USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 355 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -7:sc= 0.682 USER MOD Single : A 21 ASN : amide:sc= -3.03 K(o=-3,f=-6.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -100:sc= 1.45 (180deg=-0.181) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -0.104 (180deg=-0.612) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.45! C(o=-2.4!,f=-2.3!) USER MOD Single : A 48 SER OG : rot 46:sc= 1.21 USER MOD Single : A 51 SER OG : rot 180:sc=0.000481 USER MOD Single : A 52 SER OG : rot -57:sc= 0.0273 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.967 -33.173 2.722 1.00 0.00 N ATOM 2 CA GLY A 1 -11.773 -31.785 2.346 1.00 0.00 C ATOM 3 C GLY A 1 -10.407 -31.263 2.744 1.00 0.00 C ATOM 4 O GLY A 1 -9.436 -31.414 2.003 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.915 -33.483 2.428 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.250 -33.763 2.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.875 -33.269 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.898 -31.683 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.543 -31.173 2.816 1.00 0.00 H new ATOM 8 N SER A 2 -10.331 -30.644 3.918 1.00 0.00 N ATOM 9 CA SER A 2 -9.075 -30.092 4.412 1.00 0.00 C ATOM 10 C SER A 2 -8.461 -31.001 5.472 1.00 0.00 C ATOM 11 O SER A 2 -9.170 -31.724 6.171 1.00 0.00 O ATOM 12 CB SER A 2 -9.301 -28.694 4.991 1.00 0.00 C ATOM 13 OG SER A 2 -10.053 -28.754 6.190 1.00 0.00 O ATOM 0 H SER A 2 -11.125 -30.512 4.545 1.00 0.00 H new ATOM 0 HA SER A 2 -8.382 -30.023 3.573 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.340 -28.217 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.823 -28.075 4.261 1.00 0.00 H new ATOM 0 HG SER A 2 -10.182 -27.848 6.541 1.00 0.00 H new ATOM 19 N SER A 3 -7.137 -30.958 5.584 1.00 0.00 N ATOM 20 CA SER A 3 -6.426 -31.781 6.556 1.00 0.00 C ATOM 21 C SER A 3 -6.529 -31.181 7.955 1.00 0.00 C ATOM 22 O SER A 3 -6.949 -31.848 8.899 1.00 0.00 O ATOM 23 CB SER A 3 -4.956 -31.922 6.157 1.00 0.00 C ATOM 24 OG SER A 3 -4.321 -32.947 6.902 1.00 0.00 O ATOM 0 H SER A 3 -6.536 -30.363 5.014 1.00 0.00 H new ATOM 0 HA SER A 3 -6.889 -32.768 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.885 -32.145 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.439 -30.976 6.320 1.00 0.00 H new ATOM 0 HG SER A 3 -3.383 -33.018 6.627 1.00 0.00 H new ATOM 30 N GLY A 4 -6.143 -29.914 8.079 1.00 0.00 N ATOM 31 CA GLY A 4 -6.199 -29.244 9.365 1.00 0.00 C ATOM 32 C GLY A 4 -6.058 -27.740 9.242 1.00 0.00 C ATOM 33 O GLY A 4 -6.146 -27.190 8.145 1.00 0.00 O ATOM 0 H GLY A 4 -5.793 -29.340 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.145 -29.478 9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.406 -29.629 10.006 1.00 0.00 H new ATOM 37 N SER A 5 -5.841 -27.073 10.371 1.00 0.00 N ATOM 38 CA SER A 5 -5.693 -25.623 10.386 1.00 0.00 C ATOM 39 C SER A 5 -4.325 -25.211 9.852 1.00 0.00 C ATOM 40 O SER A 5 -3.313 -25.339 10.541 1.00 0.00 O ATOM 41 CB SER A 5 -5.883 -25.084 11.805 1.00 0.00 C ATOM 42 OG SER A 5 -7.205 -25.309 12.263 1.00 0.00 O ATOM 0 H SER A 5 -5.764 -27.514 11.287 1.00 0.00 H new ATOM 0 HA SER A 5 -6.460 -25.198 9.738 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.174 -25.566 12.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.665 -24.016 11.824 1.00 0.00 H new ATOM 0 HG SER A 5 -7.300 -24.957 13.173 1.00 0.00 H new ATOM 48 N SER A 6 -4.302 -24.715 8.619 1.00 0.00 N ATOM 49 CA SER A 6 -3.058 -24.287 7.989 1.00 0.00 C ATOM 50 C SER A 6 -2.490 -23.056 8.690 1.00 0.00 C ATOM 51 O SER A 6 -1.308 -23.009 9.025 1.00 0.00 O ATOM 52 CB SER A 6 -3.289 -23.983 6.508 1.00 0.00 C ATOM 53 OG SER A 6 -2.166 -23.334 5.939 1.00 0.00 O ATOM 0 H SER A 6 -5.131 -24.599 8.036 1.00 0.00 H new ATOM 0 HA SER A 6 -2.337 -25.100 8.077 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.488 -24.910 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.172 -23.354 6.396 1.00 0.00 H new ATOM 0 HG SER A 6 -2.339 -23.152 4.992 1.00 0.00 H new ATOM 59 N GLY A 7 -3.344 -22.060 8.907 1.00 0.00 N ATOM 60 CA GLY A 7 -2.910 -20.842 9.566 1.00 0.00 C ATOM 61 C GLY A 7 -3.444 -19.595 8.889 1.00 0.00 C ATOM 62 O GLY A 7 -4.509 -19.623 8.272 1.00 0.00 O ATOM 0 H GLY A 7 -4.328 -22.075 8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.240 -20.857 10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.821 -20.807 9.578 1.00 0.00 H new ATOM 66 N ASP A 8 -2.705 -18.498 9.006 1.00 0.00 N ATOM 67 CA ASP A 8 -3.110 -17.234 8.401 1.00 0.00 C ATOM 68 C ASP A 8 -2.719 -17.187 6.928 1.00 0.00 C ATOM 69 O ASP A 8 -1.926 -18.004 6.460 1.00 0.00 O ATOM 70 CB ASP A 8 -2.476 -16.060 9.148 1.00 0.00 C ATOM 71 CG ASP A 8 -0.962 -16.087 9.090 1.00 0.00 C ATOM 72 OD1 ASP A 8 -0.362 -17.019 9.667 1.00 0.00 O ATOM 73 OD2 ASP A 8 -0.376 -15.177 8.467 1.00 0.00 O ATOM 0 H ASP A 8 -1.822 -18.458 9.514 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.195 -17.156 8.473 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.836 -15.124 8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.797 -16.080 10.189 1.00 0.00 H new ATOM 78 N GLU A 9 -3.282 -16.226 6.202 1.00 0.00 N ATOM 79 CA GLU A 9 -2.993 -16.075 4.780 1.00 0.00 C ATOM 80 C GLU A 9 -2.051 -14.898 4.539 1.00 0.00 C ATOM 81 O GLU A 9 -2.209 -13.831 5.131 1.00 0.00 O ATOM 82 CB GLU A 9 -4.289 -15.875 3.992 1.00 0.00 C ATOM 83 CG GLU A 9 -5.301 -16.990 4.191 1.00 0.00 C ATOM 84 CD GLU A 9 -4.685 -18.369 4.052 1.00 0.00 C ATOM 85 OE1 GLU A 9 -3.867 -18.562 3.129 1.00 0.00 O ATOM 86 OE2 GLU A 9 -5.020 -19.254 4.867 1.00 0.00 O ATOM 0 H GLU A 9 -3.940 -15.541 6.574 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.504 -16.986 4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.741 -14.928 4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.051 -15.797 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.751 -16.895 5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.105 -16.880 3.463 1.00 0.00 H new ATOM 93 N GLY A 10 -1.070 -15.102 3.665 1.00 0.00 N ATOM 94 CA GLY A 10 -0.117 -14.051 3.361 1.00 0.00 C ATOM 95 C GLY A 10 -0.285 -13.504 1.958 1.00 0.00 C ATOM 96 O GLY A 10 0.673 -13.445 1.188 1.00 0.00 O ATOM 0 H GLY A 10 -0.918 -15.976 3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.233 -13.240 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.895 -14.438 3.478 1.00 0.00 H new ATOM 100 N TYR A 11 -1.507 -13.104 1.624 1.00 0.00 N ATOM 101 CA TYR A 11 -1.799 -12.562 0.302 1.00 0.00 C ATOM 102 C TYR A 11 -2.898 -11.507 0.376 1.00 0.00 C ATOM 103 O TYR A 11 -3.761 -11.554 1.253 1.00 0.00 O ATOM 104 CB TYR A 11 -2.217 -13.684 -0.651 1.00 0.00 C ATOM 105 CG TYR A 11 -3.507 -14.365 -0.256 1.00 0.00 C ATOM 106 CD1 TYR A 11 -4.726 -13.706 -0.365 1.00 0.00 C ATOM 107 CD2 TYR A 11 -3.508 -15.668 0.227 1.00 0.00 C ATOM 108 CE1 TYR A 11 -5.907 -14.325 -0.004 1.00 0.00 C ATOM 109 CE2 TYR A 11 -4.685 -16.295 0.589 1.00 0.00 C ATOM 110 CZ TYR A 11 -5.881 -15.619 0.472 1.00 0.00 C ATOM 111 OH TYR A 11 -7.056 -16.239 0.831 1.00 0.00 O ATOM 0 H TYR A 11 -2.311 -13.145 2.250 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.893 -12.090 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.325 -13.275 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.422 -14.428 -0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.750 -12.693 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.573 -16.200 0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.846 -13.798 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.668 -17.309 0.961 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.864 -17.147 1.145 1.00 0.00 H new ATOM 121 N TRP A 12 -2.861 -10.557 -0.552 1.00 0.00 N ATOM 122 CA TRP A 12 -3.854 -9.490 -0.593 1.00 0.00 C ATOM 123 C TRP A 12 -4.787 -9.660 -1.787 1.00 0.00 C ATOM 124 O TRP A 12 -4.343 -9.964 -2.895 1.00 0.00 O ATOM 125 CB TRP A 12 -3.164 -8.126 -0.659 1.00 0.00 C ATOM 126 CG TRP A 12 -2.136 -8.032 -1.746 1.00 0.00 C ATOM 127 CD1 TRP A 12 -0.897 -8.606 -1.754 1.00 0.00 C ATOM 128 CD2 TRP A 12 -2.259 -7.321 -2.982 1.00 0.00 C ATOM 129 NE1 TRP A 12 -0.242 -8.294 -2.920 1.00 0.00 N ATOM 130 CE2 TRP A 12 -1.056 -7.508 -3.691 1.00 0.00 C ATOM 131 CE3 TRP A 12 -3.268 -6.546 -3.561 1.00 0.00 C ATOM 132 CZ2 TRP A 12 -0.837 -6.946 -4.946 1.00 0.00 C ATOM 133 CZ3 TRP A 12 -3.049 -5.989 -4.806 1.00 0.00 C ATOM 134 CH2 TRP A 12 -1.842 -6.192 -5.489 1.00 0.00 C ATOM 0 H TRP A 12 -2.154 -10.504 -1.286 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.448 -9.545 0.319 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.917 -7.353 -0.813 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.688 -7.921 0.300 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.492 -9.216 -0.960 1.00 0.00 H new ATOM 0 HE1 TRP A 12 0.699 -8.598 -3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.203 -6.385 -3.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 0.093 -7.100 -5.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.821 -5.387 -5.261 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.702 -5.745 -6.462 1.00 0.00 H new ATOM 145 N ASP A 13 -6.080 -9.462 -1.555 1.00 0.00 N ATOM 146 CA ASP A 13 -7.075 -9.593 -2.613 1.00 0.00 C ATOM 147 C ASP A 13 -7.158 -8.315 -3.441 1.00 0.00 C ATOM 148 O ASP A 13 -7.097 -7.209 -2.904 1.00 0.00 O ATOM 149 CB ASP A 13 -8.445 -9.919 -2.016 1.00 0.00 C ATOM 150 CG ASP A 13 -8.867 -8.921 -0.956 1.00 0.00 C ATOM 151 OD1 ASP A 13 -9.107 -7.747 -1.309 1.00 0.00 O ATOM 152 OD2 ASP A 13 -8.959 -9.313 0.225 1.00 0.00 O ATOM 0 H ASP A 13 -6.464 -9.210 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.769 -10.409 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.190 -9.936 -2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.420 -10.918 -1.581 1.00 0.00 H new ATOM 157 N CYS A 14 -7.298 -8.474 -4.753 1.00 0.00 N ATOM 158 CA CYS A 14 -7.388 -7.334 -5.657 1.00 0.00 C ATOM 159 C CYS A 14 -8.836 -6.882 -5.820 1.00 0.00 C ATOM 160 O CYS A 14 -9.768 -7.623 -5.505 1.00 0.00 O ATOM 161 CB CYS A 14 -6.797 -7.691 -7.022 1.00 0.00 C ATOM 162 SG CYS A 14 -6.850 -6.331 -8.234 1.00 0.00 S ATOM 0 H CYS A 14 -7.352 -9.382 -5.214 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.816 -6.513 -5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.761 -8.003 -6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.338 -8.546 -7.428 1.00 0.00 H new ATOM 167 N SER A 15 -9.018 -5.662 -6.314 1.00 0.00 N ATOM 168 CA SER A 15 -10.352 -5.109 -6.516 1.00 0.00 C ATOM 169 C SER A 15 -10.619 -4.861 -7.997 1.00 0.00 C ATOM 170 O SER A 15 -11.748 -4.999 -8.468 1.00 0.00 O ATOM 171 CB SER A 15 -10.511 -3.805 -5.732 1.00 0.00 C ATOM 172 OG SER A 15 -11.781 -3.221 -5.966 1.00 0.00 O ATOM 0 H SER A 15 -8.258 -5.037 -6.582 1.00 0.00 H new ATOM 0 HA SER A 15 -11.078 -5.835 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.388 -4.000 -4.667 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.727 -3.105 -6.021 1.00 0.00 H new ATOM 0 HG SER A 15 -11.858 -2.390 -5.453 1.00 0.00 H new ATOM 178 N VAL A 16 -9.571 -4.493 -8.727 1.00 0.00 N ATOM 179 CA VAL A 16 -9.690 -4.226 -10.156 1.00 0.00 C ATOM 180 C VAL A 16 -10.090 -5.484 -10.919 1.00 0.00 C ATOM 181 O VAL A 16 -11.146 -5.531 -11.550 1.00 0.00 O ATOM 182 CB VAL A 16 -8.371 -3.683 -10.737 1.00 0.00 C ATOM 183 CG1 VAL A 16 -8.486 -3.503 -12.243 1.00 0.00 C ATOM 184 CG2 VAL A 16 -7.991 -2.373 -10.063 1.00 0.00 C ATOM 0 H VAL A 16 -8.630 -4.373 -8.353 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.468 -3.471 -10.273 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.582 -4.408 -10.540 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.545 -3.119 -12.636 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.709 -4.463 -12.708 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.287 -2.798 -12.465 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.057 -2.004 -10.486 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.779 -1.638 -10.227 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.865 -2.538 -8.993 1.00 0.00 H new ATOM 194 N CYS A 17 -9.238 -6.502 -10.857 1.00 0.00 N ATOM 195 CA CYS A 17 -9.501 -7.762 -11.541 1.00 0.00 C ATOM 196 C CYS A 17 -9.867 -8.857 -10.544 1.00 0.00 C ATOM 197 O CYS A 17 -10.054 -10.016 -10.917 1.00 0.00 O ATOM 198 CB CYS A 17 -8.279 -8.188 -12.357 1.00 0.00 C ATOM 199 SG CYS A 17 -6.820 -8.604 -11.349 1.00 0.00 S ATOM 0 H CYS A 17 -8.359 -6.479 -10.340 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.345 -7.611 -12.214 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.545 -9.052 -12.966 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.016 -7.384 -13.044 1.00 0.00 H new ATOM 204 N THR A 18 -9.969 -8.482 -9.272 1.00 0.00 N ATOM 205 CA THR A 18 -10.311 -9.431 -8.221 1.00 0.00 C ATOM 206 C THR A 18 -9.398 -10.650 -8.261 1.00 0.00 C ATOM 207 O THR A 18 -9.811 -11.760 -7.924 1.00 0.00 O ATOM 208 CB THR A 18 -11.775 -9.896 -8.338 1.00 0.00 C ATOM 209 OG1 THR A 18 -11.914 -10.801 -9.439 1.00 0.00 O ATOM 210 CG2 THR A 18 -12.706 -8.708 -8.531 1.00 0.00 C ATOM 0 H THR A 18 -9.819 -7.527 -8.946 1.00 0.00 H new ATOM 0 HA THR A 18 -10.177 -8.912 -7.272 1.00 0.00 H new ATOM 0 HB THR A 18 -12.047 -10.404 -7.413 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.071 -10.841 -9.938 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.734 -9.061 -8.611 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.619 -8.035 -7.678 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.433 -8.176 -9.442 1.00 0.00 H new ATOM 218 N PHE A 19 -8.153 -10.438 -8.677 1.00 0.00 N ATOM 219 CA PHE A 19 -7.180 -11.521 -8.762 1.00 0.00 C ATOM 220 C PHE A 19 -6.427 -11.680 -7.445 1.00 0.00 C ATOM 221 O PHE A 19 -6.408 -10.771 -6.614 1.00 0.00 O ATOM 222 CB PHE A 19 -6.192 -11.259 -9.900 1.00 0.00 C ATOM 223 CG PHE A 19 -5.190 -12.362 -10.090 1.00 0.00 C ATOM 224 CD1 PHE A 19 -5.568 -13.569 -10.656 1.00 0.00 C ATOM 225 CD2 PHE A 19 -3.871 -12.192 -9.703 1.00 0.00 C ATOM 226 CE1 PHE A 19 -4.649 -14.585 -10.831 1.00 0.00 C ATOM 227 CE2 PHE A 19 -2.947 -13.205 -9.876 1.00 0.00 C ATOM 228 CZ PHE A 19 -3.336 -14.403 -10.442 1.00 0.00 C ATOM 0 H PHE A 19 -7.795 -9.526 -8.960 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.720 -12.446 -8.965 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.747 -11.120 -10.828 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.662 -10.327 -9.703 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.593 -13.717 -10.964 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.561 -11.257 -9.261 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.957 -15.522 -11.272 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.922 -13.060 -9.569 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.616 -15.196 -10.580 1.00 0.00 H new ATOM 238 N ARG A 20 -5.806 -12.841 -7.261 1.00 0.00 N ATOM 239 CA ARG A 20 -5.053 -13.120 -6.045 1.00 0.00 C ATOM 240 C ARG A 20 -3.554 -12.970 -6.288 1.00 0.00 C ATOM 241 O ARG A 20 -2.984 -13.641 -7.147 1.00 0.00 O ATOM 242 CB ARG A 20 -5.359 -14.532 -5.542 1.00 0.00 C ATOM 243 CG ARG A 20 -4.780 -14.829 -4.168 1.00 0.00 C ATOM 244 CD ARG A 20 -4.978 -16.287 -3.784 1.00 0.00 C ATOM 245 NE ARG A 20 -3.894 -17.134 -4.273 1.00 0.00 N ATOM 246 CZ ARG A 20 -4.032 -18.431 -4.526 1.00 0.00 C ATOM 247 NH1 ARG A 20 -5.202 -19.026 -4.336 1.00 0.00 N ATOM 248 NH2 ARG A 20 -2.999 -19.135 -4.970 1.00 0.00 N ATOM 0 H ARG A 20 -5.810 -13.603 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.356 -12.398 -5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.440 -14.670 -5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.967 -15.256 -6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.716 -14.591 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.255 -14.188 -3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.042 -16.371 -2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.926 -16.643 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.981 -16.707 -4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.998 -18.488 -3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.305 -20.022 -4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.098 -18.681 -5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.106 -20.131 -5.164 1.00 0.00 H new ATOM 262 N ASN A 21 -2.922 -12.084 -5.524 1.00 0.00 N ATOM 263 CA ASN A 21 -1.489 -11.845 -5.657 1.00 0.00 C ATOM 264 C ASN A 21 -0.760 -12.172 -4.358 1.00 0.00 C ATOM 265 O ASN A 21 -1.358 -12.173 -3.282 1.00 0.00 O ATOM 266 CB ASN A 21 -1.229 -10.388 -6.048 1.00 0.00 C ATOM 267 CG ASN A 21 -2.222 -9.879 -7.075 1.00 0.00 C ATOM 268 OD1 ASN A 21 -1.923 -9.819 -8.268 1.00 0.00 O ATOM 269 ND2 ASN A 21 -3.411 -9.508 -6.615 1.00 0.00 N ATOM 0 H ASN A 21 -3.379 -11.520 -4.807 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.108 -12.499 -6.441 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.278 -9.761 -5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.219 -10.296 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.120 -9.156 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.616 -9.575 -5.618 1.00 0.00 H new ATOM 276 N SER A 22 0.536 -12.449 -4.466 1.00 0.00 N ATOM 277 CA SER A 22 1.346 -12.781 -3.301 1.00 0.00 C ATOM 278 C SER A 22 1.847 -11.517 -2.609 1.00 0.00 C ATOM 279 O SER A 22 2.208 -10.540 -3.264 1.00 0.00 O ATOM 280 CB SER A 22 2.533 -13.656 -3.711 1.00 0.00 C ATOM 281 OG SER A 22 2.094 -14.871 -4.293 1.00 0.00 O ATOM 0 H SER A 22 1.047 -12.450 -5.349 1.00 0.00 H new ATOM 0 HA SER A 22 0.720 -13.334 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.160 -13.115 -4.420 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.150 -13.869 -2.838 1.00 0.00 H new ATOM 0 HG SER A 22 2.871 -15.411 -4.548 1.00 0.00 H new ATOM 287 N ALA A 23 1.865 -11.545 -1.280 1.00 0.00 N ATOM 288 CA ALA A 23 2.323 -10.403 -0.498 1.00 0.00 C ATOM 289 C ALA A 23 3.594 -9.806 -1.092 1.00 0.00 C ATOM 290 O ALA A 23 3.697 -8.592 -1.265 1.00 0.00 O ATOM 291 CB ALA A 23 2.555 -10.813 0.948 1.00 0.00 C ATOM 0 H ALA A 23 1.568 -12.346 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 23 1.546 -9.639 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.897 -9.951 1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.624 -11.186 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.311 -11.597 0.987 1.00 0.00 H new ATOM 297 N GLU A 24 4.559 -10.667 -1.401 1.00 0.00 N ATOM 298 CA GLU A 24 5.824 -10.222 -1.973 1.00 0.00 C ATOM 299 C GLU A 24 5.596 -9.126 -3.010 1.00 0.00 C ATOM 300 O GLU A 24 6.162 -8.037 -2.913 1.00 0.00 O ATOM 301 CB GLU A 24 6.562 -11.400 -2.613 1.00 0.00 C ATOM 302 CG GLU A 24 8.075 -11.261 -2.579 1.00 0.00 C ATOM 303 CD GLU A 24 8.587 -10.780 -1.235 1.00 0.00 C ATOM 304 OE1 GLU A 24 7.962 -11.114 -0.207 1.00 0.00 O ATOM 305 OE2 GLU A 24 9.613 -10.068 -1.213 1.00 0.00 O ATOM 0 H GLU A 24 4.489 -11.675 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 24 6.435 -9.815 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.278 -12.318 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.238 -11.501 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.530 -12.223 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.389 -10.562 -3.354 1.00 0.00 H new ATOM 312 N ALA A 25 4.765 -9.423 -4.004 1.00 0.00 N ATOM 313 CA ALA A 25 4.461 -8.464 -5.059 1.00 0.00 C ATOM 314 C ALA A 25 3.730 -7.248 -4.500 1.00 0.00 C ATOM 315 O ALA A 25 2.719 -7.381 -3.810 1.00 0.00 O ATOM 316 CB ALA A 25 3.633 -9.125 -6.150 1.00 0.00 C ATOM 0 H ALA A 25 4.290 -10.321 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 25 5.403 -8.123 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.413 -8.397 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.192 -9.958 -6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.700 -9.494 -5.725 1.00 0.00 H new ATOM 322 N PHE A 26 4.247 -6.062 -4.803 1.00 0.00 N ATOM 323 CA PHE A 26 3.644 -4.821 -4.330 1.00 0.00 C ATOM 324 C PHE A 26 2.405 -4.472 -5.150 1.00 0.00 C ATOM 325 O PHE A 26 1.463 -3.861 -4.644 1.00 0.00 O ATOM 326 CB PHE A 26 4.656 -3.677 -4.403 1.00 0.00 C ATOM 327 CG PHE A 26 5.462 -3.669 -5.671 1.00 0.00 C ATOM 328 CD1 PHE A 26 6.603 -4.447 -5.787 1.00 0.00 C ATOM 329 CD2 PHE A 26 5.078 -2.885 -6.746 1.00 0.00 C ATOM 330 CE1 PHE A 26 7.347 -4.440 -6.951 1.00 0.00 C ATOM 331 CE2 PHE A 26 5.818 -2.875 -7.914 1.00 0.00 C ATOM 332 CZ PHE A 26 6.953 -3.655 -8.017 1.00 0.00 C ATOM 0 H PHE A 26 5.082 -5.934 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 26 3.343 -4.965 -3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.127 -2.728 -4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.333 -3.747 -3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.914 -5.066 -4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.190 -2.274 -6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.236 -5.048 -7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.509 -2.258 -8.745 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.531 -3.651 -8.929 1.00 0.00 H new ATOM 342 N LYS A 27 2.412 -4.864 -6.419 1.00 0.00 N ATOM 343 CA LYS A 27 1.290 -4.595 -7.311 1.00 0.00 C ATOM 344 C LYS A 27 0.706 -5.893 -7.858 1.00 0.00 C ATOM 345 O LYS A 27 1.359 -6.937 -7.836 1.00 0.00 O ATOM 346 CB LYS A 27 1.736 -3.696 -8.467 1.00 0.00 C ATOM 347 CG LYS A 27 2.419 -4.450 -9.595 1.00 0.00 C ATOM 348 CD LYS A 27 3.910 -4.598 -9.344 1.00 0.00 C ATOM 349 CE LYS A 27 4.472 -5.829 -10.038 1.00 0.00 C ATOM 350 NZ LYS A 27 5.959 -5.879 -9.960 1.00 0.00 N ATOM 0 H LYS A 27 3.183 -5.370 -6.854 1.00 0.00 H new ATOM 0 HA LYS A 27 0.517 -4.083 -6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.867 -3.172 -8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.418 -2.937 -8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.967 -5.436 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.258 -3.923 -10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.430 -3.709 -9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.095 -4.667 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.054 -6.726 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.163 -5.830 -11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.365 -5.543 -10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.286 -5.271 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.265 -6.858 -9.787 1.00 0.00 H new ATOM 364 N CYS A 28 -0.526 -5.821 -8.349 1.00 0.00 N ATOM 365 CA CYS A 28 -1.199 -6.990 -8.903 1.00 0.00 C ATOM 366 C CYS A 28 -0.389 -7.592 -10.048 1.00 0.00 C ATOM 367 O CYS A 28 0.515 -6.952 -10.585 1.00 0.00 O ATOM 368 CB CYS A 28 -2.598 -6.614 -9.396 1.00 0.00 C ATOM 369 SG CYS A 28 -3.769 -8.008 -9.445 1.00 0.00 S ATOM 0 H CYS A 28 -1.080 -4.965 -8.375 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.288 -7.735 -8.113 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.003 -5.836 -8.749 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.517 -6.187 -10.395 1.00 0.00 H new ATOM 374 N MET A 29 -0.720 -8.826 -10.414 1.00 0.00 N ATOM 375 CA MET A 29 -0.024 -9.513 -11.496 1.00 0.00 C ATOM 376 C MET A 29 -0.905 -9.604 -12.738 1.00 0.00 C ATOM 377 O MET A 29 -0.410 -9.578 -13.865 1.00 0.00 O ATOM 378 CB MET A 29 0.395 -10.916 -11.051 1.00 0.00 C ATOM 379 CG MET A 29 1.556 -11.485 -11.851 1.00 0.00 C ATOM 380 SD MET A 29 3.065 -10.515 -11.671 1.00 0.00 S ATOM 381 CE MET A 29 4.090 -11.652 -10.740 1.00 0.00 C ATOM 0 H MET A 29 -1.465 -9.370 -9.978 1.00 0.00 H new ATOM 0 HA MET A 29 0.867 -8.936 -11.745 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.670 -10.887 -9.997 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.460 -11.587 -11.139 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.746 -12.509 -11.529 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.280 -11.528 -12.905 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.061 -11.194 -10.549 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.606 -11.885 -9.791 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.228 -12.570 -11.312 1.00 0.00 H new ATOM 391 N MET A 30 -2.213 -9.710 -12.524 1.00 0.00 N ATOM 392 CA MET A 30 -3.162 -9.803 -13.628 1.00 0.00 C ATOM 393 C MET A 30 -3.390 -8.436 -14.265 1.00 0.00 C ATOM 394 O MET A 30 -3.023 -8.209 -15.419 1.00 0.00 O ATOM 395 CB MET A 30 -4.492 -10.378 -13.137 1.00 0.00 C ATOM 396 CG MET A 30 -5.691 -9.912 -13.946 1.00 0.00 C ATOM 397 SD MET A 30 -5.590 -10.395 -15.680 1.00 0.00 S ATOM 398 CE MET A 30 -6.360 -12.011 -15.626 1.00 0.00 C ATOM 0 H MET A 30 -2.639 -9.734 -11.598 1.00 0.00 H new ATOM 0 HA MET A 30 -2.742 -10.470 -14.381 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.442 -11.466 -13.170 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.637 -10.097 -12.094 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.601 -10.325 -13.510 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.770 -8.827 -13.879 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.373 -12.442 -16.627 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.795 -12.661 -14.959 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.382 -11.915 -15.259 1.00 0.00 H new ATOM 408 N CYS A 31 -3.998 -7.529 -13.509 1.00 0.00 N ATOM 409 CA CYS A 31 -4.276 -6.185 -14.000 1.00 0.00 C ATOM 410 C CYS A 31 -3.095 -5.255 -13.738 1.00 0.00 C ATOM 411 O CYS A 31 -2.933 -4.236 -14.409 1.00 0.00 O ATOM 412 CB CYS A 31 -5.536 -5.627 -13.334 1.00 0.00 C ATOM 413 SG CYS A 31 -5.321 -5.200 -11.577 1.00 0.00 S ATOM 0 H CYS A 31 -4.308 -7.701 -12.553 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.437 -6.244 -15.076 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.857 -4.738 -13.876 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.337 -6.361 -13.423 1.00 0.00 H new ATOM 418 N ASP A 32 -2.272 -5.614 -12.758 1.00 0.00 N ATOM 419 CA ASP A 32 -1.105 -4.814 -12.408 1.00 0.00 C ATOM 420 C ASP A 32 -1.524 -3.469 -11.822 1.00 0.00 C ATOM 421 O ASP A 32 -1.017 -2.421 -12.221 1.00 0.00 O ATOM 422 CB ASP A 32 -0.222 -4.594 -13.638 1.00 0.00 C ATOM 423 CG ASP A 32 1.081 -3.899 -13.299 1.00 0.00 C ATOM 424 OD1 ASP A 32 1.950 -4.540 -12.672 1.00 0.00 O ATOM 425 OD2 ASP A 32 1.233 -2.713 -13.660 1.00 0.00 O ATOM 0 H ASP A 32 -2.392 -6.454 -12.192 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.536 -5.358 -11.654 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.007 -5.556 -14.104 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.767 -4.000 -14.371 1.00 0.00 H new ATOM 430 N VAL A 33 -2.454 -3.508 -10.872 1.00 0.00 N ATOM 431 CA VAL A 33 -2.941 -2.293 -10.230 1.00 0.00 C ATOM 432 C VAL A 33 -2.158 -1.991 -8.958 1.00 0.00 C ATOM 433 O VAL A 33 -1.626 -2.896 -8.315 1.00 0.00 O ATOM 434 CB VAL A 33 -4.438 -2.402 -9.885 1.00 0.00 C ATOM 435 CG1 VAL A 33 -4.654 -3.397 -8.754 1.00 0.00 C ATOM 436 CG2 VAL A 33 -5.002 -1.037 -9.520 1.00 0.00 C ATOM 0 H VAL A 33 -2.885 -4.367 -10.531 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.798 -1.480 -10.942 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.970 -2.766 -10.764 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.717 -3.461 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.289 -4.378 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.111 -3.066 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.061 -1.133 -9.279 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.468 -0.642 -8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.882 -0.357 -10.363 1.00 0.00 H new ATOM 446 N ARG A 34 -2.091 -0.713 -8.599 1.00 0.00 N ATOM 447 CA ARG A 34 -1.372 -0.292 -7.403 1.00 0.00 C ATOM 448 C ARG A 34 -2.058 -0.813 -6.144 1.00 0.00 C ATOM 449 O ARG A 34 -3.285 -0.894 -6.081 1.00 0.00 O ATOM 450 CB ARG A 34 -1.277 1.234 -7.351 1.00 0.00 C ATOM 451 CG ARG A 34 -2.582 1.913 -6.970 1.00 0.00 C ATOM 452 CD ARG A 34 -3.453 2.171 -8.190 1.00 0.00 C ATOM 453 NE ARG A 34 -4.407 3.253 -7.963 1.00 0.00 N ATOM 454 CZ ARG A 34 -5.167 3.775 -8.920 1.00 0.00 C ATOM 455 NH1 ARG A 34 -5.084 3.317 -10.161 1.00 0.00 N ATOM 456 NH2 ARG A 34 -6.011 4.758 -8.635 1.00 0.00 N ATOM 0 H ARG A 34 -2.526 0.049 -9.120 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.367 -0.711 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.507 1.517 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.956 1.603 -8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.124 1.289 -6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.369 2.857 -6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.820 2.419 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.993 1.260 -8.449 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.495 3.628 -7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.435 2.562 -10.384 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.669 3.720 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.077 5.113 -7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.594 5.159 -9.370 1.00 0.00 H new ATOM 470 N LYS A 35 -1.259 -1.165 -5.143 1.00 0.00 N ATOM 471 CA LYS A 35 -1.788 -1.678 -3.885 1.00 0.00 C ATOM 472 C LYS A 35 -1.641 -0.645 -2.772 1.00 0.00 C ATOM 473 O LYS A 35 -2.519 -0.506 -1.921 1.00 0.00 O ATOM 474 CB LYS A 35 -1.067 -2.970 -3.494 1.00 0.00 C ATOM 475 CG LYS A 35 0.155 -2.745 -2.620 1.00 0.00 C ATOM 476 CD LYS A 35 0.677 -4.051 -2.045 1.00 0.00 C ATOM 477 CE LYS A 35 0.060 -4.349 -0.688 1.00 0.00 C ATOM 478 NZ LYS A 35 0.455 -3.340 0.335 1.00 0.00 N ATOM 0 H LYS A 35 -0.241 -1.104 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.848 -1.889 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.765 -3.620 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.764 -3.495 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.939 -2.265 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.098 -2.064 -1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.456 -4.867 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.762 -4.000 -1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.026 -4.368 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.369 -5.341 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.427 -3.774 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.419 -3.004 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.205 -2.537 0.303 1.00 0.00 H new ATOM 492 N GLY A 36 -0.526 0.079 -2.785 1.00 0.00 N ATOM 493 CA GLY A 36 -0.286 1.091 -1.773 1.00 0.00 C ATOM 494 C GLY A 36 0.841 0.713 -0.832 1.00 0.00 C ATOM 495 O GLY A 36 1.428 -0.363 -0.953 1.00 0.00 O ATOM 0 H GLY A 36 0.216 -0.017 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.048 2.037 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.198 1.249 -1.198 1.00 0.00 H new ATOM 499 N THR A 37 1.146 1.601 0.109 1.00 0.00 N ATOM 500 CA THR A 37 2.212 1.357 1.073 1.00 0.00 C ATOM 501 C THR A 37 1.882 1.977 2.426 1.00 0.00 C ATOM 502 O THR A 37 1.406 3.110 2.502 1.00 0.00 O ATOM 503 CB THR A 37 3.557 1.921 0.578 1.00 0.00 C ATOM 504 OG1 THR A 37 4.591 1.624 1.524 1.00 0.00 O ATOM 505 CG2 THR A 37 3.470 3.425 0.370 1.00 0.00 C ATOM 0 H THR A 37 0.670 2.496 0.224 1.00 0.00 H new ATOM 0 HA THR A 37 2.298 0.276 1.182 1.00 0.00 H new ATOM 0 HB THR A 37 3.793 1.451 -0.377 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.443 1.984 1.201 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.432 3.800 0.020 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.703 3.646 -0.372 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.213 3.908 1.313 1.00 0.00 H new ATOM 513 N SER A 38 2.137 1.227 3.493 1.00 0.00 N ATOM 514 CA SER A 38 1.864 1.702 4.845 1.00 0.00 C ATOM 515 C SER A 38 2.692 2.943 5.162 1.00 0.00 C ATOM 516 O SER A 38 3.920 2.923 5.081 1.00 0.00 O ATOM 517 CB SER A 38 2.162 0.601 5.865 1.00 0.00 C ATOM 518 OG SER A 38 1.065 -0.286 5.995 1.00 0.00 O ATOM 0 H SER A 38 2.532 0.288 3.448 1.00 0.00 H new ATOM 0 HA SER A 38 0.808 1.966 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.048 0.046 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.388 1.049 6.833 1.00 0.00 H new ATOM 0 HG SER A 38 1.282 -0.981 6.651 1.00 0.00 H new ATOM 524 N THR A 39 2.009 4.025 5.524 1.00 0.00 N ATOM 525 CA THR A 39 2.679 5.277 5.853 1.00 0.00 C ATOM 526 C THR A 39 2.950 5.379 7.349 1.00 0.00 C ATOM 527 O THR A 39 4.007 5.852 7.768 1.00 0.00 O ATOM 528 CB THR A 39 1.846 6.494 5.409 1.00 0.00 C ATOM 529 OG1 THR A 39 2.547 7.705 5.713 1.00 0.00 O ATOM 530 CG2 THR A 39 0.489 6.501 6.098 1.00 0.00 C ATOM 0 H THR A 39 0.992 4.059 5.597 1.00 0.00 H new ATOM 0 HA THR A 39 3.627 5.279 5.314 1.00 0.00 H new ATOM 0 HB THR A 39 1.689 6.426 4.332 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.011 8.474 5.426 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.082 7.369 5.769 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.054 5.591 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.629 6.547 7.178 1.00 0.00 H new ATOM 538 N ARG A 40 1.989 4.933 8.152 1.00 0.00 N ATOM 539 CA ARG A 40 2.125 4.975 9.603 1.00 0.00 C ATOM 540 C ARG A 40 3.214 4.017 10.075 1.00 0.00 C ATOM 541 O ARG A 40 3.412 2.950 9.494 1.00 0.00 O ATOM 542 CB ARG A 40 0.795 4.621 10.271 1.00 0.00 C ATOM 543 CG ARG A 40 -0.228 5.745 10.224 1.00 0.00 C ATOM 544 CD ARG A 40 -1.545 5.326 10.858 1.00 0.00 C ATOM 545 NE ARG A 40 -2.614 6.283 10.584 1.00 0.00 N ATOM 546 CZ ARG A 40 -2.865 7.342 11.346 1.00 0.00 C ATOM 547 NH1 ARG A 40 -2.127 7.578 12.422 1.00 0.00 N ATOM 548 NH2 ARG A 40 -3.855 8.167 11.031 1.00 0.00 N ATOM 0 H ARG A 40 1.108 4.539 7.822 1.00 0.00 H new ATOM 0 HA ARG A 40 2.409 5.988 9.887 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.377 3.740 9.784 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.980 4.353 11.311 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.166 6.619 10.744 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.399 6.040 9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.832 4.344 10.482 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.414 5.228 11.936 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.200 6.130 9.763 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.365 6.946 12.666 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.322 8.392 13.005 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.424 7.988 10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.047 8.980 11.616 1.00 0.00 H new ATOM 562 N LYS A 41 3.919 4.406 11.133 1.00 0.00 N ATOM 563 CA LYS A 41 4.988 3.582 11.685 1.00 0.00 C ATOM 564 C LYS A 41 4.506 2.818 12.914 1.00 0.00 C ATOM 565 O LYS A 41 3.533 3.194 13.566 1.00 0.00 O ATOM 566 CB LYS A 41 6.192 4.453 12.052 1.00 0.00 C ATOM 567 CG LYS A 41 7.054 4.833 10.860 1.00 0.00 C ATOM 568 CD LYS A 41 7.994 3.704 10.469 1.00 0.00 C ATOM 569 CE LYS A 41 9.212 3.655 11.378 1.00 0.00 C ATOM 570 NZ LYS A 41 9.963 2.377 11.230 1.00 0.00 N ATOM 0 H LYS A 41 3.769 5.287 11.625 1.00 0.00 H new ATOM 0 HA LYS A 41 5.287 2.860 10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.838 5.362 12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.806 3.922 12.779 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.415 5.085 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.634 5.724 11.099 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.463 2.753 10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.315 3.837 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.871 4.492 11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.897 3.773 12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.786 2.382 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.342 1.579 11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.286 2.276 10.247 1.00 0.00 H new ATOM 584 N PRO A 42 5.204 1.720 13.240 1.00 0.00 N ATOM 585 CA PRO A 42 4.867 0.881 14.394 1.00 0.00 C ATOM 586 C PRO A 42 5.155 1.576 15.720 1.00 0.00 C ATOM 587 O PRO A 42 5.124 0.951 16.779 1.00 0.00 O ATOM 588 CB PRO A 42 5.774 -0.340 14.222 1.00 0.00 C ATOM 589 CG PRO A 42 6.929 0.156 13.423 1.00 0.00 C ATOM 590 CD PRO A 42 6.376 1.212 12.507 1.00 0.00 C ATOM 0 HA PRO A 42 3.805 0.639 14.425 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.098 -0.731 15.186 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.255 -1.149 13.708 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.703 0.568 14.070 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.386 -0.654 12.854 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.104 2.001 12.317 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.096 0.797 11.539 1.00 0.00 H new ATOM 598 N ARG A 43 5.436 2.874 15.653 1.00 0.00 N ATOM 599 CA ARG A 43 5.730 3.654 16.849 1.00 0.00 C ATOM 600 C ARG A 43 4.532 3.674 17.794 1.00 0.00 C ATOM 601 O ARG A 43 3.387 3.852 17.379 1.00 0.00 O ATOM 602 CB ARG A 43 6.117 5.084 16.469 1.00 0.00 C ATOM 603 CG ARG A 43 6.508 5.946 17.658 1.00 0.00 C ATOM 604 CD ARG A 43 7.994 5.836 17.962 1.00 0.00 C ATOM 605 NE ARG A 43 8.813 6.448 16.919 1.00 0.00 N ATOM 606 CZ ARG A 43 10.139 6.370 16.885 1.00 0.00 C ATOM 607 NH1 ARG A 43 10.791 5.708 17.831 1.00 0.00 N ATOM 608 NH2 ARG A 43 10.814 6.953 15.904 1.00 0.00 N ATOM 0 H ARG A 43 5.466 3.407 14.784 1.00 0.00 H new ATOM 0 HA ARG A 43 6.568 3.182 17.362 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.949 5.051 15.766 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.280 5.552 15.951 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.253 6.986 17.454 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.933 5.643 18.533 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.205 6.317 18.917 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.266 4.786 18.067 1.00 0.00 H new ATOM 0 HE ARG A 43 8.341 6.964 16.176 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.275 5.258 18.587 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.809 5.649 17.803 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.315 7.462 15.174 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.832 6.892 15.879 1.00 0.00 H new ATOM 622 N PRO A 44 4.801 3.487 19.095 1.00 0.00 N ATOM 623 CA PRO A 44 3.758 3.479 20.125 1.00 0.00 C ATOM 624 C PRO A 44 3.154 4.861 20.348 1.00 0.00 C ATOM 625 O PRO A 44 3.818 5.879 20.155 1.00 0.00 O ATOM 626 CB PRO A 44 4.502 3.012 21.379 1.00 0.00 C ATOM 627 CG PRO A 44 5.922 3.395 21.142 1.00 0.00 C ATOM 628 CD PRO A 44 6.143 3.268 19.660 1.00 0.00 C ATOM 0 HA PRO A 44 2.917 2.842 19.849 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.107 3.491 22.275 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.401 1.936 21.522 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.113 4.414 21.479 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.599 2.744 21.695 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.858 4.006 19.296 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.535 2.286 19.395 1.00 0.00 H new ATOM 636 N VAL A 45 1.889 4.890 20.757 1.00 0.00 N ATOM 637 CA VAL A 45 1.195 6.147 21.008 1.00 0.00 C ATOM 638 C VAL A 45 1.165 7.018 19.757 1.00 0.00 C ATOM 639 O VAL A 45 1.453 8.213 19.812 1.00 0.00 O ATOM 640 CB VAL A 45 1.859 6.936 22.152 1.00 0.00 C ATOM 641 CG1 VAL A 45 1.020 8.149 22.522 1.00 0.00 C ATOM 642 CG2 VAL A 45 2.076 6.038 23.362 1.00 0.00 C ATOM 0 H VAL A 45 1.324 4.057 20.921 1.00 0.00 H new ATOM 0 HA VAL A 45 0.175 5.893 21.295 1.00 0.00 H new ATOM 0 HB VAL A 45 2.832 7.289 21.810 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.505 8.694 23.332 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.921 8.801 21.654 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.032 7.823 22.845 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.546 6.611 24.161 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.116 5.654 23.707 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.722 5.204 23.085 1.00 0.00 H new ATOM 652 N SER A 46 0.812 6.410 18.628 1.00 0.00 N ATOM 653 CA SER A 46 0.747 7.129 17.361 1.00 0.00 C ATOM 654 C SER A 46 -0.668 7.632 17.095 1.00 0.00 C ATOM 655 O SER A 46 -0.890 8.831 16.925 1.00 0.00 O ATOM 656 CB SER A 46 1.204 6.225 16.214 1.00 0.00 C ATOM 657 OG SER A 46 0.880 6.794 14.957 1.00 0.00 O ATOM 0 H SER A 46 0.567 5.422 18.565 1.00 0.00 H new ATOM 0 HA SER A 46 1.414 7.989 17.424 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.280 6.066 16.278 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.732 5.247 16.307 1.00 0.00 H new ATOM 0 HG SER A 46 1.184 6.198 14.240 1.00 0.00 H new ATOM 663 N GLN A 47 -1.622 6.707 17.059 1.00 0.00 N ATOM 664 CA GLN A 47 -3.016 7.056 16.812 1.00 0.00 C ATOM 665 C GLN A 47 -3.619 7.771 18.017 1.00 0.00 C ATOM 666 O GLN A 47 -4.387 8.722 17.866 1.00 0.00 O ATOM 667 CB GLN A 47 -3.829 5.801 16.489 1.00 0.00 C ATOM 668 CG GLN A 47 -3.867 4.792 17.626 1.00 0.00 C ATOM 669 CD GLN A 47 -2.596 3.972 17.720 1.00 0.00 C ATOM 670 OE1 GLN A 47 -2.244 3.241 16.793 1.00 0.00 O ATOM 671 NE2 GLN A 47 -1.898 4.088 18.844 1.00 0.00 N ATOM 0 H GLN A 47 -1.455 5.710 17.198 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.049 7.731 15.957 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.849 6.093 16.239 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.408 5.323 15.604 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.027 5.317 18.568 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.717 4.124 17.486 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.226 4.705 19.587 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.034 3.560 18.964 1.00 0.00 H new ATOM 680 N SER A 48 -3.267 7.307 19.212 1.00 0.00 N ATOM 681 CA SER A 48 -3.777 7.900 20.442 1.00 0.00 C ATOM 682 C SER A 48 -3.010 7.380 21.654 1.00 0.00 C ATOM 683 O SER A 48 -2.422 6.300 21.615 1.00 0.00 O ATOM 684 CB SER A 48 -5.268 7.596 20.600 1.00 0.00 C ATOM 685 OG SER A 48 -6.060 8.573 19.946 1.00 0.00 O ATOM 0 H SER A 48 -2.631 6.522 19.354 1.00 0.00 H new ATOM 0 HA SER A 48 -3.638 8.979 20.381 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.487 6.611 20.188 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.526 7.564 21.659 1.00 0.00 H new ATOM 0 HG SER A 48 -5.691 8.751 19.056 1.00 0.00 H new ATOM 691 N GLY A 49 -3.021 8.159 22.732 1.00 0.00 N ATOM 692 CA GLY A 49 -2.323 7.762 23.941 1.00 0.00 C ATOM 693 C GLY A 49 -3.178 6.901 24.849 1.00 0.00 C ATOM 694 O GLY A 49 -4.182 7.352 25.402 1.00 0.00 O ATOM 0 H GLY A 49 -3.501 9.057 22.789 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.420 7.215 23.672 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.006 8.653 24.483 1.00 0.00 H new ATOM 698 N PRO A 50 -2.783 5.630 25.010 1.00 0.00 N ATOM 699 CA PRO A 50 -3.508 4.676 25.855 1.00 0.00 C ATOM 700 C PRO A 50 -3.385 5.006 27.339 1.00 0.00 C ATOM 701 O PRO A 50 -4.001 4.355 28.183 1.00 0.00 O ATOM 702 CB PRO A 50 -2.829 3.340 25.546 1.00 0.00 C ATOM 703 CG PRO A 50 -1.458 3.708 25.092 1.00 0.00 C ATOM 704 CD PRO A 50 -1.597 5.025 24.380 1.00 0.00 C ATOM 0 HA PRO A 50 -4.579 4.682 25.650 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.796 2.700 26.427 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.368 2.791 24.774 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.776 3.792 25.938 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.049 2.947 24.428 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.712 5.647 24.510 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.737 4.889 23.308 1.00 0.00 H new ATOM 712 N SER A 51 -2.585 6.021 27.650 1.00 0.00 N ATOM 713 CA SER A 51 -2.378 6.435 29.033 1.00 0.00 C ATOM 714 C SER A 51 -3.478 7.391 29.484 1.00 0.00 C ATOM 715 O SER A 51 -3.328 8.104 30.476 1.00 0.00 O ATOM 716 CB SER A 51 -1.011 7.104 29.188 1.00 0.00 C ATOM 717 OG SER A 51 -0.837 8.137 28.234 1.00 0.00 O ATOM 0 H SER A 51 -2.070 6.572 26.963 1.00 0.00 H new ATOM 0 HA SER A 51 -2.413 5.545 29.662 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.915 7.514 30.194 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.223 6.360 29.071 1.00 0.00 H new ATOM 0 HG SER A 51 0.044 8.550 28.355 1.00 0.00 H new ATOM 723 N SER A 52 -4.585 7.399 28.748 1.00 0.00 N ATOM 724 CA SER A 52 -5.710 8.270 29.069 1.00 0.00 C ATOM 725 C SER A 52 -5.302 9.738 28.988 1.00 0.00 C ATOM 726 O SER A 52 -5.671 10.544 29.840 1.00 0.00 O ATOM 727 CB SER A 52 -6.244 7.954 30.468 1.00 0.00 C ATOM 728 OG SER A 52 -7.565 8.438 30.630 1.00 0.00 O ATOM 0 H SER A 52 -4.727 6.812 27.926 1.00 0.00 H new ATOM 0 HA SER A 52 -6.497 8.089 28.337 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.225 6.877 30.633 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.594 8.403 31.219 1.00 0.00 H new ATOM 0 HG SER A 52 -7.583 9.403 30.460 1.00 0.00 H new ATOM 734 N GLY A 53 -4.536 10.076 27.954 1.00 0.00 N ATOM 735 CA GLY A 53 -4.089 11.446 27.780 1.00 0.00 C ATOM 736 C GLY A 53 -4.133 11.890 26.331 1.00 0.00 C ATOM 737 O GLY A 53 -5.045 12.627 25.958 1.00 0.00 O ATOM 0 H GLY A 53 -4.218 9.426 27.235 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.714 12.108 28.379 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.071 11.543 28.156 1.00 0.00 H new TER 741 GLY A 53 HETATM 742 ZN ZN A 201 -5.753 -7.001 -10.198 1.00 0.00 ZN