USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 564 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 16 THR OG1 : rot 2:sc= 0.108 USER MOD Set 1.2: A 20 HIS : no HE2:sc= -1.71 K(o=-1.6,f=-4.5!) USER MOD Set 1.3: A 67 ASN : amide:sc=-0.00487 X(o=-1.6,f=-1.6) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.623 K(o=0.16,f=-3.9!) USER MOD Set 2.2: A 45 ASN : amide:sc= -0.461 K(o=0.16,f=-5.1!) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.01! C(o=-7.6!,f=-10!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -6.62! C(o=-7.6!,f=-6.1!) USER MOD Single : A 1 CYS N :NH3+ -152:sc= 0.452 (180deg=0.0706) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0324 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 9 TYR OH : rot 26:sc= 1.19 USER MOD Single : A 12 ASN : amide:sc= -3.04! C(o=-3!,f=-9.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0435 USER MOD Single : A 28 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.9) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 31 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-1.9!) USER MOD Single : A 32 THR OG1 : rot 53:sc= 0.304 USER MOD Single : A 34 ASN : amide:sc= -1.97! K(o=-2!,f=-0.037) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= 1.19 (180deg=1.11) USER MOD Single : A 49 ASN : amide:sc= 0.257 K(o=0.26,f=-5!) USER MOD Single : A 50 TYR OH : rot 102:sc= 0.48 USER MOD Single : A 53 ASN : amide:sc= 2.88 K(o=2.9,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2) USER MOD Single : A 65 THR OG1 : rot -81:sc= -0.246 USER MOD Single : A 66 THR OG1 : rot 130:sc= -2.48! USER MOD Single : A 68 SER OG : rot -21:sc= 0.448 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0218) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 10.943 26.474 -21.170 1.00 0.00 N ATOM 56 CA CYS A 1 11.622 26.379 -19.885 1.00 0.00 C ATOM 57 C CYS A 1 10.692 25.898 -18.779 1.00 0.00 C ATOM 58 O CYS A 1 9.469 25.885 -18.929 1.00 0.00 O ATOM 59 CB CYS A 1 12.221 27.738 -19.519 1.00 0.00 C ATOM 60 SG CYS A 1 11.056 29.136 -19.655 1.00 0.00 S ATOM 0 H1 CYS A 1 11.631 26.333 -21.937 1.00 0.00 H new ATOM 0 H2 CYS A 1 10.205 25.743 -21.228 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.508 27.414 -21.264 1.00 0.00 H new ATOM 0 HA CYS A 1 12.417 25.639 -19.982 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.597 27.692 -18.497 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.077 27.930 -20.166 1.00 0.00 H new ATOM 0 HG CYS A 1 11.660 30.238 -19.322 1.00 0.00 H new ATOM 65 N LEU A 2 11.294 25.471 -17.677 1.00 0.00 N ATOM 66 CA LEU A 2 10.551 25.004 -16.516 1.00 0.00 C ATOM 67 C LEU A 2 10.213 26.149 -15.560 1.00 0.00 C ATOM 68 O LEU A 2 10.858 27.200 -15.562 1.00 0.00 O ATOM 69 CB LEU A 2 11.359 23.929 -15.787 1.00 0.00 C ATOM 70 CG LEU A 2 10.707 23.322 -14.557 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.369 22.705 -14.921 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.635 22.293 -13.937 1.00 0.00 C ATOM 0 H LEU A 2 12.307 25.439 -17.563 1.00 0.00 H new ATOM 0 HA LEU A 2 9.609 24.582 -16.866 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.576 23.126 -16.492 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.315 24.360 -15.491 1.00 0.00 H new ATOM 0 HG LEU A 2 10.525 24.106 -13.822 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.913 22.274 -14.030 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.713 23.474 -15.329 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.519 21.924 -15.666 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.162 21.861 -13.055 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.840 21.505 -14.661 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.570 22.773 -13.649 1.00 0.00 H new ATOM 84 N LYS A 3 9.195 25.908 -14.743 1.00 0.00 N ATOM 85 CA LYS A 3 8.705 26.868 -13.765 1.00 0.00 C ATOM 86 C LYS A 3 8.899 26.324 -12.347 1.00 0.00 C ATOM 87 O LYS A 3 7.948 26.239 -11.564 1.00 0.00 O ATOM 88 CB LYS A 3 7.213 27.140 -14.020 1.00 0.00 C ATOM 89 CG LYS A 3 6.423 25.859 -14.263 1.00 0.00 C ATOM 90 CD LYS A 3 4.914 26.054 -14.185 1.00 0.00 C ATOM 91 CE LYS A 3 4.393 27.059 -15.200 1.00 0.00 C ATOM 92 NZ LYS A 3 2.917 27.238 -15.091 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.680 25.027 -14.742 1.00 0.00 H new ATOM 0 HA LYS A 3 9.267 27.797 -13.863 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.791 27.667 -13.164 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.108 27.798 -14.883 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.680 25.463 -15.245 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.724 25.111 -13.529 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.420 25.095 -14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.647 26.387 -13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.888 28.018 -15.049 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.646 26.724 -16.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.598 27.930 -15.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.444 26.328 -15.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.678 27.581 -14.139 1.00 0.00 H new ATOM 106 N GLY A 4 10.125 25.932 -12.029 1.00 0.00 N ATOM 107 CA GLY A 4 10.413 25.390 -10.712 1.00 0.00 C ATOM 108 C GLY A 4 9.922 23.965 -10.558 1.00 0.00 C ATOM 109 O GLY A 4 10.571 23.028 -11.012 1.00 0.00 O ATOM 0 H GLY A 4 10.927 25.979 -12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.488 25.423 -10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.946 26.017 -9.953 1.00 0.00 H new ATOM 113 N THR A 5 8.766 23.801 -9.929 1.00 0.00 N ATOM 114 CA THR A 5 8.171 22.484 -9.763 1.00 0.00 C ATOM 115 C THR A 5 7.477 22.050 -11.046 1.00 0.00 C ATOM 116 O THR A 5 7.329 20.857 -11.298 1.00 0.00 O ATOM 117 CB THR A 5 7.163 22.470 -8.598 1.00 0.00 C ATOM 118 OG1 THR A 5 6.349 23.649 -8.642 1.00 0.00 O ATOM 119 CG2 THR A 5 7.878 22.382 -7.260 1.00 0.00 C ATOM 0 H THR A 5 8.222 24.564 -9.526 1.00 0.00 H new ATOM 0 HA THR A 5 8.974 21.784 -9.533 1.00 0.00 H new ATOM 0 HB THR A 5 6.529 21.590 -8.705 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.709 23.633 -7.900 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.143 22.374 -6.455 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.468 21.466 -7.222 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.536 23.243 -7.142 1.00 0.00 H new ATOM 127 N GLY A 6 7.076 23.032 -11.852 1.00 0.00 N ATOM 128 CA GLY A 6 6.536 22.767 -13.172 1.00 0.00 C ATOM 129 C GLY A 6 5.428 21.744 -13.200 1.00 0.00 C ATOM 130 O GLY A 6 5.606 20.647 -13.729 1.00 0.00 O ATOM 0 H GLY A 6 7.118 24.021 -11.606 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.162 23.701 -13.592 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.344 22.427 -13.820 1.00 0.00 H new ATOM 134 N GLU A 7 4.283 22.114 -12.660 1.00 0.00 N ATOM 135 CA GLU A 7 3.123 21.248 -12.682 1.00 0.00 C ATOM 136 C GLU A 7 2.658 21.064 -14.119 1.00 0.00 C ATOM 137 O GLU A 7 2.507 19.938 -14.600 1.00 0.00 O ATOM 138 CB GLU A 7 1.996 21.844 -11.840 1.00 0.00 C ATOM 139 CG GLU A 7 2.429 22.260 -10.445 1.00 0.00 C ATOM 140 CD GLU A 7 1.279 22.801 -9.621 1.00 0.00 C ATOM 141 OE1 GLU A 7 0.609 22.004 -8.932 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.036 24.026 -9.661 1.00 0.00 O1- ATOM 0 H GLU A 7 4.132 23.012 -12.200 1.00 0.00 H new ATOM 0 HA GLU A 7 3.393 20.280 -12.260 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.588 22.712 -12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.191 21.114 -11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.868 21.404 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.207 23.019 -10.520 1.00 0.00 H new ATOM 149 N ASN A 8 2.460 22.183 -14.807 1.00 0.00 N ATOM 150 CA ASN A 8 2.016 22.158 -16.192 1.00 0.00 C ATOM 151 C ASN A 8 2.724 23.235 -17.018 1.00 0.00 C ATOM 152 O ASN A 8 2.125 23.834 -17.907 1.00 0.00 O ATOM 153 CB ASN A 8 0.490 22.332 -16.260 1.00 0.00 C ATOM 154 CG ASN A 8 0.010 23.723 -15.866 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.693 24.463 -15.149 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.184 24.074 -16.315 1.00 0.00 N ATOM 0 H ASN A 8 2.601 23.119 -14.426 1.00 0.00 H new ATOM 0 HA ASN A 8 2.277 21.190 -16.620 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.154 22.116 -17.274 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.021 21.597 -15.606 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.573 24.985 -16.072 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.716 23.434 -16.905 1.00 0.00 H new ATOM 163 N TYR A 9 4.013 23.452 -16.708 1.00 0.00 N ATOM 164 CA TYR A 9 4.878 24.412 -17.426 1.00 0.00 C ATOM 165 C TYR A 9 4.535 24.544 -18.919 1.00 0.00 C ATOM 166 O TYR A 9 4.038 25.581 -19.347 1.00 0.00 O ATOM 167 CB TYR A 9 6.367 24.050 -17.237 1.00 0.00 C ATOM 168 CG TYR A 9 6.748 22.622 -17.597 1.00 0.00 C ATOM 169 CD1 TYR A 9 6.208 21.539 -16.914 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.656 22.361 -18.616 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.559 20.245 -17.237 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.010 21.068 -18.941 1.00 0.00 C ATOM 173 CZ TYR A 9 7.459 20.016 -18.253 1.00 0.00 C ATOM 174 OH TYR A 9 7.818 18.732 -18.577 1.00 0.00 O ATOM 0 H TYR A 9 4.490 22.965 -15.949 1.00 0.00 H new ATOM 0 HA TYR A 9 4.687 25.389 -16.982 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.967 24.730 -17.841 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.636 24.227 -16.196 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.501 21.714 -16.116 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.092 23.184 -19.163 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.130 19.415 -16.695 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.719 20.884 -19.735 1.00 0.00 H new ATOM 0 HH TYR A 9 7.100 18.117 -18.320 1.00 0.00 H new ATOM 184 N ARG A 10 4.845 23.532 -19.715 1.00 0.00 N ATOM 185 CA ARG A 10 4.377 23.468 -21.086 1.00 0.00 C ATOM 186 C ARG A 10 3.762 22.105 -21.366 1.00 0.00 C ATOM 187 O ARG A 10 2.555 21.915 -21.236 1.00 0.00 O ATOM 188 CB ARG A 10 5.514 23.737 -22.073 1.00 0.00 C ATOM 189 CG ARG A 10 5.974 25.176 -22.095 1.00 0.00 C ATOM 190 CD ARG A 10 7.127 25.424 -21.152 1.00 0.00 C ATOM 191 NE ARG A 10 7.699 26.754 -21.362 1.00 0.00 N ATOM 192 CZ ARG A 10 7.496 27.796 -20.558 1.00 0.00 C ATOM 193 NH1 ARG A 10 6.724 27.675 -19.485 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 8.060 28.962 -20.840 1.00 0.00 N ATOM 0 H ARG A 10 5.422 22.741 -19.430 1.00 0.00 H new ATOM 0 HA ARG A 10 3.620 24.241 -21.219 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.361 23.098 -21.821 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.188 23.454 -23.074 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.272 25.444 -23.108 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.141 25.825 -21.826 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.785 25.330 -20.121 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.895 24.666 -21.304 1.00 0.00 H new ATOM 0 HE ARG A 10 8.293 26.893 -22.179 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.283 26.780 -19.273 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.572 28.477 -18.873 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.646 29.058 -21.669 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.908 29.763 -20.228 1.00 0.00 H new ATOM 208 N GLY A 11 4.612 21.151 -21.705 1.00 0.00 N ATOM 209 CA GLY A 11 4.156 19.822 -22.049 1.00 0.00 C ATOM 210 C GLY A 11 4.937 19.281 -23.220 1.00 0.00 C ATOM 211 O GLY A 11 4.369 18.861 -24.226 1.00 0.00 O ATOM 0 H GLY A 11 5.623 21.276 -21.748 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.270 19.159 -21.191 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.094 19.848 -22.294 1.00 0.00 H new ATOM 215 N ASN A 12 6.252 19.307 -23.088 1.00 0.00 N ATOM 216 CA ASN A 12 7.132 18.929 -24.184 1.00 0.00 C ATOM 217 C ASN A 12 7.838 17.605 -23.916 1.00 0.00 C ATOM 218 O ASN A 12 7.574 16.608 -24.590 1.00 0.00 O ATOM 219 CB ASN A 12 8.158 20.035 -24.451 1.00 0.00 C ATOM 220 CG ASN A 12 8.613 20.746 -23.185 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.508 20.287 -22.486 1.00 0.00 O ATOM 222 ND2 ASN A 12 8.006 21.886 -22.893 1.00 0.00 N ATOM 0 H ASN A 12 6.735 19.585 -22.234 1.00 0.00 H new ATOM 0 HA ASN A 12 6.512 18.796 -25.070 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.026 19.604 -24.950 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.726 20.765 -25.135 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.280 22.412 -22.063 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.264 22.238 -23.498 1.00 0.00 H new ATOM 229 N VAL A 13 8.738 17.605 -22.944 1.00 0.00 N ATOM 230 CA VAL A 13 9.537 16.434 -22.624 1.00 0.00 C ATOM 231 C VAL A 13 8.673 15.251 -22.178 1.00 0.00 C ATOM 232 O VAL A 13 7.832 15.377 -21.287 1.00 0.00 O ATOM 233 CB VAL A 13 10.560 16.781 -21.529 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.330 15.553 -21.097 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.509 17.860 -22.020 1.00 0.00 C ATOM 0 H VAL A 13 8.934 18.416 -22.357 1.00 0.00 H new ATOM 0 HA VAL A 13 10.058 16.134 -23.533 1.00 0.00 H new ATOM 0 HB VAL A 13 10.018 17.159 -20.662 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.046 15.827 -20.322 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.637 14.809 -20.704 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.862 15.138 -21.953 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.228 18.097 -21.236 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.039 17.504 -22.903 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.942 18.755 -22.274 1.00 0.00 H new ATOM 245 N ALA A 14 8.890 14.107 -22.823 1.00 0.00 N ATOM 246 CA ALA A 14 8.180 12.874 -22.491 1.00 0.00 C ATOM 247 C ALA A 14 9.180 11.767 -22.145 1.00 0.00 C ATOM 248 O ALA A 14 8.905 10.574 -22.306 1.00 0.00 O ATOM 249 CB ALA A 14 7.295 12.456 -23.653 1.00 0.00 C ATOM 0 H ALA A 14 9.559 14.008 -23.586 1.00 0.00 H new ATOM 0 HA ALA A 14 7.548 13.049 -21.621 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.769 11.536 -23.397 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.570 13.243 -23.859 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.910 12.289 -24.537 1.00 0.00 H new ATOM 255 N VAL A 15 10.350 12.188 -21.681 1.00 0.00 N ATOM 256 CA VAL A 15 11.433 11.283 -21.307 1.00 0.00 C ATOM 257 C VAL A 15 12.097 11.825 -20.045 1.00 0.00 C ATOM 258 O VAL A 15 12.276 13.034 -19.911 1.00 0.00 O ATOM 259 CB VAL A 15 12.489 11.160 -22.441 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.647 10.268 -22.015 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.854 10.622 -23.718 1.00 0.00 C ATOM 0 H VAL A 15 10.577 13.174 -21.552 1.00 0.00 H new ATOM 0 HA VAL A 15 11.020 10.290 -21.131 1.00 0.00 H new ATOM 0 HB VAL A 15 12.878 12.158 -22.640 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.371 10.199 -22.827 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.129 10.693 -21.134 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.271 9.272 -21.778 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.613 10.545 -24.497 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.429 9.637 -23.526 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.065 11.299 -24.045 1.00 0.00 H new ATOM 271 N THR A 16 12.451 10.940 -19.126 1.00 0.00 N ATOM 272 CA THR A 16 13.010 11.350 -17.837 1.00 0.00 C ATOM 273 C THR A 16 14.337 12.102 -18.001 1.00 0.00 C ATOM 274 O THR A 16 14.832 12.269 -19.118 1.00 0.00 O ATOM 275 CB THR A 16 13.244 10.136 -16.919 1.00 0.00 C ATOM 276 OG1 THR A 16 14.252 9.284 -17.480 1.00 0.00 O ATOM 277 CG2 THR A 16 11.960 9.341 -16.718 1.00 0.00 C ATOM 0 H THR A 16 12.363 9.931 -19.244 1.00 0.00 H new ATOM 0 HA THR A 16 12.277 12.018 -17.385 1.00 0.00 H new ATOM 0 HB THR A 16 13.575 10.507 -15.949 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.594 9.683 -18.307 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.157 8.490 -16.066 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.204 9.980 -16.262 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.599 8.983 -17.682 1.00 0.00 H new ATOM 285 N VAL A 17 14.917 12.546 -16.891 1.00 0.00 N ATOM 286 CA VAL A 17 16.235 13.175 -16.914 1.00 0.00 C ATOM 287 C VAL A 17 17.274 12.215 -17.510 1.00 0.00 C ATOM 288 O VAL A 17 18.255 12.635 -18.127 1.00 0.00 O ATOM 289 CB VAL A 17 16.658 13.635 -15.494 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.588 12.488 -14.496 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.050 14.248 -15.507 1.00 0.00 C ATOM 0 H VAL A 17 14.496 12.483 -15.964 1.00 0.00 H new ATOM 0 HA VAL A 17 16.180 14.061 -17.547 1.00 0.00 H new ATOM 0 HB VAL A 17 15.951 14.402 -15.176 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.891 12.844 -13.511 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.567 12.110 -14.447 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.256 11.688 -14.814 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.319 14.561 -14.498 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.769 13.510 -15.862 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.060 15.113 -16.170 1.00 0.00 H new ATOM 301 N SER A 18 17.034 10.925 -17.335 1.00 0.00 N ATOM 302 CA SER A 18 17.844 9.897 -17.962 1.00 0.00 C ATOM 303 C SER A 18 17.079 9.292 -19.141 1.00 0.00 C ATOM 304 O SER A 18 15.971 9.729 -19.451 1.00 0.00 O ATOM 305 CB SER A 18 18.193 8.824 -16.932 1.00 0.00 C ATOM 306 OG SER A 18 18.796 9.406 -15.788 1.00 0.00 O ATOM 0 H SER A 18 16.275 10.564 -16.757 1.00 0.00 H new ATOM 0 HA SER A 18 18.771 10.332 -18.337 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.291 8.286 -16.640 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.871 8.094 -17.375 1.00 0.00 H new ATOM 0 HG SER A 18 19.011 8.704 -15.139 1.00 0.00 H new ATOM 312 N GLY A 19 17.644 8.276 -19.778 1.00 0.00 N ATOM 313 CA GLY A 19 17.033 7.715 -20.973 1.00 0.00 C ATOM 314 C GLY A 19 15.872 6.778 -20.682 1.00 0.00 C ATOM 315 O GLY A 19 15.686 5.781 -21.379 1.00 0.00 O ATOM 0 H GLY A 19 18.514 7.828 -19.491 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.682 8.529 -21.607 1.00 0.00 H new ATOM 0 HA3 GLY A 19 17.792 7.175 -21.539 1.00 0.00 H new ATOM 319 N HIS A 20 15.080 7.094 -19.663 1.00 0.00 N ATOM 320 CA HIS A 20 13.909 6.290 -19.336 1.00 0.00 C ATOM 321 C HIS A 20 12.705 6.822 -20.085 1.00 0.00 C ATOM 322 O HIS A 20 12.385 8.008 -19.991 1.00 0.00 O ATOM 323 CB HIS A 20 13.579 6.310 -17.838 1.00 0.00 C ATOM 324 CG HIS A 20 14.700 5.929 -16.927 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.475 6.855 -16.264 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.147 4.716 -16.536 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.356 6.227 -15.507 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.179 4.929 -15.653 1.00 0.00 N ATOM 0 H HIS A 20 15.227 7.897 -19.052 1.00 0.00 H new ATOM 0 HA HIS A 20 14.140 5.265 -19.624 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.242 7.312 -17.571 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.743 5.634 -17.659 1.00 0.00 H new ATOM 0 HD1 HIS A 20 15.383 7.868 -16.345 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.765 3.758 -16.857 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.096 6.697 -14.876 1.00 0.00 H new ATOM 337 N THR A 21 12.051 5.954 -20.828 1.00 0.00 N ATOM 338 CA THR A 21 10.817 6.308 -21.500 1.00 0.00 C ATOM 339 C THR A 21 9.724 6.590 -20.475 1.00 0.00 C ATOM 340 O THR A 21 9.424 5.740 -19.630 1.00 0.00 O ATOM 341 CB THR A 21 10.372 5.175 -22.446 1.00 0.00 C ATOM 342 OG1 THR A 21 11.291 5.056 -23.541 1.00 0.00 O ATOM 343 CG2 THR A 21 8.958 5.403 -22.967 1.00 0.00 C ATOM 0 H THR A 21 12.355 4.993 -20.983 1.00 0.00 H new ATOM 0 HA THR A 21 10.991 7.207 -22.091 1.00 0.00 H new ATOM 0 HB THR A 21 10.370 4.246 -21.876 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.000 4.333 -24.135 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.678 4.585 -23.631 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.263 5.444 -22.128 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.920 6.344 -23.516 1.00 0.00 H new ATOM 351 N CYS A 22 9.167 7.796 -20.517 1.00 0.00 N ATOM 352 CA CYS A 22 8.065 8.136 -19.635 1.00 0.00 C ATOM 353 C CYS A 22 6.825 7.327 -19.994 1.00 0.00 C ATOM 354 O CYS A 22 6.247 7.495 -21.065 1.00 0.00 O ATOM 355 CB CYS A 22 7.748 9.630 -19.684 1.00 0.00 C ATOM 356 SG CYS A 22 8.926 10.670 -18.762 1.00 0.00 S ATOM 0 H CYS A 22 9.459 8.544 -21.146 1.00 0.00 H new ATOM 0 HA CYS A 22 8.370 7.889 -18.618 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.732 9.953 -20.725 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.747 9.792 -19.284 1.00 0.00 H new ATOM 361 N GLN A 23 6.462 6.414 -19.118 1.00 0.00 N ATOM 362 CA GLN A 23 5.214 5.684 -19.233 1.00 0.00 C ATOM 363 C GLN A 23 4.017 6.634 -19.115 1.00 0.00 C ATOM 364 O GLN A 23 4.001 7.531 -18.267 1.00 0.00 O ATOM 365 CB GLN A 23 5.168 4.612 -18.148 1.00 0.00 C ATOM 366 CG GLN A 23 3.802 4.001 -17.942 1.00 0.00 C ATOM 367 CD GLN A 23 3.411 4.002 -16.491 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.707 3.072 -15.746 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.760 5.066 -16.073 1.00 0.00 N ATOM 0 H GLN A 23 7.023 6.156 -18.306 1.00 0.00 H new ATOM 0 HA GLN A 23 5.158 5.209 -20.212 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.873 3.821 -18.404 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.505 5.048 -17.207 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.063 4.557 -18.519 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.799 2.979 -18.320 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.535 5.816 -16.727 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.481 5.141 -15.095 1.00 0.00 H new ATOM 378 N HIS A 24 3.022 6.407 -19.973 1.00 0.00 N ATOM 379 CA HIS A 24 1.830 7.261 -20.064 1.00 0.00 C ATOM 380 C HIS A 24 1.120 7.407 -18.724 1.00 0.00 C ATOM 381 O HIS A 24 1.082 6.477 -17.916 1.00 0.00 O ATOM 382 CB HIS A 24 0.828 6.681 -21.066 1.00 0.00 C ATOM 383 CG HIS A 24 1.272 6.712 -22.495 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.082 5.750 -23.049 1.00 0.00 N ATOM 385 CD2 HIS A 24 0.980 7.576 -23.496 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.268 6.015 -24.325 1.00 0.00 C ATOM 387 NE2 HIS A 24 1.609 7.119 -24.625 1.00 0.00 N ATOM 0 H HIS A 24 3.017 5.625 -20.627 1.00 0.00 H new ATOM 0 HA HIS A 24 2.180 8.241 -20.389 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.617 5.648 -20.789 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.109 7.232 -20.980 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.366 8.461 -23.419 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.860 5.428 -25.011 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.574 7.559 -25.545 1.00 0.00 H new ATOM 396 N TRP A 25 0.556 8.589 -18.498 1.00 0.00 N ATOM 397 CA TRP A 25 -0.264 8.841 -17.318 1.00 0.00 C ATOM 398 C TRP A 25 -1.559 8.046 -17.391 1.00 0.00 C ATOM 399 O TRP A 25 -2.066 7.571 -16.379 1.00 0.00 O ATOM 400 CB TRP A 25 -0.569 10.330 -17.171 1.00 0.00 C ATOM 401 CG TRP A 25 0.658 11.171 -17.055 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.146 12.034 -17.987 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.558 11.223 -15.946 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.293 12.621 -17.524 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.571 12.136 -16.275 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.604 10.586 -14.706 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.622 12.425 -15.410 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.643 10.872 -13.848 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.643 11.784 -14.203 1.00 0.00 C ATOM 0 H TRP A 25 0.653 9.392 -19.120 1.00 0.00 H new ATOM 0 HA TRP A 25 0.299 8.519 -16.442 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.150 10.662 -18.031 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.191 10.482 -16.289 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.695 12.227 -18.949 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.851 13.309 -18.029 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.837 9.880 -14.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.393 13.130 -15.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.686 10.384 -12.885 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.447 11.985 -13.510 1.00 0.00 H new ATOM 420 N SER A 26 -2.092 7.913 -18.595 1.00 0.00 N ATOM 421 CA SER A 26 -3.297 7.136 -18.818 1.00 0.00 C ATOM 422 C SER A 26 -2.999 5.635 -18.796 1.00 0.00 C ATOM 423 O SER A 26 -3.903 4.807 -18.887 1.00 0.00 O ATOM 424 CB SER A 26 -3.915 7.552 -20.151 1.00 0.00 C ATOM 425 OG SER A 26 -2.918 7.687 -21.153 1.00 0.00 O ATOM 0 H SER A 26 -1.704 8.337 -19.438 1.00 0.00 H new ATOM 0 HA SER A 26 -4.005 7.333 -18.013 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.651 6.810 -20.462 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.446 8.497 -20.031 1.00 0.00 H new ATOM 0 HG SER A 26 -3.337 7.952 -21.998 1.00 0.00 H new ATOM 431 N ALA A 27 -1.724 5.295 -18.656 1.00 0.00 N ATOM 432 CA ALA A 27 -1.300 3.911 -18.586 1.00 0.00 C ATOM 433 C ALA A 27 -1.068 3.506 -17.144 1.00 0.00 C ATOM 434 O ALA A 27 -0.328 4.167 -16.415 1.00 0.00 O ATOM 435 CB ALA A 27 -0.034 3.697 -19.396 1.00 0.00 C ATOM 0 H ALA A 27 -0.962 5.970 -18.589 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.090 3.289 -19.006 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.268 2.652 -19.330 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.221 3.956 -20.438 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.761 4.330 -19.002 1.00 0.00 H new ATOM 441 N GLN A 28 -1.712 2.436 -16.732 1.00 0.00 N ATOM 442 CA GLN A 28 -1.495 1.879 -15.407 1.00 0.00 C ATOM 443 C GLN A 28 -0.525 0.711 -15.493 1.00 0.00 C ATOM 444 O GLN A 28 -0.496 -0.170 -14.637 1.00 0.00 O ATOM 445 CB GLN A 28 -2.814 1.441 -14.777 1.00 0.00 C ATOM 446 CG GLN A 28 -3.709 2.601 -14.368 1.00 0.00 C ATOM 447 CD GLN A 28 -3.158 3.322 -13.178 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.488 3.014 -12.033 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.274 4.261 -13.442 1.00 0.00 N ATOM 0 H GLN A 28 -2.394 1.929 -17.296 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.063 2.651 -14.769 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.352 0.809 -15.484 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.603 0.829 -13.900 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.810 3.296 -15.202 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.708 2.229 -14.140 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.035 4.479 -14.409 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.828 4.771 -12.679 1.00 0.00 H new ATOM 458 N THR A 29 0.249 0.712 -16.560 1.00 0.00 N ATOM 459 CA THR A 29 1.281 -0.279 -16.788 1.00 0.00 C ATOM 460 C THR A 29 2.395 0.373 -17.599 1.00 0.00 C ATOM 461 O THR A 29 2.101 1.155 -18.504 1.00 0.00 O ATOM 462 CB THR A 29 0.705 -1.494 -17.546 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.397 -2.041 -16.807 1.00 0.00 O ATOM 464 CG2 THR A 29 1.757 -2.573 -17.762 1.00 0.00 C ATOM 0 H THR A 29 0.178 1.409 -17.301 1.00 0.00 H new ATOM 0 HA THR A 29 1.671 -0.636 -15.835 1.00 0.00 H new ATOM 0 HB THR A 29 0.369 -1.151 -18.525 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.764 -2.811 -17.289 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.313 -3.412 -18.299 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.582 -2.165 -18.345 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.130 -2.916 -16.797 1.00 0.00 H new ATOM 472 N PRO A 30 3.684 0.094 -17.314 1.00 0.00 N ATOM 473 CA PRO A 30 4.132 -0.877 -16.293 1.00 0.00 C ATOM 474 C PRO A 30 3.691 -0.557 -14.856 1.00 0.00 C ATOM 475 O PRO A 30 3.228 -1.440 -14.134 1.00 0.00 O ATOM 476 CB PRO A 30 5.666 -0.824 -16.394 1.00 0.00 C ATOM 477 CG PRO A 30 5.978 0.451 -17.108 1.00 0.00 C ATOM 478 CD PRO A 30 4.822 0.708 -18.018 1.00 0.00 C ATOM 0 HA PRO A 30 3.690 -1.854 -16.487 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.125 -0.842 -15.405 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.053 -1.684 -16.941 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.109 1.271 -16.402 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.907 0.365 -17.672 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.667 1.775 -18.177 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.976 0.259 -18.999 1.00 0.00 H new ATOM 486 N HIS A 31 3.826 0.696 -14.446 1.00 0.00 N ATOM 487 CA HIS A 31 3.589 1.073 -13.051 1.00 0.00 C ATOM 488 C HIS A 31 2.136 1.497 -12.804 1.00 0.00 C ATOM 489 O HIS A 31 1.605 2.375 -13.492 1.00 0.00 O ATOM 490 CB HIS A 31 4.554 2.188 -12.635 1.00 0.00 C ATOM 491 CG HIS A 31 5.982 1.737 -12.516 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.928 1.923 -13.507 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.628 1.120 -11.500 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.088 1.441 -13.100 1.00 0.00 C ATOM 495 NE2 HIS A 31 7.933 0.951 -11.887 1.00 0.00 N ATOM 0 H HIS A 31 4.097 1.470 -15.053 1.00 0.00 H new ATOM 0 HA HIS A 31 3.773 0.191 -12.437 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.497 2.996 -13.364 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.231 2.598 -11.678 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.757 2.364 -14.411 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.196 0.816 -10.558 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.008 1.447 -13.666 1.00 0.00 H new ATOM 504 N THR A 32 1.509 0.886 -11.800 1.00 0.00 N ATOM 505 CA THR A 32 0.113 1.159 -11.459 1.00 0.00 C ATOM 506 C THR A 32 -0.003 2.389 -10.556 1.00 0.00 C ATOM 507 O THR A 32 -0.137 2.290 -9.338 1.00 0.00 O ATOM 508 CB THR A 32 -0.517 -0.061 -10.764 1.00 0.00 C ATOM 509 OG1 THR A 32 0.296 -0.471 -9.657 1.00 0.00 O ATOM 510 CG2 THR A 32 -0.656 -1.218 -11.736 1.00 0.00 C ATOM 0 H THR A 32 1.953 0.190 -11.201 1.00 0.00 H new ATOM 0 HA THR A 32 -0.425 1.360 -12.386 1.00 0.00 H new ATOM 0 HB THR A 32 -1.506 0.225 -10.406 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.461 0.297 -9.071 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.103 -2.071 -11.225 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.293 -0.919 -12.569 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.328 -1.496 -12.113 1.00 0.00 H new ATOM 518 N HIS A 33 0.085 3.552 -11.170 1.00 0.00 N ATOM 519 CA HIS A 33 0.149 4.817 -10.432 1.00 0.00 C ATOM 520 C HIS A 33 -1.222 5.471 -10.291 1.00 0.00 C ATOM 521 O HIS A 33 -2.000 5.479 -11.225 1.00 0.00 O ATOM 522 CB HIS A 33 1.100 5.778 -11.132 1.00 0.00 C ATOM 523 CG HIS A 33 0.711 6.070 -12.544 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.099 7.236 -12.934 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.845 5.328 -13.664 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.129 7.197 -14.226 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.315 6.052 -14.698 1.00 0.00 N ATOM 0 H HIS A 33 0.115 3.657 -12.184 1.00 0.00 H new ATOM 0 HA HIS A 33 0.514 4.590 -9.430 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.138 6.713 -10.572 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.105 5.357 -11.119 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.288 4.345 -13.732 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.603 7.976 -14.806 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.272 5.753 -15.672 1.00 0.00 H new ATOM 536 N ASN A 34 -1.492 6.072 -9.148 1.00 0.00 N ATOM 537 CA ASN A 34 -2.756 6.783 -8.955 1.00 0.00 C ATOM 538 C ASN A 34 -2.692 8.195 -9.527 1.00 0.00 C ATOM 539 O ASN A 34 -3.701 8.885 -9.605 1.00 0.00 O ATOM 540 CB ASN A 34 -3.141 6.850 -7.483 1.00 0.00 C ATOM 541 CG ASN A 34 -3.613 5.518 -6.913 1.00 0.00 C ATOM 542 OD1 ASN A 34 -4.387 5.485 -5.960 1.00 0.00 O ATOM 543 ND2 ASN A 34 -3.166 4.413 -7.493 1.00 0.00 N ATOM 0 H ASN A 34 -0.866 6.087 -8.343 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.518 6.218 -9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.283 7.198 -6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.931 7.590 -7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.464 3.500 -7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.524 4.476 -8.283 1.00 0.00 H new ATOM 550 N ARG A 36 -1.500 8.635 -9.918 1.00 0.00 N ATOM 551 CA ARG A 36 -1.363 9.935 -10.570 1.00 0.00 C ATOM 552 C ARG A 36 -1.746 9.828 -12.040 1.00 0.00 C ATOM 553 O ARG A 36 -0.881 9.767 -12.910 1.00 0.00 O ATOM 554 CB ARG A 36 0.064 10.507 -10.455 1.00 0.00 C ATOM 555 CG ARG A 36 0.490 10.921 -9.049 1.00 0.00 C ATOM 556 CD ARG A 36 1.029 9.743 -8.256 1.00 0.00 C ATOM 557 NE ARG A 36 1.319 10.088 -6.866 1.00 0.00 N ATOM 558 CZ ARG A 36 1.605 9.191 -5.917 1.00 0.00 C ATOM 559 NH1 ARG A 36 1.621 7.896 -6.197 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 1.870 9.597 -4.689 1.00 0.00 N ATOM 0 H ARG A 36 -0.627 8.121 -9.798 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.037 10.619 -10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.767 9.761 -10.825 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.144 11.374 -11.111 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.254 11.696 -9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.361 11.355 -8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.303 8.930 -8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.937 9.374 -8.732 1.00 0.00 H new ATOM 0 HE ARG A 36 1.302 11.074 -6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.414 7.576 -7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.840 7.219 -5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.856 10.592 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.089 8.915 -3.962 1.00 0.00 H new ATOM 574 N THR A 37 -3.041 9.796 -12.302 1.00 0.00 N ATOM 575 CA THR A 37 -3.565 9.672 -13.652 1.00 0.00 C ATOM 576 C THR A 37 -4.451 10.873 -13.946 1.00 0.00 C ATOM 577 O THR A 37 -4.886 11.554 -13.019 1.00 0.00 O ATOM 578 CB THR A 37 -4.386 8.370 -13.814 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.482 8.365 -12.892 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.517 7.145 -13.569 1.00 0.00 C ATOM 0 H THR A 37 -3.761 9.855 -11.582 1.00 0.00 H new ATOM 0 HA THR A 37 -2.730 9.635 -14.352 1.00 0.00 H new ATOM 0 HB THR A 37 -4.764 8.333 -14.836 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.998 7.539 -13.002 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.117 6.243 -13.689 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.696 7.132 -14.286 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.114 7.181 -12.557 1.00 0.00 H new ATOM 588 N PRO A 38 -4.717 11.174 -15.228 1.00 0.00 N ATOM 589 CA PRO A 38 -5.583 12.297 -15.611 1.00 0.00 C ATOM 590 C PRO A 38 -7.025 12.105 -15.138 1.00 0.00 C ATOM 591 O PRO A 38 -7.873 12.979 -15.313 1.00 0.00 O ATOM 592 CB PRO A 38 -5.510 12.326 -17.140 1.00 0.00 C ATOM 593 CG PRO A 38 -4.973 10.994 -17.547 1.00 0.00 C ATOM 594 CD PRO A 38 -4.169 10.471 -16.397 1.00 0.00 C ATOM 0 HA PRO A 38 -5.256 13.230 -15.152 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.494 12.500 -17.575 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.861 13.131 -17.485 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.786 10.310 -17.791 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.354 11.085 -18.440 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.272 9.391 -16.297 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.107 10.679 -16.526 1.00 0.00 H new ATOM 602 N GLU A 39 -7.287 10.945 -14.551 1.00 0.00 N ATOM 603 CA GLU A 39 -8.569 10.645 -13.931 1.00 0.00 C ATOM 604 C GLU A 39 -8.572 11.140 -12.486 1.00 0.00 C ATOM 605 O GLU A 39 -9.623 11.393 -11.900 1.00 0.00 O ATOM 606 CB GLU A 39 -8.795 9.136 -13.969 1.00 0.00 C ATOM 607 CG GLU A 39 -8.713 8.559 -15.365 1.00 0.00 C ATOM 608 CD GLU A 39 -8.466 7.069 -15.364 1.00 0.00 C ATOM 609 OE1 GLU A 39 -9.438 6.290 -15.313 1.00 0.00 O ATOM 610 OE2 GLU A 39 -7.287 6.671 -15.428 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.612 10.182 -14.492 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.370 11.147 -14.474 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.054 8.648 -13.336 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.774 8.910 -13.546 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.641 8.769 -15.896 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.913 9.056 -15.913 1.00 0.00 H new ATOM 617 N ASN A 40 -7.376 11.278 -11.931 1.00 0.00 N ATOM 618 CA ASN A 40 -7.191 11.709 -10.549 1.00 0.00 C ATOM 619 C ASN A 40 -6.659 13.130 -10.483 1.00 0.00 C ATOM 620 O ASN A 40 -6.899 13.857 -9.518 1.00 0.00 O ATOM 621 CB ASN A 40 -6.225 10.764 -9.829 1.00 0.00 C ATOM 622 CG ASN A 40 -6.928 9.607 -9.139 1.00 0.00 C ATOM 623 OD1 ASN A 40 -8.000 9.171 -9.560 1.00 0.00 O ATOM 624 ND2 ASN A 40 -6.316 9.087 -8.084 1.00 0.00 N ATOM 0 H ASN A 40 -6.503 11.094 -12.426 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.163 11.683 -10.056 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.508 10.369 -10.549 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.656 11.329 -9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.733 8.297 -7.591 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.429 9.477 -7.766 1.00 0.00 H new ATOM 631 N PHE A 41 -5.935 13.519 -11.512 1.00 0.00 N ATOM 632 CA PHE A 41 -5.343 14.844 -11.583 1.00 0.00 C ATOM 633 C PHE A 41 -5.602 15.456 -12.954 1.00 0.00 C ATOM 634 O PHE A 41 -4.669 15.675 -13.732 1.00 0.00 O ATOM 635 CB PHE A 41 -3.835 14.775 -11.321 1.00 0.00 C ATOM 636 CG PHE A 41 -3.466 14.253 -9.959 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.384 12.890 -9.721 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.186 15.128 -8.922 1.00 0.00 C ATOM 639 CE1 PHE A 41 -3.031 12.410 -8.474 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.835 14.652 -7.673 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.756 13.291 -7.450 1.00 0.00 C ATOM 0 H PHE A 41 -5.739 12.930 -12.321 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.801 15.470 -10.817 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.375 14.139 -12.078 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.411 15.772 -11.442 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.598 12.195 -10.519 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.243 16.193 -9.091 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.971 11.346 -8.302 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.623 15.344 -6.871 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.479 12.918 -6.475 1.00 0.00 H new ATOM 651 N PRO A 42 -6.874 15.735 -13.275 1.00 0.00 N ATOM 652 CA PRO A 42 -7.256 16.266 -14.583 1.00 0.00 C ATOM 653 C PRO A 42 -6.646 17.635 -14.845 1.00 0.00 C ATOM 654 O PRO A 42 -5.995 17.856 -15.866 1.00 0.00 O ATOM 655 CB PRO A 42 -8.785 16.365 -14.511 1.00 0.00 C ATOM 656 CG PRO A 42 -9.178 15.487 -13.374 1.00 0.00 C ATOM 657 CD PRO A 42 -8.045 15.559 -12.398 1.00 0.00 C ATOM 0 HA PRO A 42 -6.903 15.631 -15.395 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.106 17.393 -14.344 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.246 16.034 -15.442 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.109 15.827 -12.920 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.342 14.463 -13.709 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.160 16.392 -11.704 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.969 14.652 -11.798 1.00 0.00 H new ATOM 665 N SER A 43 -6.818 18.538 -13.891 1.00 0.00 N ATOM 666 CA SER A 43 -6.359 19.910 -14.042 1.00 0.00 C ATOM 667 C SER A 43 -4.884 20.044 -13.683 1.00 0.00 C ATOM 668 O SER A 43 -4.395 21.132 -13.376 1.00 0.00 O ATOM 669 CB SER A 43 -7.215 20.837 -13.184 1.00 0.00 C ATOM 670 OG SER A 43 -8.585 20.700 -13.529 1.00 0.00 O ATOM 0 H SER A 43 -7.275 18.343 -13.000 1.00 0.00 H new ATOM 0 HA SER A 43 -6.465 20.197 -15.088 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.073 20.602 -12.129 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.899 21.870 -13.326 1.00 0.00 H new ATOM 0 HG SER A 43 -9.124 21.298 -12.971 1.00 0.00 H new ATOM 676 N LYS A 44 -4.179 18.924 -13.729 1.00 0.00 N ATOM 677 CA LYS A 44 -2.738 18.925 -13.565 1.00 0.00 C ATOM 678 C LYS A 44 -2.106 18.623 -14.913 1.00 0.00 C ATOM 679 O LYS A 44 -0.886 18.614 -15.076 1.00 0.00 O ATOM 680 CB LYS A 44 -2.303 17.892 -12.527 1.00 0.00 C ATOM 681 CG LYS A 44 -0.915 18.151 -11.962 1.00 0.00 C ATOM 682 CD LYS A 44 -0.841 19.490 -11.244 1.00 0.00 C ATOM 683 CE LYS A 44 -1.757 19.529 -10.028 1.00 0.00 C ATOM 684 NZ LYS A 44 -1.757 20.864 -9.378 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.586 18.001 -13.879 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.412 19.901 -13.207 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.024 17.883 -11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.323 16.901 -12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.649 17.352 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.183 18.130 -12.770 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.186 19.679 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.117 20.288 -11.933 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.772 19.272 -10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.438 18.775 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.951 20.755 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.828 21.313 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.492 21.460 -9.809 1.00 0.00 H new ATOM 698 N ASN A 45 -2.998 18.358 -15.868 1.00 0.00 N ATOM 699 CA ASN A 45 -2.659 18.174 -17.272 1.00 0.00 C ATOM 700 C ASN A 45 -1.781 16.950 -17.486 1.00 0.00 C ATOM 701 O ASN A 45 -0.692 17.046 -18.034 1.00 0.00 O ATOM 702 CB ASN A 45 -1.988 19.428 -17.854 1.00 0.00 C ATOM 703 CG ASN A 45 -2.836 20.684 -17.709 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.318 21.801 -17.739 1.00 0.00 O ATOM 705 ND2 ASN A 45 -4.138 20.515 -17.513 1.00 0.00 N ATOM 0 H ASN A 45 -3.996 18.264 -15.679 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.595 18.009 -17.805 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.031 19.584 -17.356 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.775 19.261 -18.910 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.743 21.325 -17.381 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.533 19.575 -17.494 1.00 0.00 H new ATOM 712 N LEU A 46 -2.271 15.787 -17.084 1.00 0.00 N ATOM 713 CA LEU A 46 -1.544 14.538 -17.294 1.00 0.00 C ATOM 714 C LEU A 46 -1.688 14.078 -18.744 1.00 0.00 C ATOM 715 O LEU A 46 -2.291 13.043 -19.044 1.00 0.00 O ATOM 716 CB LEU A 46 -2.038 13.471 -16.308 1.00 0.00 C ATOM 717 CG LEU A 46 -1.189 13.302 -15.033 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.275 14.497 -14.799 1.00 0.00 C ATOM 719 CD2 LEU A 46 -2.074 13.077 -13.812 1.00 0.00 C ATOM 0 H LEU A 46 -3.168 15.679 -16.611 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.483 14.702 -17.105 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.058 13.717 -16.014 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.078 12.513 -16.826 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.563 12.422 -15.183 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.306 14.338 -13.891 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.401 14.610 -15.647 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.877 15.400 -14.692 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.449 12.961 -12.926 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.736 13.933 -13.680 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.670 12.176 -13.956 1.00 0.00 H new ATOM 731 N ASP A 47 -1.113 14.886 -19.628 1.00 0.00 N ATOM 732 CA ASP A 47 -1.152 14.662 -21.067 1.00 0.00 C ATOM 733 C ASP A 47 -0.191 13.563 -21.481 1.00 0.00 C ATOM 734 O ASP A 47 0.997 13.621 -21.154 1.00 0.00 O ATOM 735 CB ASP A 47 -0.759 15.945 -21.809 1.00 0.00 C ATOM 736 CG ASP A 47 -1.756 17.071 -21.658 1.00 0.00 C ATOM 737 OD1 ASP A 47 -2.744 17.105 -22.424 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.537 17.949 -20.798 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.600 15.726 -19.361 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.169 14.366 -21.323 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.212 16.281 -21.444 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.640 15.718 -22.868 1.00 0.00 H new ATOM 743 N GLU A 48 -0.714 12.578 -22.210 1.00 0.00 N ATOM 744 CA GLU A 48 0.089 11.502 -22.790 1.00 0.00 C ATOM 745 C GLU A 48 1.014 10.858 -21.765 1.00 0.00 C ATOM 746 O GLU A 48 0.603 10.005 -20.976 1.00 0.00 O ATOM 747 CB GLU A 48 0.930 12.012 -23.972 1.00 0.00 C ATOM 748 CG GLU A 48 0.155 12.245 -25.264 1.00 0.00 C ATOM 749 CD GLU A 48 -0.949 13.271 -25.131 1.00 0.00 C ATOM 750 OE1 GLU A 48 -0.671 14.473 -25.305 1.00 0.00 O ATOM 751 OE2 GLU A 48 -2.100 12.876 -24.859 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.710 12.503 -22.416 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.617 10.750 -23.141 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.409 12.947 -23.680 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.726 11.294 -24.168 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.848 12.568 -26.041 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.276 11.300 -25.595 1.00 0.00 H new ATOM 758 N ASN A 49 2.267 11.283 -21.798 1.00 0.00 N ATOM 759 CA ASN A 49 3.290 10.791 -20.897 1.00 0.00 C ATOM 760 C ASN A 49 4.288 11.898 -20.593 1.00 0.00 C ATOM 761 O ASN A 49 5.385 11.643 -20.103 1.00 0.00 O ATOM 762 CB ASN A 49 4.011 9.590 -21.513 1.00 0.00 C ATOM 763 CG ASN A 49 4.728 9.916 -22.817 1.00 0.00 C ATOM 764 OD1 ASN A 49 4.290 10.757 -23.601 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.833 9.234 -23.059 1.00 0.00 N ATOM 0 H ASN A 49 2.603 11.985 -22.457 1.00 0.00 H new ATOM 0 HA ASN A 49 2.815 10.473 -19.969 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.735 9.204 -20.796 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.287 8.795 -21.694 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.354 9.397 -23.920 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.165 8.545 -22.384 1.00 0.00 H new ATOM 772 N TYR A 50 3.888 13.129 -20.896 1.00 0.00 N ATOM 773 CA TYR A 50 4.735 14.299 -20.673 1.00 0.00 C ATOM 774 C TYR A 50 5.130 14.397 -19.211 1.00 0.00 C ATOM 775 O TYR A 50 4.327 14.097 -18.332 1.00 0.00 O ATOM 776 CB TYR A 50 4.004 15.585 -21.060 1.00 0.00 C ATOM 777 CG TYR A 50 3.418 15.600 -22.454 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.780 14.655 -23.404 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.502 16.578 -22.816 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.243 14.684 -24.676 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.959 16.613 -24.085 1.00 0.00 C ATOM 782 CZ TYR A 50 2.334 15.665 -25.010 1.00 0.00 C ATOM 783 OH TYR A 50 1.802 15.696 -26.275 1.00 0.00 O ATOM 0 H TYR A 50 2.976 13.344 -21.299 1.00 0.00 H new ATOM 0 HA TYR A 50 5.623 14.182 -21.294 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.200 15.756 -20.344 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.698 16.420 -20.966 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.492 13.886 -23.145 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.209 17.324 -22.093 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.534 13.942 -25.405 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.245 17.379 -24.350 1.00 0.00 H new ATOM 0 HH TYR A 50 0.899 15.316 -26.259 1.00 0.00 H new ATOM 793 N CYS A 51 6.359 14.817 -18.958 1.00 0.00 N ATOM 794 CA CYS A 51 6.831 15.013 -17.593 1.00 0.00 C ATOM 795 C CYS A 51 6.018 16.088 -16.879 1.00 0.00 C ATOM 796 O CYS A 51 6.332 17.271 -16.956 1.00 0.00 O ATOM 797 CB CYS A 51 8.298 15.421 -17.590 1.00 0.00 C ATOM 798 SG CYS A 51 9.442 14.171 -18.245 1.00 0.00 S ATOM 0 H CYS A 51 7.049 15.029 -19.678 1.00 0.00 H new ATOM 0 HA CYS A 51 6.711 14.066 -17.066 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.407 16.334 -18.175 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.591 15.660 -16.568 1.00 0.00 H new ATOM 803 N ARG A 52 4.951 15.677 -16.225 1.00 0.00 N ATOM 804 CA ARG A 52 4.142 16.585 -15.432 1.00 0.00 C ATOM 805 C ARG A 52 4.553 16.511 -13.971 1.00 0.00 C ATOM 806 O ARG A 52 5.466 15.770 -13.611 1.00 0.00 O ATOM 807 CB ARG A 52 2.662 16.246 -15.580 1.00 0.00 C ATOM 808 CG ARG A 52 2.112 16.472 -16.982 1.00 0.00 C ATOM 809 CD ARG A 52 2.353 17.895 -17.474 1.00 0.00 C ATOM 810 NE ARG A 52 1.540 18.207 -18.653 1.00 0.00 N ATOM 811 CZ ARG A 52 1.578 19.358 -19.318 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.443 20.303 -18.970 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.732 19.571 -20.322 1.00 0.00 N ATOM 0 H ARG A 52 4.620 14.712 -16.226 1.00 0.00 H new ATOM 0 HA ARG A 52 4.303 17.601 -15.793 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.510 15.202 -15.305 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.089 16.848 -14.875 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.578 15.768 -17.671 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.042 16.264 -16.988 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.121 18.600 -16.676 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.408 18.022 -17.716 1.00 0.00 H new ATOM 0 HE ARG A 52 0.898 17.489 -18.988 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.082 20.148 -18.190 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.469 21.184 -19.483 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.056 18.852 -20.580 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.759 20.453 -20.833 1.00 0.00 H new ATOM 827 N ASN A 53 3.890 17.280 -13.130 1.00 0.00 N ATOM 828 CA ASN A 53 4.103 17.181 -11.695 1.00 0.00 C ATOM 829 C ASN A 53 2.753 17.082 -10.981 1.00 0.00 C ATOM 830 O ASN A 53 2.322 18.023 -10.314 1.00 0.00 O ATOM 831 CB ASN A 53 4.896 18.388 -11.184 1.00 0.00 C ATOM 832 CG ASN A 53 5.398 18.204 -9.765 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.946 17.315 -9.039 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.321 19.061 -9.354 1.00 0.00 N ATOM 0 H ASN A 53 3.202 17.978 -13.411 1.00 0.00 H new ATOM 0 HA ASN A 53 4.683 16.283 -11.483 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.745 18.565 -11.845 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.266 19.276 -11.229 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.686 19.001 -8.403 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.667 19.781 -9.988 1.00 0.00 H new ATOM 841 N PRO A 54 2.053 15.941 -11.140 1.00 0.00 N ATOM 842 CA PRO A 54 0.734 15.738 -10.539 1.00 0.00 C ATOM 843 C PRO A 54 0.776 15.630 -9.017 1.00 0.00 C ATOM 844 O PRO A 54 0.035 16.320 -8.325 1.00 0.00 O ATOM 845 CB PRO A 54 0.237 14.429 -11.157 1.00 0.00 C ATOM 846 CG PRO A 54 1.452 13.729 -11.664 1.00 0.00 C ATOM 847 CD PRO A 54 2.481 14.789 -11.952 1.00 0.00 C ATOM 0 HA PRO A 54 0.082 16.589 -10.736 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.284 13.821 -10.417 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.469 14.622 -11.965 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.825 13.020 -10.925 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.222 13.160 -12.565 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.482 14.457 -11.676 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.509 15.038 -13.013 1.00 0.00 H new ATOM 855 N ASP A 55 1.632 14.750 -8.507 1.00 0.00 N ATOM 856 CA ASP A 55 1.747 14.540 -7.066 1.00 0.00 C ATOM 857 C ASP A 55 2.185 15.809 -6.334 1.00 0.00 C ATOM 858 O ASP A 55 1.586 16.195 -5.329 1.00 0.00 O ATOM 859 CB ASP A 55 2.735 13.412 -6.769 1.00 0.00 C ATOM 860 CG ASP A 55 2.782 13.065 -5.295 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.974 12.225 -4.859 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 3.630 13.624 -4.571 1.00 0.00 O1- ATOM 0 H ASP A 55 2.256 14.171 -9.069 1.00 0.00 H new ATOM 0 HA ASP A 55 0.756 14.267 -6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.455 12.527 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.730 13.706 -7.103 1.00 0.00 H new ATOM 867 N GLY A 56 3.219 16.459 -6.852 1.00 0.00 N ATOM 868 CA GLY A 56 3.741 17.657 -6.222 1.00 0.00 C ATOM 869 C GLY A 56 5.159 17.469 -5.724 1.00 0.00 C ATOM 870 O GLY A 56 5.454 17.689 -4.549 1.00 0.00 O ATOM 0 H GLY A 56 3.708 16.176 -7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.714 18.481 -6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.098 17.936 -5.387 1.00 0.00 H new ATOM 874 N LYS A 57 6.039 17.065 -6.628 1.00 0.00 N ATOM 875 CA LYS A 57 7.444 16.882 -6.300 1.00 0.00 C ATOM 876 C LYS A 57 8.196 18.190 -6.519 1.00 0.00 C ATOM 877 O LYS A 57 7.576 19.221 -6.774 1.00 0.00 O ATOM 878 CB LYS A 57 8.062 15.770 -7.153 1.00 0.00 C ATOM 879 CG LYS A 57 7.352 14.430 -7.032 1.00 0.00 C ATOM 880 CD LYS A 57 7.407 13.883 -5.617 1.00 0.00 C ATOM 881 CE LYS A 57 6.686 12.549 -5.511 1.00 0.00 C ATOM 882 NZ LYS A 57 6.649 12.053 -4.111 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.803 16.857 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 57 7.522 16.590 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.054 16.081 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.106 15.644 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.312 14.542 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.809 13.714 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.446 13.762 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.955 14.599 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.668 12.655 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.184 11.815 -6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.149 11.141 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.620 11.928 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.151 12.742 -3.512 1.00 0.00 H new ATOM 896 N ARG A 59 9.515 18.151 -6.445 1.00 0.00 N ATOM 897 CA ARG A 59 10.313 19.363 -6.598 1.00 0.00 C ATOM 898 C ARG A 59 10.393 19.788 -8.060 1.00 0.00 C ATOM 899 O ARG A 59 10.651 20.953 -8.364 1.00 0.00 O ATOM 900 CB ARG A 59 11.720 19.134 -6.057 1.00 0.00 C ATOM 901 CG ARG A 59 12.499 18.096 -6.845 1.00 0.00 C ATOM 902 CD ARG A 59 13.880 17.876 -6.252 1.00 0.00 C ATOM 903 NE ARG A 59 14.665 19.109 -6.261 1.00 0.00 N ATOM 904 CZ ARG A 59 15.345 19.570 -5.212 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.423 18.855 -4.096 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 15.962 20.742 -5.284 1.00 0.00 N ATOM 0 H ARG A 59 10.056 17.302 -6.281 1.00 0.00 H new ATOM 0 HA ARG A 59 9.828 20.158 -6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.266 20.077 -6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.656 18.818 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.950 17.154 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.593 18.419 -7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.785 17.510 -5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.403 17.105 -6.819 1.00 0.00 H new ATOM 0 HE ARG A 59 14.694 19.651 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.961 17.947 -4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.945 19.213 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.916 21.291 -6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.482 21.095 -4.481 1.00 0.00 H new ATOM 920 N ALA A 60 10.163 18.840 -8.953 1.00 0.00 N ATOM 921 CA ALA A 60 10.315 19.071 -10.379 1.00 0.00 C ATOM 922 C ALA A 60 9.455 18.092 -11.169 1.00 0.00 C ATOM 923 O ALA A 60 8.958 17.117 -10.602 1.00 0.00 O ATOM 924 CB ALA A 60 11.783 18.927 -10.766 1.00 0.00 C ATOM 0 H ALA A 60 9.867 17.894 -8.712 1.00 0.00 H new ATOM 0 HA ALA A 60 9.984 20.082 -10.615 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.896 19.101 -11.836 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.378 19.656 -10.215 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.126 17.921 -10.523 1.00 0.00 H new ATOM 930 N PRO A 61 9.253 18.352 -12.476 1.00 0.00 N ATOM 931 CA PRO A 61 8.543 17.437 -13.374 1.00 0.00 C ATOM 932 C PRO A 61 9.067 16.019 -13.264 1.00 0.00 C ATOM 933 O PRO A 61 10.282 15.791 -13.253 1.00 0.00 O ATOM 934 CB PRO A 61 8.844 18.006 -14.758 1.00 0.00 C ATOM 935 CG PRO A 61 9.013 19.454 -14.518 1.00 0.00 C ATOM 936 CD PRO A 61 9.682 19.570 -13.181 1.00 0.00 C ATOM 0 HA PRO A 61 7.479 17.373 -13.145 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.744 17.564 -15.184 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.031 17.809 -15.456 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.619 19.912 -15.300 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.051 19.966 -14.520 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.767 19.617 -13.278 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.370 20.471 -12.653 1.00 0.00 H new ATOM 944 N TRP A 62 8.155 15.076 -13.180 1.00 0.00 N ATOM 945 CA TRP A 62 8.516 13.693 -12.992 1.00 0.00 C ATOM 946 C TRP A 62 7.547 12.794 -13.738 1.00 0.00 C ATOM 947 O TRP A 62 6.435 13.202 -14.069 1.00 0.00 O ATOM 948 CB TRP A 62 8.529 13.356 -11.500 1.00 0.00 C ATOM 949 CG TRP A 62 7.177 13.420 -10.845 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.542 14.521 -10.350 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.303 12.317 -10.614 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.324 14.164 -9.815 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.155 12.811 -9.967 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.388 10.957 -10.893 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.096 11.980 -9.595 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.345 10.136 -10.526 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.212 10.649 -9.881 1.00 0.00 C ATOM 0 H TRP A 62 7.151 15.246 -13.240 1.00 0.00 H new ATOM 0 HA TRP A 62 9.516 13.526 -13.393 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.938 12.354 -11.368 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.202 14.045 -10.989 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.937 15.526 -10.374 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.658 14.801 -9.378 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.257 10.552 -11.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.220 12.374 -9.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.401 9.079 -10.739 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.413 9.978 -9.604 1.00 0.00 H new ATOM 968 N CYS A 63 7.965 11.578 -14.008 1.00 0.00 N ATOM 969 CA CYS A 63 7.109 10.630 -14.687 1.00 0.00 C ATOM 970 C CYS A 63 7.438 9.218 -14.230 1.00 0.00 C ATOM 971 O CYS A 63 8.281 9.016 -13.359 1.00 0.00 O ATOM 972 CB CYS A 63 7.270 10.756 -16.207 1.00 0.00 C ATOM 973 SG CYS A 63 8.783 9.981 -16.858 1.00 0.00 S ATOM 0 H CYS A 63 8.890 11.222 -13.769 1.00 0.00 H new ATOM 0 HA CYS A 63 6.071 10.848 -14.436 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.405 10.304 -16.692 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.271 11.812 -16.476 1.00 0.00 H new ATOM 978 N HIS A 64 6.759 8.243 -14.804 1.00 0.00 N ATOM 979 CA HIS A 64 6.981 6.852 -14.449 1.00 0.00 C ATOM 980 C HIS A 64 7.764 6.178 -15.552 1.00 0.00 C ATOM 981 O HIS A 64 7.397 6.280 -16.712 1.00 0.00 O ATOM 982 CB HIS A 64 5.646 6.134 -14.226 1.00 0.00 C ATOM 983 CG HIS A 64 4.848 6.722 -13.109 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.969 7.770 -13.283 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.813 6.417 -11.792 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.431 8.084 -12.121 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.926 7.277 -11.202 1.00 0.00 N ATOM 0 H HIS A 64 6.047 8.388 -15.520 1.00 0.00 H new ATOM 0 HA HIS A 64 7.549 6.804 -13.520 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.060 6.174 -15.144 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.836 5.082 -14.015 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.379 5.641 -11.298 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.708 8.868 -11.950 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.686 7.292 -10.211 1.00 0.00 H new ATOM 996 N THR A 65 8.845 5.512 -15.203 1.00 0.00 N ATOM 997 CA THR A 65 9.688 4.895 -16.207 1.00 0.00 C ATOM 998 C THR A 65 9.055 3.602 -16.693 1.00 0.00 C ATOM 999 O THR A 65 8.391 2.894 -15.929 1.00 0.00 O ATOM 1000 CB THR A 65 11.107 4.611 -15.660 1.00 0.00 C ATOM 1001 OG1 THR A 65 11.107 3.421 -14.867 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.595 5.776 -14.812 1.00 0.00 C ATOM 0 H THR A 65 9.159 5.384 -14.241 1.00 0.00 H new ATOM 0 HA THR A 65 9.781 5.592 -17.040 1.00 0.00 H new ATOM 0 HB THR A 65 11.776 4.480 -16.511 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.782 3.628 -13.966 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.595 5.559 -14.436 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.625 6.681 -15.419 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.916 5.925 -13.973 1.00 0.00 H new ATOM 1010 N THR A 66 9.219 3.323 -17.973 1.00 0.00 N ATOM 1011 CA THR A 66 8.801 2.055 -18.538 1.00 0.00 C ATOM 1012 C THR A 66 9.793 0.945 -18.194 1.00 0.00 C ATOM 1013 O THR A 66 9.791 -0.122 -18.810 1.00 0.00 O ATOM 1014 CB THR A 66 8.654 2.166 -20.063 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.833 2.757 -20.622 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.440 3.005 -20.418 1.00 0.00 C ATOM 0 H THR A 66 9.642 3.963 -18.645 1.00 0.00 H new ATOM 0 HA THR A 66 7.834 1.802 -18.104 1.00 0.00 H new ATOM 0 HB THR A 66 8.521 1.166 -20.476 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.154 2.206 -21.366 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.350 3.074 -21.502 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.544 2.540 -20.008 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.554 4.005 -19.999 1.00 0.00 H new ATOM 1024 N ASN A 67 10.633 1.200 -17.197 1.00 0.00 N ATOM 1025 CA ASN A 67 11.642 0.244 -16.775 1.00 0.00 C ATOM 1026 C ASN A 67 11.313 -0.295 -15.393 1.00 0.00 C ATOM 1027 O ASN A 67 10.693 0.386 -14.580 1.00 0.00 O ATOM 1028 CB ASN A 67 13.031 0.892 -16.747 1.00 0.00 C ATOM 1029 CG ASN A 67 13.527 1.295 -18.124 1.00 0.00 C ATOM 1030 OD1 ASN A 67 14.145 0.501 -18.827 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.275 2.541 -18.512 1.00 0.00 N ATOM 0 H ASN A 67 10.632 2.070 -16.664 1.00 0.00 H new ATOM 0 HA ASN A 67 11.648 -0.575 -17.494 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.002 1.773 -16.106 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.741 0.196 -16.301 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.599 2.867 -19.423 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.758 3.171 -17.899 1.00 0.00 H new ATOM 1038 N SER A 68 11.726 -1.522 -15.138 1.00 0.00 N ATOM 1039 CA SER A 68 11.545 -2.139 -13.833 1.00 0.00 C ATOM 1040 C SER A 68 12.757 -1.844 -12.952 1.00 0.00 C ATOM 1041 O SER A 68 12.796 -2.204 -11.777 1.00 0.00 O ATOM 1042 CB SER A 68 11.340 -3.650 -13.992 1.00 0.00 C ATOM 1043 OG SER A 68 11.193 -4.293 -12.736 1.00 0.00 O ATOM 0 H SER A 68 12.193 -2.117 -15.822 1.00 0.00 H new ATOM 0 HA SER A 68 10.659 -1.723 -13.354 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.456 -3.835 -14.602 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.189 -4.079 -14.524 1.00 0.00 H new ATOM 0 HG SER A 68 11.572 -3.726 -12.032 1.00 0.00 H new ATOM 1049 N GLN A 69 13.739 -1.167 -13.535 1.00 0.00 N ATOM 1050 CA GLN A 69 14.977 -0.839 -12.838 1.00 0.00 C ATOM 1051 C GLN A 69 14.753 0.307 -11.856 1.00 0.00 C ATOM 1052 O GLN A 69 15.485 0.466 -10.876 1.00 0.00 O ATOM 1053 CB GLN A 69 16.050 -0.445 -13.851 1.00 0.00 C ATOM 1054 CG GLN A 69 16.152 -1.404 -15.028 1.00 0.00 C ATOM 1055 CD GLN A 69 17.212 -0.996 -16.031 1.00 0.00 C ATOM 1056 OE1 GLN A 69 18.212 -0.374 -15.679 1.00 0.00 O ATOM 1057 NE2 GLN A 69 17.002 -1.352 -17.287 1.00 0.00 N ATOM 0 H GLN A 69 13.701 -0.832 -14.498 1.00 0.00 H new ATOM 0 HA GLN A 69 15.305 -1.717 -12.281 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.836 0.556 -14.225 1.00 0.00 H new ATOM 0 HB3 GLN A 69 17.015 -0.397 -13.347 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.376 -2.404 -14.657 1.00 0.00 H new ATOM 0 HG3 GLN A 69 15.186 -1.459 -15.530 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.158 -1.868 -17.537 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.684 -1.111 -18.006 1.00 0.00 H new ATOM 1066 N VAL A 70 13.738 1.106 -12.142 1.00 0.00 N ATOM 1067 CA VAL A 70 13.396 2.254 -11.329 1.00 0.00 C ATOM 1068 C VAL A 70 11.892 2.514 -11.408 1.00 0.00 C ATOM 1069 O VAL A 70 11.252 2.147 -12.391 1.00 0.00 O ATOM 1070 CB VAL A 70 14.187 3.491 -11.807 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.918 3.770 -13.270 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.891 4.716 -10.961 1.00 0.00 C ATOM 0 H VAL A 70 13.128 0.973 -12.948 1.00 0.00 H new ATOM 0 HA VAL A 70 13.661 2.053 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 70 15.246 3.263 -11.688 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.486 4.646 -13.584 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.220 2.909 -13.866 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.854 3.957 -13.415 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.468 5.563 -11.332 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.828 4.949 -11.018 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.164 4.517 -9.925 1.00 0.00 H new ATOM 1082 N ARG A 71 11.327 3.116 -10.375 1.00 0.00 N ATOM 1083 CA ARG A 71 9.909 3.431 -10.365 1.00 0.00 C ATOM 1084 C ARG A 71 9.638 4.688 -11.179 1.00 0.00 C ATOM 1085 O ARG A 71 9.552 4.654 -12.412 1.00 0.00 O ATOM 1086 CB ARG A 71 9.421 3.649 -8.935 1.00 0.00 C ATOM 1087 CG ARG A 71 9.505 2.427 -8.044 1.00 0.00 C ATOM 1088 CD ARG A 71 9.428 2.820 -6.578 1.00 0.00 C ATOM 1089 NE ARG A 71 8.435 3.875 -6.337 1.00 0.00 N ATOM 1090 CZ ARG A 71 7.260 3.661 -5.748 1.00 0.00 C ATOM 1091 NH1 ARG A 71 6.885 2.425 -5.439 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 6.457 4.678 -5.472 1.00 0.00 N ATOM 0 H ARG A 71 11.829 3.396 -9.532 1.00 0.00 H new ATOM 0 HA ARG A 71 9.374 2.590 -10.807 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.006 4.451 -8.484 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.386 3.988 -8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.693 1.740 -8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.438 1.896 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.176 1.943 -5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.407 3.162 -6.244 1.00 0.00 H new ATOM 0 HE ARG A 71 8.658 4.824 -6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.497 1.638 -5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.985 2.263 -4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.738 5.629 -5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.558 4.510 -5.021 1.00 0.00 H new ATOM 1106 N TRP A 72 9.478 5.792 -10.471 1.00 0.00 N ATOM 1107 CA TRP A 72 9.307 7.089 -11.087 1.00 0.00 C ATOM 1108 C TRP A 72 10.661 7.790 -11.200 1.00 0.00 C ATOM 1109 O TRP A 72 11.608 7.421 -10.505 1.00 0.00 O ATOM 1110 CB TRP A 72 8.314 7.922 -10.271 1.00 0.00 C ATOM 1111 CG TRP A 72 8.803 8.286 -8.905 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.868 7.485 -7.799 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.288 9.567 -8.503 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.373 8.192 -6.740 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.635 9.475 -7.144 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.463 10.780 -9.166 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.148 10.557 -6.435 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 9.970 11.852 -8.463 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.307 11.737 -7.111 1.00 0.00 C ATOM 0 H TRP A 72 9.463 5.811 -9.451 1.00 0.00 H new ATOM 0 HA TRP A 72 8.903 6.969 -12.092 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.086 8.836 -10.819 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.381 7.366 -10.176 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.566 6.449 -7.765 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.529 7.823 -5.802 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.206 10.878 -10.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.411 10.469 -5.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.109 12.798 -8.966 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.701 12.597 -6.589 1.00 0.00 H new ATOM 1130 N GLU A 73 10.749 8.789 -12.063 1.00 0.00 N ATOM 1131 CA GLU A 73 11.992 9.522 -12.268 1.00 0.00 C ATOM 1132 C GLU A 73 11.700 10.971 -12.607 1.00 0.00 C ATOM 1133 O GLU A 73 10.672 11.280 -13.213 1.00 0.00 O ATOM 1134 CB GLU A 73 12.814 8.890 -13.394 1.00 0.00 C ATOM 1135 CG GLU A 73 13.701 7.741 -12.951 1.00 0.00 C ATOM 1136 CD GLU A 73 14.899 8.203 -12.153 1.00 0.00 C ATOM 1137 OE1 GLU A 73 14.721 8.661 -11.007 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 16.033 8.092 -12.664 1.00 0.00 O1- ATOM 0 H GLU A 73 9.971 9.114 -12.637 1.00 0.00 H new ATOM 0 HA GLU A 73 12.567 9.477 -11.343 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.134 8.532 -14.167 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.437 9.660 -13.849 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.115 7.046 -12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.044 7.193 -13.828 1.00 0.00 H new ATOM 1145 N TYR A 74 12.608 11.849 -12.202 1.00 0.00 N ATOM 1146 CA TYR A 74 12.497 13.266 -12.512 1.00 0.00 C ATOM 1147 C TYR A 74 12.862 13.538 -13.960 1.00 0.00 C ATOM 1148 O TYR A 74 13.411 12.679 -14.650 1.00 0.00 O ATOM 1149 CB TYR A 74 13.416 14.090 -11.611 1.00 0.00 C ATOM 1150 CG TYR A 74 12.894 14.276 -10.207 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.708 14.960 -9.982 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.584 13.776 -9.109 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.223 15.141 -8.700 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.105 13.953 -7.826 1.00 0.00 C ATOM 1155 CZ TYR A 74 11.925 14.637 -7.627 1.00 0.00 C ATOM 1156 OH TYR A 74 11.441 14.816 -6.350 1.00 0.00 O ATOM 0 H TYR A 74 13.433 11.602 -11.655 1.00 0.00 H new ATOM 0 HA TYR A 74 11.460 13.555 -12.341 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.391 13.605 -11.564 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.568 15.070 -12.064 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.155 15.357 -10.821 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.509 13.241 -9.262 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.298 15.675 -8.540 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.652 13.558 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 74 12.053 14.400 -5.707 1.00 0.00 H new ATOM 1166 N CYS A 75 12.566 14.746 -14.407 1.00 0.00 N ATOM 1167 CA CYS A 75 12.940 15.183 -15.744 1.00 0.00 C ATOM 1168 C CYS A 75 13.636 16.533 -15.670 1.00 0.00 C ATOM 1169 O CYS A 75 13.172 17.443 -14.982 1.00 0.00 O ATOM 1170 CB CYS A 75 11.715 15.291 -16.645 1.00 0.00 C ATOM 1171 SG CYS A 75 10.648 13.820 -16.656 1.00 0.00 S ATOM 0 H CYS A 75 12.065 15.447 -13.861 1.00 0.00 H new ATOM 0 HA CYS A 75 13.618 14.442 -16.167 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.123 16.150 -16.329 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.047 15.490 -17.664 1.00 0.00 H new ATOM 1176 N LYS A 76 14.740 16.667 -16.383 1.00 0.00 N ATOM 1177 CA LYS A 76 15.522 17.889 -16.338 1.00 0.00 C ATOM 1178 C LYS A 76 15.078 18.846 -17.437 1.00 0.00 C ATOM 1179 O LYS A 76 15.634 18.860 -18.536 1.00 0.00 O ATOM 1180 CB LYS A 76 17.014 17.561 -16.452 1.00 0.00 C ATOM 1181 CG LYS A 76 17.938 18.764 -16.375 1.00 0.00 C ATOM 1182 CD LYS A 76 19.383 18.321 -16.212 1.00 0.00 C ATOM 1183 CE LYS A 76 20.357 19.476 -16.386 1.00 0.00 C ATOM 1184 NZ LYS A 76 20.495 19.874 -17.813 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.115 15.946 -16.999 1.00 0.00 H new ATOM 0 HA LYS A 76 15.356 18.384 -15.381 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.280 16.864 -15.657 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.188 17.047 -17.397 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.836 19.365 -17.278 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.650 19.397 -15.536 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.517 17.879 -15.225 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.608 17.544 -16.942 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.015 20.331 -15.802 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.333 19.191 -15.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.252 20.581 -17.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.730 19.038 -18.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.599 20.282 -18.148 1.00 0.00 H new ATOM 1198 N ILE A 77 14.041 19.612 -17.134 1.00 0.00 N ATOM 1199 CA ILE A 77 13.559 20.654 -18.029 1.00 0.00 C ATOM 1200 C ILE A 77 14.462 21.883 -17.865 1.00 0.00 C ATOM 1201 O ILE A 77 15.067 22.044 -16.802 1.00 0.00 O ATOM 1202 CB ILE A 77 12.085 21.028 -17.689 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.222 19.773 -17.517 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.465 21.934 -18.745 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.306 18.787 -18.658 1.00 0.00 C ATOM 0 H ILE A 77 13.512 19.530 -16.266 1.00 0.00 H new ATOM 0 HA ILE A 77 13.588 20.297 -19.059 1.00 0.00 H new ATOM 0 HB ILE A 77 12.113 21.575 -16.747 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.518 19.269 -16.597 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.183 20.078 -17.394 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.438 22.168 -18.466 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.041 22.857 -18.816 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.472 21.426 -19.710 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.663 17.932 -18.448 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.980 19.269 -19.580 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.336 18.447 -18.770 1.00 0.00 H new ATOM 1217 N PRO A 78 14.623 22.741 -18.901 1.00 0.00 N ATOM 1218 CA PRO A 78 15.367 24.001 -18.762 1.00 0.00 C ATOM 1219 C PRO A 78 14.698 24.908 -17.735 1.00 0.00 C ATOM 1220 O PRO A 78 13.797 24.486 -17.033 1.00 0.00 O ATOM 1221 CB PRO A 78 15.296 24.621 -20.161 1.00 0.00 C ATOM 1222 CG PRO A 78 15.016 23.476 -21.063 1.00 0.00 C ATOM 1223 CD PRO A 78 14.125 22.567 -20.274 1.00 0.00 C ATOM 0 HA PRO A 78 16.390 23.854 -18.417 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.511 25.375 -20.221 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.232 25.114 -20.424 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.529 23.807 -21.980 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.936 22.970 -21.355 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.076 22.850 -20.364 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.206 21.532 -20.606 1.00 0.00 H new