USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 908 hydrogens (13 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 118 ALY H2 : A 118 ALY N : A 117 ALA C :(H bumps) USER MOD Set 1.1: A 116 ASN : amide:sc= -1.07! C(o=-2.5!,f=-5.1!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -1.45 K(o=-2.5,f=-5.4) USER MOD Set 2.1: A 82 MET CE :methyl -152:sc= -1.77 (180deg=-1.78!) USER MOD Set 2.2: A 86 GLN : amide:sc= -0.979 K(o=-2.7,f=-14!) USER MOD Set 3.1: A 62 SER OG : rot 160:sc= -0.731 USER MOD Set 3.2: A 70 ASN : amide:sc= -0.469 K(o=-1.2,f=-2.6!) USER MOD Set 4.1: A 5 TYR OH : rot 54:sc= 1.11! USER MOD Set 4.2: A 57 TYR OH : rot -46:sc= 1.31 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -3.45! C(o=-3.4!,f=-4.9!) USER MOD Single : A 8 TYR OH : rot 130:sc= -4.99! USER MOD Single : A 10 THR OG1 : rot 170:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.02 K(o=-0.02,f=-1.8) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 66:sc= 0.984 USER MOD Single : A 39 THR OG1 : rot -44:sc= 1.16 USER MOD Single : A 40 MET CE :methyl 154:sc= -3.97! (180deg=-5.89!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.096 X(o=-0.096,f=-0.12) USER MOD Single : A 73 SER OG : rot -66:sc= -0.806 USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= -0.708 (180deg=-0.753) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -131:sc= 0.456 USER MOD Single : A 105 SER OG : rot -160:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -138:sc= -0.0282 (180deg=-0.309) USER MOD Single : A 115 TYR OH : rot 9:sc= -0.496 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.984 K(o=-0.98,f=-2!) USER MOD Single : A 125 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -18.099 -15.882 11.273 1.00 3.92 N ATOM 2 CA PRO A 1 -18.219 -15.326 12.649 1.00 3.44 C ATOM 3 C PRO A 1 -17.287 -14.123 12.817 1.00 3.50 C ATOM 4 O PRO A 1 -16.444 -13.857 11.984 1.00 4.94 O ATOM 5 CB PRO A 1 -17.784 -16.476 13.549 1.00 2.00 C ATOM 6 CG PRO A 1 -16.897 -17.319 12.692 1.00 4.99 C ATOM 7 CD PRO A 1 -17.369 -17.153 11.271 1.00 3.38 C ATOM 0 H2 PRO A 1 -17.618 -15.211 10.674 1.00 3.92 H new ATOM 0 H3 PRO A 1 -19.029 -16.021 10.878 1.00 3.92 H new ATOM 0 HA PRO A 1 -19.224 -14.973 12.880 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.253 -16.111 14.428 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.643 -17.044 13.908 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -15.857 -17.009 12.791 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -16.948 -18.365 12.996 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -16.531 -17.128 10.575 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -18.012 -17.979 10.967 1.00 3.38 H new ATOM 17 N THR A 2 -17.431 -13.395 13.889 1.00 3.08 N ATOM 18 CA THR A 2 -16.551 -12.212 14.107 1.00 2.08 C ATOM 19 C THR A 2 -15.480 -12.534 15.152 1.00 2.52 C ATOM 20 O THR A 2 -15.781 -12.916 16.266 1.00 2.28 O ATOM 21 CB THR A 2 -17.484 -11.112 14.618 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.391 -10.747 13.588 1.00 3.73 O ATOM 23 CG2 THR A 2 -16.658 -9.892 15.031 1.00 3.09 C ATOM 0 H THR A 2 -18.118 -13.567 14.623 1.00 3.08 H new ATOM 0 HA THR A 2 -16.028 -11.914 13.198 1.00 2.08 H new ATOM 0 HB THR A 2 -18.042 -11.478 15.480 1.00 3.47 H new ATOM 0 HG1 THR A 2 -18.991 -10.044 13.914 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.323 -9.109 15.395 1.00 3.09 H new ATOM 0 HG22 THR A 2 -15.963 -10.174 15.822 1.00 3.09 H new ATOM 0 HG23 THR A 2 -16.099 -9.523 14.171 1.00 3.09 H new ATOM 31 N VAL A 3 -14.234 -12.379 14.802 1.00 10.00 N ATOM 32 CA VAL A 3 -13.145 -12.673 15.777 1.00 10.00 C ATOM 33 C VAL A 3 -12.290 -11.424 16.001 1.00 10.00 C ATOM 34 O VAL A 3 -11.764 -10.846 15.071 1.00 10.00 O ATOM 35 CB VAL A 3 -12.313 -13.777 15.124 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.180 -14.185 16.069 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.203 -14.989 14.841 1.00 10.00 C ATOM 0 H VAL A 3 -13.922 -12.062 13.884 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.533 -12.976 16.750 1.00 10.00 H new ATOM 0 HB VAL A 3 -11.893 -13.410 14.188 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.585 -14.972 15.606 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.546 -13.322 16.270 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.601 -14.552 17.005 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.609 -15.776 14.375 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.624 -15.358 15.776 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.011 -14.698 14.169 1.00 10.00 H new ATOM 47 N GLU A 4 -12.148 -10.999 17.225 1.00 10.00 N ATOM 48 CA GLU A 4 -11.328 -9.786 17.501 1.00 10.00 C ATOM 49 C GLU A 4 -9.844 -10.156 17.572 1.00 10.00 C ATOM 50 O GLU A 4 -9.411 -10.852 18.469 1.00 10.00 O ATOM 51 CB GLU A 4 -11.821 -9.275 18.854 1.00 50.00 C ATOM 52 CG GLU A 4 -11.602 -7.763 18.937 1.00 50.00 C ATOM 53 CD GLU A 4 -12.890 -7.086 19.411 1.00 50.00 C ATOM 54 OE1 GLU A 4 -13.212 -7.223 20.580 1.00 50.00 O ATOM 55 OE2 GLU A 4 -13.532 -6.443 18.597 1.00 50.00 O ATOM 0 H GLU A 4 -12.564 -11.439 18.046 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.429 -9.032 16.720 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.878 -9.508 18.980 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.286 -9.776 19.661 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.787 -7.540 19.625 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -11.311 -7.373 17.962 1.00 50.00 H new ATOM 62 N TYR A 5 -9.063 -9.698 16.633 1.00 10.00 N ATOM 63 CA TYR A 5 -7.608 -10.026 16.651 1.00 10.00 C ATOM 64 C TYR A 5 -6.839 -8.990 17.474 1.00 10.00 C ATOM 65 O TYR A 5 -7.161 -7.819 17.475 1.00 10.00 O ATOM 66 CB TYR A 5 -7.169 -9.982 15.187 1.00 10.00 C ATOM 67 CG TYR A 5 -7.452 -8.613 14.616 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.630 -7.531 14.951 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.535 -8.426 13.749 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.892 -6.262 14.421 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.796 -7.158 13.218 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.976 -6.076 13.553 1.00 50.00 C ATOM 73 OH TYR A 5 -8.233 -4.825 13.030 1.00 50.00 O ATOM 0 H TYR A 5 -9.367 -9.112 15.855 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.413 -10.998 17.104 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -6.105 -10.207 15.109 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.699 -10.743 14.614 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.793 -7.675 15.619 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -9.169 -9.261 13.490 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -6.259 -5.427 14.681 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.632 -7.015 12.549 1.00 50.00 H new ATOM 0 HH TYR A 5 -7.428 -4.483 12.589 1.00 50.00 H new ATOM 83 N LEU A 6 -5.822 -9.414 18.172 1.00 10.00 N ATOM 84 CA LEU A 6 -5.025 -8.459 18.994 1.00 10.00 C ATOM 85 C LEU A 6 -3.530 -8.712 18.781 1.00 10.00 C ATOM 86 O LEU A 6 -3.088 -9.841 18.714 1.00 10.00 O ATOM 87 CB LEU A 6 -5.422 -8.753 20.440 1.00 12.50 C ATOM 88 CG LEU A 6 -5.732 -7.440 21.161 1.00 12.50 C ATOM 89 CD1 LEU A 6 -5.925 -7.710 22.656 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.570 -6.465 20.965 1.00 50.00 C ATOM 0 H LEU A 6 -5.507 -10.384 18.209 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.215 -7.419 18.727 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.293 -9.407 20.463 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.615 -9.279 20.950 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.644 -7.007 20.750 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.146 -6.774 23.169 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.753 -8.405 22.796 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.014 -8.143 23.068 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.790 -5.529 21.478 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.658 -6.899 21.376 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.433 -6.272 19.901 1.00 50.00 H new ATOM 102 N ASN A 7 -2.746 -7.673 18.672 1.00 10.00 N ATOM 103 CA ASN A 7 -1.282 -7.865 18.460 1.00 10.00 C ATOM 104 C ASN A 7 -0.615 -8.342 19.751 1.00 10.00 C ATOM 105 O ASN A 7 -0.587 -7.643 20.744 1.00 10.00 O ATOM 106 CB ASN A 7 -0.757 -6.487 18.062 1.00 10.00 C ATOM 107 CG ASN A 7 0.737 -6.578 17.743 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.266 -7.656 17.561 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.443 -5.483 17.667 1.00 12.50 N ATOM 0 H ASN A 7 -3.055 -6.702 18.720 1.00 10.00 H new ATOM 0 HA ASN A 7 -1.071 -8.618 17.700 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.302 -6.116 17.194 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -0.924 -5.776 18.871 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.439 -5.532 17.455 1.00 12.50 H new ATOM 0 HD22 ASN A 7 0.998 -4.578 17.820 1.00 12.50 H new ATOM 116 N TYR A 8 -0.076 -9.531 19.742 1.00 50.00 N ATOM 117 CA TYR A 8 0.592 -10.060 20.965 1.00 50.00 C ATOM 118 C TYR A 8 1.726 -9.126 21.396 1.00 50.00 C ATOM 119 O TYR A 8 2.141 -9.124 22.537 1.00 50.00 O ATOM 120 CB TYR A 8 1.142 -11.423 20.548 1.00 50.00 C ATOM 121 CG TYR A 8 1.966 -12.003 21.671 1.00 50.00 C ATOM 122 CD1 TYR A 8 3.280 -11.565 21.873 1.00 50.00 C ATOM 123 CD2 TYR A 8 1.415 -12.981 22.509 1.00 50.00 C ATOM 124 CE1 TYR A 8 4.044 -12.105 22.915 1.00 50.00 C ATOM 125 CE2 TYR A 8 2.179 -13.519 23.550 1.00 50.00 C ATOM 126 CZ TYR A 8 3.494 -13.082 23.754 1.00 50.00 C ATOM 127 OH TYR A 8 4.246 -13.614 24.780 1.00 50.00 O ATOM 0 H TYR A 8 -0.070 -10.160 18.939 1.00 50.00 H new ATOM 0 HA TYR A 8 -0.089 -10.136 21.813 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.322 -12.097 20.300 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.753 -11.321 19.651 1.00 50.00 H new ATOM 0 HD1 TYR A 8 3.704 -10.811 21.226 1.00 50.00 H new ATOM 0 HD2 TYR A 8 0.401 -13.319 22.352 1.00 50.00 H new ATOM 0 HE1 TYR A 8 5.058 -11.768 23.072 1.00 50.00 H new ATOM 0 HE2 TYR A 8 1.754 -14.272 24.197 1.00 50.00 H new ATOM 0 HH TYR A 8 3.732 -13.579 25.614 1.00 50.00 H new ATOM 137 N GLU A 9 2.226 -8.330 20.492 1.00 25.00 N ATOM 138 CA GLU A 9 3.329 -7.396 20.857 1.00 25.00 C ATOM 139 C GLU A 9 2.789 -6.279 21.754 1.00 25.00 C ATOM 140 O GLU A 9 3.417 -5.884 22.715 1.00 25.00 O ATOM 141 CB GLU A 9 3.824 -6.826 19.527 1.00 50.00 C ATOM 142 CG GLU A 9 5.014 -5.898 19.780 1.00 50.00 C ATOM 143 CD GLU A 9 5.981 -5.976 18.597 1.00 50.00 C ATOM 144 OE1 GLU A 9 5.623 -5.501 17.533 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.063 -6.511 18.776 1.00 50.00 O ATOM 0 H GLU A 9 1.920 -8.285 19.520 1.00 25.00 H new ATOM 0 HA GLU A 9 4.129 -7.891 21.407 1.00 25.00 H new ATOM 0 HB2 GLU A 9 4.117 -7.636 18.859 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.021 -6.279 19.033 1.00 50.00 H new ATOM 0 HG2 GLU A 9 4.668 -4.873 19.914 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.524 -6.185 20.700 1.00 50.00 H new ATOM 152 N THR A 10 1.625 -5.773 21.449 1.00 50.00 N ATOM 153 CA THR A 10 1.044 -4.687 22.290 1.00 50.00 C ATOM 154 C THR A 10 0.804 -5.200 23.712 1.00 50.00 C ATOM 155 O THR A 10 0.952 -4.476 24.676 1.00 50.00 O ATOM 156 CB THR A 10 -0.282 -4.325 21.616 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.021 -3.609 20.416 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.115 -3.455 22.560 1.00 50.00 C ATOM 0 H THR A 10 1.052 -6.063 20.656 1.00 50.00 H new ATOM 0 HA THR A 10 1.705 -3.824 22.368 1.00 50.00 H new ATOM 0 HB THR A 10 -0.833 -5.236 21.384 1.00 50.00 H new ATOM 0 HG1 THR A 10 -0.851 -3.517 19.903 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.059 -3.198 22.080 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.314 -4.004 23.480 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.566 -2.543 22.793 1.00 50.00 H new ATOM 166 N LEU A 11 0.443 -6.447 23.851 1.00 50.00 N ATOM 167 CA LEU A 11 0.201 -7.005 25.212 1.00 50.00 C ATOM 168 C LEU A 11 1.516 -7.052 25.995 1.00 50.00 C ATOM 169 O LEU A 11 1.583 -6.648 27.139 1.00 50.00 O ATOM 170 CB LEU A 11 -0.333 -8.419 24.977 1.00 50.00 C ATOM 171 CG LEU A 11 -0.236 -9.227 26.274 1.00 50.00 C ATOM 172 CD1 LEU A 11 -0.858 -8.428 27.422 1.00 50.00 C ATOM 173 CD2 LEU A 11 -0.985 -10.549 26.109 1.00 50.00 C ATOM 0 H LEU A 11 0.305 -7.103 23.082 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.498 -6.401 25.790 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.369 -8.376 24.640 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.239 -8.908 24.188 1.00 50.00 H new ATOM 0 HG LEU A 11 0.812 -9.429 26.498 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -0.789 -9.003 28.345 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.323 -7.486 27.541 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -1.905 -8.225 27.199 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -0.916 -11.124 27.032 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -2.032 -10.348 25.884 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.542 -11.119 25.293 1.00 50.00 H new ATOM 185 N ASP A 12 2.561 -7.537 25.384 1.00 50.00 N ATOM 186 CA ASP A 12 3.870 -7.604 26.091 1.00 50.00 C ATOM 187 C ASP A 12 4.504 -6.213 26.147 1.00 50.00 C ATOM 188 O ASP A 12 4.906 -5.743 27.192 1.00 50.00 O ATOM 189 CB ASP A 12 4.727 -8.553 25.253 1.00 50.00 C ATOM 190 CG ASP A 12 5.856 -9.119 26.118 1.00 50.00 C ATOM 191 OD1 ASP A 12 5.866 -8.832 27.303 1.00 50.00 O ATOM 192 OD2 ASP A 12 6.689 -9.828 25.580 1.00 50.00 O ATOM 0 H ASP A 12 2.565 -7.889 24.427 1.00 50.00 H new ATOM 0 HA ASP A 12 3.770 -7.952 27.119 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.113 -9.364 24.861 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.142 -8.024 24.395 1.00 50.00 H new ATOM 197 N ASP A 13 4.590 -5.548 25.027 1.00 50.00 N ATOM 198 CA ASP A 13 5.191 -4.185 25.014 1.00 50.00 C ATOM 199 C ASP A 13 4.573 -3.329 26.122 1.00 50.00 C ATOM 200 O ASP A 13 5.263 -2.797 26.970 1.00 50.00 O ATOM 201 CB ASP A 13 4.843 -3.614 23.638 1.00 50.00 C ATOM 202 CG ASP A 13 5.584 -2.293 23.430 1.00 50.00 C ATOM 203 OD1 ASP A 13 6.598 -2.095 24.080 1.00 50.00 O ATOM 204 OD2 ASP A 13 5.126 -1.500 22.625 1.00 50.00 O ATOM 0 H ASP A 13 4.270 -5.890 24.121 1.00 50.00 H new ATOM 0 HA ASP A 13 6.267 -4.203 25.187 1.00 50.00 H new ATOM 0 HB2 ASP A 13 5.118 -4.324 22.858 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.767 -3.456 23.560 1.00 50.00 H new ATOM 209 N GLN A 14 3.275 -3.197 26.125 1.00 50.00 N ATOM 210 CA GLN A 14 2.610 -2.382 27.181 1.00 50.00 C ATOM 211 C GLN A 14 2.744 -3.076 28.538 1.00 50.00 C ATOM 212 O GLN A 14 2.543 -2.479 29.576 1.00 50.00 O ATOM 213 CB GLN A 14 1.143 -2.307 26.758 1.00 50.00 C ATOM 214 CG GLN A 14 0.634 -0.874 26.929 1.00 50.00 C ATOM 215 CD GLN A 14 0.977 -0.060 25.681 1.00 50.00 C ATOM 216 OE1 GLN A 14 2.081 -0.131 25.180 1.00 50.00 O ATOM 217 NE2 GLN A 14 0.069 0.716 25.154 1.00 50.00 N ATOM 0 H GLN A 14 2.646 -3.618 25.442 1.00 50.00 H new ATOM 0 HA GLN A 14 3.053 -1.392 27.283 1.00 50.00 H new ATOM 0 HB2 GLN A 14 1.037 -2.620 25.719 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.545 -2.991 27.360 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -0.444 -0.876 27.090 1.00 50.00 H new ATOM 0 HG3 GLN A 14 1.087 -0.418 27.810 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -0.858 0.775 25.575 1.00 50.00 H new ATOM 0 HE22 GLN A 14 0.287 1.263 24.321 1.00 50.00 H new ATOM 226 N GLY A 15 3.086 -4.336 28.535 1.00 50.00 N ATOM 227 CA GLY A 15 3.235 -5.071 29.821 1.00 50.00 C ATOM 228 C GLY A 15 1.872 -5.181 30.507 1.00 50.00 C ATOM 229 O GLY A 15 1.754 -5.016 31.704 1.00 50.00 O ATOM 0 H GLY A 15 3.268 -4.887 27.696 1.00 50.00 H new ATOM 0 HA2 GLY A 15 3.643 -6.065 29.639 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.940 -4.551 30.470 1.00 50.00 H new ATOM 233 N TRP A 16 0.840 -5.458 29.756 1.00 50.00 N ATOM 234 CA TRP A 16 -0.513 -5.579 30.368 1.00 50.00 C ATOM 235 C TRP A 16 -0.781 -7.030 30.771 1.00 50.00 C ATOM 236 O TRP A 16 0.056 -7.895 30.606 1.00 50.00 O ATOM 237 CB TRP A 16 -1.484 -5.130 29.275 1.00 50.00 C ATOM 238 CG TRP A 16 -1.515 -3.635 29.222 1.00 50.00 C ATOM 239 CD1 TRP A 16 -0.659 -2.818 29.879 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.427 -2.767 28.487 1.00 50.00 C ATOM 241 NE1 TRP A 16 -0.986 -1.505 29.594 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.069 -1.422 28.740 1.00 50.00 C ATOM 243 CE3 TRP A 16 -3.518 -3.013 27.634 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.769 -0.359 28.169 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.224 -1.945 27.056 1.00 50.00 C ATOM 246 CH2 TRP A 16 -3.849 -0.620 27.323 1.00 50.00 C ATOM 0 H TRP A 16 0.876 -5.605 28.747 1.00 50.00 H new ATOM 0 HA TRP A 16 -0.616 -4.978 31.271 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.175 -5.533 28.311 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.482 -5.519 29.478 1.00 50.00 H new ATOM 0 HD1 TRP A 16 0.148 -3.139 30.521 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -0.489 -0.697 29.968 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -3.815 -4.030 27.422 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -2.478 0.659 28.380 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.060 -2.145 26.402 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -4.395 0.197 26.875 1.00 50.00 H new ATOM 257 N ASP A 17 -1.940 -7.303 31.304 1.00 50.00 N ATOM 258 CA ASP A 17 -2.256 -8.698 31.723 1.00 50.00 C ATOM 259 C ASP A 17 -2.990 -9.440 30.604 1.00 50.00 C ATOM 260 O ASP A 17 -3.381 -8.859 29.611 1.00 50.00 O ATOM 261 CB ASP A 17 -3.158 -8.547 32.949 1.00 50.00 C ATOM 262 CG ASP A 17 -2.305 -8.593 34.219 1.00 50.00 C ATOM 263 OD1 ASP A 17 -1.395 -7.787 34.327 1.00 50.00 O ATOM 264 OD2 ASP A 17 -2.575 -9.433 35.061 1.00 50.00 O ATOM 0 H ASP A 17 -2.681 -6.622 31.467 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.357 -9.274 31.944 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -3.704 -7.605 32.898 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -3.901 -9.345 32.968 1.00 50.00 H new ATOM 269 N MET A 18 -3.177 -10.723 30.757 1.00 50.00 N ATOM 270 CA MET A 18 -3.880 -11.507 29.703 1.00 50.00 C ATOM 271 C MET A 18 -5.390 -11.260 29.770 1.00 50.00 C ATOM 272 O MET A 18 -6.048 -11.112 28.760 1.00 50.00 O ATOM 273 CB MET A 18 -3.562 -12.968 30.023 1.00 50.00 C ATOM 274 CG MET A 18 -3.523 -13.779 28.726 1.00 50.00 C ATOM 275 SD MET A 18 -3.400 -15.541 29.119 1.00 50.00 S ATOM 276 CE MET A 18 -5.053 -16.017 28.555 1.00 50.00 C ATOM 0 H MET A 18 -2.873 -11.262 31.568 1.00 50.00 H new ATOM 0 HA MET A 18 -3.560 -11.227 28.699 1.00 50.00 H new ATOM 0 HB2 MET A 18 -2.603 -13.038 30.537 1.00 50.00 H new ATOM 0 HB3 MET A 18 -4.316 -13.376 30.697 1.00 50.00 H new ATOM 0 HG2 MET A 18 -4.421 -13.588 28.138 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.673 -13.471 28.118 1.00 50.00 H new ATOM 0 HE1 MET A 18 -5.195 -17.087 28.707 1.00 50.00 H new ATOM 0 HE2 MET A 18 -5.804 -15.467 29.122 1.00 50.00 H new ATOM 0 HE3 MET A 18 -5.157 -15.785 27.495 1.00 50.00 H new ATOM 286 N ASP A 19 -5.947 -11.222 30.951 1.00 50.00 N ATOM 287 CA ASP A 19 -7.417 -10.994 31.071 1.00 50.00 C ATOM 288 C ASP A 19 -7.716 -9.862 32.060 1.00 50.00 C ATOM 289 O ASP A 19 -8.817 -9.350 32.113 1.00 50.00 O ATOM 290 CB ASP A 19 -7.977 -12.317 31.594 1.00 50.00 C ATOM 291 CG ASP A 19 -9.434 -12.122 32.015 1.00 50.00 C ATOM 292 OD1 ASP A 19 -9.655 -11.576 33.083 1.00 50.00 O ATOM 293 OD2 ASP A 19 -10.307 -12.523 31.262 1.00 50.00 O ATOM 0 H ASP A 19 -5.451 -11.338 31.834 1.00 50.00 H new ATOM 0 HA ASP A 19 -7.861 -10.701 30.120 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -7.910 -13.083 30.822 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -7.386 -12.665 32.441 1.00 50.00 H new ATOM 298 N ASP A 20 -6.754 -9.468 32.847 1.00 50.00 N ATOM 299 CA ASP A 20 -6.997 -8.374 33.832 1.00 50.00 C ATOM 300 C ASP A 20 -7.072 -7.020 33.121 1.00 50.00 C ATOM 301 O ASP A 20 -7.933 -6.209 33.401 1.00 50.00 O ATOM 302 CB ASP A 20 -5.796 -8.418 34.775 1.00 50.00 C ATOM 303 CG ASP A 20 -6.239 -8.023 36.185 1.00 50.00 C ATOM 304 OD1 ASP A 20 -7.302 -8.462 36.594 1.00 50.00 O ATOM 305 OD2 ASP A 20 -5.509 -7.289 36.831 1.00 50.00 O ATOM 0 H ASP A 20 -5.810 -9.855 32.852 1.00 50.00 H new ATOM 0 HA ASP A 20 -7.940 -8.502 34.363 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -5.365 -9.419 34.785 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -5.019 -7.739 34.423 1.00 50.00 H new ATOM 310 N ASP A 21 -6.175 -6.767 32.209 1.00 50.00 N ATOM 311 CA ASP A 21 -6.193 -5.463 31.486 1.00 50.00 C ATOM 312 C ASP A 21 -7.278 -5.462 30.407 1.00 50.00 C ATOM 313 O ASP A 21 -7.585 -4.442 29.823 1.00 50.00 O ATOM 314 CB ASP A 21 -4.807 -5.346 30.852 1.00 50.00 C ATOM 315 CG ASP A 21 -3.929 -4.432 31.708 1.00 50.00 C ATOM 316 OD1 ASP A 21 -3.312 -4.932 32.634 1.00 50.00 O ATOM 317 OD2 ASP A 21 -3.888 -3.246 31.424 1.00 50.00 O ATOM 0 H ASP A 21 -5.430 -7.406 31.932 1.00 50.00 H new ATOM 0 HA ASP A 21 -6.413 -4.628 32.151 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -4.350 -6.332 30.767 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -4.890 -4.946 29.842 1.00 50.00 H new ATOM 322 N ASP A 22 -7.861 -6.597 30.136 1.00 50.00 N ATOM 323 CA ASP A 22 -8.924 -6.657 29.091 1.00 50.00 C ATOM 324 C ASP A 22 -8.508 -5.832 27.870 1.00 50.00 C ATOM 325 O ASP A 22 -9.220 -4.949 27.433 1.00 50.00 O ATOM 326 CB ASP A 22 -10.163 -6.052 29.752 1.00 50.00 C ATOM 327 CG ASP A 22 -11.352 -6.998 29.567 1.00 50.00 C ATOM 328 OD1 ASP A 22 -11.118 -8.170 29.319 1.00 50.00 O ATOM 329 OD2 ASP A 22 -12.475 -6.535 29.678 1.00 50.00 O ATOM 0 H ASP A 22 -7.649 -7.485 30.592 1.00 50.00 H new ATOM 0 HA ASP A 22 -9.105 -7.673 28.741 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -9.978 -5.886 30.813 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -10.386 -5.080 29.312 1.00 50.00 H new ATOM 334 N LEU A 23 -7.360 -6.112 27.320 1.00 50.00 N ATOM 335 CA LEU A 23 -6.892 -5.344 26.130 1.00 50.00 C ATOM 336 C LEU A 23 -8.001 -5.260 25.077 1.00 50.00 C ATOM 337 O LEU A 23 -8.241 -4.219 24.498 1.00 50.00 O ATOM 338 CB LEU A 23 -5.704 -6.137 25.588 1.00 50.00 C ATOM 339 CG LEU A 23 -4.658 -6.305 26.690 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.691 -7.744 27.211 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.270 -5.998 26.124 1.00 50.00 C ATOM 0 H LEU A 23 -6.723 -6.841 27.643 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.620 -4.320 26.386 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -6.036 -7.113 25.235 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.268 -5.620 24.733 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.877 -5.619 27.508 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.945 -7.864 27.997 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -5.680 -7.963 27.613 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.471 -8.432 26.394 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.523 -6.117 26.908 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -3.051 -6.685 25.306 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.247 -4.973 25.753 1.00 50.00 H new ATOM 353 N PHE A 24 -8.678 -6.346 24.823 1.00 50.00 N ATOM 354 CA PHE A 24 -9.767 -6.322 23.805 1.00 50.00 C ATOM 355 C PHE A 24 -10.784 -5.236 24.153 1.00 50.00 C ATOM 356 O PHE A 24 -11.443 -4.687 23.293 1.00 50.00 O ATOM 357 CB PHE A 24 -10.413 -7.705 23.880 1.00 50.00 C ATOM 358 CG PHE A 24 -9.538 -8.708 23.169 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.349 -8.615 21.785 1.00 50.00 C ATOM 360 CD2 PHE A 24 -8.917 -9.734 23.892 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.539 -9.545 21.125 1.00 50.00 C ATOM 362 CE2 PHE A 24 -8.108 -10.666 23.231 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.918 -10.571 21.848 1.00 50.00 C ATOM 0 H PHE A 24 -8.525 -7.247 25.275 1.00 50.00 H new ATOM 0 HA PHE A 24 -9.394 -6.103 22.805 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.549 -7.999 24.921 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.402 -7.681 23.423 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.829 -7.825 21.227 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -9.062 -9.806 24.960 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.392 -9.472 20.057 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -7.631 -11.458 23.789 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.293 -11.289 21.338 1.00 50.00 H new ATOM 373 N GLU A 25 -10.913 -4.921 25.411 1.00 50.00 N ATOM 374 CA GLU A 25 -11.885 -3.867 25.820 1.00 50.00 C ATOM 375 C GLU A 25 -11.154 -2.544 26.058 1.00 50.00 C ATOM 376 O GLU A 25 -11.639 -1.484 25.714 1.00 50.00 O ATOM 377 CB GLU A 25 -12.503 -4.382 27.119 1.00 50.00 C ATOM 378 CG GLU A 25 -13.652 -3.463 27.534 1.00 50.00 C ATOM 379 CD GLU A 25 -13.256 -2.690 28.794 1.00 50.00 C ATOM 380 OE1 GLU A 25 -12.235 -2.025 28.760 1.00 50.00 O ATOM 381 OE2 GLU A 25 -13.980 -2.779 29.772 1.00 50.00 O ATOM 0 H GLU A 25 -10.388 -5.347 26.175 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.641 -3.680 25.057 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -12.868 -5.400 26.982 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -11.748 -4.417 27.905 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -13.887 -2.769 26.727 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -14.552 -4.049 27.722 1.00 50.00 H new ATOM 388 N LYS A 26 -9.991 -2.598 26.648 1.00 50.00 N ATOM 389 CA LYS A 26 -9.226 -1.344 26.910 1.00 50.00 C ATOM 390 C LYS A 26 -8.567 -0.847 25.622 1.00 50.00 C ATOM 391 O LYS A 26 -8.327 0.333 25.452 1.00 50.00 O ATOM 392 CB LYS A 26 -8.166 -1.740 27.937 1.00 50.00 C ATOM 393 CG LYS A 26 -8.530 -1.153 29.302 1.00 50.00 C ATOM 394 CD LYS A 26 -7.275 -0.576 29.960 1.00 50.00 C ATOM 395 CE LYS A 26 -6.626 0.439 29.017 1.00 50.00 C ATOM 396 NZ LYS A 26 -6.100 1.510 29.911 1.00 50.00 N ATOM 0 H LYS A 26 -9.537 -3.456 26.960 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.864 -0.537 27.270 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -8.097 -2.826 28.003 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -7.187 -1.377 27.623 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -9.283 -0.374 29.186 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -8.965 -1.925 29.937 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -7.534 -0.097 30.904 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -6.572 -1.376 30.190 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -5.826 -0.018 28.435 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -7.350 0.838 28.306 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -5.639 2.245 29.338 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -6.885 1.931 30.448 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -5.408 1.102 30.572 1.00 50.00 H new ATOM 410 N ALA A 27 -8.273 -1.735 24.714 1.00 50.00 N ATOM 411 CA ALA A 27 -7.632 -1.310 23.437 1.00 50.00 C ATOM 412 C ALA A 27 -8.582 -0.408 22.647 1.00 50.00 C ATOM 413 O ALA A 27 -8.199 0.219 21.679 1.00 50.00 O ATOM 414 CB ALA A 27 -7.364 -2.609 22.675 1.00 50.00 C ATOM 0 H ALA A 27 -8.448 -2.736 24.800 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.717 -0.741 23.602 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.891 -2.380 21.720 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.704 -3.246 23.263 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -8.306 -3.128 22.498 1.00 50.00 H new ATOM 420 N ALA A 28 -9.820 -0.337 23.054 1.00 50.00 N ATOM 421 CA ALA A 28 -10.796 0.526 22.327 1.00 50.00 C ATOM 422 C ALA A 28 -10.590 1.993 22.709 1.00 50.00 C ATOM 423 O ALA A 28 -10.885 2.891 21.946 1.00 50.00 O ATOM 424 CB ALA A 28 -12.172 0.040 22.785 1.00 50.00 C ATOM 0 H ALA A 28 -10.198 -0.838 23.858 1.00 50.00 H new ATOM 0 HA ALA A 28 -10.680 0.461 21.245 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.948 0.627 22.293 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -12.292 -1.011 22.523 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -12.258 0.157 23.865 1.00 50.00 H new ATOM 430 N ASP A 29 -10.085 2.241 23.885 1.00 50.00 N ATOM 431 CA ASP A 29 -9.858 3.650 24.319 1.00 50.00 C ATOM 432 C ASP A 29 -8.505 4.151 23.807 1.00 50.00 C ATOM 433 O ASP A 29 -8.221 5.332 23.826 1.00 50.00 O ATOM 434 CB ASP A 29 -9.866 3.598 25.847 1.00 50.00 C ATOM 435 CG ASP A 29 -10.516 4.868 26.398 1.00 50.00 C ATOM 436 OD1 ASP A 29 -11.728 4.872 26.549 1.00 50.00 O ATOM 437 OD2 ASP A 29 -9.794 5.815 26.660 1.00 50.00 O ATOM 0 H ASP A 29 -9.819 1.529 24.566 1.00 50.00 H new ATOM 0 HA ASP A 29 -10.616 4.329 23.929 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -10.413 2.719 26.189 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -8.847 3.505 26.224 1.00 50.00 H new ATOM 442 N ALA A 30 -7.667 3.261 23.351 1.00 50.00 N ATOM 443 CA ALA A 30 -6.332 3.686 22.840 1.00 50.00 C ATOM 444 C ALA A 30 -6.402 3.965 21.338 1.00 50.00 C ATOM 445 O ALA A 30 -6.246 5.085 20.895 1.00 50.00 O ATOM 446 CB ALA A 30 -5.406 2.503 23.123 1.00 50.00 C ATOM 0 H ALA A 30 -7.848 2.258 23.310 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.982 4.602 23.315 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -4.400 2.737 22.775 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.383 2.307 24.195 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.774 1.620 22.601 1.00 50.00 H new ATOM 452 N GLY A 31 -6.634 2.951 20.555 1.00 50.00 N ATOM 453 CA GLY A 31 -6.714 3.150 19.079 1.00 50.00 C ATOM 454 C GLY A 31 -5.449 2.591 18.425 1.00 50.00 C ATOM 455 O GLY A 31 -4.965 3.113 17.440 1.00 50.00 O ATOM 0 H GLY A 31 -6.772 1.991 20.872 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.596 2.649 18.680 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -6.819 4.210 18.848 1.00 50.00 H new ATOM 459 N LEU A 32 -4.911 1.534 18.965 1.00 50.00 N ATOM 460 CA LEU A 32 -3.675 0.941 18.376 1.00 50.00 C ATOM 461 C LEU A 32 -3.843 0.750 16.866 1.00 50.00 C ATOM 462 O LEU A 32 -4.878 1.046 16.304 1.00 50.00 O ATOM 463 CB LEU A 32 -3.514 -0.408 19.077 1.00 50.00 C ATOM 464 CG LEU A 32 -3.196 -0.177 20.556 1.00 50.00 C ATOM 465 CD1 LEU A 32 -3.972 -1.182 21.409 1.00 50.00 C ATOM 466 CD2 LEU A 32 -1.694 -0.360 20.789 1.00 50.00 C ATOM 0 H LEU A 32 -5.273 1.054 19.789 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.803 1.580 18.515 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.428 -0.994 18.977 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -2.715 -0.982 18.607 1.00 50.00 H new ATOM 0 HG LEU A 32 -3.486 0.836 20.836 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -3.745 -1.017 22.462 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -5.041 -1.051 21.243 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -3.683 -2.195 21.130 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.467 -0.196 21.842 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -1.403 -1.372 20.509 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -1.142 0.358 20.182 1.00 50.00 H new ATOM 478 N ASP A 33 -2.830 0.258 16.207 1.00 50.00 N ATOM 479 CA ASP A 33 -2.926 0.050 14.734 1.00 50.00 C ATOM 480 C ASP A 33 -4.090 -0.890 14.404 1.00 50.00 C ATOM 481 O ASP A 33 -4.608 -1.579 15.261 1.00 50.00 O ATOM 482 CB ASP A 33 -1.595 -0.587 14.335 1.00 50.00 C ATOM 483 CG ASP A 33 -0.983 0.197 13.173 1.00 50.00 C ATOM 484 OD1 ASP A 33 -0.989 1.415 13.239 1.00 50.00 O ATOM 485 OD2 ASP A 33 -0.519 -0.434 12.237 1.00 50.00 O ATOM 0 H ASP A 33 -1.939 -0.009 16.625 1.00 50.00 H new ATOM 0 HA ASP A 33 -3.109 0.982 14.199 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -0.912 -0.591 15.185 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -1.749 -1.626 14.045 1.00 50.00 H new ATOM 490 N GLY A 34 -4.505 -0.922 13.166 1.00 50.00 N ATOM 491 CA GLY A 34 -5.635 -1.813 12.779 1.00 50.00 C ATOM 492 C GLY A 34 -5.111 -3.233 12.557 1.00 50.00 C ATOM 493 O GLY A 34 -5.801 -4.204 12.799 1.00 50.00 O ATOM 0 H GLY A 34 -4.109 -0.369 12.406 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.396 -1.813 13.559 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.110 -1.443 11.870 1.00 50.00 H new ATOM 497 N GLU A 35 -3.897 -3.363 12.098 1.00 50.00 N ATOM 498 CA GLU A 35 -3.332 -4.723 11.864 1.00 50.00 C ATOM 499 C GLU A 35 -2.917 -5.358 13.195 1.00 50.00 C ATOM 500 O GLU A 35 -2.392 -6.453 13.236 1.00 50.00 O ATOM 501 CB GLU A 35 -2.113 -4.499 10.963 1.00 50.00 C ATOM 502 CG GLU A 35 -0.944 -3.964 11.796 1.00 50.00 C ATOM 503 CD GLU A 35 0.107 -5.062 11.968 1.00 50.00 C ATOM 504 OE1 GLU A 35 -0.127 -6.161 11.490 1.00 50.00 O ATOM 505 OE2 GLU A 35 1.129 -4.788 12.575 1.00 50.00 O ATOM 0 H GLU A 35 -3.272 -2.588 11.875 1.00 50.00 H new ATOM 0 HA GLU A 35 -4.054 -5.399 11.405 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.829 -5.434 10.480 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -2.360 -3.793 10.170 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -0.502 -3.097 11.306 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -1.301 -3.632 12.771 1.00 50.00 H new ATOM 512 N ASP A 36 -3.149 -4.675 14.282 1.00 50.00 N ATOM 513 CA ASP A 36 -2.770 -5.230 15.612 1.00 50.00 C ATOM 514 C ASP A 36 -4.027 -5.536 16.433 1.00 50.00 C ATOM 515 O ASP A 36 -4.166 -6.601 17.000 1.00 50.00 O ATOM 516 CB ASP A 36 -1.955 -4.120 16.278 1.00 50.00 C ATOM 517 CG ASP A 36 -0.489 -4.236 15.852 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.169 -5.183 15.154 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.287 -3.376 16.233 1.00 50.00 O ATOM 0 H ASP A 36 -3.586 -3.754 14.306 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.209 -6.161 15.530 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.351 -3.144 15.995 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -2.037 -4.195 17.362 1.00 50.00 H new ATOM 524 N TYR A 37 -4.943 -4.608 16.502 1.00 12.50 N ATOM 525 CA TYR A 37 -6.188 -4.848 17.287 1.00 12.50 C ATOM 526 C TYR A 37 -7.419 -4.430 16.478 1.00 12.50 C ATOM 527 O TYR A 37 -7.409 -3.430 15.787 1.00 12.50 O ATOM 528 CB TYR A 37 -6.044 -3.971 18.532 1.00 12.50 C ATOM 529 CG TYR A 37 -7.379 -3.870 19.231 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.050 -5.032 19.629 1.00 50.00 C ATOM 531 CD2 TYR A 37 -7.947 -2.614 19.477 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.287 -4.939 20.277 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.184 -2.521 20.125 1.00 50.00 C ATOM 534 CZ TYR A 37 -9.854 -3.683 20.524 1.00 12.50 C ATOM 535 OH TYR A 37 -11.075 -3.591 21.162 1.00 50.00 O ATOM 0 H TYR A 37 -4.883 -3.696 16.050 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.319 -5.900 17.539 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.300 -4.396 19.205 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.691 -2.978 18.252 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.613 -6.001 19.436 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.431 -1.717 19.167 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.804 -5.835 20.586 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.621 -1.552 20.317 1.00 50.00 H new ATOM 0 HH TYR A 37 -10.986 -3.908 22.085 1.00 50.00 H new ATOM 545 N GLY A 38 -8.478 -5.188 16.558 1.00 10.00 N ATOM 546 CA GLY A 38 -9.706 -4.834 15.793 1.00 10.00 C ATOM 547 C GLY A 38 -10.632 -6.049 15.725 1.00 10.00 C ATOM 548 O GLY A 38 -10.259 -7.147 16.086 1.00 10.00 O ATOM 0 H GLY A 38 -8.546 -6.037 17.120 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.218 -4.000 16.272 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.440 -4.509 14.787 1.00 10.00 H new ATOM 552 N THR A 39 -11.839 -5.862 15.263 1.00 10.00 N ATOM 553 CA THR A 39 -12.785 -7.010 15.172 1.00 10.00 C ATOM 554 C THR A 39 -12.733 -7.628 13.773 1.00 10.00 C ATOM 555 O THR A 39 -13.072 -6.996 12.792 1.00 10.00 O ATOM 556 CB THR A 39 -14.166 -6.410 15.443 1.00 50.00 C ATOM 557 OG1 THR A 39 -14.049 -5.371 16.404 1.00 50.00 O ATOM 558 CG2 THR A 39 -15.100 -7.498 15.974 1.00 50.00 C ATOM 0 H THR A 39 -12.210 -4.966 14.946 1.00 10.00 H new ATOM 0 HA THR A 39 -12.540 -7.803 15.879 1.00 10.00 H new ATOM 0 HB THR A 39 -14.575 -6.004 14.518 1.00 50.00 H new ATOM 0 HG1 THR A 39 -13.455 -5.660 17.128 1.00 50.00 H new ATOM 0 HG21 THR A 39 -16.084 -7.070 16.167 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.189 -8.294 15.235 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.694 -7.906 16.899 1.00 50.00 H new ATOM 566 N MET A 40 -12.309 -8.858 13.671 1.00 10.00 N ATOM 567 CA MET A 40 -12.236 -9.511 12.332 1.00 10.00 C ATOM 568 C MET A 40 -13.581 -10.157 11.986 1.00 10.00 C ATOM 569 O MET A 40 -14.194 -10.811 12.804 1.00 10.00 O ATOM 570 CB MET A 40 -11.148 -10.577 12.464 1.00 10.00 C ATOM 571 CG MET A 40 -10.179 -10.462 11.285 1.00 10.00 C ATOM 572 SD MET A 40 -8.787 -11.591 11.537 1.00 12.50 S ATOM 573 CE MET A 40 -9.385 -12.925 10.471 1.00 50.00 C ATOM 0 H MET A 40 -12.010 -9.438 14.455 1.00 10.00 H new ATOM 0 HA MET A 40 -12.011 -8.798 11.539 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.611 -10.450 13.404 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.597 -11.570 12.485 1.00 10.00 H new ATOM 0 HG2 MET A 40 -10.692 -10.702 10.354 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.819 -9.437 11.195 1.00 10.00 H new ATOM 0 HE1 MET A 40 -8.538 -13.504 10.103 1.00 50.00 H new ATOM 0 HE2 MET A 40 -10.049 -13.575 11.040 1.00 50.00 H new ATOM 0 HE3 MET A 40 -9.928 -12.500 9.627 1.00 50.00 H new ATOM 583 N GLU A 41 -14.042 -9.978 10.779 1.00 10.00 N ATOM 584 CA GLU A 41 -15.347 -10.583 10.382 1.00 10.00 C ATOM 585 C GLU A 41 -15.138 -11.610 9.266 1.00 10.00 C ATOM 586 O GLU A 41 -15.185 -11.285 8.096 1.00 10.00 O ATOM 587 CB GLU A 41 -16.189 -9.411 9.880 1.00 10.00 C ATOM 588 CG GLU A 41 -17.312 -9.125 10.879 1.00 10.00 C ATOM 589 CD GLU A 41 -18.266 -8.084 10.289 1.00 12.50 C ATOM 590 OE1 GLU A 41 -18.527 -8.157 9.100 1.00 12.50 O ATOM 591 OE2 GLU A 41 -18.717 -7.232 11.037 1.00 12.50 O ATOM 0 H GLU A 41 -13.573 -9.440 10.050 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.827 -11.107 11.208 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -15.564 -8.527 9.756 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -16.609 -9.644 8.901 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.854 -10.043 11.106 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -16.894 -8.761 11.818 1.00 10.00 H new ATOM 598 N VAL A 42 -14.910 -12.846 9.616 1.00 10.00 N ATOM 599 CA VAL A 42 -14.703 -13.889 8.572 1.00 10.00 C ATOM 600 C VAL A 42 -15.915 -14.823 8.510 1.00 10.00 C ATOM 601 O VAL A 42 -16.640 -14.979 9.473 1.00 10.00 O ATOM 602 CB VAL A 42 -13.454 -14.656 9.016 1.00 10.00 C ATOM 603 CG1 VAL A 42 -12.377 -13.663 9.459 1.00 10.00 C ATOM 604 CG2 VAL A 42 -13.805 -15.581 10.183 1.00 10.00 C ATOM 0 H VAL A 42 -14.858 -13.179 10.579 1.00 10.00 H new ATOM 0 HA VAL A 42 -14.583 -13.459 7.578 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.081 -15.252 8.183 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -11.488 -14.208 9.775 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -12.123 -13.006 8.627 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -12.752 -13.067 10.291 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -12.914 -16.125 10.497 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -14.180 -14.988 11.017 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -14.571 -16.290 9.868 1.00 10.00 H new ATOM 614 N ALA A 43 -16.142 -15.447 7.386 1.00 10.00 N ATOM 615 CA ALA A 43 -17.307 -16.369 7.271 1.00 10.00 C ATOM 616 C ALA A 43 -16.980 -17.711 7.928 1.00 10.00 C ATOM 617 O ALA A 43 -15.844 -17.993 8.255 1.00 10.00 O ATOM 618 CB ALA A 43 -17.527 -16.546 5.768 1.00 50.00 C ATOM 0 H ALA A 43 -15.572 -15.358 6.545 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.195 -15.979 7.768 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.371 -17.214 5.600 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -17.735 -15.577 5.314 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -16.631 -16.973 5.317 1.00 50.00 H new ATOM 624 N GLU A 44 -17.966 -18.542 8.128 1.00 10.00 N ATOM 625 CA GLU A 44 -17.706 -19.863 8.766 1.00 10.00 C ATOM 626 C GLU A 44 -16.895 -20.755 7.824 1.00 10.00 C ATOM 627 O GLU A 44 -17.352 -21.131 6.762 1.00 10.00 O ATOM 628 CB GLU A 44 -19.090 -20.462 9.019 1.00 10.00 C ATOM 629 CG GLU A 44 -18.989 -21.549 10.090 1.00 10.00 C ATOM 630 CD GLU A 44 -19.185 -22.922 9.443 1.00 25.00 C ATOM 631 OE1 GLU A 44 -20.326 -23.327 9.293 1.00 25.00 O ATOM 632 OE2 GLU A 44 -18.190 -23.544 9.109 1.00 25.00 O ATOM 0 H GLU A 44 -18.939 -18.364 7.878 1.00 10.00 H new ATOM 0 HA GLU A 44 -17.130 -19.771 9.687 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.781 -19.683 9.341 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.490 -20.882 8.096 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -18.017 -21.502 10.581 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -19.743 -21.387 10.860 1.00 10.00 H new ATOM 639 N GLY A 45 -15.694 -21.093 8.202 1.00 10.00 N ATOM 640 CA GLY A 45 -14.852 -21.956 7.328 1.00 10.00 C ATOM 641 C GLY A 45 -13.817 -21.090 6.607 1.00 10.00 C ATOM 642 O GLY A 45 -13.100 -21.555 5.743 1.00 10.00 O ATOM 0 H GLY A 45 -15.259 -20.809 9.079 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.352 -22.719 7.924 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -15.476 -22.477 6.602 1.00 10.00 H new ATOM 646 N GLU A 46 -13.734 -19.834 6.953 1.00 10.00 N ATOM 647 CA GLU A 46 -12.744 -18.943 6.283 1.00 10.00 C ATOM 648 C GLU A 46 -11.421 -18.948 7.054 1.00 10.00 C ATOM 649 O GLU A 46 -11.330 -18.436 8.151 1.00 10.00 O ATOM 650 CB GLU A 46 -13.378 -17.554 6.315 1.00 10.00 C ATOM 651 CG GLU A 46 -13.557 -17.045 4.883 1.00 10.00 C ATOM 652 CD GLU A 46 -13.826 -15.539 4.907 1.00 10.00 C ATOM 653 OE1 GLU A 46 -12.879 -14.791 5.085 1.00 10.00 O ATOM 654 OE2 GLU A 46 -14.974 -15.160 4.747 1.00 10.00 O ATOM 0 H GLU A 46 -14.307 -19.387 7.669 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.519 -19.265 5.266 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.342 -17.594 6.822 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -12.748 -16.867 6.881 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -12.663 -17.256 4.296 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -14.385 -17.565 4.401 1.00 10.00 H new ATOM 661 N TYR A 47 -10.398 -19.523 6.487 1.00 10.00 N ATOM 662 CA TYR A 47 -9.082 -19.561 7.187 1.00 10.00 C ATOM 663 C TYR A 47 -8.763 -18.184 7.778 1.00 10.00 C ATOM 664 O TYR A 47 -8.647 -17.205 7.069 1.00 10.00 O ATOM 665 CB TYR A 47 -8.070 -19.933 6.103 1.00 10.00 C ATOM 666 CG TYR A 47 -8.411 -21.294 5.546 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.665 -22.363 6.415 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.477 -21.488 4.161 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.985 -23.624 5.899 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.796 -22.751 3.645 1.00 10.00 C ATOM 671 CZ TYR A 47 -9.050 -23.818 4.514 1.00 10.00 C ATOM 672 OH TYR A 47 -9.368 -25.061 4.006 1.00 10.00 O ATOM 0 H TYR A 47 -10.415 -19.968 5.570 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.069 -20.271 8.014 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.083 -19.188 5.307 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.062 -19.939 6.518 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.614 -22.214 7.483 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -8.282 -20.664 3.490 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -9.182 -24.448 6.569 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.846 -22.901 2.577 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.371 -25.023 3.027 1.00 10.00 H new ATOM 682 N ILE A 48 -8.627 -18.103 9.073 1.00 10.00 N ATOM 683 CA ILE A 48 -8.321 -16.791 9.713 1.00 10.00 C ATOM 684 C ILE A 48 -7.242 -16.046 8.918 1.00 10.00 C ATOM 685 O ILE A 48 -7.511 -15.052 8.273 1.00 10.00 O ATOM 686 CB ILE A 48 -7.825 -17.145 11.119 1.00 10.00 C ATOM 687 CG1 ILE A 48 -9.026 -17.430 12.023 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.025 -15.975 11.698 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.742 -18.667 12.879 1.00 10.00 C ATOM 0 H ILE A 48 -8.715 -18.889 9.717 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.188 -16.132 9.745 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.186 -18.026 11.063 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.224 -16.570 12.663 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.919 -17.591 11.419 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.675 -16.233 12.698 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.169 -15.767 11.056 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -7.661 -15.091 11.753 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.598 -18.869 13.522 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -8.565 -19.525 12.231 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -7.860 -18.489 13.494 1.00 10.00 H new ATOM 701 N LEU A 49 -6.023 -16.514 8.962 1.00 10.00 N ATOM 702 CA LEU A 49 -4.934 -15.823 8.208 1.00 10.00 C ATOM 703 C LEU A 49 -5.429 -15.415 6.818 1.00 10.00 C ATOM 704 O LEU A 49 -5.136 -14.340 6.336 1.00 10.00 O ATOM 705 CB LEU A 49 -3.809 -16.851 8.095 1.00 10.00 C ATOM 706 CG LEU A 49 -2.742 -16.336 7.126 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.368 -16.859 7.553 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.056 -16.827 5.712 1.00 10.00 C ATOM 0 H LEU A 49 -5.734 -17.341 9.485 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.603 -14.913 8.708 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.368 -17.032 9.075 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.206 -17.803 7.743 1.00 10.00 H new ATOM 0 HG LEU A 49 -2.737 -15.246 7.140 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -0.608 -16.492 6.863 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -1.142 -16.509 8.560 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.374 -17.949 7.540 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -2.296 -16.460 5.022 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.063 -17.917 5.698 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -4.034 -16.454 5.406 1.00 10.00 H new ATOM 720 N GLU A 50 -6.178 -16.266 6.172 1.00 10.00 N ATOM 721 CA GLU A 50 -6.692 -15.928 4.814 1.00 10.00 C ATOM 722 C GLU A 50 -7.830 -14.909 4.914 1.00 10.00 C ATOM 723 O GLU A 50 -7.849 -13.914 4.218 1.00 10.00 O ATOM 724 CB GLU A 50 -7.205 -17.252 4.246 1.00 10.00 C ATOM 725 CG GLU A 50 -7.141 -17.213 2.718 1.00 10.00 C ATOM 726 CD GLU A 50 -5.891 -17.956 2.243 1.00 50.00 C ATOM 727 OE1 GLU A 50 -5.611 -19.012 2.785 1.00 50.00 O ATOM 728 OE2 GLU A 50 -5.234 -17.455 1.344 1.00 50.00 O ATOM 0 H GLU A 50 -6.457 -17.181 6.526 1.00 10.00 H new ATOM 0 HA GLU A 50 -5.924 -15.482 4.182 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -6.604 -18.079 4.624 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.230 -17.427 4.573 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -8.034 -17.672 2.294 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -7.118 -16.180 2.370 1.00 10.00 H new ATOM 735 N ALA A 51 -8.781 -15.149 5.775 1.00 10.00 N ATOM 736 CA ALA A 51 -9.917 -14.193 5.918 1.00 10.00 C ATOM 737 C ALA A 51 -9.393 -12.770 6.108 1.00 10.00 C ATOM 738 O ALA A 51 -9.761 -11.857 5.394 1.00 10.00 O ATOM 739 CB ALA A 51 -10.672 -14.657 7.164 1.00 12.50 C ATOM 0 H ALA A 51 -8.821 -15.965 6.386 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.556 -14.179 5.035 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.526 -14.002 7.337 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.023 -15.679 7.018 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.007 -14.622 8.027 1.00 12.50 H new ATOM 745 N ALA A 52 -8.540 -12.578 7.068 1.00 10.00 N ATOM 746 CA ALA A 52 -7.987 -11.216 7.318 1.00 10.00 C ATOM 747 C ALA A 52 -7.121 -10.767 6.139 1.00 10.00 C ATOM 748 O ALA A 52 -7.100 -9.606 5.778 1.00 10.00 O ATOM 749 CB ALA A 52 -7.141 -11.359 8.583 1.00 10.00 C ATOM 0 H ALA A 52 -8.198 -13.306 7.695 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.771 -10.468 7.434 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.697 -10.396 8.835 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -7.772 -11.694 9.406 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.350 -12.089 8.411 1.00 10.00 H new ATOM 755 N GLU A 53 -6.408 -11.674 5.537 1.00 10.00 N ATOM 756 CA GLU A 53 -5.544 -11.297 4.382 1.00 10.00 C ATOM 757 C GLU A 53 -6.361 -10.527 3.346 1.00 10.00 C ATOM 758 O GLU A 53 -5.909 -9.552 2.779 1.00 10.00 O ATOM 759 CB GLU A 53 -5.049 -12.621 3.799 1.00 10.00 C ATOM 760 CG GLU A 53 -3.886 -12.353 2.842 1.00 10.00 C ATOM 761 CD GLU A 53 -4.067 -13.186 1.571 1.00 10.00 C ATOM 762 OE1 GLU A 53 -4.242 -14.387 1.694 1.00 10.00 O ATOM 763 OE2 GLU A 53 -4.027 -12.609 0.498 1.00 10.00 O ATOM 0 H GLU A 53 -6.385 -12.661 5.793 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.716 -10.653 4.680 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.729 -13.287 4.601 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.859 -13.124 3.272 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -3.844 -11.293 2.592 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -2.941 -12.605 3.323 1.00 10.00 H new ATOM 770 N ALA A 54 -7.563 -10.958 3.103 1.00 10.00 N ATOM 771 CA ALA A 54 -8.422 -10.254 2.108 1.00 10.00 C ATOM 772 C ALA A 54 -8.733 -8.838 2.599 1.00 10.00 C ATOM 773 O ALA A 54 -9.173 -7.992 1.847 1.00 10.00 O ATOM 774 CB ALA A 54 -9.700 -11.088 2.026 1.00 50.00 C ATOM 0 H ALA A 54 -7.992 -11.769 3.550 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.940 -10.157 1.135 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.386 -10.633 1.311 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.455 -12.099 1.701 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.172 -11.127 3.008 1.00 50.00 H new ATOM 780 N GLN A 55 -8.506 -8.577 3.857 1.00 10.00 N ATOM 781 CA GLN A 55 -8.783 -7.218 4.400 1.00 10.00 C ATOM 782 C GLN A 55 -7.500 -6.383 4.404 1.00 10.00 C ATOM 783 O GLN A 55 -7.535 -5.171 4.334 1.00 10.00 O ATOM 784 CB GLN A 55 -9.274 -7.458 5.827 1.00 10.00 C ATOM 785 CG GLN A 55 -10.447 -8.441 5.804 1.00 10.00 C ATOM 786 CD GLN A 55 -11.584 -7.857 4.963 1.00 10.00 C ATOM 787 OE1 GLN A 55 -12.039 -6.758 5.215 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.067 -8.550 3.968 1.00 10.00 N ATOM 0 H GLN A 55 -8.140 -9.248 4.533 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.515 -6.672 3.804 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.465 -7.855 6.440 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.584 -6.516 6.280 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.127 -9.397 5.389 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.793 -8.635 6.819 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -11.686 -9.472 3.756 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -12.826 -8.170 3.402 1.00 10.00 H new ATOM 797 N GLY A 56 -6.365 -7.024 4.480 1.00 10.00 N ATOM 798 CA GLY A 56 -5.080 -6.271 4.484 1.00 10.00 C ATOM 799 C GLY A 56 -4.301 -6.588 5.762 1.00 10.00 C ATOM 800 O GLY A 56 -3.313 -5.953 6.072 1.00 10.00 O ATOM 0 H GLY A 56 -6.273 -8.038 4.540 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.487 -6.539 3.609 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.274 -5.200 4.421 1.00 10.00 H new ATOM 804 N TYR A 57 -4.735 -7.568 6.507 1.00 10.00 N ATOM 805 CA TYR A 57 -4.017 -7.924 7.765 1.00 10.00 C ATOM 806 C TYR A 57 -2.761 -8.741 7.444 1.00 10.00 C ATOM 807 O TYR A 57 -2.639 -9.316 6.381 1.00 10.00 O ATOM 808 CB TYR A 57 -5.015 -8.761 8.566 1.00 10.00 C ATOM 809 CG TYR A 57 -6.116 -7.870 9.088 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.802 -6.767 9.889 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.450 -8.148 8.769 1.00 10.00 C ATOM 812 CE1 TYR A 57 -6.824 -5.941 10.373 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.472 -7.323 9.254 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.159 -6.219 10.056 1.00 12.50 C ATOM 815 OH TYR A 57 -9.165 -5.405 10.535 1.00 12.50 O ATOM 0 H TYR A 57 -5.555 -8.138 6.299 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.688 -7.044 8.318 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.435 -9.545 7.937 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.508 -9.255 9.395 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.772 -6.553 10.134 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.691 -8.999 8.149 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.582 -5.089 10.991 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.502 -7.538 9.009 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.014 -5.224 11.486 1.00 12.50 H new ATOM 825 N ASP A 58 -1.825 -8.797 8.354 1.00 10.00 N ATOM 826 CA ASP A 58 -0.578 -9.575 8.097 1.00 10.00 C ATOM 827 C ASP A 58 -0.355 -10.605 9.210 1.00 10.00 C ATOM 828 O ASP A 58 -0.504 -10.311 10.379 1.00 10.00 O ATOM 829 CB ASP A 58 0.544 -8.537 8.093 1.00 10.00 C ATOM 830 CG ASP A 58 1.306 -8.614 6.768 1.00 10.00 C ATOM 831 OD1 ASP A 58 0.660 -8.603 5.734 1.00 10.00 O ATOM 832 OD2 ASP A 58 2.524 -8.682 6.811 1.00 10.00 O ATOM 0 H ASP A 58 -1.870 -8.338 9.264 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.624 -10.128 7.159 1.00 10.00 H new ATOM 0 HB2 ASP A 58 0.130 -7.538 8.229 1.00 10.00 H new ATOM 0 HB3 ASP A 58 1.223 -8.717 8.926 1.00 10.00 H new ATOM 837 N TRP A 59 0.000 -11.811 8.855 1.00 10.00 N ATOM 838 CA TRP A 59 0.231 -12.862 9.892 1.00 10.00 C ATOM 839 C TRP A 59 1.519 -13.630 9.588 1.00 10.00 C ATOM 840 O TRP A 59 1.886 -13.797 8.443 1.00 10.00 O ATOM 841 CB TRP A 59 -0.974 -13.800 9.790 1.00 10.00 C ATOM 842 CG TRP A 59 -2.238 -13.002 9.779 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.628 -12.184 8.776 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.283 -12.937 10.791 1.00 10.00 C ATOM 845 NE1 TRP A 59 -3.838 -11.612 9.113 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.286 -12.045 10.344 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.457 -13.554 12.043 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.419 -11.776 11.109 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.599 -13.286 12.815 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.578 -12.398 12.349 1.00 50.00 C ATOM 0 H TRP A 59 0.140 -12.115 7.892 1.00 10.00 H new ATOM 0 HA TRP A 59 0.335 -12.434 10.889 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -0.904 -14.400 8.882 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -0.979 -14.494 10.631 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.082 -12.007 7.861 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.341 -10.949 8.523 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.708 -14.238 12.413 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.170 -11.090 10.745 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.724 -13.767 13.774 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.454 -12.195 12.948 1.00 50.00 H new ATOM 861 N PRO A 60 2.157 -14.087 10.632 1.00 10.00 N ATOM 862 CA PRO A 60 3.410 -14.861 10.474 1.00 10.00 C ATOM 863 C PRO A 60 3.083 -16.264 9.959 1.00 10.00 C ATOM 864 O PRO A 60 2.160 -16.904 10.422 1.00 10.00 O ATOM 865 CB PRO A 60 3.977 -14.921 11.889 1.00 10.00 C ATOM 866 CG PRO A 60 2.792 -14.754 12.788 1.00 10.00 C ATOM 867 CD PRO A 60 1.779 -13.924 12.041 1.00 10.00 C ATOM 0 HA PRO A 60 4.110 -14.420 9.764 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.481 -15.870 12.072 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.712 -14.133 12.054 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.373 -15.724 13.056 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.081 -14.264 13.718 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.763 -14.273 12.225 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.817 -12.878 12.346 1.00 10.00 H new ATOM 875 N PHE A 61 3.821 -16.745 8.999 1.00 10.00 N ATOM 876 CA PHE A 61 3.533 -18.104 8.459 1.00 10.00 C ATOM 877 C PHE A 61 4.765 -18.669 7.753 1.00 10.00 C ATOM 878 O PHE A 61 5.581 -17.942 7.223 1.00 10.00 O ATOM 879 CB PHE A 61 2.391 -17.899 7.464 1.00 10.00 C ATOM 880 CG PHE A 61 2.883 -17.082 6.292 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.684 -17.677 5.311 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.538 -15.728 6.188 1.00 10.00 C ATOM 883 CE1 PHE A 61 4.140 -16.920 4.225 1.00 10.00 C ATOM 884 CE2 PHE A 61 2.995 -14.971 5.102 1.00 10.00 C ATOM 885 CZ PHE A 61 3.796 -15.567 4.121 1.00 10.00 C ATOM 0 H PHE A 61 4.607 -16.260 8.566 1.00 10.00 H new ATOM 0 HA PHE A 61 3.269 -18.812 9.245 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.019 -18.863 7.118 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.558 -17.392 7.950 1.00 10.00 H new ATOM 0 HD1 PHE A 61 3.951 -18.720 5.392 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.920 -15.268 6.945 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.757 -17.380 3.467 1.00 10.00 H new ATOM 0 HE2 PHE A 61 2.729 -13.927 5.021 1.00 10.00 H new ATOM 0 HZ PHE A 61 4.149 -14.983 3.284 1.00 10.00 H new ATOM 895 N SER A 62 4.906 -19.965 7.747 1.00 10.00 N ATOM 896 CA SER A 62 6.085 -20.583 7.081 1.00 10.00 C ATOM 897 C SER A 62 5.687 -21.902 6.417 1.00 10.00 C ATOM 898 O SER A 62 5.853 -22.089 5.228 1.00 10.00 O ATOM 899 CB SER A 62 7.089 -20.830 8.210 1.00 10.00 C ATOM 900 OG SER A 62 7.245 -22.227 8.416 1.00 10.00 O ATOM 0 H SER A 62 4.255 -20.623 8.175 1.00 10.00 H new ATOM 0 HA SER A 62 6.499 -19.948 6.298 1.00 10.00 H new ATOM 0 HB2 SER A 62 8.050 -20.380 7.960 1.00 10.00 H new ATOM 0 HB3 SER A 62 6.743 -20.354 9.128 1.00 10.00 H new ATOM 0 HG SER A 62 8.088 -22.396 8.887 1.00 10.00 H new ATOM 906 N CYS A 63 5.180 -22.826 7.186 1.00 10.00 N ATOM 907 CA CYS A 63 4.790 -24.144 6.611 1.00 10.00 C ATOM 908 C CYS A 63 3.434 -24.051 5.882 1.00 10.00 C ATOM 909 O CYS A 63 3.176 -24.776 4.942 1.00 10.00 O ATOM 910 CB CYS A 63 4.755 -25.090 7.824 1.00 10.00 C ATOM 911 SG CYS A 63 3.116 -25.112 8.589 1.00 10.00 S ATOM 0 H CYS A 63 5.019 -22.725 8.188 1.00 10.00 H new ATOM 0 HA CYS A 63 5.484 -24.502 5.850 1.00 10.00 H new ATOM 0 HB2 CYS A 63 5.026 -26.098 7.510 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.497 -24.774 8.557 1.00 10.00 H new ATOM 916 N ARG A 64 2.580 -23.147 6.289 1.00 10.00 N ATOM 917 CA ARG A 64 1.257 -22.987 5.600 1.00 10.00 C ATOM 918 C ARG A 64 0.551 -24.339 5.397 1.00 10.00 C ATOM 919 O ARG A 64 -0.181 -24.527 4.447 1.00 10.00 O ATOM 920 CB ARG A 64 1.595 -22.356 4.249 1.00 10.00 C ATOM 921 CG ARG A 64 1.625 -20.833 4.391 1.00 10.00 C ATOM 922 CD ARG A 64 2.534 -20.238 3.312 1.00 10.00 C ATOM 923 NE ARG A 64 1.633 -19.398 2.473 1.00 10.00 N ATOM 924 CZ ARG A 64 1.392 -19.740 1.236 1.00 10.00 C ATOM 925 NH1 ARG A 64 0.192 -20.115 0.884 1.00 10.00 N ATOM 926 NH2 ARG A 64 2.349 -19.703 0.351 1.00 10.00 N ATOM 0 H ARG A 64 2.739 -22.510 7.070 1.00 10.00 H new ATOM 0 HA ARG A 64 0.573 -22.379 6.191 1.00 10.00 H new ATOM 0 HB2 ARG A 64 2.561 -22.718 3.898 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.855 -22.648 3.504 1.00 10.00 H new ATOM 0 HG2 ARG A 64 0.617 -20.428 4.297 1.00 10.00 H new ATOM 0 HG3 ARG A 64 1.988 -20.556 5.381 1.00 10.00 H new ATOM 0 HD2 ARG A 64 3.333 -19.642 3.753 1.00 10.00 H new ATOM 0 HD3 ARG A 64 3.009 -21.020 2.720 1.00 10.00 H new ATOM 0 HE ARG A 64 1.206 -18.558 2.864 1.00 10.00 H new ATOM 0 HH11 ARG A 64 -0.558 -20.141 1.575 1.00 10.00 H new ATOM 0 HH12 ARG A 64 0.004 -20.382 -0.082 1.00 10.00 H new ATOM 0 HH21 ARG A 64 3.286 -19.407 0.625 1.00 10.00 H new ATOM 0 HH22 ARG A 64 2.161 -19.970 -0.615 1.00 10.00 H new ATOM 940 N ALA A 65 0.760 -25.273 6.279 1.00 10.00 N ATOM 941 CA ALA A 65 0.103 -26.605 6.141 1.00 10.00 C ATOM 942 C ALA A 65 -0.403 -27.104 7.504 1.00 10.00 C ATOM 943 O ALA A 65 -0.937 -28.190 7.613 1.00 10.00 O ATOM 944 CB ALA A 65 1.195 -27.530 5.605 1.00 10.00 C ATOM 0 H ALA A 65 1.362 -25.172 7.096 1.00 10.00 H new ATOM 0 HA ALA A 65 -0.764 -26.566 5.481 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.790 -28.534 5.475 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.550 -27.155 4.645 1.00 10.00 H new ATOM 0 HB3 ALA A 65 2.024 -27.562 6.312 1.00 10.00 H new ATOM 950 N GLY A 66 -0.250 -26.321 8.541 1.00 10.00 N ATOM 951 CA GLY A 66 -0.739 -26.760 9.883 1.00 10.00 C ATOM 952 C GLY A 66 0.241 -27.763 10.507 1.00 10.00 C ATOM 953 O GLY A 66 -0.161 -28.719 11.141 1.00 10.00 O ATOM 0 H GLY A 66 0.190 -25.401 8.517 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.850 -25.895 10.537 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.724 -27.216 9.787 1.00 10.00 H new ATOM 957 N ALA A 67 1.519 -27.560 10.332 1.00 10.00 N ATOM 958 CA ALA A 67 2.510 -28.512 10.917 1.00 10.00 C ATOM 959 C ALA A 67 3.570 -27.773 11.749 1.00 10.00 C ATOM 960 O ALA A 67 4.514 -28.370 12.226 1.00 10.00 O ATOM 961 CB ALA A 67 3.161 -29.190 9.711 1.00 10.00 C ATOM 0 H ALA A 67 1.920 -26.780 9.812 1.00 10.00 H new ATOM 0 HA ALA A 67 2.033 -29.224 11.591 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.905 -29.908 10.055 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.399 -29.708 9.129 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.644 -28.438 9.087 1.00 10.00 H new ATOM 967 N CYS A 68 3.424 -26.489 11.941 1.00 10.00 N ATOM 968 CA CYS A 68 4.433 -25.745 12.757 1.00 10.00 C ATOM 969 C CYS A 68 3.728 -24.726 13.669 1.00 10.00 C ATOM 970 O CYS A 68 2.516 -24.695 13.751 1.00 10.00 O ATOM 971 CB CYS A 68 5.377 -25.083 11.737 1.00 10.00 C ATOM 972 SG CYS A 68 4.803 -23.426 11.284 1.00 10.00 S ATOM 0 H CYS A 68 2.658 -25.925 11.573 1.00 10.00 H new ATOM 0 HA CYS A 68 4.999 -26.393 13.427 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.381 -25.020 12.156 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.443 -25.704 10.844 1.00 10.00 H new ATOM 977 N ALA A 69 4.470 -23.910 14.376 1.00 10.00 N ATOM 978 CA ALA A 69 3.817 -22.925 15.296 1.00 10.00 C ATOM 979 C ALA A 69 4.244 -21.486 14.978 1.00 10.00 C ATOM 980 O ALA A 69 3.973 -20.572 15.731 1.00 10.00 O ATOM 981 CB ALA A 69 4.295 -23.322 16.693 1.00 25.00 C ATOM 0 H ALA A 69 5.489 -23.882 14.358 1.00 10.00 H new ATOM 0 HA ALA A 69 2.732 -22.947 15.199 1.00 10.00 H new ATOM 0 HB1 ALA A 69 3.861 -22.648 17.431 1.00 25.00 H new ATOM 0 HB2 ALA A 69 3.983 -24.344 16.908 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.382 -23.258 16.737 1.00 25.00 H new ATOM 987 N ASN A 70 4.905 -21.273 13.877 1.00 10.00 N ATOM 988 CA ASN A 70 5.341 -19.891 13.525 1.00 10.00 C ATOM 989 C ASN A 70 4.130 -18.955 13.457 1.00 10.00 C ATOM 990 O ASN A 70 4.189 -17.815 13.874 1.00 10.00 O ATOM 991 CB ASN A 70 5.992 -20.021 12.149 1.00 50.00 C ATOM 992 CG ASN A 70 7.490 -20.278 12.317 1.00 50.00 C ATOM 993 OD1 ASN A 70 8.096 -19.810 13.260 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.116 -21.010 11.437 1.00 50.00 N ATOM 0 H ASN A 70 5.163 -21.995 13.204 1.00 10.00 H new ATOM 0 HA ASN A 70 6.025 -19.473 14.264 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.532 -20.838 11.593 1.00 50.00 H new ATOM 0 HB3 ASN A 70 5.831 -19.111 11.571 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.115 -21.190 11.541 1.00 50.00 H new ATOM 0 HD22 ASN A 70 7.607 -21.403 10.645 1.00 50.00 H new ATOM 1001 N CYS A 71 3.030 -19.428 12.937 1.00 10.00 N ATOM 1002 CA CYS A 71 1.815 -18.568 12.844 1.00 10.00 C ATOM 1003 C CYS A 71 0.982 -18.697 14.126 1.00 10.00 C ATOM 1004 O CYS A 71 -0.161 -18.291 14.185 1.00 10.00 O ATOM 1005 CB CYS A 71 1.044 -19.112 11.635 1.00 10.00 C ATOM 1006 SG CYS A 71 0.255 -20.684 12.073 1.00 10.00 S ATOM 0 H CYS A 71 2.920 -20.374 12.572 1.00 10.00 H new ATOM 0 HA CYS A 71 2.055 -17.511 12.730 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.290 -18.391 11.318 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.722 -19.256 10.794 1.00 10.00 H new ATOM 1011 N ALA A 72 1.552 -19.277 15.147 1.00 10.00 N ATOM 1012 CA ALA A 72 0.809 -19.459 16.428 1.00 10.00 C ATOM 1013 C ALA A 72 0.017 -18.201 16.802 1.00 10.00 C ATOM 1014 O ALA A 72 0.326 -17.103 16.383 1.00 10.00 O ATOM 1015 CB ALA A 72 1.892 -19.734 17.471 1.00 10.00 C ATOM 0 H ALA A 72 2.507 -19.635 15.149 1.00 10.00 H new ATOM 0 HA ALA A 72 0.079 -20.266 16.356 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.429 -19.880 18.447 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.445 -20.631 17.194 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.576 -18.887 17.518 1.00 10.00 H new ATOM 1021 N SER A 73 -1.001 -18.368 17.603 1.00 10.00 N ATOM 1022 CA SER A 73 -1.833 -17.210 18.044 1.00 10.00 C ATOM 1023 C SER A 73 -2.227 -17.411 19.507 1.00 10.00 C ATOM 1024 O SER A 73 -1.668 -18.238 20.193 1.00 10.00 O ATOM 1025 CB SER A 73 -3.069 -17.245 17.143 1.00 50.00 C ATOM 1026 OG SER A 73 -3.061 -16.115 16.283 1.00 50.00 O ATOM 0 H SER A 73 -1.296 -19.271 17.976 1.00 10.00 H new ATOM 0 HA SER A 73 -1.312 -16.256 17.969 1.00 10.00 H new ATOM 0 HB2 SER A 73 -3.077 -18.163 16.555 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.974 -17.247 17.750 1.00 50.00 H new ATOM 0 HG SER A 73 -3.171 -15.299 16.814 1.00 50.00 H new ATOM 1032 N ILE A 74 -3.184 -16.672 19.993 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.607 -16.847 21.415 1.00 10.00 C ATOM 1034 C ILE A 74 -5.105 -16.568 21.557 1.00 10.00 C ATOM 1035 O ILE A 74 -5.509 -15.587 22.148 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.801 -15.824 22.219 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -1.302 -16.096 22.055 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.176 -15.930 23.698 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.958 -17.459 22.660 1.00 10.00 C ATOM 0 H ILE A 74 -3.691 -15.957 19.472 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.429 -17.864 21.766 1.00 10.00 H new ATOM 0 HB ILE A 74 -3.027 -14.823 21.853 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -1.032 -16.077 20.999 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.724 -15.313 22.546 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.603 -15.202 24.272 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -4.241 -15.730 23.819 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.952 -16.934 24.059 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.109 -17.651 22.542 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.212 -17.461 23.720 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.525 -18.237 22.149 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.932 -17.424 21.023 1.00 10.00 N ATOM 1052 CA VAL A 75 -7.404 -17.201 21.139 1.00 10.00 C ATOM 1053 C VAL A 75 -7.760 -16.822 22.580 1.00 10.00 C ATOM 1054 O VAL A 75 -7.677 -17.632 23.481 1.00 10.00 O ATOM 1055 CB VAL A 75 -8.042 -18.536 20.749 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -7.556 -19.633 21.696 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -9.564 -18.418 20.839 1.00 50.00 C ATOM 0 H VAL A 75 -5.656 -18.264 20.514 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.756 -16.390 20.502 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.757 -18.790 19.728 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -8.012 -20.583 21.417 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -6.471 -19.717 21.629 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.838 -19.382 22.719 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -10.020 -19.368 20.561 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.849 -18.163 21.860 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.909 -17.638 20.160 1.00 50.00 H new ATOM 1067 N LYS A 76 -8.145 -15.594 22.810 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.491 -15.171 24.199 1.00 10.00 C ATOM 1069 C LYS A 76 -9.926 -15.575 24.550 1.00 10.00 C ATOM 1070 O LYS A 76 -10.298 -15.622 25.706 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.349 -13.649 24.197 1.00 25.00 C ATOM 1072 CG LYS A 76 -7.699 -13.198 25.505 1.00 25.00 C ATOM 1073 CD LYS A 76 -8.740 -12.492 26.376 1.00 50.00 C ATOM 1074 CE LYS A 76 -9.415 -13.514 27.292 1.00 50.00 C ATOM 1075 NZ LYS A 76 -9.079 -13.068 28.674 1.00 50.00 N ATOM 0 H LYS A 76 -8.235 -14.868 22.099 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.846 -15.644 24.940 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -7.744 -13.330 23.348 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -9.327 -13.182 24.084 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -7.289 -14.058 26.035 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -6.867 -12.525 25.297 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -8.264 -11.713 26.971 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -9.484 -12.003 25.748 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -10.493 -13.535 27.134 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -9.045 -14.521 27.101 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -9.343 -13.811 29.352 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -8.057 -12.885 28.741 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -9.602 -12.196 28.894 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.737 -15.862 23.570 1.00 10.00 N ATOM 1090 CA GLU A 77 -12.145 -16.256 23.871 1.00 10.00 C ATOM 1091 C GLU A 77 -12.809 -16.873 22.636 1.00 10.00 C ATOM 1092 O GLU A 77 -12.350 -16.705 21.523 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.847 -14.954 24.259 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.911 -15.242 25.319 1.00 10.00 C ATOM 1095 CD GLU A 77 -15.252 -14.660 24.870 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -15.722 -15.053 23.815 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -15.785 -13.830 25.587 1.00 25.00 O ATOM 0 H GLU A 77 -10.490 -15.842 22.581 1.00 10.00 H new ATOM 0 HA GLU A 77 -12.198 -17.004 24.662 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -12.121 -14.238 24.643 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.307 -14.501 23.381 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -14.003 -16.317 25.474 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -13.615 -14.807 26.274 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.887 -17.583 22.829 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.586 -18.210 21.672 1.00 10.00 C ATOM 1106 C GLY A 78 -13.955 -19.571 21.373 1.00 10.00 C ATOM 1107 O GLY A 78 -13.138 -20.066 22.124 1.00 10.00 O ATOM 0 H GLY A 78 -14.314 -17.756 23.739 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.646 -18.330 21.895 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.515 -17.564 20.797 1.00 10.00 H new ATOM 1111 N GLU A 79 -14.329 -20.181 20.282 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.751 -21.512 19.936 1.00 10.00 C ATOM 1113 C GLU A 79 -13.308 -21.526 18.469 1.00 10.00 C ATOM 1114 O GLU A 79 -13.913 -20.898 17.623 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.890 -22.510 20.171 1.00 25.00 C ATOM 1116 CG GLU A 79 -14.602 -23.811 19.418 1.00 25.00 C ATOM 1117 CD GLU A 79 -15.501 -24.923 19.962 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -15.182 -25.457 21.011 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -16.494 -25.224 19.319 1.00 50.00 O ATOM 0 H GLU A 79 -15.009 -19.816 19.615 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.872 -21.754 20.533 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.995 -22.712 21.237 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.835 -22.084 19.832 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -14.780 -23.674 18.351 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.554 -24.087 19.534 1.00 25.00 H new ATOM 1126 N ILE A 80 -12.257 -22.235 18.165 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.774 -22.289 16.756 1.00 10.00 C ATOM 1128 C ILE A 80 -11.388 -23.723 16.385 1.00 10.00 C ATOM 1129 O ILE A 80 -10.764 -24.426 17.155 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.549 -21.375 16.725 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.872 -20.066 17.450 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -10.171 -21.074 15.274 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -9.634 -19.168 17.466 1.00 50.00 C ATOM 0 H ILE A 80 -11.711 -22.780 18.832 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.536 -21.973 16.043 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.714 -21.870 17.221 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -11.697 -19.557 16.951 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -11.196 -20.274 18.470 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -9.298 -20.422 15.253 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.941 -22.006 14.757 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -11.005 -20.579 14.776 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -9.867 -18.237 17.983 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.822 -19.677 17.984 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -9.330 -18.949 16.442 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.759 -24.165 15.214 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.417 -25.557 14.799 1.00 10.00 C ATOM 1147 C ASP A 81 -10.311 -25.540 13.740 1.00 10.00 C ATOM 1148 O ASP A 81 -10.164 -24.592 12.995 1.00 10.00 O ATOM 1149 CB ASP A 81 -12.709 -26.126 14.215 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.150 -27.338 15.038 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -12.733 -27.436 16.180 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -13.898 -28.146 14.512 1.00 10.00 O ATOM 0 H ASP A 81 -12.284 -23.624 14.527 1.00 10.00 H new ATOM 0 HA ASP A 81 -11.048 -26.155 15.632 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.490 -25.365 14.221 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.554 -26.415 13.176 1.00 10.00 H new ATOM 1157 N MET A 82 -9.531 -26.584 13.669 1.00 12.50 N ATOM 1158 CA MET A 82 -8.434 -26.630 12.659 1.00 12.50 C ATOM 1159 C MET A 82 -8.399 -28.001 11.975 1.00 12.50 C ATOM 1160 O MET A 82 -9.217 -28.859 12.242 1.00 12.50 O ATOM 1161 CB MET A 82 -7.151 -26.398 13.458 1.00 12.50 C ATOM 1162 CG MET A 82 -7.049 -27.440 14.573 1.00 12.50 C ATOM 1163 SD MET A 82 -5.309 -27.842 14.865 1.00 12.50 S ATOM 1164 CE MET A 82 -5.378 -27.839 16.674 1.00 50.00 C ATOM 0 H MET A 82 -9.605 -27.407 14.266 1.00 12.50 H new ATOM 0 HA MET A 82 -8.566 -25.887 11.873 1.00 12.50 H new ATOM 0 HB2 MET A 82 -6.284 -26.466 12.801 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.151 -25.394 13.883 1.00 12.50 H new ATOM 0 HG2 MET A 82 -7.503 -27.056 15.487 1.00 12.50 H new ATOM 0 HG3 MET A 82 -7.600 -28.339 14.297 1.00 12.50 H new ATOM 0 HE1 MET A 82 -4.400 -27.571 17.075 1.00 50.00 H new ATOM 0 HE2 MET A 82 -6.119 -27.113 17.009 1.00 50.00 H new ATOM 0 HE3 MET A 82 -5.657 -28.831 17.029 1.00 50.00 H new ATOM 1174 N ASP A 83 -7.459 -28.212 11.095 1.00 50.00 N ATOM 1175 CA ASP A 83 -7.371 -29.527 10.395 1.00 50.00 C ATOM 1176 C ASP A 83 -7.111 -30.647 11.406 1.00 50.00 C ATOM 1177 O ASP A 83 -6.633 -30.412 12.498 1.00 50.00 O ATOM 1178 CB ASP A 83 -6.188 -29.387 9.437 1.00 50.00 C ATOM 1179 CG ASP A 83 -6.492 -30.133 8.135 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -7.634 -30.096 7.706 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -5.578 -30.729 7.590 1.00 50.00 O ATOM 0 H ASP A 83 -6.747 -27.531 10.830 1.00 50.00 H new ATOM 0 HA ASP A 83 -8.293 -29.778 9.871 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -5.998 -28.334 9.229 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -5.285 -29.789 9.896 1.00 50.00 H new ATOM 1186 N MET A 84 -7.422 -31.864 11.051 1.00 50.00 N ATOM 1187 CA MET A 84 -7.191 -32.997 11.995 1.00 50.00 C ATOM 1188 C MET A 84 -5.692 -33.192 12.236 1.00 50.00 C ATOM 1189 O MET A 84 -5.104 -34.159 11.795 1.00 50.00 O ATOM 1190 CB MET A 84 -7.786 -34.221 11.298 1.00 50.00 C ATOM 1191 CG MET A 84 -9.275 -33.986 11.036 1.00 50.00 C ATOM 1192 SD MET A 84 -9.679 -34.488 9.345 1.00 50.00 S ATOM 1193 CE MET A 84 -11.080 -35.557 9.754 1.00 50.00 C ATOM 0 H MET A 84 -7.825 -32.123 10.151 1.00 50.00 H new ATOM 0 HA MET A 84 -7.647 -32.820 12.969 1.00 50.00 H new ATOM 0 HB2 MET A 84 -7.265 -34.406 10.358 1.00 50.00 H new ATOM 0 HB3 MET A 84 -7.650 -35.107 11.918 1.00 50.00 H new ATOM 0 HG2 MET A 84 -9.874 -34.554 11.748 1.00 50.00 H new ATOM 0 HG3 MET A 84 -9.519 -32.934 11.182 1.00 50.00 H new ATOM 0 HE1 MET A 84 -11.492 -35.982 8.839 1.00 50.00 H new ATOM 0 HE2 MET A 84 -10.745 -36.361 10.409 1.00 50.00 H new ATOM 0 HE3 MET A 84 -11.848 -34.972 10.260 1.00 50.00 H new ATOM 1203 N GLN A 85 -5.071 -32.282 12.935 1.00 16.66 N ATOM 1204 CA GLN A 85 -3.610 -32.416 13.206 1.00 16.66 C ATOM 1205 C GLN A 85 -3.122 -31.244 14.062 1.00 16.66 C ATOM 1206 O GLN A 85 -3.462 -30.103 13.821 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.946 -32.387 11.831 1.00 16.66 C ATOM 1208 CG GLN A 85 -3.526 -31.233 11.010 1.00 16.66 C ATOM 1209 CD GLN A 85 -2.589 -30.914 9.843 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -2.471 -29.775 9.438 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -1.913 -31.879 9.281 1.00 16.66 N ATOM 0 H GLN A 85 -5.511 -31.451 13.331 1.00 16.66 H new ATOM 0 HA GLN A 85 -3.374 -33.329 13.752 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -1.868 -32.266 11.938 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -3.111 -33.333 11.316 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -4.514 -31.501 10.634 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -3.652 -30.352 11.640 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -2.012 -32.836 9.621 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -1.286 -31.676 8.502 1.00 16.66 H new ATOM 1220 N GLN A 86 -2.327 -31.517 15.060 1.00 16.66 N ATOM 1221 CA GLN A 86 -1.818 -30.417 15.929 1.00 16.66 C ATOM 1222 C GLN A 86 -0.343 -30.644 16.266 1.00 16.66 C ATOM 1223 O GLN A 86 0.039 -31.689 16.756 1.00 16.66 O ATOM 1224 CB GLN A 86 -2.674 -30.485 17.195 1.00 16.66 C ATOM 1225 CG GLN A 86 -2.397 -29.253 18.061 1.00 16.66 C ATOM 1226 CD GLN A 86 -3.348 -29.248 19.261 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -4.533 -29.018 19.110 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -2.876 -29.491 20.453 1.00 50.00 N ATOM 0 H GLN A 86 -2.008 -32.453 15.311 1.00 16.66 H new ATOM 0 HA GLN A 86 -1.884 -29.444 15.442 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -3.731 -30.528 16.931 1.00 16.66 H new ATOM 0 HB3 GLN A 86 -2.447 -31.394 17.752 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -1.362 -29.261 18.404 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -2.531 -28.345 17.473 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -1.882 -29.684 20.579 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -3.501 -29.488 21.259 1.00 50.00 H new ATOM 1237 N ILE A 87 0.490 -29.674 16.006 1.00 12.50 N ATOM 1238 CA ILE A 87 1.940 -29.834 16.312 1.00 12.50 C ATOM 1239 C ILE A 87 2.223 -29.424 17.761 1.00 12.50 C ATOM 1240 O ILE A 87 3.132 -29.926 18.392 1.00 12.50 O ATOM 1241 CB ILE A 87 2.653 -28.894 15.338 1.00 50.00 C ATOM 1242 CG1 ILE A 87 4.157 -28.911 15.619 1.00 50.00 C ATOM 1243 CG2 ILE A 87 2.115 -27.473 15.511 1.00 50.00 C ATOM 1244 CD1 ILE A 87 4.683 -30.342 15.499 1.00 50.00 C ATOM 0 H ILE A 87 0.229 -28.778 15.595 1.00 12.50 H new ATOM 0 HA ILE A 87 2.276 -30.865 16.204 1.00 12.50 H new ATOM 0 HB ILE A 87 2.472 -29.227 14.316 1.00 50.00 H new ATOM 0 HG12 ILE A 87 4.677 -28.261 14.915 1.00 50.00 H new ATOM 0 HG13 ILE A 87 4.355 -28.522 16.618 1.00 50.00 H new ATOM 0 HG21 ILE A 87 2.624 -26.804 14.817 1.00 50.00 H new ATOM 0 HG22 ILE A 87 1.044 -27.462 15.307 1.00 50.00 H new ATOM 0 HG23 ILE A 87 2.293 -27.138 16.533 1.00 50.00 H new ATOM 0 HD11 ILE A 87 5.754 -30.354 15.699 1.00 50.00 H new ATOM 0 HD12 ILE A 87 4.172 -30.979 16.221 1.00 50.00 H new ATOM 0 HD13 ILE A 87 4.498 -30.714 14.491 1.00 50.00 H new ATOM 1256 N LEU A 88 1.448 -28.519 18.293 1.00 12.50 N ATOM 1257 CA LEU A 88 1.669 -28.079 19.701 1.00 12.50 C ATOM 1258 C LEU A 88 1.007 -29.059 20.673 1.00 12.50 C ATOM 1259 O LEU A 88 0.487 -30.083 20.278 1.00 12.50 O ATOM 1260 CB LEU A 88 1.005 -26.705 19.796 1.00 12.50 C ATOM 1261 CG LEU A 88 2.054 -25.612 19.583 1.00 12.50 C ATOM 1262 CD1 LEU A 88 1.447 -24.479 18.753 1.00 12.50 C ATOM 1263 CD2 LEU A 88 2.503 -25.066 20.941 1.00 12.50 C ATOM 0 H LEU A 88 0.671 -28.065 17.814 1.00 12.50 H new ATOM 0 HA LEU A 88 2.727 -28.041 19.958 1.00 12.50 H new ATOM 0 HB2 LEU A 88 0.217 -26.618 19.047 1.00 12.50 H new ATOM 0 HB3 LEU A 88 0.533 -26.585 20.771 1.00 12.50 H new ATOM 0 HG LEU A 88 2.913 -26.028 19.057 1.00 12.50 H new ATOM 0 HD11 LEU A 88 2.193 -23.699 18.601 1.00 12.50 H new ATOM 0 HD12 LEU A 88 1.126 -24.868 17.787 1.00 12.50 H new ATOM 0 HD13 LEU A 88 0.589 -24.062 19.280 1.00 12.50 H new ATOM 0 HD21 LEU A 88 3.251 -24.287 20.791 1.00 12.50 H new ATOM 0 HD22 LEU A 88 1.645 -24.649 21.467 1.00 12.50 H new ATOM 0 HD23 LEU A 88 2.934 -25.873 21.533 1.00 12.50 H new ATOM 1275 N SER A 89 1.020 -28.751 21.942 1.00 12.50 N ATOM 1276 CA SER A 89 0.388 -29.664 22.937 1.00 12.50 C ATOM 1277 C SER A 89 -0.989 -29.132 23.339 1.00 12.50 C ATOM 1278 O SER A 89 -1.280 -27.962 23.192 1.00 12.50 O ATOM 1279 CB SER A 89 1.336 -29.661 24.138 1.00 12.50 C ATOM 1280 OG SER A 89 1.335 -28.375 24.738 1.00 12.50 O ATOM 0 H SER A 89 1.440 -27.908 22.332 1.00 12.50 H new ATOM 0 HA SER A 89 0.238 -30.668 22.540 1.00 12.50 H new ATOM 0 HB2 SER A 89 1.024 -30.413 24.863 1.00 12.50 H new ATOM 0 HB3 SER A 89 2.345 -29.925 23.820 1.00 12.50 H new ATOM 0 HG SER A 89 1.941 -28.373 25.508 1.00 12.50 H new ATOM 1286 N ASP A 90 -1.842 -29.983 23.844 1.00 10.00 N ATOM 1287 CA ASP A 90 -3.200 -29.522 24.252 1.00 10.00 C ATOM 1288 C ASP A 90 -3.094 -28.459 25.347 1.00 10.00 C ATOM 1289 O ASP A 90 -3.860 -27.516 25.389 1.00 10.00 O ATOM 1290 CB ASP A 90 -3.900 -30.772 24.785 1.00 10.00 C ATOM 1291 CG ASP A 90 -5.386 -30.474 24.996 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -5.761 -29.320 24.875 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -6.123 -31.405 25.274 1.00 10.00 O ATOM 0 H ASP A 90 -1.657 -30.975 23.991 1.00 10.00 H new ATOM 0 HA ASP A 90 -3.746 -29.070 23.424 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -3.780 -31.597 24.082 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -3.444 -31.085 25.724 1.00 10.00 H new ATOM 1298 N GLU A 91 -2.148 -28.602 26.232 1.00 12.50 N ATOM 1299 CA GLU A 91 -1.990 -27.599 27.325 1.00 12.50 C ATOM 1300 C GLU A 91 -1.759 -26.209 26.732 1.00 12.50 C ATOM 1301 O GLU A 91 -2.154 -25.208 27.298 1.00 12.50 O ATOM 1302 CB GLU A 91 -0.762 -28.060 28.110 1.00 12.50 C ATOM 1303 CG GLU A 91 -1.116 -28.159 29.596 1.00 12.50 C ATOM 1304 CD GLU A 91 -0.880 -26.804 30.266 1.00 50.00 C ATOM 1305 OE1 GLU A 91 0.261 -26.376 30.307 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -1.846 -26.219 30.727 1.00 50.00 O ATOM 0 H GLU A 91 -1.477 -29.370 26.247 1.00 12.50 H new ATOM 0 HA GLU A 91 -2.875 -27.532 27.958 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -0.423 -29.028 27.740 1.00 12.50 H new ATOM 0 HB3 GLU A 91 0.060 -27.358 27.967 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -2.157 -28.459 29.714 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -0.507 -28.925 30.076 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.124 -26.138 25.594 1.00 10.00 N ATOM 1314 CA GLU A 92 -0.874 -24.810 24.966 1.00 10.00 C ATOM 1315 C GLU A 92 -2.182 -24.239 24.415 1.00 10.00 C ATOM 1316 O GLU A 92 -2.404 -23.044 24.430 1.00 10.00 O ATOM 1317 CB GLU A 92 0.113 -25.086 23.832 1.00 50.00 C ATOM 1318 CG GLU A 92 1.543 -24.972 24.364 1.00 50.00 C ATOM 1319 CD GLU A 92 2.292 -23.888 23.588 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.698 -22.855 23.329 1.00 50.00 O ATOM 1321 OE2 GLU A 92 3.448 -24.109 23.265 1.00 50.00 O ATOM 0 H GLU A 92 -0.768 -26.940 25.073 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.481 -24.082 25.676 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.056 -26.082 23.422 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -0.042 -24.376 23.019 1.00 50.00 H new ATOM 0 HG2 GLU A 92 1.529 -24.729 25.426 1.00 50.00 H new ATOM 0 HG3 GLU A 92 2.057 -25.928 24.262 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.051 -25.084 23.932 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.347 -24.592 23.385 1.00 10.00 C ATOM 1330 C VAL A 93 -5.260 -24.142 24.528 1.00 10.00 C ATOM 1331 O VAL A 93 -6.063 -23.242 24.380 1.00 10.00 O ATOM 1332 CB VAL A 93 -4.952 -25.791 22.655 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -6.377 -25.453 22.212 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -4.101 -26.122 21.427 1.00 10.00 C ATOM 0 H VAL A 93 -2.919 -26.095 23.893 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.219 -23.737 22.722 1.00 10.00 H new ATOM 0 HB VAL A 93 -4.974 -26.651 23.325 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -6.809 -26.308 21.691 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -6.983 -25.217 23.086 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.356 -24.593 21.542 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -4.532 -26.977 20.906 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -4.079 -25.262 20.757 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -3.086 -26.363 21.742 1.00 10.00 H new ATOM 1344 N GLU A 94 -5.140 -24.762 25.670 1.00 12.50 N ATOM 1345 CA GLU A 94 -5.998 -24.372 26.825 1.00 12.50 C ATOM 1346 C GLU A 94 -5.251 -23.384 27.726 1.00 12.50 C ATOM 1347 O GLU A 94 -5.844 -22.519 28.340 1.00 12.50 O ATOM 1348 CB GLU A 94 -6.274 -25.677 27.571 1.00 12.50 C ATOM 1349 CG GLU A 94 -7.784 -25.914 27.641 1.00 12.50 C ATOM 1350 CD GLU A 94 -8.101 -26.839 28.818 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -8.138 -26.351 29.936 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -8.301 -28.019 28.582 1.00 12.50 O ATOM 0 H GLU A 94 -4.485 -25.522 25.853 1.00 12.50 H new ATOM 0 HA GLU A 94 -6.919 -23.881 26.510 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -5.788 -26.509 27.062 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -5.855 -25.629 28.576 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -8.307 -24.965 27.759 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -8.137 -26.358 26.710 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.954 -23.505 27.807 1.00 12.50 N ATOM 1360 CA GLU A 95 -3.170 -22.571 28.667 1.00 12.50 C ATOM 1361 C GLU A 95 -2.729 -21.351 27.855 1.00 12.50 C ATOM 1362 O GLU A 95 -3.049 -20.225 28.182 1.00 12.50 O ATOM 1363 CB GLU A 95 -1.956 -23.380 29.124 1.00 25.00 C ATOM 1364 CG GLU A 95 -1.379 -22.759 30.398 1.00 25.00 C ATOM 1365 CD GLU A 95 -2.258 -23.138 31.591 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.931 -24.151 31.508 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -2.242 -22.408 32.568 1.00 50.00 O ATOM 0 H GLU A 95 -3.403 -24.209 27.316 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.751 -22.197 29.510 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -2.244 -24.415 29.309 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.200 -23.395 28.339 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -0.359 -23.110 30.557 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -1.331 -21.675 30.298 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.992 -21.566 26.799 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.528 -20.420 25.965 1.00 25.00 C ATOM 1376 C LYS A 96 -2.598 -20.046 24.936 1.00 25.00 C ATOM 1377 O LYS A 96 -2.503 -19.037 24.266 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.269 -20.930 25.265 1.00 25.00 C ATOM 1379 CG LYS A 96 0.698 -21.493 26.306 1.00 25.00 C ATOM 1380 CD LYS A 96 1.166 -20.366 27.229 1.00 25.00 C ATOM 1381 CE LYS A 96 2.405 -20.820 28.001 1.00 25.00 C ATOM 1382 NZ LYS A 96 1.924 -21.044 29.392 1.00 25.00 N ATOM 0 H LYS A 96 -1.691 -22.486 26.478 1.00 25.00 H new ATOM 0 HA LYS A 96 -1.334 -19.527 26.559 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.530 -21.701 24.540 1.00 25.00 H new ATOM 0 HB3 LYS A 96 0.206 -20.120 24.712 1.00 25.00 H new ATOM 0 HG2 LYS A 96 0.209 -22.274 26.888 1.00 25.00 H new ATOM 0 HG3 LYS A 96 1.554 -21.952 25.812 1.00 25.00 H new ATOM 0 HD2 LYS A 96 1.395 -19.475 26.645 1.00 25.00 H new ATOM 0 HD3 LYS A 96 0.370 -20.096 27.924 1.00 25.00 H new ATOM 0 HE2 LYS A 96 2.824 -21.732 27.576 1.00 25.00 H new ATOM 0 HE3 LYS A 96 3.189 -20.064 27.970 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 2.717 -21.358 29.987 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 1.536 -20.157 29.772 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 1.182 -21.773 29.390 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.615 -20.853 24.805 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.691 -20.545 23.817 1.00 10.00 C ATOM 1398 C ASP A 97 -4.092 -20.427 22.417 1.00 10.00 C ATOM 1399 O ASP A 97 -4.568 -19.675 21.590 1.00 10.00 O ATOM 1400 CB ASP A 97 -5.287 -19.196 24.244 1.00 50.00 C ATOM 1401 CG ASP A 97 -5.211 -19.034 25.766 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -5.773 -19.866 26.460 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -4.593 -18.081 26.211 1.00 50.00 O ATOM 0 H ASP A 97 -3.749 -21.712 25.338 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.448 -21.328 23.793 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -4.747 -18.383 23.758 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -6.325 -19.130 23.917 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.045 -21.154 22.144 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.420 -21.065 20.797 1.00 10.00 C ATOM 1410 C VAL A 98 -3.018 -22.109 19.853 1.00 10.00 C ATOM 1411 O VAL A 98 -3.667 -23.046 20.274 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.932 -21.339 21.027 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.205 -21.379 19.681 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.335 -20.232 21.897 1.00 50.00 C ATOM 0 H VAL A 98 -2.598 -21.802 22.792 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.590 -20.093 20.334 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.815 -22.298 21.531 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.855 -21.574 19.845 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -0.628 -22.171 19.062 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -0.323 -20.421 19.175 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.725 -20.429 22.060 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.453 -19.272 21.395 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -0.851 -20.206 22.857 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.803 -21.949 18.577 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.353 -22.924 17.594 1.00 10.00 C ATOM 1426 C ARG A 99 -2.760 -22.656 16.208 1.00 10.00 C ATOM 1427 O ARG A 99 -1.661 -22.151 16.082 1.00 10.00 O ATOM 1428 CB ARG A 99 -4.863 -22.675 17.598 1.00 50.00 C ATOM 1429 CG ARG A 99 -5.138 -21.204 17.281 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.423 -21.089 16.458 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.441 -21.856 17.228 1.00 50.00 N ATOM 1432 CZ ARG A 99 -7.663 -23.112 16.948 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -7.654 -23.517 15.707 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -7.892 -23.964 17.909 1.00 50.00 N ATOM 0 H ARG A 99 -2.268 -21.182 18.171 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.113 -23.957 17.847 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.350 -23.314 16.861 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.282 -22.933 18.570 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -5.234 -20.634 18.205 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -4.301 -20.778 16.729 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -6.722 -20.048 16.336 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -6.290 -21.502 15.458 1.00 50.00 H new ATOM 0 HE ARG A 99 -7.965 -21.400 17.975 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -7.473 -22.852 14.955 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -7.828 -24.498 15.490 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -7.898 -23.649 18.879 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -8.065 -24.945 17.690 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.471 -22.991 15.169 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.940 -22.754 13.797 1.00 10.00 C ATOM 1450 C LEU A 100 -3.766 -21.673 13.093 1.00 10.00 C ATOM 1451 O LEU A 100 -4.923 -21.870 12.779 1.00 10.00 O ATOM 1452 CB LEU A 100 -3.084 -24.098 13.080 1.00 10.00 C ATOM 1453 CG LEU A 100 -2.584 -25.221 13.994 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -2.977 -26.573 13.398 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -1.060 -25.141 14.117 1.00 10.00 C ATOM 0 H LEU A 100 -4.396 -23.418 15.209 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.907 -22.408 13.805 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.127 -24.270 12.812 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -2.514 -24.090 12.151 1.00 10.00 H new ATOM 0 HG LEU A 100 -3.033 -25.113 14.981 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -2.622 -27.374 14.047 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -4.062 -26.631 13.311 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -2.527 -26.680 12.411 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -0.705 -25.940 14.767 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -0.609 -25.249 13.130 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.779 -24.177 14.541 1.00 10.00 H new ATOM 1467 N THR A 101 -3.181 -20.532 12.850 1.00 10.00 N ATOM 1468 CA THR A 101 -3.934 -19.437 12.172 1.00 10.00 C ATOM 1469 C THR A 101 -3.934 -19.643 10.655 1.00 10.00 C ATOM 1470 O THR A 101 -4.818 -19.188 9.958 1.00 10.00 O ATOM 1471 CB THR A 101 -3.181 -18.157 12.538 1.00 10.00 C ATOM 1472 OG1 THR A 101 -1.813 -18.295 12.178 1.00 10.00 O ATOM 1473 CG2 THR A 101 -3.291 -17.909 14.043 1.00 10.00 C ATOM 0 H THR A 101 -2.215 -20.310 13.091 1.00 10.00 H new ATOM 0 HA THR A 101 -4.978 -19.404 12.483 1.00 10.00 H new ATOM 0 HB THR A 101 -3.616 -17.314 12.001 1.00 10.00 H new ATOM 0 HG1 THR A 101 -1.248 -18.032 12.934 1.00 10.00 H new ATOM 0 HG21 THR A 101 -2.754 -16.997 14.302 1.00 10.00 H new ATOM 0 HG22 THR A 101 -4.340 -17.803 14.319 1.00 10.00 H new ATOM 0 HG23 THR A 101 -2.857 -18.751 14.583 1.00 10.00 H new ATOM 1481 N CYS A 102 -2.947 -20.323 10.137 1.00 10.00 N ATOM 1482 CA CYS A 102 -2.895 -20.550 8.664 1.00 10.00 C ATOM 1483 C CYS A 102 -3.883 -21.645 8.256 1.00 10.00 C ATOM 1484 O CYS A 102 -4.456 -21.607 7.185 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.460 -20.989 8.380 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.102 -22.513 9.288 1.00 10.00 S ATOM 0 H CYS A 102 -2.177 -20.730 10.668 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.167 -19.657 8.102 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.323 -21.150 7.311 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.763 -20.205 8.676 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.085 -22.624 9.095 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.037 -23.718 8.744 1.00 10.00 C ATOM 1493 C ILE A 103 -6.095 -23.878 9.840 1.00 10.00 C ATOM 1494 O ILE A 103 -6.561 -24.966 10.111 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.173 -24.978 8.636 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.680 -25.389 10.026 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -2.970 -24.694 7.735 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -4.018 -26.861 10.272 1.00 50.00 C ATOM 0 H ILE A 103 -3.634 -22.714 10.005 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.575 -23.514 7.818 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.768 -25.786 8.211 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.604 -25.234 10.102 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -4.147 -24.765 10.788 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.354 -25.590 7.657 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.318 -24.406 6.743 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.379 -23.884 8.162 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.667 -27.154 11.261 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -5.097 -27.001 10.213 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.530 -27.477 9.517 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.477 -22.801 10.471 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.505 -22.895 11.547 1.00 10.00 C ATOM 1512 C GLY A 104 -8.700 -22.007 11.191 1.00 10.00 C ATOM 1513 O GLY A 104 -8.554 -20.968 10.579 1.00 10.00 O ATOM 0 H GLY A 104 -6.123 -21.862 10.289 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -7.829 -23.929 11.665 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.078 -22.584 12.500 1.00 10.00 H new ATOM 1517 N SER A 105 -9.883 -22.408 11.574 1.00 10.00 N ATOM 1518 CA SER A 105 -11.086 -21.585 11.258 1.00 10.00 C ATOM 1519 C SER A 105 -11.945 -21.405 12.513 1.00 10.00 C ATOM 1520 O SER A 105 -12.008 -22.280 13.354 1.00 10.00 O ATOM 1521 CB SER A 105 -11.844 -22.383 10.198 1.00 10.00 C ATOM 1522 OG SER A 105 -13.236 -22.332 10.473 1.00 10.00 O ATOM 0 H SER A 105 -10.068 -23.268 12.091 1.00 10.00 H new ATOM 0 HA SER A 105 -10.825 -20.587 10.906 1.00 10.00 H new ATOM 0 HB2 SER A 105 -11.643 -21.975 9.207 1.00 10.00 H new ATOM 0 HB3 SER A 105 -11.501 -23.418 10.192 1.00 10.00 H new ATOM 0 HG SER A 105 -13.687 -23.071 10.015 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.577 -20.267 12.596 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.442 -19.956 13.760 1.00 10.00 C ATOM 1530 C PRO A 106 -14.741 -20.765 13.696 1.00 10.00 C ATOM 1531 O PRO A 106 -15.241 -21.072 12.633 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.725 -18.465 13.608 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.559 -18.187 12.148 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.543 -19.169 11.622 1.00 10.00 C ATOM 0 HA PRO A 106 -12.978 -20.203 14.715 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.732 -18.218 13.945 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -13.034 -17.869 14.204 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.509 -18.298 11.624 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.224 -17.162 11.987 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.802 -19.514 10.621 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.551 -18.722 11.558 1.00 10.00 H new ATOM 1542 N ALA A 107 -15.289 -21.111 14.829 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.555 -21.901 14.836 1.00 10.00 C ATOM 1544 C ALA A 107 -17.618 -21.200 15.691 1.00 10.00 C ATOM 1545 O ALA A 107 -18.791 -21.510 15.613 1.00 10.00 O ATOM 1546 CB ALA A 107 -16.175 -23.248 15.449 1.00 50.00 C ATOM 0 H ALA A 107 -14.916 -20.881 15.750 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.978 -22.011 13.837 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -17.055 -23.890 15.490 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -15.408 -23.723 14.837 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.791 -23.094 16.457 1.00 50.00 H new ATOM 1552 N ALA A 108 -17.221 -20.261 16.506 1.00 10.00 N ATOM 1553 CA ALA A 108 -18.213 -19.547 17.361 1.00 10.00 C ATOM 1554 C ALA A 108 -18.520 -18.167 16.774 1.00 10.00 C ATOM 1555 O ALA A 108 -17.773 -17.644 15.971 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.537 -19.414 18.726 1.00 50.00 C ATOM 0 H ALA A 108 -16.254 -19.957 16.617 1.00 10.00 H new ATOM 0 HA ALA A 108 -19.161 -20.080 17.428 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -18.206 -18.897 19.414 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -17.309 -20.405 19.117 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.614 -18.844 18.621 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.613 -17.571 17.167 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.963 -16.225 16.628 1.00 50.00 C ATOM 1564 C ASP A 109 -18.874 -15.212 16.996 1.00 50.00 C ATOM 1565 O ASP A 109 -18.034 -14.869 16.188 1.00 50.00 O ATOM 1566 CB ASP A 109 -21.287 -15.858 17.298 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.714 -14.460 16.846 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -21.225 -13.499 17.416 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -22.523 -14.375 15.936 1.00 50.00 O ATOM 0 H ASP A 109 -20.278 -17.957 17.837 1.00 50.00 H new ATOM 0 HA ASP A 109 -20.046 -16.224 15.541 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -22.054 -16.587 17.037 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -21.178 -15.884 18.382 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.881 -14.733 18.210 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.843 -13.745 18.628 1.00 10.00 C ATOM 1576 C GLU A 110 -16.645 -14.475 19.244 1.00 10.00 C ATOM 1577 O GLU A 110 -16.783 -15.219 20.195 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.530 -12.864 19.671 1.00 10.00 C ATOM 1579 CG GLU A 110 -18.730 -11.458 19.099 1.00 10.00 C ATOM 1580 CD GLU A 110 -19.764 -10.708 19.940 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -20.784 -11.299 20.256 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -19.519 -9.555 20.254 1.00 50.00 O ATOM 0 H GLU A 110 -19.559 -14.982 18.930 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.465 -13.160 17.790 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -19.492 -13.295 19.950 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.927 -12.817 20.577 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -17.784 -10.916 19.098 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -19.063 -11.519 18.063 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.472 -14.271 18.709 1.00 10.00 N ATOM 1590 CA VAL A 111 -14.270 -14.959 19.267 1.00 10.00 C ATOM 1591 C VAL A 111 -13.136 -13.954 19.491 1.00 10.00 C ATOM 1592 O VAL A 111 -13.089 -12.907 18.877 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.873 -15.986 18.204 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.742 -16.868 18.739 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -15.084 -16.857 17.863 1.00 12.50 C ATOM 0 H VAL A 111 -15.293 -13.660 17.912 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.474 -15.425 20.231 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.532 -15.468 17.307 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.461 -17.599 17.981 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.880 -16.247 18.982 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -13.079 -17.387 19.636 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.804 -17.589 17.106 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.424 -17.374 18.760 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.888 -16.228 17.480 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.221 -14.268 20.368 1.00 10.00 N ATOM 1606 CA LYS A 112 -11.087 -13.335 20.633 1.00 10.00 C ATOM 1607 C LYS A 112 -9.756 -14.077 20.477 1.00 10.00 C ATOM 1608 O LYS A 112 -9.599 -15.188 20.939 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.275 -12.876 22.080 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.707 -12.375 22.281 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.806 -10.913 21.839 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.008 -10.022 23.065 1.00 25.00 C ATOM 1613 NZ LYS A 112 -14.412 -10.274 23.495 1.00 25.00 N ATOM 0 H LYS A 112 -12.209 -15.130 20.913 1.00 10.00 H new ATOM 0 HA LYS A 112 -11.073 -12.494 19.940 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -11.069 -13.700 22.763 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.566 -12.082 22.315 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -13.401 -12.987 21.706 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -12.992 -12.469 23.329 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -11.900 -10.620 21.309 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -13.636 -10.787 21.144 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -12.301 -10.273 23.856 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -12.852 -8.971 22.820 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -14.862 -9.373 23.756 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -14.941 -10.712 22.714 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -14.414 -10.913 24.316 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.799 -13.474 19.827 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.481 -14.148 19.645 1.00 10.00 C ATOM 1629 C ILE A 113 -6.392 -13.129 19.314 1.00 10.00 C ATOM 1630 O ILE A 113 -6.613 -12.182 18.586 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.680 -15.114 18.476 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.354 -15.804 18.154 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -8.159 -14.335 17.249 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.584 -17.309 18.000 1.00 10.00 C ATOM 0 H ILE A 113 -8.872 -12.544 19.414 1.00 10.00 H new ATOM 0 HA ILE A 113 -7.163 -14.663 20.552 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.424 -15.864 18.746 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.933 -15.394 17.236 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.632 -15.615 18.948 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.301 -15.022 16.415 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -9.103 -13.841 17.478 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.414 -13.586 16.980 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.638 -17.800 17.770 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -6.986 -17.713 18.929 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -7.292 -17.488 17.190 1.00 10.00 H new ATOM 1646 N VAL A 114 -5.210 -13.329 19.827 1.00 10.00 N ATOM 1647 CA VAL A 114 -4.097 -12.385 19.523 1.00 10.00 C ATOM 1648 C VAL A 114 -3.302 -12.912 18.328 1.00 10.00 C ATOM 1649 O VAL A 114 -2.955 -14.076 18.270 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.229 -12.366 20.780 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -2.163 -11.277 20.651 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.103 -12.082 22.003 1.00 50.00 C ATOM 0 H VAL A 114 -4.966 -14.104 20.443 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.451 -11.386 19.269 1.00 10.00 H new ATOM 0 HB VAL A 114 -2.745 -13.335 20.898 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.545 -11.265 21.549 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.537 -11.481 19.782 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -2.646 -10.307 20.530 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -3.482 -12.069 22.899 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.590 -11.114 21.885 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.860 -12.860 22.098 1.00 50.00 H new ATOM 1662 N TYR A 115 -3.021 -12.074 17.368 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.259 -12.542 16.176 1.00 10.00 C ATOM 1664 C TYR A 115 -0.757 -12.283 16.361 1.00 10.00 C ATOM 1665 O TYR A 115 -0.351 -11.484 17.181 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.849 -11.751 14.993 1.00 50.00 C ATOM 1667 CG TYR A 115 -2.009 -10.532 14.670 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.892 -9.487 15.594 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.347 -10.454 13.437 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -1.116 -8.363 15.286 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.571 -9.330 13.129 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.454 -8.286 14.054 1.00 50.00 C ATOM 1673 OH TYR A 115 0.311 -7.179 13.751 1.00 50.00 O ATOM 0 H TYR A 115 -3.285 -11.089 17.357 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.349 -13.616 16.012 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.910 -12.396 14.116 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.866 -11.441 15.232 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.401 -9.548 16.545 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.435 -11.261 12.725 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -1.028 -7.556 15.998 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -0.063 -9.269 12.178 1.00 50.00 H new ATOM 0 HH TYR A 115 0.402 -6.616 14.548 1.00 50.00 H new ATOM 1683 N ASN A 116 0.063 -12.966 15.608 1.00 10.00 N ATOM 1684 CA ASN A 116 1.540 -12.780 15.730 1.00 10.00 C ATOM 1685 C ASN A 116 2.034 -13.300 17.082 1.00 10.00 C ATOM 1686 O ASN A 116 2.796 -12.647 17.766 1.00 10.00 O ATOM 1687 CB ASN A 116 1.780 -11.272 15.614 1.00 10.00 C ATOM 1688 CG ASN A 116 2.497 -10.974 14.296 1.00 10.00 C ATOM 1689 OD1 ASN A 116 1.881 -10.940 13.250 1.00 10.00 O ATOM 1690 ND2 ASN A 116 3.783 -10.753 14.304 1.00 10.00 N ATOM 0 H ASN A 116 -0.228 -13.649 14.909 1.00 10.00 H new ATOM 0 HA ASN A 116 2.080 -13.332 14.960 1.00 10.00 H new ATOM 0 HB2 ASN A 116 0.831 -10.737 15.654 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.379 -10.922 16.454 1.00 10.00 H new ATOM 0 HD21 ASN A 116 4.271 -10.552 13.431 1.00 10.00 H new ATOM 0 HD22 ASN A 116 4.300 -10.782 15.183 1.00 10.00 H new ATOM 1697 N ALA A 117 1.616 -14.472 17.472 1.00 10.00 N ATOM 1698 CA ALA A 117 2.077 -15.026 18.777 1.00 10.00 C ATOM 1699 C ALA A 117 3.555 -15.404 18.689 1.00 10.00 C ATOM 1700 O ALA A 117 4.236 -15.527 19.688 1.00 10.00 O ATOM 1701 CB ALA A 117 1.218 -16.267 19.012 1.00 50.00 C ATOM 0 H ALA A 117 0.977 -15.069 16.946 1.00 10.00 H new ATOM 0 HA ALA A 117 1.977 -14.307 19.590 1.00 10.00 H new ATOM 0 HB1 ALA A 117 1.500 -16.731 19.957 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.167 -15.981 19.048 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.373 -16.976 18.199 1.00 50.00 H new HETATM 1707 OH ALY A 118 8.585 -15.145 12.081 1.00 0.00 O HETATM 1708 CH ALY A 118 8.808 -13.956 12.202 1.00 0.00 C HETATM 1709 CH3 ALY A 118 9.583 -13.182 11.136 1.00 0.00 C HETATM 1710 NZ ALY A 118 8.396 -13.294 13.249 1.00 50.00 N HETATM 1711 CE ALY A 118 7.804 -14.038 14.396 1.00 50.00 C HETATM 1712 CD ALY A 118 6.296 -13.814 14.271 1.00 12.50 C HETATM 1713 CG ALY A 118 5.617 -14.176 15.593 1.00 12.50 C HETATM 1714 CB ALY A 118 5.837 -15.660 15.889 1.00 12.50 C HETATM 1715 CA ALY A 118 5.500 -15.946 17.352 1.00 12.50 C HETATM 1716 N ALY A 118 4.062 -15.584 17.498 1.00 12.50 N HETATM 1717 C ALY A 118 6.346 -15.076 18.282 1.00 12.50 C HETATM 1718 O ALY A 118 7.418 -15.460 18.706 1.00 12.50 O HETATM 0 HH33 ALY A 118 10.578 -13.613 11.024 1.00 0.00 H new HETATM 0 HH32 ALY A 118 9.053 -13.242 10.185 1.00 0.00 H new HETATM 0 HH31 ALY A 118 9.672 -12.138 11.437 1.00 0.00 H new HETATM 0 HZ ALY A 118 8.479 -12.278 13.281 1.00 50.00 H new HETATM 0 HG3 ALY A 118 4.550 -13.959 15.538 1.00 12.50 H new HETATM 0 HG2 ALY A 118 6.024 -13.569 16.401 1.00 12.50 H new HETATM 0 HE3 ALY A 118 8.182 -13.664 15.347 1.00 50.00 H new HETATM 0 HE2 ALY A 118 8.051 -15.099 14.350 1.00 50.00 H new HETATM 0 HD3 ALY A 118 5.892 -14.424 13.463 1.00 12.50 H new HETATM 0 HD2 ALY A 118 6.092 -12.774 14.017 1.00 12.50 H new HETATM 0 HCA ALY A 118 5.699 -16.985 17.613 1.00 12.50 H new HETATM 0 HB3 ALY A 118 6.872 -15.933 15.684 1.00 12.50 H new HETATM 0 HB2 ALY A 118 5.212 -16.268 15.236 1.00 12.50 H new HETATM 0 H ALY A 118 3.541 -15.231 16.695 1.00 12.50 H new ATOM 1732 N HIS A 119 5.866 -13.906 18.609 1.00 50.00 N ATOM 1733 CA HIS A 119 6.635 -13.011 19.516 1.00 50.00 C ATOM 1734 C HIS A 119 6.875 -13.710 20.856 1.00 50.00 C ATOM 1735 O HIS A 119 7.847 -13.450 21.537 1.00 50.00 O ATOM 1736 CB HIS A 119 5.748 -11.778 19.698 1.00 50.00 C ATOM 1737 CG HIS A 119 5.733 -10.981 18.422 1.00 50.00 C ATOM 1738 ND1 HIS A 119 6.897 -10.519 17.828 1.00 50.00 N ATOM 1739 CD2 HIS A 119 4.706 -10.560 17.612 1.00 50.00 C ATOM 1740 CE1 HIS A 119 6.546 -9.855 16.712 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.223 -9.850 16.533 1.00 50.00 N ATOM 0 H HIS A 119 4.973 -13.533 18.286 1.00 50.00 H new ATOM 0 HA HIS A 119 7.614 -12.748 19.115 1.00 50.00 H new ATOM 0 HB2 HIS A 119 4.735 -12.081 19.963 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.122 -11.165 20.518 1.00 50.00 H new ATOM 0 HD1 HIS A 119 7.847 -10.657 18.174 1.00 50.00 H new ATOM 0 HD2 HIS A 119 3.657 -10.751 17.786 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.249 -9.383 16.042 1.00 50.00 H new ATOM 1749 N LEU A 120 5.997 -14.597 21.239 1.00 12.50 N ATOM 1750 CA LEU A 120 6.180 -15.315 22.533 1.00 12.50 C ATOM 1751 C LEU A 120 7.643 -15.734 22.698 1.00 12.50 C ATOM 1752 O LEU A 120 8.205 -16.405 21.855 1.00 12.50 O ATOM 1753 CB LEU A 120 5.277 -16.545 22.437 1.00 12.50 C ATOM 1754 CG LEU A 120 5.144 -17.190 23.817 1.00 12.50 C ATOM 1755 CD1 LEU A 120 4.238 -16.329 24.699 1.00 12.50 C ATOM 1756 CD2 LEU A 120 4.537 -18.586 23.673 1.00 12.50 C ATOM 0 H LEU A 120 5.162 -14.855 20.713 1.00 12.50 H new ATOM 0 HA LEU A 120 5.927 -14.693 23.391 1.00 12.50 H new ATOM 0 HB2 LEU A 120 4.294 -16.259 22.061 1.00 12.50 H new ATOM 0 HB3 LEU A 120 5.694 -17.261 21.728 1.00 12.50 H new ATOM 0 HG LEU A 120 6.130 -17.268 24.276 1.00 12.50 H new ATOM 0 HD11 LEU A 120 4.144 -16.789 25.682 1.00 12.50 H new ATOM 0 HD12 LEU A 120 4.671 -15.334 24.804 1.00 12.50 H new ATOM 0 HD13 LEU A 120 3.253 -16.249 24.240 1.00 12.50 H new ATOM 0 HD21 LEU A 120 4.443 -19.045 24.657 1.00 12.50 H new ATOM 0 HD22 LEU A 120 3.552 -18.509 23.213 1.00 12.50 H new ATOM 0 HD23 LEU A 120 5.183 -19.201 23.046 1.00 12.50 H new ATOM 1768 N ASP A 121 8.267 -15.339 23.775 1.00 50.00 N ATOM 1769 CA ASP A 121 9.695 -15.711 23.989 1.00 50.00 C ATOM 1770 C ASP A 121 9.863 -17.232 23.966 1.00 50.00 C ATOM 1771 O ASP A 121 10.831 -17.750 23.446 1.00 50.00 O ATOM 1772 CB ASP A 121 10.045 -15.155 25.369 1.00 50.00 C ATOM 1773 CG ASP A 121 11.133 -14.088 25.226 1.00 50.00 C ATOM 1774 OD1 ASP A 121 10.906 -13.131 24.503 1.00 50.00 O ATOM 1775 OD2 ASP A 121 12.176 -14.247 25.838 1.00 50.00 O ATOM 0 H ASP A 121 7.850 -14.775 24.515 1.00 50.00 H new ATOM 0 HA ASP A 121 10.344 -15.312 23.209 1.00 50.00 H new ATOM 0 HB2 ASP A 121 9.158 -14.726 25.836 1.00 50.00 H new ATOM 0 HB3 ASP A 121 10.391 -15.958 26.020 1.00 50.00 H new ATOM 1780 N TYR A 122 8.931 -17.953 24.526 1.00 16.66 N ATOM 1781 CA TYR A 122 9.046 -19.440 24.535 1.00 16.66 C ATOM 1782 C TYR A 122 9.166 -19.964 23.103 1.00 16.66 C ATOM 1783 O TYR A 122 9.767 -20.990 22.854 1.00 16.66 O ATOM 1784 CB TYR A 122 7.754 -19.937 25.184 1.00 16.66 C ATOM 1785 CG TYR A 122 8.090 -20.922 26.277 1.00 16.66 C ATOM 1786 CD1 TYR A 122 8.373 -22.256 25.956 1.00 16.66 C ATOM 1787 CD2 TYR A 122 8.122 -20.503 27.611 1.00 16.66 C ATOM 1788 CE1 TYR A 122 8.684 -23.169 26.970 1.00 16.66 C ATOM 1789 CE2 TYR A 122 8.433 -21.415 28.625 1.00 16.66 C ATOM 1790 CZ TYR A 122 8.715 -22.749 28.305 1.00 16.66 C ATOM 1791 OH TYR A 122 9.023 -23.648 29.305 1.00 16.66 O ATOM 0 H TYR A 122 8.096 -17.578 24.977 1.00 16.66 H new ATOM 0 HA TYR A 122 9.928 -19.784 25.076 1.00 16.66 H new ATOM 0 HB2 TYR A 122 7.194 -19.097 25.595 1.00 16.66 H new ATOM 0 HB3 TYR A 122 7.117 -20.409 24.437 1.00 16.66 H new ATOM 0 HD1 TYR A 122 8.351 -22.580 24.926 1.00 16.66 H new ATOM 0 HD2 TYR A 122 7.906 -19.474 27.858 1.00 16.66 H new ATOM 0 HE1 TYR A 122 8.900 -24.198 26.723 1.00 16.66 H new ATOM 0 HE2 TYR A 122 8.456 -21.090 29.655 1.00 16.66 H new ATOM 0 HH TYR A 122 9.001 -23.192 30.172 1.00 16.66 H new ATOM 1801 N LEU A 123 8.599 -19.265 22.160 1.00 50.00 N ATOM 1802 CA LEU A 123 8.680 -19.720 20.742 1.00 50.00 C ATOM 1803 C LEU A 123 9.791 -18.963 20.009 1.00 50.00 C ATOM 1804 O LEU A 123 10.363 -19.452 19.056 1.00 50.00 O ATOM 1805 CB LEU A 123 7.316 -19.387 20.140 1.00 50.00 C ATOM 1806 CG LEU A 123 6.481 -20.665 20.032 1.00 50.00 C ATOM 1807 CD1 LEU A 123 5.101 -20.326 19.467 1.00 50.00 C ATOM 1808 CD2 LEU A 123 7.185 -21.656 19.103 1.00 50.00 C ATOM 0 H LEU A 123 8.083 -18.398 22.309 1.00 50.00 H new ATOM 0 HA LEU A 123 8.911 -20.782 20.661 1.00 50.00 H new ATOM 0 HB2 LEU A 123 6.801 -18.655 20.762 1.00 50.00 H new ATOM 0 HB3 LEU A 123 7.441 -18.937 19.155 1.00 50.00 H new ATOM 0 HG LEU A 123 6.368 -21.111 21.020 1.00 50.00 H new ATOM 0 HD11 LEU A 123 4.506 -21.236 19.390 1.00 50.00 H new ATOM 0 HD12 LEU A 123 4.600 -19.620 20.129 1.00 50.00 H new ATOM 0 HD13 LEU A 123 5.212 -19.880 18.479 1.00 50.00 H new ATOM 0 HD21 LEU A 123 6.591 -22.567 19.025 1.00 50.00 H new ATOM 0 HD22 LEU A 123 7.298 -21.211 18.114 1.00 50.00 H new ATOM 0 HD23 LEU A 123 8.168 -21.897 19.507 1.00 50.00 H new ATOM 1820 N GLN A 124 10.101 -17.773 20.447 1.00 50.00 N ATOM 1821 CA GLN A 124 11.175 -16.988 19.774 1.00 50.00 C ATOM 1822 C GLN A 124 12.482 -17.782 19.762 1.00 50.00 C ATOM 1823 O GLN A 124 13.301 -17.638 18.875 1.00 50.00 O ATOM 1824 CB GLN A 124 11.322 -15.718 20.615 1.00 50.00 C ATOM 1825 CG GLN A 124 10.321 -14.666 20.130 1.00 50.00 C ATOM 1826 CD GLN A 124 10.945 -13.847 18.999 1.00 50.00 C ATOM 1827 OE1 GLN A 124 12.015 -14.167 18.518 1.00 50.00 O ATOM 1828 NE2 GLN A 124 10.317 -12.794 18.549 1.00 50.00 N ATOM 0 H GLN A 124 9.658 -17.311 21.241 1.00 50.00 H new ATOM 0 HA GLN A 124 10.934 -16.762 18.735 1.00 50.00 H new ATOM 0 HB2 GLN A 124 11.148 -15.944 21.667 1.00 50.00 H new ATOM 0 HB3 GLN A 124 12.338 -15.332 20.536 1.00 50.00 H new ATOM 0 HG2 GLN A 124 9.409 -15.151 19.781 1.00 50.00 H new ATOM 0 HG3 GLN A 124 10.039 -14.011 20.954 1.00 50.00 H new ATOM 0 HE21 GLN A 124 9.419 -12.525 18.952 1.00 50.00 H new ATOM 0 HE22 GLN A 124 10.724 -12.241 17.795 1.00 50.00 H new ATOM 1837 N ASN A 125 12.684 -18.622 20.739 1.00 50.00 N ATOM 1838 CA ASN A 125 13.937 -19.427 20.783 1.00 50.00 C ATOM 1839 C ASN A 125 14.081 -20.241 19.494 1.00 50.00 C ATOM 1840 O ASN A 125 15.172 -20.578 19.080 1.00 50.00 O ATOM 1841 CB ASN A 125 13.772 -20.355 21.987 1.00 50.00 C ATOM 1842 CG ASN A 125 14.815 -21.471 21.917 1.00 50.00 C ATOM 1843 OD1 ASN A 125 15.860 -21.305 21.322 1.00 50.00 O ATOM 1844 ND2 ASN A 125 14.572 -22.610 22.505 1.00 50.00 N ATOM 0 H ASN A 125 12.035 -18.786 21.509 1.00 50.00 H new ATOM 0 HA ASN A 125 14.827 -18.804 20.870 1.00 50.00 H new ATOM 0 HB2 ASN A 125 13.888 -19.791 22.913 1.00 50.00 H new ATOM 0 HB3 ASN A 125 12.769 -20.781 21.997 1.00 50.00 H new ATOM 0 HD21 ASN A 125 15.260 -23.362 22.465 1.00 50.00 H new ATOM 0 HD22 ASN A 125 13.694 -22.749 23.005 1.00 50.00 H new ATOM 1851 N ARG A 126 12.987 -20.556 18.858 1.00 50.00 N ATOM 1852 CA ARG A 126 13.059 -21.345 17.596 1.00 50.00 C ATOM 1853 C ARG A 126 13.811 -20.551 16.524 1.00 50.00 C ATOM 1854 O ARG A 126 14.247 -21.092 15.528 1.00 50.00 O ATOM 1855 CB ARG A 126 11.602 -21.562 17.183 1.00 50.00 C ATOM 1856 CG ARG A 126 11.360 -23.050 16.925 1.00 50.00 C ATOM 1857 CD ARG A 126 11.309 -23.798 18.260 1.00 50.00 C ATOM 1858 NE ARG A 126 11.243 -25.239 17.886 1.00 50.00 N ATOM 1859 CZ ARG A 126 12.306 -25.989 17.982 1.00 50.00 C ATOM 1860 NH1 ARG A 126 13.107 -26.119 16.960 1.00 50.00 N ATOM 1861 NH2 ARG A 126 12.569 -26.609 19.100 1.00 50.00 N ATOM 0 H ARG A 126 12.046 -20.301 19.157 1.00 50.00 H new ATOM 0 HA ARG A 126 13.590 -22.288 17.724 1.00 50.00 H new ATOM 0 HB2 ARG A 126 10.934 -21.205 17.967 1.00 50.00 H new ATOM 0 HB3 ARG A 126 11.378 -20.985 16.286 1.00 50.00 H new ATOM 0 HG2 ARG A 126 10.425 -23.189 16.382 1.00 50.00 H new ATOM 0 HG3 ARG A 126 12.155 -23.455 16.299 1.00 50.00 H new ATOM 0 HD2 ARG A 126 12.190 -23.586 18.866 1.00 50.00 H new ATOM 0 HD3 ARG A 126 10.440 -23.501 18.847 1.00 50.00 H new ATOM 0 HE ARG A 126 10.365 -25.639 17.554 1.00 50.00 H new ATOM 0 HH11 ARG A 126 12.902 -25.634 16.086 1.00 50.00 H new ATOM 0 HH12 ARG A 126 13.938 -26.705 17.035 1.00 50.00 H new ATOM 0 HH21 ARG A 126 11.943 -26.507 19.899 1.00 50.00 H new ATOM 0 HH22 ARG A 126 13.400 -27.195 19.175 1.00 50.00 H new ATOM 1875 N VAL A 127 13.966 -19.271 16.725 1.00 50.00 N ATOM 1876 CA VAL A 127 14.690 -18.439 15.722 1.00 50.00 C ATOM 1877 C VAL A 127 16.196 -18.703 15.802 1.00 50.00 C ATOM 1878 O VAL A 127 16.882 -18.747 14.801 1.00 50.00 O ATOM 1879 CB VAL A 127 14.379 -16.993 16.109 1.00 50.00 C ATOM 1880 CG1 VAL A 127 15.227 -16.043 15.261 1.00 50.00 C ATOM 1881 CG2 VAL A 127 12.895 -16.709 15.865 1.00 50.00 C ATOM 0 H VAL A 127 13.622 -18.765 17.541 1.00 50.00 H new ATOM 0 HA VAL A 127 14.382 -18.664 14.701 1.00 50.00 H new ATOM 0 HB VAL A 127 14.610 -16.841 17.163 1.00 50.00 H new ATOM 0 HG11 VAL A 127 15.005 -15.012 15.537 1.00 50.00 H new ATOM 0 HG12 VAL A 127 16.284 -16.246 15.435 1.00 50.00 H new ATOM 0 HG13 VAL A 127 14.997 -16.193 14.206 1.00 50.00 H new ATOM 0 HG21 VAL A 127 12.672 -15.678 16.141 1.00 50.00 H new ATOM 0 HG22 VAL A 127 12.664 -16.861 14.811 1.00 50.00 H new ATOM 0 HG23 VAL A 127 12.291 -17.385 16.470 1.00 50.00 H new ATOM 1891 N ILE A 128 16.715 -18.876 16.987 1.00 50.00 N ATOM 1892 CA ILE A 128 18.175 -19.135 17.132 1.00 50.00 C ATOM 1893 C ILE A 128 18.455 -20.639 17.078 1.00 50.00 C ATOM 1894 O ILE A 128 17.562 -21.400 17.413 1.00 50.00 O ATOM 1895 CB ILE A 128 18.542 -18.567 18.503 1.00 50.00 C ATOM 1896 CG1 ILE A 128 18.437 -17.040 18.468 1.00 50.00 C ATOM 1897 CG2 ILE A 128 19.974 -18.971 18.856 1.00 50.00 C ATOM 1898 CD1 ILE A 128 19.587 -16.469 17.635 1.00 50.00 C ATOM 1899 OXT ILE A 128 19.558 -21.003 16.703 1.00 50.00 O ATOM 0 H ILE A 128 16.190 -18.849 17.861 1.00 50.00 H new ATOM 0 HA ILE A 128 18.758 -18.678 16.332 1.00 50.00 H new ATOM 0 HB ILE A 128 17.858 -18.961 19.254 1.00 50.00 H new ATOM 0 HG12 ILE A 128 17.480 -16.740 18.040 1.00 50.00 H new ATOM 0 HG13 ILE A 128 18.473 -16.639 19.481 1.00 50.00 H new ATOM 0 HG21 ILE A 128 20.236 -18.566 19.834 1.00 50.00 H new ATOM 0 HG22 ILE A 128 20.050 -20.058 18.881 1.00 50.00 H new ATOM 0 HG23 ILE A 128 20.659 -18.577 18.105 1.00 50.00 H new ATOM 0 HD11 ILE A 128 19.513 -15.382 17.610 1.00 50.00 H new ATOM 0 HD12 ILE A 128 20.538 -16.758 18.082 1.00 50.00 H new ATOM 0 HD13 ILE A 128 19.530 -16.860 16.619 1.00 50.00 H new TER 1911 ILE A 128 HETATM 1912 FE1 FES A 130 2.928 -23.578 10.155 1.00 0.00 FE HETATM 1913 FE2 FES A 130 0.677 -22.207 10.542 1.00 0.00 FE HETATM 1914 S1 FES A 130 2.412 -21.582 9.252 1.00 0.00 S HETATM 1915 S2 FES A 130 1.247 -24.139 11.543 1.00 0.00 S