USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 4 GLN : amide:sc=-0.00898 K(o=3.5,f=-1.4) USER MOD Set 1.2: A 19 LYS NZ :NH3+ -118:sc= 1.19 (180deg=-0.496) USER MOD Set 1.3: A 93 TYR OH : rot -140:sc= 2.28 USER MOD Set 2.1: A 61 ASN : amide:sc= -2.62 K(o=-3.6,f=-4.4!) USER MOD Set 2.2: A 63 SER OG : rot 40:sc= -0.98 USER MOD Set 3.1: A 35 THR OG1 : rot 120:sc= 0.293 USER MOD Set 3.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.6) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00916) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -145:sc=-0.00135 (180deg=-1.14) USER MOD Single : A 34 ASN : amide:sc= -2.24 X(o=-2.2,f=-2) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 82 MET CE :methyl -121:sc= -0.0686 (180deg=-2.13!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -107:sc= 0.00107 USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= -1.58 (180deg=-1.73!) USER MOD Single : A 91 SER OG : rot 21:sc= -0.625 USER MOD Single : A 92 ASN :FLIP amide:sc= -1.87! F(o=-2.4,f=-1.9!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.327 F(o=-0.38,f=0.33) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 11.702 -3.589 5.032 1.00 35.12 N ATOM 19 CA ALA A 3 10.672 -4.573 4.729 1.00 63.21 C ATOM 20 C ALA A 3 9.976 -5.049 6.001 1.00 54.22 C ATOM 21 O ALA A 3 10.452 -5.964 6.673 1.00 51.13 O ATOM 22 CB ALA A 3 11.273 -5.753 3.980 1.00 24.11 C ATOM 0 HA ALA A 3 9.925 -4.097 4.094 1.00 63.21 H new ATOM 0 HB1 ALA A 3 10.492 -6.481 3.760 1.00 24.11 H new ATOM 0 HB2 ALA A 3 11.717 -5.404 3.048 1.00 24.11 H new ATOM 0 HB3 ALA A 3 12.042 -6.221 4.595 1.00 24.11 H new ATOM 28 N GLN A 4 8.851 -4.421 6.325 1.00 41.11 N ATOM 29 CA GLN A 4 8.093 -4.781 7.518 1.00 12.22 C ATOM 30 C GLN A 4 7.009 -5.802 7.186 1.00 74.14 C ATOM 31 O GLN A 4 6.276 -5.647 6.211 1.00 45.22 O ATOM 32 CB GLN A 4 7.462 -3.534 8.142 1.00 11.42 C ATOM 33 CG GLN A 4 7.643 -3.451 9.649 1.00 12.01 C ATOM 34 CD GLN A 4 7.060 -2.182 10.237 1.00 65.53 C ATOM 35 OE1 GLN A 4 7.651 -1.107 10.136 1.00 4.11 O ATOM 36 NE2 GLN A 4 5.890 -2.300 10.856 1.00 72.12 N ATOM 0 H GLN A 4 8.444 -3.661 5.779 1.00 41.11 H new ATOM 0 HA GLN A 4 8.781 -5.229 8.235 1.00 12.22 H new ATOM 0 HB2 GLN A 4 7.898 -2.647 7.682 1.00 11.42 H new ATOM 0 HB3 GLN A 4 6.397 -3.521 7.911 1.00 11.42 H new ATOM 0 HG2 GLN A 4 7.169 -4.314 10.116 1.00 12.01 H new ATOM 0 HG3 GLN A 4 8.705 -3.503 9.887 1.00 12.01 H new ATOM 0 HE21 GLN A 4 5.435 -3.211 10.917 1.00 72.12 H new ATOM 0 HE22 GLN A 4 5.447 -1.480 11.270 1.00 72.12 H new ATOM 43 N ASN A 5 6.915 -6.844 8.005 1.00 0.30 N ATOM 44 CA ASN A 5 5.922 -7.892 7.798 1.00 61.23 C ATOM 45 C ASN A 5 4.580 -7.494 8.405 1.00 44.33 C ATOM 46 O ASN A 5 4.482 -7.239 9.605 1.00 61.33 O ATOM 47 CB ASN A 5 6.402 -9.208 8.411 1.00 50.43 C ATOM 48 CG ASN A 5 6.917 -9.034 9.825 1.00 35.12 C ATOM 49 OD1 ASN A 5 8.101 -8.776 10.040 1.00 42.31 O ATOM 50 ND2 ASN A 5 6.027 -9.174 10.801 1.00 62.44 N ATOM 0 H ASN A 5 7.514 -6.985 8.818 1.00 0.30 H new ATOM 0 HA ASN A 5 5.791 -8.028 6.724 1.00 61.23 H new ATOM 0 HB2 ASN A 5 5.581 -9.925 8.412 1.00 50.43 H new ATOM 0 HB3 ASN A 5 7.192 -9.628 7.789 1.00 50.43 H new ATOM 0 HD21 ASN A 5 6.316 -9.067 11.774 1.00 62.44 H new ATOM 0 HD22 ASN A 5 5.055 -9.388 10.578 1.00 62.44 H new ATOM 56 N ILE A 6 3.548 -7.448 7.568 1.00 31.53 N ATOM 57 CA ILE A 6 2.211 -7.085 8.023 1.00 0.45 C ATOM 58 C ILE A 6 1.192 -8.154 7.644 1.00 31.25 C ATOM 59 O ILE A 6 1.023 -8.477 6.468 1.00 20.12 O ATOM 60 CB ILE A 6 1.764 -5.733 7.437 1.00 13.41 C ATOM 61 CG1 ILE A 6 2.730 -4.624 7.859 1.00 72.14 C ATOM 62 CG2 ILE A 6 0.346 -5.406 7.880 1.00 52.23 C ATOM 63 CD1 ILE A 6 2.808 -4.429 9.356 1.00 11.55 C ATOM 0 H ILE A 6 3.612 -7.657 6.572 1.00 31.53 H new ATOM 0 HA ILE A 6 2.259 -7.002 9.109 1.00 0.45 H new ATOM 0 HB ILE A 6 1.776 -5.804 6.349 1.00 13.41 H new ATOM 0 HG12 ILE A 6 3.725 -4.856 7.479 1.00 72.14 H new ATOM 0 HG13 ILE A 6 2.421 -3.688 7.394 1.00 72.14 H new ATOM 0 HG21 ILE A 6 0.045 -4.447 7.458 1.00 52.23 H new ATOM 0 HG22 ILE A 6 -0.333 -6.185 7.532 1.00 52.23 H new ATOM 0 HG23 ILE A 6 0.308 -5.351 8.968 1.00 52.23 H new ATOM 0 HD11 ILE A 6 3.511 -3.628 9.582 1.00 11.55 H new ATOM 0 HD12 ILE A 6 1.822 -4.166 9.741 1.00 11.55 H new ATOM 0 HD13 ILE A 6 3.147 -5.352 9.826 1.00 11.55 H new ATOM 74 N THR A 7 0.514 -8.700 8.649 1.00 23.42 N ATOM 75 CA THR A 7 -0.490 -9.732 8.422 1.00 73.22 C ATOM 76 C THR A 7 -1.889 -9.132 8.351 1.00 25.11 C ATOM 77 O THR A 7 -2.213 -8.203 9.089 1.00 63.20 O ATOM 78 CB THR A 7 -0.457 -10.801 9.530 1.00 71.33 C ATOM 79 OG1 THR A 7 -0.270 -10.178 10.806 1.00 40.45 O ATOM 80 CG2 THR A 7 0.659 -11.804 9.281 1.00 22.42 C ATOM 0 H THR A 7 0.642 -8.444 9.628 1.00 23.42 H new ATOM 0 HA THR A 7 -0.251 -10.201 7.468 1.00 73.22 H new ATOM 0 HB THR A 7 -1.409 -11.332 9.521 1.00 71.33 H new ATOM 0 HG1 THR A 7 -0.252 -10.864 11.506 1.00 40.45 H new ATOM 0 HG21 THR A 7 0.663 -12.549 10.076 1.00 22.42 H new ATOM 0 HG22 THR A 7 0.498 -12.297 8.322 1.00 22.42 H new ATOM 0 HG23 THR A 7 1.618 -11.285 9.265 1.00 22.42 H new ATOM 88 N ALA A 8 -2.715 -9.671 7.459 1.00 53.00 N ATOM 89 CA ALA A 8 -4.081 -9.190 7.295 1.00 12.44 C ATOM 90 C ALA A 8 -5.022 -10.328 6.915 1.00 14.24 C ATOM 91 O ALA A 8 -4.578 -11.408 6.525 1.00 70.31 O ATOM 92 CB ALA A 8 -4.130 -8.090 6.245 1.00 72.40 C ATOM 0 H ALA A 8 -2.461 -10.441 6.839 1.00 53.00 H new ATOM 0 HA ALA A 8 -4.413 -8.782 8.250 1.00 12.44 H new ATOM 0 HB1 ALA A 8 -5.156 -7.740 6.133 1.00 72.40 H new ATOM 0 HB2 ALA A 8 -3.496 -7.260 6.557 1.00 72.40 H new ATOM 0 HB3 ALA A 8 -3.773 -8.481 5.292 1.00 72.40 H new ATOM 98 N ARG A 9 -6.321 -10.080 7.034 1.00 32.44 N ATOM 99 CA ARG A 9 -7.325 -11.085 6.705 1.00 42.12 C ATOM 100 C ARG A 9 -8.288 -10.565 5.642 1.00 13.12 C ATOM 101 O ARG A 9 -8.566 -9.367 5.577 1.00 72.13 O ATOM 102 CB ARG A 9 -8.102 -11.489 7.959 1.00 4.11 C ATOM 103 CG ARG A 9 -7.689 -12.838 8.523 1.00 4.05 C ATOM 104 CD ARG A 9 -6.859 -12.682 9.788 1.00 3.34 C ATOM 105 NE ARG A 9 -6.788 -13.925 10.553 1.00 32.33 N ATOM 106 CZ ARG A 9 -7.774 -14.371 11.323 1.00 13.25 C ATOM 107 NH1 ARG A 9 -8.901 -13.681 11.429 1.00 62.11 N ATOM 108 NH2 ARG A 9 -7.635 -15.511 11.988 1.00 11.22 N ATOM 0 H ARG A 9 -6.704 -9.191 7.356 1.00 32.44 H new ATOM 0 HA ARG A 9 -6.810 -11.960 6.307 1.00 42.12 H new ATOM 0 HB2 ARG A 9 -7.961 -10.726 8.725 1.00 4.11 H new ATOM 0 HB3 ARG A 9 -9.166 -11.513 7.725 1.00 4.11 H new ATOM 0 HG2 ARG A 9 -8.578 -13.430 8.740 1.00 4.05 H new ATOM 0 HG3 ARG A 9 -7.116 -13.386 7.775 1.00 4.05 H new ATOM 0 HD2 ARG A 9 -5.851 -12.361 9.523 1.00 3.34 H new ATOM 0 HD3 ARG A 9 -7.290 -11.898 10.410 1.00 3.34 H new ATOM 0 HE ARG A 9 -5.935 -14.480 10.492 1.00 32.33 H new ATOM 0 HH11 ARG A 9 -9.013 -12.805 10.918 1.00 62.11 H new ATOM 0 HH12 ARG A 9 -9.656 -14.026 12.021 1.00 62.11 H new ATOM 0 HH21 ARG A 9 -6.770 -16.046 11.908 1.00 11.22 H new ATOM 0 HH22 ARG A 9 -8.393 -15.852 12.579 1.00 11.22 H new ATOM 119 N ILE A 10 -8.793 -11.472 4.814 1.00 12.52 N ATOM 120 CA ILE A 10 -9.725 -11.105 3.754 1.00 13.44 C ATOM 121 C ILE A 10 -10.952 -10.399 4.322 1.00 10.30 C ATOM 122 O ILE A 10 -11.661 -10.949 5.163 1.00 60.14 O ATOM 123 CB ILE A 10 -10.180 -12.338 2.952 1.00 21.45 C ATOM 124 CG1 ILE A 10 -8.977 -13.024 2.302 1.00 52.33 C ATOM 125 CG2 ILE A 10 -11.202 -11.937 1.899 1.00 3.22 C ATOM 126 CD1 ILE A 10 -9.268 -14.428 1.822 1.00 12.12 C ATOM 0 H ILE A 10 -8.573 -12.467 4.856 1.00 12.52 H new ATOM 0 HA ILE A 10 -9.194 -10.425 3.088 1.00 13.44 H new ATOM 0 HB ILE A 10 -10.650 -13.045 3.636 1.00 21.45 H new ATOM 0 HG12 ILE A 10 -8.639 -12.423 1.458 1.00 52.33 H new ATOM 0 HG13 ILE A 10 -8.157 -13.057 3.019 1.00 52.33 H new ATOM 0 HG21 ILE A 10 -11.514 -12.819 1.340 1.00 3.22 H new ATOM 0 HG22 ILE A 10 -12.069 -11.490 2.385 1.00 3.22 H new ATOM 0 HG23 ILE A 10 -10.756 -11.214 1.216 1.00 3.22 H new ATOM 0 HD11 ILE A 10 -8.370 -14.852 1.372 1.00 12.12 H new ATOM 0 HD12 ILE A 10 -9.577 -15.044 2.666 1.00 12.12 H new ATOM 0 HD13 ILE A 10 -10.067 -14.401 1.081 1.00 12.12 H new ATOM 137 N GLY A 11 -11.196 -9.179 3.854 1.00 10.44 N ATOM 138 CA GLY A 11 -12.338 -8.420 4.326 1.00 75.32 C ATOM 139 C GLY A 11 -12.026 -7.618 5.575 1.00 63.12 C ATOM 140 O GLY A 11 -12.911 -6.984 6.149 1.00 54.23 O ATOM 0 H GLY A 11 -10.623 -8.703 3.157 1.00 10.44 H new ATOM 0 HA2 GLY A 11 -12.672 -7.745 3.538 1.00 75.32 H new ATOM 0 HA3 GLY A 11 -13.163 -9.102 4.532 1.00 75.32 H new ATOM 144 N GLU A 12 -10.766 -7.647 5.995 1.00 5.10 N ATOM 145 CA GLU A 12 -10.342 -6.919 7.185 1.00 25.24 C ATOM 146 C GLU A 12 -9.637 -5.620 6.807 1.00 11.00 C ATOM 147 O GLU A 12 -8.849 -5.564 5.863 1.00 32.32 O ATOM 148 CB GLU A 12 -9.413 -7.787 8.036 1.00 24.15 C ATOM 149 CG GLU A 12 -10.068 -9.058 8.551 1.00 2.30 C ATOM 150 CD GLU A 12 -11.457 -8.814 9.109 1.00 32.15 C ATOM 151 OE1 GLU A 12 -11.567 -8.123 10.144 1.00 22.12 O ATOM 152 OE2 GLU A 12 -12.433 -9.313 8.512 1.00 14.45 O ATOM 0 H GLU A 12 -10.021 -8.166 5.530 1.00 5.10 H new ATOM 0 HA GLU A 12 -11.231 -6.673 7.765 1.00 25.24 H new ATOM 0 HB2 GLU A 12 -8.537 -8.054 7.445 1.00 24.15 H new ATOM 0 HB3 GLU A 12 -9.059 -7.201 8.884 1.00 24.15 H new ATOM 0 HG2 GLU A 12 -10.128 -9.785 7.741 1.00 2.30 H new ATOM 0 HG3 GLU A 12 -9.441 -9.497 9.327 1.00 2.30 H new ATOM 157 N PRO A 13 -9.928 -4.548 7.561 1.00 42.13 N ATOM 158 CA PRO A 13 -9.333 -3.230 7.323 1.00 22.32 C ATOM 159 C PRO A 13 -7.849 -3.193 7.668 1.00 11.35 C ATOM 160 O PRO A 13 -7.422 -3.751 8.680 1.00 20.45 O ATOM 161 CB PRO A 13 -10.124 -2.312 8.259 1.00 13.22 C ATOM 162 CG PRO A 13 -10.610 -3.206 9.346 1.00 43.43 C ATOM 163 CD PRO A 13 -10.858 -4.542 8.702 1.00 32.23 C ATOM 0 HA PRO A 13 -9.387 -2.941 6.273 1.00 22.32 H new ATOM 0 HB2 PRO A 13 -9.496 -1.514 8.654 1.00 13.22 H new ATOM 0 HB3 PRO A 13 -10.954 -1.836 7.738 1.00 13.22 H new ATOM 0 HG2 PRO A 13 -9.872 -3.288 10.143 1.00 43.43 H new ATOM 0 HG3 PRO A 13 -11.522 -2.814 9.795 1.00 43.43 H new ATOM 0 HD2 PRO A 13 -10.656 -5.363 9.390 1.00 32.23 H new ATOM 0 HD3 PRO A 13 -11.893 -4.646 8.377 1.00 32.23 H new ATOM 168 N LEU A 14 -7.066 -2.531 6.823 1.00 2.54 N ATOM 169 CA LEU A 14 -5.627 -2.421 7.040 1.00 51.24 C ATOM 170 C LEU A 14 -5.109 -1.065 6.571 1.00 13.25 C ATOM 171 O LEU A 14 -5.546 -0.542 5.547 1.00 54.15 O ATOM 172 CB LEU A 14 -4.893 -3.543 6.302 1.00 20.30 C ATOM 173 CG LEU A 14 -3.396 -3.665 6.587 1.00 53.02 C ATOM 174 CD1 LEU A 14 -3.162 -4.294 7.951 1.00 64.43 C ATOM 175 CD2 LEU A 14 -2.710 -4.478 5.498 1.00 41.35 C ATOM 0 H LEU A 14 -7.403 -2.063 5.982 1.00 2.54 H new ATOM 0 HA LEU A 14 -5.437 -2.513 8.109 1.00 51.24 H new ATOM 0 HB2 LEU A 14 -5.369 -4.490 6.556 1.00 20.30 H new ATOM 0 HB3 LEU A 14 -5.028 -3.395 5.231 1.00 20.30 H new ATOM 0 HG LEU A 14 -2.964 -2.664 6.592 1.00 53.02 H new ATOM 0 HD11 LEU A 14 -2.091 -4.373 8.136 1.00 64.43 H new ATOM 0 HD12 LEU A 14 -3.619 -3.673 8.721 1.00 64.43 H new ATOM 0 HD13 LEU A 14 -3.608 -5.288 7.975 1.00 64.43 H new ATOM 0 HD21 LEU A 14 -1.645 -4.554 5.717 1.00 41.35 H new ATOM 0 HD22 LEU A 14 -3.145 -5.477 5.461 1.00 41.35 H new ATOM 0 HD23 LEU A 14 -2.848 -3.986 4.535 1.00 41.35 H new ATOM 186 N VAL A 15 -4.172 -0.502 7.329 1.00 45.44 N ATOM 187 CA VAL A 15 -3.591 0.791 6.990 1.00 22.21 C ATOM 188 C VAL A 15 -2.071 0.715 6.940 1.00 14.14 C ATOM 189 O VAL A 15 -1.452 -0.053 7.678 1.00 50.32 O ATOM 190 CB VAL A 15 -4.006 1.876 8.002 1.00 24.41 C ATOM 191 CG1 VAL A 15 -3.455 3.232 7.590 1.00 11.13 C ATOM 192 CG2 VAL A 15 -5.521 1.926 8.138 1.00 54.44 C ATOM 0 H VAL A 15 -3.800 -0.921 8.181 1.00 45.44 H new ATOM 0 HA VAL A 15 -3.971 1.059 6.004 1.00 22.21 H new ATOM 0 HB VAL A 15 -3.584 1.620 8.974 1.00 24.41 H new ATOM 0 HG11 VAL A 15 -3.759 3.985 8.317 1.00 11.13 H new ATOM 0 HG12 VAL A 15 -2.367 3.185 7.549 1.00 11.13 H new ATOM 0 HG13 VAL A 15 -3.844 3.499 6.607 1.00 11.13 H new ATOM 0 HG21 VAL A 15 -5.797 2.698 8.857 1.00 54.44 H new ATOM 0 HG22 VAL A 15 -5.966 2.156 7.170 1.00 54.44 H new ATOM 0 HG23 VAL A 15 -5.887 0.960 8.485 1.00 54.44 H new ATOM 202 N LEU A 16 -1.471 1.515 6.066 1.00 61.23 N ATOM 203 CA LEU A 16 -0.020 1.540 5.918 1.00 24.34 C ATOM 204 C LEU A 16 0.504 2.971 5.924 1.00 35.42 C ATOM 205 O LEU A 16 -0.166 3.891 5.454 1.00 22.25 O ATOM 206 CB LEU A 16 0.393 0.838 4.624 1.00 65.14 C ATOM 207 CG LEU A 16 0.162 -0.674 4.576 1.00 61.52 C ATOM 208 CD1 LEU A 16 0.699 -1.255 3.277 1.00 65.54 C ATOM 209 CD2 LEU A 16 0.809 -1.351 5.775 1.00 72.35 C ATOM 0 H LEU A 16 -1.968 2.156 5.448 1.00 61.23 H new ATOM 0 HA LEU A 16 0.416 1.011 6.766 1.00 24.34 H new ATOM 0 HB2 LEU A 16 -0.151 1.295 3.797 1.00 65.14 H new ATOM 0 HB3 LEU A 16 1.452 1.029 4.453 1.00 65.14 H new ATOM 0 HG LEU A 16 -0.911 -0.860 4.616 1.00 61.52 H new ATOM 0 HD11 LEU A 16 0.526 -2.331 3.261 1.00 65.54 H new ATOM 0 HD12 LEU A 16 0.188 -0.792 2.433 1.00 65.54 H new ATOM 0 HD13 LEU A 16 1.769 -1.058 3.205 1.00 65.54 H new ATOM 0 HD21 LEU A 16 0.634 -2.426 5.724 1.00 72.35 H new ATOM 0 HD22 LEU A 16 1.882 -1.157 5.768 1.00 72.35 H new ATOM 0 HD23 LEU A 16 0.375 -0.956 6.694 1.00 72.35 H new ATOM 220 N LYS A 17 1.708 3.154 6.456 1.00 2.51 N ATOM 221 CA LYS A 17 2.326 4.474 6.520 1.00 45.41 C ATOM 222 C LYS A 17 3.534 4.554 5.592 1.00 5.33 C ATOM 223 O LYS A 17 4.217 3.556 5.358 1.00 72.22 O ATOM 224 CB LYS A 17 2.751 4.791 7.956 1.00 72.02 C ATOM 225 CG LYS A 17 2.767 6.277 8.269 1.00 65.12 C ATOM 226 CD LYS A 17 1.458 6.728 8.898 1.00 14.23 C ATOM 227 CE LYS A 17 1.262 8.229 8.759 1.00 70.23 C ATOM 228 NZ LYS A 17 2.031 8.987 9.785 1.00 24.14 N ATOM 0 H LYS A 17 2.276 2.404 6.850 1.00 2.51 H new ATOM 0 HA LYS A 17 1.590 5.209 6.194 1.00 45.41 H new ATOM 0 HB2 LYS A 17 2.073 4.290 8.646 1.00 72.02 H new ATOM 0 HB3 LYS A 17 3.745 4.380 8.131 1.00 72.02 H new ATOM 0 HG2 LYS A 17 3.592 6.499 8.946 1.00 65.12 H new ATOM 0 HG3 LYS A 17 2.945 6.841 7.353 1.00 65.12 H new ATOM 0 HD2 LYS A 17 0.627 6.206 8.424 1.00 14.23 H new ATOM 0 HD3 LYS A 17 1.447 6.455 9.953 1.00 14.23 H new ATOM 0 HE2 LYS A 17 1.575 8.545 7.764 1.00 70.23 H new ATOM 0 HE3 LYS A 17 0.202 8.467 8.851 1.00 70.23 H new ATOM 0 HZ1 LYS A 17 1.871 10.006 9.656 1.00 24.14 H new ATOM 0 HZ2 LYS A 17 1.715 8.704 10.735 1.00 24.14 H new ATOM 0 HZ3 LYS A 17 3.045 8.780 9.682 1.00 24.14 H new ATOM 238 N CYS A 18 3.791 5.746 5.066 1.00 61.02 N ATOM 239 CA CYS A 18 4.917 5.958 4.164 1.00 11.01 C ATOM 240 C CYS A 18 5.973 6.848 4.813 1.00 52.11 C ATOM 241 O CYS A 18 5.825 8.069 4.868 1.00 51.12 O ATOM 242 CB CYS A 18 4.437 6.588 2.855 1.00 55.04 C ATOM 243 SG CYS A 18 5.760 6.862 1.634 1.00 14.13 S ATOM 0 H CYS A 18 3.234 6.581 5.249 1.00 61.02 H new ATOM 0 HA CYS A 18 5.366 4.988 3.949 1.00 11.01 H new ATOM 0 HB2 CYS A 18 3.676 5.945 2.412 1.00 55.04 H new ATOM 0 HB3 CYS A 18 3.959 7.542 3.077 1.00 55.04 H new ATOM 247 N LYS A 19 7.042 6.228 5.303 1.00 62.45 N ATOM 248 CA LYS A 19 8.125 6.962 5.946 1.00 25.11 C ATOM 249 C LYS A 19 8.611 8.102 5.059 1.00 32.33 C ATOM 250 O LYS A 19 9.360 7.886 4.107 1.00 75.04 O ATOM 251 CB LYS A 19 9.288 6.018 6.266 1.00 44.02 C ATOM 252 CG LYS A 19 9.331 5.576 7.718 1.00 75.53 C ATOM 253 CD LYS A 19 8.016 4.951 8.151 1.00 53.15 C ATOM 254 CE LYS A 19 7.731 3.667 7.387 1.00 74.44 C ATOM 255 NZ LYS A 19 8.673 2.577 7.765 1.00 51.20 N ATOM 0 H LYS A 19 7.181 5.218 5.267 1.00 62.45 H new ATOM 0 HA LYS A 19 7.743 7.386 6.875 1.00 25.11 H new ATOM 0 HB2 LYS A 19 9.215 5.137 5.629 1.00 44.02 H new ATOM 0 HB3 LYS A 19 10.226 6.514 6.018 1.00 44.02 H new ATOM 0 HG2 LYS A 19 10.139 4.858 7.857 1.00 75.53 H new ATOM 0 HG3 LYS A 19 9.554 6.433 8.353 1.00 75.53 H new ATOM 0 HD2 LYS A 19 8.047 4.740 9.220 1.00 53.15 H new ATOM 0 HD3 LYS A 19 7.204 5.660 7.989 1.00 53.15 H new ATOM 0 HE2 LYS A 19 6.708 3.347 7.583 1.00 74.44 H new ATOM 0 HE3 LYS A 19 7.806 3.857 6.316 1.00 74.44 H new ATOM 0 HZ1 LYS A 19 9.226 2.291 6.932 1.00 51.20 H new ATOM 0 HZ2 LYS A 19 9.317 2.917 8.508 1.00 51.20 H new ATOM 0 HZ3 LYS A 19 8.135 1.761 8.120 1.00 51.20 H new ATOM 265 N GLY A 20 8.182 9.320 5.380 1.00 71.11 N ATOM 266 CA GLY A 20 8.585 10.477 4.603 1.00 72.15 C ATOM 267 C GLY A 20 7.537 11.573 4.609 1.00 13.12 C ATOM 268 O GLY A 20 7.849 12.736 4.861 1.00 20.54 O ATOM 0 H GLY A 20 7.563 9.525 6.164 1.00 71.11 H new ATOM 0 HA2 GLY A 20 9.520 10.871 5.001 1.00 72.15 H new ATOM 0 HA3 GLY A 20 8.780 10.171 3.575 1.00 72.15 H new ATOM 272 N ALA A 21 6.292 11.201 4.329 1.00 35.22 N ATOM 273 CA ALA A 21 5.196 12.162 4.303 1.00 13.04 C ATOM 274 C ALA A 21 4.458 12.187 5.637 1.00 31.35 C ATOM 275 O ALA A 21 3.661 11.303 5.951 1.00 11.11 O ATOM 276 CB ALA A 21 4.234 11.833 3.173 1.00 73.30 C ATOM 0 H ALA A 21 6.017 10.242 4.117 1.00 35.22 H new ATOM 0 HA ALA A 21 5.617 13.153 4.131 1.00 13.04 H new ATOM 0 HB1 ALA A 21 3.420 12.558 3.165 1.00 73.30 H new ATOM 0 HB2 ALA A 21 4.764 11.872 2.221 1.00 73.30 H new ATOM 0 HB3 ALA A 21 3.827 10.833 3.321 1.00 73.30 H new ATOM 282 N PRO A 22 4.730 13.224 6.445 1.00 64.33 N ATOM 283 CA PRO A 22 4.100 13.389 7.759 1.00 13.45 C ATOM 284 C PRO A 22 2.619 13.732 7.654 1.00 2.21 C ATOM 285 O PRO A 22 1.991 13.511 6.618 1.00 41.21 O ATOM 286 CB PRO A 22 4.876 14.555 8.380 1.00 41.53 C ATOM 287 CG PRO A 22 5.394 15.327 7.215 1.00 43.55 C ATOM 288 CD PRO A 22 5.669 14.315 6.136 1.00 45.45 C ATOM 0 HA PRO A 22 4.138 12.472 8.347 1.00 13.45 H new ATOM 0 HB2 PRO A 22 4.231 15.170 9.008 1.00 41.53 H new ATOM 0 HB3 PRO A 22 5.689 14.198 9.012 1.00 41.53 H new ATOM 0 HG2 PRO A 22 4.665 16.065 6.881 1.00 43.55 H new ATOM 0 HG3 PRO A 22 6.301 15.871 7.480 1.00 43.55 H new ATOM 0 HD2 PRO A 22 5.492 14.728 5.143 1.00 45.45 H new ATOM 0 HD3 PRO A 22 6.704 13.973 6.160 1.00 45.45 H new ATOM 293 N LYS A 23 2.062 14.272 8.733 1.00 2.04 N ATOM 294 CA LYS A 23 0.655 14.647 8.763 1.00 21.30 C ATOM 295 C LYS A 23 0.335 15.652 7.661 1.00 71.04 C ATOM 296 O LYS A 23 -0.831 15.916 7.365 1.00 60.23 O ATOM 297 CB LYS A 23 0.291 15.238 10.127 1.00 43.23 C ATOM 298 CG LYS A 23 -0.183 14.203 11.132 1.00 43.35 C ATOM 299 CD LYS A 23 0.979 13.598 11.901 1.00 23.52 C ATOM 300 CE LYS A 23 1.223 14.333 13.210 1.00 63.43 C ATOM 301 NZ LYS A 23 0.221 13.965 14.248 1.00 34.24 N ATOM 0 H LYS A 23 2.566 14.460 9.600 1.00 2.04 H new ATOM 0 HA LYS A 23 0.063 13.748 8.594 1.00 21.30 H new ATOM 0 HB2 LYS A 23 1.160 15.755 10.533 1.00 43.23 H new ATOM 0 HB3 LYS A 23 -0.490 15.986 9.993 1.00 43.23 H new ATOM 0 HG2 LYS A 23 -0.881 14.666 11.830 1.00 43.35 H new ATOM 0 HG3 LYS A 23 -0.727 13.414 10.613 1.00 43.35 H new ATOM 0 HD2 LYS A 23 0.774 12.547 12.105 1.00 23.52 H new ATOM 0 HD3 LYS A 23 1.880 13.634 11.289 1.00 23.52 H new ATOM 0 HE2 LYS A 23 2.224 14.103 13.574 1.00 63.43 H new ATOM 0 HE3 LYS A 23 1.186 15.408 13.035 1.00 63.43 H new ATOM 0 HZ1 LYS A 23 0.148 14.731 14.947 1.00 34.24 H new ATOM 0 HZ2 LYS A 23 -0.705 13.816 13.799 1.00 34.24 H new ATOM 0 HZ3 LYS A 23 0.519 13.090 14.724 1.00 34.24 H new ATOM 311 N LYS A 24 1.378 16.208 7.053 1.00 72.13 N ATOM 312 CA LYS A 24 1.210 17.181 5.981 1.00 63.24 C ATOM 313 C LYS A 24 0.149 16.718 4.987 1.00 54.14 C ATOM 314 O LYS A 24 -0.233 15.548 4.950 1.00 54.14 O ATOM 315 CB LYS A 24 2.538 17.407 5.256 1.00 3.44 C ATOM 316 CG LYS A 24 3.476 18.355 5.986 1.00 2.32 C ATOM 317 CD LYS A 24 2.751 19.604 6.456 1.00 22.14 C ATOM 318 CE LYS A 24 3.728 20.713 6.818 1.00 4.31 C ATOM 319 NZ LYS A 24 4.444 20.426 8.092 1.00 10.14 N ATOM 0 H LYS A 24 2.349 16.001 7.285 1.00 72.13 H new ATOM 0 HA LYS A 24 0.881 18.120 6.426 1.00 63.24 H new ATOM 0 HB2 LYS A 24 3.037 16.447 5.122 1.00 3.44 H new ATOM 0 HB3 LYS A 24 2.336 17.803 4.261 1.00 3.44 H new ATOM 0 HG2 LYS A 24 3.916 17.845 6.843 1.00 2.32 H new ATOM 0 HG3 LYS A 24 4.297 18.636 5.326 1.00 2.32 H new ATOM 0 HD2 LYS A 24 2.078 19.952 5.672 1.00 22.14 H new ATOM 0 HD3 LYS A 24 2.134 19.364 7.322 1.00 22.14 H new ATOM 0 HE2 LYS A 24 4.453 20.835 6.013 1.00 4.31 H new ATOM 0 HE3 LYS A 24 3.190 21.656 6.908 1.00 4.31 H new ATOM 0 HZ1 LYS A 24 5.100 21.204 8.304 1.00 10.14 H new ATOM 0 HZ2 LYS A 24 3.754 20.334 8.865 1.00 10.14 H new ATOM 0 HZ3 LYS A 24 4.978 19.539 7.998 1.00 10.14 H new ATOM 366 N ARG A 28 3.001 16.161 -3.852 1.00 43.21 N ATOM 367 CA ARG A 28 3.539 15.356 -4.942 1.00 53.24 C ATOM 368 C ARG A 28 4.354 14.185 -4.404 1.00 51.15 C ATOM 369 O ARG A 28 5.196 14.354 -3.521 1.00 13.20 O ATOM 370 CB ARG A 28 4.409 16.218 -5.860 1.00 5.02 C ATOM 371 CG ARG A 28 3.610 17.115 -6.791 1.00 24.23 C ATOM 372 CD ARG A 28 4.520 17.941 -7.685 1.00 72.44 C ATOM 373 NE ARG A 28 4.978 19.160 -7.024 1.00 41.14 N ATOM 374 CZ ARG A 28 5.837 20.013 -7.570 1.00 72.13 C ATOM 375 NH1 ARG A 28 6.328 19.783 -8.780 1.00 12.14 N ATOM 376 NH2 ARG A 28 6.206 21.101 -6.905 1.00 11.41 N ATOM 0 HA ARG A 28 2.700 14.959 -5.514 1.00 53.24 H new ATOM 0 HB2 ARG A 28 5.066 16.837 -5.248 1.00 5.02 H new ATOM 0 HB3 ARG A 28 5.049 15.567 -6.456 1.00 5.02 H new ATOM 0 HG2 ARG A 28 2.949 16.505 -7.407 1.00 24.23 H new ATOM 0 HG3 ARG A 28 2.976 17.779 -6.203 1.00 24.23 H new ATOM 0 HD2 ARG A 28 5.382 17.342 -7.977 1.00 72.44 H new ATOM 0 HD3 ARG A 28 3.989 18.203 -8.600 1.00 72.44 H new ATOM 0 HE ARG A 28 4.619 19.368 -6.092 1.00 41.14 H new ATOM 0 HH11 ARG A 28 6.046 18.949 -9.295 1.00 12.14 H new ATOM 0 HH12 ARG A 28 6.988 20.440 -9.196 1.00 12.14 H new ATOM 0 HH21 ARG A 28 5.830 21.282 -5.974 1.00 11.41 H new ATOM 0 HH22 ARG A 28 6.866 21.756 -7.325 1.00 11.41 H new ATOM 387 N LEU A 29 4.098 12.996 -4.940 1.00 21.34 N ATOM 388 CA LEU A 29 4.807 11.795 -4.513 1.00 3.33 C ATOM 389 C LEU A 29 4.533 10.634 -5.463 1.00 25.13 C ATOM 390 O LEU A 29 3.715 10.746 -6.375 1.00 63.22 O ATOM 391 CB LEU A 29 4.394 11.414 -3.090 1.00 14.21 C ATOM 392 CG LEU A 29 2.895 11.454 -2.792 1.00 75.25 C ATOM 393 CD1 LEU A 29 2.172 10.341 -3.538 1.00 14.12 C ATOM 394 CD2 LEU A 29 2.645 11.345 -1.296 1.00 20.25 C ATOM 0 H LEU A 29 3.405 12.838 -5.671 1.00 21.34 H new ATOM 0 HA LEU A 29 5.876 12.009 -4.529 1.00 3.33 H new ATOM 0 HB2 LEU A 29 4.758 10.407 -2.885 1.00 14.21 H new ATOM 0 HB3 LEU A 29 4.900 12.084 -2.395 1.00 14.21 H new ATOM 0 HG LEU A 29 2.501 12.410 -3.137 1.00 75.25 H new ATOM 0 HD11 LEU A 29 1.106 10.385 -3.314 1.00 14.12 H new ATOM 0 HD12 LEU A 29 2.323 10.464 -4.610 1.00 14.12 H new ATOM 0 HD13 LEU A 29 2.569 9.375 -3.225 1.00 14.12 H new ATOM 0 HD21 LEU A 29 1.573 11.375 -1.103 1.00 20.25 H new ATOM 0 HD22 LEU A 29 3.054 10.405 -0.926 1.00 20.25 H new ATOM 0 HD23 LEU A 29 3.129 12.177 -0.785 1.00 20.25 H new ATOM 405 N GLU A 30 5.221 9.518 -5.240 1.00 14.44 N ATOM 406 CA GLU A 30 5.049 8.336 -6.075 1.00 53.41 C ATOM 407 C GLU A 30 4.703 7.115 -5.227 1.00 72.31 C ATOM 408 O GLU A 30 5.434 6.761 -4.303 1.00 34.21 O ATOM 409 CB GLU A 30 6.322 8.066 -6.881 1.00 41.23 C ATOM 410 CG GLU A 30 6.231 6.834 -7.767 1.00 3.54 C ATOM 411 CD GLU A 30 7.141 6.916 -8.977 1.00 74.25 C ATOM 412 OE1 GLU A 30 8.355 6.667 -8.826 1.00 73.03 O ATOM 413 OE2 GLU A 30 6.637 7.231 -10.076 1.00 53.02 O ATOM 0 H GLU A 30 5.902 9.409 -4.489 1.00 14.44 H new ATOM 0 HA GLU A 30 4.224 8.525 -6.762 1.00 53.41 H new ATOM 0 HB2 GLU A 30 6.540 8.935 -7.502 1.00 41.23 H new ATOM 0 HB3 GLU A 30 7.159 7.948 -6.193 1.00 41.23 H new ATOM 0 HG2 GLU A 30 6.489 5.951 -7.182 1.00 3.54 H new ATOM 0 HG3 GLU A 30 5.201 6.706 -8.100 1.00 3.54 H new ATOM 418 N TRP A 31 3.583 6.479 -5.550 1.00 32.30 N ATOM 419 CA TRP A 31 3.138 5.298 -4.817 1.00 55.43 C ATOM 420 C TRP A 31 3.002 4.100 -5.749 1.00 43.05 C ATOM 421 O TRP A 31 2.592 4.239 -6.901 1.00 51.54 O ATOM 422 CB TRP A 31 1.803 5.576 -4.124 1.00 3.23 C ATOM 423 CG TRP A 31 1.829 5.296 -2.653 1.00 22.01 C ATOM 424 CD1 TRP A 31 1.914 6.213 -1.645 1.00 31.33 C ATOM 425 CD2 TRP A 31 1.771 4.011 -2.023 1.00 64.32 C ATOM 426 NE1 TRP A 31 1.913 5.576 -0.427 1.00 63.24 N ATOM 427 CE2 TRP A 31 1.824 4.225 -0.632 1.00 52.42 C ATOM 428 CE3 TRP A 31 1.675 2.700 -2.499 1.00 34.10 C ATOM 429 CZ2 TRP A 31 1.787 3.177 0.284 1.00 11.44 C ATOM 430 CZ3 TRP A 31 1.639 1.661 -1.589 1.00 72.12 C ATOM 431 CH2 TRP A 31 1.694 1.904 -0.209 1.00 54.24 C ATOM 0 H TRP A 31 2.967 6.760 -6.313 1.00 32.30 H new ATOM 0 HA TRP A 31 3.889 5.064 -4.062 1.00 55.43 H new ATOM 0 HB2 TRP A 31 1.529 6.619 -4.283 1.00 3.23 H new ATOM 0 HB3 TRP A 31 1.027 4.968 -4.589 1.00 3.23 H new ATOM 0 HD1 TRP A 31 1.973 7.282 -1.784 1.00 31.33 H new ATOM 0 HE1 TRP A 31 1.969 6.035 0.482 1.00 63.24 H new ATOM 0 HE3 TRP A 31 1.630 2.503 -3.560 1.00 34.10 H new ATOM 0 HZ2 TRP A 31 1.830 3.363 1.347 1.00 11.44 H new ATOM 0 HZ3 TRP A 31 1.567 0.644 -1.947 1.00 72.12 H new ATOM 0 HH2 TRP A 31 1.662 1.071 0.477 1.00 54.24 H new ATOM 441 N LYS A 32 3.347 2.919 -5.243 1.00 71.43 N ATOM 442 CA LYS A 32 3.260 1.695 -6.029 1.00 11.23 C ATOM 443 C LYS A 32 2.835 0.518 -5.159 1.00 3.32 C ATOM 444 O LYS A 32 3.218 0.425 -3.991 1.00 64.31 O ATOM 445 CB LYS A 32 4.608 1.394 -6.690 1.00 0.55 C ATOM 446 CG LYS A 32 5.014 2.413 -7.739 1.00 70.43 C ATOM 447 CD LYS A 32 6.434 2.180 -8.225 1.00 11.00 C ATOM 448 CE LYS A 32 7.169 3.493 -8.451 1.00 62.30 C ATOM 449 NZ LYS A 32 8.561 3.275 -8.933 1.00 44.04 N ATOM 0 H LYS A 32 3.689 2.785 -4.292 1.00 71.43 H new ATOM 0 HA LYS A 32 2.506 1.842 -6.803 1.00 11.23 H new ATOM 0 HB2 LYS A 32 5.379 1.351 -5.920 1.00 0.55 H new ATOM 0 HB3 LYS A 32 4.564 0.408 -7.152 1.00 0.55 H new ATOM 0 HG2 LYS A 32 4.327 2.360 -8.583 1.00 70.43 H new ATOM 0 HG3 LYS A 32 4.931 3.417 -7.323 1.00 70.43 H new ATOM 0 HD2 LYS A 32 6.976 1.580 -7.494 1.00 11.00 H new ATOM 0 HD3 LYS A 32 6.413 1.609 -9.153 1.00 11.00 H new ATOM 0 HE2 LYS A 32 6.623 4.094 -9.178 1.00 62.30 H new ATOM 0 HE3 LYS A 32 7.192 4.061 -7.521 1.00 62.30 H new ATOM 0 HZ1 LYS A 32 9.184 4.008 -8.538 1.00 44.04 H new ATOM 0 HZ2 LYS A 32 8.891 2.338 -8.627 1.00 44.04 H new ATOM 0 HZ3 LYS A 32 8.581 3.327 -9.971 1.00 44.04 H new ATOM 459 N LEU A 33 2.042 -0.381 -5.732 1.00 71.31 N ATOM 460 CA LEU A 33 1.565 -1.554 -5.008 1.00 61.24 C ATOM 461 C LEU A 33 1.656 -2.803 -5.877 1.00 4.44 C ATOM 462 O LEU A 33 1.241 -2.798 -7.035 1.00 0.33 O ATOM 463 CB LEU A 33 0.122 -1.341 -4.549 1.00 21.01 C ATOM 464 CG LEU A 33 -0.246 -1.943 -3.191 1.00 72.33 C ATOM 465 CD1 LEU A 33 -1.754 -1.945 -2.999 1.00 43.15 C ATOM 466 CD2 LEU A 33 0.312 -3.353 -3.064 1.00 21.23 C ATOM 0 H LEU A 33 1.716 -0.320 -6.696 1.00 71.31 H new ATOM 0 HA LEU A 33 2.200 -1.696 -4.134 1.00 61.24 H new ATOM 0 HB2 LEU A 33 -0.073 -0.269 -4.514 1.00 21.01 H new ATOM 0 HB3 LEU A 33 -0.544 -1.761 -5.303 1.00 21.01 H new ATOM 0 HG LEU A 33 0.198 -1.326 -2.409 1.00 72.33 H new ATOM 0 HD11 LEU A 33 -1.997 -2.377 -2.028 1.00 43.15 H new ATOM 0 HD12 LEU A 33 -2.128 -0.922 -3.045 1.00 43.15 H new ATOM 0 HD13 LEU A 33 -2.220 -2.538 -3.786 1.00 43.15 H new ATOM 0 HD21 LEU A 33 0.041 -3.766 -2.092 1.00 21.23 H new ATOM 0 HD22 LEU A 33 -0.102 -3.981 -3.853 1.00 21.23 H new ATOM 0 HD23 LEU A 33 1.398 -3.324 -3.156 1.00 21.23 H new ATOM 477 N ASN A 34 2.199 -3.876 -5.309 1.00 30.22 N ATOM 478 CA ASN A 34 2.342 -5.135 -6.031 1.00 75.11 C ATOM 479 C ASN A 34 1.511 -6.233 -5.378 1.00 45.45 C ATOM 480 O ASN A 34 1.707 -6.567 -4.209 1.00 1.13 O ATOM 481 CB ASN A 34 3.813 -5.553 -6.080 1.00 12.22 C ATOM 482 CG ASN A 34 4.133 -6.398 -7.298 1.00 11.44 C ATOM 483 OD1 ASN A 34 4.975 -6.031 -8.119 1.00 22.41 O ATOM 484 ND2 ASN A 34 3.462 -7.537 -7.421 1.00 62.34 N ATOM 0 H ASN A 34 2.547 -3.898 -4.351 1.00 30.22 H new ATOM 0 HA ASN A 34 1.979 -4.986 -7.048 1.00 75.11 H new ATOM 0 HB2 ASN A 34 4.441 -4.662 -6.084 1.00 12.22 H new ATOM 0 HB3 ASN A 34 4.059 -6.113 -5.178 1.00 12.22 H new ATOM 0 HD21 ASN A 34 3.635 -8.147 -8.220 1.00 62.34 H new ATOM 0 HD22 ASN A 34 2.773 -7.802 -6.717 1.00 62.34 H new ATOM 490 N THR A 35 0.580 -6.797 -6.142 1.00 60.33 N ATOM 491 CA THR A 35 -0.284 -7.858 -5.639 1.00 41.15 C ATOM 492 C THR A 35 -0.501 -8.936 -6.695 1.00 61.13 C ATOM 493 O THR A 35 0.014 -8.842 -7.807 1.00 12.42 O ATOM 494 CB THR A 35 -1.652 -7.306 -5.195 1.00 4.52 C ATOM 495 OG1 THR A 35 -2.473 -7.052 -6.339 1.00 71.11 O ATOM 496 CG2 THR A 35 -1.484 -6.028 -4.390 1.00 32.33 C ATOM 0 H THR A 35 0.405 -6.536 -7.112 1.00 60.33 H new ATOM 0 HA THR A 35 0.220 -8.294 -4.776 1.00 41.15 H new ATOM 0 HB THR A 35 -2.133 -8.053 -4.563 1.00 4.52 H new ATOM 0 HG1 THR A 35 -3.289 -7.592 -6.283 1.00 71.11 H new ATOM 0 HG21 THR A 35 -2.463 -5.657 -4.088 1.00 32.33 H new ATOM 0 HG22 THR A 35 -0.884 -6.233 -3.503 1.00 32.33 H new ATOM 0 HG23 THR A 35 -0.984 -5.276 -5.001 1.00 32.33 H new ATOM 504 N GLY A 36 -1.270 -9.960 -6.339 1.00 70.25 N ATOM 505 CA GLY A 36 -1.544 -11.041 -7.268 1.00 24.24 C ATOM 506 C GLY A 36 -0.377 -11.998 -7.402 1.00 13.44 C ATOM 507 O GLY A 36 0.165 -12.472 -6.403 1.00 12.22 O ATOM 0 H GLY A 36 -1.708 -10.061 -5.424 1.00 70.25 H new ATOM 0 HA2 GLY A 36 -2.424 -11.590 -6.933 1.00 24.24 H new ATOM 0 HA3 GLY A 36 -1.782 -10.624 -8.246 1.00 24.24 H new ATOM 511 N ARG A 37 0.011 -12.287 -8.641 1.00 33.34 N ATOM 512 CA ARG A 37 1.119 -13.196 -8.902 1.00 11.23 C ATOM 513 C ARG A 37 2.305 -12.450 -9.508 1.00 74.31 C ATOM 514 O ARG A 37 3.460 -12.733 -9.189 1.00 34.22 O ATOM 515 CB ARG A 37 0.675 -14.318 -9.843 1.00 53.11 C ATOM 516 CG ARG A 37 0.164 -15.553 -9.119 1.00 14.32 C ATOM 517 CD ARG A 37 -1.234 -15.335 -8.562 1.00 12.14 C ATOM 518 NE ARG A 37 -2.206 -15.061 -9.617 1.00 33.42 N ATOM 519 CZ ARG A 37 -2.648 -15.980 -10.467 1.00 3.31 C ATOM 520 NH1 ARG A 37 -2.207 -17.228 -10.387 1.00 1.34 N ATOM 521 NH2 ARG A 37 -3.533 -15.654 -11.399 1.00 64.34 N ATOM 0 H ARG A 37 -0.427 -11.904 -9.479 1.00 33.34 H new ATOM 0 HA ARG A 37 1.431 -13.629 -7.952 1.00 11.23 H new ATOM 0 HB2 ARG A 37 -0.109 -13.941 -10.499 1.00 53.11 H new ATOM 0 HB3 ARG A 37 1.514 -14.601 -10.479 1.00 53.11 H new ATOM 0 HG2 ARG A 37 0.155 -16.400 -9.805 1.00 14.32 H new ATOM 0 HG3 ARG A 37 0.845 -15.807 -8.307 1.00 14.32 H new ATOM 0 HD2 ARG A 37 -1.544 -16.219 -8.004 1.00 12.14 H new ATOM 0 HD3 ARG A 37 -1.218 -14.503 -7.858 1.00 12.14 H new ATOM 0 HE ARG A 37 -2.565 -14.111 -9.706 1.00 33.42 H new ATOM 0 HH11 ARG A 37 -1.527 -17.484 -9.671 1.00 1.34 H new ATOM 0 HH12 ARG A 37 -2.548 -17.932 -11.041 1.00 1.34 H new ATOM 0 HH21 ARG A 37 -3.876 -14.695 -11.464 1.00 64.34 H new ATOM 0 HH22 ARG A 37 -3.871 -16.362 -12.051 1.00 64.34 H new ATOM 532 N THR A 38 2.010 -11.494 -10.384 1.00 33.43 N ATOM 533 CA THR A 38 3.050 -10.708 -11.036 1.00 33.23 C ATOM 534 C THR A 38 2.449 -9.696 -12.004 1.00 31.40 C ATOM 535 O THR A 38 3.017 -8.630 -12.235 1.00 20.33 O ATOM 536 CB THR A 38 4.039 -11.608 -11.801 1.00 32.33 C ATOM 537 OG1 THR A 38 5.245 -10.887 -12.075 1.00 41.41 O ATOM 538 CG2 THR A 38 3.427 -12.099 -13.105 1.00 24.54 C ATOM 0 H THR A 38 1.059 -11.246 -10.658 1.00 33.43 H new ATOM 0 HA THR A 38 3.586 -10.179 -10.248 1.00 33.23 H new ATOM 0 HB THR A 38 4.267 -12.473 -11.178 1.00 32.33 H new ATOM 0 HG1 THR A 38 5.869 -11.466 -12.560 1.00 41.41 H new ATOM 0 HG21 THR A 38 4.144 -12.732 -13.628 1.00 24.54 H new ATOM 0 HG22 THR A 38 2.525 -12.672 -12.890 1.00 24.54 H new ATOM 0 HG23 THR A 38 3.173 -11.244 -13.732 1.00 24.54 H new ATOM 546 N GLU A 39 1.294 -10.037 -12.569 1.00 64.14 N ATOM 547 CA GLU A 39 0.617 -9.158 -13.514 1.00 23.41 C ATOM 548 C GLU A 39 -0.546 -8.431 -12.842 1.00 72.54 C ATOM 549 O GLU A 39 -1.571 -8.166 -13.469 1.00 3.01 O ATOM 550 CB GLU A 39 0.107 -9.956 -14.715 1.00 20.23 C ATOM 551 CG GLU A 39 1.218 -10.522 -15.584 1.00 70.43 C ATOM 552 CD GLU A 39 1.467 -9.689 -16.826 1.00 52.41 C ATOM 553 OE1 GLU A 39 1.534 -8.448 -16.705 1.00 35.33 O ATOM 554 OE2 GLU A 39 1.596 -10.279 -17.920 1.00 61.11 O ATOM 0 H GLU A 39 0.809 -10.916 -12.388 1.00 64.14 H new ATOM 0 HA GLU A 39 1.337 -8.417 -13.860 1.00 23.41 H new ATOM 0 HB2 GLU A 39 -0.517 -10.775 -14.358 1.00 20.23 H new ATOM 0 HB3 GLU A 39 -0.528 -9.313 -15.325 1.00 20.23 H new ATOM 0 HG2 GLU A 39 2.137 -10.581 -15.000 1.00 70.43 H new ATOM 0 HG3 GLU A 39 0.961 -11.540 -15.879 1.00 70.43 H new ATOM 559 N ALA A 40 -0.379 -8.114 -11.563 1.00 1.02 N ATOM 560 CA ALA A 40 -1.412 -7.419 -10.806 1.00 34.12 C ATOM 561 C ALA A 40 -0.865 -6.143 -10.174 1.00 63.33 C ATOM 562 O ALA A 40 -1.613 -5.355 -9.595 1.00 44.13 O ATOM 563 CB ALA A 40 -1.991 -8.333 -9.737 1.00 25.05 C ATOM 0 H ALA A 40 0.463 -8.328 -11.029 1.00 1.02 H new ATOM 0 HA ALA A 40 -2.207 -7.140 -11.498 1.00 34.12 H new ATOM 0 HB1 ALA A 40 -2.761 -7.799 -9.180 1.00 25.05 H new ATOM 0 HB2 ALA A 40 -2.428 -9.213 -10.209 1.00 25.05 H new ATOM 0 HB3 ALA A 40 -1.199 -8.643 -9.055 1.00 25.05 H new ATOM 569 N TRP A 41 0.443 -5.946 -10.287 1.00 43.41 N ATOM 570 CA TRP A 41 1.091 -4.766 -9.725 1.00 44.43 C ATOM 571 C TRP A 41 0.672 -3.507 -10.476 1.00 35.14 C ATOM 572 O TRP A 41 0.724 -3.459 -11.705 1.00 41.21 O ATOM 573 CB TRP A 41 2.612 -4.923 -9.772 1.00 65.41 C ATOM 574 CG TRP A 41 3.180 -4.785 -11.152 1.00 61.11 C ATOM 575 CD1 TRP A 41 2.938 -5.597 -12.223 1.00 33.01 C ATOM 576 CD2 TRP A 41 4.087 -3.775 -11.609 1.00 0.32 C ATOM 577 NE1 TRP A 41 3.640 -5.153 -13.318 1.00 10.40 N ATOM 578 CE2 TRP A 41 4.352 -4.035 -12.966 1.00 45.34 C ATOM 579 CE3 TRP A 41 4.699 -2.674 -11.002 1.00 0.41 C ATOM 580 CZ2 TRP A 41 5.202 -3.237 -13.726 1.00 1.41 C ATOM 581 CZ3 TRP A 41 5.544 -1.883 -11.757 1.00 62.44 C ATOM 582 CH2 TRP A 41 5.789 -2.166 -13.107 1.00 63.15 C ATOM 0 H TRP A 41 1.077 -6.588 -10.763 1.00 43.41 H new ATOM 0 HA TRP A 41 0.776 -4.668 -8.686 1.00 44.43 H new ATOM 0 HB2 TRP A 41 3.068 -4.175 -9.123 1.00 65.41 H new ATOM 0 HB3 TRP A 41 2.882 -5.900 -9.372 1.00 65.41 H new ATOM 0 HD1 TRP A 41 2.290 -6.461 -12.211 1.00 33.01 H new ATOM 0 HE1 TRP A 41 3.633 -5.585 -14.242 1.00 10.40 H new ATOM 0 HE3 TRP A 41 4.515 -2.446 -9.963 1.00 0.41 H new ATOM 0 HZ2 TRP A 41 5.392 -3.455 -14.767 1.00 1.41 H new ATOM 0 HZ3 TRP A 41 6.024 -1.031 -11.298 1.00 62.44 H new ATOM 0 HH2 TRP A 41 6.453 -1.527 -13.670 1.00 63.15 H new ATOM 592 N LYS A 42 0.259 -2.489 -9.729 1.00 64.04 N ATOM 593 CA LYS A 42 -0.167 -1.226 -10.324 1.00 0.14 C ATOM 594 C LYS A 42 0.413 -0.042 -9.559 1.00 3.20 C ATOM 595 O LYS A 42 0.803 -0.169 -8.397 1.00 63.23 O ATOM 596 CB LYS A 42 -1.694 -1.138 -10.341 1.00 63.42 C ATOM 597 CG LYS A 42 -2.324 -1.203 -8.961 1.00 12.23 C ATOM 598 CD LYS A 42 -2.925 -2.571 -8.686 1.00 45.04 C ATOM 599 CE LYS A 42 -3.616 -2.614 -7.331 1.00 52.40 C ATOM 600 NZ LYS A 42 -3.814 -4.011 -6.855 1.00 12.14 N ATOM 0 H LYS A 42 0.210 -2.513 -8.710 1.00 64.04 H new ATOM 0 HA LYS A 42 0.205 -1.191 -11.348 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -1.990 -0.206 -10.822 1.00 63.42 H new ATOM 0 HB3 LYS A 42 -2.089 -1.951 -10.950 1.00 63.42 H new ATOM 0 HG2 LYS A 42 -1.572 -0.977 -8.206 1.00 12.23 H new ATOM 0 HG3 LYS A 42 -3.099 -0.441 -8.878 1.00 12.23 H new ATOM 0 HD2 LYS A 42 -3.642 -2.819 -9.469 1.00 45.04 H new ATOM 0 HD3 LYS A 42 -2.141 -3.328 -8.720 1.00 45.04 H new ATOM 0 HE2 LYS A 42 -3.022 -2.063 -6.602 1.00 52.40 H new ATOM 0 HE3 LYS A 42 -4.582 -2.113 -7.399 1.00 52.40 H new ATOM 0 HZ1 LYS A 42 -4.288 -3.998 -5.929 1.00 12.14 H new ATOM 0 HZ2 LYS A 42 -4.402 -4.530 -7.538 1.00 12.14 H new ATOM 0 HZ3 LYS A 42 -2.891 -4.481 -6.765 1.00 12.14 H new ATOM 610 N VAL A 43 0.469 1.112 -10.217 1.00 64.30 N ATOM 611 CA VAL A 43 0.998 2.321 -9.598 1.00 13.42 C ATOM 612 C VAL A 43 -0.086 3.064 -8.826 1.00 72.53 C ATOM 613 O VAL A 43 -1.114 3.446 -9.388 1.00 54.32 O ATOM 614 CB VAL A 43 1.608 3.268 -10.648 1.00 72.44 C ATOM 615 CG1 VAL A 43 2.100 4.548 -9.990 1.00 35.02 C ATOM 616 CG2 VAL A 43 2.734 2.577 -11.399 1.00 52.21 C ATOM 0 H VAL A 43 0.154 1.235 -11.179 1.00 64.30 H new ATOM 0 HA VAL A 43 1.780 2.006 -8.906 1.00 13.42 H new ATOM 0 HB VAL A 43 0.833 3.533 -11.367 1.00 72.44 H new ATOM 0 HG11 VAL A 43 2.528 5.205 -10.747 1.00 35.02 H new ATOM 0 HG12 VAL A 43 1.265 5.051 -9.503 1.00 35.02 H new ATOM 0 HG13 VAL A 43 2.861 4.306 -9.248 1.00 35.02 H new ATOM 0 HG21 VAL A 43 3.153 3.261 -12.137 1.00 52.21 H new ATOM 0 HG22 VAL A 43 3.512 2.281 -10.696 1.00 52.21 H new ATOM 0 HG23 VAL A 43 2.346 1.693 -11.904 1.00 52.21 H new ATOM 626 N LEU A 44 0.148 3.268 -7.534 1.00 43.32 N ATOM 627 CA LEU A 44 -0.810 3.966 -6.684 1.00 13.23 C ATOM 628 C LEU A 44 -0.503 5.459 -6.632 1.00 55.14 C ATOM 629 O LEU A 44 0.653 5.871 -6.731 1.00 4.42 O ATOM 630 CB LEU A 44 -0.786 3.381 -5.270 1.00 64.15 C ATOM 631 CG LEU A 44 -1.790 2.261 -4.993 1.00 4.21 C ATOM 632 CD1 LEU A 44 -1.611 1.723 -3.581 1.00 72.14 C ATOM 633 CD2 LEU A 44 -3.214 2.756 -5.200 1.00 33.42 C ATOM 0 H LEU A 44 0.993 2.960 -7.052 1.00 43.32 H new ATOM 0 HA LEU A 44 -1.804 3.832 -7.111 1.00 13.23 H new ATOM 0 HB2 LEU A 44 0.216 3.001 -5.072 1.00 64.15 H new ATOM 0 HB3 LEU A 44 -0.967 4.188 -4.561 1.00 64.15 H new ATOM 0 HG LEU A 44 -1.604 1.450 -5.697 1.00 4.21 H new ATOM 0 HD11 LEU A 44 -2.333 0.927 -3.401 1.00 72.14 H new ATOM 0 HD12 LEU A 44 -0.601 1.329 -3.467 1.00 72.14 H new ATOM 0 HD13 LEU A 44 -1.770 2.527 -2.862 1.00 72.14 H new ATOM 0 HD21 LEU A 44 -3.914 1.945 -4.998 1.00 33.42 H new ATOM 0 HD22 LEU A 44 -3.413 3.585 -4.521 1.00 33.42 H new ATOM 0 HD23 LEU A 44 -3.336 3.093 -6.229 1.00 33.42 H new ATOM 644 N SER A 45 -1.547 6.267 -6.477 1.00 30.15 N ATOM 645 CA SER A 45 -1.389 7.716 -6.414 1.00 61.22 C ATOM 646 C SER A 45 -1.984 8.271 -5.123 1.00 23.43 C ATOM 647 O SER A 45 -2.753 7.609 -4.429 1.00 3.21 O ATOM 648 CB SER A 45 -2.059 8.375 -7.621 1.00 53.12 C ATOM 649 OG SER A 45 -1.096 8.795 -8.572 1.00 53.33 O ATOM 0 H SER A 45 -2.511 5.944 -6.393 1.00 30.15 H new ATOM 0 HA SER A 45 -0.323 7.942 -6.430 1.00 61.22 H new ATOM 0 HB2 SER A 45 -2.751 7.672 -8.085 1.00 53.12 H new ATOM 0 HB3 SER A 45 -2.647 9.231 -7.292 1.00 53.12 H new ATOM 0 HG SER A 45 -1.549 9.211 -9.335 1.00 53.33 H new ATOM 772 N ALA A 56 -9.855 0.767 -2.007 1.00 25.21 N ATOM 773 CA ALA A 56 -9.209 1.505 -0.928 1.00 11.21 C ATOM 774 C ALA A 56 -8.919 2.943 -1.344 1.00 73.13 C ATOM 775 O ALA A 56 -9.080 3.307 -2.510 1.00 73.02 O ATOM 776 CB ALA A 56 -7.923 0.806 -0.508 1.00 32.13 C ATOM 0 HA ALA A 56 -9.891 1.530 -0.078 1.00 11.21 H new ATOM 0 HB1 ALA A 56 -7.450 1.367 0.298 1.00 32.13 H new ATOM 0 HB2 ALA A 56 -8.153 -0.202 -0.162 1.00 32.13 H new ATOM 0 HB3 ALA A 56 -7.244 0.752 -1.359 1.00 32.13 H new ATOM 782 N ARG A 57 -8.492 3.758 -0.384 1.00 3.21 N ATOM 783 CA ARG A 57 -8.182 5.157 -0.651 1.00 64.31 C ATOM 784 C ARG A 57 -6.822 5.533 -0.072 1.00 3.31 C ATOM 785 O ARG A 57 -6.260 4.804 0.745 1.00 24.42 O ATOM 786 CB ARG A 57 -9.268 6.062 -0.064 1.00 1.21 C ATOM 787 CG ARG A 57 -10.184 5.355 0.921 1.00 24.23 C ATOM 788 CD ARG A 57 -9.448 4.985 2.199 1.00 32.14 C ATOM 789 NE ARG A 57 -9.689 5.949 3.270 1.00 62.24 N ATOM 790 CZ ARG A 57 -8.921 7.010 3.490 1.00 1.22 C ATOM 791 NH1 ARG A 57 -7.867 7.241 2.719 1.00 3.34 N ATOM 792 NH2 ARG A 57 -9.205 7.842 4.484 1.00 72.41 N ATOM 0 H ARG A 57 -8.353 3.473 0.585 1.00 3.21 H new ATOM 0 HA ARG A 57 -8.147 5.296 -1.731 1.00 64.31 H new ATOM 0 HB2 ARG A 57 -8.794 6.907 0.436 1.00 1.21 H new ATOM 0 HB3 ARG A 57 -9.868 6.469 -0.878 1.00 1.21 H new ATOM 0 HG2 ARG A 57 -11.030 6.000 1.160 1.00 24.23 H new ATOM 0 HG3 ARG A 57 -10.590 4.455 0.460 1.00 24.23 H new ATOM 0 HD2 ARG A 57 -9.765 3.994 2.525 1.00 32.14 H new ATOM 0 HD3 ARG A 57 -8.378 4.928 1.997 1.00 32.14 H new ATOM 0 HE ARG A 57 -10.491 5.799 3.882 1.00 62.24 H new ATOM 0 HH11 ARG A 57 -7.645 6.603 1.955 1.00 3.34 H new ATOM 0 HH12 ARG A 57 -7.279 8.057 2.890 1.00 3.34 H new ATOM 0 HH21 ARG A 57 -10.014 7.667 5.080 1.00 72.41 H new ATOM 0 HH22 ARG A 57 -8.614 8.656 4.652 1.00 72.41 H new ATOM 803 N VAL A 58 -6.298 6.676 -0.502 1.00 53.03 N ATOM 804 CA VAL A 58 -5.003 7.150 -0.025 1.00 60.14 C ATOM 805 C VAL A 58 -5.166 8.321 0.936 1.00 64.13 C ATOM 806 O VAL A 58 -5.870 9.289 0.640 1.00 40.10 O ATOM 807 CB VAL A 58 -4.099 7.582 -1.195 1.00 51.52 C ATOM 808 CG1 VAL A 58 -2.863 8.302 -0.677 1.00 61.50 C ATOM 809 CG2 VAL A 58 -3.709 6.377 -2.039 1.00 55.15 C ATOM 0 H VAL A 58 -6.749 7.291 -1.179 1.00 53.03 H new ATOM 0 HA VAL A 58 -4.534 6.317 0.499 1.00 60.14 H new ATOM 0 HB VAL A 58 -4.656 8.275 -1.826 1.00 51.52 H new ATOM 0 HG11 VAL A 58 -2.236 8.600 -1.518 1.00 61.50 H new ATOM 0 HG12 VAL A 58 -3.165 9.188 -0.118 1.00 61.50 H new ATOM 0 HG13 VAL A 58 -2.301 7.635 -0.023 1.00 61.50 H new ATOM 0 HG21 VAL A 58 -3.070 6.700 -2.861 1.00 55.15 H new ATOM 0 HG22 VAL A 58 -3.170 5.659 -1.421 1.00 55.15 H new ATOM 0 HG23 VAL A 58 -4.607 5.908 -2.440 1.00 55.15 H new ATOM 819 N LEU A 59 -4.512 8.231 2.088 1.00 0.15 N ATOM 820 CA LEU A 59 -4.584 9.284 3.094 1.00 32.15 C ATOM 821 C LEU A 59 -3.853 10.538 2.623 1.00 10.51 C ATOM 822 O LEU A 59 -2.979 10.488 1.756 1.00 61.35 O ATOM 823 CB LEU A 59 -3.984 8.797 4.415 1.00 40.21 C ATOM 824 CG LEU A 59 -4.789 7.737 5.167 1.00 45.32 C ATOM 825 CD1 LEU A 59 -4.478 6.349 4.629 1.00 31.05 C ATOM 826 CD2 LEU A 59 -4.504 7.810 6.659 1.00 23.33 C ATOM 0 H LEU A 59 -3.925 7.439 2.349 1.00 0.15 H new ATOM 0 HA LEU A 59 -5.634 9.533 3.248 1.00 32.15 H new ATOM 0 HB2 LEU A 59 -2.991 8.395 4.214 1.00 40.21 H new ATOM 0 HB3 LEU A 59 -3.853 9.658 5.071 1.00 40.21 H new ATOM 0 HG LEU A 59 -5.849 7.935 5.011 1.00 45.32 H new ATOM 0 HD11 LEU A 59 -5.060 5.608 5.176 1.00 31.05 H new ATOM 0 HD12 LEU A 59 -4.735 6.303 3.571 1.00 31.05 H new ATOM 0 HD13 LEU A 59 -3.416 6.140 4.754 1.00 31.05 H new ATOM 0 HD21 LEU A 59 -5.086 7.048 7.178 1.00 23.33 H new ATOM 0 HD22 LEU A 59 -3.442 7.639 6.835 1.00 23.33 H new ATOM 0 HD23 LEU A 59 -4.780 8.796 7.034 1.00 23.33 H new ATOM 837 N PRO A 60 -4.216 11.689 3.207 1.00 30.51 N ATOM 838 CA PRO A 60 -3.606 12.977 2.866 1.00 52.51 C ATOM 839 C PRO A 60 -2.160 13.078 3.340 1.00 35.01 C ATOM 840 O PRO A 60 -1.376 13.862 2.808 1.00 12.42 O ATOM 841 CB PRO A 60 -4.482 13.992 3.602 1.00 65.12 C ATOM 842 CG PRO A 60 -5.067 13.231 4.741 1.00 2.11 C ATOM 843 CD PRO A 60 -5.249 11.821 4.248 1.00 35.44 C ATOM 0 HA PRO A 60 -3.563 13.134 1.788 1.00 52.51 H new ATOM 0 HB2 PRO A 60 -3.895 14.841 3.953 1.00 65.12 H new ATOM 0 HB3 PRO A 60 -5.260 14.390 2.950 1.00 65.12 H new ATOM 0 HG2 PRO A 60 -4.408 13.259 5.609 1.00 2.11 H new ATOM 0 HG3 PRO A 60 -6.019 13.662 5.050 1.00 2.11 H new ATOM 0 HD2 PRO A 60 -5.109 11.094 5.048 1.00 35.44 H new ATOM 0 HD3 PRO A 60 -6.249 11.662 3.845 1.00 35.44 H new ATOM 848 N ASN A 61 -1.814 12.279 4.343 1.00 45.22 N ATOM 849 CA ASN A 61 -0.461 12.278 4.890 1.00 75.44 C ATOM 850 C ASN A 61 0.461 11.392 4.059 1.00 61.11 C ATOM 851 O ASN A 61 1.638 11.232 4.378 1.00 44.34 O ATOM 852 CB ASN A 61 -0.477 11.798 6.342 1.00 2.44 C ATOM 853 CG ASN A 61 -1.437 10.644 6.560 1.00 22.33 C ATOM 854 OD1 ASN A 61 -2.654 10.826 6.548 1.00 5.40 O ATOM 855 ND2 ASN A 61 -0.892 9.450 6.761 1.00 52.10 N ATOM 0 H ASN A 61 -2.451 11.623 4.794 1.00 45.22 H new ATOM 0 HA ASN A 61 -0.081 13.299 4.856 1.00 75.44 H new ATOM 0 HB2 ASN A 61 0.528 11.490 6.631 1.00 2.44 H new ATOM 0 HB3 ASN A 61 -0.756 12.627 6.993 1.00 2.44 H new ATOM 0 HD21 ASN A 61 -1.488 8.637 6.914 1.00 52.10 H new ATOM 0 HD22 ASN A 61 0.123 9.346 6.763 1.00 52.10 H new ATOM 861 N GLY A 62 -0.084 10.821 2.987 1.00 2.25 N ATOM 862 CA GLY A 62 0.704 9.958 2.126 1.00 60.21 C ATOM 863 C GLY A 62 0.629 8.503 2.539 1.00 54.31 C ATOM 864 O GLY A 62 1.519 7.714 2.220 1.00 51.22 O ATOM 0 H GLY A 62 -1.056 10.941 2.701 1.00 2.25 H new ATOM 0 HA2 GLY A 62 0.355 10.059 1.098 1.00 60.21 H new ATOM 0 HA3 GLY A 62 1.744 10.284 2.143 1.00 60.21 H new ATOM 868 N SER A 63 -0.434 8.145 3.251 1.00 2.43 N ATOM 869 CA SER A 63 -0.618 6.773 3.713 1.00 31.31 C ATOM 870 C SER A 63 -1.693 6.065 2.894 1.00 34.33 C ATOM 871 O SER A 63 -2.287 6.650 1.989 1.00 22.44 O ATOM 872 CB SER A 63 -0.997 6.758 5.195 1.00 23.13 C ATOM 873 OG SER A 63 0.141 6.968 6.015 1.00 73.15 O ATOM 0 H SER A 63 -1.181 8.785 3.521 1.00 2.43 H new ATOM 0 HA SER A 63 0.324 6.241 3.581 1.00 31.31 H new ATOM 0 HB2 SER A 63 -1.739 7.532 5.392 1.00 23.13 H new ATOM 0 HB3 SER A 63 -1.459 5.803 5.446 1.00 23.13 H new ATOM 0 HG SER A 63 0.716 7.649 5.608 1.00 73.15 H new ATOM 878 N LEU A 64 -1.938 4.800 3.220 1.00 14.10 N ATOM 879 CA LEU A 64 -2.941 4.011 2.517 1.00 3.50 C ATOM 880 C LEU A 64 -3.851 3.282 3.502 1.00 73.12 C ATOM 881 O LEU A 64 -3.379 2.590 4.404 1.00 41.33 O ATOM 882 CB LEU A 64 -2.263 2.999 1.589 1.00 52.24 C ATOM 883 CG LEU A 64 -3.191 2.213 0.661 1.00 33.15 C ATOM 884 CD1 LEU A 64 -3.865 3.143 -0.334 1.00 42.02 C ATOM 885 CD2 LEU A 64 -2.419 1.120 -0.064 1.00 74.43 C ATOM 0 H LEU A 64 -1.455 4.300 3.967 1.00 14.10 H new ATOM 0 HA LEU A 64 -3.551 4.691 1.922 1.00 3.50 H new ATOM 0 HB2 LEU A 64 -1.534 3.529 0.977 1.00 52.24 H new ATOM 0 HB3 LEU A 64 -1.708 2.289 2.202 1.00 52.24 H new ATOM 0 HG LEU A 64 -3.965 1.742 1.267 1.00 33.15 H new ATOM 0 HD11 LEU A 64 -4.521 2.565 -0.985 1.00 42.02 H new ATOM 0 HD12 LEU A 64 -4.452 3.888 0.204 1.00 42.02 H new ATOM 0 HD13 LEU A 64 -3.106 3.644 -0.935 1.00 42.02 H new ATOM 0 HD21 LEU A 64 -3.095 0.571 -0.720 1.00 74.43 H new ATOM 0 HD22 LEU A 64 -1.623 1.569 -0.658 1.00 74.43 H new ATOM 0 HD23 LEU A 64 -1.986 0.436 0.665 1.00 74.43 H new ATOM 896 N PHE A 65 -5.157 3.442 3.320 1.00 22.35 N ATOM 897 CA PHE A 65 -6.135 2.800 4.193 1.00 43.51 C ATOM 898 C PHE A 65 -7.189 2.060 3.376 1.00 43.34 C ATOM 899 O PHE A 65 -7.796 2.625 2.466 1.00 72.15 O ATOM 900 CB PHE A 65 -6.807 3.840 5.092 1.00 43.20 C ATOM 901 CG PHE A 65 -8.051 3.333 5.766 1.00 13.25 C ATOM 902 CD1 PHE A 65 -8.097 2.053 6.293 1.00 15.11 C ATOM 903 CD2 PHE A 65 -9.173 4.137 5.872 1.00 61.40 C ATOM 904 CE1 PHE A 65 -9.240 1.584 6.913 1.00 20.32 C ATOM 905 CE2 PHE A 65 -10.319 3.675 6.491 1.00 60.41 C ATOM 906 CZ PHE A 65 -10.352 2.397 7.013 1.00 1.11 C ATOM 0 H PHE A 65 -5.564 4.010 2.577 1.00 22.35 H new ATOM 0 HA PHE A 65 -5.610 2.076 4.816 1.00 43.51 H new ATOM 0 HB2 PHE A 65 -6.097 4.164 5.853 1.00 43.20 H new ATOM 0 HB3 PHE A 65 -7.058 4.717 4.495 1.00 43.20 H new ATOM 0 HD1 PHE A 65 -7.230 1.414 6.219 1.00 15.11 H new ATOM 0 HD2 PHE A 65 -9.152 5.138 5.466 1.00 61.40 H new ATOM 0 HE1 PHE A 65 -9.263 0.583 7.319 1.00 20.32 H new ATOM 0 HE2 PHE A 65 -11.187 4.313 6.566 1.00 60.41 H new ATOM 0 HZ PHE A 65 -11.246 2.034 7.499 1.00 1.11 H new ATOM 915 N LEU A 66 -7.400 0.790 3.706 1.00 12.13 N ATOM 916 CA LEU A 66 -8.381 -0.030 3.004 1.00 4.20 C ATOM 917 C LEU A 66 -9.436 -0.562 3.968 1.00 20.41 C ATOM 918 O LEU A 66 -9.129 -1.075 5.044 1.00 53.02 O ATOM 919 CB LEU A 66 -7.687 -1.196 2.297 1.00 52.12 C ATOM 920 CG LEU A 66 -6.323 -0.889 1.677 1.00 72.15 C ATOM 921 CD1 LEU A 66 -5.211 -1.136 2.685 1.00 33.12 C ATOM 922 CD2 LEU A 66 -6.106 -1.726 0.425 1.00 23.33 C ATOM 0 H LEU A 66 -6.905 0.306 4.455 1.00 12.13 H new ATOM 0 HA LEU A 66 -8.876 0.596 2.261 1.00 4.20 H new ATOM 0 HB2 LEU A 66 -7.563 -2.008 3.014 1.00 52.12 H new ATOM 0 HB3 LEU A 66 -8.347 -1.563 1.511 1.00 52.12 H new ATOM 0 HG LEU A 66 -6.302 0.164 1.394 1.00 72.15 H new ATOM 0 HD11 LEU A 66 -4.248 -0.912 2.226 1.00 33.12 H new ATOM 0 HD12 LEU A 66 -5.357 -0.493 3.553 1.00 33.12 H new ATOM 0 HD13 LEU A 66 -5.230 -2.180 2.999 1.00 33.12 H new ATOM 0 HD21 LEU A 66 -5.131 -1.495 -0.003 1.00 23.33 H new ATOM 0 HD22 LEU A 66 -6.147 -2.784 0.683 1.00 23.33 H new ATOM 0 HD23 LEU A 66 -6.885 -1.500 -0.303 1.00 23.33 H new ATOM 933 N PRO A 67 -10.713 -0.438 3.575 1.00 42.03 N ATOM 934 CA PRO A 67 -11.841 -0.903 4.387 1.00 33.21 C ATOM 935 C PRO A 67 -11.911 -2.423 4.468 1.00 60.12 C ATOM 936 O PRO A 67 -12.339 -2.982 5.477 1.00 0.40 O ATOM 937 CB PRO A 67 -13.063 -0.350 3.649 1.00 10.34 C ATOM 938 CG PRO A 67 -12.612 -0.194 2.237 1.00 62.23 C ATOM 939 CD PRO A 67 -11.154 0.164 2.304 1.00 64.12 C ATOM 0 HA PRO A 67 -11.763 -0.567 5.421 1.00 33.21 H new ATOM 0 HB2 PRO A 67 -13.911 -1.031 3.721 1.00 10.34 H new ATOM 0 HB3 PRO A 67 -13.383 0.603 4.070 1.00 10.34 H new ATOM 0 HG2 PRO A 67 -12.762 -1.116 1.676 1.00 62.23 H new ATOM 0 HG3 PRO A 67 -13.182 0.584 1.729 1.00 62.23 H new ATOM 0 HD2 PRO A 67 -10.602 -0.239 1.455 1.00 64.12 H new ATOM 0 HD3 PRO A 67 -11.005 1.244 2.297 1.00 64.12 H new ATOM 944 N ALA A 68 -11.486 -3.088 3.397 1.00 24.11 N ATOM 945 CA ALA A 68 -11.498 -4.545 3.348 1.00 63.22 C ATOM 946 C ALA A 68 -10.470 -5.068 2.351 1.00 43.40 C ATOM 947 O ALA A 68 -10.685 -5.023 1.141 1.00 41.45 O ATOM 948 CB ALA A 68 -12.888 -5.050 2.991 1.00 74.30 C ATOM 0 H ALA A 68 -11.130 -2.640 2.553 1.00 24.11 H new ATOM 0 HA ALA A 68 -11.231 -4.920 4.336 1.00 63.22 H new ATOM 0 HB1 ALA A 68 -12.882 -6.139 2.958 1.00 74.30 H new ATOM 0 HB2 ALA A 68 -13.602 -4.714 3.743 1.00 74.30 H new ATOM 0 HB3 ALA A 68 -13.178 -4.659 2.016 1.00 74.30 H new ATOM 954 N VAL A 69 -9.350 -5.566 2.869 1.00 55.04 N ATOM 955 CA VAL A 69 -8.290 -6.098 2.024 1.00 54.41 C ATOM 956 C VAL A 69 -8.685 -7.444 1.426 1.00 32.12 C ATOM 957 O VAL A 69 -8.942 -8.405 2.149 1.00 72.30 O ATOM 958 CB VAL A 69 -6.975 -6.265 2.811 1.00 22.11 C ATOM 959 CG1 VAL A 69 -6.386 -4.909 3.163 1.00 71.32 C ATOM 960 CG2 VAL A 69 -7.209 -7.096 4.065 1.00 23.12 C ATOM 0 H VAL A 69 -9.155 -5.611 3.869 1.00 55.04 H new ATOM 0 HA VAL A 69 -8.136 -5.378 1.220 1.00 54.41 H new ATOM 0 HB VAL A 69 -6.258 -6.791 2.180 1.00 22.11 H new ATOM 0 HG11 VAL A 69 -5.458 -5.048 3.718 1.00 71.32 H new ATOM 0 HG12 VAL A 69 -6.181 -4.353 2.248 1.00 71.32 H new ATOM 0 HG13 VAL A 69 -7.095 -4.352 3.775 1.00 71.32 H new ATOM 0 HG21 VAL A 69 -6.271 -7.205 4.610 1.00 23.12 H new ATOM 0 HG22 VAL A 69 -7.942 -6.598 4.700 1.00 23.12 H new ATOM 0 HG23 VAL A 69 -7.582 -8.081 3.784 1.00 23.12 H new ATOM 970 N GLY A 70 -8.733 -7.505 0.098 1.00 1.30 N ATOM 971 CA GLY A 70 -9.098 -8.737 -0.575 1.00 13.20 C ATOM 972 C GLY A 70 -7.901 -9.625 -0.850 1.00 0.04 C ATOM 973 O GLY A 70 -6.769 -9.146 -0.927 1.00 63.13 O ATOM 0 H GLY A 70 -8.525 -6.723 -0.523 1.00 1.30 H new ATOM 0 HA2 GLY A 70 -9.818 -9.282 0.036 1.00 13.20 H new ATOM 0 HA3 GLY A 70 -9.594 -8.500 -1.516 1.00 13.20 H new ATOM 977 N ILE A 71 -8.149 -10.921 -0.996 1.00 45.44 N ATOM 978 CA ILE A 71 -7.082 -11.879 -1.263 1.00 61.43 C ATOM 979 C ILE A 71 -6.288 -11.484 -2.502 1.00 35.35 C ATOM 980 O ILE A 71 -5.097 -11.782 -2.610 1.00 24.24 O ATOM 981 CB ILE A 71 -7.637 -13.302 -1.455 1.00 0.11 C ATOM 982 CG1 ILE A 71 -6.621 -14.338 -0.971 1.00 70.01 C ATOM 983 CG2 ILE A 71 -7.992 -13.541 -2.915 1.00 74.11 C ATOM 984 CD1 ILE A 71 -6.578 -15.587 -1.823 1.00 54.43 C ATOM 0 H ILE A 71 -9.080 -11.333 -0.934 1.00 45.44 H new ATOM 0 HA ILE A 71 -6.424 -11.869 -0.394 1.00 61.43 H new ATOM 0 HB ILE A 71 -8.545 -13.405 -0.860 1.00 0.11 H new ATOM 0 HG12 ILE A 71 -5.630 -13.884 -0.956 1.00 70.01 H new ATOM 0 HG13 ILE A 71 -6.859 -14.616 0.056 1.00 70.01 H new ATOM 0 HG21 ILE A 71 -8.383 -14.552 -3.034 1.00 74.11 H new ATOM 0 HG22 ILE A 71 -8.748 -12.821 -3.228 1.00 74.11 H new ATOM 0 HG23 ILE A 71 -7.100 -13.422 -3.530 1.00 74.11 H new ATOM 0 HD11 ILE A 71 -5.836 -16.276 -1.421 1.00 54.43 H new ATOM 0 HD12 ILE A 71 -7.558 -16.065 -1.818 1.00 54.43 H new ATOM 0 HD13 ILE A 71 -6.310 -15.321 -2.845 1.00 54.43 H new ATOM 995 N GLN A 72 -6.952 -10.810 -3.434 1.00 54.24 N ATOM 996 CA GLN A 72 -6.307 -10.372 -4.667 1.00 31.53 C ATOM 997 C GLN A 72 -5.365 -9.202 -4.402 1.00 33.41 C ATOM 998 O GLN A 72 -4.430 -8.960 -5.167 1.00 34.21 O ATOM 999 CB GLN A 72 -7.357 -9.972 -5.704 1.00 42.41 C ATOM 1000 CG GLN A 72 -7.874 -11.141 -6.528 1.00 31.43 C ATOM 1001 CD GLN A 72 -8.943 -10.727 -7.520 1.00 43.45 C ATOM 1002 OE1 GLN A 72 -9.956 -10.134 -7.149 1.00 61.13 O ATOM 1003 NE2 GLN A 72 -8.722 -11.039 -8.791 1.00 52.44 N ATOM 0 H GLN A 72 -7.937 -10.555 -3.360 1.00 54.24 H new ATOM 0 HA GLN A 72 -5.722 -11.205 -5.057 1.00 31.53 H new ATOM 0 HB2 GLN A 72 -8.196 -9.498 -5.195 1.00 42.41 H new ATOM 0 HB3 GLN A 72 -6.928 -9.227 -6.374 1.00 42.41 H new ATOM 0 HG2 GLN A 72 -7.043 -11.598 -7.065 1.00 31.43 H new ATOM 0 HG3 GLN A 72 -8.278 -11.901 -5.860 1.00 31.43 H new ATOM 0 HE21 GLN A 72 -7.868 -11.531 -9.054 1.00 52.44 H new ATOM 0 HE22 GLN A 72 -9.406 -10.787 -9.504 1.00 52.44 H new ATOM 1010 N ASP A 73 -5.618 -8.478 -3.317 1.00 42.33 N ATOM 1011 CA ASP A 73 -4.793 -7.333 -2.952 1.00 2.40 C ATOM 1012 C ASP A 73 -3.525 -7.785 -2.232 1.00 2.40 C ATOM 1013 O ASP A 73 -2.652 -6.974 -1.926 1.00 71.20 O ATOM 1014 CB ASP A 73 -5.582 -6.370 -2.064 1.00 40.33 C ATOM 1015 CG ASP A 73 -6.118 -5.179 -2.835 1.00 42.43 C ATOM 1016 OD1 ASP A 73 -6.437 -5.343 -4.032 1.00 42.22 O ATOM 1017 OD2 ASP A 73 -6.216 -4.086 -2.244 1.00 72.42 O ATOM 0 H ASP A 73 -6.388 -8.664 -2.675 1.00 42.33 H new ATOM 0 HA ASP A 73 -4.506 -6.817 -3.868 1.00 2.40 H new ATOM 0 HB2 ASP A 73 -6.413 -6.904 -1.602 1.00 40.33 H new ATOM 0 HB3 ASP A 73 -4.941 -6.017 -1.256 1.00 40.33 H new ATOM 1021 N GLU A 74 -3.433 -9.084 -1.964 1.00 3.03 N ATOM 1022 CA GLU A 74 -2.274 -9.642 -1.278 1.00 24.02 C ATOM 1023 C GLU A 74 -0.998 -9.397 -2.079 1.00 54.03 C ATOM 1024 O GLU A 74 -0.994 -9.491 -3.305 1.00 42.02 O ATOM 1025 CB GLU A 74 -2.464 -11.142 -1.047 1.00 5.21 C ATOM 1026 CG GLU A 74 -2.233 -11.984 -2.290 1.00 63.45 C ATOM 1027 CD GLU A 74 -2.339 -13.472 -2.016 1.00 75.41 C ATOM 1028 OE1 GLU A 74 -3.443 -13.932 -1.657 1.00 5.31 O ATOM 1029 OE2 GLU A 74 -1.316 -14.174 -2.160 1.00 63.13 O ATOM 0 H GLU A 74 -4.147 -9.769 -2.212 1.00 3.03 H new ATOM 0 HA GLU A 74 -2.179 -9.143 -0.314 1.00 24.02 H new ATOM 0 HB2 GLU A 74 -1.780 -11.470 -0.264 1.00 5.21 H new ATOM 0 HB3 GLU A 74 -3.475 -11.319 -0.681 1.00 5.21 H new ATOM 0 HG2 GLU A 74 -2.961 -11.706 -3.053 1.00 63.45 H new ATOM 0 HG3 GLU A 74 -1.246 -11.763 -2.696 1.00 63.45 H new ATOM 1034 N GLY A 75 0.085 -9.080 -1.375 1.00 24.11 N ATOM 1035 CA GLY A 75 1.351 -8.826 -2.035 1.00 44.01 C ATOM 1036 C GLY A 75 2.282 -7.976 -1.195 1.00 1.35 C ATOM 1037 O GLY A 75 2.399 -8.179 0.015 1.00 64.21 O ATOM 0 H GLY A 75 0.107 -8.995 -0.359 1.00 24.11 H new ATOM 0 HA2 GLY A 75 1.836 -9.775 -2.261 1.00 44.01 H new ATOM 0 HA3 GLY A 75 1.168 -8.327 -2.986 1.00 44.01 H new ATOM 1041 N ILE A 76 2.951 -7.023 -1.835 1.00 73.05 N ATOM 1042 CA ILE A 76 3.877 -6.139 -1.138 1.00 11.23 C ATOM 1043 C ILE A 76 3.605 -4.678 -1.477 1.00 43.15 C ATOM 1044 O ILE A 76 3.402 -4.327 -2.640 1.00 15.44 O ATOM 1045 CB ILE A 76 5.341 -6.471 -1.485 1.00 42.34 C ATOM 1046 CG1 ILE A 76 5.678 -7.901 -1.057 1.00 51.15 C ATOM 1047 CG2 ILE A 76 6.282 -5.477 -0.821 1.00 11.34 C ATOM 1048 CD1 ILE A 76 7.091 -8.317 -1.398 1.00 14.41 C ATOM 0 H ILE A 76 2.869 -6.843 -2.836 1.00 73.05 H new ATOM 0 HA ILE A 76 3.720 -6.296 -0.071 1.00 11.23 H new ATOM 0 HB ILE A 76 5.469 -6.396 -2.565 1.00 42.34 H new ATOM 0 HG12 ILE A 76 5.530 -7.994 0.019 1.00 51.15 H new ATOM 0 HG13 ILE A 76 4.980 -8.589 -1.535 1.00 51.15 H new ATOM 0 HG21 ILE A 76 7.312 -5.725 -1.076 1.00 11.34 H new ATOM 0 HG22 ILE A 76 6.054 -4.470 -1.171 1.00 11.34 H new ATOM 0 HG23 ILE A 76 6.155 -5.522 0.261 1.00 11.34 H new ATOM 0 HD11 ILE A 76 7.259 -9.341 -1.065 1.00 14.41 H new ATOM 0 HD12 ILE A 76 7.238 -8.257 -2.476 1.00 14.41 H new ATOM 0 HD13 ILE A 76 7.796 -7.653 -0.898 1.00 14.41 H new ATOM 1059 N PHE A 77 3.602 -3.830 -0.455 1.00 35.41 N ATOM 1060 CA PHE A 77 3.356 -2.404 -0.645 1.00 4.01 C ATOM 1061 C PHE A 77 4.663 -1.620 -0.625 1.00 35.52 C ATOM 1062 O PHE A 77 5.468 -1.754 0.299 1.00 61.23 O ATOM 1063 CB PHE A 77 2.415 -1.880 0.442 1.00 35.11 C ATOM 1064 CG PHE A 77 1.022 -2.432 0.347 1.00 2.32 C ATOM 1065 CD1 PHE A 77 0.794 -3.796 0.452 1.00 75.42 C ATOM 1066 CD2 PHE A 77 -0.060 -1.589 0.154 1.00 43.53 C ATOM 1067 CE1 PHE A 77 -0.486 -4.307 0.367 1.00 42.55 C ATOM 1068 CE2 PHE A 77 -1.343 -2.095 0.067 1.00 72.40 C ATOM 1069 CZ PHE A 77 -1.557 -3.456 0.173 1.00 50.31 C ATOM 0 H PHE A 77 3.767 -4.104 0.514 1.00 35.41 H new ATOM 0 HA PHE A 77 2.887 -2.267 -1.619 1.00 4.01 H new ATOM 0 HB2 PHE A 77 2.829 -2.127 1.420 1.00 35.11 H new ATOM 0 HB3 PHE A 77 2.371 -0.793 0.380 1.00 35.11 H new ATOM 0 HD1 PHE A 77 1.627 -4.466 0.602 1.00 75.42 H new ATOM 0 HD2 PHE A 77 0.101 -0.524 0.071 1.00 43.53 H new ATOM 0 HE1 PHE A 77 -0.650 -5.371 0.452 1.00 42.55 H new ATOM 0 HE2 PHE A 77 -2.178 -1.427 -0.084 1.00 72.40 H new ATOM 0 HZ PHE A 77 -2.559 -3.853 0.104 1.00 50.31 H new ATOM 1078 N ARG A 78 4.870 -0.798 -1.650 1.00 4.33 N ATOM 1079 CA ARG A 78 6.080 0.008 -1.752 1.00 41.13 C ATOM 1080 C ARG A 78 5.738 1.476 -1.981 1.00 63.33 C ATOM 1081 O ARG A 78 4.978 1.814 -2.890 1.00 13.12 O ATOM 1082 CB ARG A 78 6.964 -0.504 -2.890 1.00 51.43 C ATOM 1083 CG ARG A 78 8.449 -0.497 -2.560 1.00 71.22 C ATOM 1084 CD ARG A 78 8.997 0.920 -2.493 1.00 62.21 C ATOM 1085 NE ARG A 78 8.631 1.705 -3.669 1.00 41.20 N ATOM 1086 CZ ARG A 78 9.314 1.684 -4.809 1.00 24.44 C ATOM 1087 NH1 ARG A 78 10.394 0.921 -4.924 1.00 33.43 N ATOM 1088 NH2 ARG A 78 8.919 2.426 -5.835 1.00 72.10 N ATOM 0 H ARG A 78 4.214 -0.673 -2.421 1.00 4.33 H new ATOM 0 HA ARG A 78 6.624 -0.078 -0.811 1.00 41.13 H new ATOM 0 HB2 ARG A 78 6.662 -1.520 -3.144 1.00 51.43 H new ATOM 0 HB3 ARG A 78 6.794 0.110 -3.775 1.00 51.43 H new ATOM 0 HG2 ARG A 78 8.613 -0.998 -1.606 1.00 71.22 H new ATOM 0 HG3 ARG A 78 8.994 -1.064 -3.315 1.00 71.22 H new ATOM 0 HD2 ARG A 78 8.620 1.412 -1.597 1.00 62.21 H new ATOM 0 HD3 ARG A 78 10.083 0.885 -2.404 1.00 62.21 H new ATOM 0 HE ARG A 78 7.806 2.302 -3.612 1.00 41.20 H new ATOM 0 HH11 ARG A 78 10.701 0.350 -4.137 1.00 33.43 H new ATOM 0 HH12 ARG A 78 10.917 0.906 -5.800 1.00 33.43 H new ATOM 0 HH21 ARG A 78 8.090 3.014 -5.750 1.00 72.10 H new ATOM 0 HH22 ARG A 78 9.444 2.409 -6.709 1.00 72.10 H new ATOM 1099 N CYS A 79 6.301 2.347 -1.150 1.00 55.11 N ATOM 1100 CA CYS A 79 6.055 3.780 -1.260 1.00 32.14 C ATOM 1101 C CYS A 79 7.360 4.540 -1.478 1.00 34.21 C ATOM 1102 O CYS A 79 8.420 4.118 -1.015 1.00 71.12 O ATOM 1103 CB CYS A 79 5.355 4.296 -0.001 1.00 51.53 C ATOM 1104 SG CYS A 79 5.042 6.091 -0.009 1.00 3.41 S ATOM 0 H CYS A 79 6.931 2.085 -0.392 1.00 55.11 H new ATOM 0 HA CYS A 79 5.409 3.948 -2.122 1.00 32.14 H new ATOM 0 HB2 CYS A 79 4.406 3.773 0.115 1.00 51.53 H new ATOM 0 HB3 CYS A 79 5.964 4.048 0.868 1.00 51.53 H new ATOM 1108 N GLN A 80 7.273 5.663 -2.184 1.00 53.40 N ATOM 1109 CA GLN A 80 8.447 6.481 -2.462 1.00 70.12 C ATOM 1110 C GLN A 80 8.078 7.961 -2.517 1.00 33.34 C ATOM 1111 O GLN A 80 7.174 8.359 -3.251 1.00 21.04 O ATOM 1112 CB GLN A 80 9.090 6.056 -3.785 1.00 23.31 C ATOM 1113 CG GLN A 80 10.359 6.823 -4.119 1.00 21.53 C ATOM 1114 CD GLN A 80 10.660 6.834 -5.604 1.00 1.41 C ATOM 1115 OE1 GLN A 80 9.852 7.299 -6.410 1.00 14.24 O ATOM 1116 NE2 GLN A 80 11.826 6.320 -5.975 1.00 74.25 N ATOM 0 H GLN A 80 6.403 6.026 -2.573 1.00 53.40 H new ATOM 0 HA GLN A 80 9.162 6.332 -1.653 1.00 70.12 H new ATOM 0 HB2 GLN A 80 9.320 4.991 -3.742 1.00 23.31 H new ATOM 0 HB3 GLN A 80 8.369 6.194 -4.591 1.00 23.31 H new ATOM 0 HG2 GLN A 80 10.263 7.849 -3.764 1.00 21.53 H new ATOM 0 HG3 GLN A 80 11.199 6.378 -3.585 1.00 21.53 H new ATOM 0 HE21 GLN A 80 12.465 5.946 -5.273 1.00 74.25 H new ATOM 0 HE22 GLN A 80 12.083 6.299 -6.962 1.00 74.25 H new ATOM 1123 N ALA A 81 8.785 8.771 -1.735 1.00 10.34 N ATOM 1124 CA ALA A 81 8.533 10.205 -1.694 1.00 51.24 C ATOM 1125 C ALA A 81 9.830 10.995 -1.840 1.00 43.22 C ATOM 1126 O ALA A 81 10.921 10.450 -1.676 1.00 24.52 O ATOM 1127 CB ALA A 81 7.827 10.581 -0.400 1.00 55.03 C ATOM 0 H ALA A 81 9.537 8.457 -1.121 1.00 10.34 H new ATOM 0 HA ALA A 81 7.887 10.459 -2.534 1.00 51.24 H new ATOM 0 HB1 ALA A 81 7.645 11.656 -0.384 1.00 55.03 H new ATOM 0 HB2 ALA A 81 6.876 10.051 -0.337 1.00 55.03 H new ATOM 0 HB3 ALA A 81 8.453 10.306 0.449 1.00 55.03 H new ATOM 1133 N MET A 82 9.703 12.281 -2.151 1.00 52.45 N ATOM 1134 CA MET A 82 10.865 13.144 -2.320 1.00 35.15 C ATOM 1135 C MET A 82 10.713 14.426 -1.507 1.00 22.34 C ATOM 1136 O MET A 82 9.719 15.139 -1.636 1.00 4.14 O ATOM 1137 CB MET A 82 11.066 13.485 -3.797 1.00 60.42 C ATOM 1138 CG MET A 82 11.447 12.286 -4.650 1.00 74.41 C ATOM 1139 SD MET A 82 12.571 12.719 -5.993 1.00 72.43 S ATOM 1140 CE MET A 82 14.058 13.112 -5.075 1.00 1.21 C ATOM 0 H MET A 82 8.807 12.748 -2.291 1.00 52.45 H new ATOM 0 HA MET A 82 11.740 12.605 -1.957 1.00 35.15 H new ATOM 0 HB2 MET A 82 10.148 13.922 -4.189 1.00 60.42 H new ATOM 0 HB3 MET A 82 11.843 14.244 -3.884 1.00 60.42 H new ATOM 0 HG2 MET A 82 11.915 11.530 -4.019 1.00 74.41 H new ATOM 0 HG3 MET A 82 10.544 11.840 -5.067 1.00 74.41 H new ATOM 0 HE1 MET A 82 14.355 14.140 -5.286 1.00 1.21 H new ATOM 0 HE2 MET A 82 13.867 13.001 -4.008 1.00 1.21 H new ATOM 0 HE3 MET A 82 14.859 12.435 -5.372 1.00 1.21 H new ATOM 1148 N ASN A 83 11.704 14.711 -0.668 1.00 51.13 N ATOM 1149 CA ASN A 83 11.677 15.906 0.167 1.00 15.22 C ATOM 1150 C ASN A 83 12.242 17.107 -0.586 1.00 21.43 C ATOM 1151 O ASN A 83 12.779 16.969 -1.684 1.00 44.11 O ATOM 1152 CB ASN A 83 12.477 15.674 1.451 1.00 74.52 C ATOM 1153 CG ASN A 83 11.644 15.025 2.540 1.00 23.20 C ATOM 1154 OD1 ASN A 83 11.256 15.674 3.511 1.00 72.52 O ATOM 1155 ND2 ASN A 83 11.366 13.736 2.383 1.00 53.43 N ATOM 0 H ASN A 83 12.535 14.131 -0.549 1.00 51.13 H new ATOM 0 HA ASN A 83 10.639 16.116 0.426 1.00 15.22 H new ATOM 0 HB2 ASN A 83 13.338 15.043 1.231 1.00 74.52 H new ATOM 0 HB3 ASN A 83 12.864 16.627 1.812 1.00 74.52 H new ATOM 0 HD21 ASN A 83 10.810 13.245 3.083 1.00 53.43 H new ATOM 0 HD22 ASN A 83 11.708 13.237 1.562 1.00 53.43 H new ATOM 1161 N ARG A 84 12.118 18.287 0.014 1.00 24.43 N ATOM 1162 CA ARG A 84 12.614 19.513 -0.599 1.00 62.33 C ATOM 1163 C ARG A 84 14.139 19.554 -0.574 1.00 5.04 C ATOM 1164 O ARG A 84 14.761 20.318 -1.311 1.00 11.34 O ATOM 1165 CB ARG A 84 12.048 20.736 0.126 1.00 15.01 C ATOM 1166 CG ARG A 84 12.244 22.038 -0.635 1.00 32.12 C ATOM 1167 CD ARG A 84 12.426 23.214 0.313 1.00 60.22 C ATOM 1168 NE ARG A 84 12.366 24.495 -0.386 1.00 62.12 N ATOM 1169 CZ ARG A 84 13.392 25.022 -1.044 1.00 42.50 C ATOM 1170 NH1 ARG A 84 14.552 24.380 -1.092 1.00 30.01 N ATOM 1171 NH2 ARG A 84 13.260 26.191 -1.655 1.00 34.41 N ATOM 0 H ARG A 84 11.678 18.419 0.925 1.00 24.43 H new ATOM 0 HA ARG A 84 12.284 19.530 -1.638 1.00 62.33 H new ATOM 0 HB2 ARG A 84 10.983 20.584 0.301 1.00 15.01 H new ATOM 0 HB3 ARG A 84 12.523 20.821 1.103 1.00 15.01 H new ATOM 0 HG2 ARG A 84 13.116 21.954 -1.284 1.00 32.12 H new ATOM 0 HG3 ARG A 84 11.383 22.218 -1.279 1.00 32.12 H new ATOM 0 HD2 ARG A 84 11.653 23.184 1.081 1.00 60.22 H new ATOM 0 HD3 ARG A 84 13.385 23.124 0.823 1.00 60.22 H new ATOM 0 HE ARG A 84 11.488 25.013 -0.368 1.00 62.12 H new ATOM 0 HH11 ARG A 84 14.657 23.480 -0.623 1.00 30.01 H new ATOM 0 HH12 ARG A 84 15.339 24.786 -1.598 1.00 30.01 H new ATOM 0 HH21 ARG A 84 12.369 26.687 -1.620 1.00 34.41 H new ATOM 0 HH22 ARG A 84 14.049 26.594 -2.160 1.00 34.41 H new ATOM 1182 N ASN A 85 14.734 18.728 0.280 1.00 23.44 N ATOM 1183 CA ASN A 85 16.187 18.670 0.402 1.00 63.23 C ATOM 1184 C ASN A 85 16.809 17.998 -0.818 1.00 65.43 C ATOM 1185 O ASN A 85 17.997 18.160 -1.090 1.00 53.02 O ATOM 1186 CB ASN A 85 16.583 17.916 1.672 1.00 73.13 C ATOM 1187 CG ASN A 85 16.059 18.583 2.929 1.00 72.01 C ATOM 1188 OD1 ASN A 85 15.221 18.026 3.638 1.00 10.03 O ATOM 1189 ND2 ASN A 85 16.550 19.785 3.209 1.00 30.10 N ATOM 0 H ASN A 85 14.233 18.089 0.898 1.00 23.44 H new ATOM 0 HA ASN A 85 16.563 19.691 0.462 1.00 63.23 H new ATOM 0 HB2 ASN A 85 16.202 16.896 1.619 1.00 73.13 H new ATOM 0 HB3 ASN A 85 17.669 17.848 1.726 1.00 73.13 H new ATOM 0 HD21 ASN A 85 16.234 20.284 4.040 1.00 30.10 H new ATOM 0 HD22 ASN A 85 17.244 20.209 2.593 1.00 30.10 H new ATOM 1195 N GLY A 86 15.995 17.242 -1.550 1.00 30.15 N ATOM 1196 CA GLY A 86 16.483 16.556 -2.732 1.00 41.11 C ATOM 1197 C GLY A 86 16.559 15.054 -2.542 1.00 62.30 C ATOM 1198 O GLY A 86 16.619 14.300 -3.512 1.00 41.41 O ATOM 0 H GLY A 86 15.007 17.093 -1.345 1.00 30.15 H new ATOM 0 HA2 GLY A 86 15.828 16.780 -3.574 1.00 41.11 H new ATOM 0 HA3 GLY A 86 17.472 16.937 -2.987 1.00 41.11 H new ATOM 1202 N LYS A 87 16.557 14.617 -1.287 1.00 14.33 N ATOM 1203 CA LYS A 87 16.627 13.196 -0.970 1.00 42.32 C ATOM 1204 C LYS A 87 15.238 12.565 -0.997 1.00 41.44 C ATOM 1205 O LYS A 87 14.251 13.200 -0.631 1.00 2.50 O ATOM 1206 CB LYS A 87 17.265 12.989 0.405 1.00 4.54 C ATOM 1207 CG LYS A 87 18.784 13.023 0.382 1.00 2.10 C ATOM 1208 CD LYS A 87 19.312 14.439 0.530 1.00 12.13 C ATOM 1209 CE LYS A 87 20.682 14.593 -0.113 1.00 44.33 C ATOM 1210 NZ LYS A 87 21.772 14.116 0.782 1.00 25.32 N ATOM 0 H LYS A 87 16.508 15.228 -0.472 1.00 14.33 H new ATOM 0 HA LYS A 87 17.244 12.710 -1.726 1.00 42.32 H new ATOM 0 HB2 LYS A 87 16.903 13.761 1.084 1.00 4.54 H new ATOM 0 HB3 LYS A 87 16.937 12.031 0.808 1.00 4.54 H new ATOM 0 HG2 LYS A 87 19.175 12.402 1.188 1.00 2.10 H new ATOM 0 HG3 LYS A 87 19.144 12.595 -0.554 1.00 2.10 H new ATOM 0 HD2 LYS A 87 18.613 15.139 0.072 1.00 12.13 H new ATOM 0 HD3 LYS A 87 19.374 14.697 1.587 1.00 12.13 H new ATOM 0 HE2 LYS A 87 20.709 14.034 -1.048 1.00 44.33 H new ATOM 0 HE3 LYS A 87 20.850 15.641 -0.363 1.00 44.33 H new ATOM 0 HZ1 LYS A 87 22.689 14.238 0.307 1.00 25.32 H new ATOM 0 HZ2 LYS A 87 21.763 14.667 1.664 1.00 25.32 H new ATOM 0 HZ3 LYS A 87 21.626 13.110 1.001 1.00 25.32 H new ATOM 1220 N GLU A 88 15.172 11.311 -1.434 1.00 43.40 N ATOM 1221 CA GLU A 88 13.904 10.593 -1.508 1.00 1.15 C ATOM 1222 C GLU A 88 13.811 9.539 -0.410 1.00 30.45 C ATOM 1223 O GLU A 88 14.809 8.921 -0.037 1.00 54.50 O ATOM 1224 CB GLU A 88 13.745 9.933 -2.879 1.00 41.41 C ATOM 1225 CG GLU A 88 14.409 8.569 -2.978 1.00 63.23 C ATOM 1226 CD GLU A 88 15.895 8.620 -2.687 1.00 13.10 C ATOM 1227 OE1 GLU A 88 16.568 9.542 -3.193 1.00 75.44 O ATOM 1228 OE2 GLU A 88 16.386 7.737 -1.953 1.00 31.35 O ATOM 0 H GLU A 88 15.981 10.771 -1.742 1.00 43.40 H new ATOM 0 HA GLU A 88 13.099 11.314 -1.365 1.00 1.15 H new ATOM 0 HB2 GLU A 88 12.683 9.828 -3.102 1.00 41.41 H new ATOM 0 HB3 GLU A 88 14.167 10.589 -3.640 1.00 41.41 H new ATOM 0 HG2 GLU A 88 13.929 7.884 -2.279 1.00 63.23 H new ATOM 0 HG3 GLU A 88 14.252 8.165 -3.978 1.00 63.23 H new ATOM 1233 N THR A 89 12.604 9.337 0.109 1.00 63.34 N ATOM 1234 CA THR A 89 12.378 8.360 1.165 1.00 41.33 C ATOM 1235 C THR A 89 11.757 7.083 0.610 1.00 1.35 C ATOM 1236 O THR A 89 10.781 7.129 -0.140 1.00 70.30 O ATOM 1237 CB THR A 89 11.461 8.924 2.267 1.00 2.14 C ATOM 1238 OG1 THR A 89 11.236 10.321 2.048 1.00 61.43 O ATOM 1239 CG2 THR A 89 12.077 8.715 3.643 1.00 53.41 C ATOM 0 H THR A 89 11.767 9.839 -0.186 1.00 63.34 H new ATOM 0 HA THR A 89 13.353 8.131 1.595 1.00 41.33 H new ATOM 0 HB THR A 89 10.511 8.392 2.227 1.00 2.14 H new ATOM 0 HG1 THR A 89 11.734 10.841 2.713 1.00 61.43 H new ATOM 0 HG21 THR A 89 11.412 9.121 4.405 1.00 53.41 H new ATOM 0 HG22 THR A 89 12.222 7.649 3.819 1.00 53.41 H new ATOM 0 HG23 THR A 89 13.039 9.225 3.692 1.00 53.41 H new ATOM 1247 N LYS A 90 12.329 5.942 0.982 1.00 62.32 N ATOM 1248 CA LYS A 90 11.830 4.651 0.523 1.00 13.41 C ATOM 1249 C LYS A 90 11.078 3.930 1.637 1.00 33.31 C ATOM 1250 O LYS A 90 11.431 4.043 2.810 1.00 3.43 O ATOM 1251 CB LYS A 90 12.989 3.781 0.030 1.00 51.14 C ATOM 1252 CG LYS A 90 13.871 3.252 1.149 1.00 43.13 C ATOM 1253 CD LYS A 90 14.089 1.754 1.026 1.00 43.15 C ATOM 1254 CE LYS A 90 12.778 0.990 1.132 1.00 43.11 C ATOM 1255 NZ LYS A 90 12.168 1.120 2.485 1.00 53.15 N ATOM 0 H LYS A 90 13.138 5.886 1.600 1.00 62.32 H new ATOM 0 HA LYS A 90 11.139 4.828 -0.301 1.00 13.41 H new ATOM 0 HB2 LYS A 90 12.586 2.939 -0.533 1.00 51.14 H new ATOM 0 HB3 LYS A 90 13.601 4.362 -0.660 1.00 51.14 H new ATOM 0 HG2 LYS A 90 14.833 3.764 1.128 1.00 43.13 H new ATOM 0 HG3 LYS A 90 13.412 3.476 2.112 1.00 43.13 H new ATOM 0 HD2 LYS A 90 14.565 1.532 0.071 1.00 43.15 H new ATOM 0 HD3 LYS A 90 14.771 1.419 1.808 1.00 43.15 H new ATOM 0 HE2 LYS A 90 12.080 1.361 0.382 1.00 43.11 H new ATOM 0 HE3 LYS A 90 12.953 -0.063 0.912 1.00 43.11 H new ATOM 0 HZ1 LYS A 90 11.252 0.628 2.502 1.00 53.15 H new ATOM 0 HZ2 LYS A 90 12.801 0.697 3.193 1.00 53.15 H new ATOM 0 HZ3 LYS A 90 12.024 2.126 2.706 1.00 53.15 H new ATOM 1265 N SER A 91 10.040 3.190 1.261 1.00 20.11 N ATOM 1266 CA SER A 91 9.236 2.454 2.229 1.00 12.34 C ATOM 1267 C SER A 91 8.733 1.143 1.631 1.00 23.25 C ATOM 1268 O SER A 91 8.077 1.134 0.591 1.00 3.41 O ATOM 1269 CB SER A 91 8.052 3.304 2.693 1.00 62.21 C ATOM 1270 OG SER A 91 8.442 4.208 3.712 1.00 44.12 O ATOM 0 H SER A 91 9.736 3.084 0.293 1.00 20.11 H new ATOM 0 HA SER A 91 9.866 2.224 3.088 1.00 12.34 H new ATOM 0 HB2 SER A 91 7.644 3.858 1.847 1.00 62.21 H new ATOM 0 HB3 SER A 91 7.257 2.656 3.062 1.00 62.21 H new ATOM 0 HG SER A 91 9.412 4.341 3.677 1.00 44.12 H new ATOM 1275 N ASN A 92 9.044 0.037 2.300 1.00 54.20 N ATOM 1276 CA ASN A 92 8.625 -1.280 1.836 1.00 2.12 C ATOM 1277 C ASN A 92 7.927 -2.053 2.950 1.00 64.22 C ATOM 1278 O ASN A 92 8.509 -2.306 4.006 1.00 62.13 O ATOM 1279 CB ASN A 92 9.832 -2.074 1.330 1.00 63.34 C ATOM 1280 CG ASN A 92 9.466 -3.033 0.213 1.00 54.00 C ATOM 1281 OD1 ASN A 92 8.777 -4.113 0.562 1.00 55.33 O flip ATOM 1282 ND2 ASN A 92 9.798 -2.805 -0.949 1.00 1.44 N flip ATOM 0 H ASN A 92 9.585 0.027 3.165 1.00 54.20 H new ATOM 0 HA ASN A 92 7.920 -1.141 1.017 1.00 2.12 H new ATOM 0 HB2 ASN A 92 10.596 -1.382 0.975 1.00 63.34 H new ATOM 0 HB3 ASN A 92 10.268 -2.634 2.157 1.00 63.34 H new ATOM 0 HD21 ASN A 92 10.327 -1.962 -1.172 1.00 1.44 H new ATOM 0 HD22 ASN A 92 9.544 -3.459 -1.690 1.00 1.44 H new ATOM 1288 N TYR A 93 6.674 -2.425 2.709 1.00 1.10 N ATOM 1289 CA TYR A 93 5.895 -3.168 3.692 1.00 74.32 C ATOM 1290 C TYR A 93 5.238 -4.390 3.058 1.00 30.24 C ATOM 1291 O TYR A 93 4.559 -4.285 2.037 1.00 31.11 O ATOM 1292 CB TYR A 93 4.825 -2.266 4.313 1.00 15.54 C ATOM 1293 CG TYR A 93 5.328 -1.443 5.477 1.00 74.10 C ATOM 1294 CD1 TYR A 93 6.213 -0.389 5.278 1.00 14.34 C ATOM 1295 CD2 TYR A 93 4.918 -1.716 6.776 1.00 22.10 C ATOM 1296 CE1 TYR A 93 6.676 0.365 6.339 1.00 62.32 C ATOM 1297 CE2 TYR A 93 5.374 -0.968 7.842 1.00 61.43 C ATOM 1298 CZ TYR A 93 6.253 0.072 7.619 1.00 31.04 C ATOM 1299 OH TYR A 93 6.711 0.821 8.678 1.00 22.31 O ATOM 0 H TYR A 93 6.177 -2.224 1.841 1.00 1.10 H new ATOM 0 HA TYR A 93 6.575 -3.508 4.473 1.00 74.32 H new ATOM 0 HB2 TYR A 93 4.437 -1.596 3.546 1.00 15.54 H new ATOM 0 HB3 TYR A 93 3.992 -2.883 4.649 1.00 15.54 H new ATOM 0 HD1 TYR A 93 6.544 -0.156 4.277 1.00 14.34 H new ATOM 0 HD2 TYR A 93 4.230 -2.529 6.955 1.00 22.10 H new ATOM 0 HE1 TYR A 93 7.365 1.179 6.167 1.00 62.32 H new ATOM 0 HE2 TYR A 93 5.045 -1.195 8.845 1.00 61.43 H new ATOM 0 HH TYR A 93 6.889 0.233 9.442 1.00 22.31 H new ATOM 1308 N ARG A 94 5.447 -5.550 3.671 1.00 61.12 N ATOM 1309 CA ARG A 94 4.878 -6.795 3.168 1.00 35.23 C ATOM 1310 C ARG A 94 3.478 -7.018 3.731 1.00 51.13 C ATOM 1311 O ARG A 94 3.236 -6.817 4.920 1.00 2.25 O ATOM 1312 CB ARG A 94 5.780 -7.976 3.528 1.00 4.13 C ATOM 1313 CG ARG A 94 7.264 -7.660 3.437 1.00 4.21 C ATOM 1314 CD ARG A 94 7.718 -7.536 1.991 1.00 33.31 C ATOM 1315 NE ARG A 94 8.368 -8.754 1.514 1.00 20.45 N ATOM 1316 CZ ARG A 94 9.530 -9.198 1.982 1.00 24.52 C ATOM 1317 NH1 ARG A 94 10.165 -8.529 2.933 1.00 20.10 N ATOM 1318 NH2 ARG A 94 10.057 -10.316 1.497 1.00 3.21 N ATOM 0 H ARG A 94 6.007 -5.654 4.517 1.00 61.12 H new ATOM 0 HA ARG A 94 4.807 -6.721 2.083 1.00 35.23 H new ATOM 0 HB2 ARG A 94 5.548 -8.303 4.542 1.00 4.13 H new ATOM 0 HB3 ARG A 94 5.554 -8.810 2.864 1.00 4.13 H new ATOM 0 HG2 ARG A 94 7.473 -6.730 3.966 1.00 4.21 H new ATOM 0 HG3 ARG A 94 7.836 -8.444 3.933 1.00 4.21 H new ATOM 0 HD2 ARG A 94 6.858 -7.313 1.359 1.00 33.31 H new ATOM 0 HD3 ARG A 94 8.408 -6.697 1.898 1.00 33.31 H new ATOM 0 HE ARG A 94 7.905 -9.293 0.782 1.00 20.45 H new ATOM 0 HH11 ARG A 94 9.762 -7.670 3.308 1.00 20.10 H new ATOM 0 HH12 ARG A 94 11.057 -8.873 3.290 1.00 20.10 H new ATOM 0 HH21 ARG A 94 9.570 -10.834 0.765 1.00 3.21 H new ATOM 0 HH22 ARG A 94 10.949 -10.657 1.856 1.00 3.21 H new ATOM 1329 N VAL A 95 2.558 -7.435 2.867 1.00 43.54 N ATOM 1330 CA VAL A 95 1.182 -7.687 3.277 1.00 3.22 C ATOM 1331 C VAL A 95 0.737 -9.090 2.877 1.00 62.32 C ATOM 1332 O VAL A 95 0.937 -9.514 1.738 1.00 63.24 O ATOM 1333 CB VAL A 95 0.215 -6.659 2.661 1.00 61.22 C ATOM 1334 CG1 VAL A 95 -1.229 -7.083 2.884 1.00 33.14 C ATOM 1335 CG2 VAL A 95 0.469 -5.276 3.241 1.00 23.54 C ATOM 0 H VAL A 95 2.741 -7.605 1.878 1.00 43.54 H new ATOM 0 HA VAL A 95 1.154 -7.596 4.363 1.00 3.22 H new ATOM 0 HB VAL A 95 0.394 -6.616 1.587 1.00 61.22 H new ATOM 0 HG11 VAL A 95 -1.898 -6.344 2.442 1.00 33.14 H new ATOM 0 HG12 VAL A 95 -1.400 -8.053 2.417 1.00 33.14 H new ATOM 0 HG13 VAL A 95 -1.426 -7.156 3.954 1.00 33.14 H new ATOM 0 HG21 VAL A 95 -0.223 -4.562 2.795 1.00 23.54 H new ATOM 0 HG22 VAL A 95 0.319 -5.301 4.320 1.00 23.54 H new ATOM 0 HG23 VAL A 95 1.493 -4.973 3.024 1.00 23.54 H new ATOM 1345 N ARG A 96 0.132 -9.805 3.819 1.00 62.12 N ATOM 1346 CA ARG A 96 -0.342 -11.160 3.565 1.00 31.12 C ATOM 1347 C ARG A 96 -1.781 -11.330 4.037 1.00 23.32 C ATOM 1348 O ARG A 96 -2.117 -11.004 5.176 1.00 34.15 O ATOM 1349 CB ARG A 96 0.561 -12.177 4.266 1.00 42.23 C ATOM 1350 CG ARG A 96 1.133 -13.230 3.331 1.00 40.12 C ATOM 1351 CD ARG A 96 0.067 -14.225 2.894 1.00 74.11 C ATOM 1352 NE ARG A 96 0.307 -14.721 1.541 1.00 42.24 N ATOM 1353 CZ ARG A 96 1.325 -15.509 1.217 1.00 34.53 C ATOM 1354 NH1 ARG A 96 2.195 -15.887 2.142 1.00 1.14 N ATOM 1355 NH2 ARG A 96 1.475 -15.920 -0.037 1.00 1.21 N ATOM 0 H ARG A 96 -0.042 -9.468 4.766 1.00 62.12 H new ATOM 0 HA ARG A 96 -0.309 -11.335 2.490 1.00 31.12 H new ATOM 0 HB2 ARG A 96 1.382 -11.648 4.750 1.00 42.23 H new ATOM 0 HB3 ARG A 96 -0.007 -12.672 5.053 1.00 42.23 H new ATOM 0 HG2 ARG A 96 1.561 -12.745 2.454 1.00 40.12 H new ATOM 0 HG3 ARG A 96 1.944 -13.760 3.830 1.00 40.12 H new ATOM 0 HD2 ARG A 96 0.046 -15.064 3.590 1.00 74.11 H new ATOM 0 HD3 ARG A 96 -0.913 -13.750 2.938 1.00 74.11 H new ATOM 0 HE ARG A 96 -0.343 -14.447 0.805 1.00 42.24 H new ATOM 0 HH11 ARG A 96 2.083 -15.573 3.106 1.00 1.14 H new ATOM 0 HH12 ARG A 96 2.976 -16.493 1.890 1.00 1.14 H new ATOM 0 HH21 ARG A 96 0.808 -15.630 -0.752 1.00 1.21 H new ATOM 0 HH22 ARG A 96 2.257 -16.525 -0.285 1.00 1.21 H new ATOM 1366 N VAL A 97 -2.632 -11.844 3.154 1.00 32.43 N ATOM 1367 CA VAL A 97 -4.037 -12.058 3.480 1.00 24.34 C ATOM 1368 C VAL A 97 -4.270 -13.472 4.001 1.00 23.13 C ATOM 1369 O VAL A 97 -3.329 -14.247 4.166 1.00 32.35 O ATOM 1370 CB VAL A 97 -4.941 -11.818 2.258 1.00 53.55 C ATOM 1371 CG1 VAL A 97 -4.624 -10.477 1.615 1.00 51.52 C ATOM 1372 CG2 VAL A 97 -4.788 -12.950 1.252 1.00 62.14 C ATOM 0 H VAL A 97 -2.372 -12.120 2.207 1.00 32.43 H new ATOM 0 HA VAL A 97 -4.294 -11.339 4.258 1.00 24.34 H new ATOM 0 HB VAL A 97 -5.978 -11.797 2.593 1.00 53.55 H new ATOM 0 HG11 VAL A 97 -5.273 -10.325 0.753 1.00 51.52 H new ATOM 0 HG12 VAL A 97 -4.788 -9.679 2.339 1.00 51.52 H new ATOM 0 HG13 VAL A 97 -3.583 -10.465 1.292 1.00 51.52 H new ATOM 0 HG21 VAL A 97 -5.434 -12.764 0.394 1.00 62.14 H new ATOM 0 HG22 VAL A 97 -3.751 -13.004 0.920 1.00 62.14 H new ATOM 0 HG23 VAL A 97 -5.069 -13.893 1.720 1.00 62.14 H new ATOM 1382 N TYR A 98 -5.532 -13.801 4.258 1.00 62.00 N ATOM 1383 CA TYR A 98 -5.889 -15.122 4.762 1.00 72.11 C ATOM 1384 C TYR A 98 -5.612 -16.198 3.716 1.00 64.55 C ATOM 1385 O TYR A 98 -4.586 -16.875 3.765 1.00 61.33 O ATOM 1386 CB TYR A 98 -7.365 -15.154 5.165 1.00 43.34 C ATOM 1387 CG TYR A 98 -7.861 -16.534 5.532 1.00 42.24 C ATOM 1388 CD1 TYR A 98 -7.145 -17.342 6.405 1.00 3.35 C ATOM 1389 CD2 TYR A 98 -9.050 -17.029 5.006 1.00 10.34 C ATOM 1390 CE1 TYR A 98 -7.595 -18.605 6.742 1.00 61.40 C ATOM 1391 CE2 TYR A 98 -9.508 -18.289 5.340 1.00 41.41 C ATOM 1392 CZ TYR A 98 -8.777 -19.074 6.208 1.00 32.53 C ATOM 1393 OH TYR A 98 -9.230 -20.329 6.542 1.00 33.31 O ATOM 0 H TYR A 98 -6.324 -13.172 4.126 1.00 62.00 H new ATOM 0 HA TYR A 98 -5.275 -15.327 5.639 1.00 72.11 H new ATOM 0 HB2 TYR A 98 -7.517 -14.485 6.012 1.00 43.34 H new ATOM 0 HB3 TYR A 98 -7.966 -14.768 4.342 1.00 43.34 H new ATOM 0 HD1 TYR A 98 -6.221 -16.978 6.828 1.00 3.35 H new ATOM 0 HD2 TYR A 98 -9.625 -16.418 4.325 1.00 10.34 H new ATOM 0 HE1 TYR A 98 -7.024 -19.221 7.420 1.00 61.40 H new ATOM 0 HE2 TYR A 98 -10.434 -18.658 4.924 1.00 41.41 H new ATOM 0 HH TYR A 98 -10.077 -20.505 6.081 1.00 33.31 H new ATOM 1402 N GLN A 99 -6.535 -16.347 2.772 1.00 71.25 N ATOM 1403 CA GLN A 99 -6.391 -17.341 1.714 1.00 31.12 C ATOM 1404 C GLN A 99 -5.142 -17.069 0.881 1.00 42.21 C ATOM 1405 O GLN A 99 -4.797 -15.917 0.617 1.00 1.32 O ATOM 1406 CB GLN A 99 -7.628 -17.341 0.815 1.00 12.11 C ATOM 1407 CG GLN A 99 -7.571 -18.378 -0.296 1.00 14.20 C ATOM 1408 CD GLN A 99 -7.409 -19.790 0.230 1.00 61.21 C ATOM 1409 OE1 GLN A 99 -8.171 -20.128 1.264 1.00 22.02 O flip ATOM 1410 NE2 GLN A 99 -6.611 -20.571 -0.288 1.00 34.43 N flip ATOM 0 H GLN A 99 -7.390 -15.793 2.718 1.00 71.25 H new ATOM 0 HA GLN A 99 -6.289 -18.321 2.180 1.00 31.12 H new ATOM 0 HB2 GLN A 99 -8.512 -17.524 1.426 1.00 12.11 H new ATOM 0 HB3 GLN A 99 -7.746 -16.352 0.372 1.00 12.11 H new ATOM 0 HG2 GLN A 99 -8.483 -18.318 -0.890 1.00 14.20 H new ATOM 0 HG3 GLN A 99 -6.740 -18.145 -0.962 1.00 14.20 H new ATOM 0 HE21 GLN A 99 -6.045 -20.270 -1.081 1.00 34.43 H new ATOM 0 HE22 GLN A 99 -6.516 -21.519 0.076 1.00 34.43 H new ATOM 1417 N ILE A 100 -4.469 -18.139 0.469 1.00 71.11 N ATOM 1418 CA ILE A 100 -3.259 -18.017 -0.335 1.00 72.51 C ATOM 1419 C ILE A 100 -3.407 -18.746 -1.666 1.00 42.51 C ATOM 1420 O ILE A 100 -4.251 -19.629 -1.827 1.00 72.03 O ATOM 1421 CB ILE A 100 -2.030 -18.571 0.408 1.00 64.00 C ATOM 1422 CG1 ILE A 100 -2.467 -19.543 1.506 1.00 23.24 C ATOM 1423 CG2 ILE A 100 -1.208 -17.434 0.995 1.00 3.31 C ATOM 1424 CD1 ILE A 100 -1.311 -20.190 2.236 1.00 44.43 C ATOM 0 H ILE A 100 -4.741 -19.099 0.679 1.00 71.11 H new ATOM 0 HA ILE A 100 -3.111 -16.953 -0.521 1.00 72.51 H new ATOM 0 HB ILE A 100 -1.407 -19.112 -0.304 1.00 64.00 H new ATOM 0 HG12 ILE A 100 -3.088 -19.010 2.226 1.00 23.24 H new ATOM 0 HG13 ILE A 100 -3.089 -20.322 1.064 1.00 23.24 H new ATOM 0 HG21 ILE A 100 -0.343 -17.842 1.517 1.00 3.31 H new ATOM 0 HG22 ILE A 100 -0.871 -16.777 0.193 1.00 3.31 H new ATOM 0 HG23 ILE A 100 -1.820 -16.867 1.696 1.00 3.31 H new ATOM 0 HD11 ILE A 100 -1.696 -20.866 3.000 1.00 44.43 H new ATOM 0 HD12 ILE A 100 -0.702 -20.752 1.528 1.00 44.43 H new ATOM 0 HD13 ILE A 100 -0.701 -19.419 2.707 1.00 44.43 H new ATOM 1435 N PRO A 101 -2.567 -18.374 -2.641 1.00 55.43 N ATOM 1436 CA PRO A 101 -2.581 -18.983 -3.976 1.00 22.30 C ATOM 1437 C PRO A 101 -2.082 -20.424 -3.961 1.00 31.01 C ATOM 1438 O PRO A 101 -1.813 -20.986 -2.901 1.00 1.41 O ATOM 1439 CB PRO A 101 -1.631 -18.095 -4.782 1.00 50.31 C ATOM 1440 CG PRO A 101 -0.714 -17.502 -3.767 1.00 62.02 C ATOM 1441 CD PRO A 101 -1.534 -17.330 -2.520 1.00 5.12 C ATOM 0 HA PRO A 101 -3.588 -19.036 -4.389 1.00 22.30 H new ATOM 0 HB2 PRO A 101 -1.080 -18.675 -5.523 1.00 50.31 H new ATOM 0 HB3 PRO A 101 -2.176 -17.321 -5.323 1.00 50.31 H new ATOM 0 HG2 PRO A 101 0.141 -18.153 -3.585 1.00 62.02 H new ATOM 0 HG3 PRO A 101 -0.319 -16.546 -4.109 1.00 62.02 H new ATOM 0 HD2 PRO A 101 -0.931 -17.464 -1.622 1.00 5.12 H new ATOM 0 HD3 PRO A 101 -1.974 -16.334 -2.463 1.00 5.12 H new