USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 57 GLN : amide:sc= 0.235 K(o=0.37,f=-0.59) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.133 K(o=0.37,f=-0.6) USER MOD Set 2.1: A 17 HIS : no HD1:sc= -0.742 X(o=-0.74,f=-0.28) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 148:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 SER OG : rot -59:sc= 0.912 USER MOD Set 3.2: A 47 TYR OH : rot -147:sc= 0.513 USER MOD Set 3.3: A 51 GLN : amide:sc= -0.866 K(o=0.56,f=-4!) USER MOD Single : A 19 ASN : amide:sc= 1.06 K(o=1.1,f=-0.018) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0.86 (180deg=0.757) USER MOD Single : A 25 GLN : amide:sc= 0.71 K(o=0.71,f=-0.45) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 1.31 (180deg=1) USER MOD Single : A 37 HIS : no HD1:sc= 0.596 K(o=0.6,f=-4.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 41 SER OG : rot -149:sc= 1.15 USER MOD Single : A 42 LYS NZ :NH3+ -146:sc= 1.85 (180deg=0.466) USER MOD Single : A 44 MET CE :methyl 172:sc= -0.84 (180deg=-1.23) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 30:sc= 1.22 USER MOD Single : A 54 SER OG : rot 180:sc= 0.217 USER MOD Single : A 55 MET CE :methyl 161:sc= -0.0466 (180deg=-0.445) USER MOD Single : A 65 GLN : amide:sc= -0.951 K(o=-0.95,f=-0.068) USER MOD Single : A 68 ASN : amide:sc= 1.13 K(o=1.1,f=-0.15) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 75 GLN : amide:sc= -0.0409 K(o=-0.041,f=-0.68) USER MOD Single : A 78 MET CE :methyl -117:sc= -0.347 (180deg=-1.57) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.89) USER MOD Single : A 90 GLN : amide:sc= -0.876 K(o=-0.88,f=-3.6!) USER MOD Single : A 91 THR OG1 : rot 61:sc= 0.113 USER MOD Single : B 357 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 358 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -5.280 23.507 5.078 1.00 10.00 N ATOM 2 CA ASP A 16 -5.893 22.453 5.917 1.00 10.00 C ATOM 3 C ASP A 16 -5.538 21.073 5.367 1.00 10.00 C ATOM 4 O ASP A 16 -4.654 20.947 4.517 1.00 10.00 O ATOM 5 CB ASP A 16 -7.415 22.633 5.968 1.00 10.00 C ATOM 6 CG ASP A 16 -8.017 22.094 7.251 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.297 20.880 7.318 1.00 10.00 O ATOM 8 OD2 ASP A 16 -8.203 22.879 8.202 1.00 10.00 O ATOM 0 HA ASP A 16 -5.501 22.537 6.930 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -7.657 23.692 5.873 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.867 22.125 5.116 1.00 10.00 H new ATOM 13 N HIS A 17 -6.226 20.045 5.843 1.00 10.00 N ATOM 14 CA HIS A 17 -5.975 18.681 5.402 1.00 10.00 C ATOM 15 C HIS A 17 -6.934 18.307 4.277 1.00 10.00 C ATOM 16 O HIS A 17 -7.837 19.075 3.937 1.00 10.00 O ATOM 17 CB HIS A 17 -6.128 17.698 6.572 1.00 10.00 C ATOM 18 CG HIS A 17 -5.224 17.989 7.730 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.566 18.911 8.692 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.010 17.468 8.030 1.00 10.00 C ATOM 21 CE1 HIS A 17 -4.557 18.934 9.546 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.594 18.079 9.187 1.00 10.00 N ATOM 0 H HIS A 17 -6.967 20.131 6.539 1.00 10.00 H new ATOM 0 HA HIS A 17 -4.952 18.622 5.031 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.162 17.717 6.917 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -5.930 16.688 6.214 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.474 16.718 7.468 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -4.516 19.564 10.422 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.716 17.912 9.679 1.00 10.00 H new ATOM 30 N ILE A 18 -6.729 17.132 3.705 1.00 10.00 N ATOM 31 CA ILE A 18 -7.563 16.646 2.620 1.00 10.00 C ATOM 32 C ILE A 18 -7.983 15.199 2.883 1.00 10.00 C ATOM 33 O ILE A 18 -7.210 14.404 3.423 1.00 10.00 O ATOM 34 CB ILE A 18 -6.819 16.765 1.266 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.746 16.429 0.096 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.583 15.873 1.245 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.132 16.719 -1.258 1.00 10.00 C ATOM 0 H ILE A 18 -5.984 16.492 3.978 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.461 17.262 2.568 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.496 17.800 1.154 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -8.015 15.374 0.146 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.669 16.999 0.198 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.078 15.974 0.284 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.905 16.172 2.045 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.881 14.835 1.391 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.842 16.458 -2.043 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.888 17.779 -1.327 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.224 16.129 -1.380 1.00 10.00 H new ATOM 49 N ASN A 19 -9.216 14.870 2.525 1.00 10.00 N ATOM 50 CA ASN A 19 -9.741 13.527 2.737 1.00 10.00 C ATOM 51 C ASN A 19 -9.613 12.700 1.467 1.00 10.00 C ATOM 52 O ASN A 19 -10.318 12.938 0.490 1.00 10.00 O ATOM 53 CB ASN A 19 -11.215 13.581 3.164 1.00 10.00 C ATOM 54 CG ASN A 19 -11.439 14.469 4.371 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.447 14.002 5.509 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.629 15.758 4.131 1.00 10.00 N ATOM 0 H ASN A 19 -9.873 15.515 2.086 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.158 13.060 3.531 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.817 13.946 2.332 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.561 12.572 3.390 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.789 16.403 4.905 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.615 16.106 3.172 1.00 10.00 H new ATOM 63 N LEU A 20 -8.705 11.741 1.474 1.00 10.00 N ATOM 64 CA LEU A 20 -8.503 10.886 0.314 1.00 10.00 C ATOM 65 C LEU A 20 -9.073 9.496 0.573 1.00 10.00 C ATOM 66 O LEU A 20 -8.700 8.829 1.539 1.00 10.00 O ATOM 67 CB LEU A 20 -7.016 10.810 -0.046 1.00 10.00 C ATOM 68 CG LEU A 20 -6.385 12.145 -0.452 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.918 11.961 -0.810 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.142 12.762 -1.620 1.00 10.00 C ATOM 0 H LEU A 20 -8.097 11.534 2.266 1.00 10.00 H new ATOM 0 HA LEU A 20 -9.034 11.319 -0.534 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.470 10.411 0.808 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.890 10.101 -0.864 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.449 12.823 0.399 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.490 12.922 -1.095 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.380 11.565 0.052 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.832 11.264 -1.643 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.679 13.710 -1.894 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.111 12.083 -2.472 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.179 12.935 -1.331 1.00 10.00 H new ATOM 82 N LYS A 21 -9.983 9.072 -0.289 1.00 10.00 N ATOM 83 CA LYS A 21 -10.619 7.773 -0.150 1.00 10.00 C ATOM 84 C LYS A 21 -9.828 6.696 -0.875 1.00 10.00 C ATOM 85 O LYS A 21 -9.846 6.617 -2.104 1.00 10.00 O ATOM 86 CB LYS A 21 -12.047 7.809 -0.701 1.00 10.00 C ATOM 87 CG LYS A 21 -12.923 8.885 -0.081 1.00 10.00 C ATOM 88 CD LYS A 21 -14.202 9.081 -0.879 1.00 10.00 C ATOM 89 CE LYS A 21 -15.097 10.132 -0.249 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.178 10.570 -1.171 1.00 10.00 N ATOM 0 H LYS A 21 -10.298 9.611 -1.095 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.648 7.535 0.913 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -12.005 7.966 -1.779 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.513 6.837 -0.538 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -13.170 8.610 0.945 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.372 9.824 -0.036 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.954 9.377 -1.898 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.740 8.135 -0.944 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -15.539 9.732 0.663 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.496 10.994 0.040 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.776 11.275 -0.695 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.757 10.991 -2.024 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.758 9.750 -1.440 1.00 10.00 H new ATOM 104 N VAL A 22 -9.115 5.885 -0.118 1.00 10.00 N ATOM 105 CA VAL A 22 -8.343 4.800 -0.693 1.00 10.00 C ATOM 106 C VAL A 22 -9.138 3.508 -0.567 1.00 10.00 C ATOM 107 O VAL A 22 -9.489 3.090 0.538 1.00 10.00 O ATOM 108 CB VAL A 22 -6.970 4.652 -0.002 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.158 3.541 -0.644 1.00 10.00 C ATOM 110 CG2 VAL A 22 -6.204 5.967 -0.034 1.00 10.00 C ATOM 0 H VAL A 22 -9.054 5.957 0.898 1.00 10.00 H new ATOM 0 HA VAL A 22 -8.156 5.023 -1.743 1.00 10.00 H new ATOM 0 HB VAL A 22 -7.144 4.385 1.040 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -5.195 3.456 -0.140 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.698 2.598 -0.556 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.997 3.770 -1.697 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.240 5.839 0.458 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -6.045 6.271 -1.069 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.777 6.735 0.485 1.00 10.00 H new ATOM 120 N ALA A 23 -9.448 2.895 -1.700 1.00 10.00 N ATOM 121 CA ALA A 23 -10.229 1.666 -1.707 1.00 10.00 C ATOM 122 C ALA A 23 -9.357 0.456 -2.010 1.00 10.00 C ATOM 123 O ALA A 23 -8.726 0.376 -3.070 1.00 10.00 O ATOM 124 CB ALA A 23 -11.367 1.772 -2.714 1.00 10.00 C ATOM 0 H ALA A 23 -9.172 3.227 -2.624 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.651 1.528 -0.711 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.944 0.847 -2.710 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -12.016 2.605 -2.444 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.957 1.940 -3.710 1.00 10.00 H new ATOM 130 N GLY A 24 -9.315 -0.478 -1.071 1.00 10.00 N ATOM 131 CA GLY A 24 -8.534 -1.681 -1.255 1.00 10.00 C ATOM 132 C GLY A 24 -9.311 -2.745 -2.004 1.00 10.00 C ATOM 133 O GLY A 24 -10.543 -2.707 -2.043 1.00 10.00 O ATOM 0 H GLY A 24 -9.811 -0.422 -0.181 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.622 -1.443 -1.803 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -8.229 -2.069 -0.283 1.00 10.00 H new ATOM 137 N GLN A 25 -8.603 -3.714 -2.573 1.00 10.00 N ATOM 138 CA GLN A 25 -9.241 -4.785 -3.338 1.00 10.00 C ATOM 139 C GLN A 25 -9.873 -5.825 -2.416 1.00 10.00 C ATOM 140 O GLN A 25 -10.352 -6.867 -2.865 1.00 10.00 O ATOM 141 CB GLN A 25 -8.230 -5.455 -4.271 1.00 10.00 C ATOM 142 CG GLN A 25 -7.558 -4.490 -5.234 1.00 10.00 C ATOM 143 CD GLN A 25 -8.550 -3.632 -5.999 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.615 -4.096 -6.407 1.00 10.00 O ATOM 145 NE2 GLN A 25 -8.208 -2.369 -6.189 1.00 10.00 N ATOM 0 H GLN A 25 -7.587 -3.782 -2.520 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.033 -4.336 -3.938 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.465 -5.948 -3.671 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.736 -6.233 -4.843 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -6.879 -3.843 -4.678 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.952 -5.055 -5.942 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.316 -2.023 -5.835 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.836 -1.740 -6.690 1.00 10.00 H new ATOM 154 N ASP A 26 -9.846 -5.546 -1.124 1.00 10.00 N ATOM 155 CA ASP A 26 -10.434 -6.430 -0.131 1.00 10.00 C ATOM 156 C ASP A 26 -11.773 -5.861 0.324 1.00 10.00 C ATOM 157 O ASP A 26 -12.592 -6.556 0.924 1.00 10.00 O ATOM 158 CB ASP A 26 -9.498 -6.583 1.067 1.00 10.00 C ATOM 159 CG ASP A 26 -9.432 -5.321 1.892 1.00 10.00 C ATOM 160 OD1 ASP A 26 -9.203 -4.241 1.308 1.00 10.00 O ATOM 161 OD2 ASP A 26 -9.623 -5.403 3.120 1.00 10.00 O ATOM 0 H ASP A 26 -9.419 -4.706 -0.735 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.589 -7.413 -0.576 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -9.840 -7.408 1.692 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.499 -6.841 0.717 1.00 10.00 H new ATOM 166 N GLY A 27 -11.986 -4.586 0.018 1.00 10.00 N ATOM 167 CA GLY A 27 -13.219 -3.927 0.386 1.00 10.00 C ATOM 168 C GLY A 27 -13.070 -3.036 1.603 1.00 10.00 C ATOM 169 O GLY A 27 -14.071 -2.599 2.176 1.00 10.00 O ATOM 0 H GLY A 27 -11.320 -3.996 -0.482 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.571 -3.329 -0.455 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -13.982 -4.679 0.584 1.00 10.00 H new ATOM 173 N SER A 28 -11.834 -2.768 2.004 1.00 10.00 N ATOM 174 CA SER A 28 -11.583 -1.920 3.159 1.00 10.00 C ATOM 175 C SER A 28 -11.515 -0.455 2.754 1.00 10.00 C ATOM 176 O SER A 28 -10.886 -0.100 1.752 1.00 10.00 O ATOM 177 CB SER A 28 -10.279 -2.325 3.860 1.00 10.00 C ATOM 178 OG SER A 28 -9.170 -2.278 2.974 1.00 10.00 O ATOM 0 H SER A 28 -10.994 -3.124 1.548 1.00 10.00 H new ATOM 0 HA SER A 28 -12.413 -2.053 3.853 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.098 -1.660 4.705 1.00 10.00 H new ATOM 0 HB3 SER A 28 -10.380 -3.333 4.263 1.00 10.00 H new ATOM 0 HG SER A 28 -9.330 -2.879 2.217 1.00 10.00 H new ATOM 184 N VAL A 29 -12.196 0.389 3.514 1.00 10.00 N ATOM 185 CA VAL A 29 -12.181 1.817 3.262 1.00 10.00 C ATOM 186 C VAL A 29 -11.352 2.495 4.348 1.00 10.00 C ATOM 187 O VAL A 29 -11.588 2.298 5.543 1.00 10.00 O ATOM 188 CB VAL A 29 -13.612 2.417 3.195 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.371 2.214 4.497 1.00 10.00 C ATOM 190 CG2 VAL A 29 -13.564 3.893 2.827 1.00 10.00 C ATOM 0 H VAL A 29 -12.766 0.107 4.311 1.00 10.00 H new ATOM 0 HA VAL A 29 -11.731 1.995 2.285 1.00 10.00 H new ATOM 0 HB VAL A 29 -14.151 1.882 2.413 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.367 2.648 4.409 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.457 1.148 4.706 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.834 2.701 5.311 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.578 4.291 2.786 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.991 4.437 3.578 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -13.089 4.010 1.853 1.00 10.00 H new ATOM 200 N VAL A 30 -10.353 3.260 3.940 1.00 10.00 N ATOM 201 CA VAL A 30 -9.490 3.927 4.898 1.00 10.00 C ATOM 202 C VAL A 30 -9.736 5.426 4.949 1.00 10.00 C ATOM 203 O VAL A 30 -9.886 6.084 3.918 1.00 10.00 O ATOM 204 CB VAL A 30 -7.994 3.687 4.601 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.611 2.249 4.887 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.653 4.056 3.170 1.00 10.00 C ATOM 0 H VAL A 30 -10.122 3.433 2.962 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.741 3.489 5.864 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.417 4.334 5.262 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.553 2.104 4.670 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.801 2.024 5.937 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -8.204 1.583 4.260 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.593 3.876 2.991 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -8.245 3.447 2.486 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.876 5.110 3.003 1.00 10.00 H new ATOM 216 N GLN A 31 -9.789 5.948 6.162 1.00 10.00 N ATOM 217 CA GLN A 31 -9.960 7.370 6.377 1.00 10.00 C ATOM 218 C GLN A 31 -8.574 7.989 6.464 1.00 10.00 C ATOM 219 O GLN A 31 -7.971 8.034 7.536 1.00 10.00 O ATOM 220 CB GLN A 31 -10.759 7.640 7.656 1.00 10.00 C ATOM 221 CG GLN A 31 -10.958 9.117 7.957 1.00 10.00 C ATOM 222 CD GLN A 31 -11.748 9.354 9.230 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.628 8.569 9.584 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.434 10.431 9.931 1.00 10.00 N ATOM 0 H GLN A 31 -9.715 5.400 7.019 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.522 7.811 5.554 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.735 7.162 7.571 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.247 7.173 8.498 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -9.985 9.600 8.043 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.475 9.588 7.121 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -10.698 11.056 9.603 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -11.928 10.636 10.800 1.00 10.00 H new ATOM 233 N PHE A 32 -8.060 8.415 5.323 1.00 10.00 N ATOM 234 CA PHE A 32 -6.726 8.986 5.253 1.00 10.00 C ATOM 235 C PHE A 32 -6.709 10.458 5.632 1.00 10.00 C ATOM 236 O PHE A 32 -7.303 11.296 4.953 1.00 10.00 O ATOM 237 CB PHE A 32 -6.147 8.812 3.849 1.00 10.00 C ATOM 238 CG PHE A 32 -4.968 7.884 3.803 1.00 10.00 C ATOM 239 CD1 PHE A 32 -5.078 6.632 3.225 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.749 8.265 4.339 1.00 10.00 C ATOM 241 CE1 PHE A 32 -3.996 5.774 3.185 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.663 7.413 4.302 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.786 6.165 3.723 1.00 10.00 C ATOM 0 H PHE A 32 -8.549 8.376 4.429 1.00 10.00 H new ATOM 0 HA PHE A 32 -6.111 8.449 5.975 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.925 8.432 3.187 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.848 9.787 3.463 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -6.021 6.322 2.800 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.647 9.240 4.791 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -4.096 4.798 2.733 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.719 7.722 4.725 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.938 5.497 3.691 1.00 10.00 H new ATOM 253 N LYS A 33 -6.027 10.757 6.724 1.00 10.00 N ATOM 254 CA LYS A 33 -5.884 12.123 7.188 1.00 10.00 C ATOM 255 C LYS A 33 -4.515 12.653 6.783 1.00 10.00 C ATOM 256 O LYS A 33 -3.534 12.504 7.516 1.00 10.00 O ATOM 257 CB LYS A 33 -6.063 12.193 8.705 1.00 10.00 C ATOM 258 CG LYS A 33 -7.253 13.036 9.136 1.00 10.00 C ATOM 259 CD LYS A 33 -7.007 14.508 8.870 1.00 10.00 C ATOM 260 CE LYS A 33 -8.259 15.335 9.104 1.00 10.00 C ATOM 261 NZ LYS A 33 -7.956 16.647 9.737 1.00 10.00 N ATOM 0 H LYS A 33 -5.560 10.064 7.309 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.655 12.742 6.730 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -6.183 11.183 9.096 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.157 12.602 9.152 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -8.145 12.711 8.601 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.445 12.883 10.198 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -6.207 14.867 9.518 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -6.669 14.641 7.842 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -8.766 15.501 8.153 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -8.947 14.777 9.739 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -8.641 17.357 9.409 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -8.020 16.557 10.771 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -6.995 16.945 9.474 1.00 10.00 H new ATOM 275 N ILE A 34 -4.453 13.244 5.601 1.00 10.00 N ATOM 276 CA ILE A 34 -3.206 13.770 5.064 1.00 10.00 C ATOM 277 C ILE A 34 -3.388 15.220 4.602 1.00 10.00 C ATOM 278 O ILE A 34 -4.516 15.677 4.425 1.00 10.00 O ATOM 279 CB ILE A 34 -2.732 12.881 3.879 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.392 13.362 3.310 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.792 12.843 2.782 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.755 12.384 2.347 1.00 10.00 C ATOM 0 H ILE A 34 -5.259 13.373 4.989 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.449 13.755 5.848 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.585 11.872 4.264 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.544 14.313 2.800 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.703 13.548 4.134 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.444 12.217 1.961 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.718 12.432 3.185 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.973 13.854 2.416 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.189 12.792 1.986 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.570 11.439 2.857 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.424 12.216 1.503 1.00 10.00 H new ATOM 294 N LYS A 35 -2.289 15.951 4.440 1.00 10.00 N ATOM 295 CA LYS A 35 -2.356 17.331 3.983 1.00 10.00 C ATOM 296 C LYS A 35 -2.247 17.381 2.462 1.00 10.00 C ATOM 297 O LYS A 35 -2.004 16.363 1.816 1.00 10.00 O ATOM 298 CB LYS A 35 -1.250 18.178 4.616 1.00 10.00 C ATOM 299 CG LYS A 35 -1.658 18.826 5.930 1.00 10.00 C ATOM 300 CD LYS A 35 -0.569 19.735 6.478 1.00 10.00 C ATOM 301 CE LYS A 35 -1.009 20.410 7.768 1.00 10.00 C ATOM 302 NZ LYS A 35 0.082 21.212 8.378 1.00 10.00 N ATOM 0 H LYS A 35 -1.345 15.610 4.619 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.316 17.745 4.291 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.375 17.550 4.786 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.952 18.956 3.913 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.571 19.402 5.782 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.885 18.051 6.662 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.335 19.154 6.659 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.318 20.493 5.736 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.864 21.056 7.566 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -1.342 19.653 8.478 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 -0.318 21.861 9.086 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 0.765 20.576 8.838 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.564 21.761 7.638 1.00 10.00 H new ATOM 316 N ARG A 36 -2.397 18.568 1.894 1.00 10.00 N ATOM 317 CA ARG A 36 -2.341 18.735 0.448 1.00 10.00 C ATOM 318 C ARG A 36 -0.907 18.940 -0.036 1.00 10.00 C ATOM 319 O ARG A 36 -0.640 18.917 -1.238 1.00 10.00 O ATOM 320 CB ARG A 36 -3.227 19.910 0.018 1.00 10.00 C ATOM 321 CG ARG A 36 -4.666 19.785 0.505 1.00 10.00 C ATOM 322 CD ARG A 36 -5.562 20.875 -0.061 1.00 10.00 C ATOM 323 NE ARG A 36 -5.706 20.764 -1.513 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.869 20.604 -2.151 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.013 20.521 -1.478 1.00 10.00 N ATOM 326 NH2 ARG A 36 -6.882 20.531 -3.474 1.00 10.00 N ATOM 0 H ARG A 36 -2.559 19.431 2.412 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.716 17.821 -0.012 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.800 20.838 0.400 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.223 19.981 -1.070 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -5.060 18.809 0.221 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.684 19.831 1.594 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.545 20.816 0.407 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.148 21.852 0.189 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.858 20.812 -2.078 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -8.011 20.579 -0.460 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.892 20.399 -1.980 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -6.009 20.597 -3.997 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -7.765 20.409 -3.969 1.00 10.00 H new ATOM 340 N HIS A 37 0.014 19.125 0.903 1.00 10.00 N ATOM 341 CA HIS A 37 1.419 19.333 0.557 1.00 10.00 C ATOM 342 C HIS A 37 2.263 18.102 0.891 1.00 10.00 C ATOM 343 O HIS A 37 3.449 18.038 0.559 1.00 10.00 O ATOM 344 CB HIS A 37 1.966 20.581 1.279 1.00 10.00 C ATOM 345 CG HIS A 37 2.485 20.333 2.667 1.00 10.00 C ATOM 346 ND1 HIS A 37 3.820 20.461 2.964 1.00 10.00 N ATOM 347 CD2 HIS A 37 1.816 19.986 3.790 1.00 10.00 C ATOM 348 CE1 HIS A 37 3.932 20.188 4.251 1.00 10.00 C ATOM 349 NE2 HIS A 37 2.745 19.891 4.793 1.00 10.00 N ATOM 0 H HIS A 37 -0.183 19.136 1.904 1.00 10.00 H new ATOM 0 HA HIS A 37 1.483 19.494 -0.519 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.769 21.008 0.678 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.175 21.329 1.331 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.753 19.816 3.879 1.00 10.00 H new ATOM 0 HE1 HIS A 37 4.864 20.203 4.797 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.566 19.642 5.766 1.00 10.00 H new ATOM 357 N THR A 38 1.649 17.125 1.540 1.00 10.00 N ATOM 358 CA THR A 38 2.347 15.913 1.938 1.00 10.00 C ATOM 359 C THR A 38 2.467 14.922 0.777 1.00 10.00 C ATOM 360 O THR A 38 1.473 14.595 0.134 1.00 10.00 O ATOM 361 CB THR A 38 1.621 15.241 3.116 1.00 10.00 C ATOM 362 OG1 THR A 38 1.322 16.218 4.126 1.00 10.00 O ATOM 363 CG2 THR A 38 2.462 14.128 3.717 1.00 10.00 C ATOM 0 H THR A 38 0.664 17.149 1.803 1.00 10.00 H new ATOM 0 HA THR A 38 3.353 16.201 2.244 1.00 10.00 H new ATOM 0 HB THR A 38 0.695 14.806 2.739 1.00 10.00 H new ATOM 0 HG1 THR A 38 0.858 15.785 4.873 1.00 10.00 H new ATOM 0 HG21 THR A 38 1.923 13.672 4.547 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.663 13.373 2.957 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.405 14.539 4.079 1.00 10.00 H new ATOM 371 N PRO A 39 3.696 14.450 0.484 1.00 10.00 N ATOM 372 CA PRO A 39 3.947 13.486 -0.598 1.00 10.00 C ATOM 373 C PRO A 39 3.081 12.233 -0.497 1.00 10.00 C ATOM 374 O PRO A 39 2.864 11.695 0.594 1.00 10.00 O ATOM 375 CB PRO A 39 5.424 13.121 -0.418 1.00 10.00 C ATOM 376 CG PRO A 39 6.025 14.282 0.291 1.00 10.00 C ATOM 377 CD PRO A 39 4.944 14.830 1.180 1.00 10.00 C ATOM 0 HA PRO A 39 3.708 13.913 -1.572 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.536 12.204 0.161 1.00 10.00 H new ATOM 0 HB3 PRO A 39 5.909 12.952 -1.380 1.00 10.00 H new ATOM 0 HG2 PRO A 39 6.893 13.976 0.875 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.368 15.037 -0.417 1.00 10.00 H new ATOM 0 HD2 PRO A 39 4.992 14.401 2.181 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.027 15.911 1.293 1.00 10.00 H new ATOM 385 N LEU A 40 2.611 11.757 -1.645 1.00 10.00 N ATOM 386 CA LEU A 40 1.766 10.571 -1.698 1.00 10.00 C ATOM 387 C LEU A 40 2.576 9.320 -1.384 1.00 10.00 C ATOM 388 O LEU A 40 2.019 8.270 -1.066 1.00 10.00 O ATOM 389 CB LEU A 40 1.103 10.450 -3.071 1.00 10.00 C ATOM 390 CG LEU A 40 0.085 11.549 -3.389 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.476 11.365 -4.788 1.00 10.00 C ATOM 392 CD2 LEU A 40 -1.041 11.555 -2.363 1.00 10.00 C ATOM 0 H LEU A 40 2.802 12.177 -2.555 1.00 10.00 H new ATOM 0 HA LEU A 40 0.985 10.671 -0.944 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.879 10.460 -3.836 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.605 9.483 -3.135 1.00 10.00 H new ATOM 0 HG LEU A 40 0.596 12.511 -3.343 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.198 12.155 -4.997 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.335 11.413 -5.515 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.969 10.395 -4.858 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.753 12.343 -2.608 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.549 10.591 -2.375 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.628 11.735 -1.371 1.00 10.00 H new ATOM 404 N SER A 41 3.896 9.443 -1.469 1.00 10.00 N ATOM 405 CA SER A 41 4.793 8.343 -1.164 1.00 10.00 C ATOM 406 C SER A 41 4.626 7.948 0.299 1.00 10.00 C ATOM 407 O SER A 41 4.681 6.773 0.658 1.00 10.00 O ATOM 408 CB SER A 41 6.230 8.773 -1.453 1.00 10.00 C ATOM 409 OG SER A 41 6.247 10.058 -2.061 1.00 10.00 O ATOM 0 H SER A 41 4.368 10.303 -1.749 1.00 10.00 H new ATOM 0 HA SER A 41 4.557 7.479 -1.785 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.804 8.794 -0.527 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.709 8.046 -2.109 1.00 10.00 H new ATOM 0 HG SER A 41 7.018 10.125 -2.662 1.00 10.00 H new ATOM 415 N LYS A 42 4.386 8.958 1.125 1.00 10.00 N ATOM 416 CA LYS A 42 4.175 8.773 2.551 1.00 10.00 C ATOM 417 C LYS A 42 2.856 8.042 2.782 1.00 10.00 C ATOM 418 O LYS A 42 2.736 7.201 3.673 1.00 10.00 O ATOM 419 CB LYS A 42 4.146 10.145 3.220 1.00 10.00 C ATOM 420 CG LYS A 42 4.314 10.128 4.726 1.00 10.00 C ATOM 421 CD LYS A 42 4.096 11.519 5.289 1.00 10.00 C ATOM 422 CE LYS A 42 4.408 11.602 6.771 1.00 10.00 C ATOM 423 NZ LYS A 42 5.854 11.463 7.069 1.00 10.00 N ATOM 0 H LYS A 42 4.332 9.930 0.822 1.00 10.00 H new ATOM 0 HA LYS A 42 4.981 8.176 2.978 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.936 10.759 2.788 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.199 10.629 2.981 1.00 10.00 H new ATOM 0 HG2 LYS A 42 3.604 9.431 5.171 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.312 9.775 4.985 1.00 10.00 H new ATOM 0 HD2 LYS A 42 4.723 12.228 4.749 1.00 10.00 H new ATOM 0 HD3 LYS A 42 3.061 11.817 5.122 1.00 10.00 H new ATOM 0 HE2 LYS A 42 4.053 12.557 7.158 1.00 10.00 H new ATOM 0 HE3 LYS A 42 3.858 10.821 7.296 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 5.976 10.968 7.976 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 6.314 10.917 6.312 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 6.288 12.406 7.128 1.00 10.00 H new ATOM 437 N LEU A 43 1.876 8.370 1.945 1.00 10.00 N ATOM 438 CA LEU A 43 0.552 7.766 2.010 1.00 10.00 C ATOM 439 C LEU A 43 0.631 6.285 1.647 1.00 10.00 C ATOM 440 O LEU A 43 0.008 5.439 2.292 1.00 10.00 O ATOM 441 CB LEU A 43 -0.392 8.504 1.047 1.00 10.00 C ATOM 442 CG LEU A 43 -1.862 8.070 1.072 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.774 9.280 0.935 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.153 7.068 -0.039 1.00 10.00 C ATOM 0 H LEU A 43 1.979 9.062 1.203 1.00 10.00 H new ATOM 0 HA LEU A 43 0.165 7.850 3.025 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.346 9.570 1.272 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.015 8.376 0.032 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.055 7.587 2.030 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.814 8.956 0.954 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.593 9.968 1.761 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.569 9.785 -0.009 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.202 6.776 0.000 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.939 7.524 -1.006 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.526 6.186 0.093 1.00 10.00 H new ATOM 456 N MET A 44 1.416 5.982 0.621 1.00 10.00 N ATOM 457 CA MET A 44 1.584 4.609 0.158 1.00 10.00 C ATOM 458 C MET A 44 2.225 3.743 1.240 1.00 10.00 C ATOM 459 O MET A 44 1.774 2.627 1.500 1.00 10.00 O ATOM 460 CB MET A 44 2.440 4.573 -1.111 1.00 10.00 C ATOM 461 CG MET A 44 1.782 5.230 -2.315 1.00 10.00 C ATOM 462 SD MET A 44 2.601 4.815 -3.868 1.00 10.00 S ATOM 463 CE MET A 44 4.171 5.653 -3.662 1.00 10.00 C ATOM 0 H MET A 44 1.949 6.672 0.091 1.00 10.00 H new ATOM 0 HA MET A 44 0.596 4.208 -0.068 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.389 5.070 -0.912 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.668 3.535 -1.355 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.738 4.922 -2.366 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.789 6.312 -2.183 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.842 5.374 -4.475 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.012 6.731 -3.676 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.616 5.364 -2.710 1.00 10.00 H new ATOM 473 N LYS A 45 3.265 4.273 1.877 1.00 10.00 N ATOM 474 CA LYS A 45 3.977 3.551 2.929 1.00 10.00 C ATOM 475 C LYS A 45 3.057 3.221 4.103 1.00 10.00 C ATOM 476 O LYS A 45 3.120 2.126 4.664 1.00 10.00 O ATOM 477 CB LYS A 45 5.163 4.378 3.433 1.00 10.00 C ATOM 478 CG LYS A 45 6.228 4.643 2.383 1.00 10.00 C ATOM 479 CD LYS A 45 7.418 5.377 2.979 1.00 10.00 C ATOM 480 CE LYS A 45 8.386 5.842 1.904 1.00 10.00 C ATOM 481 NZ LYS A 45 9.648 6.383 2.483 1.00 10.00 N ATOM 0 H LYS A 45 3.635 5.203 1.683 1.00 10.00 H new ATOM 0 HA LYS A 45 4.337 2.617 2.498 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.793 5.332 3.808 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.621 3.860 4.276 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.559 3.699 1.951 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.803 5.233 1.571 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.067 6.237 3.549 1.00 10.00 H new ATOM 0 HD3 LYS A 45 7.937 4.721 3.678 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.620 5.008 1.242 1.00 10.00 H new ATOM 0 HE3 LYS A 45 7.909 6.609 1.294 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.279 6.688 1.715 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.429 7.195 3.095 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.118 5.644 3.044 1.00 10.00 H new ATOM 495 N ALA A 46 2.196 4.168 4.457 1.00 10.00 N ATOM 496 CA ALA A 46 1.269 3.994 5.572 1.00 10.00 C ATOM 497 C ALA A 46 0.372 2.770 5.383 1.00 10.00 C ATOM 498 O ALA A 46 0.317 1.891 6.248 1.00 10.00 O ATOM 499 CB ALA A 46 0.429 5.246 5.745 1.00 10.00 C ATOM 0 H ALA A 46 2.120 5.069 3.986 1.00 10.00 H new ATOM 0 HA ALA A 46 1.858 3.826 6.474 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.260 5.109 6.578 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.080 6.096 5.948 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -0.137 5.433 4.833 1.00 10.00 H new ATOM 505 N TYR A 47 -0.316 2.702 4.250 1.00 10.00 N ATOM 506 CA TYR A 47 -1.207 1.579 3.973 1.00 10.00 C ATOM 507 C TYR A 47 -0.404 0.292 3.770 1.00 10.00 C ATOM 508 O TYR A 47 -0.872 -0.803 4.092 1.00 10.00 O ATOM 509 CB TYR A 47 -2.083 1.874 2.752 1.00 10.00 C ATOM 510 CG TYR A 47 -3.171 0.845 2.521 1.00 10.00 C ATOM 511 CD1 TYR A 47 -3.289 0.188 1.303 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.076 0.529 3.528 1.00 10.00 C ATOM 513 CE1 TYR A 47 -4.278 -0.757 1.098 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.067 -0.413 3.330 1.00 10.00 C ATOM 515 CZ TYR A 47 -5.165 -1.054 2.112 1.00 10.00 C ATOM 516 OH TYR A 47 -6.145 -2.000 1.910 1.00 10.00 O ATOM 0 H TYR A 47 -0.276 3.405 3.512 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.861 1.439 4.833 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.543 2.855 2.874 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.450 1.926 1.866 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.599 0.418 0.505 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.003 1.029 4.482 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.356 -1.261 0.146 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -5.761 -0.646 4.124 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.947 -1.754 2.417 1.00 10.00 H new ATOM 526 N CYS A 48 0.811 0.440 3.253 1.00 10.00 N ATOM 527 CA CYS A 48 1.700 -0.689 3.015 1.00 10.00 C ATOM 528 C CYS A 48 2.047 -1.387 4.332 1.00 10.00 C ATOM 529 O CYS A 48 1.948 -2.613 4.442 1.00 10.00 O ATOM 530 CB CYS A 48 2.969 -0.201 2.302 1.00 10.00 C ATOM 531 SG CYS A 48 4.439 -1.217 2.570 1.00 10.00 S ATOM 0 H CYS A 48 1.205 1.343 2.988 1.00 10.00 H new ATOM 0 HA CYS A 48 1.195 -1.415 2.377 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.770 -0.153 1.231 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.184 0.815 2.632 1.00 10.00 H new ATOM 0 HG CYS A 48 4.083 -2.452 2.764 1.00 10.00 H new ATOM 537 N GLU A 49 2.427 -0.598 5.330 1.00 10.00 N ATOM 538 CA GLU A 49 2.775 -1.126 6.644 1.00 10.00 C ATOM 539 C GLU A 49 1.535 -1.679 7.341 1.00 10.00 C ATOM 540 O GLU A 49 1.596 -2.695 8.033 1.00 10.00 O ATOM 541 CB GLU A 49 3.399 -0.024 7.505 1.00 10.00 C ATOM 542 CG GLU A 49 4.761 0.444 7.022 1.00 10.00 C ATOM 543 CD GLU A 49 5.812 -0.641 7.103 1.00 10.00 C ATOM 544 OE1 GLU A 49 5.681 -1.538 7.963 1.00 10.00 O ATOM 545 OE2 GLU A 49 6.779 -0.595 6.314 1.00 10.00 O ATOM 0 H GLU A 49 2.502 0.416 5.253 1.00 10.00 H new ATOM 0 HA GLU A 49 3.496 -1.932 6.512 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.722 0.830 7.531 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.493 -0.387 8.528 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.678 0.788 5.991 1.00 10.00 H new ATOM 0 HG3 GLU A 49 5.080 1.299 7.619 1.00 10.00 H new ATOM 552 N ARG A 50 0.411 -1.000 7.132 1.00 10.00 N ATOM 553 CA ARG A 50 -0.875 -1.380 7.721 1.00 10.00 C ATOM 554 C ARG A 50 -1.253 -2.817 7.363 1.00 10.00 C ATOM 555 O ARG A 50 -1.712 -3.582 8.212 1.00 10.00 O ATOM 556 CB ARG A 50 -1.954 -0.420 7.223 1.00 10.00 C ATOM 557 CG ARG A 50 -3.227 -0.381 8.058 1.00 10.00 C ATOM 558 CD ARG A 50 -3.683 1.045 8.222 1.00 10.00 C ATOM 559 NE ARG A 50 -2.877 1.750 9.210 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.394 2.382 10.252 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.706 2.387 10.430 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.601 3.001 11.113 1.00 10.00 N ATOM 0 H ARG A 50 0.363 -0.166 6.547 1.00 10.00 H new ATOM 0 HA ARG A 50 -0.790 -1.321 8.806 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.533 0.585 7.185 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.218 -0.694 6.202 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.008 -0.969 7.576 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.047 -0.830 9.035 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -3.621 1.561 7.264 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.730 1.061 8.525 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.864 1.757 9.093 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.313 1.906 9.766 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.110 2.872 11.231 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.591 2.991 10.974 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.001 3.488 11.915 1.00 10.00 H new ATOM 576 N GLN A 51 -1.061 -3.179 6.102 1.00 10.00 N ATOM 577 CA GLN A 51 -1.387 -4.521 5.640 1.00 10.00 C ATOM 578 C GLN A 51 -0.233 -5.486 5.898 1.00 10.00 C ATOM 579 O GLN A 51 -0.381 -6.701 5.757 1.00 10.00 O ATOM 580 CB GLN A 51 -1.750 -4.501 4.155 1.00 10.00 C ATOM 581 CG GLN A 51 -3.010 -3.699 3.841 1.00 10.00 C ATOM 582 CD GLN A 51 -4.278 -4.329 4.402 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.257 -4.996 5.438 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.396 -4.116 3.723 1.00 10.00 N ATOM 0 H GLN A 51 -0.682 -2.564 5.382 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.251 -4.873 6.204 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.915 -4.084 3.592 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -1.887 -5.526 3.810 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -2.902 -2.693 4.246 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.109 -3.599 2.760 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.376 -3.559 2.869 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.277 -4.509 4.054 1.00 10.00 H new ATOM 593 N GLY A 52 0.913 -4.940 6.285 1.00 10.00 N ATOM 594 CA GLY A 52 2.075 -5.761 6.566 1.00 10.00 C ATOM 595 C GLY A 52 2.704 -6.317 5.305 1.00 10.00 C ATOM 596 O GLY A 52 3.298 -7.394 5.320 1.00 10.00 O ATOM 0 H GLY A 52 1.059 -3.938 6.410 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.813 -5.169 7.107 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.786 -6.585 7.219 1.00 10.00 H new ATOM 600 N LEU A 53 2.575 -5.581 4.214 1.00 10.00 N ATOM 601 CA LEU A 53 3.127 -6.008 2.938 1.00 10.00 C ATOM 602 C LEU A 53 4.206 -5.034 2.488 1.00 10.00 C ATOM 603 O LEU A 53 4.510 -4.070 3.193 1.00 10.00 O ATOM 604 CB LEU A 53 2.022 -6.099 1.882 1.00 10.00 C ATOM 605 CG LEU A 53 0.862 -7.033 2.232 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.231 -6.943 1.179 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.351 -8.467 2.373 1.00 10.00 C ATOM 0 H LEU A 53 2.092 -4.683 4.186 1.00 10.00 H new ATOM 0 HA LEU A 53 3.570 -6.996 3.060 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.623 -5.099 1.709 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.465 -6.432 0.943 1.00 10.00 H new ATOM 0 HG LEU A 53 0.446 -6.718 3.189 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.048 -7.614 1.444 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.604 -5.920 1.128 1.00 10.00 H new ATOM 0 HD13 LEU A 53 0.174 -7.230 0.209 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.511 -9.115 2.622 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.795 -8.794 1.433 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.098 -8.521 3.165 1.00 10.00 H new ATOM 619 N SER A 54 4.781 -5.288 1.325 1.00 10.00 N ATOM 620 CA SER A 54 5.823 -4.429 0.788 1.00 10.00 C ATOM 621 C SER A 54 5.237 -3.440 -0.212 1.00 10.00 C ATOM 622 O SER A 54 4.286 -3.757 -0.930 1.00 10.00 O ATOM 623 CB SER A 54 6.910 -5.272 0.114 1.00 10.00 C ATOM 624 OG SER A 54 7.844 -4.448 -0.566 1.00 10.00 O ATOM 0 H SER A 54 4.543 -6.084 0.733 1.00 10.00 H new ATOM 0 HA SER A 54 6.267 -3.871 1.612 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.427 -5.872 0.863 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.452 -5.967 -0.590 1.00 10.00 H new ATOM 0 HG SER A 54 8.529 -5.008 -0.987 1.00 10.00 H new ATOM 630 N MET A 55 5.820 -2.245 -0.267 1.00 10.00 N ATOM 631 CA MET A 55 5.360 -1.211 -1.185 1.00 10.00 C ATOM 632 C MET A 55 5.731 -1.575 -2.622 1.00 10.00 C ATOM 633 O MET A 55 5.270 -0.946 -3.573 1.00 10.00 O ATOM 634 CB MET A 55 5.951 0.150 -0.814 1.00 10.00 C ATOM 635 CG MET A 55 5.116 1.322 -1.305 1.00 10.00 C ATOM 636 SD MET A 55 5.888 2.920 -0.984 1.00 10.00 S ATOM 637 CE MET A 55 7.283 2.854 -2.103 1.00 10.00 C ATOM 0 H MET A 55 6.612 -1.970 0.314 1.00 10.00 H new ATOM 0 HA MET A 55 4.275 -1.144 -1.107 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.050 0.212 0.270 1.00 10.00 H new ATOM 0 HB3 MET A 55 6.955 0.228 -1.231 1.00 10.00 H new ATOM 0 HG2 MET A 55 4.945 1.216 -2.376 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.139 1.293 -0.822 1.00 10.00 H new ATOM 0 HE1 MET A 55 7.657 3.863 -2.278 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.073 2.245 -1.664 1.00 10.00 H new ATOM 0 HE3 MET A 55 6.969 2.414 -3.050 1.00 10.00 H new ATOM 647 N ARG A 56 6.569 -2.594 -2.774 1.00 10.00 N ATOM 648 CA ARG A 56 6.979 -3.052 -4.094 1.00 10.00 C ATOM 649 C ARG A 56 6.095 -4.216 -4.535 1.00 10.00 C ATOM 650 O ARG A 56 6.189 -4.696 -5.664 1.00 10.00 O ATOM 651 CB ARG A 56 8.453 -3.469 -4.100 1.00 10.00 C ATOM 652 CG ARG A 56 9.032 -3.607 -5.498 1.00 10.00 C ATOM 653 CD ARG A 56 10.501 -3.999 -5.467 1.00 10.00 C ATOM 654 NE ARG A 56 10.984 -4.392 -6.790 1.00 10.00 N ATOM 655 CZ ARG A 56 11.779 -3.644 -7.559 1.00 10.00 C ATOM 656 NH1 ARG A 56 12.217 -2.466 -7.125 1.00 10.00 N ATOM 657 NH2 ARG A 56 12.134 -4.075 -8.764 1.00 10.00 N ATOM 0 H ARG A 56 6.977 -3.118 -2.000 1.00 10.00 H new ATOM 0 HA ARG A 56 6.863 -2.227 -4.797 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.034 -2.733 -3.544 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.557 -4.419 -3.576 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.468 -4.357 -6.052 1.00 10.00 H new ATOM 0 HG3 ARG A 56 8.919 -2.664 -6.032 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.093 -3.162 -5.097 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.643 -4.823 -4.768 1.00 10.00 H new ATOM 0 HE ARG A 56 10.693 -5.301 -7.151 1.00 10.00 H new ATOM 0 HH11 ARG A 56 11.946 -2.130 -6.201 1.00 10.00 H new ATOM 0 HH12 ARG A 56 12.824 -1.898 -7.716 1.00 10.00 H new ATOM 0 HH21 ARG A 56 11.799 -4.977 -9.102 1.00 10.00 H new ATOM 0 HH22 ARG A 56 12.741 -3.504 -9.352 1.00 10.00 H new ATOM 671 N GLN A 57 5.216 -4.648 -3.640 1.00 10.00 N ATOM 672 CA GLN A 57 4.303 -5.746 -3.928 1.00 10.00 C ATOM 673 C GLN A 57 2.975 -5.200 -4.439 1.00 10.00 C ATOM 674 O GLN A 57 2.351 -5.773 -5.330 1.00 10.00 O ATOM 675 CB GLN A 57 4.079 -6.589 -2.673 1.00 10.00 C ATOM 676 CG GLN A 57 3.182 -7.794 -2.897 1.00 10.00 C ATOM 677 CD GLN A 57 2.872 -8.538 -1.615 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.676 -8.554 -0.683 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.700 -9.149 -1.553 1.00 10.00 N ATOM 0 H GLN A 57 5.116 -4.253 -2.705 1.00 10.00 H new ATOM 0 HA GLN A 57 4.744 -6.378 -4.699 1.00 10.00 H new ATOM 0 HB2 GLN A 57 5.044 -6.931 -2.299 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.641 -5.961 -1.898 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.250 -7.467 -3.357 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.663 -8.474 -3.600 1.00 10.00 H new ATOM 0 HE21 GLN A 57 1.062 -9.111 -2.348 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.434 -9.658 -0.710 1.00 10.00 H new ATOM 688 N ILE A 58 2.553 -4.078 -3.872 1.00 10.00 N ATOM 689 CA ILE A 58 1.302 -3.447 -4.270 1.00 10.00 C ATOM 690 C ILE A 58 1.565 -2.277 -5.213 1.00 10.00 C ATOM 691 O ILE A 58 2.701 -1.822 -5.346 1.00 10.00 O ATOM 692 CB ILE A 58 0.499 -2.956 -3.045 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.383 -2.099 -2.129 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.077 -4.141 -2.282 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.672 -1.600 -0.888 1.00 10.00 C ATOM 0 H ILE A 58 3.058 -3.586 -3.135 1.00 10.00 H new ATOM 0 HA ILE A 58 0.710 -4.201 -4.789 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.327 -2.337 -3.396 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.253 -2.683 -1.828 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.753 -1.243 -2.693 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.640 -3.780 -1.421 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.738 -4.709 -2.937 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.735 -4.783 -1.941 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.360 -1.002 -0.290 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -0.182 -0.988 -1.179 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.325 -2.450 -0.301 1.00 10.00 H new ATOM 707 N ARG A 59 0.523 -1.810 -5.884 1.00 10.00 N ATOM 708 CA ARG A 59 0.647 -0.696 -6.817 1.00 10.00 C ATOM 709 C ARG A 59 -0.485 0.304 -6.617 1.00 10.00 C ATOM 710 O ARG A 59 -1.658 -0.069 -6.611 1.00 10.00 O ATOM 711 CB ARG A 59 0.642 -1.199 -8.268 1.00 10.00 C ATOM 712 CG ARG A 59 1.877 -1.994 -8.656 1.00 10.00 C ATOM 713 CD ARG A 59 3.144 -1.159 -8.541 1.00 10.00 C ATOM 714 NE ARG A 59 4.321 -1.897 -8.988 1.00 10.00 N ATOM 715 CZ ARG A 59 4.964 -2.791 -8.242 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.560 -3.039 -7.001 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.018 -3.427 -8.732 1.00 10.00 N ATOM 0 H ARG A 59 -0.422 -2.185 -5.801 1.00 10.00 H new ATOM 0 HA ARG A 59 1.597 -0.199 -6.618 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.240 -1.821 -8.422 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.549 -0.343 -8.937 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.961 -2.872 -8.015 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.771 -2.355 -9.679 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.037 -0.251 -9.135 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.282 -0.848 -7.506 1.00 10.00 H new ATOM 0 HE ARG A 59 4.672 -1.716 -9.929 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.755 -2.543 -6.618 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.055 -3.725 -6.431 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.336 -3.231 -9.681 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.511 -4.113 -8.160 1.00 10.00 H new ATOM 731 N PHE A 60 -0.127 1.567 -6.453 1.00 10.00 N ATOM 732 CA PHE A 60 -1.109 2.625 -6.259 1.00 10.00 C ATOM 733 C PHE A 60 -1.400 3.325 -7.578 1.00 10.00 C ATOM 734 O PHE A 60 -0.486 3.656 -8.336 1.00 10.00 O ATOM 735 CB PHE A 60 -0.602 3.642 -5.235 1.00 10.00 C ATOM 736 CG PHE A 60 -0.793 3.225 -3.805 1.00 10.00 C ATOM 737 CD1 PHE A 60 -0.081 2.161 -3.275 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.679 3.907 -2.988 1.00 10.00 C ATOM 739 CE1 PHE A 60 -0.248 1.786 -1.956 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.852 3.538 -1.668 1.00 10.00 C ATOM 741 CZ PHE A 60 -1.135 2.475 -1.153 1.00 10.00 C ATOM 0 H PHE A 60 0.841 1.887 -6.450 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.029 2.175 -5.885 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.459 3.820 -5.411 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.115 4.590 -5.397 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.613 1.619 -3.900 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.242 4.738 -3.388 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.314 0.956 -1.554 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.545 4.079 -1.041 1.00 10.00 H new ATOM 0 HZ PHE A 60 -1.268 2.183 -0.122 1.00 10.00 H new ATOM 751 N ARG A 61 -2.676 3.533 -7.859 1.00 10.00 N ATOM 752 CA ARG A 61 -3.090 4.194 -9.086 1.00 10.00 C ATOM 753 C ARG A 61 -4.111 5.286 -8.789 1.00 10.00 C ATOM 754 O ARG A 61 -4.992 5.115 -7.946 1.00 10.00 O ATOM 755 CB ARG A 61 -3.686 3.179 -10.071 1.00 10.00 C ATOM 756 CG ARG A 61 -2.673 2.182 -10.617 1.00 10.00 C ATOM 757 CD ARG A 61 -3.295 1.278 -11.673 1.00 10.00 C ATOM 758 NE ARG A 61 -2.377 0.218 -12.101 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.508 -0.465 -13.242 1.00 10.00 C ATOM 760 NH1 ARG A 61 -3.504 -0.192 -14.073 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.636 -1.416 -13.557 1.00 10.00 N ATOM 0 H ARG A 61 -3.446 3.252 -7.251 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.209 4.649 -9.538 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.488 2.633 -9.574 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.137 3.718 -10.905 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -1.828 2.719 -11.048 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.282 1.575 -9.801 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.206 0.830 -11.275 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.585 1.876 -12.537 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.592 -0.012 -11.492 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -4.174 0.542 -13.842 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -3.600 -0.716 -14.943 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -0.862 -1.628 -12.927 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.740 -1.935 -14.429 1.00 10.00 H new ATOM 775 N PHE A 62 -3.970 6.408 -9.477 1.00 10.00 N ATOM 776 CA PHE A 62 -4.874 7.535 -9.323 1.00 10.00 C ATOM 777 C PHE A 62 -5.357 7.980 -10.695 1.00 10.00 C ATOM 778 O PHE A 62 -4.543 8.244 -11.586 1.00 10.00 O ATOM 779 CB PHE A 62 -4.185 8.700 -8.602 1.00 10.00 C ATOM 780 CG PHE A 62 -4.916 10.009 -8.741 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.103 10.231 -8.065 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.417 11.012 -9.560 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.779 11.429 -8.201 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.088 12.210 -9.700 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.273 12.421 -9.021 1.00 10.00 C ATOM 0 H PHE A 62 -3.226 6.562 -10.157 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.724 7.223 -8.716 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -4.090 8.457 -7.544 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.175 8.814 -8.995 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.505 9.460 -7.424 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.492 10.853 -10.095 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.703 11.590 -7.666 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.687 12.982 -10.340 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.802 13.356 -9.130 1.00 10.00 H new ATOM 795 N ASP A 63 -6.676 8.035 -10.868 1.00 10.00 N ATOM 796 CA ASP A 63 -7.283 8.447 -12.135 1.00 10.00 C ATOM 797 C ASP A 63 -6.867 7.493 -13.256 1.00 10.00 C ATOM 798 O ASP A 63 -6.863 7.849 -14.434 1.00 10.00 O ATOM 799 CB ASP A 63 -6.891 9.896 -12.468 1.00 10.00 C ATOM 800 CG ASP A 63 -7.771 10.518 -13.535 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.010 10.374 -13.447 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.228 11.168 -14.458 1.00 10.00 O ATOM 0 H ASP A 63 -7.351 7.798 -10.141 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.368 8.404 -12.038 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -6.947 10.499 -11.562 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -5.854 9.918 -12.802 1.00 10.00 H new ATOM 807 N GLY A 64 -6.522 6.268 -12.873 1.00 10.00 N ATOM 808 CA GLY A 64 -6.106 5.267 -13.836 1.00 10.00 C ATOM 809 C GLY A 64 -4.610 5.291 -14.107 1.00 10.00 C ATOM 810 O GLY A 64 -4.086 4.417 -14.792 1.00 10.00 O ATOM 0 H GLY A 64 -6.524 5.950 -11.904 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.388 4.280 -13.471 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.642 5.426 -14.772 1.00 10.00 H new ATOM 814 N GLN A 65 -3.920 6.280 -13.552 1.00 10.00 N ATOM 815 CA GLN A 65 -2.482 6.412 -13.759 1.00 10.00 C ATOM 816 C GLN A 65 -1.708 6.033 -12.500 1.00 10.00 C ATOM 817 O GLN A 65 -2.107 6.394 -11.393 1.00 10.00 O ATOM 818 CB GLN A 65 -2.143 7.847 -14.173 1.00 10.00 C ATOM 819 CG GLN A 65 -2.702 8.230 -15.534 1.00 10.00 C ATOM 820 CD GLN A 65 -2.038 7.480 -16.674 1.00 10.00 C ATOM 821 OE1 GLN A 65 -2.689 7.105 -17.652 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.735 7.274 -16.570 1.00 10.00 N ATOM 0 H GLN A 65 -4.330 7.000 -12.957 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.188 5.728 -14.555 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.531 8.535 -13.422 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.060 7.967 -14.186 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.774 8.032 -15.550 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.573 9.302 -15.686 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -0.231 7.600 -15.745 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -0.234 6.790 -17.315 1.00 10.00 H new ATOM 831 N PRO A 66 -0.602 5.280 -12.645 1.00 10.00 N ATOM 832 CA PRO A 66 0.226 4.866 -11.504 1.00 10.00 C ATOM 833 C PRO A 66 0.885 6.058 -10.807 1.00 10.00 C ATOM 834 O PRO A 66 1.488 6.911 -11.457 1.00 10.00 O ATOM 835 CB PRO A 66 1.296 3.961 -12.131 1.00 10.00 C ATOM 836 CG PRO A 66 0.772 3.600 -13.479 1.00 10.00 C ATOM 837 CD PRO A 66 -0.076 4.757 -13.918 1.00 10.00 C ATOM 0 HA PRO A 66 -0.368 4.370 -10.736 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.252 4.479 -12.207 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.463 3.071 -11.524 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.588 3.426 -14.181 1.00 10.00 H new ATOM 0 HG3 PRO A 66 0.187 2.681 -13.437 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.508 5.506 -14.452 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.877 4.441 -14.587 1.00 10.00 H new ATOM 845 N ILE A 67 0.774 6.098 -9.487 1.00 10.00 N ATOM 846 CA ILE A 67 1.352 7.180 -8.702 1.00 10.00 C ATOM 847 C ILE A 67 2.857 6.974 -8.538 1.00 10.00 C ATOM 848 O ILE A 67 3.329 5.836 -8.464 1.00 10.00 O ATOM 849 CB ILE A 67 0.683 7.277 -7.310 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.838 7.413 -7.456 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.245 8.445 -6.509 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.574 7.455 -6.132 1.00 10.00 C ATOM 0 H ILE A 67 0.287 5.391 -8.935 1.00 10.00 H new ATOM 0 HA ILE A 67 1.174 8.113 -9.237 1.00 10.00 H new ATOM 0 HB ILE A 67 0.904 6.358 -6.766 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.061 8.322 -8.015 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.214 6.576 -8.045 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.756 8.488 -5.536 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.318 8.309 -6.370 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.064 9.376 -7.047 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.644 7.552 -6.314 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.382 6.535 -5.579 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.226 8.308 -5.549 1.00 10.00 H new ATOM 864 N ASN A 68 3.608 8.068 -8.513 1.00 10.00 N ATOM 865 CA ASN A 68 5.054 7.998 -8.354 1.00 10.00 C ATOM 866 C ASN A 68 5.434 8.352 -6.921 1.00 10.00 C ATOM 867 O ASN A 68 4.610 8.854 -6.157 1.00 10.00 O ATOM 868 CB ASN A 68 5.760 8.944 -9.332 1.00 10.00 C ATOM 869 CG ASN A 68 5.365 8.700 -10.778 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.015 7.938 -11.495 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.290 9.340 -11.213 1.00 10.00 N ATOM 0 H ASN A 68 3.239 9.015 -8.601 1.00 10.00 H new ATOM 0 HA ASN A 68 5.375 6.980 -8.573 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.526 9.975 -9.066 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.839 8.825 -9.230 1.00 10.00 H new ATOM 0 HD21 ASN A 68 3.973 9.210 -12.174 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.779 9.963 -10.587 1.00 10.00 H new ATOM 878 N GLU A 69 6.687 8.112 -6.565 1.00 10.00 N ATOM 879 CA GLU A 69 7.169 8.392 -5.216 1.00 10.00 C ATOM 880 C GLU A 69 7.581 9.856 -5.065 1.00 10.00 C ATOM 881 O GLU A 69 8.187 10.241 -4.065 1.00 10.00 O ATOM 882 CB GLU A 69 8.357 7.487 -4.885 1.00 10.00 C ATOM 883 CG GLU A 69 8.126 6.021 -5.219 1.00 10.00 C ATOM 884 CD GLU A 69 9.422 5.270 -5.437 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.623 4.218 -4.792 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.248 5.730 -6.253 1.00 10.00 O ATOM 0 H GLU A 69 7.392 7.723 -7.191 1.00 10.00 H new ATOM 0 HA GLU A 69 6.353 8.193 -4.522 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.233 7.840 -5.429 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.584 7.576 -3.823 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.568 5.550 -4.410 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.511 5.948 -6.116 1.00 10.00 H new ATOM 893 N THR A 70 7.258 10.664 -6.062 1.00 10.00 N ATOM 894 CA THR A 70 7.591 12.082 -6.037 1.00 10.00 C ATOM 895 C THR A 70 6.363 12.927 -6.352 1.00 10.00 C ATOM 896 O THR A 70 6.475 14.088 -6.743 1.00 10.00 O ATOM 897 CB THR A 70 8.705 12.403 -7.052 1.00 10.00 C ATOM 898 OG1 THR A 70 9.447 11.213 -7.348 1.00 10.00 O ATOM 899 CG2 THR A 70 9.649 13.465 -6.507 1.00 10.00 C ATOM 0 H THR A 70 6.764 10.362 -6.902 1.00 10.00 H new ATOM 0 HA THR A 70 7.945 12.321 -5.034 1.00 10.00 H new ATOM 0 HB THR A 70 8.240 12.785 -7.961 1.00 10.00 H new ATOM 0 HG1 THR A 70 10.153 11.420 -7.995 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.426 13.673 -7.243 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.090 14.378 -6.301 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.108 13.106 -5.586 1.00 10.00 H new ATOM 907 N ASP A 71 5.188 12.336 -6.168 1.00 10.00 N ATOM 908 CA ASP A 71 3.939 13.035 -6.444 1.00 10.00 C ATOM 909 C ASP A 71 3.247 13.449 -5.152 1.00 10.00 C ATOM 910 O ASP A 71 3.381 12.789 -4.119 1.00 10.00 O ATOM 911 CB ASP A 71 2.992 12.158 -7.270 1.00 10.00 C ATOM 912 CG ASP A 71 3.373 12.089 -8.737 1.00 10.00 C ATOM 913 OD1 ASP A 71 3.639 13.151 -9.347 1.00 10.00 O ATOM 914 OD2 ASP A 71 3.402 10.970 -9.289 1.00 10.00 O ATOM 0 H ASP A 71 5.074 11.380 -5.831 1.00 10.00 H new ATOM 0 HA ASP A 71 4.186 13.929 -7.016 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.985 11.150 -6.855 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.977 12.546 -7.182 1.00 10.00 H new ATOM 919 N THR A 72 2.523 14.554 -5.221 1.00 10.00 N ATOM 920 CA THR A 72 1.786 15.082 -4.083 1.00 10.00 C ATOM 921 C THR A 72 0.342 15.351 -4.501 1.00 10.00 C ATOM 922 O THR A 72 0.045 15.369 -5.700 1.00 10.00 O ATOM 923 CB THR A 72 2.414 16.397 -3.564 1.00 10.00 C ATOM 924 OG1 THR A 72 2.545 17.336 -4.639 1.00 10.00 O ATOM 925 CG2 THR A 72 3.780 16.151 -2.938 1.00 10.00 C ATOM 0 H THR A 72 2.429 15.112 -6.070 1.00 10.00 H new ATOM 0 HA THR A 72 1.823 14.344 -3.282 1.00 10.00 H new ATOM 0 HB THR A 72 1.752 16.802 -2.798 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.942 18.166 -4.302 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.193 17.095 -2.584 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.677 15.462 -2.099 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.449 15.719 -3.682 1.00 10.00 H new ATOM 933 N PRO A 73 -0.585 15.551 -3.544 1.00 10.00 N ATOM 934 CA PRO A 73 -1.988 15.833 -3.861 1.00 10.00 C ATOM 935 C PRO A 73 -2.119 17.078 -4.731 1.00 10.00 C ATOM 936 O PRO A 73 -2.920 17.119 -5.662 1.00 10.00 O ATOM 937 CB PRO A 73 -2.638 16.059 -2.490 1.00 10.00 C ATOM 938 CG PRO A 73 -1.742 15.363 -1.526 1.00 10.00 C ATOM 939 CD PRO A 73 -0.354 15.501 -2.088 1.00 10.00 C ATOM 0 HA PRO A 73 -2.456 15.026 -4.425 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.718 17.122 -2.260 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.648 15.650 -2.458 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.809 15.812 -0.535 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -2.019 14.314 -1.421 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.139 16.404 -1.727 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.279 14.659 -1.809 1.00 10.00 H new ATOM 947 N ALA A 74 -1.301 18.081 -4.434 1.00 10.00 N ATOM 948 CA ALA A 74 -1.306 19.326 -5.183 1.00 10.00 C ATOM 949 C ALA A 74 -0.681 19.133 -6.563 1.00 10.00 C ATOM 950 O ALA A 74 -1.074 19.785 -7.530 1.00 10.00 O ATOM 951 CB ALA A 74 -0.563 20.404 -4.410 1.00 10.00 C ATOM 0 H ALA A 74 -0.622 18.053 -3.673 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.340 19.641 -5.321 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.573 21.333 -4.980 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.051 20.564 -3.448 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.468 20.089 -4.246 1.00 10.00 H new ATOM 957 N GLN A 75 0.288 18.227 -6.646 1.00 10.00 N ATOM 958 CA GLN A 75 0.971 17.939 -7.903 1.00 10.00 C ATOM 959 C GLN A 75 0.021 17.256 -8.882 1.00 10.00 C ATOM 960 O GLN A 75 0.052 17.522 -10.085 1.00 10.00 O ATOM 961 CB GLN A 75 2.191 17.055 -7.643 1.00 10.00 C ATOM 962 CG GLN A 75 2.982 16.694 -8.885 1.00 10.00 C ATOM 963 CD GLN A 75 3.514 17.909 -9.615 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.805 18.939 -9.007 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.648 17.797 -10.925 1.00 10.00 N ATOM 0 H GLN A 75 0.619 17.677 -5.854 1.00 10.00 H new ATOM 0 HA GLN A 75 1.303 18.878 -8.345 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.852 17.566 -6.943 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.861 16.136 -7.158 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.816 16.050 -8.605 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.348 16.119 -9.560 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.395 16.925 -11.391 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.004 18.582 -11.470 1.00 10.00 H new ATOM 974 N LEU A 76 -0.823 16.379 -8.360 1.00 10.00 N ATOM 975 CA LEU A 76 -1.791 15.672 -9.188 1.00 10.00 C ATOM 976 C LEU A 76 -3.111 16.436 -9.228 1.00 10.00 C ATOM 977 O LEU A 76 -4.069 16.009 -9.875 1.00 10.00 O ATOM 978 CB LEU A 76 -2.006 14.248 -8.666 1.00 10.00 C ATOM 979 CG LEU A 76 -0.823 13.295 -8.863 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.124 11.938 -8.253 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.497 13.144 -10.342 1.00 10.00 C ATOM 0 H LEU A 76 -0.858 16.139 -7.369 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.399 15.607 -10.203 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.237 14.299 -7.602 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.879 13.825 -9.162 1.00 10.00 H new ATOM 0 HG LEU A 76 0.044 13.720 -8.357 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.272 11.275 -8.403 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.311 12.052 -7.185 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.005 11.511 -8.732 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.346 12.463 -10.461 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.364 12.743 -10.867 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.239 14.117 -10.759 1.00 10.00 H new ATOM 993 N GLU A 77 -3.137 17.575 -8.532 1.00 10.00 N ATOM 994 CA GLU A 77 -4.313 18.444 -8.458 1.00 10.00 C ATOM 995 C GLU A 77 -5.543 17.678 -7.976 1.00 10.00 C ATOM 996 O GLU A 77 -6.646 17.834 -8.508 1.00 10.00 O ATOM 997 CB GLU A 77 -4.578 19.105 -9.812 1.00 10.00 C ATOM 998 CG GLU A 77 -3.384 19.888 -10.329 1.00 10.00 C ATOM 999 CD GLU A 77 -3.728 20.741 -11.529 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -3.820 21.978 -11.376 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -3.896 20.184 -12.633 1.00 10.00 O ATOM 0 H GLU A 77 -2.338 17.922 -8.001 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.106 19.226 -7.727 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.846 18.338 -10.539 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -5.434 19.774 -9.723 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -2.999 20.525 -9.533 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -2.587 19.194 -10.597 1.00 10.00 H new ATOM 1008 N MET A 78 -5.337 16.862 -6.955 1.00 10.00 N ATOM 1009 CA MET A 78 -6.407 16.065 -6.376 1.00 10.00 C ATOM 1010 C MET A 78 -7.273 16.945 -5.497 1.00 10.00 C ATOM 1011 O MET A 78 -6.789 17.924 -4.925 1.00 10.00 O ATOM 1012 CB MET A 78 -5.826 14.915 -5.551 1.00 10.00 C ATOM 1013 CG MET A 78 -4.787 14.100 -6.300 1.00 10.00 C ATOM 1014 SD MET A 78 -3.886 12.962 -5.228 1.00 10.00 S ATOM 1015 CE MET A 78 -5.177 11.792 -4.817 1.00 10.00 C ATOM 0 H MET A 78 -4.430 16.734 -6.507 1.00 10.00 H new ATOM 0 HA MET A 78 -7.013 15.645 -7.179 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.375 15.319 -4.645 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.636 14.257 -5.238 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.277 13.534 -7.092 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.080 14.775 -6.781 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.365 11.819 -3.744 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.090 12.055 -5.352 1.00 10.00 H new ATOM 0 HE3 MET A 78 -4.864 10.788 -5.105 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.544 16.609 -5.386 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.452 17.396 -4.571 1.00 10.00 C ATOM 1027 C GLU A 79 -9.917 16.609 -3.360 1.00 10.00 C ATOM 1028 O GLU A 79 -9.574 15.437 -3.193 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.660 17.873 -5.385 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.665 19.375 -5.632 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.064 20.159 -4.480 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -9.182 21.005 -4.728 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -10.460 19.930 -3.315 1.00 10.00 O ATOM 0 H GLU A 79 -8.969 15.804 -5.845 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.903 18.273 -4.227 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.671 17.354 -6.344 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.575 17.595 -4.861 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.108 19.591 -6.543 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.689 19.709 -5.798 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.684 17.270 -2.511 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.211 16.649 -1.311 1.00 10.00 C ATOM 1042 C ASP A 80 -12.174 15.530 -1.674 1.00 10.00 C ATOM 1043 O ASP A 80 -12.939 15.647 -2.632 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.913 17.689 -0.444 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.131 17.219 0.981 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -11.359 16.363 1.460 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -13.071 17.720 1.634 1.00 10.00 O ATOM 0 H ASP A 80 -10.957 18.245 -2.633 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.382 16.224 -0.746 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.321 18.604 -0.433 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.876 17.937 -0.891 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.102 14.441 -0.916 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.947 13.269 -1.126 1.00 10.00 C ATOM 1054 C GLU A 81 -12.597 12.554 -2.432 1.00 10.00 C ATOM 1055 O GLU A 81 -13.449 11.893 -3.035 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.434 13.644 -1.096 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.930 14.027 0.287 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.424 13.838 0.444 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.050 14.615 1.195 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.979 12.902 -0.172 1.00 10.00 O ATOM 0 H GLU A 81 -11.453 14.345 -0.135 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.754 12.579 -0.304 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.605 14.476 -1.779 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -15.021 12.803 -1.465 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.411 13.426 1.034 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.677 15.069 0.484 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.341 12.675 -2.855 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.877 12.019 -4.078 1.00 10.00 C ATOM 1069 C ASP A 82 -10.729 10.520 -3.833 1.00 10.00 C ATOM 1070 O ASP A 82 -10.893 10.056 -2.704 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.542 12.609 -4.545 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.430 12.668 -6.057 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.734 11.651 -6.724 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.043 13.732 -6.584 1.00 10.00 O ATOM 0 H ASP A 82 -10.627 13.219 -2.371 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.615 12.188 -4.862 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.429 13.613 -4.136 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.724 12.009 -4.146 1.00 10.00 H new ATOM 1079 N THR A 83 -10.397 9.767 -4.870 1.00 10.00 N ATOM 1080 CA THR A 83 -10.267 8.323 -4.740 1.00 10.00 C ATOM 1081 C THR A 83 -8.927 7.807 -5.264 1.00 10.00 C ATOM 1082 O THR A 83 -8.399 8.301 -6.258 1.00 10.00 O ATOM 1083 CB THR A 83 -11.413 7.611 -5.487 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.592 8.427 -5.459 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.714 6.260 -4.859 1.00 10.00 C ATOM 0 H THR A 83 -10.213 10.128 -5.806 1.00 10.00 H new ATOM 0 HA THR A 83 -10.318 8.099 -3.675 1.00 10.00 H new ATOM 0 HB THR A 83 -11.101 7.451 -6.519 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.317 7.971 -5.936 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.526 5.778 -5.404 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.824 5.632 -4.903 1.00 10.00 H new ATOM 0 HG23 THR A 83 -12.008 6.400 -3.819 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.381 6.815 -4.565 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.118 6.194 -4.943 1.00 10.00 C ATOM 1095 C ILE A 84 -7.292 4.679 -5.005 1.00 10.00 C ATOM 1096 O ILE A 84 -7.953 4.088 -4.145 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.987 6.536 -3.943 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.890 8.050 -3.742 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.653 5.981 -4.432 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.880 8.461 -2.691 1.00 10.00 C ATOM 0 H ILE A 84 -8.802 6.421 -3.723 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.835 6.585 -5.921 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.225 6.072 -2.986 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.625 8.517 -4.690 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.871 8.434 -3.461 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.870 6.231 -3.716 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.723 4.898 -4.529 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.411 6.417 -5.401 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.867 9.547 -2.604 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.155 8.023 -1.731 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.890 8.108 -2.980 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.702 4.057 -6.014 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.812 2.613 -6.189 1.00 10.00 C ATOM 1114 C ASP A 85 -5.531 1.898 -5.792 1.00 10.00 C ATOM 1115 O ASP A 85 -4.430 2.348 -6.113 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.131 2.268 -7.642 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.602 2.375 -7.966 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -9.411 1.659 -7.338 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.956 3.172 -8.862 1.00 10.00 O ATOM 0 H ASP A 85 -6.142 4.527 -6.725 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.621 2.278 -5.539 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.571 2.934 -8.299 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.792 1.254 -7.851 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.684 0.783 -5.093 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.552 -0.027 -4.670 1.00 10.00 C ATOM 1126 C VAL A 86 -4.671 -1.418 -5.271 1.00 10.00 C ATOM 1127 O VAL A 86 -5.636 -2.134 -5.006 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.470 -0.150 -3.133 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.247 -0.955 -2.723 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.446 1.223 -2.489 1.00 10.00 C ATOM 0 H VAL A 86 -6.591 0.416 -4.805 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.645 0.467 -5.019 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.358 -0.677 -2.784 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.208 -1.030 -1.636 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.308 -1.955 -3.153 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.347 -0.459 -3.085 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.388 1.116 -1.406 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.578 1.777 -2.846 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.355 1.764 -2.752 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.710 -1.789 -6.095 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.714 -3.092 -6.736 1.00 10.00 C ATOM 1142 C PHE A 87 -2.497 -3.900 -6.308 1.00 10.00 C ATOM 1143 O PHE A 87 -1.659 -3.417 -5.549 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.727 -2.938 -8.255 1.00 10.00 C ATOM 1145 CG PHE A 87 -5.010 -2.371 -8.795 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -6.129 -3.175 -8.942 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -5.095 -1.036 -9.159 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -7.308 -2.658 -9.443 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -6.271 -0.515 -9.658 1.00 10.00 C ATOM 1150 CZ PHE A 87 -7.379 -1.326 -9.800 1.00 10.00 C ATOM 0 H PHE A 87 -2.911 -1.203 -6.338 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.615 -3.622 -6.427 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.901 -2.292 -8.553 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.550 -3.912 -8.711 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -6.079 -4.217 -8.662 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.231 -0.397 -9.051 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -8.173 -3.295 -9.555 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -6.325 0.527 -9.937 1.00 10.00 H new ATOM 0 HZ PHE A 87 -8.300 -0.919 -10.190 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.408 -5.130 -6.795 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.288 -6.005 -6.475 1.00 10.00 C ATOM 1162 C GLN A 88 -0.499 -6.321 -7.738 1.00 10.00 C ATOM 1163 O GLN A 88 -1.042 -6.268 -8.846 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.784 -7.305 -5.833 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.365 -7.119 -4.439 1.00 10.00 C ATOM 1166 CD GLN A 88 -1.543 -7.813 -3.365 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -0.327 -7.956 -3.487 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -2.205 -8.254 -2.307 1.00 10.00 N ATOM 0 H GLN A 88 -3.102 -5.546 -7.416 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.641 -5.492 -5.764 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.543 -7.750 -6.476 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -0.956 -8.012 -5.780 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -2.425 -6.054 -4.214 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.383 -7.507 -4.419 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -3.214 -8.116 -2.243 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -1.707 -8.732 -1.556 1.00 10.00 H new ATOM 1177 N GLN A 89 0.774 -6.631 -7.573 1.00 10.00 N ATOM 1178 CA GLN A 89 1.631 -6.960 -8.701 1.00 10.00 C ATOM 1179 C GLN A 89 1.627 -8.467 -8.946 1.00 10.00 C ATOM 1180 O GLN A 89 1.667 -9.257 -8.002 1.00 10.00 O ATOM 1181 CB GLN A 89 3.056 -6.463 -8.448 1.00 10.00 C ATOM 1182 CG GLN A 89 3.947 -6.471 -9.682 1.00 10.00 C ATOM 1183 CD GLN A 89 3.406 -5.604 -10.803 1.00 10.00 C ATOM 1184 OE1 GLN A 89 2.757 -4.582 -10.567 1.00 10.00 O ATOM 1185 NE2 GLN A 89 3.667 -6.007 -12.033 1.00 10.00 N ATOM 0 H GLN A 89 1.240 -6.662 -6.666 1.00 10.00 H new ATOM 0 HA GLN A 89 1.244 -6.463 -9.591 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.010 -5.448 -8.053 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.514 -7.084 -7.678 1.00 10.00 H new ATOM 0 HG2 GLN A 89 4.943 -6.123 -9.408 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.055 -7.495 -10.040 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.207 -6.858 -12.187 1.00 10.00 H new ATOM 0 HE22 GLN A 89 3.328 -5.467 -12.829 1.00 10.00 H new ATOM 1194 N GLN A 90 1.566 -8.856 -10.214 1.00 10.00 N ATOM 1195 CA GLN A 90 1.551 -10.263 -10.591 1.00 10.00 C ATOM 1196 C GLN A 90 2.876 -10.929 -10.231 1.00 10.00 C ATOM 1197 O GLN A 90 3.935 -10.527 -10.719 1.00 10.00 O ATOM 1198 CB GLN A 90 1.287 -10.415 -12.094 1.00 10.00 C ATOM 1199 CG GLN A 90 -0.078 -9.909 -12.540 1.00 10.00 C ATOM 1200 CD GLN A 90 -0.143 -8.397 -12.638 1.00 10.00 C ATOM 1201 OE1 GLN A 90 0.862 -7.736 -12.900 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -1.320 -7.841 -12.416 1.00 10.00 N ATOM 0 H GLN A 90 1.526 -8.211 -11.003 1.00 10.00 H new ATOM 0 HA GLN A 90 0.748 -10.752 -10.039 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.059 -9.877 -12.644 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.378 -11.467 -12.363 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -0.321 -10.342 -13.510 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.836 -10.256 -11.837 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -2.128 -8.426 -12.202 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -1.421 -6.827 -12.459 1.00 10.00 H new ATOM 1211 N THR A 91 2.815 -11.934 -9.372 1.00 10.00 N ATOM 1212 CA THR A 91 4.006 -12.644 -8.940 1.00 10.00 C ATOM 1213 C THR A 91 4.485 -13.646 -9.991 1.00 10.00 C ATOM 1214 O THR A 91 5.686 -13.753 -10.258 1.00 10.00 O ATOM 1215 CB THR A 91 3.749 -13.369 -7.612 1.00 10.00 C ATOM 1216 OG1 THR A 91 2.337 -13.499 -7.396 1.00 10.00 O ATOM 1217 CG2 THR A 91 4.378 -12.607 -6.457 1.00 10.00 C ATOM 0 H THR A 91 1.948 -12.277 -8.959 1.00 10.00 H new ATOM 0 HA THR A 91 4.791 -11.900 -8.801 1.00 10.00 H new ATOM 0 HB THR A 91 4.201 -14.359 -7.663 1.00 10.00 H new ATOM 0 HG1 THR A 91 1.942 -14.027 -8.121 1.00 10.00 H new ATOM 0 HG21 THR A 91 4.185 -13.136 -5.524 1.00 10.00 H new ATOM 0 HG22 THR A 91 5.454 -12.530 -6.615 1.00 10.00 H new ATOM 0 HG23 THR A 91 3.947 -11.607 -6.403 1.00 10.00 H new ATOM 1225 N GLY A 92 3.551 -14.367 -10.596 1.00 10.00 N ATOM 1226 CA GLY A 92 3.918 -15.340 -11.601 1.00 10.00 C ATOM 1227 C GLY A 92 2.902 -15.426 -12.717 1.00 10.00 C ATOM 1228 O GLY A 92 1.689 -15.366 -12.422 1.00 10.00 O ATOM 0 H GLY A 92 2.551 -14.295 -10.409 1.00 10.00 H new ATOM 0 HA2 GLY A 92 4.891 -15.079 -12.018 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.024 -16.319 -11.134 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.450 -3.448 6.051 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.557 -2.281 5.904 1.00 10.00 C ATOM 1235 C ASN B 357 -17.414 -2.357 6.900 1.00 10.00 C ATOM 1236 O ASN B 357 -17.629 -2.475 8.104 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.332 -0.976 6.123 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.439 0.256 6.057 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.541 0.338 5.216 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -18.666 1.216 6.948 1.00 10.00 N ATOM 0 HA ASN B 357 -18.154 -2.293 4.891 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.115 -0.893 5.370 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.826 -1.010 7.094 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -18.088 2.056 6.951 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.419 1.112 7.629 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.201 -2.276 6.390 1.00 10.00 N ATOM 1248 CA ASN B 358 -15.014 -2.300 7.223 1.00 10.00 C ATOM 1249 C ASN B 358 -14.299 -0.972 7.048 1.00 10.00 C ATOM 1250 O ASN B 358 -14.021 -0.557 5.925 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.098 -3.468 6.815 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.762 -3.453 7.533 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.675 -3.069 8.699 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.710 -3.877 6.842 1.00 10.00 N ATOM 0 H ASN B 358 -16.010 -2.192 5.392 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.285 -2.445 8.269 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.605 -4.410 7.023 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.926 -3.429 5.739 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.787 -3.893 7.276 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.825 -4.187 5.877 1.00 10.00 H new ATOM 1261 N ARG B 359 -14.012 -0.305 8.149 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.357 0.985 8.094 1.00 10.00 C ATOM 1263 C ARG B 359 -12.040 0.953 8.845 1.00 10.00 C ATOM 1264 O ARG B 359 -11.959 0.510 9.993 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.270 2.089 8.653 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.652 1.879 10.106 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.274 3.123 10.718 1.00 10.00 C ATOM 1268 NE ARG B 359 -15.490 2.965 12.153 1.00 10.00 N ATOM 1269 CZ ARG B 359 -16.382 3.658 12.859 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.141 4.572 12.266 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -16.519 3.435 14.158 1.00 10.00 N ATOM 0 H ARG B 359 -14.222 -0.635 9.091 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.150 1.212 7.048 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.767 3.051 8.553 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.177 2.139 8.051 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.355 1.049 10.180 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.767 1.599 10.676 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -14.625 3.980 10.539 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.224 3.334 10.227 1.00 10.00 H new ATOM 0 HE ARG B 359 -14.920 2.279 12.648 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -17.042 4.746 11.266 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.823 5.100 12.811 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -15.941 2.732 14.619 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -17.202 3.966 14.697 1.00 10.00 H new ATOM 1285 N ASP B 360 -11.020 1.431 8.176 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.686 1.501 8.733 1.00 10.00 C ATOM 1287 C ASP B 360 -9.277 2.966 8.757 1.00 10.00 C ATOM 1288 O ASP B 360 -9.524 3.688 7.792 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.693 0.659 7.919 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.345 0.534 8.607 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.585 1.523 8.634 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.045 -0.561 9.128 1.00 10.00 O ATOM 0 H ASP B 360 -11.090 1.786 7.222 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.679 1.090 9.742 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.110 -0.335 7.758 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.557 1.111 6.936 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.685 3.465 9.842 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.319 4.856 9.929 1.00 10.00 C ATOM 1299 C PRO B 361 -6.817 5.073 9.887 1.00 10.00 C ATOM 1300 O PRO B 361 -6.072 4.595 10.741 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.832 5.171 11.335 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.635 3.889 12.113 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.400 2.777 11.099 1.00 10.00 C ATOM 0 HA PRO B 361 -8.712 5.462 9.112 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.277 5.995 11.783 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.881 5.466 11.317 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.786 3.977 12.791 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.510 3.672 12.725 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.379 2.397 11.136 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.063 1.927 11.261 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.383 5.887 8.942 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.971 6.147 8.769 1.00 10.00 C ATOM 1313 C ILE B 362 -4.676 7.619 8.961 1.00 10.00 C ATOM 1314 O ILE B 362 -5.339 8.493 8.407 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.454 5.688 7.389 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.978 4.280 7.073 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.924 5.720 7.351 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -4.366 3.672 5.835 1.00 10.00 C ATOM 0 H ILE B 362 -6.989 6.378 8.285 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.447 5.566 9.528 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.825 6.375 6.628 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.780 3.628 7.924 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -6.060 4.323 6.950 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.577 5.393 6.371 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.577 6.736 7.539 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.527 5.054 8.117 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.783 2.678 5.674 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.586 4.302 4.973 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -3.286 3.596 5.963 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.671 7.874 9.754 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.261 9.221 10.068 1.00 10.00 C ATOM 1332 C VAL B 363 -1.863 9.443 9.555 1.00 10.00 C ATOM 1333 O VAL B 363 -1.002 8.574 9.649 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.307 9.520 11.574 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -3.139 11.012 11.835 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.604 9.017 12.178 1.00 10.00 C ATOM 0 H VAL B 363 -3.109 7.152 10.204 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.965 9.899 9.585 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.479 8.995 12.050 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -3.175 11.200 12.908 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -2.179 11.345 11.440 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.943 11.560 11.344 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.618 9.238 13.245 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.446 9.511 11.694 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.681 7.940 12.029 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.668 10.600 8.993 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.407 10.992 8.423 1.00 10.00 C ATOM 1348 C ILE B 364 0.188 12.072 9.306 1.00 10.00 C ATOM 1349 O ILE B 364 -0.529 12.919 9.847 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.550 11.498 6.955 1.00 10.00 C ATOM 1351 CG1 ILE B 364 -0.117 10.428 5.933 1.00 10.00 C ATOM 1352 CG2 ILE B 364 0.252 12.771 6.722 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.452 9.159 6.528 1.00 10.00 C ATOM 0 H ILE B 364 -2.393 11.313 8.915 1.00 10.00 H new ATOM 0 HA ILE B 364 0.249 10.122 8.381 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.608 11.713 6.807 1.00 10.00 H new ATOM 0 HG12 ILE B 364 -0.978 10.167 5.318 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.629 10.864 5.269 1.00 10.00 H new ATOM 0 HG21 ILE B 364 0.129 13.095 5.688 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -0.104 13.553 7.392 1.00 10.00 H new ATOM 0 HG23 ILE B 364 1.307 12.578 6.918 1.00 10.00 H new ATOM 0 HD11 ILE B 364 0.725 8.472 5.727 1.00 10.00 H new ATOM 0 HD12 ILE B 364 1.336 9.399 7.118 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.295 8.690 7.168 1.00 10.00 H new HETATM 1365 N SEP B 365 1.491 12.029 9.456 1.00 10.00 N HETATM 1366 CA SEP B 365 2.190 12.957 10.305 1.00 10.00 C HETATM 1367 CB SEP B 365 3.314 12.246 11.067 1.00 10.00 C HETATM 1368 OG SEP B 365 3.066 10.848 11.182 1.00 10.00 O HETATM 1369 C SEP B 365 2.787 14.023 9.429 1.00 10.00 C HETATM 1370 O SEP B 365 3.313 13.749 8.357 1.00 10.00 O HETATM 1371 P SEP B 365 3.944 9.813 10.329 1.00 10.00 P HETATM 1372 O1P SEP B 365 4.405 8.643 11.093 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.004 10.431 9.511 1.00 10.00 O HETATM 1374 O3P SEP B 365 2.922 9.211 9.263 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.262 12.407 10.553 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.413 12.682 12.061 1.00 10.00 H new HETATM 0 HA SEP B 365 1.498 13.386 11.030 1.00 10.00 H new HETATM 0 H SEP B 365 1.774 11.050 9.429 1.00 10.00 H new ATOM 1379 N ASP B 366 2.655 15.253 9.868 1.00 10.00 N ATOM 1380 CA ASP B 366 3.110 16.375 9.086 1.00 10.00 C ATOM 1381 C ASP B 366 4.310 17.016 9.748 1.00 10.00 C ATOM 1382 O ASP B 366 4.301 17.323 10.941 1.00 10.00 O ATOM 1383 CB ASP B 366 1.956 17.376 8.942 1.00 10.00 C ATOM 1384 CG ASP B 366 2.374 18.702 8.345 1.00 10.00 C ATOM 1385 OD1 ASP B 366 2.249 19.736 9.036 1.00 10.00 O ATOM 1386 OD2 ASP B 366 2.795 18.729 7.174 1.00 10.00 O ATOM 0 H ASP B 366 2.235 15.501 10.764 1.00 10.00 H new ATOM 0 HA ASP B 366 3.417 16.042 8.095 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.179 16.935 8.317 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.514 17.552 9.923 1.00 10.00 H new HETATM 1391 N SEP B 367 5.351 17.177 8.954 1.00 10.00 N HETATM 1392 CA SEP B 367 6.596 17.744 9.418 1.00 10.00 C HETATM 1393 CB SEP B 367 7.759 17.041 8.710 1.00 10.00 C HETATM 1394 OG SEP B 367 7.595 15.625 8.784 1.00 10.00 O HETATM 1395 C SEP B 367 6.621 19.248 9.184 1.00 10.00 C HETATM 1396 O SEP B 367 6.605 19.712 8.040 1.00 10.00 O HETATM 1397 P SEP B 367 7.603 14.734 7.453 1.00 10.00 P HETATM 1398 O1P SEP B 367 6.315 14.107 7.131 1.00 10.00 O HETATM 1399 O2P SEP B 367 8.256 15.368 6.301 1.00 10.00 O HETATM 1400 O3P SEP B 367 8.549 13.497 7.800 1.00 10.00 O HETATM 0 HB3 SEP B 367 7.804 17.356 7.667 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.704 17.330 9.171 1.00 10.00 H new HETATM 0 HA SEP B 367 6.695 17.587 10.492 1.00 10.00 H new HETATM 0 H SEP B 367 5.358 16.429 8.261 1.00 10.00 H new ATOM 1405 N PRO B 368 6.619 20.031 10.278 1.00 10.00 N ATOM 1406 CA PRO B 368 6.633 21.493 10.207 1.00 10.00 C ATOM 1407 C PRO B 368 7.883 22.014 9.514 1.00 10.00 C ATOM 1408 O PRO B 368 7.771 22.962 8.711 1.00 10.00 O ATOM 1409 CB PRO B 368 6.614 21.937 11.675 1.00 10.00 C ATOM 1410 CG PRO B 368 6.161 20.750 12.444 1.00 10.00 C ATOM 1411 CD PRO B 368 6.626 19.553 11.670 1.00 10.00 C ATOM 0 HA PRO B 368 5.793 21.878 9.629 1.00 10.00 H new ATOM 0 HB2 PRO B 368 7.603 22.261 12.000 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.939 22.780 11.821 1.00 10.00 H new ATOM 0 HG2 PRO B 368 6.583 20.752 13.449 1.00 10.00 H new ATOM 0 HG3 PRO B 368 5.076 20.747 12.553 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.621 19.233 11.981 1.00 10.00 H new ATOM 0 HD3 PRO B 368 5.960 18.701 11.807 1.00 10.00 H new TER 1419 PRO B 368