USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 543 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 56 TYR OH : rot 8:sc= 0.235 USER MOD Set 1.2: A 69 THR OG1 : rot 140:sc= 0.283 USER MOD Set 2.1: A 24 GLN : amide:sc= -0.788 K(o=-1.7,f=-7.1!) USER MOD Set 2.2: A 47 ASN : amide:sc= -0.953 K(o=-1.7,f=-2.7!) USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 32 ASN : amide:sc= 0.438 K(o=0.44,f=-0.43) USER MOD Single : A 1 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 1 ASN N :NH3+ -161:sc= 0 (180deg=-0.504) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 168:sc=-0.00431 (180deg=-0.265) USER MOD Single : A 33 THR OG1 : rot -7:sc= 0.161 USER MOD Single : A 34 ASN : amide:sc= -0.0208 K(o=-0.021,f=-1.2!) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.201) USER MOD Single : A 38 SER OG : rot 180:sc= -0.347 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 89:sc= 0.952 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.17! C(o=-3.2!,f=-8.6!) USER MOD Single : A 55 SER OG : rot 76:sc= 1.19 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.0697 (180deg=-0.53) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 57:sc= 1.16 USER MOD Single : A 67 THR OG1 : rot 139:sc= 1.68 USER MOD Single : A 68 GLN : amide:sc= -8.19 K(o=-8.2,f=-24!) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.81 F(o=-2.2,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -30.650 -1.266 -2.684 1.00 0.00 N ATOM 2 CA ASN A 1 -31.345 -0.753 -1.470 1.00 0.00 C ATOM 3 C ASN A 1 -32.766 -1.305 -1.429 1.00 0.00 C ATOM 4 O ASN A 1 -33.219 -1.804 -0.399 1.00 0.00 O ATOM 5 CB ASN A 1 -31.379 0.776 -1.513 1.00 0.00 C ATOM 6 CG ASN A 1 -30.000 1.318 -1.874 1.00 0.00 C ATOM 7 OD1 ASN A 1 -29.846 1.997 -2.890 1.00 0.00 O ATOM 8 ND2 ASN A 1 -28.982 1.057 -1.100 1.00 0.00 N ATOM 0 H1 ASN A 1 -29.622 -1.170 -2.562 1.00 0.00 H new ATOM 0 H2 ASN A 1 -30.890 -2.268 -2.824 1.00 0.00 H new ATOM 0 H3 ASN A 1 -30.952 -0.718 -3.515 1.00 0.00 H new ATOM 0 HA ASN A 1 -30.811 -1.074 -0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -32.114 1.111 -2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -31.691 1.168 -0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -28.057 1.416 -1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -29.112 0.495 -0.259 1.00 0.00 H new ATOM 17 N LEU A 2 -33.463 -1.211 -2.556 1.00 0.00 N ATOM 18 CA LEU A 2 -34.834 -1.704 -2.640 1.00 0.00 C ATOM 19 C LEU A 2 -35.713 -1.017 -1.598 1.00 0.00 C ATOM 20 O LEU A 2 -36.667 -1.607 -1.089 1.00 0.00 O ATOM 21 CB LEU A 2 -34.860 -3.219 -2.411 1.00 0.00 C ATOM 22 CG LEU A 2 -33.966 -3.916 -3.441 1.00 0.00 C ATOM 23 CD1 LEU A 2 -33.951 -5.421 -3.164 1.00 0.00 C ATOM 24 CD2 LEU A 2 -34.511 -3.669 -4.851 1.00 0.00 C ATOM 0 H LEU A 2 -33.105 -0.801 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 2 -35.221 -1.480 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -34.516 -3.449 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -35.881 -3.591 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 2 -32.954 -3.517 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -33.315 -5.919 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -33.562 -5.603 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -34.965 -5.814 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -33.872 -4.167 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -35.523 -4.066 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -34.526 -2.598 -5.053 1.00 0.00 H new ATOM 36 N THR A 3 -35.386 0.234 -1.288 1.00 0.00 N ATOM 37 CA THR A 3 -36.154 0.992 -0.308 1.00 0.00 C ATOM 38 C THR A 3 -36.136 2.478 -0.651 1.00 0.00 C ATOM 39 O THR A 3 -35.200 2.967 -1.283 1.00 0.00 O ATOM 40 CB THR A 3 -35.570 0.782 1.092 1.00 0.00 C ATOM 41 OG1 THR A 3 -36.405 1.415 2.051 1.00 0.00 O ATOM 42 CG2 THR A 3 -34.166 1.385 1.157 1.00 0.00 C ATOM 0 H THR A 3 -34.601 0.740 -1.698 1.00 0.00 H new ATOM 0 HA THR A 3 -37.184 0.637 -0.327 1.00 0.00 H new ATOM 0 HB THR A 3 -35.514 -0.285 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 3 -36.034 1.280 2.948 1.00 0.00 H new ATOM 0 HG21 THR A 3 -33.751 1.235 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 3 -33.526 0.898 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 3 -34.218 2.452 0.943 1.00 0.00 H new ATOM 50 N LYS A 4 -37.176 3.191 -0.233 1.00 0.00 N ATOM 51 CA LYS A 4 -37.269 4.621 -0.506 1.00 0.00 C ATOM 52 C LYS A 4 -37.545 5.398 0.777 1.00 0.00 C ATOM 53 O LYS A 4 -38.225 4.905 1.678 1.00 0.00 O ATOM 54 CB LYS A 4 -38.387 4.887 -1.515 1.00 0.00 C ATOM 55 CG LYS A 4 -38.040 4.226 -2.850 1.00 0.00 C ATOM 56 CD LYS A 4 -39.159 4.495 -3.858 1.00 0.00 C ATOM 57 CE LYS A 4 -38.815 3.832 -5.194 1.00 0.00 C ATOM 58 NZ LYS A 4 -39.910 4.088 -6.172 1.00 0.00 N ATOM 0 H LYS A 4 -37.961 2.806 0.292 1.00 0.00 H new ATOM 0 HA LYS A 4 -36.317 4.954 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -39.332 4.495 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -38.519 5.960 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -37.095 4.617 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -37.909 3.153 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -40.104 4.106 -3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -39.288 5.569 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -37.873 4.225 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -38.680 2.759 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -39.677 3.638 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -40.800 3.692 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -40.018 5.113 -6.312 1.00 0.00 H new ATOM 72 N GLN A 5 -37.020 6.616 0.850 1.00 0.00 N ATOM 73 CA GLN A 5 -37.222 7.460 2.024 1.00 0.00 C ATOM 74 C GLN A 5 -36.761 6.748 3.293 1.00 0.00 C ATOM 75 O GLN A 5 -37.488 5.927 3.854 1.00 0.00 O ATOM 76 CB GLN A 5 -38.700 7.828 2.153 1.00 0.00 C ATOM 77 CG GLN A 5 -38.887 8.778 3.337 1.00 0.00 C ATOM 78 CD GLN A 5 -40.348 9.204 3.437 1.00 0.00 C ATOM 79 OE1 GLN A 5 -41.162 8.841 2.588 1.00 0.00 O ATOM 80 NE2 GLN A 5 -40.731 9.958 4.431 1.00 0.00 N ATOM 0 H GLN A 5 -36.454 7.040 0.115 1.00 0.00 H new ATOM 0 HA GLN A 5 -36.629 8.366 1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -39.050 8.300 1.235 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -39.299 6.928 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -38.579 8.287 4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -38.251 9.655 3.214 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -40.055 10.258 5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -41.706 10.247 4.505 1.00 0.00 H new ATOM 89 N LYS A 6 -35.555 7.075 3.745 1.00 0.00 N ATOM 90 CA LYS A 6 -35.015 6.465 4.955 1.00 0.00 C ATOM 91 C LYS A 6 -34.060 7.428 5.655 1.00 0.00 C ATOM 92 O LYS A 6 -33.520 8.342 5.032 1.00 0.00 O ATOM 93 CB LYS A 6 -34.277 5.171 4.604 1.00 0.00 C ATOM 94 CG LYS A 6 -33.068 5.491 3.723 1.00 0.00 C ATOM 95 CD LYS A 6 -32.342 4.193 3.361 1.00 0.00 C ATOM 96 CE LYS A 6 -31.132 4.511 2.481 1.00 0.00 C ATOM 97 NZ LYS A 6 -30.423 3.247 2.136 1.00 0.00 N ATOM 0 H LYS A 6 -34.938 7.752 3.297 1.00 0.00 H new ATOM 0 HA LYS A 6 -35.842 6.237 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -33.953 4.667 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -34.948 4.488 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -33.390 6.005 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -32.391 6.165 4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -32.021 3.679 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -33.019 3.520 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -31.453 5.020 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -30.457 5.188 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -29.600 3.463 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -30.104 2.779 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -31.070 2.616 1.621 1.00 0.00 H new ATOM 111 N ASP A 7 -33.862 7.218 6.951 1.00 0.00 N ATOM 112 CA ASP A 7 -32.972 8.077 7.725 1.00 0.00 C ATOM 113 C ASP A 7 -31.888 7.243 8.403 1.00 0.00 C ATOM 114 O ASP A 7 -32.152 6.537 9.376 1.00 0.00 O ATOM 115 CB ASP A 7 -33.779 8.837 8.780 1.00 0.00 C ATOM 116 CG ASP A 7 -32.879 9.794 9.559 1.00 0.00 C ATOM 117 OD1 ASP A 7 -31.683 9.792 9.316 1.00 0.00 O ATOM 118 OD2 ASP A 7 -33.401 10.519 10.390 1.00 0.00 O ATOM 0 H ASP A 7 -34.301 6.468 7.485 1.00 0.00 H new ATOM 0 HA ASP A 7 -32.495 8.790 7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -34.582 9.395 8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -34.248 8.131 9.465 1.00 0.00 H new ATOM 123 N ALA A 8 -30.665 7.333 7.887 1.00 0.00 N ATOM 124 CA ALA A 8 -29.552 6.584 8.458 1.00 0.00 C ATOM 125 C ALA A 8 -28.242 7.344 8.273 1.00 0.00 C ATOM 126 O ALA A 8 -28.075 8.087 7.307 1.00 0.00 O ATOM 127 CB ALA A 8 -29.447 5.213 7.789 1.00 0.00 C ATOM 0 H ALA A 8 -30.422 7.911 7.083 1.00 0.00 H new ATOM 0 HA ALA A 8 -29.736 6.455 9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -28.613 4.660 8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.372 4.658 7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -29.281 5.342 6.719 1.00 0.00 H new ATOM 133 N VAL A 9 -27.315 7.151 9.207 1.00 0.00 N ATOM 134 CA VAL A 9 -26.022 7.821 9.138 1.00 0.00 C ATOM 135 C VAL A 9 -24.888 6.801 9.163 1.00 0.00 C ATOM 136 O VAL A 9 -24.830 5.947 10.049 1.00 0.00 O ATOM 137 CB VAL A 9 -25.870 8.784 10.316 1.00 0.00 C ATOM 138 CG1 VAL A 9 -24.499 9.459 10.252 1.00 0.00 C ATOM 139 CG2 VAL A 9 -26.965 9.851 10.246 1.00 0.00 C ATOM 0 H VAL A 9 -27.434 6.540 10.015 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.973 8.380 8.203 1.00 0.00 H new ATOM 0 HB VAL A 9 -25.959 8.230 11.250 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -24.392 10.145 11.092 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -23.717 8.701 10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.409 10.013 9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -26.858 10.538 11.085 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -26.875 10.404 9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -27.943 9.372 10.292 1.00 0.00 H new ATOM 149 N SER A 10 -23.987 6.896 8.191 1.00 0.00 N ATOM 150 CA SER A 10 -22.859 5.974 8.120 1.00 0.00 C ATOM 151 C SER A 10 -21.689 6.610 7.376 1.00 0.00 C ATOM 152 O SER A 10 -21.862 7.585 6.645 1.00 0.00 O ATOM 153 CB SER A 10 -23.280 4.689 7.407 1.00 0.00 C ATOM 154 OG SER A 10 -23.574 4.981 6.046 1.00 0.00 O ATOM 0 H SER A 10 -24.014 7.595 7.448 1.00 0.00 H new ATOM 0 HA SER A 10 -22.543 5.740 9.137 1.00 0.00 H new ATOM 0 HB2 SER A 10 -22.483 3.948 7.468 1.00 0.00 H new ATOM 0 HB3 SER A 10 -24.154 4.258 7.895 1.00 0.00 H new ATOM 0 HG SER A 10 -23.843 4.159 5.586 1.00 0.00 H new ATOM 160 N ASP A 11 -20.500 6.049 7.568 1.00 0.00 N ATOM 161 CA ASP A 11 -19.305 6.565 6.909 1.00 0.00 C ATOM 162 C ASP A 11 -19.165 5.991 5.501 1.00 0.00 C ATOM 163 O ASP A 11 -20.014 5.224 5.047 1.00 0.00 O ATOM 164 CB ASP A 11 -18.061 6.230 7.743 1.00 0.00 C ATOM 165 CG ASP A 11 -17.826 4.719 7.785 1.00 0.00 C ATOM 166 OD1 ASP A 11 -18.630 3.989 7.229 1.00 0.00 O ATOM 167 OD2 ASP A 11 -16.839 4.314 8.377 1.00 0.00 O ATOM 0 H ASP A 11 -20.338 5.242 8.170 1.00 0.00 H new ATOM 0 HA ASP A 11 -19.400 7.648 6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -17.188 6.727 7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -18.183 6.612 8.757 1.00 0.00 H new ATOM 172 N THR A 12 -18.088 6.366 4.818 1.00 0.00 N ATOM 173 CA THR A 12 -17.848 5.879 3.465 1.00 0.00 C ATOM 174 C THR A 12 -16.351 5.765 3.194 1.00 0.00 C ATOM 175 O THR A 12 -15.548 6.495 3.775 1.00 0.00 O ATOM 176 CB THR A 12 -18.482 6.830 2.446 1.00 0.00 C ATOM 177 OG1 THR A 12 -18.354 6.279 1.143 1.00 0.00 O ATOM 178 CG2 THR A 12 -17.776 8.185 2.502 1.00 0.00 C ATOM 0 H THR A 12 -17.373 7.000 5.176 1.00 0.00 H new ATOM 0 HA THR A 12 -18.300 4.892 3.370 1.00 0.00 H new ATOM 0 HB THR A 12 -19.538 6.964 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 12 -18.761 6.886 0.490 1.00 0.00 H new ATOM 0 HG21 THR A 12 -18.228 8.861 1.776 1.00 0.00 H new ATOM 0 HG22 THR A 12 -17.876 8.606 3.502 1.00 0.00 H new ATOM 0 HG23 THR A 12 -16.720 8.055 2.267 1.00 0.00 H new ATOM 186 N GLY A 13 -15.985 4.845 2.309 1.00 0.00 N ATOM 187 CA GLY A 13 -14.581 4.642 1.967 1.00 0.00 C ATOM 188 C GLY A 13 -14.315 4.971 0.517 1.00 0.00 C ATOM 189 O GLY A 13 -14.689 6.040 0.034 1.00 0.00 O ATOM 0 H GLY A 13 -16.635 4.231 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.955 5.267 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -14.303 3.607 2.164 1.00 0.00 H new ATOM 193 N THR A 14 -13.634 4.042 -0.153 1.00 0.00 N ATOM 194 CA THR A 14 -13.259 4.209 -1.547 1.00 0.00 C ATOM 195 C THR A 14 -12.117 5.203 -1.621 1.00 0.00 C ATOM 196 O THR A 14 -10.996 4.855 -1.988 1.00 0.00 O ATOM 197 CB THR A 14 -14.446 4.699 -2.386 1.00 0.00 C ATOM 198 OG1 THR A 14 -15.631 4.049 -1.951 1.00 0.00 O ATOM 199 CG2 THR A 14 -14.198 4.381 -3.861 1.00 0.00 C ATOM 0 H THR A 14 -13.330 3.159 0.257 1.00 0.00 H new ATOM 0 HA THR A 14 -12.948 3.247 -1.954 1.00 0.00 H new ATOM 0 HB THR A 14 -14.557 5.776 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.391 4.362 -2.485 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.042 4.730 -4.455 1.00 0.00 H new ATOM 0 HG22 THR A 14 -13.289 4.882 -4.193 1.00 0.00 H new ATOM 0 HG23 THR A 14 -14.086 3.304 -3.987 1.00 0.00 H new ATOM 207 N ALA A 15 -12.390 6.437 -1.234 1.00 0.00 N ATOM 208 CA ALA A 15 -11.346 7.443 -1.224 1.00 0.00 C ATOM 209 C ALA A 15 -10.311 7.076 -0.181 1.00 0.00 C ATOM 210 O ALA A 15 -9.106 7.183 -0.407 1.00 0.00 O ATOM 211 CB ALA A 15 -11.928 8.827 -0.933 1.00 0.00 C ATOM 0 H ALA A 15 -13.308 6.761 -0.928 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.876 7.478 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.126 9.566 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.656 9.085 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.417 8.819 0.041 1.00 0.00 H new ATOM 217 N ALA A 16 -10.807 6.620 0.959 1.00 0.00 N ATOM 218 CA ALA A 16 -9.943 6.206 2.045 1.00 0.00 C ATOM 219 C ALA A 16 -9.106 5.032 1.609 1.00 0.00 C ATOM 220 O ALA A 16 -7.939 4.913 1.966 1.00 0.00 O ATOM 221 CB ALA A 16 -10.763 5.848 3.285 1.00 0.00 C ATOM 0 H ALA A 16 -11.804 6.529 1.153 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.285 7.035 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.093 5.540 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.337 6.718 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.444 5.031 3.047 1.00 0.00 H new ATOM 227 N VAL A 17 -9.721 4.163 0.834 1.00 0.00 N ATOM 228 CA VAL A 17 -9.029 2.983 0.342 1.00 0.00 C ATOM 229 C VAL A 17 -7.833 3.393 -0.482 1.00 0.00 C ATOM 230 O VAL A 17 -6.753 2.810 -0.384 1.00 0.00 O ATOM 231 CB VAL A 17 -9.969 2.163 -0.533 1.00 0.00 C ATOM 232 CG1 VAL A 17 -9.183 1.077 -1.262 1.00 0.00 C ATOM 233 CG2 VAL A 17 -11.036 1.509 0.339 1.00 0.00 C ATOM 0 H VAL A 17 -10.691 4.247 0.531 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.701 2.388 1.195 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.441 2.821 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.861 0.494 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.420 1.539 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.707 0.421 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.708 0.922 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.559 0.856 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.605 2.280 0.858 1.00 0.00 H new ATOM 243 N VAL A 18 -8.039 4.387 -1.311 1.00 0.00 N ATOM 244 CA VAL A 18 -6.972 4.859 -2.160 1.00 0.00 C ATOM 245 C VAL A 18 -5.855 5.468 -1.316 1.00 0.00 C ATOM 246 O VAL A 18 -4.673 5.220 -1.549 1.00 0.00 O ATOM 247 CB VAL A 18 -7.529 5.855 -3.179 1.00 0.00 C ATOM 248 CG1 VAL A 18 -6.384 6.518 -3.945 1.00 0.00 C ATOM 249 CG2 VAL A 18 -8.432 5.095 -4.165 1.00 0.00 C ATOM 0 H VAL A 18 -8.925 4.881 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.541 4.022 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.099 6.627 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.791 7.225 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.736 7.047 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.807 5.756 -4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.837 5.792 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.849 4.329 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.251 4.625 -3.620 1.00 0.00 H new ATOM 259 N LYS A 19 -6.253 6.271 -0.338 1.00 0.00 N ATOM 260 CA LYS A 19 -5.309 6.937 0.558 1.00 0.00 C ATOM 261 C LYS A 19 -4.506 5.966 1.440 1.00 0.00 C ATOM 262 O LYS A 19 -3.308 6.171 1.648 1.00 0.00 O ATOM 263 CB LYS A 19 -6.075 7.922 1.450 1.00 0.00 C ATOM 264 CG LYS A 19 -5.114 8.650 2.403 1.00 0.00 C ATOM 265 CD LYS A 19 -4.134 9.513 1.604 1.00 0.00 C ATOM 266 CE LYS A 19 -3.262 10.319 2.568 1.00 0.00 C ATOM 267 NZ LYS A 19 -2.305 11.157 1.792 1.00 0.00 N ATOM 0 H LYS A 19 -7.232 6.480 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.585 7.454 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.601 8.648 0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.831 7.388 2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.679 9.274 3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.566 7.924 3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.509 8.882 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.680 10.185 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.887 10.952 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.718 9.647 3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.712 11.705 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.700 10.544 1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.833 11.808 1.177 1.00 0.00 H new ATOM 281 N VAL A 20 -5.163 4.947 2.003 1.00 0.00 N ATOM 282 CA VAL A 20 -4.480 4.024 2.905 1.00 0.00 C ATOM 283 C VAL A 20 -3.542 3.043 2.193 1.00 0.00 C ATOM 284 O VAL A 20 -2.385 2.893 2.585 1.00 0.00 O ATOM 285 CB VAL A 20 -5.536 3.267 3.716 1.00 0.00 C ATOM 286 CG1 VAL A 20 -6.301 4.285 4.577 1.00 0.00 C ATOM 287 CG2 VAL A 20 -6.530 2.513 2.791 1.00 0.00 C ATOM 0 H VAL A 20 -6.151 4.745 1.852 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.837 4.616 3.557 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.040 2.524 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.060 3.768 5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.605 4.790 5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.781 5.020 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.266 1.987 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.039 3.228 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.984 1.795 2.179 1.00 0.00 H new ATOM 297 N VAL A 21 -4.046 2.358 1.181 1.00 0.00 N ATOM 298 CA VAL A 21 -3.231 1.375 0.479 1.00 0.00 C ATOM 299 C VAL A 21 -2.039 2.035 -0.195 1.00 0.00 C ATOM 300 O VAL A 21 -0.934 1.521 -0.126 1.00 0.00 O ATOM 301 CB VAL A 21 -4.078 0.613 -0.543 1.00 0.00 C ATOM 302 CG1 VAL A 21 -3.190 -0.290 -1.426 1.00 0.00 C ATOM 303 CG2 VAL A 21 -5.110 -0.252 0.209 1.00 0.00 C ATOM 0 H VAL A 21 -4.998 2.459 0.830 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.849 0.664 1.211 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.586 1.330 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.813 -0.822 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.464 0.323 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.665 -1.010 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.719 -0.799 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.590 -0.958 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.751 0.390 0.813 1.00 0.00 H new ATOM 313 N GLU A 22 -2.267 3.151 -0.867 1.00 0.00 N ATOM 314 CA GLU A 22 -1.196 3.849 -1.571 1.00 0.00 C ATOM 315 C GLU A 22 -0.099 4.370 -0.640 1.00 0.00 C ATOM 316 O GLU A 22 1.079 4.314 -0.992 1.00 0.00 O ATOM 317 CB GLU A 22 -1.767 5.013 -2.381 1.00 0.00 C ATOM 318 CG GLU A 22 -2.561 4.463 -3.567 1.00 0.00 C ATOM 319 CD GLU A 22 -3.279 5.600 -4.284 1.00 0.00 C ATOM 320 OE1 GLU A 22 -3.353 6.679 -3.718 1.00 0.00 O ATOM 321 OE2 GLU A 22 -3.738 5.378 -5.392 1.00 0.00 O ATOM 0 H GLU A 22 -3.182 3.595 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.736 3.114 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.411 5.628 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.960 5.655 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.891 3.951 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.285 3.726 -3.220 1.00 0.00 H new ATOM 328 N SER A 23 -0.460 4.859 0.546 1.00 0.00 N ATOM 329 CA SER A 23 0.562 5.348 1.472 1.00 0.00 C ATOM 330 C SER A 23 1.460 4.205 1.937 1.00 0.00 C ATOM 331 O SER A 23 2.687 4.297 1.885 1.00 0.00 O ATOM 332 CB SER A 23 -0.100 6.006 2.683 1.00 0.00 C ATOM 333 OG SER A 23 0.906 6.462 3.578 1.00 0.00 O ATOM 0 H SER A 23 -1.421 4.927 0.882 1.00 0.00 H new ATOM 0 HA SER A 23 1.174 6.083 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.723 6.841 2.362 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.755 5.294 3.186 1.00 0.00 H new ATOM 0 HG SER A 23 0.485 6.886 4.355 1.00 0.00 H new ATOM 339 N GLN A 24 0.827 3.125 2.382 1.00 0.00 N ATOM 340 CA GLN A 24 1.551 1.947 2.851 1.00 0.00 C ATOM 341 C GLN A 24 2.276 1.272 1.695 1.00 0.00 C ATOM 342 O GLN A 24 3.378 0.754 1.852 1.00 0.00 O ATOM 343 CB GLN A 24 0.579 0.959 3.504 1.00 0.00 C ATOM 344 CG GLN A 24 0.033 1.555 4.806 1.00 0.00 C ATOM 345 CD GLN A 24 1.172 1.816 5.788 1.00 0.00 C ATOM 346 OE1 GLN A 24 2.006 0.940 6.018 1.00 0.00 O ATOM 347 NE2 GLN A 24 1.258 2.975 6.380 1.00 0.00 N ATOM 0 H GLN A 24 -0.188 3.040 2.428 1.00 0.00 H new ATOM 0 HA GLN A 24 2.288 2.264 3.589 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.242 0.737 2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.087 0.016 3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.495 2.485 4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.691 0.872 5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.566 3.699 6.187 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.018 3.158 7.036 1.00 0.00 H new ATOM 356 N ALA A 25 1.615 1.252 0.547 1.00 0.00 N ATOM 357 CA ALA A 25 2.157 0.606 -0.638 1.00 0.00 C ATOM 358 C ALA A 25 3.480 1.246 -1.016 1.00 0.00 C ATOM 359 O ALA A 25 4.444 0.567 -1.348 1.00 0.00 O ATOM 360 CB ALA A 25 1.193 0.772 -1.811 1.00 0.00 C ATOM 0 H ALA A 25 0.698 1.678 0.411 1.00 0.00 H new ATOM 0 HA ALA A 25 2.300 -0.452 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.607 0.285 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.235 0.317 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.048 1.833 -2.016 1.00 0.00 H new ATOM 366 N GLU A 26 3.511 2.563 -0.939 1.00 0.00 N ATOM 367 CA GLU A 26 4.710 3.313 -1.254 1.00 0.00 C ATOM 368 C GLU A 26 5.808 2.986 -0.265 1.00 0.00 C ATOM 369 O GLU A 26 6.972 2.830 -0.635 1.00 0.00 O ATOM 370 CB GLU A 26 4.417 4.813 -1.215 1.00 0.00 C ATOM 371 CG GLU A 26 5.687 5.586 -1.574 1.00 0.00 C ATOM 372 CD GLU A 26 5.395 7.083 -1.604 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.258 7.451 -1.355 1.00 0.00 O ATOM 374 OE2 GLU A 26 6.313 7.840 -1.876 1.00 0.00 O ATOM 0 H GLU A 26 2.715 3.137 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 26 5.038 3.036 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.619 5.057 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.070 5.102 -0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.470 5.374 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.059 5.260 -2.545 1.00 0.00 H new ATOM 381 N LEU A 27 5.427 2.887 1.000 1.00 0.00 N ATOM 382 CA LEU A 27 6.379 2.582 2.056 1.00 0.00 C ATOM 383 C LEU A 27 6.915 1.155 1.954 1.00 0.00 C ATOM 384 O LEU A 27 8.094 0.915 2.198 1.00 0.00 O ATOM 385 CB LEU A 27 5.747 2.770 3.433 1.00 0.00 C ATOM 386 CG LEU A 27 6.798 2.478 4.511 1.00 0.00 C ATOM 387 CD1 LEU A 27 7.928 3.511 4.432 1.00 0.00 C ATOM 388 CD2 LEU A 27 6.143 2.532 5.894 1.00 0.00 C ATOM 0 H LEU A 27 4.467 3.013 1.319 1.00 0.00 H new ATOM 0 HA LEU A 27 7.209 3.277 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.372 3.788 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.893 2.102 3.549 1.00 0.00 H new ATOM 0 HG LEU A 27 7.214 1.484 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.671 3.297 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.398 3.462 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.520 4.509 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.891 2.324 6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.721 3.524 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.350 1.787 5.950 1.00 0.00 H new ATOM 400 N TYR A 28 6.053 0.216 1.580 1.00 0.00 N ATOM 401 CA TYR A 28 6.480 -1.162 1.440 1.00 0.00 C ATOM 402 C TYR A 28 7.421 -1.213 0.268 1.00 0.00 C ATOM 403 O TYR A 28 8.426 -1.903 0.289 1.00 0.00 O ATOM 404 CB TYR A 28 5.302 -2.130 1.288 1.00 0.00 C ATOM 405 CG TYR A 28 5.823 -3.547 1.382 1.00 0.00 C ATOM 406 CD1 TYR A 28 5.894 -4.179 2.629 1.00 0.00 C ATOM 407 CD2 TYR A 28 6.248 -4.221 0.232 1.00 0.00 C ATOM 408 CE1 TYR A 28 6.387 -5.487 2.725 1.00 0.00 C ATOM 409 CE2 TYR A 28 6.739 -5.529 0.327 1.00 0.00 C ATOM 410 CZ TYR A 28 6.807 -6.162 1.573 1.00 0.00 C ATOM 411 OH TYR A 28 7.293 -7.450 1.668 1.00 0.00 O ATOM 0 H TYR A 28 5.069 0.385 1.372 1.00 0.00 H new ATOM 0 HA TYR A 28 6.987 -1.492 2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.560 -1.948 2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.805 -1.973 0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.569 -3.658 3.517 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.197 -3.732 -0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.443 -5.974 3.687 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.065 -6.049 -0.561 1.00 0.00 H new ATOM 0 HH TYR A 28 7.540 -7.773 0.776 1.00 0.00 H new ATOM 421 N GLU A 29 7.106 -0.423 -0.742 1.00 0.00 N ATOM 422 CA GLU A 29 7.965 -0.321 -1.896 1.00 0.00 C ATOM 423 C GLU A 29 9.287 0.257 -1.469 1.00 0.00 C ATOM 424 O GLU A 29 10.333 -0.162 -1.948 1.00 0.00 O ATOM 425 CB GLU A 29 7.315 0.538 -2.962 1.00 0.00 C ATOM 426 CG GLU A 29 6.172 -0.277 -3.517 1.00 0.00 C ATOM 427 CD GLU A 29 5.210 0.605 -4.304 1.00 0.00 C ATOM 428 OE1 GLU A 29 5.373 1.813 -4.258 1.00 0.00 O ATOM 429 OE2 GLU A 29 4.323 0.059 -4.941 1.00 0.00 O ATOM 0 H GLU A 29 6.265 0.153 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 29 8.129 -1.310 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.956 1.477 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.028 0.793 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.561 -1.065 -4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.639 -0.767 -2.702 1.00 0.00 H new ATOM 436 N LEU A 30 9.270 1.202 -0.531 1.00 0.00 N ATOM 437 CA LEU A 30 10.528 1.726 -0.072 1.00 0.00 C ATOM 438 C LEU A 30 11.283 0.576 0.565 1.00 0.00 C ATOM 439 O LEU A 30 12.450 0.330 0.259 1.00 0.00 O ATOM 440 CB LEU A 30 10.310 2.849 0.948 1.00 0.00 C ATOM 441 CG LEU A 30 11.660 3.363 1.457 1.00 0.00 C ATOM 442 CD1 LEU A 30 12.470 3.942 0.294 1.00 0.00 C ATOM 443 CD2 LEU A 30 11.426 4.455 2.504 1.00 0.00 C ATOM 0 H LEU A 30 8.435 1.597 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 30 11.091 2.149 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.750 3.664 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.713 2.482 1.783 1.00 0.00 H new ATOM 0 HG LEU A 30 12.213 2.536 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.429 4.306 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.640 3.166 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.919 4.767 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.386 4.822 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.870 5.277 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.856 4.044 3.337 1.00 0.00 H new ATOM 455 N LYS A 31 10.577 -0.158 1.429 1.00 0.00 N ATOM 456 CA LYS A 31 11.168 -1.326 2.075 1.00 0.00 C ATOM 457 C LYS A 31 11.801 -2.220 1.020 1.00 0.00 C ATOM 458 O LYS A 31 12.957 -2.629 1.132 1.00 0.00 O ATOM 459 CB LYS A 31 10.123 -2.104 2.888 1.00 0.00 C ATOM 460 CG LYS A 31 10.774 -3.331 3.539 1.00 0.00 C ATOM 461 CD LYS A 31 11.840 -2.883 4.541 1.00 0.00 C ATOM 462 CE LYS A 31 12.299 -4.084 5.369 1.00 0.00 C ATOM 463 NZ LYS A 31 12.931 -5.093 4.473 1.00 0.00 N ATOM 0 H LYS A 31 9.610 0.034 1.693 1.00 0.00 H new ATOM 0 HA LYS A 31 11.936 -0.988 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.693 -1.460 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.305 -2.417 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.017 -3.931 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.224 -3.964 2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.688 -2.445 4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.437 -2.110 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.009 -3.764 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.450 -4.526 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.421 -5.809 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.198 -5.554 3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.616 -4.622 3.848 1.00 0.00 H new ATOM 477 N ASN A 32 11.010 -2.508 -0.016 1.00 0.00 N ATOM 478 CA ASN A 32 11.468 -3.349 -1.124 1.00 0.00 C ATOM 479 C ASN A 32 11.196 -2.662 -2.458 1.00 0.00 C ATOM 480 O ASN A 32 10.151 -2.868 -3.067 1.00 0.00 O ATOM 481 CB ASN A 32 10.750 -4.700 -1.085 1.00 0.00 C ATOM 482 CG ASN A 32 11.040 -5.407 0.233 1.00 0.00 C ATOM 483 OD1 ASN A 32 12.181 -5.417 0.697 1.00 0.00 O ATOM 484 ND2 ASN A 32 10.069 -6.004 0.870 1.00 0.00 N ATOM 0 H ASN A 32 10.052 -2.172 -0.111 1.00 0.00 H new ATOM 0 HA ASN A 32 12.541 -3.508 -1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.676 -4.554 -1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 32 11.078 -5.320 -1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.255 -6.479 1.753 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.125 -5.995 0.485 1.00 0.00 H new ATOM 491 N THR A 33 12.129 -1.829 -2.891 1.00 0.00 N ATOM 492 CA THR A 33 11.972 -1.091 -4.144 1.00 0.00 C ATOM 493 C THR A 33 11.972 -2.011 -5.363 1.00 0.00 C ATOM 494 O THR A 33 11.231 -1.785 -6.320 1.00 0.00 O ATOM 495 CB THR A 33 13.088 -0.054 -4.284 1.00 0.00 C ATOM 496 OG1 THR A 33 13.020 0.861 -3.199 1.00 0.00 O ATOM 497 CG2 THR A 33 12.923 0.702 -5.603 1.00 0.00 C ATOM 0 H THR A 33 13.003 -1.644 -2.398 1.00 0.00 H new ATOM 0 HA THR A 33 11.003 -0.594 -4.106 1.00 0.00 H new ATOM 0 HB THR A 33 14.055 -0.557 -4.276 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.211 0.687 -2.675 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.719 1.440 -5.701 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.976 -0.001 -6.434 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.957 1.206 -5.615 1.00 0.00 H new ATOM 505 N ASN A 34 12.831 -3.021 -5.344 1.00 0.00 N ATOM 506 CA ASN A 34 12.950 -3.936 -6.475 1.00 0.00 C ATOM 507 C ASN A 34 11.620 -4.618 -6.785 1.00 0.00 C ATOM 508 O ASN A 34 11.272 -4.802 -7.951 1.00 0.00 O ATOM 509 CB ASN A 34 14.007 -5.000 -6.173 1.00 0.00 C ATOM 510 CG ASN A 34 14.319 -5.797 -7.435 1.00 0.00 C ATOM 511 OD1 ASN A 34 14.307 -5.247 -8.536 1.00 0.00 O ATOM 512 ND2 ASN A 34 14.598 -7.068 -7.340 1.00 0.00 N ATOM 0 H ASN A 34 13.453 -3.228 -4.563 1.00 0.00 H new ATOM 0 HA ASN A 34 13.247 -3.352 -7.346 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.915 -4.527 -5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.649 -5.668 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.807 -7.608 -8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.607 -7.521 -6.426 1.00 0.00 H new ATOM 519 N GLU A 35 10.879 -4.992 -5.752 1.00 0.00 N ATOM 520 CA GLU A 35 9.591 -5.650 -5.960 1.00 0.00 C ATOM 521 C GLU A 35 8.459 -4.709 -5.588 1.00 0.00 C ATOM 522 O GLU A 35 8.551 -3.987 -4.599 1.00 0.00 O ATOM 523 CB GLU A 35 9.489 -6.898 -5.086 1.00 0.00 C ATOM 524 CG GLU A 35 10.577 -7.897 -5.485 1.00 0.00 C ATOM 525 CD GLU A 35 10.487 -9.143 -4.611 1.00 0.00 C ATOM 526 OE1 GLU A 35 9.666 -9.151 -3.709 1.00 0.00 O ATOM 527 OE2 GLU A 35 11.239 -10.071 -4.857 1.00 0.00 O ATOM 0 H GLU A 35 11.139 -4.856 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 35 9.515 -5.927 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.597 -6.628 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.505 -7.353 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.464 -8.170 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.560 -7.438 -5.379 1.00 0.00 H new ATOM 534 N LYS A 36 7.377 -4.725 -6.355 1.00 0.00 N ATOM 535 CA LYS A 36 6.262 -3.874 -6.038 1.00 0.00 C ATOM 536 C LYS A 36 5.316 -4.608 -5.118 1.00 0.00 C ATOM 537 O LYS A 36 4.828 -5.688 -5.452 1.00 0.00 O ATOM 538 CB LYS A 36 5.509 -3.477 -7.301 1.00 0.00 C ATOM 539 CG LYS A 36 5.972 -2.096 -7.766 1.00 0.00 C ATOM 540 CD LYS A 36 7.498 -2.076 -7.866 1.00 0.00 C ATOM 541 CE LYS A 36 7.929 -1.036 -8.902 1.00 0.00 C ATOM 542 NZ LYS A 36 7.441 0.311 -8.487 1.00 0.00 N ATOM 0 H LYS A 36 7.257 -5.309 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 36 6.642 -2.975 -5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.683 -4.213 -8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.436 -3.465 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.530 -1.860 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.633 -1.332 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.933 -1.840 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.867 -3.062 -8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.015 -1.028 -8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.527 -1.294 -9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.935 1.043 -9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.418 0.379 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.629 0.451 -7.474 1.00 0.00 H new ATOM 556 N ALA A 37 5.079 -4.025 -3.957 1.00 0.00 N ATOM 557 CA ALA A 37 4.190 -4.624 -2.973 1.00 0.00 C ATOM 558 C ALA A 37 2.850 -4.961 -3.599 1.00 0.00 C ATOM 559 O ALA A 37 2.656 -4.837 -4.807 1.00 0.00 O ATOM 560 CB ALA A 37 3.949 -3.643 -1.817 1.00 0.00 C ATOM 0 H ALA A 37 5.489 -3.136 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 37 4.662 -5.535 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.283 -4.100 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.899 -3.401 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.494 -2.731 -2.203 1.00 0.00 H new ATOM 566 N SER A 38 1.915 -5.384 -2.774 1.00 0.00 N ATOM 567 CA SER A 38 0.596 -5.695 -3.272 1.00 0.00 C ATOM 568 C SER A 38 -0.386 -5.687 -2.122 1.00 0.00 C ATOM 569 O SER A 38 0.006 -5.663 -0.961 1.00 0.00 O ATOM 570 CB SER A 38 0.586 -7.055 -3.954 1.00 0.00 C ATOM 571 OG SER A 38 0.747 -8.074 -2.978 1.00 0.00 O ATOM 0 H SER A 38 2.042 -5.518 -1.771 1.00 0.00 H new ATOM 0 HA SER A 38 0.308 -4.943 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.351 -7.197 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.388 -7.111 -4.690 1.00 0.00 H new ATOM 0 HG SER A 38 0.739 -8.951 -3.416 1.00 0.00 H new ATOM 577 N LEU A 39 -1.656 -5.722 -2.447 1.00 0.00 N ATOM 578 CA LEU A 39 -2.666 -5.736 -1.406 1.00 0.00 C ATOM 579 C LEU A 39 -2.455 -6.967 -0.546 1.00 0.00 C ATOM 580 O LEU A 39 -2.545 -6.907 0.673 1.00 0.00 O ATOM 581 CB LEU A 39 -4.066 -5.738 -2.020 1.00 0.00 C ATOM 582 CG LEU A 39 -4.374 -4.355 -2.602 1.00 0.00 C ATOM 583 CD1 LEU A 39 -5.566 -4.447 -3.540 1.00 0.00 C ATOM 584 CD2 LEU A 39 -4.706 -3.387 -1.460 1.00 0.00 C ATOM 0 H LEU A 39 -2.014 -5.741 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.576 -4.841 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.130 -6.495 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.806 -5.998 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.505 -3.994 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.782 -3.461 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.338 -5.137 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.435 -4.809 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.926 -2.402 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.574 -3.754 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.854 -3.316 -0.784 1.00 0.00 H new ATOM 596 N SER A 40 -2.133 -8.073 -1.187 1.00 0.00 N ATOM 597 CA SER A 40 -1.872 -9.302 -0.458 1.00 0.00 C ATOM 598 C SER A 40 -0.657 -9.135 0.460 1.00 0.00 C ATOM 599 O SER A 40 -0.642 -9.641 1.582 1.00 0.00 O ATOM 600 CB SER A 40 -1.619 -10.447 -1.439 1.00 0.00 C ATOM 601 OG SER A 40 -2.810 -10.711 -2.170 1.00 0.00 O ATOM 0 H SER A 40 -2.046 -8.148 -2.200 1.00 0.00 H new ATOM 0 HA SER A 40 -2.745 -9.533 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.810 -10.185 -2.121 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.304 -11.340 -0.900 1.00 0.00 H new ATOM 0 HG SER A 40 -2.651 -11.444 -2.801 1.00 0.00 H new ATOM 607 N LYS A 41 0.378 -8.451 -0.031 1.00 0.00 N ATOM 608 CA LYS A 41 1.595 -8.259 0.760 1.00 0.00 C ATOM 609 C LYS A 41 1.421 -7.272 1.907 1.00 0.00 C ATOM 610 O LYS A 41 1.867 -7.521 3.024 1.00 0.00 O ATOM 611 CB LYS A 41 2.718 -7.764 -0.147 1.00 0.00 C ATOM 612 CG LYS A 41 3.134 -8.874 -1.110 1.00 0.00 C ATOM 613 CD LYS A 41 4.252 -8.358 -2.017 1.00 0.00 C ATOM 614 CE LYS A 41 4.668 -9.462 -2.988 1.00 0.00 C ATOM 615 NZ LYS A 41 5.754 -8.959 -3.877 1.00 0.00 N ATOM 0 H LYS A 41 0.399 -8.026 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 41 1.836 -9.227 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.387 -6.890 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.572 -7.452 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.475 -9.747 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.280 -9.191 -1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.912 -7.482 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.107 -8.045 -1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.012 -10.337 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.812 -9.778 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.037 -9.710 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.411 -8.137 -4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.573 -8.678 -3.300 1.00 0.00 H new ATOM 629 N LEU A 42 0.854 -6.120 1.600 1.00 0.00 N ATOM 630 CA LEU A 42 0.715 -5.067 2.564 1.00 0.00 C ATOM 631 C LEU A 42 -0.151 -5.540 3.673 1.00 0.00 C ATOM 632 O LEU A 42 0.002 -5.142 4.827 1.00 0.00 O ATOM 633 CB LEU A 42 0.047 -3.844 1.938 1.00 0.00 C ATOM 634 CG LEU A 42 0.943 -3.220 0.874 1.00 0.00 C ATOM 635 CD1 LEU A 42 0.182 -2.080 0.200 1.00 0.00 C ATOM 636 CD2 LEU A 42 2.208 -2.667 1.528 1.00 0.00 C ATOM 0 H LEU A 42 0.481 -5.897 0.677 1.00 0.00 H new ATOM 0 HA LEU A 42 1.708 -4.796 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.906 -4.132 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.172 -3.108 2.712 1.00 0.00 H new ATOM 0 HG LEU A 42 1.221 -3.973 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.812 -1.624 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.724 -2.471 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.085 -1.330 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.847 -2.222 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.936 -1.909 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.745 -3.476 2.024 1.00 0.00 H new ATOM 648 N VAL A 43 -1.122 -6.339 3.299 1.00 0.00 N ATOM 649 CA VAL A 43 -2.057 -6.784 4.255 1.00 0.00 C ATOM 650 C VAL A 43 -1.500 -7.893 5.078 1.00 0.00 C ATOM 651 O VAL A 43 -1.773 -7.958 6.277 1.00 0.00 O ATOM 652 CB VAL A 43 -3.347 -7.157 3.574 1.00 0.00 C ATOM 653 CG1 VAL A 43 -3.370 -8.632 3.179 1.00 0.00 C ATOM 654 CG2 VAL A 43 -4.526 -6.840 4.495 1.00 0.00 C ATOM 0 H VAL A 43 -1.269 -6.680 2.349 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.274 -5.972 4.949 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.428 -6.570 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.317 -8.863 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.548 -8.838 2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.262 -9.249 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.458 -7.111 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.428 -7.408 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.533 -5.774 4.723 1.00 0.00 H new ATOM 664 N SER A 44 -0.666 -8.746 4.490 1.00 0.00 N ATOM 665 CA SER A 44 -0.086 -9.749 5.319 1.00 0.00 C ATOM 666 C SER A 44 0.733 -8.970 6.327 1.00 0.00 C ATOM 667 O SER A 44 0.558 -9.087 7.541 1.00 0.00 O ATOM 668 CB SER A 44 0.790 -10.710 4.513 1.00 0.00 C ATOM 669 OG SER A 44 1.353 -11.677 5.389 1.00 0.00 O ATOM 0 H SER A 44 -0.400 -8.754 3.505 1.00 0.00 H new ATOM 0 HA SER A 44 -0.840 -10.379 5.792 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.197 -11.202 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.581 -10.159 4.004 1.00 0.00 H new ATOM 0 HG SER A 44 1.914 -12.296 4.876 1.00 0.00 H new ATOM 675 N SER A 45 1.533 -8.067 5.742 1.00 0.00 N ATOM 676 CA SER A 45 2.339 -7.034 6.430 1.00 0.00 C ATOM 677 C SER A 45 1.534 -6.168 7.431 1.00 0.00 C ATOM 678 O SER A 45 2.024 -5.116 7.838 1.00 0.00 O ATOM 679 CB SER A 45 2.986 -6.120 5.391 1.00 0.00 C ATOM 680 OG SER A 45 3.942 -6.861 4.644 1.00 0.00 O ATOM 0 H SER A 45 1.645 -8.031 4.729 1.00 0.00 H new ATOM 0 HA SER A 45 3.088 -7.571 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.226 -5.711 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.468 -5.275 5.883 1.00 0.00 H new ATOM 0 HG SER A 45 3.502 -7.281 3.875 1.00 0.00 H new ATOM 686 N GLY A 46 0.284 -6.553 7.720 1.00 0.00 N ATOM 687 CA GLY A 46 -0.684 -5.789 8.510 1.00 0.00 C ATOM 688 C GLY A 46 -0.535 -4.258 8.450 1.00 0.00 C ATOM 689 O GLY A 46 -1.033 -3.556 9.329 1.00 0.00 O ATOM 0 H GLY A 46 -0.094 -7.443 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.687 -6.051 8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.604 -6.103 9.551 1.00 0.00 H new ATOM 693 N ASN A 47 0.050 -3.735 7.363 1.00 0.00 N ATOM 694 CA ASN A 47 0.122 -2.294 7.166 1.00 0.00 C ATOM 695 C ASN A 47 -1.302 -1.804 7.054 1.00 0.00 C ATOM 696 O ASN A 47 -1.708 -0.783 7.609 1.00 0.00 O ATOM 697 CB ASN A 47 0.854 -2.008 5.849 1.00 0.00 C ATOM 698 CG ASN A 47 2.349 -2.253 6.007 1.00 0.00 C ATOM 699 OD1 ASN A 47 2.909 -3.125 5.344 1.00 0.00 O ATOM 700 ND2 ASN A 47 3.033 -1.532 6.852 1.00 0.00 N ATOM 0 H ASN A 47 0.474 -4.288 6.618 1.00 0.00 H new ATOM 0 HA ASN A 47 0.650 -1.803 7.984 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.456 -2.645 5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.678 -0.976 5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.034 -1.691 6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.566 -0.810 7.401 1.00 0.00 H new ATOM 707 N ILE A 48 -2.038 -2.610 6.317 1.00 0.00 N ATOM 708 CA ILE A 48 -3.435 -2.399 6.061 1.00 0.00 C ATOM 709 C ILE A 48 -4.199 -3.685 6.326 1.00 0.00 C ATOM 710 O ILE A 48 -3.619 -4.771 6.377 1.00 0.00 O ATOM 711 CB ILE A 48 -3.627 -1.936 4.619 1.00 0.00 C ATOM 712 CG1 ILE A 48 -2.867 -2.879 3.694 1.00 0.00 C ATOM 713 CG2 ILE A 48 -3.087 -0.514 4.458 1.00 0.00 C ATOM 714 CD1 ILE A 48 -3.309 -2.657 2.247 1.00 0.00 C ATOM 0 H ILE A 48 -1.666 -3.449 5.872 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.821 -1.625 6.725 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.687 -1.944 4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.795 -2.707 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.050 -3.913 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.226 -0.187 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.625 0.157 5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.025 -0.498 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.762 -3.334 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.378 -2.852 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.103 -1.627 1.958 1.00 0.00 H new ATOM 726 N SER A 49 -5.491 -3.546 6.511 1.00 0.00 N ATOM 727 CA SER A 49 -6.334 -4.692 6.794 1.00 0.00 C ATOM 728 C SER A 49 -7.208 -5.017 5.600 1.00 0.00 C ATOM 729 O SER A 49 -7.432 -4.174 4.754 1.00 0.00 O ATOM 730 CB SER A 49 -7.215 -4.404 8.010 1.00 0.00 C ATOM 731 OG SER A 49 -6.389 -4.202 9.150 1.00 0.00 O ATOM 0 H SER A 49 -5.984 -2.654 6.471 1.00 0.00 H new ATOM 0 HA SER A 49 -5.693 -5.548 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.827 -3.521 7.829 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.898 -5.235 8.184 1.00 0.00 H new ATOM 0 HG SER A 49 -6.950 -4.015 9.932 1.00 0.00 H new ATOM 737 N GLN A 50 -7.655 -6.266 5.538 1.00 0.00 N ATOM 738 CA GLN A 50 -8.496 -6.798 4.441 1.00 0.00 C ATOM 739 C GLN A 50 -9.699 -5.895 4.046 1.00 0.00 C ATOM 740 O GLN A 50 -10.348 -6.136 3.029 1.00 0.00 O ATOM 741 CB GLN A 50 -9.062 -8.120 4.899 1.00 0.00 C ATOM 742 CG GLN A 50 -9.431 -8.975 3.694 1.00 0.00 C ATOM 743 CD GLN A 50 -8.168 -9.505 3.024 1.00 0.00 C ATOM 744 OE1 GLN A 50 -7.093 -9.486 3.622 1.00 0.00 O ATOM 745 NE2 GLN A 50 -8.234 -9.983 1.812 1.00 0.00 N ATOM 0 H GLN A 50 -7.446 -6.960 6.256 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.852 -6.869 3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.332 -8.643 5.516 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.942 -7.952 5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.063 -9.806 4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.010 -8.385 2.983 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.126 -9.998 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.394 -10.342 1.359 1.00 0.00 H new ATOM 754 N LYS A 51 -9.926 -4.828 4.789 1.00 0.00 N ATOM 755 CA LYS A 51 -10.968 -3.876 4.439 1.00 0.00 C ATOM 756 C LYS A 51 -10.346 -2.934 3.435 1.00 0.00 C ATOM 757 O LYS A 51 -10.855 -2.706 2.342 1.00 0.00 O ATOM 758 CB LYS A 51 -11.511 -3.157 5.681 1.00 0.00 C ATOM 759 CG LYS A 51 -10.394 -2.480 6.477 1.00 0.00 C ATOM 760 CD LYS A 51 -10.952 -1.963 7.805 1.00 0.00 C ATOM 761 CE LYS A 51 -11.910 -0.799 7.543 1.00 0.00 C ATOM 762 NZ LYS A 51 -12.399 -0.257 8.843 1.00 0.00 N ATOM 0 H LYS A 51 -9.406 -4.598 5.636 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.839 -4.368 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.245 -2.411 5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.029 -3.873 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.585 -3.187 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.972 -1.655 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.473 -2.765 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.137 -1.637 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.403 -0.017 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.751 -1.135 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.050 0.534 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.897 -1.005 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.591 0.079 9.405 1.00 0.00 H new ATOM 776 N GLN A 52 -9.162 -2.501 3.812 1.00 0.00 N ATOM 777 CA GLN A 52 -8.297 -1.690 2.996 1.00 0.00 C ATOM 778 C GLN A 52 -7.726 -2.518 1.852 1.00 0.00 C ATOM 779 O GLN A 52 -7.492 -2.016 0.752 1.00 0.00 O ATOM 780 CB GLN A 52 -7.139 -1.198 3.869 1.00 0.00 C ATOM 781 CG GLN A 52 -7.592 -0.114 4.854 1.00 0.00 C ATOM 782 CD GLN A 52 -6.477 0.152 5.866 1.00 0.00 C ATOM 783 OE1 GLN A 52 -5.929 -0.788 6.438 1.00 0.00 O ATOM 784 NE2 GLN A 52 -6.089 1.371 6.113 1.00 0.00 N ATOM 0 H GLN A 52 -8.766 -2.714 4.727 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.862 -0.853 2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.717 -2.038 4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.346 -0.804 3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.836 0.802 4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.498 -0.432 5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.540 2.155 5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.334 1.541 6.778 1.00 0.00 H new ATOM 793 N ALA A 53 -7.466 -3.796 2.150 1.00 0.00 N ATOM 794 CA ALA A 53 -6.874 -4.675 1.155 1.00 0.00 C ATOM 795 C ALA A 53 -7.857 -5.062 0.053 1.00 0.00 C ATOM 796 O ALA A 53 -7.554 -4.938 -1.123 1.00 0.00 O ATOM 797 CB ALA A 53 -6.326 -5.938 1.829 1.00 0.00 C ATOM 0 H ALA A 53 -7.654 -4.231 3.053 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.062 -4.121 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.885 -6.590 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.566 -5.660 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.138 -6.463 2.333 1.00 0.00 H new ATOM 803 N ASP A 54 -9.025 -5.547 0.437 1.00 0.00 N ATOM 804 CA ASP A 54 -10.025 -5.967 -0.559 1.00 0.00 C ATOM 805 C ASP A 54 -10.781 -4.829 -1.200 1.00 0.00 C ATOM 806 O ASP A 54 -11.380 -4.996 -2.263 1.00 0.00 O ATOM 807 CB ASP A 54 -11.032 -6.896 0.079 1.00 0.00 C ATOM 808 CG ASP A 54 -10.392 -8.244 0.386 1.00 0.00 C ATOM 809 OD1 ASP A 54 -9.296 -8.480 -0.093 1.00 0.00 O ATOM 810 OD2 ASP A 54 -11.019 -9.031 1.076 1.00 0.00 O ATOM 0 H ASP A 54 -9.311 -5.663 1.409 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.455 -6.462 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.416 -6.451 0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.883 -7.034 -0.588 1.00 0.00 H new ATOM 815 N SER A 55 -10.746 -3.687 -0.582 1.00 0.00 N ATOM 816 CA SER A 55 -11.429 -2.561 -1.150 1.00 0.00 C ATOM 817 C SER A 55 -10.599 -1.944 -2.261 1.00 0.00 C ATOM 818 O SER A 55 -11.124 -1.572 -3.320 1.00 0.00 O ATOM 819 CB SER A 55 -11.762 -1.550 -0.075 1.00 0.00 C ATOM 820 OG SER A 55 -12.720 -2.111 0.813 1.00 0.00 O ATOM 0 H SER A 55 -10.262 -3.510 0.298 1.00 0.00 H new ATOM 0 HA SER A 55 -12.368 -2.900 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.861 -1.272 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.156 -0.639 -0.525 1.00 0.00 H new ATOM 0 HG SER A 55 -12.278 -2.750 1.410 1.00 0.00 H new ATOM 826 N TYR A 56 -9.283 -1.875 -2.062 1.00 0.00 N ATOM 827 CA TYR A 56 -8.423 -1.327 -3.109 1.00 0.00 C ATOM 828 C TYR A 56 -8.393 -2.320 -4.235 1.00 0.00 C ATOM 829 O TYR A 56 -8.303 -1.984 -5.411 1.00 0.00 O ATOM 830 CB TYR A 56 -7.009 -1.120 -2.611 1.00 0.00 C ATOM 831 CG TYR A 56 -6.292 -0.176 -3.546 1.00 0.00 C ATOM 832 CD1 TYR A 56 -6.188 1.184 -3.225 1.00 0.00 C ATOM 833 CD2 TYR A 56 -5.746 -0.649 -4.741 1.00 0.00 C ATOM 834 CE1 TYR A 56 -5.537 2.063 -4.098 1.00 0.00 C ATOM 835 CE2 TYR A 56 -5.097 0.234 -5.609 1.00 0.00 C ATOM 836 CZ TYR A 56 -4.992 1.587 -5.289 1.00 0.00 C ATOM 837 OH TYR A 56 -4.350 2.453 -6.150 1.00 0.00 O ATOM 0 H TYR A 56 -8.802 -2.180 -1.216 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.816 -0.361 -3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.022 -0.712 -1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.483 -2.074 -2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.611 1.554 -2.303 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.825 -1.696 -4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.457 3.111 -3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.675 -0.134 -6.532 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.254 3.329 -5.721 1.00 0.00 H new ATOM 847 N LYS A 57 -8.427 -3.569 -3.825 1.00 0.00 N ATOM 848 CA LYS A 57 -8.370 -4.675 -4.754 1.00 0.00 C ATOM 849 C LYS A 57 -9.477 -4.579 -5.744 1.00 0.00 C ATOM 850 O LYS A 57 -9.261 -4.822 -6.922 1.00 0.00 O ATOM 851 CB LYS A 57 -8.506 -5.998 -4.021 1.00 0.00 C ATOM 852 CG LYS A 57 -8.405 -7.156 -5.017 1.00 0.00 C ATOM 853 CD LYS A 57 -8.503 -8.485 -4.264 1.00 0.00 C ATOM 854 CE LYS A 57 -8.378 -9.643 -5.255 1.00 0.00 C ATOM 855 NZ LYS A 57 -9.518 -9.604 -6.214 1.00 0.00 N ATOM 0 H LYS A 57 -8.494 -3.845 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.407 -4.629 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.726 -6.087 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.462 -6.038 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.203 -7.085 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.461 -7.102 -5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.716 -8.549 -3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.454 -8.546 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.433 -9.573 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.371 -10.593 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.633 -10.539 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.390 -9.351 -5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.328 -8.895 -6.951 1.00 0.00 H new ATOM 869 N ALA A 58 -10.673 -4.228 -5.343 1.00 0.00 N ATOM 870 CA ALA A 58 -11.722 -4.130 -6.303 1.00 0.00 C ATOM 871 C ALA A 58 -11.630 -2.803 -7.049 1.00 0.00 C ATOM 872 O ALA A 58 -12.336 -2.603 -8.037 1.00 0.00 O ATOM 873 CB ALA A 58 -13.049 -4.243 -5.554 1.00 0.00 C ATOM 0 H ALA A 58 -10.933 -4.012 -4.381 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.643 -4.927 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.874 -4.171 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.095 -5.202 -5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.126 -3.436 -4.826 1.00 0.00 H new ATOM 879 N TYR A 59 -10.701 -1.920 -6.643 1.00 0.00 N ATOM 880 CA TYR A 59 -10.505 -0.687 -7.380 1.00 0.00 C ATOM 881 C TYR A 59 -9.813 -1.000 -8.709 1.00 0.00 C ATOM 882 O TYR A 59 -10.176 -0.449 -9.748 1.00 0.00 O ATOM 883 CB TYR A 59 -9.662 0.312 -6.580 1.00 0.00 C ATOM 884 CG TYR A 59 -9.636 1.636 -7.306 1.00 0.00 C ATOM 885 CD1 TYR A 59 -10.708 2.527 -7.171 1.00 0.00 C ATOM 886 CD2 TYR A 59 -8.543 1.972 -8.111 1.00 0.00 C ATOM 887 CE1 TYR A 59 -10.684 3.755 -7.844 1.00 0.00 C ATOM 888 CE2 TYR A 59 -8.520 3.200 -8.784 1.00 0.00 C ATOM 889 CZ TYR A 59 -9.591 4.092 -8.650 1.00 0.00 C ATOM 890 OH TYR A 59 -9.569 5.302 -9.313 1.00 0.00 O ATOM 0 H TYR A 59 -10.096 -2.042 -5.831 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.479 -0.234 -7.562 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.079 0.440 -5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.648 -0.068 -6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.552 2.268 -6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.717 1.284 -8.214 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.510 4.443 -7.741 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.676 3.459 -9.406 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.738 5.378 -9.827 1.00 0.00 H new ATOM 900 N TYR A 60 -8.803 -1.897 -8.669 1.00 0.00 N ATOM 901 CA TYR A 60 -8.084 -2.257 -9.895 1.00 0.00 C ATOM 902 C TYR A 60 -9.011 -3.097 -10.756 1.00 0.00 C ATOM 903 O TYR A 60 -9.008 -3.018 -11.985 1.00 0.00 O ATOM 904 CB TYR A 60 -6.790 -3.032 -9.571 1.00 0.00 C ATOM 905 CG TYR A 60 -6.954 -4.536 -9.731 1.00 0.00 C ATOM 906 CD1 TYR A 60 -6.840 -5.133 -10.998 1.00 0.00 C ATOM 907 CD2 TYR A 60 -7.173 -5.338 -8.611 1.00 0.00 C ATOM 908 CE1 TYR A 60 -6.956 -6.521 -11.136 1.00 0.00 C ATOM 909 CE2 TYR A 60 -7.293 -6.726 -8.747 1.00 0.00 C ATOM 910 CZ TYR A 60 -7.185 -7.318 -10.010 1.00 0.00 C ATOM 911 OH TYR A 60 -7.300 -8.686 -10.144 1.00 0.00 O ATOM 0 H TYR A 60 -8.480 -2.369 -7.824 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.792 -1.353 -10.430 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.990 -2.686 -10.225 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.484 -2.810 -8.549 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.662 -4.519 -11.868 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.250 -4.886 -7.633 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.869 -6.976 -12.111 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.469 -7.340 -7.876 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.456 -9.089 -9.264 1.00 0.00 H new ATOM 921 N GLY A 61 -9.806 -3.898 -10.065 1.00 0.00 N ATOM 922 CA GLY A 61 -10.772 -4.782 -10.685 1.00 0.00 C ATOM 923 C GLY A 61 -11.721 -4.025 -11.609 1.00 0.00 C ATOM 924 O GLY A 61 -12.149 -4.546 -12.639 1.00 0.00 O ATOM 0 H GLY A 61 -9.796 -3.951 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.249 -5.551 -11.253 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.347 -5.292 -9.912 1.00 0.00 H new ATOM 928 N LYS A 62 -12.078 -2.809 -11.212 1.00 0.00 N ATOM 929 CA LYS A 62 -13.017 -2.002 -11.985 1.00 0.00 C ATOM 930 C LYS A 62 -12.543 -1.783 -13.422 1.00 0.00 C ATOM 931 O LYS A 62 -13.335 -1.909 -14.356 1.00 0.00 O ATOM 932 CB LYS A 62 -13.211 -0.645 -11.303 1.00 0.00 C ATOM 933 CG LYS A 62 -14.211 0.195 -12.100 1.00 0.00 C ATOM 934 CD LYS A 62 -14.422 1.539 -11.399 1.00 0.00 C ATOM 935 CE LYS A 62 -15.416 2.382 -12.199 1.00 0.00 C ATOM 936 NZ LYS A 62 -15.629 3.686 -11.510 1.00 0.00 N ATOM 0 H LYS A 62 -11.734 -2.361 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.961 -2.546 -12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.572 -0.788 -10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.257 -0.123 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.842 0.355 -13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.160 -0.335 -12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.796 1.379 -10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.473 2.066 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.038 2.549 -13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.363 1.851 -12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.305 4.260 -12.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.007 3.517 -10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.724 4.193 -11.439 1.00 0.00 H new ATOM 950 N HIS A 63 -11.269 -1.450 -13.616 1.00 0.00 N ATOM 951 CA HIS A 63 -10.778 -1.221 -14.973 1.00 0.00 C ATOM 952 C HIS A 63 -10.077 -2.459 -15.528 1.00 0.00 C ATOM 953 O HIS A 63 -10.635 -3.160 -16.373 1.00 0.00 O ATOM 954 CB HIS A 63 -9.808 -0.035 -14.997 1.00 0.00 C ATOM 955 CG HIS A 63 -10.491 1.181 -14.432 1.00 0.00 C ATOM 956 ND1 HIS A 63 -11.513 1.833 -15.104 1.00 0.00 N ATOM 957 CD2 HIS A 63 -10.309 1.874 -13.261 1.00 0.00 C ATOM 958 CE1 HIS A 63 -11.904 2.869 -14.339 1.00 0.00 C ATOM 959 NE2 HIS A 63 -11.203 2.940 -13.204 1.00 0.00 N ATOM 0 H HIS A 63 -10.576 -1.335 -12.876 1.00 0.00 H new ATOM 0 HA HIS A 63 -11.641 -1.000 -15.601 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.917 -0.268 -14.415 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.480 0.160 -16.018 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -9.583 1.630 -12.500 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.689 3.559 -14.610 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -11.301 3.627 -12.457 1.00 0.00 H new ATOM 968 N SER A 64 -8.859 -2.716 -15.043 1.00 0.00 N ATOM 969 CA SER A 64 -8.069 -3.866 -15.487 1.00 0.00 C ATOM 970 C SER A 64 -6.636 -3.735 -14.970 1.00 0.00 C ATOM 971 O SER A 64 -5.674 -4.044 -15.673 1.00 0.00 O ATOM 972 CB SER A 64 -8.057 -3.945 -17.020 1.00 0.00 C ATOM 973 OG SER A 64 -9.093 -4.818 -17.453 1.00 0.00 O ATOM 0 H SER A 64 -8.397 -2.140 -14.339 1.00 0.00 H new ATOM 0 HA SER A 64 -8.519 -4.776 -15.090 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.199 -2.953 -17.448 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.090 -4.307 -17.370 1.00 0.00 H new ATOM 0 HG SER A 64 -9.954 -4.500 -17.109 1.00 0.00 H new ATOM 979 N GLY A 65 -6.494 -3.258 -13.741 1.00 0.00 N ATOM 980 CA GLY A 65 -5.166 -3.073 -13.169 1.00 0.00 C ATOM 981 C GLY A 65 -4.491 -1.862 -13.800 1.00 0.00 C ATOM 982 O GLY A 65 -3.264 -1.761 -13.820 1.00 0.00 O ATOM 0 H GLY A 65 -7.267 -2.996 -13.129 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.241 -2.937 -12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.562 -3.965 -13.336 1.00 0.00 H new ATOM 986 N GLU A 66 -5.304 -0.957 -14.339 1.00 0.00 N ATOM 987 CA GLU A 66 -4.781 0.230 -14.998 1.00 0.00 C ATOM 988 C GLU A 66 -4.482 1.344 -13.997 1.00 0.00 C ATOM 989 O GLU A 66 -3.822 2.323 -14.345 1.00 0.00 O ATOM 990 CB GLU A 66 -5.807 0.743 -16.008 1.00 0.00 C ATOM 991 CG GLU A 66 -6.043 -0.315 -17.084 1.00 0.00 C ATOM 992 CD GLU A 66 -7.054 0.195 -18.104 1.00 0.00 C ATOM 993 OE1 GLU A 66 -7.577 1.278 -17.902 1.00 0.00 O ATOM 994 OE2 GLU A 66 -7.294 -0.506 -19.074 1.00 0.00 O ATOM 0 H GLU A 66 -6.322 -1.025 -14.331 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.852 -0.047 -15.496 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.744 0.977 -15.502 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.452 1.667 -16.464 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.103 -0.556 -17.581 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.408 -1.235 -16.627 1.00 0.00 H new ATOM 1001 N THR A 67 -4.972 1.211 -12.762 1.00 0.00 N ATOM 1002 CA THR A 67 -4.735 2.252 -11.763 1.00 0.00 C ATOM 1003 C THR A 67 -3.850 1.763 -10.617 1.00 0.00 C ATOM 1004 O THR A 67 -3.084 2.553 -10.071 1.00 0.00 O ATOM 1005 CB THR A 67 -6.072 2.733 -11.195 1.00 0.00 C ATOM 1006 OG1 THR A 67 -6.747 1.640 -10.588 1.00 0.00 O ATOM 1007 CG2 THR A 67 -6.932 3.304 -12.323 1.00 0.00 C ATOM 0 H THR A 67 -5.521 0.415 -12.437 1.00 0.00 H new ATOM 0 HA THR A 67 -4.215 3.070 -12.262 1.00 0.00 H new ATOM 0 HB THR A 67 -5.893 3.509 -10.450 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.155 1.934 -9.747 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.884 3.646 -11.917 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.413 4.143 -12.787 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.113 2.531 -13.070 1.00 0.00 H new ATOM 1015 N GLN A 68 -4.040 0.501 -10.199 1.00 0.00 N ATOM 1016 CA GLN A 68 -3.330 -0.037 -9.046 1.00 0.00 C ATOM 1017 C GLN A 68 -1.898 0.454 -8.940 1.00 0.00 C ATOM 1018 O GLN A 68 -0.970 -0.068 -9.557 1.00 0.00 O ATOM 1019 CB GLN A 68 -3.329 -1.558 -9.080 1.00 0.00 C ATOM 1020 CG GLN A 68 -4.165 -2.094 -7.923 1.00 0.00 C ATOM 1021 CD GLN A 68 -3.368 -2.053 -6.624 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -2.590 -1.126 -6.406 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -3.530 -2.994 -5.736 1.00 0.00 N ATOM 0 H GLN A 68 -4.678 -0.157 -10.646 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.868 0.325 -8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.733 -1.911 -10.029 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.308 -1.933 -9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.074 -1.501 -7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.475 -3.117 -8.134 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.176 -3.762 -5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.011 -2.962 -4.859 1.00 0.00 H new ATOM 1032 N THR A 69 -1.775 1.480 -8.111 1.00 0.00 N ATOM 1033 CA THR A 69 -0.506 2.118 -7.828 1.00 0.00 C ATOM 1034 C THR A 69 0.489 1.072 -7.351 1.00 0.00 C ATOM 1035 O THR A 69 1.701 1.275 -7.429 1.00 0.00 O ATOM 1036 CB THR A 69 -0.682 3.194 -6.754 1.00 0.00 C ATOM 1037 OG1 THR A 69 -1.608 4.168 -7.210 1.00 0.00 O ATOM 1038 CG2 THR A 69 0.666 3.860 -6.470 1.00 0.00 C ATOM 0 H THR A 69 -2.563 1.894 -7.613 1.00 0.00 H new ATOM 0 HA THR A 69 -0.133 2.590 -8.737 1.00 0.00 H new ATOM 0 HB THR A 69 -1.057 2.737 -5.839 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.194 4.434 -6.471 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.539 4.626 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.375 3.111 -6.119 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.045 4.319 -7.383 1.00 0.00 H new ATOM 1046 N VAL A 70 -0.028 -0.054 -6.861 1.00 0.00 N ATOM 1047 CA VAL A 70 0.825 -1.117 -6.387 1.00 0.00 C ATOM 1048 C VAL A 70 0.367 -2.414 -7.045 1.00 0.00 C ATOM 1049 O VAL A 70 -0.796 -2.526 -7.398 1.00 0.00 O ATOM 1050 CB VAL A 70 0.772 -1.170 -4.858 1.00 0.00 C ATOM 1051 CG1 VAL A 70 -0.657 -1.380 -4.356 1.00 0.00 C ATOM 1052 CG2 VAL A 70 1.629 -2.312 -4.376 1.00 0.00 C ATOM 0 H VAL A 70 -1.028 -0.243 -6.786 1.00 0.00 H new ATOM 0 HA VAL A 70 1.868 -0.950 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 70 1.138 -0.219 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.659 -1.413 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.286 -0.557 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.046 -2.320 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.597 -2.357 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.253 -3.248 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.657 -2.158 -4.703 1.00 0.00 H new ATOM 1062 N ALA A 71 1.285 -3.356 -7.285 1.00 0.00 N ATOM 1063 CA ALA A 71 0.921 -4.593 -7.988 1.00 0.00 C ATOM 1064 C ALA A 71 -0.282 -5.298 -7.361 1.00 0.00 C ATOM 1065 O ALA A 71 -0.105 -6.174 -6.521 1.00 0.00 O ATOM 1066 CB ALA A 71 2.115 -5.547 -8.001 1.00 0.00 C ATOM 0 H ALA A 71 2.265 -3.291 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 71 0.642 -4.313 -9.004 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.842 -6.464 -8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.953 -5.074 -8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.402 -5.784 -6.977 1.00 0.00 H new ATOM 1072 N ASN A 72 -1.499 -4.921 -7.802 1.00 0.00 N ATOM 1073 CA ASN A 72 -2.738 -5.523 -7.297 1.00 0.00 C ATOM 1074 C ASN A 72 -2.628 -5.924 -5.833 1.00 0.00 C ATOM 1075 O ASN A 72 -3.062 -7.014 -5.499 1.00 0.00 O ATOM 1076 CB ASN A 72 -3.123 -6.730 -8.151 1.00 0.00 C ATOM 1077 CG ASN A 72 -3.293 -6.283 -9.598 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -4.110 -5.297 -9.858 1.00 0.00 O flip ATOM 1079 ND2 ASN A 72 -2.660 -6.828 -10.503 1.00 0.00 N flip ATOM 1080 OXT ASN A 72 -2.109 -5.130 -5.069 1.00 0.00 O ATOM 0 H ASN A 72 -1.645 -4.200 -8.509 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.520 -4.767 -7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.354 -7.499 -8.083 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.049 -7.171 -7.782 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.025 -7.597 -10.290 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.771 -6.510 -11.466 1.00 0.00 H new TER 1087 ASN A 72