USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 846 hydrogens (14 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 83 ASN : amide:sc= -0.0578 X(o=-0.058,f=-0.053) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 61 ASN : amide:sc= -1.33 K(o=-1.4,f=-3.8!) USER MOD Set 2.2: A 63 SER OG : rot -170:sc= -0.0402 USER MOD Set 3.1: A 32 LYS NZ :NH3+ -122:sc= -0.133 (180deg=-0.783) USER MOD Set 3.2: A 80 GLN : amide:sc= -1.97 X(o=-2.1,f=-2.5) USER MOD Set 4.1: A 4 GLN : amide:sc= -1.16 K(o=-0.71,f=-4.1) USER MOD Set 4.2: A 19 LYS NZ :NH3+ 176:sc= 0.0546 (180deg=-0.607) USER MOD Set 4.3: A 93 TYR OH : rot -131:sc= 0.397 USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0873 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.229 USER MOD Single : A 5 ASN : amide:sc= -0.976 X(o=-0.98,f=-0.65) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0091 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0711) USER MOD Single : A 24 LYS NZ :NH3+ 136:sc= -0.305 (180deg=-3.07!) USER MOD Single : A 27 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.13) USER MOD Single : A 34 ASN : amide:sc= -1.2 X(o=-1.2,f=-1) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= -2.5 (180deg=-3.92!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 72 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 82 MET CE :methyl 141:sc= -0.534 (180deg=-3.69!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 136:sc= 0.673 (180deg=-0.228) USER MOD Single : A 91 SER OG : rot 105:sc= -0.633 USER MOD Single : A 92 ASN : amide:sc= -4.11 K(o=-4.1,f=-9.3!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.35 K(o=-1.4,f=-0.74) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.681 1.908 -1.394 1.00 71.20 N ATOM 2 CA GLY A 1 4.185 0.596 -1.766 1.00 25.43 C ATOM 3 C GLY A 1 4.993 -0.526 -1.143 1.00 0.22 C ATOM 4 O GLY A 1 6.016 -0.282 -0.503 1.00 50.12 O ATOM 0 H1 GLY A 1 4.062 2.320 -0.667 1.00 71.20 H new ATOM 0 H2 GLY A 1 5.646 1.820 -1.017 1.00 71.20 H new ATOM 0 H3 GLY A 1 4.691 2.525 -2.231 1.00 71.20 H new ATOM 0 HA2 GLY A 1 3.143 0.504 -1.459 1.00 25.43 H new ATOM 0 HA3 GLY A 1 4.207 0.497 -2.851 1.00 25.43 H new ATOM 8 N SER A 2 4.533 -1.759 -1.329 1.00 51.22 N ATOM 9 CA SER A 2 5.216 -2.922 -0.776 1.00 23.24 C ATOM 10 C SER A 2 4.660 -4.213 -1.371 1.00 5.34 C ATOM 11 O SER A 2 3.654 -4.199 -2.079 1.00 31.45 O ATOM 12 CB SER A 2 5.076 -2.947 0.747 1.00 52.32 C ATOM 13 OG SER A 2 5.782 -4.040 1.307 1.00 14.32 O ATOM 0 H SER A 2 3.689 -1.978 -1.859 1.00 51.22 H new ATOM 0 HA SER A 2 6.272 -2.849 -1.035 1.00 23.24 H new ATOM 0 HB2 SER A 2 5.453 -2.014 1.165 1.00 52.32 H new ATOM 0 HB3 SER A 2 4.022 -3.014 1.017 1.00 52.32 H new ATOM 0 HG SER A 2 5.678 -4.032 2.281 1.00 14.32 H new ATOM 19 N ALA A 3 5.325 -5.326 -1.076 1.00 72.02 N ATOM 20 CA ALA A 3 4.897 -6.625 -1.580 1.00 2.03 C ATOM 21 C ALA A 3 3.482 -6.954 -1.117 1.00 11.01 C ATOM 22 O ALA A 3 3.284 -7.477 -0.020 1.00 10.42 O ATOM 23 CB ALA A 3 5.866 -7.710 -1.132 1.00 43.52 C ATOM 0 H ALA A 3 6.161 -5.354 -0.492 1.00 72.02 H new ATOM 0 HA ALA A 3 4.894 -6.582 -2.669 1.00 2.03 H new ATOM 0 HB1 ALA A 3 5.534 -8.675 -1.515 1.00 43.52 H new ATOM 0 HB2 ALA A 3 6.862 -7.490 -1.516 1.00 43.52 H new ATOM 0 HB3 ALA A 3 5.897 -7.743 -0.043 1.00 43.52 H new ATOM 29 N GLN A 4 2.502 -6.646 -1.960 1.00 13.21 N ATOM 30 CA GLN A 4 1.105 -6.907 -1.635 1.00 35.53 C ATOM 31 C GLN A 4 0.664 -8.262 -2.181 1.00 14.13 C ATOM 32 O GLN A 4 0.916 -8.586 -3.340 1.00 70.44 O ATOM 33 CB GLN A 4 0.211 -5.802 -2.200 1.00 62.11 C ATOM 34 CG GLN A 4 -0.817 -5.283 -1.208 1.00 4.42 C ATOM 35 CD GLN A 4 -1.487 -4.006 -1.676 1.00 22.33 C ATOM 36 OE1 GLN A 4 -0.862 -2.947 -1.732 1.00 23.23 O ATOM 37 NE2 GLN A 4 -2.768 -4.101 -2.014 1.00 41.30 N ATOM 0 H GLN A 4 2.650 -6.216 -2.873 1.00 13.21 H new ATOM 0 HA GLN A 4 1.008 -6.922 -0.549 1.00 35.53 H new ATOM 0 HB2 GLN A 4 0.837 -4.973 -2.529 1.00 62.11 H new ATOM 0 HB3 GLN A 4 -0.306 -6.180 -3.082 1.00 62.11 H new ATOM 0 HG2 GLN A 4 -1.576 -6.048 -1.044 1.00 4.42 H new ATOM 0 HG3 GLN A 4 -0.332 -5.104 -0.248 1.00 4.42 H new ATOM 0 HE21 GLN A 4 -3.247 -5.000 -1.952 1.00 41.30 H new ATOM 0 HE22 GLN A 4 -3.273 -3.275 -2.336 1.00 41.30 H new ATOM 46 N ASN A 5 0.005 -9.048 -1.336 1.00 74.10 N ATOM 47 CA ASN A 5 -0.470 -10.368 -1.733 1.00 72.42 C ATOM 48 C ASN A 5 -1.852 -10.279 -2.375 1.00 23.10 C ATOM 49 O ASN A 5 -2.810 -9.827 -1.747 1.00 73.52 O ATOM 50 CB ASN A 5 -0.517 -11.303 -0.522 1.00 60.25 C ATOM 51 CG ASN A 5 -1.447 -10.796 0.563 1.00 53.12 C ATOM 52 OD1 ASN A 5 -2.621 -11.166 0.613 1.00 22.33 O ATOM 53 ND2 ASN A 5 -0.926 -9.944 1.438 1.00 31.53 N ATOM 0 H ASN A 5 -0.212 -8.794 -0.372 1.00 74.10 H new ATOM 0 HA ASN A 5 0.227 -10.771 -2.467 1.00 72.42 H new ATOM 0 HB2 ASN A 5 -0.842 -12.293 -0.843 1.00 60.25 H new ATOM 0 HB3 ASN A 5 0.487 -11.415 -0.113 1.00 60.25 H new ATOM 0 HD21 ASN A 5 -1.504 -9.568 2.190 1.00 31.53 H new ATOM 0 HD22 ASN A 5 0.052 -9.665 1.358 1.00 31.53 H new ATOM 60 N ILE A 6 -1.946 -10.714 -3.627 1.00 53.20 N ATOM 61 CA ILE A 6 -3.211 -10.685 -4.352 1.00 3.14 C ATOM 62 C ILE A 6 -3.535 -12.051 -4.946 1.00 33.40 C ATOM 63 O ILE A 6 -2.718 -12.646 -5.650 1.00 13.22 O ATOM 64 CB ILE A 6 -3.187 -9.639 -5.481 1.00 74.35 C ATOM 65 CG1 ILE A 6 -3.452 -8.242 -4.918 1.00 13.30 C ATOM 66 CG2 ILE A 6 -4.214 -9.989 -6.549 1.00 70.40 C ATOM 67 CD1 ILE A 6 -2.323 -7.710 -4.064 1.00 25.51 C ATOM 0 H ILE A 6 -1.162 -11.090 -4.160 1.00 53.20 H new ATOM 0 HA ILE A 6 -3.983 -10.413 -3.632 1.00 3.14 H new ATOM 0 HB ILE A 6 -2.198 -9.644 -5.939 1.00 74.35 H new ATOM 0 HG12 ILE A 6 -3.627 -7.553 -5.745 1.00 13.30 H new ATOM 0 HG13 ILE A 6 -4.366 -8.266 -4.324 1.00 13.30 H new ATOM 0 HG21 ILE A 6 -4.185 -9.240 -7.341 1.00 70.40 H new ATOM 0 HG22 ILE A 6 -3.984 -10.969 -6.968 1.00 70.40 H new ATOM 0 HG23 ILE A 6 -5.209 -10.009 -6.104 1.00 70.40 H new ATOM 0 HD11 ILE A 6 -2.580 -6.716 -3.699 1.00 25.51 H new ATOM 0 HD12 ILE A 6 -2.162 -8.377 -3.217 1.00 25.51 H new ATOM 0 HD13 ILE A 6 -1.412 -7.653 -4.660 1.00 25.51 H new ATOM 79 N THR A 7 -4.736 -12.545 -4.658 1.00 62.45 N ATOM 80 CA THR A 7 -5.170 -13.842 -5.164 1.00 50.42 C ATOM 81 C THR A 7 -5.916 -13.694 -6.486 1.00 71.42 C ATOM 82 O THR A 7 -6.678 -12.748 -6.676 1.00 54.41 O ATOM 83 CB THR A 7 -6.079 -14.564 -4.153 1.00 12.40 C ATOM 84 OG1 THR A 7 -7.059 -13.655 -3.638 1.00 70.14 O ATOM 85 CG2 THR A 7 -5.262 -15.139 -3.005 1.00 31.41 C ATOM 0 H THR A 7 -5.425 -12.067 -4.077 1.00 62.45 H new ATOM 0 HA THR A 7 -4.271 -14.437 -5.322 1.00 50.42 H new ATOM 0 HB THR A 7 -6.579 -15.383 -4.669 1.00 12.40 H new ATOM 0 HG1 THR A 7 -7.634 -14.123 -2.997 1.00 70.14 H new ATOM 0 HG21 THR A 7 -5.926 -15.644 -2.303 1.00 31.41 H new ATOM 0 HG22 THR A 7 -4.537 -15.852 -3.396 1.00 31.41 H new ATOM 0 HG23 THR A 7 -4.738 -14.333 -2.492 1.00 31.41 H new ATOM 93 N ALA A 8 -5.690 -14.636 -7.395 1.00 61.22 N ATOM 94 CA ALA A 8 -6.344 -14.612 -8.698 1.00 63.32 C ATOM 95 C ALA A 8 -6.664 -16.024 -9.177 1.00 71.34 C ATOM 96 O ALA A 8 -6.181 -17.006 -8.613 1.00 72.45 O ATOM 97 CB ALA A 8 -5.468 -13.894 -9.714 1.00 60.13 C ATOM 0 H ALA A 8 -5.059 -15.425 -7.254 1.00 61.22 H new ATOM 0 HA ALA A 8 -7.284 -14.069 -8.596 1.00 63.32 H new ATOM 0 HB1 ALA A 8 -5.968 -13.883 -10.682 1.00 60.13 H new ATOM 0 HB2 ALA A 8 -5.293 -12.870 -9.384 1.00 60.13 H new ATOM 0 HB3 ALA A 8 -4.514 -14.414 -9.804 1.00 60.13 H new ATOM 103 N ARG A 9 -7.482 -16.118 -10.221 1.00 31.11 N ATOM 104 CA ARG A 9 -7.868 -17.411 -10.775 1.00 13.33 C ATOM 105 C ARG A 9 -7.525 -17.491 -12.258 1.00 51.15 C ATOM 106 O ARG A 9 -7.526 -16.480 -12.961 1.00 42.43 O ATOM 107 CB ARG A 9 -9.366 -17.647 -10.573 1.00 74.50 C ATOM 108 CG ARG A 9 -9.693 -18.473 -9.339 1.00 41.25 C ATOM 109 CD ARG A 9 -10.017 -17.586 -8.147 1.00 51.42 C ATOM 110 NE ARG A 9 -9.288 -17.992 -6.948 1.00 50.43 N ATOM 111 CZ ARG A 9 -9.074 -17.189 -5.911 1.00 13.01 C ATOM 112 NH1 ARG A 9 -9.532 -15.945 -5.926 1.00 24.42 N ATOM 113 NH2 ARG A 9 -8.402 -17.632 -4.857 1.00 4.22 N ATOM 0 H ARG A 9 -7.890 -15.315 -10.700 1.00 31.11 H new ATOM 0 HA ARG A 9 -7.310 -18.186 -10.249 1.00 13.33 H new ATOM 0 HB2 ARG A 9 -9.870 -16.683 -10.498 1.00 74.50 H new ATOM 0 HB3 ARG A 9 -9.768 -18.150 -11.453 1.00 74.50 H new ATOM 0 HG2 ARG A 9 -10.540 -19.125 -9.550 1.00 41.25 H new ATOM 0 HG3 ARG A 9 -8.848 -19.117 -9.096 1.00 41.25 H new ATOM 0 HD2 ARG A 9 -9.771 -16.552 -8.388 1.00 51.42 H new ATOM 0 HD3 ARG A 9 -11.088 -17.622 -7.949 1.00 51.42 H new ATOM 0 HE ARG A 9 -8.923 -18.944 -6.904 1.00 50.43 H new ATOM 0 HH11 ARG A 9 -10.050 -15.602 -6.735 1.00 24.42 H new ATOM 0 HH12 ARG A 9 -9.366 -15.331 -5.129 1.00 24.42 H new ATOM 0 HH21 ARG A 9 -8.049 -18.589 -4.842 1.00 4.22 H new ATOM 0 HH22 ARG A 9 -8.238 -17.016 -4.061 1.00 4.22 H new ATOM 127 N ILE A 10 -7.230 -18.699 -12.728 1.00 52.51 N ATOM 128 CA ILE A 10 -6.885 -18.911 -14.128 1.00 41.24 C ATOM 129 C ILE A 10 -8.085 -18.658 -15.034 1.00 61.21 C ATOM 130 O ILE A 10 -9.120 -19.310 -14.907 1.00 33.12 O ATOM 131 CB ILE A 10 -6.364 -20.340 -14.370 1.00 0.21 C ATOM 132 CG1 ILE A 10 -5.122 -20.604 -13.516 1.00 74.44 C ATOM 133 CG2 ILE A 10 -6.056 -20.549 -15.845 1.00 45.20 C ATOM 134 CD1 ILE A 10 -4.934 -22.063 -13.158 1.00 53.55 C ATOM 0 H ILE A 10 -7.223 -19.546 -12.159 1.00 52.51 H new ATOM 0 HA ILE A 10 -6.095 -18.200 -14.369 1.00 41.24 H new ATOM 0 HB ILE A 10 -7.139 -21.049 -14.078 1.00 0.21 H new ATOM 0 HG12 ILE A 10 -4.241 -20.253 -14.053 1.00 74.44 H new ATOM 0 HG13 ILE A 10 -5.190 -20.019 -12.599 1.00 74.44 H new ATOM 0 HG21 ILE A 10 -5.689 -21.564 -16.000 1.00 45.20 H new ATOM 0 HG22 ILE A 10 -6.963 -20.398 -16.431 1.00 45.20 H new ATOM 0 HG23 ILE A 10 -5.296 -19.836 -16.163 1.00 45.20 H new ATOM 0 HD11 ILE A 10 -4.035 -22.176 -12.552 1.00 53.55 H new ATOM 0 HD12 ILE A 10 -5.798 -22.413 -12.594 1.00 53.55 H new ATOM 0 HD13 ILE A 10 -4.833 -22.651 -14.070 1.00 53.55 H new ATOM 146 N GLY A 11 -7.936 -17.708 -15.953 1.00 14.32 N ATOM 147 CA GLY A 11 -9.016 -17.387 -16.869 1.00 32.13 C ATOM 148 C GLY A 11 -9.790 -16.156 -16.443 1.00 54.30 C ATOM 149 O GLY A 11 -10.639 -15.662 -17.186 1.00 61.22 O ATOM 0 H GLY A 11 -7.088 -17.156 -16.079 1.00 14.32 H new ATOM 0 HA2 GLY A 11 -8.607 -17.228 -17.867 1.00 32.13 H new ATOM 0 HA3 GLY A 11 -9.697 -18.236 -16.935 1.00 32.13 H new ATOM 153 N GLU A 12 -9.500 -15.660 -15.245 1.00 3.14 N ATOM 154 CA GLU A 12 -10.179 -14.480 -14.722 1.00 4.33 C ATOM 155 C GLU A 12 -9.296 -13.242 -14.850 1.00 64.42 C ATOM 156 O GLU A 12 -8.083 -13.291 -14.643 1.00 42.13 O ATOM 157 CB GLU A 12 -10.566 -14.694 -13.257 1.00 24.23 C ATOM 158 CG GLU A 12 -9.465 -14.326 -12.276 1.00 41.11 C ATOM 159 CD GLU A 12 -9.566 -12.890 -11.799 1.00 20.01 C ATOM 160 OE1 GLU A 12 -10.692 -12.351 -11.778 1.00 54.34 O ATOM 161 OE2 GLU A 12 -8.521 -12.306 -11.445 1.00 61.55 O ATOM 0 H GLU A 12 -8.800 -16.056 -14.618 1.00 3.14 H new ATOM 0 HA GLU A 12 -11.083 -14.323 -15.310 1.00 4.33 H new ATOM 0 HB2 GLU A 12 -11.453 -14.101 -13.034 1.00 24.23 H new ATOM 0 HB3 GLU A 12 -10.837 -15.740 -13.111 1.00 24.23 H new ATOM 0 HG2 GLU A 12 -9.511 -14.995 -11.416 1.00 41.11 H new ATOM 0 HG3 GLU A 12 -8.495 -14.481 -12.749 1.00 41.11 H new ATOM 168 N PRO A 13 -9.916 -12.107 -15.200 1.00 51.44 N ATOM 169 CA PRO A 13 -9.206 -10.835 -15.365 1.00 15.34 C ATOM 170 C PRO A 13 -8.712 -10.270 -14.036 1.00 74.54 C ATOM 171 O PRO A 13 -9.369 -10.419 -13.006 1.00 4.35 O ATOM 172 CB PRO A 13 -10.265 -9.913 -15.976 1.00 33.40 C ATOM 173 CG PRO A 13 -11.567 -10.489 -15.536 1.00 53.01 C ATOM 174 CD PRO A 13 -11.359 -11.976 -15.462 1.00 72.14 C ATOM 0 HA PRO A 13 -8.312 -10.945 -15.978 1.00 15.34 H new ATOM 0 HB2 PRO A 13 -10.147 -8.888 -15.626 1.00 33.40 H new ATOM 0 HB3 PRO A 13 -10.190 -9.889 -17.063 1.00 33.40 H new ATOM 0 HG2 PRO A 13 -11.863 -10.088 -14.567 1.00 53.01 H new ATOM 0 HG3 PRO A 13 -12.361 -10.241 -16.240 1.00 53.01 H new ATOM 0 HD2 PRO A 13 -11.954 -12.426 -14.667 1.00 72.14 H new ATOM 0 HD3 PRO A 13 -11.645 -12.468 -16.392 1.00 72.14 H new ATOM 182 N LEU A 14 -7.554 -9.623 -14.069 1.00 62.33 N ATOM 183 CA LEU A 14 -6.972 -9.035 -12.867 1.00 3.13 C ATOM 184 C LEU A 14 -6.296 -7.704 -13.184 1.00 32.25 C ATOM 185 O LEU A 14 -5.693 -7.539 -14.243 1.00 52.55 O ATOM 186 CB LEU A 14 -5.960 -9.998 -12.243 1.00 71.34 C ATOM 187 CG LEU A 14 -5.524 -9.679 -10.813 1.00 63.31 C ATOM 188 CD1 LEU A 14 -6.701 -9.794 -9.857 1.00 71.44 C ATOM 189 CD2 LEU A 14 -4.393 -10.602 -10.381 1.00 61.54 C ATOM 0 H LEU A 14 -6.999 -9.492 -14.914 1.00 62.33 H new ATOM 0 HA LEU A 14 -7.777 -8.852 -12.155 1.00 3.13 H new ATOM 0 HB2 LEU A 14 -6.387 -11.001 -12.256 1.00 71.34 H new ATOM 0 HB3 LEU A 14 -5.073 -10.021 -12.876 1.00 71.34 H new ATOM 0 HG LEU A 14 -5.159 -8.652 -10.786 1.00 63.31 H new ATOM 0 HD11 LEU A 14 -6.371 -9.563 -8.844 1.00 71.44 H new ATOM 0 HD12 LEU A 14 -7.480 -9.092 -10.153 1.00 71.44 H new ATOM 0 HD13 LEU A 14 -7.097 -10.809 -9.887 1.00 71.44 H new ATOM 0 HD21 LEU A 14 -4.096 -10.360 -9.361 1.00 61.54 H new ATOM 0 HD22 LEU A 14 -4.731 -11.637 -10.425 1.00 61.54 H new ATOM 0 HD23 LEU A 14 -3.541 -10.470 -11.048 1.00 61.54 H new ATOM 201 N VAL A 15 -6.401 -6.758 -12.255 1.00 34.44 N ATOM 202 CA VAL A 15 -5.798 -5.443 -12.433 1.00 41.22 C ATOM 203 C VAL A 15 -4.826 -5.126 -11.302 1.00 32.14 C ATOM 204 O VAL A 15 -5.013 -5.568 -10.167 1.00 63.34 O ATOM 205 CB VAL A 15 -6.870 -4.338 -12.499 1.00 74.24 C ATOM 206 CG1 VAL A 15 -6.255 -3.023 -12.951 1.00 24.11 C ATOM 207 CG2 VAL A 15 -8.004 -4.752 -13.425 1.00 4.21 C ATOM 0 H VAL A 15 -6.898 -6.878 -11.372 1.00 34.44 H new ATOM 0 HA VAL A 15 -5.255 -5.469 -13.378 1.00 41.22 H new ATOM 0 HB VAL A 15 -7.281 -4.194 -11.500 1.00 74.24 H new ATOM 0 HG11 VAL A 15 -7.027 -2.255 -12.992 1.00 24.11 H new ATOM 0 HG12 VAL A 15 -5.481 -2.722 -12.245 1.00 24.11 H new ATOM 0 HG13 VAL A 15 -5.815 -3.148 -13.941 1.00 24.11 H new ATOM 0 HG21 VAL A 15 -8.752 -3.960 -13.460 1.00 4.21 H new ATOM 0 HG22 VAL A 15 -7.611 -4.925 -14.427 1.00 4.21 H new ATOM 0 HG23 VAL A 15 -8.462 -5.668 -13.052 1.00 4.21 H new ATOM 217 N LEU A 16 -3.790 -4.358 -11.617 1.00 40.33 N ATOM 218 CA LEU A 16 -2.788 -3.980 -10.627 1.00 63.24 C ATOM 219 C LEU A 16 -2.547 -2.473 -10.643 1.00 21.25 C ATOM 220 O LEU A 16 -2.667 -1.826 -11.683 1.00 43.50 O ATOM 221 CB LEU A 16 -1.476 -4.720 -10.892 1.00 74.40 C ATOM 222 CG LEU A 16 -1.506 -6.234 -10.682 1.00 72.51 C ATOM 223 CD1 LEU A 16 -0.371 -6.902 -11.443 1.00 40.52 C ATOM 224 CD2 LEU A 16 -1.426 -6.569 -9.199 1.00 61.55 C ATOM 0 H LEU A 16 -3.621 -3.984 -12.551 1.00 40.33 H new ATOM 0 HA LEU A 16 -3.163 -4.259 -9.642 1.00 63.24 H new ATOM 0 HB2 LEU A 16 -1.171 -4.522 -11.920 1.00 74.40 H new ATOM 0 HB3 LEU A 16 -0.707 -4.299 -10.245 1.00 74.40 H new ATOM 0 HG LEU A 16 -2.450 -6.616 -11.070 1.00 72.51 H new ATOM 0 HD11 LEU A 16 -0.409 -7.979 -11.281 1.00 40.52 H new ATOM 0 HD12 LEU A 16 -0.473 -6.691 -12.508 1.00 40.52 H new ATOM 0 HD13 LEU A 16 0.584 -6.515 -11.086 1.00 40.52 H new ATOM 0 HD21 LEU A 16 -1.449 -7.651 -9.069 1.00 61.55 H new ATOM 0 HD22 LEU A 16 -0.498 -6.173 -8.786 1.00 61.55 H new ATOM 0 HD23 LEU A 16 -2.274 -6.123 -8.679 1.00 61.55 H new ATOM 236 N LYS A 17 -2.205 -1.922 -9.484 1.00 14.24 N ATOM 237 CA LYS A 17 -1.944 -0.493 -9.363 1.00 22.11 C ATOM 238 C LYS A 17 -0.457 -0.228 -9.153 1.00 23.45 C ATOM 239 O LYS A 17 0.253 -1.046 -8.567 1.00 4.25 O ATOM 240 CB LYS A 17 -2.747 0.099 -8.203 1.00 35.51 C ATOM 241 CG LYS A 17 -2.561 1.596 -8.035 1.00 1.04 C ATOM 242 CD LYS A 17 -3.747 2.229 -7.326 1.00 20.42 C ATOM 243 CE LYS A 17 -4.840 2.621 -8.309 1.00 23.52 C ATOM 244 NZ LYS A 17 -6.037 3.174 -7.616 1.00 61.33 N ATOM 0 H LYS A 17 -2.102 -2.444 -8.614 1.00 14.24 H new ATOM 0 HA LYS A 17 -2.254 -0.014 -10.292 1.00 22.11 H new ATOM 0 HB2 LYS A 17 -3.805 -0.112 -8.360 1.00 35.51 H new ATOM 0 HB3 LYS A 17 -2.456 -0.401 -7.279 1.00 35.51 H new ATOM 0 HG2 LYS A 17 -1.651 1.789 -7.467 1.00 1.04 H new ATOM 0 HG3 LYS A 17 -2.431 2.059 -9.013 1.00 1.04 H new ATOM 0 HD2 LYS A 17 -4.149 1.530 -6.593 1.00 20.42 H new ATOM 0 HD3 LYS A 17 -3.416 3.111 -6.778 1.00 20.42 H new ATOM 0 HE2 LYS A 17 -4.451 3.361 -9.008 1.00 23.52 H new ATOM 0 HE3 LYS A 17 -5.130 1.750 -8.896 1.00 23.52 H new ATOM 0 HZ1 LYS A 17 -6.759 3.429 -8.320 1.00 61.33 H new ATOM 0 HZ2 LYS A 17 -6.424 2.459 -6.967 1.00 61.33 H new ATOM 0 HZ3 LYS A 17 -5.765 4.021 -7.076 1.00 61.33 H new ATOM 258 N CYS A 18 0.009 0.920 -9.632 1.00 0.42 N ATOM 259 CA CYS A 18 1.412 1.294 -9.495 1.00 31.02 C ATOM 260 C CYS A 18 1.568 2.483 -8.552 1.00 22.01 C ATOM 261 O CYS A 18 1.346 3.630 -8.938 1.00 51.13 O ATOM 262 CB CYS A 18 2.007 1.633 -10.863 1.00 72.32 C ATOM 263 SG CYS A 18 3.730 2.222 -10.800 1.00 33.24 S ATOM 0 H CYS A 18 -0.565 1.608 -10.119 1.00 0.42 H new ATOM 0 HA CYS A 18 1.949 0.445 -9.073 1.00 31.02 H new ATOM 0 HB2 CYS A 18 1.960 0.748 -11.497 1.00 72.32 H new ATOM 0 HB3 CYS A 18 1.390 2.397 -11.336 1.00 72.32 H new ATOM 268 N LYS A 19 1.954 2.201 -7.312 1.00 34.43 N ATOM 269 CA LYS A 19 2.142 3.244 -6.311 1.00 42.42 C ATOM 270 C LYS A 19 3.059 4.343 -6.838 1.00 41.13 C ATOM 271 O LYS A 19 4.281 4.194 -6.846 1.00 11.44 O ATOM 272 CB LYS A 19 2.725 2.650 -5.028 1.00 33.04 C ATOM 273 CG LYS A 19 1.691 2.423 -3.938 1.00 44.52 C ATOM 274 CD LYS A 19 0.799 1.234 -4.254 1.00 43.23 C ATOM 275 CE LYS A 19 -0.633 1.476 -3.804 1.00 4.13 C ATOM 276 NZ LYS A 19 -1.617 0.826 -4.712 1.00 52.32 N ATOM 0 H LYS A 19 2.143 1.257 -6.976 1.00 34.43 H new ATOM 0 HA LYS A 19 1.168 3.681 -6.091 1.00 42.42 H new ATOM 0 HB2 LYS A 19 3.207 1.701 -5.263 1.00 33.04 H new ATOM 0 HB3 LYS A 19 3.500 3.316 -4.649 1.00 33.04 H new ATOM 0 HG2 LYS A 19 2.195 2.258 -2.986 1.00 44.52 H new ATOM 0 HG3 LYS A 19 1.079 3.318 -3.824 1.00 44.52 H new ATOM 0 HD2 LYS A 19 0.816 1.040 -5.326 1.00 43.23 H new ATOM 0 HD3 LYS A 19 1.190 0.343 -3.762 1.00 43.23 H new ATOM 0 HE2 LYS A 19 -0.765 1.094 -2.792 1.00 4.13 H new ATOM 0 HE3 LYS A 19 -0.826 2.548 -3.767 1.00 4.13 H new ATOM 0 HZ1 LYS A 19 -2.577 0.957 -4.334 1.00 52.32 H new ATOM 0 HZ2 LYS A 19 -1.555 1.257 -5.657 1.00 52.32 H new ATOM 0 HZ3 LYS A 19 -1.408 -0.190 -4.780 1.00 52.32 H new ATOM 290 N GLY A 20 2.463 5.447 -7.277 1.00 13.22 N ATOM 291 CA GLY A 20 3.242 6.555 -7.798 1.00 63.30 C ATOM 292 C GLY A 20 2.523 7.300 -8.905 1.00 41.22 C ATOM 293 O GLY A 20 2.475 8.529 -8.905 1.00 52.01 O ATOM 0 H GLY A 20 1.454 5.594 -7.281 1.00 13.22 H new ATOM 0 HA2 GLY A 20 3.471 7.247 -6.988 1.00 63.30 H new ATOM 0 HA3 GLY A 20 4.194 6.180 -8.175 1.00 63.30 H new ATOM 297 N ALA A 21 1.964 6.553 -9.853 1.00 45.50 N ATOM 298 CA ALA A 21 1.245 7.151 -10.971 1.00 14.23 C ATOM 299 C ALA A 21 -0.255 7.201 -10.695 1.00 25.52 C ATOM 300 O ALA A 21 -0.962 6.198 -10.795 1.00 3.12 O ATOM 301 CB ALA A 21 1.522 6.377 -12.251 1.00 0.12 C ATOM 0 H ALA A 21 1.996 5.534 -9.868 1.00 45.50 H new ATOM 0 HA ALA A 21 1.600 8.174 -11.094 1.00 14.23 H new ATOM 0 HB1 ALA A 21 0.979 6.835 -13.078 1.00 0.12 H new ATOM 0 HB2 ALA A 21 2.591 6.397 -12.464 1.00 0.12 H new ATOM 0 HB3 ALA A 21 1.195 5.344 -12.130 1.00 0.12 H new ATOM 307 N PRO A 22 -0.752 8.393 -10.338 1.00 3.23 N ATOM 308 CA PRO A 22 -2.172 8.602 -10.040 1.00 11.11 C ATOM 309 C PRO A 22 -3.046 8.500 -11.284 1.00 71.10 C ATOM 310 O PRO A 22 -2.621 7.975 -12.313 1.00 34.52 O ATOM 311 CB PRO A 22 -2.210 10.024 -9.474 1.00 12.14 C ATOM 312 CG PRO A 22 -1.018 10.697 -10.060 1.00 1.40 C ATOM 313 CD PRO A 22 0.033 9.631 -10.198 1.00 1.14 C ATOM 0 HA PRO A 22 -2.561 7.847 -9.357 1.00 11.11 H new ATOM 0 HB2 PRO A 22 -3.131 10.536 -9.753 1.00 12.14 H new ATOM 0 HB3 PRO A 22 -2.166 10.018 -8.385 1.00 12.14 H new ATOM 0 HG2 PRO A 22 -1.256 11.138 -11.028 1.00 1.40 H new ATOM 0 HG3 PRO A 22 -0.671 11.506 -9.417 1.00 1.40 H new ATOM 0 HD2 PRO A 22 0.669 9.804 -11.066 1.00 1.14 H new ATOM 0 HD3 PRO A 22 0.686 9.596 -9.326 1.00 1.14 H new ATOM 321 N LYS A 23 -4.271 9.006 -11.184 1.00 63.35 N ATOM 322 CA LYS A 23 -5.206 8.974 -12.303 1.00 21.31 C ATOM 323 C LYS A 23 -4.662 9.761 -13.490 1.00 51.00 C ATOM 324 O LYS A 23 -5.218 9.713 -14.588 1.00 2.11 O ATOM 325 CB LYS A 23 -6.561 9.544 -11.878 1.00 21.45 C ATOM 326 CG LYS A 23 -7.408 8.568 -11.077 1.00 42.03 C ATOM 327 CD LYS A 23 -6.906 8.437 -9.649 1.00 34.52 C ATOM 328 CE LYS A 23 -7.989 7.899 -8.726 1.00 3.04 C ATOM 329 NZ LYS A 23 -8.530 6.597 -9.204 1.00 65.21 N ATOM 0 H LYS A 23 -4.639 9.443 -10.339 1.00 63.35 H new ATOM 0 HA LYS A 23 -5.334 7.935 -12.607 1.00 21.31 H new ATOM 0 HB2 LYS A 23 -6.397 10.443 -11.283 1.00 21.45 H new ATOM 0 HB3 LYS A 23 -7.114 9.847 -12.768 1.00 21.45 H new ATOM 0 HG2 LYS A 23 -8.445 8.905 -11.070 1.00 42.03 H new ATOM 0 HG3 LYS A 23 -7.394 7.591 -11.560 1.00 42.03 H new ATOM 0 HD2 LYS A 23 -6.042 7.772 -9.625 1.00 34.52 H new ATOM 0 HD3 LYS A 23 -6.570 9.410 -9.289 1.00 34.52 H new ATOM 0 HE2 LYS A 23 -7.582 7.776 -7.722 1.00 3.04 H new ATOM 0 HE3 LYS A 23 -8.799 8.625 -8.655 1.00 3.04 H new ATOM 0 HZ1 LYS A 23 -9.110 6.167 -8.456 1.00 65.21 H new ATOM 0 HZ2 LYS A 23 -9.115 6.754 -10.049 1.00 65.21 H new ATOM 0 HZ3 LYS A 23 -7.743 5.960 -9.441 1.00 65.21 H new ATOM 343 N LYS A 24 -3.571 10.485 -13.264 1.00 64.22 N ATOM 344 CA LYS A 24 -2.948 11.281 -14.316 1.00 15.24 C ATOM 345 C LYS A 24 -2.839 10.482 -15.610 1.00 41.15 C ATOM 346 O LYS A 24 -3.036 9.267 -15.636 1.00 55.04 O ATOM 347 CB LYS A 24 -1.560 11.750 -13.874 1.00 73.44 C ATOM 348 CG LYS A 24 -1.521 13.204 -13.436 1.00 24.14 C ATOM 349 CD LYS A 24 -2.383 13.440 -12.207 1.00 23.21 C ATOM 350 CE LYS A 24 -1.723 14.413 -11.242 1.00 60.22 C ATOM 351 NZ LYS A 24 -0.516 13.826 -10.600 1.00 24.41 N ATOM 0 H LYS A 24 -3.099 10.537 -12.361 1.00 64.22 H new ATOM 0 HA LYS A 24 -3.577 12.152 -14.500 1.00 15.24 H new ATOM 0 HB2 LYS A 24 -1.218 11.122 -13.051 1.00 73.44 H new ATOM 0 HB3 LYS A 24 -0.859 11.608 -14.696 1.00 73.44 H new ATOM 0 HG2 LYS A 24 -0.492 13.492 -13.221 1.00 24.14 H new ATOM 0 HG3 LYS A 24 -1.866 13.840 -14.251 1.00 24.14 H new ATOM 0 HD2 LYS A 24 -3.354 13.830 -12.512 1.00 23.21 H new ATOM 0 HD3 LYS A 24 -2.565 12.492 -11.701 1.00 23.21 H new ATOM 0 HE2 LYS A 24 -1.444 15.321 -11.776 1.00 60.22 H new ATOM 0 HE3 LYS A 24 -2.439 14.703 -10.473 1.00 60.22 H new ATOM 0 HZ1 LYS A 24 0.252 14.528 -10.597 1.00 24.41 H new ATOM 0 HZ2 LYS A 24 -0.741 13.554 -9.622 1.00 24.41 H new ATOM 0 HZ3 LYS A 24 -0.214 12.985 -11.132 1.00 24.41 H new ATOM 365 N PRO A 25 -2.515 11.178 -16.711 1.00 21.15 N ATOM 366 CA PRO A 25 -2.370 10.552 -18.028 1.00 43.33 C ATOM 367 C PRO A 25 -1.138 9.657 -18.113 1.00 1.44 C ATOM 368 O PRO A 25 -0.309 9.613 -17.202 1.00 61.05 O ATOM 369 CB PRO A 25 -2.227 11.747 -18.974 1.00 73.44 C ATOM 370 CG PRO A 25 -1.684 12.842 -18.123 1.00 4.21 C ATOM 371 CD PRO A 25 -2.264 12.628 -16.752 1.00 73.31 C ATOM 0 HA PRO A 25 -3.211 9.901 -18.264 1.00 43.33 H new ATOM 0 HB2 PRO A 25 -1.555 11.519 -19.801 1.00 73.44 H new ATOM 0 HB3 PRO A 25 -3.187 12.024 -19.410 1.00 73.44 H new ATOM 0 HG2 PRO A 25 -0.595 12.811 -18.095 1.00 4.21 H new ATOM 0 HG3 PRO A 25 -1.965 13.819 -18.517 1.00 4.21 H new ATOM 0 HD2 PRO A 25 -1.571 12.938 -15.970 1.00 73.31 H new ATOM 0 HD3 PRO A 25 -3.182 13.199 -16.610 1.00 73.31 H new ATOM 379 N PRO A 26 -1.013 8.925 -19.230 1.00 4.22 N ATOM 380 CA PRO A 26 0.116 8.018 -19.459 1.00 50.45 C ATOM 381 C PRO A 26 1.425 8.767 -19.686 1.00 30.12 C ATOM 382 O PRO A 26 1.710 9.214 -20.797 1.00 22.54 O ATOM 383 CB PRO A 26 -0.291 7.259 -20.725 1.00 0.45 C ATOM 384 CG PRO A 26 -1.229 8.175 -21.431 1.00 41.43 C ATOM 385 CD PRO A 26 -1.962 8.928 -20.354 1.00 71.34 C ATOM 0 HA PRO A 26 0.302 7.374 -18.600 1.00 50.45 H new ATOM 0 HB2 PRO A 26 0.576 7.027 -21.343 1.00 0.45 H new ATOM 0 HB3 PRO A 26 -0.771 6.311 -20.481 1.00 0.45 H new ATOM 0 HG2 PRO A 26 -0.688 8.858 -22.086 1.00 41.43 H new ATOM 0 HG3 PRO A 26 -1.923 7.615 -22.058 1.00 41.43 H new ATOM 0 HD2 PRO A 26 -2.208 9.942 -20.669 1.00 71.34 H new ATOM 0 HD3 PRO A 26 -2.900 8.440 -20.089 1.00 71.34 H new ATOM 393 N GLN A 27 2.216 8.900 -18.626 1.00 32.01 N ATOM 394 CA GLN A 27 3.495 9.596 -18.710 1.00 14.11 C ATOM 395 C GLN A 27 4.649 8.603 -18.817 1.00 14.52 C ATOM 396 O GLN A 27 4.433 7.395 -18.915 1.00 70.04 O ATOM 397 CB GLN A 27 3.692 10.496 -17.490 1.00 23.25 C ATOM 398 CG GLN A 27 2.648 11.594 -17.368 1.00 41.44 C ATOM 399 CD GLN A 27 2.647 12.531 -18.561 1.00 75.10 C ATOM 400 OE1 GLN A 27 1.882 12.347 -19.508 1.00 53.43 O ATOM 401 NE2 GLN A 27 3.506 13.543 -18.520 1.00 53.44 N ATOM 0 H GLN A 27 1.994 8.535 -17.700 1.00 32.01 H new ATOM 0 HA GLN A 27 3.486 10.213 -19.609 1.00 14.11 H new ATOM 0 HB2 GLN A 27 3.669 9.883 -16.589 1.00 23.25 H new ATOM 0 HB3 GLN A 27 4.681 10.951 -17.541 1.00 23.25 H new ATOM 0 HG2 GLN A 27 1.661 11.143 -17.264 1.00 41.44 H new ATOM 0 HG3 GLN A 27 2.833 12.168 -16.460 1.00 41.44 H new ATOM 0 HE21 GLN A 27 4.122 13.657 -17.715 1.00 53.44 H new ATOM 0 HE22 GLN A 27 3.550 14.206 -19.294 1.00 53.44 H new ATOM 410 N ARG A 28 5.871 9.122 -18.796 1.00 64.33 N ATOM 411 CA ARG A 28 7.060 8.282 -18.892 1.00 34.53 C ATOM 412 C ARG A 28 7.159 7.343 -17.693 1.00 64.10 C ATOM 413 O ARG A 28 7.014 7.767 -16.546 1.00 33.45 O ATOM 414 CB ARG A 28 8.317 9.147 -18.982 1.00 24.13 C ATOM 415 CG ARG A 28 8.435 10.168 -17.862 1.00 22.45 C ATOM 416 CD ARG A 28 9.779 10.878 -17.895 1.00 3.23 C ATOM 417 NE ARG A 28 10.897 9.940 -17.830 1.00 31.43 N ATOM 418 CZ ARG A 28 12.141 10.254 -18.171 1.00 43.54 C ATOM 419 NH1 ARG A 28 12.426 11.476 -18.600 1.00 43.13 N ATOM 420 NH2 ARG A 28 13.104 9.345 -18.085 1.00 52.32 N ATOM 0 H ARG A 28 6.065 10.120 -18.713 1.00 64.33 H new ATOM 0 HA ARG A 28 6.977 7.681 -19.797 1.00 34.53 H new ATOM 0 HB2 ARG A 28 9.195 8.501 -18.967 1.00 24.13 H new ATOM 0 HB3 ARG A 28 8.321 9.668 -19.939 1.00 24.13 H new ATOM 0 HG2 ARG A 28 7.633 10.901 -17.950 1.00 22.45 H new ATOM 0 HG3 ARG A 28 8.308 9.671 -16.900 1.00 22.45 H new ATOM 0 HD2 ARG A 28 9.854 11.469 -18.808 1.00 3.23 H new ATOM 0 HD3 ARG A 28 9.841 11.574 -17.059 1.00 3.23 H new ATOM 0 HE ARG A 28 10.712 8.991 -17.505 1.00 31.43 H new ATOM 0 HH11 ARG A 28 11.689 12.177 -18.669 1.00 43.13 H new ATOM 0 HH12 ARG A 28 13.383 11.715 -18.861 1.00 43.13 H new ATOM 0 HH21 ARG A 28 12.889 8.404 -17.757 1.00 52.32 H new ATOM 0 HH22 ARG A 28 14.059 9.588 -18.347 1.00 52.32 H new ATOM 434 N LEU A 29 7.407 6.067 -17.967 1.00 4.25 N ATOM 435 CA LEU A 29 7.526 5.067 -16.911 1.00 1.11 C ATOM 436 C LEU A 29 7.825 3.691 -17.495 1.00 72.33 C ATOM 437 O LEU A 29 7.559 3.433 -18.669 1.00 12.42 O ATOM 438 CB LEU A 29 6.241 5.015 -16.083 1.00 52.50 C ATOM 439 CG LEU A 29 4.938 4.884 -16.874 1.00 63.54 C ATOM 440 CD1 LEU A 29 4.760 3.460 -17.375 1.00 72.52 C ATOM 441 CD2 LEU A 29 3.751 5.304 -16.019 1.00 64.25 C ATOM 0 H LEU A 29 7.530 5.700 -18.911 1.00 4.25 H new ATOM 0 HA LEU A 29 8.355 5.354 -16.265 1.00 1.11 H new ATOM 0 HB2 LEU A 29 6.310 4.174 -15.394 1.00 52.50 H new ATOM 0 HB3 LEU A 29 6.186 5.920 -15.477 1.00 52.50 H new ATOM 0 HG LEU A 29 4.990 5.547 -17.738 1.00 63.54 H new ATOM 0 HD11 LEU A 29 3.828 3.385 -17.935 1.00 72.52 H new ATOM 0 HD12 LEU A 29 5.595 3.195 -18.023 1.00 72.52 H new ATOM 0 HD13 LEU A 29 4.729 2.777 -16.526 1.00 72.52 H new ATOM 0 HD21 LEU A 29 2.833 5.205 -16.598 1.00 64.25 H new ATOM 0 HD22 LEU A 29 3.695 4.667 -15.136 1.00 64.25 H new ATOM 0 HD23 LEU A 29 3.874 6.342 -15.710 1.00 64.25 H new ATOM 453 N GLU A 30 8.376 2.808 -16.668 1.00 24.11 N ATOM 454 CA GLU A 30 8.709 1.457 -17.103 1.00 72.55 C ATOM 455 C GLU A 30 7.971 0.417 -16.264 1.00 41.32 C ATOM 456 O GLU A 30 7.703 0.635 -15.083 1.00 4.14 O ATOM 457 CB GLU A 30 10.219 1.225 -17.011 1.00 34.31 C ATOM 458 CG GLU A 30 10.842 0.757 -18.315 1.00 45.24 C ATOM 459 CD GLU A 30 10.483 1.649 -19.487 1.00 35.32 C ATOM 460 OE1 GLU A 30 11.103 2.724 -19.627 1.00 31.42 O ATOM 461 OE2 GLU A 30 9.580 1.273 -20.264 1.00 72.32 O ATOM 0 H GLU A 30 8.601 3.004 -15.693 1.00 24.11 H new ATOM 0 HA GLU A 30 8.395 1.350 -18.141 1.00 72.55 H new ATOM 0 HB2 GLU A 30 10.702 2.151 -16.699 1.00 34.31 H new ATOM 0 HB3 GLU A 30 10.418 0.484 -16.236 1.00 34.31 H new ATOM 0 HG2 GLU A 30 11.926 0.727 -18.205 1.00 45.24 H new ATOM 0 HG3 GLU A 30 10.515 -0.261 -18.525 1.00 45.24 H new ATOM 468 N TRP A 31 7.646 -0.711 -16.883 1.00 75.34 N ATOM 469 CA TRP A 31 6.938 -1.784 -16.194 1.00 61.31 C ATOM 470 C TRP A 31 7.670 -3.112 -16.357 1.00 43.51 C ATOM 471 O TRP A 31 8.154 -3.436 -17.442 1.00 21.21 O ATOM 472 CB TRP A 31 5.510 -1.906 -16.727 1.00 71.13 C ATOM 473 CG TRP A 31 4.553 -2.496 -15.736 1.00 2.24 C ATOM 474 CD1 TRP A 31 4.644 -3.720 -15.137 1.00 51.21 C ATOM 475 CD2 TRP A 31 3.362 -1.886 -15.228 1.00 14.22 C ATOM 476 NE1 TRP A 31 3.580 -3.908 -14.288 1.00 14.10 N ATOM 477 CE2 TRP A 31 2.780 -2.797 -14.325 1.00 35.13 C ATOM 478 CE3 TRP A 31 2.731 -0.658 -15.446 1.00 4.42 C ATOM 479 CZ2 TRP A 31 1.597 -2.518 -13.644 1.00 61.35 C ATOM 480 CZ3 TRP A 31 1.557 -0.382 -14.769 1.00 63.01 C ATOM 481 CH2 TRP A 31 1.001 -1.309 -13.878 1.00 2.44 C ATOM 0 H TRP A 31 7.861 -0.907 -17.861 1.00 75.34 H new ATOM 0 HA TRP A 31 6.902 -1.538 -15.133 1.00 61.31 H new ATOM 0 HB2 TRP A 31 5.154 -0.918 -17.021 1.00 71.13 H new ATOM 0 HB3 TRP A 31 5.517 -2.523 -17.626 1.00 71.13 H new ATOM 0 HD1 TRP A 31 5.436 -4.435 -15.306 1.00 51.21 H new ATOM 0 HE1 TRP A 31 3.413 -4.740 -13.722 1.00 14.10 H new ATOM 0 HE3 TRP A 31 3.153 0.063 -16.131 1.00 4.42 H new ATOM 0 HZ2 TRP A 31 1.166 -3.230 -12.956 1.00 61.35 H new ATOM 0 HZ3 TRP A 31 1.061 0.564 -14.930 1.00 63.01 H new ATOM 0 HH2 TRP A 31 0.083 -1.064 -13.365 1.00 2.44 H new ATOM 492 N LYS A 32 7.749 -3.876 -15.274 1.00 32.43 N ATOM 493 CA LYS A 32 8.420 -5.170 -15.296 1.00 64.42 C ATOM 494 C LYS A 32 7.596 -6.224 -14.565 1.00 71.54 C ATOM 495 O LYS A 32 7.028 -5.958 -13.505 1.00 40.13 O ATOM 496 CB LYS A 32 9.807 -5.059 -14.658 1.00 73.25 C ATOM 497 CG LYS A 32 10.936 -4.966 -15.670 1.00 43.25 C ATOM 498 CD LYS A 32 12.293 -5.147 -15.011 1.00 12.13 C ATOM 499 CE LYS A 32 12.896 -3.812 -14.602 1.00 5.31 C ATOM 500 NZ LYS A 32 13.152 -2.935 -15.777 1.00 62.31 N ATOM 0 H LYS A 32 7.356 -3.621 -14.368 1.00 32.43 H new ATOM 0 HA LYS A 32 8.528 -5.477 -16.336 1.00 64.42 H new ATOM 0 HB2 LYS A 32 9.833 -4.179 -14.015 1.00 73.25 H new ATOM 0 HB3 LYS A 32 9.974 -5.926 -14.018 1.00 73.25 H new ATOM 0 HG2 LYS A 32 10.800 -5.726 -16.439 1.00 43.25 H new ATOM 0 HG3 LYS A 32 10.899 -3.998 -16.169 1.00 43.25 H new ATOM 0 HD2 LYS A 32 12.190 -5.785 -14.133 1.00 12.13 H new ATOM 0 HD3 LYS A 32 12.968 -5.657 -15.699 1.00 12.13 H new ATOM 0 HE2 LYS A 32 12.222 -3.306 -13.911 1.00 5.31 H new ATOM 0 HE3 LYS A 32 13.830 -3.984 -14.067 1.00 5.31 H new ATOM 0 HZ1 LYS A 32 14.161 -2.684 -15.810 1.00 62.31 H new ATOM 0 HZ2 LYS A 32 12.892 -3.438 -16.649 1.00 62.31 H new ATOM 0 HZ3 LYS A 32 12.582 -2.069 -15.694 1.00 62.31 H new ATOM 514 N LEU A 33 7.536 -7.422 -15.136 1.00 75.33 N ATOM 515 CA LEU A 33 6.782 -8.518 -14.537 1.00 75.23 C ATOM 516 C LEU A 33 7.564 -9.825 -14.616 1.00 3.41 C ATOM 517 O LEU A 33 8.081 -10.188 -15.672 1.00 43.52 O ATOM 518 CB LEU A 33 5.430 -8.677 -15.239 1.00 4.52 C ATOM 519 CG LEU A 33 4.644 -9.945 -14.901 1.00 62.14 C ATOM 520 CD1 LEU A 33 5.186 -11.132 -15.683 1.00 53.41 C ATOM 521 CD2 LEU A 33 4.693 -10.221 -13.406 1.00 4.43 C ATOM 0 H LEU A 33 8.000 -7.659 -16.013 1.00 75.33 H new ATOM 0 HA LEU A 33 6.614 -8.279 -13.487 1.00 75.23 H new ATOM 0 HB2 LEU A 33 4.812 -7.814 -14.993 1.00 4.52 H new ATOM 0 HB3 LEU A 33 5.597 -8.653 -16.316 1.00 4.52 H new ATOM 0 HG LEU A 33 3.603 -9.792 -15.187 1.00 62.14 H new ATOM 0 HD11 LEU A 33 4.615 -12.026 -15.430 1.00 53.41 H new ATOM 0 HD12 LEU A 33 5.097 -10.935 -16.751 1.00 53.41 H new ATOM 0 HD13 LEU A 33 6.234 -11.287 -15.429 1.00 53.41 H new ATOM 0 HD21 LEU A 33 4.128 -11.127 -13.185 1.00 4.43 H new ATOM 0 HD22 LEU A 33 5.729 -10.354 -13.094 1.00 4.43 H new ATOM 0 HD23 LEU A 33 4.257 -9.380 -12.866 1.00 4.43 H new ATOM 533 N ASN A 34 7.646 -10.529 -13.492 1.00 11.33 N ATOM 534 CA ASN A 34 8.364 -11.796 -13.433 1.00 45.25 C ATOM 535 C ASN A 34 7.416 -12.945 -13.105 1.00 40.14 C ATOM 536 O ASN A 34 6.763 -12.947 -12.061 1.00 13.44 O ATOM 537 CB ASN A 34 9.480 -11.727 -12.388 1.00 41.11 C ATOM 538 CG ASN A 34 10.080 -13.087 -12.091 1.00 35.43 C ATOM 539 OD1 ASN A 34 9.512 -13.875 -11.333 1.00 23.11 O ATOM 540 ND2 ASN A 34 11.232 -13.370 -12.688 1.00 12.55 N ATOM 0 H ASN A 34 7.223 -10.243 -12.609 1.00 11.33 H new ATOM 0 HA ASN A 34 8.804 -11.980 -14.413 1.00 45.25 H new ATOM 0 HB2 ASN A 34 10.264 -11.057 -12.741 1.00 41.11 H new ATOM 0 HB3 ASN A 34 9.085 -11.298 -11.467 1.00 41.11 H new ATOM 0 HD21 ASN A 34 11.682 -14.271 -12.526 1.00 12.55 H new ATOM 0 HD22 ASN A 34 11.666 -12.687 -13.308 1.00 12.55 H new ATOM 547 N THR A 35 7.345 -13.922 -14.003 1.00 51.35 N ATOM 548 CA THR A 35 6.477 -15.077 -13.811 1.00 52.32 C ATOM 549 C THR A 35 7.174 -16.365 -14.229 1.00 60.43 C ATOM 550 O THR A 35 8.320 -16.346 -14.674 1.00 65.03 O ATOM 551 CB THR A 35 5.167 -14.933 -14.609 1.00 10.33 C ATOM 552 OG1 THR A 35 5.458 -14.725 -15.996 1.00 30.45 O ATOM 553 CG2 THR A 35 4.335 -13.773 -14.080 1.00 71.55 C ATOM 0 H THR A 35 7.879 -13.936 -14.872 1.00 51.35 H new ATOM 0 HA THR A 35 6.243 -15.123 -12.747 1.00 52.32 H new ATOM 0 HB THR A 35 4.594 -15.853 -14.493 1.00 10.33 H new ATOM 0 HG1 THR A 35 4.620 -14.636 -16.496 1.00 30.45 H new ATOM 0 HG21 THR A 35 3.415 -13.691 -14.659 1.00 71.55 H new ATOM 0 HG22 THR A 35 4.090 -13.949 -13.033 1.00 71.55 H new ATOM 0 HG23 THR A 35 4.903 -12.847 -14.169 1.00 71.55 H new ATOM 561 N GLY A 36 6.474 -17.486 -14.083 1.00 1.13 N ATOM 562 CA GLY A 36 7.043 -18.770 -14.451 1.00 43.13 C ATOM 563 C GLY A 36 8.037 -19.278 -13.426 1.00 24.41 C ATOM 564 O GLY A 36 7.760 -19.274 -12.227 1.00 31.25 O ATOM 0 H GLY A 36 5.523 -17.528 -13.716 1.00 1.13 H new ATOM 0 HA2 GLY A 36 6.241 -19.499 -14.568 1.00 43.13 H new ATOM 0 HA3 GLY A 36 7.537 -18.681 -15.419 1.00 43.13 H new ATOM 568 N ARG A 37 9.199 -19.718 -13.898 1.00 20.43 N ATOM 569 CA ARG A 37 10.237 -20.236 -13.014 1.00 40.41 C ATOM 570 C ARG A 37 11.451 -19.311 -13.002 1.00 72.32 C ATOM 571 O ARG A 37 12.081 -19.107 -11.963 1.00 75.04 O ATOM 572 CB ARG A 37 10.656 -21.640 -13.452 1.00 1.42 C ATOM 573 CG ARG A 37 9.849 -22.748 -12.796 1.00 10.15 C ATOM 574 CD ARG A 37 8.408 -22.748 -13.279 1.00 15.20 C ATOM 575 NE ARG A 37 8.315 -22.922 -14.726 1.00 74.53 N ATOM 576 CZ ARG A 37 7.164 -23.017 -15.382 1.00 60.34 C ATOM 577 NH1 ARG A 37 6.015 -22.955 -14.726 1.00 11.23 N ATOM 578 NH2 ARG A 37 7.162 -23.175 -16.700 1.00 52.11 N ATOM 0 H ARG A 37 9.445 -19.726 -14.888 1.00 20.43 H new ATOM 0 HA ARG A 37 9.829 -20.285 -12.005 1.00 40.41 H new ATOM 0 HB2 ARG A 37 10.554 -21.720 -14.534 1.00 1.42 H new ATOM 0 HB3 ARG A 37 11.711 -21.784 -13.220 1.00 1.42 H new ATOM 0 HG2 ARG A 37 10.307 -23.712 -13.015 1.00 10.15 H new ATOM 0 HG3 ARG A 37 9.871 -22.624 -11.713 1.00 10.15 H new ATOM 0 HD2 ARG A 37 7.859 -23.548 -12.782 1.00 15.20 H new ATOM 0 HD3 ARG A 37 7.931 -21.810 -12.995 1.00 15.20 H new ATOM 0 HE ARG A 37 9.181 -22.973 -15.262 1.00 74.53 H new ATOM 0 HH11 ARG A 37 6.012 -22.834 -13.713 1.00 11.23 H new ATOM 0 HH12 ARG A 37 5.133 -23.028 -15.234 1.00 11.23 H new ATOM 0 HH21 ARG A 37 8.044 -23.223 -17.209 1.00 52.11 H new ATOM 0 HH22 ARG A 37 6.278 -23.248 -17.204 1.00 52.11 H new ATOM 592 N THR A 38 11.776 -18.753 -14.165 1.00 34.51 N ATOM 593 CA THR A 38 12.914 -17.853 -14.289 1.00 25.31 C ATOM 594 C THR A 38 13.062 -17.348 -15.719 1.00 62.35 C ATOM 595 O THR A 38 13.545 -16.240 -15.949 1.00 1.30 O ATOM 596 CB THR A 38 14.224 -18.541 -13.862 1.00 5.21 C ATOM 597 OG1 THR A 38 15.236 -17.558 -13.617 1.00 63.20 O ATOM 598 CG2 THR A 38 14.701 -19.511 -14.932 1.00 55.22 C ATOM 0 H THR A 38 11.266 -18.910 -15.034 1.00 34.51 H new ATOM 0 HA THR A 38 12.723 -17.009 -13.626 1.00 25.31 H new ATOM 0 HB THR A 38 14.032 -19.101 -12.947 1.00 5.21 H new ATOM 0 HG1 THR A 38 16.065 -18.003 -13.344 1.00 63.20 H new ATOM 0 HG21 THR A 38 15.628 -19.984 -14.607 1.00 55.22 H new ATOM 0 HG22 THR A 38 13.941 -20.275 -15.095 1.00 55.22 H new ATOM 0 HG23 THR A 38 14.877 -18.970 -15.862 1.00 55.22 H new ATOM 606 N GLU A 39 12.643 -18.168 -16.679 1.00 32.33 N ATOM 607 CA GLU A 39 12.730 -17.803 -18.087 1.00 42.11 C ATOM 608 C GLU A 39 11.369 -17.362 -18.621 1.00 25.25 C ATOM 609 O GLU A 39 11.041 -17.596 -19.783 1.00 21.53 O ATOM 610 CB GLU A 39 13.256 -18.980 -18.912 1.00 14.05 C ATOM 611 CG GLU A 39 14.705 -19.330 -18.617 1.00 4.21 C ATOM 612 CD GLU A 39 15.031 -20.778 -18.927 1.00 13.01 C ATOM 613 OE1 GLU A 39 14.635 -21.657 -18.133 1.00 70.51 O ATOM 614 OE2 GLU A 39 15.680 -21.031 -19.963 1.00 11.03 O ATOM 0 H GLU A 39 12.240 -19.089 -16.506 1.00 32.33 H new ATOM 0 HA GLU A 39 13.424 -16.968 -18.176 1.00 42.11 H new ATOM 0 HB2 GLU A 39 12.634 -19.854 -18.721 1.00 14.05 H new ATOM 0 HB3 GLU A 39 13.156 -18.744 -19.971 1.00 14.05 H new ATOM 0 HG2 GLU A 39 15.358 -18.682 -19.202 1.00 4.21 H new ATOM 0 HG3 GLU A 39 14.916 -19.131 -17.566 1.00 4.21 H new ATOM 621 N ALA A 40 10.582 -16.724 -17.761 1.00 33.34 N ATOM 622 CA ALA A 40 9.258 -16.249 -18.144 1.00 32.45 C ATOM 623 C ALA A 40 9.106 -14.759 -17.861 1.00 33.51 C ATOM 624 O ALA A 40 8.096 -14.151 -18.217 1.00 64.11 O ATOM 625 CB ALA A 40 8.183 -17.040 -17.414 1.00 74.22 C ATOM 0 H ALA A 40 10.838 -16.524 -16.794 1.00 33.34 H new ATOM 0 HA ALA A 40 9.140 -16.401 -19.217 1.00 32.45 H new ATOM 0 HB1 ALA A 40 7.199 -16.675 -17.709 1.00 74.22 H new ATOM 0 HB2 ALA A 40 8.271 -18.096 -17.671 1.00 74.22 H new ATOM 0 HB3 ALA A 40 8.308 -16.917 -16.338 1.00 74.22 H new ATOM 631 N TRP A 41 10.113 -14.178 -17.219 1.00 34.01 N ATOM 632 CA TRP A 41 10.088 -12.758 -16.887 1.00 44.15 C ATOM 633 C TRP A 41 10.204 -11.904 -18.145 1.00 63.04 C ATOM 634 O TRP A 41 11.086 -12.122 -18.978 1.00 52.20 O ATOM 635 CB TRP A 41 11.224 -12.420 -15.921 1.00 23.35 C ATOM 636 CG TRP A 41 12.576 -12.414 -16.569 1.00 32.12 C ATOM 637 CD1 TRP A 41 13.211 -13.476 -17.148 1.00 50.53 C ATOM 638 CD2 TRP A 41 13.458 -11.295 -16.702 1.00 60.55 C ATOM 639 NE1 TRP A 41 14.435 -13.083 -17.634 1.00 53.40 N ATOM 640 CE2 TRP A 41 14.609 -11.750 -17.374 1.00 44.21 C ATOM 641 CE3 TRP A 41 13.386 -9.952 -16.321 1.00 63.31 C ATOM 642 CZ2 TRP A 41 15.679 -10.909 -17.669 1.00 51.22 C ATOM 643 CZ3 TRP A 41 14.449 -9.119 -16.616 1.00 53.10 C ATOM 644 CH2 TRP A 41 15.582 -9.599 -17.285 1.00 51.02 C ATOM 0 H TRP A 41 10.956 -14.667 -16.918 1.00 34.01 H new ATOM 0 HA TRP A 41 9.134 -12.538 -16.407 1.00 44.15 H new ATOM 0 HB2 TRP A 41 11.037 -11.441 -15.480 1.00 23.35 H new ATOM 0 HB3 TRP A 41 11.224 -13.143 -15.105 1.00 23.35 H new ATOM 0 HD1 TRP A 41 12.810 -14.477 -17.214 1.00 50.53 H new ATOM 0 HE1 TRP A 41 15.105 -13.686 -18.111 1.00 53.40 H new ATOM 0 HE3 TRP A 41 12.516 -9.572 -15.806 1.00 63.31 H new ATOM 0 HZ2 TRP A 41 16.555 -11.278 -18.183 1.00 51.22 H new ATOM 0 HZ3 TRP A 41 14.405 -8.080 -16.325 1.00 53.10 H new ATOM 0 HH2 TRP A 41 16.395 -8.922 -17.502 1.00 51.02 H new ATOM 655 N LYS A 42 9.311 -10.930 -18.278 1.00 43.15 N ATOM 656 CA LYS A 42 9.314 -10.041 -19.434 1.00 52.52 C ATOM 657 C LYS A 42 9.091 -8.593 -19.007 1.00 40.44 C ATOM 658 O LYS A 42 8.573 -8.328 -17.923 1.00 52.31 O ATOM 659 CB LYS A 42 8.230 -10.462 -20.430 1.00 5.40 C ATOM 660 CG LYS A 42 7.508 -11.738 -20.038 1.00 74.41 C ATOM 661 CD LYS A 42 6.537 -11.502 -18.893 1.00 41.54 C ATOM 662 CE LYS A 42 5.124 -11.262 -19.402 1.00 14.34 C ATOM 663 NZ LYS A 42 5.075 -10.168 -20.412 1.00 23.14 N ATOM 0 H LYS A 42 8.575 -10.736 -17.599 1.00 43.15 H new ATOM 0 HA LYS A 42 10.289 -10.114 -19.915 1.00 52.52 H new ATOM 0 HB2 LYS A 42 7.502 -9.656 -20.524 1.00 5.40 H new ATOM 0 HB3 LYS A 42 8.683 -10.598 -21.412 1.00 5.40 H new ATOM 0 HG2 LYS A 42 6.967 -12.130 -20.899 1.00 74.41 H new ATOM 0 HG3 LYS A 42 8.237 -12.495 -19.748 1.00 74.41 H new ATOM 0 HD2 LYS A 42 6.543 -12.364 -18.226 1.00 41.54 H new ATOM 0 HD3 LYS A 42 6.865 -10.643 -18.307 1.00 41.54 H new ATOM 0 HE2 LYS A 42 4.736 -12.180 -19.843 1.00 14.34 H new ATOM 0 HE3 LYS A 42 4.474 -11.011 -18.564 1.00 14.34 H new ATOM 0 HZ1 LYS A 42 4.115 -9.771 -20.447 1.00 23.14 H new ATOM 0 HZ2 LYS A 42 5.749 -9.421 -20.148 1.00 23.14 H new ATOM 0 HZ3 LYS A 42 5.327 -10.547 -21.347 1.00 23.14 H new ATOM 677 N VAL A 43 9.486 -7.660 -19.868 1.00 71.31 N ATOM 678 CA VAL A 43 9.328 -6.239 -19.581 1.00 34.11 C ATOM 679 C VAL A 43 8.013 -5.709 -20.143 1.00 41.31 C ATOM 680 O VAL A 43 7.764 -5.787 -21.347 1.00 23.21 O ATOM 681 CB VAL A 43 10.492 -5.416 -20.162 1.00 54.20 C ATOM 682 CG1 VAL A 43 10.282 -3.933 -19.897 1.00 40.01 C ATOM 683 CG2 VAL A 43 11.818 -5.887 -19.583 1.00 55.15 C ATOM 0 H VAL A 43 9.918 -7.863 -20.770 1.00 71.31 H new ATOM 0 HA VAL A 43 9.325 -6.133 -18.496 1.00 34.11 H new ATOM 0 HB VAL A 43 10.518 -5.567 -21.241 1.00 54.20 H new ATOM 0 HG11 VAL A 43 11.115 -3.367 -20.315 1.00 40.01 H new ATOM 0 HG12 VAL A 43 9.352 -3.608 -20.364 1.00 40.01 H new ATOM 0 HG13 VAL A 43 10.229 -3.759 -18.822 1.00 40.01 H new ATOM 0 HG21 VAL A 43 12.630 -5.295 -20.005 1.00 55.15 H new ATOM 0 HG22 VAL A 43 11.805 -5.767 -18.500 1.00 55.15 H new ATOM 0 HG23 VAL A 43 11.970 -6.938 -19.829 1.00 55.15 H new ATOM 693 N LEU A 44 7.176 -5.167 -19.266 1.00 4.30 N ATOM 694 CA LEU A 44 5.887 -4.621 -19.674 1.00 32.32 C ATOM 695 C LEU A 44 6.012 -3.147 -20.044 1.00 72.05 C ATOM 696 O LEU A 44 6.807 -2.414 -19.457 1.00 22.45 O ATOM 697 CB LEU A 44 4.860 -4.792 -18.553 1.00 2.14 C ATOM 698 CG LEU A 44 4.267 -6.191 -18.393 1.00 21.52 C ATOM 699 CD1 LEU A 44 3.404 -6.267 -17.143 1.00 14.23 C ATOM 700 CD2 LEU A 44 3.458 -6.572 -19.625 1.00 62.44 C ATOM 0 H LEU A 44 7.367 -5.094 -18.267 1.00 4.30 H new ATOM 0 HA LEU A 44 5.550 -5.170 -20.554 1.00 32.32 H new ATOM 0 HB2 LEU A 44 5.330 -4.509 -17.611 1.00 2.14 H new ATOM 0 HB3 LEU A 44 4.044 -4.091 -18.726 1.00 2.14 H new ATOM 0 HG LEU A 44 5.087 -6.901 -18.287 1.00 21.52 H new ATOM 0 HD11 LEU A 44 2.991 -7.271 -17.047 1.00 14.23 H new ATOM 0 HD12 LEU A 44 4.011 -6.039 -16.267 1.00 14.23 H new ATOM 0 HD13 LEU A 44 2.590 -5.545 -17.218 1.00 14.23 H new ATOM 0 HD21 LEU A 44 3.043 -7.571 -19.493 1.00 62.44 H new ATOM 0 HD22 LEU A 44 2.646 -5.858 -19.763 1.00 62.44 H new ATOM 0 HD23 LEU A 44 4.104 -6.560 -20.503 1.00 62.44 H new ATOM 712 N SER A 45 5.219 -2.718 -21.022 1.00 72.11 N ATOM 713 CA SER A 45 5.243 -1.332 -21.472 1.00 54.40 C ATOM 714 C SER A 45 3.844 -0.722 -21.428 1.00 24.45 C ATOM 715 O SER A 45 2.835 -1.425 -21.359 1.00 3.45 O ATOM 716 CB SER A 45 5.805 -1.243 -22.892 1.00 52.12 C ATOM 717 OG SER A 45 7.141 -0.771 -22.884 1.00 32.34 O ATOM 0 H SER A 45 4.553 -3.311 -21.517 1.00 72.11 H new ATOM 0 HA SER A 45 5.888 -0.769 -20.798 1.00 54.40 H new ATOM 0 HB2 SER A 45 5.766 -2.225 -23.364 1.00 52.12 H new ATOM 0 HB3 SER A 45 5.184 -0.576 -23.491 1.00 52.12 H new ATOM 0 HG SER A 45 7.477 -0.725 -23.803 1.00 32.34 H new ATOM 723 N PRO A 46 3.781 0.616 -21.467 1.00 51.44 N ATOM 724 CA PRO A 46 2.514 1.351 -21.433 1.00 75.33 C ATOM 725 C PRO A 46 1.708 1.177 -22.717 1.00 3.42 C ATOM 726 O PRO A 46 0.621 1.736 -22.858 1.00 70.40 O ATOM 727 CB PRO A 46 2.951 2.809 -21.272 1.00 3.22 C ATOM 728 CG PRO A 46 4.327 2.856 -21.843 1.00 51.44 C ATOM 729 CD PRO A 46 4.943 1.517 -21.550 1.00 62.52 C ATOM 0 HA PRO A 46 1.861 0.997 -20.635 1.00 75.33 H new ATOM 0 HB2 PRO A 46 2.279 3.485 -21.801 1.00 3.22 H new ATOM 0 HB3 PRO A 46 2.946 3.111 -20.225 1.00 3.22 H new ATOM 0 HG2 PRO A 46 4.298 3.046 -22.916 1.00 51.44 H new ATOM 0 HG3 PRO A 46 4.909 3.660 -21.393 1.00 51.44 H new ATOM 0 HD2 PRO A 46 5.633 1.211 -22.337 1.00 62.52 H new ATOM 0 HD3 PRO A 46 5.508 1.530 -20.618 1.00 62.52 H new ATOM 737 N GLN A 47 2.249 0.399 -23.649 1.00 70.40 N ATOM 738 CA GLN A 47 1.579 0.153 -24.920 1.00 64.44 C ATOM 739 C GLN A 47 1.288 -1.333 -25.103 1.00 32.21 C ATOM 740 O GLN A 47 2.100 -2.072 -25.660 1.00 75.21 O ATOM 741 CB GLN A 47 2.438 0.662 -26.080 1.00 42.10 C ATOM 742 CG GLN A 47 1.721 0.645 -27.420 1.00 71.23 C ATOM 743 CD GLN A 47 0.650 1.712 -27.523 1.00 53.34 C ATOM 744 OE1 GLN A 47 0.941 2.908 -27.466 1.00 20.40 O ATOM 745 NE2 GLN A 47 -0.599 1.286 -27.676 1.00 43.42 N ATOM 0 H GLN A 47 3.148 -0.071 -23.548 1.00 70.40 H new ATOM 0 HA GLN A 47 0.632 0.693 -24.913 1.00 64.44 H new ATOM 0 HB2 GLN A 47 2.761 1.680 -25.863 1.00 42.10 H new ATOM 0 HB3 GLN A 47 3.338 0.051 -26.151 1.00 42.10 H new ATOM 0 HG2 GLN A 47 2.449 0.788 -28.219 1.00 71.23 H new ATOM 0 HG3 GLN A 47 1.268 -0.335 -27.573 1.00 71.23 H new ATOM 0 HE21 GLN A 47 -0.795 0.286 -27.718 1.00 43.42 H new ATOM 0 HE22 GLN A 47 -1.362 1.959 -27.751 1.00 43.42 H new ATOM 754 N GLY A 48 0.123 -1.766 -24.628 1.00 42.42 N ATOM 755 CA GLY A 48 -0.254 -3.162 -24.748 1.00 52.35 C ATOM 756 C GLY A 48 -1.261 -3.397 -25.856 1.00 54.20 C ATOM 757 O GLY A 48 -1.752 -4.511 -26.034 1.00 42.22 O ATOM 0 H GLY A 48 -0.566 -1.175 -24.163 1.00 42.42 H new ATOM 0 HA2 GLY A 48 0.637 -3.761 -24.938 1.00 52.35 H new ATOM 0 HA3 GLY A 48 -0.673 -3.505 -23.802 1.00 52.35 H new ATOM 761 N GLY A 49 -1.573 -2.342 -26.604 1.00 73.42 N ATOM 762 CA GLY A 49 -2.529 -2.460 -27.690 1.00 40.33 C ATOM 763 C GLY A 49 -2.110 -3.486 -28.723 1.00 61.12 C ATOM 764 O GLY A 49 -1.253 -3.217 -29.564 1.00 21.42 O ATOM 0 H GLY A 49 -1.181 -1.409 -26.477 1.00 73.42 H new ATOM 0 HA2 GLY A 49 -3.503 -2.734 -27.284 1.00 40.33 H new ATOM 0 HA3 GLY A 49 -2.647 -1.490 -28.173 1.00 40.33 H new ATOM 768 N GLY A 50 -2.715 -4.669 -28.660 1.00 15.11 N ATOM 769 CA GLY A 50 -2.386 -5.722 -29.602 1.00 64.31 C ATOM 770 C GLY A 50 -2.053 -7.031 -28.914 1.00 33.02 C ATOM 771 O GLY A 50 -2.814 -7.998 -28.972 1.00 64.02 O ATOM 0 H GLY A 50 -3.427 -4.916 -27.973 1.00 15.11 H new ATOM 0 HA2 GLY A 50 -3.226 -5.875 -30.280 1.00 64.31 H new ATOM 0 HA3 GLY A 50 -1.538 -5.409 -30.211 1.00 64.31 H new ATOM 775 N PRO A 51 -0.891 -7.075 -28.245 1.00 73.53 N ATOM 776 CA PRO A 51 -0.432 -8.270 -27.532 1.00 35.44 C ATOM 777 C PRO A 51 -1.270 -8.562 -26.292 1.00 2.14 C ATOM 778 O PRO A 51 -1.009 -9.522 -25.566 1.00 74.11 O ATOM 779 CB PRO A 51 1.004 -7.919 -27.137 1.00 31.25 C ATOM 780 CG PRO A 51 1.027 -6.431 -27.079 1.00 45.20 C ATOM 781 CD PRO A 51 0.064 -5.960 -28.135 1.00 3.15 C ATOM 0 HA PRO A 51 -0.512 -9.167 -28.146 1.00 35.44 H new ATOM 0 HB2 PRO A 51 1.268 -8.357 -26.174 1.00 31.25 H new ATOM 0 HB3 PRO A 51 1.719 -8.298 -27.867 1.00 31.25 H new ATOM 0 HG2 PRO A 51 0.730 -6.074 -26.093 1.00 45.20 H new ATOM 0 HG3 PRO A 51 2.030 -6.049 -27.267 1.00 45.20 H new ATOM 0 HD2 PRO A 51 -0.431 -5.034 -27.843 1.00 3.15 H new ATOM 0 HD3 PRO A 51 0.568 -5.767 -29.082 1.00 3.15 H new ATOM 789 N TRP A 52 -2.276 -7.729 -26.053 1.00 55.44 N ATOM 790 CA TRP A 52 -3.153 -7.898 -24.900 1.00 3.32 C ATOM 791 C TRP A 52 -3.682 -9.325 -24.824 1.00 0.23 C ATOM 792 O TRP A 52 -3.852 -9.876 -23.736 1.00 34.24 O ATOM 793 CB TRP A 52 -4.319 -6.911 -24.970 1.00 3.51 C ATOM 794 CG TRP A 52 -5.348 -7.279 -25.995 1.00 60.12 C ATOM 795 CD1 TRP A 52 -5.241 -7.143 -27.350 1.00 32.03 C ATOM 796 CD2 TRP A 52 -6.641 -7.842 -25.747 1.00 44.23 C ATOM 797 NE1 TRP A 52 -6.389 -7.588 -27.959 1.00 31.25 N ATOM 798 CE2 TRP A 52 -7.263 -8.023 -26.997 1.00 54.24 C ATOM 799 CE3 TRP A 52 -7.332 -8.213 -24.591 1.00 15.22 C ATOM 800 CZ2 TRP A 52 -8.544 -8.557 -27.121 1.00 5.52 C ATOM 801 CZ3 TRP A 52 -8.603 -8.742 -24.714 1.00 71.35 C ATOM 802 CH2 TRP A 52 -9.197 -8.910 -25.972 1.00 51.05 C ATOM 0 H TRP A 52 -2.505 -6.929 -26.643 1.00 55.44 H new ATOM 0 HA TRP A 52 -2.571 -7.698 -24.000 1.00 3.32 H new ATOM 0 HB2 TRP A 52 -4.796 -6.853 -23.992 1.00 3.51 H new ATOM 0 HB3 TRP A 52 -3.932 -5.917 -25.195 1.00 3.51 H new ATOM 0 HD1 TRP A 52 -4.380 -6.744 -27.866 1.00 32.03 H new ATOM 0 HE1 TRP A 52 -6.563 -7.594 -28.964 1.00 31.25 H new ATOM 0 HE3 TRP A 52 -6.881 -8.089 -23.618 1.00 15.22 H new ATOM 0 HZ2 TRP A 52 -9.005 -8.687 -28.089 1.00 5.52 H new ATOM 0 HZ3 TRP A 52 -9.147 -9.030 -23.827 1.00 71.35 H new ATOM 0 HH2 TRP A 52 -10.191 -9.327 -26.036 1.00 51.05 H new ATOM 813 N ASP A 53 -3.943 -9.918 -25.984 1.00 24.02 N ATOM 814 CA ASP A 53 -4.452 -11.282 -26.047 1.00 74.42 C ATOM 815 C ASP A 53 -3.410 -12.276 -25.544 1.00 53.31 C ATOM 816 O ASP A 53 -3.750 -13.360 -25.069 1.00 14.05 O ATOM 817 CB ASP A 53 -4.857 -11.632 -27.481 1.00 51.12 C ATOM 818 CG ASP A 53 -5.698 -12.891 -27.555 1.00 2.25 C ATOM 819 OD1 ASP A 53 -6.180 -13.345 -26.496 1.00 43.54 O ATOM 820 OD2 ASP A 53 -5.872 -13.424 -28.670 1.00 44.25 O ATOM 0 H ASP A 53 -3.810 -9.475 -26.893 1.00 24.02 H new ATOM 0 HA ASP A 53 -5.329 -11.346 -25.403 1.00 74.42 H new ATOM 0 HB2 ASP A 53 -5.415 -10.800 -27.911 1.00 51.12 H new ATOM 0 HB3 ASP A 53 -3.960 -11.762 -28.087 1.00 51.12 H new ATOM 825 N SER A 54 -2.141 -11.899 -25.653 1.00 25.44 N ATOM 826 CA SER A 54 -1.048 -12.760 -25.212 1.00 41.33 C ATOM 827 C SER A 54 -0.682 -12.473 -23.759 1.00 2.03 C ATOM 828 O SER A 54 -0.437 -13.391 -22.976 1.00 14.11 O ATOM 829 CB SER A 54 0.177 -12.562 -26.107 1.00 62.41 C ATOM 830 OG SER A 54 -0.147 -11.795 -27.254 1.00 33.52 O ATOM 0 H SER A 54 -1.843 -11.004 -26.042 1.00 25.44 H new ATOM 0 HA SER A 54 -1.381 -13.795 -25.286 1.00 41.33 H new ATOM 0 HB2 SER A 54 0.966 -12.064 -25.544 1.00 62.41 H new ATOM 0 HB3 SER A 54 0.568 -13.532 -26.413 1.00 62.41 H new ATOM 0 HG SER A 54 0.653 -11.681 -27.808 1.00 33.52 H new ATOM 836 N VAL A 55 -0.647 -11.192 -23.406 1.00 73.01 N ATOM 837 CA VAL A 55 -0.312 -10.783 -22.047 1.00 12.11 C ATOM 838 C VAL A 55 -1.413 -9.915 -21.448 1.00 34.02 C ATOM 839 O VAL A 55 -2.419 -10.425 -20.954 1.00 0.24 O ATOM 840 CB VAL A 55 1.017 -10.006 -22.006 1.00 55.34 C ATOM 841 CG1 VAL A 55 2.188 -10.960 -21.832 1.00 43.14 C ATOM 842 CG2 VAL A 55 1.183 -9.169 -23.265 1.00 61.33 C ATOM 0 H VAL A 55 -0.846 -10.420 -24.042 1.00 73.01 H new ATOM 0 HA VAL A 55 -0.210 -11.695 -21.458 1.00 12.11 H new ATOM 0 HB VAL A 55 0.998 -9.332 -21.149 1.00 55.34 H new ATOM 0 HG11 VAL A 55 3.118 -10.393 -21.805 1.00 43.14 H new ATOM 0 HG12 VAL A 55 2.072 -11.512 -20.899 1.00 43.14 H new ATOM 0 HG13 VAL A 55 2.214 -11.660 -22.667 1.00 43.14 H new ATOM 0 HG21 VAL A 55 2.127 -8.627 -23.219 1.00 61.33 H new ATOM 0 HG22 VAL A 55 1.181 -9.821 -24.138 1.00 61.33 H new ATOM 0 HG23 VAL A 55 0.360 -8.459 -23.341 1.00 61.33 H new ATOM 852 N ALA A 56 -1.217 -8.602 -21.496 1.00 12.31 N ATOM 853 CA ALA A 56 -2.195 -7.663 -20.960 1.00 64.21 C ATOM 854 C ALA A 56 -1.902 -6.241 -21.424 1.00 52.45 C ATOM 855 O ALA A 56 -0.914 -5.994 -22.115 1.00 24.14 O ATOM 856 CB ALA A 56 -2.213 -7.731 -19.440 1.00 11.21 C ATOM 0 H ALA A 56 -0.390 -8.164 -21.901 1.00 12.31 H new ATOM 0 HA ALA A 56 -3.178 -7.945 -21.337 1.00 64.21 H new ATOM 0 HB1 ALA A 56 -2.948 -7.025 -19.053 1.00 11.21 H new ATOM 0 HB2 ALA A 56 -2.478 -8.740 -19.124 1.00 11.21 H new ATOM 0 HB3 ALA A 56 -1.226 -7.477 -19.053 1.00 11.21 H new ATOM 862 N ARG A 57 -2.769 -5.308 -21.042 1.00 23.31 N ATOM 863 CA ARG A 57 -2.604 -3.911 -21.421 1.00 51.45 C ATOM 864 C ARG A 57 -2.278 -3.051 -20.204 1.00 34.24 C ATOM 865 O ARG A 57 -2.518 -3.453 -19.064 1.00 53.02 O ATOM 866 CB ARG A 57 -3.872 -3.391 -22.101 1.00 72.11 C ATOM 867 CG ARG A 57 -4.183 -4.082 -23.419 1.00 40.24 C ATOM 868 CD ARG A 57 -5.649 -4.474 -23.510 1.00 52.11 C ATOM 869 NE ARG A 57 -6.536 -3.341 -23.261 1.00 10.53 N ATOM 870 CZ ARG A 57 -7.859 -3.442 -23.200 1.00 5.44 C ATOM 871 NH1 ARG A 57 -8.445 -4.618 -23.370 1.00 35.30 N ATOM 872 NH2 ARG A 57 -8.597 -2.364 -22.968 1.00 13.32 N ATOM 0 H ARG A 57 -3.593 -5.495 -20.470 1.00 23.31 H new ATOM 0 HA ARG A 57 -1.772 -3.848 -22.122 1.00 51.45 H new ATOM 0 HB2 ARG A 57 -4.716 -3.521 -21.424 1.00 72.11 H new ATOM 0 HB3 ARG A 57 -3.767 -2.321 -22.278 1.00 72.11 H new ATOM 0 HG2 ARG A 57 -3.930 -3.420 -24.247 1.00 40.24 H new ATOM 0 HG3 ARG A 57 -3.561 -4.971 -23.521 1.00 40.24 H new ATOM 0 HD2 ARG A 57 -5.854 -4.884 -24.499 1.00 52.11 H new ATOM 0 HD3 ARG A 57 -5.858 -5.264 -22.788 1.00 52.11 H new ATOM 0 HE ARG A 57 -6.116 -2.421 -23.126 1.00 10.53 H new ATOM 0 HH11 ARG A 57 -7.880 -5.448 -23.548 1.00 35.30 H new ATOM 0 HH12 ARG A 57 -9.461 -4.693 -23.323 1.00 35.30 H new ATOM 0 HH21 ARG A 57 -8.148 -1.457 -22.836 1.00 13.32 H new ATOM 0 HH22 ARG A 57 -9.613 -2.442 -22.921 1.00 13.32 H new ATOM 886 N VAL A 58 -1.730 -1.866 -20.451 1.00 41.24 N ATOM 887 CA VAL A 58 -1.372 -0.949 -19.375 1.00 54.45 C ATOM 888 C VAL A 58 -2.270 0.283 -19.381 1.00 15.14 C ATOM 889 O VAL A 58 -2.431 0.943 -20.408 1.00 4.43 O ATOM 890 CB VAL A 58 0.097 -0.500 -19.486 1.00 41.21 C ATOM 891 CG1 VAL A 58 0.361 0.693 -18.579 1.00 54.05 C ATOM 892 CG2 VAL A 58 1.033 -1.651 -19.151 1.00 55.12 C ATOM 0 H VAL A 58 -1.524 -1.518 -21.387 1.00 41.24 H new ATOM 0 HA VAL A 58 -1.509 -1.491 -18.439 1.00 54.45 H new ATOM 0 HB VAL A 58 0.288 -0.194 -20.515 1.00 41.21 H new ATOM 0 HG11 VAL A 58 1.404 0.996 -18.671 1.00 54.05 H new ATOM 0 HG12 VAL A 58 -0.285 1.521 -18.870 1.00 54.05 H new ATOM 0 HG13 VAL A 58 0.153 0.417 -17.545 1.00 54.05 H new ATOM 0 HG21 VAL A 58 2.067 -1.316 -19.235 1.00 55.12 H new ATOM 0 HG22 VAL A 58 0.843 -1.990 -18.133 1.00 55.12 H new ATOM 0 HG23 VAL A 58 0.861 -2.474 -19.845 1.00 55.12 H new ATOM 902 N LEU A 59 -2.855 0.587 -18.228 1.00 12.13 N ATOM 903 CA LEU A 59 -3.738 1.741 -18.098 1.00 72.11 C ATOM 904 C LEU A 59 -2.953 3.043 -18.213 1.00 70.14 C ATOM 905 O LEU A 59 -1.745 3.090 -17.983 1.00 3.43 O ATOM 906 CB LEU A 59 -4.477 1.694 -16.760 1.00 2.34 C ATOM 907 CG LEU A 59 -5.327 0.449 -16.504 1.00 60.25 C ATOM 908 CD1 LEU A 59 -6.219 0.651 -15.290 1.00 32.34 C ATOM 909 CD2 LEU A 59 -6.161 0.111 -17.731 1.00 42.22 C ATOM 0 H LEU A 59 -2.734 0.050 -17.369 1.00 12.13 H new ATOM 0 HA LEU A 59 -4.465 1.704 -18.909 1.00 72.11 H new ATOM 0 HB2 LEU A 59 -3.742 1.778 -15.959 1.00 2.34 H new ATOM 0 HB3 LEU A 59 -5.123 2.570 -16.694 1.00 2.34 H new ATOM 0 HG LEU A 59 -4.659 -0.388 -16.302 1.00 60.25 H new ATOM 0 HD11 LEU A 59 -6.816 -0.246 -15.124 1.00 32.34 H new ATOM 0 HD12 LEU A 59 -5.601 0.843 -14.413 1.00 32.34 H new ATOM 0 HD13 LEU A 59 -6.880 1.501 -15.462 1.00 32.34 H new ATOM 0 HD21 LEU A 59 -6.759 -0.778 -17.531 1.00 42.22 H new ATOM 0 HD22 LEU A 59 -6.820 0.947 -17.965 1.00 42.22 H new ATOM 0 HD23 LEU A 59 -5.502 -0.079 -18.578 1.00 42.22 H new ATOM 921 N PRO A 60 -3.655 4.126 -18.579 1.00 4.34 N ATOM 922 CA PRO A 60 -3.044 5.451 -18.730 1.00 3.14 C ATOM 923 C PRO A 60 -2.623 6.051 -17.394 1.00 11.35 C ATOM 924 O PRO A 60 -1.751 6.917 -17.339 1.00 2.54 O ATOM 925 CB PRO A 60 -4.160 6.285 -19.364 1.00 3.24 C ATOM 926 CG PRO A 60 -5.420 5.610 -18.949 1.00 33.44 C ATOM 927 CD PRO A 60 -5.098 4.143 -18.869 1.00 51.43 C ATOM 0 HA PRO A 60 -2.131 5.414 -19.324 1.00 3.14 H new ATOM 0 HB2 PRO A 60 -4.130 7.317 -19.014 1.00 3.24 H new ATOM 0 HB3 PRO A 60 -4.065 6.313 -20.449 1.00 3.24 H new ATOM 0 HG2 PRO A 60 -5.765 5.987 -17.986 1.00 33.44 H new ATOM 0 HG3 PRO A 60 -6.217 5.796 -19.669 1.00 33.44 H new ATOM 0 HD2 PRO A 60 -5.671 3.648 -18.085 1.00 51.43 H new ATOM 0 HD3 PRO A 60 -5.326 3.630 -19.803 1.00 51.43 H new ATOM 935 N ASN A 61 -3.249 5.586 -16.317 1.00 24.31 N ATOM 936 CA ASN A 61 -2.939 6.078 -14.979 1.00 64.14 C ATOM 937 C ASN A 61 -1.724 5.357 -14.403 1.00 31.43 C ATOM 938 O ASN A 61 -1.316 5.614 -13.271 1.00 33.44 O ATOM 939 CB ASN A 61 -4.143 5.894 -14.054 1.00 22.25 C ATOM 940 CG ASN A 61 -4.699 4.485 -14.102 1.00 31.23 C ATOM 941 OD1 ASN A 61 -5.348 4.094 -15.072 1.00 71.24 O ATOM 942 ND2 ASN A 61 -4.447 3.712 -13.051 1.00 54.41 N ATOM 0 H ASN A 61 -3.974 4.869 -16.345 1.00 24.31 H new ATOM 0 HA ASN A 61 -2.707 7.140 -15.053 1.00 64.14 H new ATOM 0 HB2 ASN A 61 -3.851 6.132 -13.031 1.00 22.25 H new ATOM 0 HB3 ASN A 61 -4.925 6.600 -14.335 1.00 22.25 H new ATOM 0 HD21 ASN A 61 -4.796 2.754 -13.027 1.00 54.41 H new ATOM 0 HD22 ASN A 61 -3.905 4.077 -12.268 1.00 54.41 H new ATOM 949 N GLY A 62 -1.152 4.451 -15.189 1.00 65.34 N ATOM 950 CA GLY A 62 0.011 3.707 -14.740 1.00 62.40 C ATOM 951 C GLY A 62 -0.361 2.390 -14.085 1.00 53.53 C ATOM 952 O GLY A 62 0.362 1.892 -13.223 1.00 54.21 O ATOM 0 H GLY A 62 -1.473 4.218 -16.129 1.00 65.34 H new ATOM 0 HA2 GLY A 62 0.666 3.515 -15.590 1.00 62.40 H new ATOM 0 HA3 GLY A 62 0.576 4.314 -14.033 1.00 62.40 H new ATOM 956 N SER A 63 -1.494 1.828 -14.494 1.00 1.24 N ATOM 957 CA SER A 63 -1.964 0.564 -13.936 1.00 52.31 C ATOM 958 C SER A 63 -1.849 -0.558 -14.964 1.00 32.05 C ATOM 959 O SER A 63 -1.456 -0.331 -16.108 1.00 14.23 O ATOM 960 CB SER A 63 -3.415 0.698 -13.469 1.00 31.05 C ATOM 961 OG SER A 63 -3.478 1.127 -12.120 1.00 53.32 O ATOM 0 H SER A 63 -2.103 2.227 -15.209 1.00 1.24 H new ATOM 0 HA SER A 63 -1.336 0.315 -13.080 1.00 52.31 H new ATOM 0 HB2 SER A 63 -3.941 1.410 -14.105 1.00 31.05 H new ATOM 0 HB3 SER A 63 -3.924 -0.260 -13.574 1.00 31.05 H new ATOM 0 HG SER A 63 -4.400 1.054 -11.796 1.00 53.32 H new ATOM 967 N LEU A 64 -2.196 -1.771 -14.545 1.00 44.45 N ATOM 968 CA LEU A 64 -2.133 -2.931 -15.427 1.00 63.12 C ATOM 969 C LEU A 64 -3.440 -3.716 -15.388 1.00 62.31 C ATOM 970 O LEU A 64 -3.939 -4.058 -14.316 1.00 72.25 O ATOM 971 CB LEU A 64 -0.967 -3.837 -15.028 1.00 12.15 C ATOM 972 CG LEU A 64 -1.047 -5.286 -15.510 1.00 73.11 C ATOM 973 CD1 LEU A 64 -1.242 -5.337 -17.017 1.00 41.25 C ATOM 974 CD2 LEU A 64 0.202 -6.053 -15.105 1.00 22.35 C ATOM 0 H LEU A 64 -2.523 -1.976 -13.601 1.00 44.45 H new ATOM 0 HA LEU A 64 -1.975 -2.575 -16.445 1.00 63.12 H new ATOM 0 HB2 LEU A 64 -0.045 -3.398 -15.410 1.00 12.15 H new ATOM 0 HB3 LEU A 64 -0.891 -3.841 -13.941 1.00 12.15 H new ATOM 0 HG LEU A 64 -1.908 -5.759 -15.037 1.00 73.11 H new ATOM 0 HD11 LEU A 64 -1.297 -6.376 -17.342 1.00 41.25 H new ATOM 0 HD12 LEU A 64 -2.167 -4.825 -17.282 1.00 41.25 H new ATOM 0 HD13 LEU A 64 -0.402 -4.847 -17.509 1.00 41.25 H new ATOM 0 HD21 LEU A 64 0.127 -7.082 -15.457 1.00 22.35 H new ATOM 0 HD22 LEU A 64 1.079 -5.581 -15.549 1.00 22.35 H new ATOM 0 HD23 LEU A 64 0.297 -6.047 -14.019 1.00 22.35 H new ATOM 986 N PHE A 65 -3.987 -4.002 -16.565 1.00 13.44 N ATOM 987 CA PHE A 65 -5.236 -4.748 -16.665 1.00 72.41 C ATOM 988 C PHE A 65 -5.060 -5.988 -17.537 1.00 72.44 C ATOM 989 O PHE A 65 -4.547 -5.907 -18.654 1.00 61.42 O ATOM 990 CB PHE A 65 -6.341 -3.860 -17.240 1.00 32.51 C ATOM 991 CG PHE A 65 -7.561 -4.624 -17.672 1.00 5.21 C ATOM 992 CD1 PHE A 65 -8.097 -5.614 -16.863 1.00 42.31 C ATOM 993 CD2 PHE A 65 -8.171 -4.352 -18.885 1.00 73.30 C ATOM 994 CE1 PHE A 65 -9.218 -6.318 -17.257 1.00 74.33 C ATOM 995 CE2 PHE A 65 -9.294 -5.053 -19.285 1.00 0.13 C ATOM 996 CZ PHE A 65 -9.817 -6.038 -18.470 1.00 30.33 C ATOM 0 H PHE A 65 -3.585 -3.729 -17.462 1.00 13.44 H new ATOM 0 HA PHE A 65 -5.521 -5.067 -15.662 1.00 72.41 H new ATOM 0 HB2 PHE A 65 -6.630 -3.123 -16.491 1.00 32.51 H new ATOM 0 HB3 PHE A 65 -5.946 -3.309 -18.094 1.00 32.51 H new ATOM 0 HD1 PHE A 65 -7.633 -5.837 -15.914 1.00 42.31 H new ATOM 0 HD2 PHE A 65 -7.765 -3.584 -19.526 1.00 73.30 H new ATOM 0 HE1 PHE A 65 -9.626 -7.087 -16.617 1.00 74.33 H new ATOM 0 HE2 PHE A 65 -9.761 -4.831 -20.233 1.00 0.13 H new ATOM 0 HZ PHE A 65 -10.693 -6.588 -18.781 1.00 30.33 H new ATOM 1006 N LEU A 66 -5.487 -7.135 -17.018 1.00 52.44 N ATOM 1007 CA LEU A 66 -5.376 -8.393 -17.749 1.00 3.14 C ATOM 1008 C LEU A 66 -6.754 -8.982 -18.030 1.00 13.22 C ATOM 1009 O LEU A 66 -7.603 -9.091 -17.145 1.00 1.03 O ATOM 1010 CB LEU A 66 -4.534 -9.393 -16.955 1.00 22.11 C ATOM 1011 CG LEU A 66 -3.156 -8.903 -16.507 1.00 70.32 C ATOM 1012 CD1 LEU A 66 -3.142 -8.649 -15.008 1.00 25.22 C ATOM 1013 CD2 LEU A 66 -2.082 -9.912 -16.888 1.00 72.24 C ATOM 0 H LEU A 66 -5.913 -7.220 -16.095 1.00 52.44 H new ATOM 0 HA LEU A 66 -4.887 -8.190 -18.702 1.00 3.14 H new ATOM 0 HB2 LEU A 66 -5.097 -9.690 -16.070 1.00 22.11 H new ATOM 0 HB3 LEU A 66 -4.400 -10.288 -17.563 1.00 22.11 H new ATOM 0 HG LEU A 66 -2.942 -7.964 -17.017 1.00 70.32 H new ATOM 0 HD11 LEU A 66 -2.154 -8.301 -14.707 1.00 25.22 H new ATOM 0 HD12 LEU A 66 -3.885 -7.891 -14.761 1.00 25.22 H new ATOM 0 HD13 LEU A 66 -3.377 -9.573 -14.480 1.00 25.22 H new ATOM 0 HD21 LEU A 66 -1.108 -9.547 -16.562 1.00 72.24 H new ATOM 0 HD22 LEU A 66 -2.292 -10.867 -16.406 1.00 72.24 H new ATOM 0 HD23 LEU A 66 -2.076 -10.046 -17.970 1.00 72.24 H new ATOM 1025 N PRO A 67 -6.984 -9.373 -19.292 1.00 71.54 N ATOM 1026 CA PRO A 67 -8.258 -9.960 -19.720 1.00 64.10 C ATOM 1027 C PRO A 67 -8.474 -11.355 -19.144 1.00 34.42 C ATOM 1028 O PRO A 67 -9.606 -11.758 -18.877 1.00 55.02 O ATOM 1029 CB PRO A 67 -8.125 -10.025 -21.244 1.00 24.05 C ATOM 1030 CG PRO A 67 -6.657 -10.082 -21.493 1.00 75.52 C ATOM 1031 CD PRO A 67 -6.019 -9.273 -20.399 1.00 40.15 C ATOM 0 HA PRO A 67 -9.112 -9.375 -19.378 1.00 64.10 H new ATOM 0 HB2 PRO A 67 -8.630 -10.902 -21.649 1.00 24.05 H new ATOM 0 HB3 PRO A 67 -8.574 -9.152 -21.718 1.00 24.05 H new ATOM 0 HG2 PRO A 67 -6.298 -11.111 -21.477 1.00 75.52 H new ATOM 0 HG3 PRO A 67 -6.412 -9.674 -22.474 1.00 75.52 H new ATOM 0 HD2 PRO A 67 -5.044 -9.673 -20.120 1.00 40.15 H new ATOM 0 HD3 PRO A 67 -5.863 -8.238 -20.704 1.00 40.15 H new ATOM 1039 N ALA A 68 -7.382 -12.088 -18.955 1.00 20.42 N ATOM 1040 CA ALA A 68 -7.453 -13.438 -18.408 1.00 32.11 C ATOM 1041 C ALA A 68 -6.078 -13.923 -17.962 1.00 71.50 C ATOM 1042 O ALA A 68 -5.262 -14.347 -18.781 1.00 72.31 O ATOM 1043 CB ALA A 68 -8.045 -14.393 -19.434 1.00 52.32 C ATOM 0 H ALA A 68 -6.438 -11.770 -19.172 1.00 20.42 H new ATOM 0 HA ALA A 68 -8.102 -13.415 -17.533 1.00 32.11 H new ATOM 0 HB1 ALA A 68 -8.092 -15.397 -19.012 1.00 52.32 H new ATOM 0 HB2 ALA A 68 -9.049 -14.064 -19.700 1.00 52.32 H new ATOM 0 HB3 ALA A 68 -7.418 -14.403 -20.326 1.00 52.32 H new ATOM 1049 N VAL A 69 -5.826 -13.858 -16.659 1.00 4.32 N ATOM 1050 CA VAL A 69 -4.549 -14.291 -16.104 1.00 74.04 C ATOM 1051 C VAL A 69 -4.462 -15.812 -16.046 1.00 12.13 C ATOM 1052 O VAL A 69 -5.271 -16.465 -15.387 1.00 71.24 O ATOM 1053 CB VAL A 69 -4.329 -13.720 -14.691 1.00 20.55 C ATOM 1054 CG1 VAL A 69 -4.156 -12.211 -14.744 1.00 54.43 C ATOM 1055 CG2 VAL A 69 -5.484 -14.101 -13.777 1.00 30.12 C ATOM 0 H VAL A 69 -6.490 -13.509 -15.967 1.00 4.32 H new ATOM 0 HA VAL A 69 -3.771 -13.911 -16.766 1.00 74.04 H new ATOM 0 HB VAL A 69 -3.415 -14.151 -14.283 1.00 20.55 H new ATOM 0 HG11 VAL A 69 -4.002 -11.827 -13.736 1.00 54.43 H new ATOM 0 HG12 VAL A 69 -3.292 -11.965 -15.362 1.00 54.43 H new ATOM 0 HG13 VAL A 69 -5.050 -11.757 -15.172 1.00 54.43 H new ATOM 0 HG21 VAL A 69 -5.312 -13.689 -12.783 1.00 30.12 H new ATOM 0 HG22 VAL A 69 -6.414 -13.700 -14.180 1.00 30.12 H new ATOM 0 HG23 VAL A 69 -5.554 -15.187 -13.713 1.00 30.12 H new ATOM 1065 N GLY A 70 -3.475 -16.370 -16.740 1.00 15.14 N ATOM 1066 CA GLY A 70 -3.301 -17.811 -16.753 1.00 71.31 C ATOM 1067 C GLY A 70 -2.363 -18.292 -15.664 1.00 2.03 C ATOM 1068 O GLY A 70 -1.659 -17.493 -15.045 1.00 11.35 O ATOM 0 H GLY A 70 -2.793 -15.851 -17.293 1.00 15.14 H new ATOM 0 HA2 GLY A 70 -4.271 -18.292 -16.631 1.00 71.31 H new ATOM 0 HA3 GLY A 70 -2.913 -18.118 -17.724 1.00 71.31 H new ATOM 1072 N ILE A 71 -2.353 -19.599 -15.428 1.00 41.20 N ATOM 1073 CA ILE A 71 -1.495 -20.184 -14.406 1.00 63.40 C ATOM 1074 C ILE A 71 -0.034 -19.812 -14.635 1.00 61.01 C ATOM 1075 O ILE A 71 0.742 -19.692 -13.688 1.00 11.32 O ATOM 1076 CB ILE A 71 -1.623 -21.718 -14.373 1.00 74.44 C ATOM 1077 CG1 ILE A 71 -1.322 -22.248 -12.970 1.00 20.34 C ATOM 1078 CG2 ILE A 71 -0.689 -22.350 -15.395 1.00 30.23 C ATOM 1079 CD1 ILE A 71 -0.391 -23.440 -12.960 1.00 52.41 C ATOM 0 H ILE A 71 -2.930 -20.273 -15.931 1.00 41.20 H new ATOM 0 HA ILE A 71 -1.825 -19.780 -13.449 1.00 63.40 H new ATOM 0 HB ILE A 71 -2.648 -21.987 -14.630 1.00 74.44 H new ATOM 0 HG12 ILE A 71 -0.881 -21.448 -12.375 1.00 20.34 H new ATOM 0 HG13 ILE A 71 -2.259 -22.525 -12.487 1.00 20.34 H new ATOM 0 HG21 ILE A 71 -0.791 -23.435 -15.359 1.00 30.23 H new ATOM 0 HG22 ILE A 71 -0.947 -21.994 -16.392 1.00 30.23 H new ATOM 0 HG23 ILE A 71 0.341 -22.075 -15.166 1.00 30.23 H new ATOM 0 HD11 ILE A 71 -0.223 -23.762 -11.932 1.00 52.41 H new ATOM 0 HD12 ILE A 71 -0.839 -24.256 -13.527 1.00 52.41 H new ATOM 0 HD13 ILE A 71 0.560 -23.162 -13.414 1.00 52.41 H new ATOM 1091 N GLN A 72 0.332 -19.630 -15.900 1.00 65.31 N ATOM 1092 CA GLN A 72 1.701 -19.271 -16.254 1.00 3.52 C ATOM 1093 C GLN A 72 1.981 -17.807 -15.926 1.00 33.42 C ATOM 1094 O GLN A 72 3.135 -17.404 -15.777 1.00 24.43 O ATOM 1095 CB GLN A 72 1.951 -19.529 -17.740 1.00 61.44 C ATOM 1096 CG GLN A 72 0.956 -18.832 -18.655 1.00 4.35 C ATOM 1097 CD GLN A 72 1.475 -18.677 -20.070 1.00 42.15 C ATOM 1098 OE1 GLN A 72 1.407 -17.594 -20.653 1.00 60.23 O ATOM 1099 NE2 GLN A 72 1.998 -19.761 -20.631 1.00 51.04 N ATOM 0 H GLN A 72 -0.299 -19.725 -16.696 1.00 65.31 H new ATOM 0 HA GLN A 72 2.376 -19.893 -15.666 1.00 3.52 H new ATOM 0 HB2 GLN A 72 2.958 -19.198 -17.993 1.00 61.44 H new ATOM 0 HB3 GLN A 72 1.912 -20.602 -17.925 1.00 61.44 H new ATOM 0 HG2 GLN A 72 0.026 -19.400 -18.673 1.00 4.35 H new ATOM 0 HG3 GLN A 72 0.721 -17.848 -18.248 1.00 4.35 H new ATOM 0 HE21 GLN A 72 2.034 -20.638 -20.111 1.00 51.04 H new ATOM 0 HE22 GLN A 72 2.364 -19.717 -21.582 1.00 51.04 H new ATOM 1108 N ASP A 73 0.919 -17.018 -15.816 1.00 1.42 N ATOM 1109 CA ASP A 73 1.051 -15.598 -15.505 1.00 32.41 C ATOM 1110 C ASP A 73 1.385 -15.395 -14.030 1.00 42.45 C ATOM 1111 O ASP A 73 1.593 -14.267 -13.583 1.00 4.13 O ATOM 1112 CB ASP A 73 -0.241 -14.856 -15.855 1.00 65.13 C ATOM 1113 CG ASP A 73 -0.075 -13.942 -17.053 1.00 42.31 C ATOM 1114 OD1 ASP A 73 1.016 -13.352 -17.204 1.00 65.20 O ATOM 1115 OD2 ASP A 73 -1.035 -13.816 -17.840 1.00 12.54 O ATOM 0 H ASP A 73 -0.043 -17.336 -15.937 1.00 1.42 H new ATOM 0 HA ASP A 73 1.867 -15.193 -16.104 1.00 32.41 H new ATOM 0 HB2 ASP A 73 -1.029 -15.581 -16.060 1.00 65.13 H new ATOM 0 HB3 ASP A 73 -0.564 -14.269 -14.995 1.00 65.13 H new ATOM 1120 N GLU A 74 1.435 -16.492 -13.283 1.00 11.15 N ATOM 1121 CA GLU A 74 1.742 -16.431 -11.858 1.00 61.24 C ATOM 1122 C GLU A 74 3.160 -15.916 -11.629 1.00 21.12 C ATOM 1123 O GLU A 74 4.087 -16.274 -12.354 1.00 21.44 O ATOM 1124 CB GLU A 74 1.581 -17.813 -11.219 1.00 40.41 C ATOM 1125 CG GLU A 74 2.587 -18.835 -11.719 1.00 1.11 C ATOM 1126 CD GLU A 74 3.744 -19.032 -10.758 1.00 31.41 C ATOM 1127 OE1 GLU A 74 3.493 -19.440 -9.605 1.00 43.01 O ATOM 1128 OE2 GLU A 74 4.898 -18.778 -11.159 1.00 43.05 O ATOM 0 H GLU A 74 1.267 -17.433 -13.639 1.00 11.15 H new ATOM 0 HA GLU A 74 1.042 -15.738 -11.391 1.00 61.24 H new ATOM 0 HB2 GLU A 74 1.679 -17.718 -10.138 1.00 40.41 H new ATOM 0 HB3 GLU A 74 0.574 -18.180 -11.416 1.00 40.41 H new ATOM 0 HG2 GLU A 74 2.083 -19.789 -11.876 1.00 1.11 H new ATOM 0 HG3 GLU A 74 2.974 -18.516 -12.687 1.00 1.11 H new ATOM 1135 N GLY A 75 3.320 -15.071 -10.615 1.00 4.31 N ATOM 1136 CA GLY A 75 4.626 -14.519 -10.309 1.00 43.32 C ATOM 1137 C GLY A 75 4.540 -13.228 -9.519 1.00 52.54 C ATOM 1138 O GLY A 75 3.626 -13.046 -8.714 1.00 2.30 O ATOM 0 H GLY A 75 2.568 -14.759 -10.000 1.00 4.31 H new ATOM 0 HA2 GLY A 75 5.202 -15.250 -9.742 1.00 43.32 H new ATOM 0 HA3 GLY A 75 5.167 -14.338 -11.238 1.00 43.32 H new ATOM 1142 N ILE A 76 5.492 -12.330 -9.748 1.00 23.41 N ATOM 1143 CA ILE A 76 5.520 -11.050 -9.051 1.00 63.23 C ATOM 1144 C ILE A 76 5.531 -9.888 -10.037 1.00 43.25 C ATOM 1145 O ILE A 76 6.286 -9.891 -11.010 1.00 22.34 O ATOM 1146 CB ILE A 76 6.748 -10.938 -8.129 1.00 10.20 C ATOM 1147 CG1 ILE A 76 6.588 -11.857 -6.916 1.00 0.11 C ATOM 1148 CG2 ILE A 76 6.947 -9.496 -7.685 1.00 2.21 C ATOM 1149 CD1 ILE A 76 7.437 -13.106 -6.988 1.00 1.22 C ATOM 0 H ILE A 76 6.255 -12.465 -10.411 1.00 23.41 H new ATOM 0 HA ILE A 76 4.615 -11.001 -8.445 1.00 63.23 H new ATOM 0 HB ILE A 76 7.631 -11.252 -8.685 1.00 10.20 H new ATOM 0 HG12 ILE A 76 6.847 -11.303 -6.014 1.00 0.11 H new ATOM 0 HG13 ILE A 76 5.541 -12.144 -6.824 1.00 0.11 H new ATOM 0 HG21 ILE A 76 7.819 -9.433 -7.034 1.00 2.21 H new ATOM 0 HG22 ILE A 76 7.101 -8.864 -8.560 1.00 2.21 H new ATOM 0 HG23 ILE A 76 6.064 -9.157 -7.143 1.00 2.21 H new ATOM 0 HD11 ILE A 76 7.273 -13.710 -6.095 1.00 1.22 H new ATOM 0 HD12 ILE A 76 7.162 -13.682 -7.871 1.00 1.22 H new ATOM 0 HD13 ILE A 76 8.489 -12.828 -7.049 1.00 1.22 H new ATOM 1161 N PHE A 77 4.689 -8.892 -9.780 1.00 11.21 N ATOM 1162 CA PHE A 77 4.602 -7.721 -10.644 1.00 52.04 C ATOM 1163 C PHE A 77 5.280 -6.516 -9.997 1.00 60.24 C ATOM 1164 O PHE A 77 4.995 -6.172 -8.850 1.00 62.01 O ATOM 1165 CB PHE A 77 3.139 -7.394 -10.950 1.00 3.34 C ATOM 1166 CG PHE A 77 2.434 -8.470 -11.726 1.00 1.12 C ATOM 1167 CD1 PHE A 77 2.069 -9.658 -11.113 1.00 55.03 C ATOM 1168 CD2 PHE A 77 2.137 -8.293 -13.068 1.00 2.34 C ATOM 1169 CE1 PHE A 77 1.419 -10.649 -11.824 1.00 60.41 C ATOM 1170 CE2 PHE A 77 1.488 -9.281 -13.784 1.00 11.04 C ATOM 1171 CZ PHE A 77 1.129 -10.461 -13.161 1.00 51.34 C ATOM 0 H PHE A 77 4.057 -8.873 -8.980 1.00 11.21 H new ATOM 0 HA PHE A 77 5.119 -7.949 -11.576 1.00 52.04 H new ATOM 0 HB2 PHE A 77 2.609 -7.226 -10.013 1.00 3.34 H new ATOM 0 HB3 PHE A 77 3.093 -6.462 -11.513 1.00 3.34 H new ATOM 0 HD1 PHE A 77 2.295 -9.811 -10.068 1.00 55.03 H new ATOM 0 HD2 PHE A 77 2.416 -7.373 -13.560 1.00 2.34 H new ATOM 0 HE1 PHE A 77 1.138 -11.570 -11.334 1.00 60.41 H new ATOM 0 HE2 PHE A 77 1.262 -9.131 -14.829 1.00 11.04 H new ATOM 0 HZ PHE A 77 0.623 -11.235 -13.719 1.00 51.34 H new ATOM 1181 N ARG A 78 6.178 -5.879 -10.742 1.00 74.54 N ATOM 1182 CA ARG A 78 6.897 -4.715 -10.243 1.00 63.03 C ATOM 1183 C ARG A 78 6.770 -3.541 -11.209 1.00 63.23 C ATOM 1184 O ARG A 78 6.858 -3.713 -12.426 1.00 12.50 O ATOM 1185 CB ARG A 78 8.374 -5.055 -10.027 1.00 52.55 C ATOM 1186 CG ARG A 78 8.597 -6.387 -9.332 1.00 33.14 C ATOM 1187 CD ARG A 78 8.869 -7.500 -10.333 1.00 2.45 C ATOM 1188 NE ARG A 78 10.144 -7.315 -11.022 1.00 51.10 N ATOM 1189 CZ ARG A 78 11.324 -7.542 -10.457 1.00 31.11 C ATOM 1190 NH1 ARG A 78 11.393 -7.961 -9.201 1.00 41.42 N ATOM 1191 NH2 ARG A 78 12.440 -7.352 -11.150 1.00 13.31 N ATOM 0 H ARG A 78 6.424 -6.151 -11.694 1.00 74.54 H new ATOM 0 HA ARG A 78 6.454 -4.427 -9.290 1.00 63.03 H new ATOM 0 HB2 ARG A 78 8.880 -5.070 -10.993 1.00 52.55 H new ATOM 0 HB3 ARG A 78 8.837 -4.265 -9.436 1.00 52.55 H new ATOM 0 HG2 ARG A 78 9.437 -6.303 -8.643 1.00 33.14 H new ATOM 0 HG3 ARG A 78 7.720 -6.639 -8.736 1.00 33.14 H new ATOM 0 HD2 ARG A 78 8.872 -8.460 -9.816 1.00 2.45 H new ATOM 0 HD3 ARG A 78 8.062 -7.534 -11.065 1.00 2.45 H new ATOM 0 HE ARG A 78 10.127 -6.994 -11.990 1.00 51.10 H new ATOM 0 HH11 ARG A 78 10.538 -8.110 -8.665 1.00 41.42 H new ATOM 0 HH12 ARG A 78 12.301 -8.134 -8.770 1.00 41.42 H new ATOM 0 HH21 ARG A 78 12.391 -7.031 -12.117 1.00 13.31 H new ATOM 0 HH22 ARG A 78 13.346 -7.527 -10.715 1.00 13.31 H new ATOM 1205 N CYS A 79 6.563 -2.349 -10.661 1.00 2.15 N ATOM 1206 CA CYS A 79 6.423 -1.146 -11.472 1.00 20.54 C ATOM 1207 C CYS A 79 7.411 -0.072 -11.028 1.00 54.42 C ATOM 1208 O CYS A 79 7.875 -0.075 -9.888 1.00 71.31 O ATOM 1209 CB CYS A 79 4.993 -0.608 -11.382 1.00 25.43 C ATOM 1210 SG CYS A 79 4.797 0.791 -10.233 1.00 72.11 S ATOM 0 H CYS A 79 6.488 -2.190 -9.656 1.00 2.15 H new ATOM 0 HA CYS A 79 6.641 -1.409 -12.507 1.00 20.54 H new ATOM 0 HB2 CYS A 79 4.670 -0.297 -12.375 1.00 25.43 H new ATOM 0 HB3 CYS A 79 4.331 -1.416 -11.070 1.00 25.43 H new ATOM 1215 N GLN A 80 7.727 0.846 -11.936 1.00 33.42 N ATOM 1216 CA GLN A 80 8.660 1.926 -11.638 1.00 71.42 C ATOM 1217 C GLN A 80 8.204 3.232 -12.279 1.00 15.22 C ATOM 1218 O GLN A 80 7.929 3.284 -13.478 1.00 14.44 O ATOM 1219 CB GLN A 80 10.064 1.566 -12.129 1.00 15.03 C ATOM 1220 CG GLN A 80 10.117 1.204 -13.605 1.00 3.52 C ATOM 1221 CD GLN A 80 11.535 1.029 -14.111 1.00 24.50 C ATOM 1222 OE1 GLN A 80 11.923 -0.058 -14.543 1.00 54.55 O ATOM 1223 NE2 GLN A 80 12.320 2.098 -14.060 1.00 1.42 N ATOM 0 H GLN A 80 7.351 0.863 -12.884 1.00 33.42 H new ATOM 0 HA GLN A 80 8.685 2.062 -10.557 1.00 71.42 H new ATOM 0 HB2 GLN A 80 10.731 2.408 -11.946 1.00 15.03 H new ATOM 0 HB3 GLN A 80 10.441 0.727 -11.544 1.00 15.03 H new ATOM 0 HG2 GLN A 80 9.560 0.282 -13.769 1.00 3.52 H new ATOM 0 HG3 GLN A 80 9.622 1.983 -14.185 1.00 3.52 H new ATOM 0 HE21 GLN A 80 11.959 2.979 -13.695 1.00 1.42 H new ATOM 0 HE22 GLN A 80 13.285 2.038 -14.386 1.00 1.42 H new ATOM 1232 N ALA A 81 8.124 4.286 -11.473 1.00 62.20 N ATOM 1233 CA ALA A 81 7.703 5.592 -11.962 1.00 60.11 C ATOM 1234 C ALA A 81 8.649 6.689 -11.485 1.00 61.21 C ATOM 1235 O ALA A 81 9.423 6.490 -10.549 1.00 34.44 O ATOM 1236 CB ALA A 81 6.279 5.890 -11.514 1.00 25.21 C ATOM 0 H ALA A 81 8.346 4.260 -10.478 1.00 62.20 H new ATOM 0 HA ALA A 81 7.733 5.571 -13.051 1.00 60.11 H new ATOM 0 HB1 ALA A 81 5.978 6.869 -11.887 1.00 25.21 H new ATOM 0 HB2 ALA A 81 5.606 5.129 -11.909 1.00 25.21 H new ATOM 0 HB3 ALA A 81 6.232 5.886 -10.425 1.00 25.21 H new ATOM 1242 N MET A 82 8.583 7.846 -12.135 1.00 30.31 N ATOM 1243 CA MET A 82 9.434 8.975 -11.776 1.00 35.42 C ATOM 1244 C MET A 82 8.609 10.246 -11.607 1.00 53.11 C ATOM 1245 O MET A 82 7.882 10.650 -12.514 1.00 73.11 O ATOM 1246 CB MET A 82 10.510 9.189 -12.842 1.00 31.31 C ATOM 1247 CG MET A 82 11.872 8.638 -12.451 1.00 0.24 C ATOM 1248 SD MET A 82 12.980 9.912 -11.819 1.00 73.11 S ATOM 1249 CE MET A 82 14.165 8.914 -10.919 1.00 12.33 C ATOM 0 H MET A 82 7.949 8.027 -12.913 1.00 30.31 H new ATOM 0 HA MET A 82 9.915 8.747 -10.825 1.00 35.42 H new ATOM 0 HB2 MET A 82 10.189 8.716 -13.770 1.00 31.31 H new ATOM 0 HB3 MET A 82 10.603 10.256 -13.043 1.00 31.31 H new ATOM 0 HG2 MET A 82 11.743 7.865 -11.693 1.00 0.24 H new ATOM 0 HG3 MET A 82 12.329 8.161 -13.318 1.00 0.24 H new ATOM 0 HE1 MET A 82 15.166 9.321 -11.062 1.00 12.33 H new ATOM 0 HE2 MET A 82 13.917 8.924 -9.858 1.00 12.33 H new ATOM 0 HE3 MET A 82 14.134 7.889 -11.290 1.00 12.33 H new ATOM 1259 N ASN A 83 8.726 10.871 -10.440 1.00 41.24 N ATOM 1260 CA ASN A 83 7.990 12.097 -10.153 1.00 1.42 C ATOM 1261 C ASN A 83 8.781 13.323 -10.597 1.00 51.44 C ATOM 1262 O ASN A 83 9.941 13.217 -10.995 1.00 64.31 O ATOM 1263 CB ASN A 83 7.680 12.191 -8.658 1.00 54.21 C ATOM 1264 CG ASN A 83 7.285 10.853 -8.064 1.00 3.22 C ATOM 1265 OD1 ASN A 83 8.071 10.217 -7.362 1.00 0.40 O ATOM 1266 ND2 ASN A 83 6.062 10.419 -8.344 1.00 73.21 N ATOM 0 H ASN A 83 9.323 10.549 -9.678 1.00 41.24 H new ATOM 0 HA ASN A 83 7.054 12.069 -10.711 1.00 1.42 H new ATOM 0 HB2 ASN A 83 8.554 12.575 -8.132 1.00 54.21 H new ATOM 0 HB3 ASN A 83 6.873 12.907 -8.501 1.00 54.21 H new ATOM 0 HD21 ASN A 83 5.741 9.525 -7.973 1.00 73.21 H new ATOM 0 HD22 ASN A 83 5.444 10.980 -8.931 1.00 73.21 H new ATOM 1273 N ARG A 84 8.145 14.488 -10.527 1.00 10.10 N ATOM 1274 CA ARG A 84 8.788 15.736 -10.923 1.00 24.31 C ATOM 1275 C ARG A 84 9.861 16.137 -9.915 1.00 24.40 C ATOM 1276 O ARG A 84 10.737 16.947 -10.217 1.00 3.43 O ATOM 1277 CB ARG A 84 7.750 16.852 -11.049 1.00 70.53 C ATOM 1278 CG ARG A 84 8.253 18.068 -11.811 1.00 23.14 C ATOM 1279 CD ARG A 84 7.597 19.347 -11.314 1.00 30.21 C ATOM 1280 NE ARG A 84 7.519 20.363 -12.360 1.00 10.22 N ATOM 1281 CZ ARG A 84 7.130 21.614 -12.140 1.00 45.30 C ATOM 1282 NH1 ARG A 84 6.787 22.002 -10.920 1.00 34.52 N ATOM 1283 NH2 ARG A 84 7.086 22.482 -13.143 1.00 73.05 N ATOM 0 H ARG A 84 7.185 14.594 -10.200 1.00 10.10 H new ATOM 0 HA ARG A 84 9.263 15.580 -11.892 1.00 24.31 H new ATOM 0 HB2 ARG A 84 6.866 16.459 -11.551 1.00 70.53 H new ATOM 0 HB3 ARG A 84 7.439 17.162 -10.051 1.00 70.53 H new ATOM 0 HG2 ARG A 84 9.335 18.146 -11.701 1.00 23.14 H new ATOM 0 HG3 ARG A 84 8.049 17.943 -12.874 1.00 23.14 H new ATOM 0 HD2 ARG A 84 6.594 19.123 -10.951 1.00 30.21 H new ATOM 0 HD3 ARG A 84 8.162 19.740 -10.468 1.00 30.21 H new ATOM 0 HE ARG A 84 7.777 20.098 -13.311 1.00 10.22 H new ATOM 0 HH11 ARG A 84 6.821 21.339 -10.146 1.00 34.52 H new ATOM 0 HH12 ARG A 84 6.489 22.964 -10.756 1.00 34.52 H new ATOM 0 HH21 ARG A 84 7.351 22.189 -14.083 1.00 73.05 H new ATOM 0 HH22 ARG A 84 6.787 23.442 -12.974 1.00 73.05 H new ATOM 1297 N ASN A 85 9.787 15.563 -8.719 1.00 3.42 N ATOM 1298 CA ASN A 85 10.752 15.862 -7.667 1.00 12.33 C ATOM 1299 C ASN A 85 12.098 15.208 -7.961 1.00 30.00 C ATOM 1300 O ASN A 85 13.127 15.612 -7.421 1.00 22.44 O ATOM 1301 CB ASN A 85 10.225 15.384 -6.312 1.00 54.14 C ATOM 1302 CG ASN A 85 9.087 16.244 -5.797 1.00 61.44 C ATOM 1303 OD1 ASN A 85 8.044 16.363 -6.440 1.00 73.14 O ATOM 1304 ND2 ASN A 85 9.284 16.849 -4.632 1.00 2.31 N ATOM 0 H ASN A 85 9.069 14.888 -8.454 1.00 3.42 H new ATOM 0 HA ASN A 85 10.893 16.942 -7.634 1.00 12.33 H new ATOM 0 HB2 ASN A 85 9.885 14.352 -6.401 1.00 54.14 H new ATOM 0 HB3 ASN A 85 11.038 15.390 -5.586 1.00 54.14 H new ATOM 0 HD21 ASN A 85 8.555 17.441 -4.235 1.00 2.31 H new ATOM 0 HD22 ASN A 85 10.165 16.722 -4.134 1.00 2.31 H new ATOM 1311 N GLY A 86 12.083 14.196 -8.823 1.00 35.02 N ATOM 1312 CA GLY A 86 13.308 13.503 -9.176 1.00 13.25 C ATOM 1313 C GLY A 86 13.371 12.106 -8.591 1.00 22.40 C ATOM 1314 O GLY A 86 14.170 11.277 -9.029 1.00 11.20 O ATOM 0 H GLY A 86 11.244 13.844 -9.283 1.00 35.02 H new ATOM 0 HA2 GLY A 86 13.389 13.443 -10.261 1.00 13.25 H new ATOM 0 HA3 GLY A 86 14.163 14.080 -8.824 1.00 13.25 H new ATOM 1318 N LYS A 87 12.528 11.841 -7.598 1.00 50.43 N ATOM 1319 CA LYS A 87 12.491 10.535 -6.953 1.00 5.02 C ATOM 1320 C LYS A 87 11.599 9.570 -7.727 1.00 23.41 C ATOM 1321 O LYS A 87 10.610 9.978 -8.334 1.00 63.43 O ATOM 1322 CB LYS A 87 11.986 10.669 -5.514 1.00 23.22 C ATOM 1323 CG LYS A 87 13.094 10.899 -4.500 1.00 25.32 C ATOM 1324 CD LYS A 87 13.826 12.204 -4.759 1.00 41.52 C ATOM 1325 CE LYS A 87 12.914 13.405 -4.551 1.00 1.13 C ATOM 1326 NZ LYS A 87 13.675 14.612 -4.124 1.00 33.12 N ATOM 0 H LYS A 87 11.861 12.515 -7.223 1.00 50.43 H new ATOM 0 HA LYS A 87 13.505 10.135 -6.941 1.00 5.02 H new ATOM 0 HB2 LYS A 87 11.279 11.497 -5.461 1.00 23.22 H new ATOM 0 HB3 LYS A 87 11.439 9.765 -5.244 1.00 23.22 H new ATOM 0 HG2 LYS A 87 12.672 10.911 -3.495 1.00 25.32 H new ATOM 0 HG3 LYS A 87 13.801 10.070 -4.539 1.00 25.32 H new ATOM 0 HD2 LYS A 87 14.686 12.279 -4.093 1.00 41.52 H new ATOM 0 HD3 LYS A 87 14.211 12.210 -5.779 1.00 41.52 H new ATOM 0 HE2 LYS A 87 12.381 13.621 -5.477 1.00 1.13 H new ATOM 0 HE3 LYS A 87 12.163 13.165 -3.799 1.00 1.13 H new ATOM 0 HZ1 LYS A 87 13.019 15.408 -3.993 1.00 33.12 H new ATOM 0 HZ2 LYS A 87 14.164 14.415 -3.227 1.00 33.12 H new ATOM 0 HZ3 LYS A 87 14.375 14.857 -4.853 1.00 33.12 H new ATOM 1340 N GLU A 88 11.956 8.290 -7.700 1.00 25.54 N ATOM 1341 CA GLU A 88 11.187 7.268 -8.399 1.00 32.23 C ATOM 1342 C GLU A 88 10.353 6.448 -7.419 1.00 22.54 C ATOM 1343 O GLU A 88 10.784 6.172 -6.298 1.00 64.53 O ATOM 1344 CB GLU A 88 12.120 6.346 -9.187 1.00 71.43 C ATOM 1345 CG GLU A 88 12.700 5.213 -8.357 1.00 60.22 C ATOM 1346 CD GLU A 88 13.696 4.373 -9.134 1.00 31.11 C ATOM 1347 OE1 GLU A 88 14.485 4.952 -9.909 1.00 35.10 O ATOM 1348 OE2 GLU A 88 13.685 3.135 -8.964 1.00 42.35 O ATOM 0 H GLU A 88 12.773 7.936 -7.202 1.00 25.54 H new ATOM 0 HA GLU A 88 10.512 7.769 -9.092 1.00 32.23 H new ATOM 0 HB2 GLU A 88 11.573 5.924 -10.030 1.00 71.43 H new ATOM 0 HB3 GLU A 88 12.937 6.937 -9.601 1.00 71.43 H new ATOM 0 HG2 GLU A 88 13.189 5.627 -7.475 1.00 60.22 H new ATOM 0 HG3 GLU A 88 11.890 4.575 -8.003 1.00 60.22 H new ATOM 1355 N THR A 89 9.156 6.061 -7.847 1.00 54.24 N ATOM 1356 CA THR A 89 8.260 5.275 -7.009 1.00 10.12 C ATOM 1357 C THR A 89 8.233 3.816 -7.450 1.00 45.22 C ATOM 1358 O THR A 89 7.972 3.513 -8.615 1.00 4.44 O ATOM 1359 CB THR A 89 6.826 5.835 -7.038 1.00 33.02 C ATOM 1360 OG1 THR A 89 6.818 7.128 -7.653 1.00 12.44 O ATOM 1361 CG2 THR A 89 6.254 5.932 -5.632 1.00 10.13 C ATOM 0 H THR A 89 8.784 6.280 -8.771 1.00 54.24 H new ATOM 0 HA THR A 89 8.645 5.337 -5.991 1.00 10.12 H new ATOM 0 HB THR A 89 6.205 5.153 -7.619 1.00 33.02 H new ATOM 0 HG1 THR A 89 5.902 7.477 -7.669 1.00 12.44 H new ATOM 0 HG21 THR A 89 5.240 6.330 -5.678 1.00 10.13 H new ATOM 0 HG22 THR A 89 6.234 4.941 -5.178 1.00 10.13 H new ATOM 0 HG23 THR A 89 6.877 6.594 -5.031 1.00 10.13 H new ATOM 1369 N LYS A 90 8.504 2.914 -6.513 1.00 30.14 N ATOM 1370 CA LYS A 90 8.509 1.485 -6.803 1.00 73.21 C ATOM 1371 C LYS A 90 7.291 0.801 -6.189 1.00 42.24 C ATOM 1372 O LYS A 90 6.839 1.172 -5.106 1.00 42.55 O ATOM 1373 CB LYS A 90 9.791 0.841 -6.273 1.00 30.41 C ATOM 1374 CG LYS A 90 11.051 1.331 -6.965 1.00 53.42 C ATOM 1375 CD LYS A 90 11.985 2.031 -5.992 1.00 44.25 C ATOM 1376 CE LYS A 90 11.362 3.303 -5.439 1.00 5.31 C ATOM 1377 NZ LYS A 90 12.396 4.265 -4.964 1.00 43.32 N ATOM 0 H LYS A 90 8.723 3.148 -5.545 1.00 30.14 H new ATOM 0 HA LYS A 90 8.467 1.359 -7.885 1.00 73.21 H new ATOM 0 HB2 LYS A 90 9.873 1.041 -5.205 1.00 30.41 H new ATOM 0 HB3 LYS A 90 9.719 -0.240 -6.391 1.00 30.41 H new ATOM 0 HG2 LYS A 90 11.567 0.487 -7.423 1.00 53.42 H new ATOM 0 HG3 LYS A 90 10.783 2.016 -7.770 1.00 53.42 H new ATOM 0 HD2 LYS A 90 12.228 1.357 -5.171 1.00 44.25 H new ATOM 0 HD3 LYS A 90 12.922 2.272 -6.495 1.00 44.25 H new ATOM 0 HE2 LYS A 90 10.754 3.775 -6.211 1.00 5.31 H new ATOM 0 HE3 LYS A 90 10.694 3.052 -4.615 1.00 5.31 H new ATOM 0 HZ1 LYS A 90 12.153 5.223 -5.287 1.00 43.32 H new ATOM 0 HZ2 LYS A 90 12.434 4.249 -3.925 1.00 43.32 H new ATOM 0 HZ3 LYS A 90 13.324 3.995 -5.348 1.00 43.32 H new ATOM 1391 N SER A 91 6.767 -0.201 -6.887 1.00 70.02 N ATOM 1392 CA SER A 91 5.600 -0.936 -6.412 1.00 23.15 C ATOM 1393 C SER A 91 5.684 -2.405 -6.813 1.00 33.44 C ATOM 1394 O SER A 91 5.766 -2.733 -7.996 1.00 22.31 O ATOM 1395 CB SER A 91 4.318 -0.314 -6.969 1.00 72.42 C ATOM 1396 OG SER A 91 4.429 1.095 -7.055 1.00 3.40 O ATOM 0 H SER A 91 7.132 -0.523 -7.784 1.00 70.02 H new ATOM 0 HA SER A 91 5.580 -0.876 -5.324 1.00 23.15 H new ATOM 0 HB2 SER A 91 4.110 -0.726 -7.956 1.00 72.42 H new ATOM 0 HB3 SER A 91 3.475 -0.577 -6.330 1.00 72.42 H new ATOM 0 HG SER A 91 4.564 1.356 -7.990 1.00 3.40 H new ATOM 1402 N ASN A 92 5.660 -3.286 -5.818 1.00 33.23 N ATOM 1403 CA ASN A 92 5.733 -4.722 -6.065 1.00 44.14 C ATOM 1404 C ASN A 92 4.490 -5.429 -5.537 1.00 33.05 C ATOM 1405 O ASN A 92 4.157 -5.323 -4.356 1.00 72.32 O ATOM 1406 CB ASN A 92 6.985 -5.309 -5.412 1.00 22.31 C ATOM 1407 CG ASN A 92 7.191 -6.769 -5.768 1.00 4.04 C ATOM 1408 OD1 ASN A 92 8.085 -7.110 -6.544 1.00 51.13 O ATOM 1409 ND2 ASN A 92 6.364 -7.639 -5.201 1.00 24.41 N ATOM 0 H ASN A 92 5.591 -3.031 -4.833 1.00 33.23 H new ATOM 0 HA ASN A 92 5.786 -4.878 -7.142 1.00 44.14 H new ATOM 0 HB2 ASN A 92 7.858 -4.735 -5.724 1.00 22.31 H new ATOM 0 HB3 ASN A 92 6.908 -5.209 -4.329 1.00 22.31 H new ATOM 0 HD21 ASN A 92 6.455 -8.635 -5.402 1.00 24.41 H new ATOM 0 HD22 ASN A 92 5.638 -7.312 -4.564 1.00 24.41 H new ATOM 1416 N TYR A 93 3.806 -6.150 -6.419 1.00 5.44 N ATOM 1417 CA TYR A 93 2.597 -6.874 -6.041 1.00 62.03 C ATOM 1418 C TYR A 93 2.671 -8.329 -6.493 1.00 64.21 C ATOM 1419 O TYR A 93 2.761 -8.618 -7.686 1.00 43.34 O ATOM 1420 CB TYR A 93 1.365 -6.202 -6.649 1.00 12.31 C ATOM 1421 CG TYR A 93 0.949 -4.938 -5.931 1.00 1.20 C ATOM 1422 CD1 TYR A 93 1.786 -3.830 -5.891 1.00 12.42 C ATOM 1423 CD2 TYR A 93 -0.283 -4.852 -5.292 1.00 20.42 C ATOM 1424 CE1 TYR A 93 1.410 -2.674 -5.235 1.00 32.23 C ATOM 1425 CE2 TYR A 93 -0.668 -3.699 -4.635 1.00 63.43 C ATOM 1426 CZ TYR A 93 0.182 -2.613 -4.609 1.00 40.03 C ATOM 1427 OH TYR A 93 -0.197 -1.463 -3.955 1.00 63.44 O ATOM 0 H TYR A 93 4.068 -6.249 -7.400 1.00 5.44 H new ATOM 0 HA TYR A 93 2.515 -6.853 -4.954 1.00 62.03 H new ATOM 0 HB2 TYR A 93 1.568 -5.966 -7.694 1.00 12.31 H new ATOM 0 HB3 TYR A 93 0.534 -6.907 -6.637 1.00 12.31 H new ATOM 0 HD1 TYR A 93 2.747 -3.873 -6.381 1.00 12.42 H new ATOM 0 HD2 TYR A 93 -0.950 -5.701 -5.310 1.00 20.42 H new ATOM 0 HE1 TYR A 93 2.074 -1.822 -5.212 1.00 32.23 H new ATOM 0 HE2 TYR A 93 -1.629 -3.648 -4.145 1.00 63.43 H new ATOM 0 HH TYR A 93 -0.526 -1.689 -3.060 1.00 63.44 H new ATOM 1437 N ARG A 94 2.631 -9.243 -5.529 1.00 65.52 N ATOM 1438 CA ARG A 94 2.694 -10.670 -5.825 1.00 53.44 C ATOM 1439 C ARG A 94 1.304 -11.226 -6.117 1.00 74.15 C ATOM 1440 O ARG A 94 0.353 -10.970 -5.378 1.00 65.12 O ATOM 1441 CB ARG A 94 3.323 -11.428 -4.655 1.00 32.12 C ATOM 1442 CG ARG A 94 2.723 -11.072 -3.304 1.00 52.14 C ATOM 1443 CD ARG A 94 3.623 -10.125 -2.527 1.00 65.54 C ATOM 1444 NE ARG A 94 3.528 -10.340 -1.086 1.00 3.31 N ATOM 1445 CZ ARG A 94 4.063 -11.382 -0.461 1.00 61.34 C ATOM 1446 NH1 ARG A 94 4.727 -12.302 -1.148 1.00 61.32 N ATOM 1447 NH2 ARG A 94 3.934 -11.508 0.854 1.00 41.40 N ATOM 0 H ARG A 94 2.555 -9.021 -4.536 1.00 65.52 H new ATOM 0 HA ARG A 94 3.314 -10.805 -6.711 1.00 53.44 H new ATOM 0 HB2 ARG A 94 3.208 -12.499 -4.823 1.00 32.12 H new ATOM 0 HB3 ARG A 94 4.393 -11.222 -4.633 1.00 32.12 H new ATOM 0 HG2 ARG A 94 1.746 -10.611 -3.449 1.00 52.14 H new ATOM 0 HG3 ARG A 94 2.563 -11.981 -2.725 1.00 52.14 H new ATOM 0 HD2 ARG A 94 4.656 -10.262 -2.847 1.00 65.54 H new ATOM 0 HD3 ARG A 94 3.352 -9.095 -2.759 1.00 65.54 H new ATOM 0 HE ARG A 94 3.023 -9.651 -0.529 1.00 3.31 H new ATOM 0 HH11 ARG A 94 4.828 -12.210 -2.159 1.00 61.32 H new ATOM 0 HH12 ARG A 94 5.137 -13.102 -0.665 1.00 61.32 H new ATOM 0 HH21 ARG A 94 3.423 -10.804 1.386 1.00 41.40 H new ATOM 0 HH22 ARG A 94 4.346 -12.309 1.332 1.00 41.40 H new ATOM 1461 N VAL A 95 1.192 -11.988 -7.201 1.00 43.51 N ATOM 1462 CA VAL A 95 -0.081 -12.580 -7.591 1.00 33.41 C ATOM 1463 C VAL A 95 0.007 -14.102 -7.622 1.00 71.34 C ATOM 1464 O VAL A 95 1.007 -14.667 -8.066 1.00 45.14 O ATOM 1465 CB VAL A 95 -0.536 -12.075 -8.974 1.00 23.11 C ATOM 1466 CG1 VAL A 95 -1.766 -12.837 -9.443 1.00 51.31 C ATOM 1467 CG2 VAL A 95 -0.810 -10.579 -8.930 1.00 63.31 C ATOM 0 H VAL A 95 1.968 -12.209 -7.824 1.00 43.51 H new ATOM 0 HA VAL A 95 -0.813 -12.276 -6.843 1.00 33.41 H new ATOM 0 HB VAL A 95 0.267 -12.254 -9.689 1.00 23.11 H new ATOM 0 HG11 VAL A 95 -2.072 -12.466 -10.421 1.00 51.31 H new ATOM 0 HG12 VAL A 95 -1.531 -13.899 -9.515 1.00 51.31 H new ATOM 0 HG13 VAL A 95 -2.577 -12.692 -8.730 1.00 51.31 H new ATOM 0 HG21 VAL A 95 -1.130 -10.239 -9.915 1.00 63.31 H new ATOM 0 HG22 VAL A 95 -1.595 -10.374 -8.202 1.00 63.31 H new ATOM 0 HG23 VAL A 95 0.099 -10.051 -8.642 1.00 63.31 H new ATOM 1477 N ARG A 96 -1.045 -14.760 -7.148 1.00 1.10 N ATOM 1478 CA ARG A 96 -1.086 -16.217 -7.121 1.00 23.32 C ATOM 1479 C ARG A 96 -2.363 -16.738 -7.776 1.00 20.24 C ATOM 1480 O ARG A 96 -3.467 -16.318 -7.429 1.00 5.51 O ATOM 1481 CB ARG A 96 -0.996 -16.725 -5.680 1.00 42.03 C ATOM 1482 CG ARG A 96 0.161 -17.682 -5.443 1.00 73.42 C ATOM 1483 CD ARG A 96 -0.103 -19.040 -6.075 1.00 61.10 C ATOM 1484 NE ARG A 96 1.088 -19.886 -6.072 1.00 13.12 N ATOM 1485 CZ ARG A 96 1.595 -20.436 -4.974 1.00 63.32 C ATOM 1486 NH1 ARG A 96 1.019 -20.231 -3.798 1.00 15.51 N ATOM 1487 NH2 ARG A 96 2.682 -21.193 -5.051 1.00 71.12 N ATOM 0 H ARG A 96 -1.881 -14.308 -6.777 1.00 1.10 H new ATOM 0 HA ARG A 96 -0.231 -16.589 -7.685 1.00 23.32 H new ATOM 0 HB2 ARG A 96 -0.894 -15.872 -5.009 1.00 42.03 H new ATOM 0 HB3 ARG A 96 -1.929 -17.225 -5.421 1.00 42.03 H new ATOM 0 HG2 ARG A 96 1.076 -17.258 -5.857 1.00 73.42 H new ATOM 0 HG3 ARG A 96 0.322 -17.803 -4.372 1.00 73.42 H new ATOM 0 HD2 ARG A 96 -0.905 -19.542 -5.534 1.00 61.10 H new ATOM 0 HD3 ARG A 96 -0.447 -18.902 -7.100 1.00 61.10 H new ATOM 0 HE ARG A 96 1.556 -20.064 -6.961 1.00 13.12 H new ATOM 0 HH11 ARG A 96 0.184 -19.649 -3.734 1.00 15.51 H new ATOM 0 HH12 ARG A 96 1.411 -20.655 -2.957 1.00 15.51 H new ATOM 0 HH21 ARG A 96 3.129 -21.353 -5.954 1.00 71.12 H new ATOM 0 HH22 ARG A 96 3.071 -21.615 -4.207 1.00 71.12 H new ATOM 1501 N VAL A 97 -2.204 -17.655 -8.725 1.00 4.13 N ATOM 1502 CA VAL A 97 -3.342 -18.234 -9.428 1.00 2.52 C ATOM 1503 C VAL A 97 -3.825 -19.505 -8.739 1.00 70.03 C ATOM 1504 O VAL A 97 -3.298 -19.898 -7.698 1.00 22.20 O ATOM 1505 CB VAL A 97 -2.992 -18.557 -10.892 1.00 55.05 C ATOM 1506 CG1 VAL A 97 -2.666 -17.283 -11.657 1.00 70.34 C ATOM 1507 CG2 VAL A 97 -1.833 -19.540 -10.959 1.00 13.13 C ATOM 0 H VAL A 97 -1.297 -18.013 -9.025 1.00 4.13 H new ATOM 0 HA VAL A 97 -4.138 -17.490 -9.409 1.00 2.52 H new ATOM 0 HB VAL A 97 -3.860 -19.022 -11.360 1.00 55.05 H new ATOM 0 HG11 VAL A 97 -2.421 -17.531 -12.690 1.00 70.34 H new ATOM 0 HG12 VAL A 97 -3.529 -16.617 -11.639 1.00 70.34 H new ATOM 0 HG13 VAL A 97 -1.814 -16.787 -11.191 1.00 70.34 H new ATOM 0 HG21 VAL A 97 -1.600 -19.757 -12.001 1.00 13.13 H new ATOM 0 HG22 VAL A 97 -0.959 -19.105 -10.474 1.00 13.13 H new ATOM 0 HG23 VAL A 97 -2.109 -20.463 -10.450 1.00 13.13 H new ATOM 1517 N TYR A 98 -4.829 -20.145 -9.328 1.00 21.12 N ATOM 1518 CA TYR A 98 -5.385 -21.372 -8.770 1.00 31.21 C ATOM 1519 C TYR A 98 -4.353 -22.496 -8.788 1.00 44.24 C ATOM 1520 O TYR A 98 -3.700 -22.769 -7.782 1.00 12.02 O ATOM 1521 CB TYR A 98 -6.629 -21.795 -9.553 1.00 13.21 C ATOM 1522 CG TYR A 98 -7.181 -23.138 -9.132 1.00 74.40 C ATOM 1523 CD1 TYR A 98 -7.294 -23.476 -7.789 1.00 54.15 C ATOM 1524 CD2 TYR A 98 -7.588 -24.072 -10.078 1.00 51.10 C ATOM 1525 CE1 TYR A 98 -7.798 -24.702 -7.400 1.00 62.44 C ATOM 1526 CE2 TYR A 98 -8.094 -25.300 -9.699 1.00 60.11 C ATOM 1527 CZ TYR A 98 -8.196 -25.610 -8.359 1.00 31.40 C ATOM 1528 OH TYR A 98 -8.698 -26.833 -7.977 1.00 74.51 O ATOM 0 H TYR A 98 -5.274 -19.835 -10.192 1.00 21.12 H new ATOM 0 HA TYR A 98 -5.664 -21.176 -7.735 1.00 31.21 H new ATOM 0 HB2 TYR A 98 -7.403 -21.038 -9.427 1.00 13.21 H new ATOM 0 HB3 TYR A 98 -6.386 -21.828 -10.615 1.00 13.21 H new ATOM 0 HD1 TYR A 98 -6.982 -22.768 -7.036 1.00 54.15 H new ATOM 0 HD2 TYR A 98 -7.507 -23.833 -11.128 1.00 51.10 H new ATOM 0 HE1 TYR A 98 -7.880 -24.948 -6.352 1.00 62.44 H new ATOM 0 HE2 TYR A 98 -8.408 -26.013 -10.447 1.00 60.11 H new ATOM 0 HH TYR A 98 -8.932 -27.354 -8.773 1.00 74.51 H new ATOM 1538 N GLN A 99 -4.211 -23.141 -9.942 1.00 4.43 N ATOM 1539 CA GLN A 99 -3.258 -24.234 -10.093 1.00 2.24 C ATOM 1540 C GLN A 99 -1.839 -23.765 -9.791 1.00 22.51 C ATOM 1541 O GLN A 99 -1.461 -22.643 -10.129 1.00 63.51 O ATOM 1542 CB GLN A 99 -3.328 -24.809 -11.508 1.00 54.50 C ATOM 1543 CG GLN A 99 -3.794 -26.254 -11.557 1.00 34.14 C ATOM 1544 CD GLN A 99 -5.175 -26.442 -10.958 1.00 24.15 C ATOM 1545 OE1 GLN A 99 -6.187 -26.294 -11.643 1.00 73.34 O ATOM 1546 NE2 GLN A 99 -5.223 -26.770 -9.672 1.00 21.34 N ATOM 0 H GLN A 99 -4.743 -22.926 -10.785 1.00 4.43 H new ATOM 0 HA GLN A 99 -3.523 -25.014 -9.379 1.00 2.24 H new ATOM 0 HB2 GLN A 99 -4.004 -24.198 -12.106 1.00 54.50 H new ATOM 0 HB3 GLN A 99 -2.343 -24.738 -11.969 1.00 54.50 H new ATOM 0 HG2 GLN A 99 -3.802 -26.595 -12.592 1.00 34.14 H new ATOM 0 HG3 GLN A 99 -3.081 -26.880 -11.021 1.00 34.14 H new ATOM 0 HE21 GLN A 99 -4.359 -26.883 -9.142 1.00 21.34 H new ATOM 0 HE22 GLN A 99 -6.124 -26.909 -9.215 1.00 21.34 H new ATOM 1555 N ILE A 100 -1.058 -24.631 -9.153 1.00 42.52 N ATOM 1556 CA ILE A 100 0.320 -24.304 -8.807 1.00 44.23 C ATOM 1557 C ILE A 100 1.295 -25.295 -9.434 1.00 73.13 C ATOM 1558 O ILE A 100 0.929 -26.410 -9.809 1.00 51.23 O ATOM 1559 CB ILE A 100 0.529 -24.292 -7.281 1.00 62.14 C ATOM 1560 CG1 ILE A 100 -0.550 -25.126 -6.590 1.00 31.12 C ATOM 1561 CG2 ILE A 100 0.521 -22.863 -6.757 1.00 34.54 C ATOM 1562 CD1 ILE A 100 -0.350 -25.254 -5.095 1.00 71.45 C ATOM 0 H ILE A 100 -1.356 -25.563 -8.866 1.00 42.52 H new ATOM 0 HA ILE A 100 0.516 -23.307 -9.201 1.00 44.23 H new ATOM 0 HB ILE A 100 1.500 -24.734 -7.058 1.00 62.14 H new ATOM 0 HG12 ILE A 100 -1.524 -24.675 -6.781 1.00 31.12 H new ATOM 0 HG13 ILE A 100 -0.567 -26.122 -7.033 1.00 31.12 H new ATOM 0 HG21 ILE A 100 0.670 -22.871 -5.677 1.00 34.54 H new ATOM 0 HG22 ILE A 100 1.324 -22.298 -7.230 1.00 34.54 H new ATOM 0 HG23 ILE A 100 -0.436 -22.396 -6.988 1.00 34.54 H new ATOM 0 HD11 ILE A 100 -1.152 -25.858 -4.671 1.00 71.45 H new ATOM 0 HD12 ILE A 100 0.609 -25.732 -4.896 1.00 71.45 H new ATOM 0 HD13 ILE A 100 -0.363 -24.264 -4.640 1.00 71.45 H new ATOM 1574 N PRO A 101 2.565 -24.882 -9.552 1.00 73.24 N ATOM 1575 CA PRO A 101 3.619 -25.720 -10.132 1.00 11.41 C ATOM 1576 C PRO A 101 3.982 -26.898 -9.235 1.00 62.51 C ATOM 1577 O PRO A 101 4.089 -28.034 -9.699 1.00 11.55 O ATOM 1578 CB PRO A 101 4.805 -24.761 -10.260 1.00 50.42 C ATOM 1579 CG PRO A 101 4.564 -23.720 -9.221 1.00 30.21 C ATOM 1580 CD PRO A 101 3.071 -23.566 -9.127 1.00 72.42 C ATOM 0 HA PRO A 101 3.310 -26.167 -11.077 1.00 11.41 H new ATOM 0 HB2 PRO A 101 5.751 -25.276 -10.092 1.00 50.42 H new ATOM 0 HB3 PRO A 101 4.854 -24.322 -11.257 1.00 50.42 H new ATOM 0 HG2 PRO A 101 4.986 -24.021 -8.262 1.00 30.21 H new ATOM 0 HG3 PRO A 101 5.037 -22.777 -9.496 1.00 30.21 H new ATOM 0 HD2 PRO A 101 2.755 -23.323 -8.113 1.00 72.42 H new ATOM 0 HD3 PRO A 101 2.708 -22.768 -9.774 1.00 72.42 H new ATOM 1588 N GLY A 102 4.171 -26.622 -7.948 1.00 73.03 N ATOM 1589 CA GLY A 102 4.520 -27.670 -7.008 1.00 15.24 C ATOM 1590 C GLY A 102 6.016 -27.784 -6.794 1.00 11.51 C ATOM 1591 O GLY A 102 6.471 -28.113 -5.699 1.00 43.13 O ATOM 0 H GLY A 102 4.088 -25.691 -7.540 1.00 73.03 H new ATOM 0 HA2 GLY A 102 4.034 -27.473 -6.053 1.00 15.24 H new ATOM 0 HA3 GLY A 102 4.135 -28.623 -7.372 1.00 15.24 H new ATOM 1595 N LYS A 103 6.783 -27.511 -7.843 1.00 61.05 N ATOM 1596 CA LYS A 103 8.238 -27.585 -7.768 1.00 41.51 C ATOM 1597 C LYS A 103 8.877 -26.324 -8.342 1.00 74.30 C ATOM 1598 O LYS A 103 9.497 -26.342 -9.405 1.00 62.21 O ATOM 1599 CB LYS A 103 8.747 -28.815 -8.521 1.00 33.33 C ATOM 1600 CG LYS A 103 8.181 -28.948 -9.924 1.00 13.43 C ATOM 1601 CD LYS A 103 9.114 -29.732 -10.831 1.00 33.12 C ATOM 1602 CE LYS A 103 10.166 -28.833 -11.461 1.00 12.33 C ATOM 1603 NZ LYS A 103 11.329 -29.611 -11.969 1.00 71.04 N ATOM 0 H LYS A 103 6.422 -27.236 -8.756 1.00 61.05 H new ATOM 0 HA LYS A 103 8.518 -27.668 -6.718 1.00 41.51 H new ATOM 0 HB2 LYS A 103 9.834 -28.770 -8.580 1.00 33.33 H new ATOM 0 HB3 LYS A 103 8.496 -29.709 -7.951 1.00 33.33 H new ATOM 0 HG2 LYS A 103 7.212 -29.445 -9.880 1.00 13.43 H new ATOM 0 HG3 LYS A 103 8.012 -27.957 -10.344 1.00 13.43 H new ATOM 0 HD2 LYS A 103 9.603 -30.520 -10.258 1.00 33.12 H new ATOM 0 HD3 LYS A 103 8.535 -30.221 -11.615 1.00 33.12 H new ATOM 0 HE2 LYS A 103 9.719 -28.271 -12.281 1.00 12.33 H new ATOM 0 HE3 LYS A 103 10.509 -28.105 -10.726 1.00 12.33 H new ATOM 0 HZ1 LYS A 103 12.023 -28.962 -12.391 1.00 71.04 H new ATOM 0 HZ2 LYS A 103 11.771 -30.128 -11.182 1.00 71.04 H new ATOM 0 HZ3 LYS A 103 11.006 -30.288 -12.689 1.00 71.04 H new ATOM 1617 N PRO A 104 8.724 -25.202 -7.622 1.00 45.32 N ATOM 1618 CA PRO A 104 9.281 -23.912 -8.041 1.00 21.05 C ATOM 1619 C PRO A 104 10.803 -23.881 -7.949 1.00 34.11 C ATOM 1620 O PRO A 104 11.402 -24.629 -7.178 1.00 41.41 O ATOM 1621 CB PRO A 104 8.665 -22.922 -7.048 1.00 51.45 C ATOM 1622 CG PRO A 104 8.358 -23.738 -5.840 1.00 43.54 C ATOM 1623 CD PRO A 104 7.997 -25.106 -6.345 1.00 73.23 C ATOM 0 HA PRO A 104 9.055 -23.689 -9.084 1.00 21.05 H new ATOM 0 HB2 PRO A 104 9.358 -22.114 -6.814 1.00 51.45 H new ATOM 0 HB3 PRO A 104 7.764 -22.462 -7.455 1.00 51.45 H new ATOM 0 HG2 PRO A 104 9.217 -23.783 -5.171 1.00 43.54 H new ATOM 0 HG3 PRO A 104 7.536 -23.302 -5.273 1.00 43.54 H new ATOM 0 HD2 PRO A 104 8.305 -25.886 -5.648 1.00 73.23 H new ATOM 0 HD3 PRO A 104 6.921 -25.211 -6.486 1.00 73.23 H new ATOM 1631 N GLU A 105 11.421 -23.009 -8.740 1.00 65.21 N ATOM 1632 CA GLU A 105 12.874 -22.882 -8.748 1.00 21.04 C ATOM 1633 C GLU A 105 13.309 -21.661 -9.551 1.00 52.55 C ATOM 1634 O GLU A 105 12.761 -21.377 -10.615 1.00 42.03 O ATOM 1635 CB GLU A 105 13.515 -24.144 -9.328 1.00 44.13 C ATOM 1636 CG GLU A 105 14.970 -24.326 -8.929 1.00 1.31 C ATOM 1637 CD GLU A 105 15.395 -25.781 -8.920 1.00 64.15 C ATOM 1638 OE1 GLU A 105 15.048 -26.506 -9.877 1.00 2.34 O ATOM 1639 OE2 GLU A 105 16.075 -26.196 -7.959 1.00 50.20 O ATOM 0 H GLU A 105 10.939 -22.381 -9.383 1.00 65.21 H new ATOM 0 HA GLU A 105 13.208 -22.755 -7.718 1.00 21.04 H new ATOM 0 HB2 GLU A 105 12.946 -25.014 -9.001 1.00 44.13 H new ATOM 0 HB3 GLU A 105 13.447 -24.109 -10.415 1.00 44.13 H new ATOM 0 HG2 GLU A 105 15.604 -23.770 -9.620 1.00 1.31 H new ATOM 0 HG3 GLU A 105 15.127 -23.899 -7.938 1.00 1.31 H new TER 1646 GLU A 105 HETATM 1647 N IOR A 201 11.013 -2.646 -4.957 1.00 72.33 N HETATM 1648 CA IOR A 201 9.987 -3.681 -5.123 1.00 23.24 C HETATM 1649 C IOR A 201 10.121 -4.747 -4.073 1.00 63.11 C HETATM 1650 O IOR A 201 9.355 -4.736 -3.104 1.00 61.40 O HETATM 1651 CB IOR A 201 10.228 -4.439 -6.496 1.00 14.24 C HETATM 1652 CG IOR A 201 11.663 -4.921 -6.518 1.00 33.15 C HETATM 1653 CD IOR A 201 12.576 -4.217 -7.394 1.00 22.33 C HETATM 1654 NE IOR A 201 12.005 -4.423 -8.691 1.00 34.53 N HETATM 1655 C1 IOR A 201 11.403 -3.398 -9.304 1.00 31.24 C HETATM 1656 N5 IOR A 201 11.337 -2.153 -8.735 1.00 33.40 N HETATM 1657 N2 IOR A 201 10.762 -3.410 -10.558 1.00 32.14 N HETATM 1658 C4 IOR A 201 10.404 -1.450 -9.515 1.00 0.01 C HETATM 1659 O4 IOR A 201 10.405 -0.038 -9.457 1.00 52.11 O HETATM 1660 C3 IOR A 201 10.432 -2.068 -10.888 1.00 53.14 C HETATM 1661 C6 IOR A 201 11.598 -1.468 -11.688 1.00 75.24 C