE2 HIS A 31 2.336 1.719 -0.634 1.00 0.00 N ATOM 0 H HIS A 31 4.117 6.567 -3.843 1.00 0.00 H new ATOM 0 HA HIS A 31 1.890 4.909 -4.081 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.117 4.040 -3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.273 4.910 -2.197 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.474 1.953 -3.747 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.193 3.627 0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.681 0.244 -2.039 1.00 0.00 H new ATOM 420 N LEU A 32 1.776 6.871 -1.524 1.00 0.00 N ATOM 421 CA LEU A 32 0.963 7.310 -0.395 1.00 0.00 C ATOM 422 C LEU A 32 -0.232 8.129 -0.871 1.00 0.00 C ATOM 423 O LEU A 32 -1.265 8.186 -0.203 1.00 0.00 O ATOM 424 CB LEU A 32 1.808 8.137 0.576 1.00 0.00 C ATOM 425 CG LEU A 32 3.004 7.419 1.203 1.00 0.00 C ATOM 426 CD1 LEU A 32 2.733 5.928 1.317 1.00 0.00 C ATOM 427 CD2 LEU A 32 4.264 7.673 0.387 1.00 0.00 C ATOM 0 H LEU A 32 2.507 7.528 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 32 0.591 6.424 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.174 9.018 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.161 8.492 1.378 1.00 0.00 H new ATOM 0 HG LEU A 32 3.157 7.816 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.595 5.435 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.856 5.764 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.553 5.514 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.106 7.155 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.121 7.303 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.469 8.743 0.357 1.00 0.00 H new ATOM 439 N ARG A 33 -0.085 8.761 -2.031 1.00 0.00 N ATOM 440 CA ARG A 33 -1.153 9.577 -2.597 1.00 0.00 C ATOM 441 C ARG A 33 -2.439 8.767 -2.737 1.00 0.00 C ATOM 442 O ARG A 33 -3.540 9.304 -2.606 1.00 0.00 O ATOM 443 CB ARG A 33 -0.734 10.128 -3.961 1.00 0.00 C ATOM 444 CG ARG A 33 -0.003 11.458 -3.882 1.00 0.00 C ATOM 445 CD ARG A 33 0.035 12.154 -5.234 1.00 0.00 C ATOM 446 NE ARG A 33 -1.120 13.025 -5.434 1.00 0.00 N ATOM 447 CZ ARG A 33 -1.572 13.383 -6.631 1.00 0.00 C ATOM 448 NH1 ARG A 33 -0.970 12.947 -7.728 1.00 0.00 N ATOM 449 NH2 ARG A 33 -2.630 14.179 -6.731 1.00 0.00 N ATOM 0 H ARG A 33 0.763 8.724 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.340 10.409 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.092 9.399 -4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.621 10.247 -4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -0.495 12.102 -3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.014 11.295 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.950 12.741 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.066 11.406 -6.026 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.606 13.378 -4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.157 12.335 -7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.319 13.223 -8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.096 14.516 -5.889 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.977 14.454 -7.650 1.00 0.00 H new ATOM 463 N LEU A 34 -2.292 7.474 -3.004 1.00 0.00 N ATOM 464 CA LEU A 34 -3.442 6.590 -3.162 1.00 0.00 C ATOM 465 C LEU A 34 -3.995 6.169 -1.804 1.00 0.00 C ATOM 466 O LEU A 34 -5.142 5.732 -1.698 1.00 0.00 O ATOM 467 CB LEU A 34 -3.051 5.354 -3.973 1.00 0.00 C ATOM 468 CG LEU A 34 -1.931 4.494 -3.387 1.00 0.00 C ATOM 469 CD1 LEU A 34 -2.477 3.562 -2.316 1.00 0.00 C ATOM 470 CD2 LEU A 34 -1.239 3.699 -4.486 1.00 0.00 C ATOM 0 H LEU A 34 -1.388 7.014 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.220 7.136 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.936 4.729 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.750 5.678 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.197 5.154 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.665 2.958 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.926 4.151 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.232 2.909 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.445 3.092 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.964 3.050 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.812 4.385 -5.218 1.00 0.00 H new ATOM 482 N HIS A 35 -3.174 6.304 -0.768 1.00 0.00 N ATOM 483 CA HIS A 35 -3.582 5.939 0.584 1.00 0.00 C ATOM 484 C HIS A 35 -4.543 6.975 1.159 1.00 0.00 C ATOM 485 O HIS A 35 -5.304 6.685 2.082 1.00 0.00 O ATOM 486 CB HIS A 35 -2.358 5.803 1.490 1.00 0.00 C ATOM 487 CG HIS A 35 -1.782 4.421 1.516 1.00 0.00 C ATOM 488 ND1 HIS A 35 -2.499 3.315 1.921 1.00 0.00 N ATOM 489 CD2 HIS A 35 -0.551 3.968 1.182 1.00 0.00 C ATOM 490 CE1 HIS A 35 -1.733 2.242 1.837 1.00 0.00 C ATOM 491 NE2 HIS A 35 -0.546 2.611 1.391 1.00 0.00 N ATOM 0 H HIS A 35 -2.222 6.663 -0.839 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.096 4.979 0.535 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.590 6.501 1.157 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.633 6.092 2.504 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -3.469 3.324 2.236 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.274 4.563 0.819 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.027 1.234 2.090 1.00 0.00 H new ATOM 499 N SER A 36 -4.501 8.184 0.608 1.00 0.00 N ATOM 500 CA SER A 36 -5.365 9.265 1.070 1.00 0.00 C ATOM 501 C SER A 36 -6.682 9.275 0.299 1.00 0.00 C ATOM 502 O SER A 36 -7.760 9.206 0.889 1.00 0.00 O ATOM 503 CB SER A 36 -4.659 10.613 0.913 1.00 0.00 C ATOM 504 OG SER A 36 -3.738 10.832 1.967 1.00 0.00 O ATOM 0 H SER A 36 -3.878 8.440 -0.158 1.00 0.00 H new ATOM 0 HA SER A 36 -5.583 9.098 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.136 10.644 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.398 11.414 0.899 1.00 0.00 H new ATOM 0 HG SER A 36 -3.299 11.699 1.843 1.00 0.00 H new ATOM 510 N ARG A 37 -6.585 9.361 -1.024 1.00 0.00 N ATOM 511 CA ARG A 37 -7.767 9.381 -1.877 1.00 0.00 C ATOM 512 C ARG A 37 -8.872 8.504 -1.295 1.00 0.00 C ATOM 513 O ARG A 37 -10.055 8.820 -1.414 1.00 0.00 O ATOM 514 CB ARG A 37 -7.413 8.906 -3.287 1.00 0.00 C ATOM 515 CG ARG A 37 -7.082 7.425 -3.366 1.00 0.00 C ATOM 516 CD ARG A 37 -7.160 6.911 -4.795 1.00 0.00 C ATOM 517 NE ARG A 37 -8.540 6.789 -5.258 1.00 0.00 N ATOM 518 CZ ARG A 37 -8.916 5.980 -6.242 1.00 0.00 C ATOM 519 NH1 ARG A 37 -8.020 5.226 -6.863 1.00 0.00 N ATOM 520 NH2 ARG A 37 -10.191 5.924 -6.606 1.00 0.00 N ATOM 0 H ARG A 37 -5.700 9.418 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.130 10.407 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.249 9.119 -3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.561 9.480 -3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.081 7.254 -2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.773 6.863 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.615 7.587 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.669 5.940 -4.858 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.254 7.356 -4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.039 5.266 -6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.311 4.606 -7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.883 6.503 -6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.479 5.302 -7.362 1.00 0.00 H new ATOM 534 N GLU A 38 -8.476 7.401 -0.668 1.00 0.00 N ATOM 535 CA GLU A 38 -9.434 6.477 -0.070 1.00 0.00 C ATOM 536 C GLU A 38 -8.983 6.054 1.325 1.00 0.00 C ATOM 537 O GLU A 38 -8.169 5.143 1.477 1.00 0.00 O ATOM 538 CB GLU A 38 -9.609 5.244 -0.958 1.00 0.00 C ATOM 539 CG GLU A 38 -10.968 4.579 -0.814 1.00 0.00 C ATOM 540 CD GLU A 38 -12.115 5.529 -1.097 1.00 0.00 C ATOM 541 OE1 GLU A 38 -12.183 6.055 -2.228 1.00 0.00 O ATOM 542 OE2 GLU A 38 -12.944 5.746 -0.189 1.00 0.00 O ATOM 0 H GLU A 38 -7.500 7.125 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.391 6.991 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.463 5.533 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.832 4.519 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.027 3.731 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.070 4.184 0.197 1.00 0.00 H new ATOM 549 N LYS A 39 -9.517 6.723 2.341 1.00 0.00 N ATOM 550 CA LYS A 39 -9.171 6.417 3.725 1.00 0.00 C ATOM 551 C LYS A 39 -10.347 5.769 4.448 1.00 0.00 C ATOM 552 O LYS A 39 -11.435 5.633 3.888 1.00 0.00 O ATOM 553 CB LYS A 39 -8.746 7.691 4.459 1.00 0.00 C ATOM 554 CG LYS A 39 -7.288 8.058 4.246 1.00 0.00 C ATOM 555 CD LYS A 39 -6.709 8.770 5.457 1.00 0.00 C ATOM 556 CE LYS A 39 -6.097 7.787 6.443 1.00 0.00 C ATOM 557 NZ LYS A 39 -4.882 7.128 5.887 1.00 0.00 N ATOM 0 H LYS A 39 -10.191 7.481 2.233 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.338 5.714 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.373 8.518 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.928 7.563 5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.711 7.156 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.198 8.698 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.950 9.482 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.493 9.343 5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.838 8.310 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.834 7.028 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.277 6.801 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.164 6.315 5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.356 7.808 5.302 1.00 0.00 H new ATOM 571 N SER A 40 -10.122 5.372 5.697 1.00 0.00 N ATOM 572 CA SER A 40 -11.162 4.736 6.496 1.00 0.00 C ATOM 573 C SER A 40 -12.531 5.330 6.178 1.00 0.00 C ATOM 574 O SER A 40 -13.450 4.619 5.774 1.00 0.00 O ATOM 575 CB SER A 40 -10.858 4.896 7.987 1.00 0.00 C ATOM 576 OG SER A 40 -9.584 4.365 8.307 1.00 0.00 O ATOM 0 H SER A 40 -9.228 5.480 6.177 1.00 0.00 H new ATOM 0 HA SER A 40 -11.179 3.675 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.894 5.951 8.258 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.624 4.390 8.574 1.00 0.00 H new ATOM 0 HG SER A 40 -9.412 4.481 9.265 1.00 0.00 H new ATOM 582 N SER A 41 -12.658 6.640 6.365 1.00 0.00 N ATOM 583 CA SER A 41 -13.915 7.331 6.102 1.00 0.00 C ATOM 584 C SER A 41 -13.755 8.337 4.967 1.00 0.00 C ATOM 585 O SER A 41 -14.230 9.469 5.053 1.00 0.00 O ATOM 586 CB SER A 41 -14.404 8.043 7.365 1.00 0.00 C ATOM 587 OG SER A 41 -15.699 8.587 7.175 1.00 0.00 O ATOM 0 H SER A 41 -11.906 7.244 6.697 1.00 0.00 H new ATOM 0 HA SER A 41 -14.654 6.588 5.803 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.420 7.341 8.199 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.707 8.838 7.631 1.00 0.00 H new ATOM 0 HG SER A 41 -15.681 9.221 6.428 1.00 0.00 H new ATOM 593 N GLY A 42 -13.081 7.916 3.901 1.00 0.00 N ATOM 594 CA GLY A 42 -12.869 8.791 2.763 1.00 0.00 C ATOM 595 C GLY A 42 -14.170 9.263 2.144 1.00 0.00 C ATOM 596 O GLY A 42 -15.182 9.430 2.826 1.00 0.00 O ATOM 0 H GLY A 42 -12.678 6.984 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.285 9.656 3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.281 8.266 2.010 1.00 0.00 H new ATOM 600 N PRO A 43 -14.154 9.488 0.822 1.00 0.00 N ATOM 601 CA PRO A 43 -15.333 9.948 0.083 1.00 0.00 C ATOM 602 C PRO A 43 -16.412 8.875 -0.014 1.00 0.00 C ATOM 603 O PRO A 43 -16.260 7.778 0.524 1.00 0.00 O ATOM 604 CB PRO A 43 -14.776 10.274 -1.305 1.00 0.00 C ATOM 605 CG PRO A 43 -13.562 9.422 -1.436 1.00 0.00 C ATOM 606 CD PRO A 43 -12.983 9.310 -0.053 1.00 0.00 C ATOM 0 HA PRO A 43 -15.817 10.793 0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.503 10.050 -2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.529 11.332 -1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.816 8.439 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.844 9.868 -2.124 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.506 8.343 0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.226 10.073 0.129 1.00 0.00 H new ATOM 614 N SER A 44 -17.501 9.198 -0.704 1.00 0.00 N ATOM 615 CA SER A 44 -18.607 8.262 -0.868 1.00 0.00 C ATOM 616 C SER A 44 -18.091 6.862 -1.185 1.00 0.00 C ATOM 617 O SER A 44 -17.397 6.655 -2.181 1.00 0.00 O ATOM 618 CB SER A 44 -19.543 8.737 -1.981 1.00 0.00 C ATOM 619 OG SER A 44 -18.857 8.840 -3.216 1.00 0.00 O ATOM 0 H SER A 44 -17.641 10.100 -1.158 1.00 0.00 H new ATOM 0 HA SER A 44 -19.160 8.223 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 44 -20.376 8.041 -2.081 1.00 0.00 H new ATOM 0 HB3 SER A 44 -19.967 9.705 -1.715 1.00 0.00 H new ATOM 0 HG SER A 44 -18.100 8.218 -3.222 1.00 0.00 H new ATOM 625 N SER A 45 -18.435 5.904 -0.331 1.00 0.00 N ATOM 626 CA SER A 45 -18.004 4.523 -0.517 1.00 0.00 C ATOM 627 C SER A 45 -19.034 3.736 -1.323 1.00 0.00 C ATOM 628 O SER A 45 -20.104 4.247 -1.651 1.00 0.00 O ATOM 629 CB SER A 45 -17.779 3.850 0.839 1.00 0.00 C ATOM 630 OG SER A 45 -16.853 4.581 1.623 1.00 0.00 O ATOM 0 H SER A 45 -19.011 6.058 0.497 1.00 0.00 H new ATOM 0 HA SER A 45 -17.065 4.533 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 45 -18.727 3.770 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.411 2.835 0.688 1.00 0.00 H new ATOM 0 HG SER A 45 -16.728 4.132 2.485 1.00 0.00 H new ATOM 636 N GLY A 46 -18.700 2.489 -1.639 1.00 0.00 N ATOM 637 CA GLY A 46 -19.605 1.650 -2.405 1.00 0.00 C ATOM 638 C GLY A 46 -19.170 0.199 -2.429 1.00 0.00 C ATOM 639 O GLY A 46 -19.929 -0.646 -2.901 1.00 0.00 O ATOM 0 H GLY A 46 -17.820 2.044 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -20.606 1.719 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -19.666 2.025 -3.427 1.00 0.00 H new TER 643 GLY A 46 HETATM 644 ZN ZN A 201 1.634 1.818 1.585 1.00 0.00 ZN