USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot -122:sc= 0.143 USER MOD Set 1.2: A 37 HIS : no HE2:sc=-0.00439 X(o=0.14,f=0) USER MOD Single : A 2 MET CE :methyl -168:sc= -4.47! (180deg=-5.05!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.879 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -3.18 K(o=-3.2,f=-5.5!) USER MOD Single : A 9 MET CE :methyl -160:sc= -0.033 (180deg=-0.706) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0732 USER MOD Single : A 17 GLN : amide:sc= -0.018 K(o=-0.018,f=-0.66) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00952) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 THR OG1 : rot -78:sc= 0.377 USER MOD Single : A 57 ASN : amide:sc= -0.0672 X(o=-0.067,f=0) USER MOD Single : A 63 SER OG : rot -108:sc= 0.34 USER MOD Single : A 65 LYS NZ :NH3+ -124:sc=-0.000171 (180deg=-0.0118) USER MOD Single : A 66 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-5.4!) USER MOD Single : A 69 MET CE :methyl 154:sc= 0 (180deg=-0.3) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 173:sc= -0.896 USER MOD Single : A 74 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.4!) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -107:sc= -1.64 (180deg=-5.23!) USER MOD Single : A 83 GLN : amide:sc= -1.93! C(o=-1.9!,f=-5.5!) USER MOD Single : A 85 ASN : amide:sc=-0.00396 X(o=-0.004,f=-0.22) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -30.970 -16.394 -14.984 1.00 0.00 N ATOM 18 CA MET A 2 -29.759 -17.054 -15.459 1.00 0.00 C ATOM 19 C MET A 2 -30.085 -18.414 -16.069 1.00 0.00 C ATOM 20 O MET A 2 -30.609 -19.299 -15.392 1.00 0.00 O ATOM 21 CB MET A 2 -28.763 -17.222 -14.309 1.00 0.00 C ATOM 22 CG MET A 2 -27.482 -17.936 -14.709 1.00 0.00 C ATOM 23 SD MET A 2 -27.279 -19.524 -13.878 1.00 0.00 S ATOM 24 CE MET A 2 -25.992 -19.122 -12.701 1.00 0.00 C ATOM 0 HA MET A 2 -29.311 -16.429 -16.231 1.00 0.00 H new ATOM 0 HB2 MET A 2 -28.511 -16.239 -13.912 1.00 0.00 H new ATOM 0 HB3 MET A 2 -29.242 -17.778 -13.503 1.00 0.00 H new ATOM 0 HG2 MET A 2 -27.480 -18.093 -15.788 1.00 0.00 H new ATOM 0 HG3 MET A 2 -26.629 -17.298 -14.478 1.00 0.00 H new ATOM 0 HE1 MET A 2 -25.604 -20.040 -12.259 1.00 0.00 H new ATOM 0 HE2 MET A 2 -25.185 -18.595 -13.210 1.00 0.00 H new ATOM 0 HE3 MET A 2 -26.402 -18.486 -11.916 1.00 0.00 H new ATOM 34 N ASN A 3 -29.775 -18.573 -17.353 1.00 0.00 N ATOM 35 CA ASN A 3 -30.040 -19.825 -18.052 1.00 0.00 C ATOM 36 C ASN A 3 -28.754 -20.425 -18.613 1.00 0.00 C ATOM 37 O ASN A 3 -28.162 -19.888 -19.549 1.00 0.00 O ATOM 38 CB ASN A 3 -31.047 -19.597 -19.181 1.00 0.00 C ATOM 39 CG ASN A 3 -32.129 -20.659 -19.215 1.00 0.00 C ATOM 40 OD1 ASN A 3 -33.304 -20.371 -18.990 1.00 0.00 O ATOM 41 ND2 ASN A 3 -31.735 -21.896 -19.496 1.00 0.00 N ATOM 0 H ASN A 3 -29.341 -17.851 -17.929 1.00 0.00 H new ATOM 0 HA ASN A 3 -30.460 -20.529 -17.334 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -31.508 -18.617 -19.060 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.522 -19.587 -20.136 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -32.418 -22.653 -19.532 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -30.750 -22.089 -19.676 1.00 0.00 H new ATOM 48 N ILE A 4 -28.334 -21.548 -18.038 1.00 0.00 N ATOM 49 CA ILE A 4 -27.123 -22.229 -18.483 1.00 0.00 C ATOM 50 C ILE A 4 -27.463 -23.551 -19.166 1.00 0.00 C ATOM 51 O ILE A 4 -28.151 -24.396 -18.595 1.00 0.00 O ATOM 52 CB ILE A 4 -26.162 -22.506 -17.307 1.00 0.00 C ATOM 53 CG1 ILE A 4 -25.888 -21.218 -16.526 1.00 0.00 C ATOM 54 CG2 ILE A 4 -24.860 -23.108 -17.817 1.00 0.00 C ATOM 55 CD1 ILE A 4 -24.967 -21.414 -15.338 1.00 0.00 C ATOM 0 H ILE A 4 -28.814 -22.005 -17.263 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.630 -21.565 -19.193 1.00 0.00 H new ATOM 0 HB ILE A 4 -26.634 -23.223 -16.635 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -25.448 -20.482 -17.199 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.835 -20.806 -16.177 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.193 -23.298 -16.976 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -25.070 -24.045 -18.332 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.384 -22.413 -18.508 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -24.818 -20.460 -14.832 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.414 -22.126 -14.645 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -24.006 -21.797 -15.682 1.00 0.00 H new ATOM 67 N THR A 5 -26.976 -23.722 -20.391 1.00 0.00 N ATOM 68 CA THR A 5 -27.225 -24.943 -21.149 1.00 0.00 C ATOM 69 C THR A 5 -25.945 -25.460 -21.793 1.00 0.00 C ATOM 70 O THR A 5 -24.972 -24.721 -21.948 1.00 0.00 O ATOM 71 CB THR A 5 -28.285 -24.701 -22.224 1.00 0.00 C ATOM 72 OG1 THR A 5 -28.110 -23.431 -22.827 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.699 -24.777 -21.695 1.00 0.00 C ATOM 0 H THR A 5 -26.407 -23.031 -20.880 1.00 0.00 H new ATOM 0 HA THR A 5 -27.590 -25.697 -20.452 1.00 0.00 H new ATOM 0 HB THR A 5 -28.147 -25.500 -22.953 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.928 -22.903 -22.720 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.402 -24.596 -22.508 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.877 -25.767 -21.274 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.839 -24.023 -20.920 1.00 0.00 H new ATOM 81 N SER A 6 -25.950 -26.736 -22.159 1.00 0.00 N ATOM 82 CA SER A 6 -24.790 -27.364 -22.778 1.00 0.00 C ATOM 83 C SER A 6 -25.189 -28.672 -23.454 1.00 0.00 C ATOM 84 O SER A 6 -26.007 -29.429 -22.932 1.00 0.00 O ATOM 85 CB SER A 6 -23.709 -27.629 -21.728 1.00 0.00 C ATOM 86 OG SER A 6 -24.034 -28.755 -20.932 1.00 0.00 O ATOM 0 H SER A 6 -26.749 -27.358 -22.037 1.00 0.00 H new ATOM 0 HA SER A 6 -24.393 -26.686 -23.533 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.751 -27.793 -22.222 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.593 -26.752 -21.092 1.00 0.00 H new ATOM 0 HG SER A 6 -23.326 -28.903 -20.271 1.00 0.00 H new ATOM 92 N LYS A 7 -24.609 -28.927 -24.623 1.00 0.00 N ATOM 93 CA LYS A 7 -24.909 -30.139 -25.377 1.00 0.00 C ATOM 94 C LYS A 7 -23.810 -31.182 -25.197 1.00 0.00 C ATOM 95 O LYS A 7 -23.513 -31.950 -26.112 1.00 0.00 O ATOM 96 CB LYS A 7 -25.078 -29.811 -26.863 1.00 0.00 C ATOM 97 CG LYS A 7 -26.236 -28.866 -27.148 1.00 0.00 C ATOM 98 CD LYS A 7 -25.823 -27.734 -28.078 1.00 0.00 C ATOM 99 CE LYS A 7 -26.727 -27.652 -29.297 1.00 0.00 C ATOM 100 NZ LYS A 7 -27.790 -26.624 -29.133 1.00 0.00 N ATOM 0 H LYS A 7 -23.929 -28.311 -25.068 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.842 -30.552 -24.993 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.156 -29.366 -27.236 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.231 -30.738 -27.416 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -27.059 -29.423 -27.596 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.606 -28.450 -26.211 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -25.854 -26.788 -27.537 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -24.792 -27.884 -28.399 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -26.129 -27.418 -30.177 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -27.187 -28.624 -29.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -28.384 -26.600 -29.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -28.378 -26.861 -28.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -27.352 -25.692 -28.990 1.00 0.00 H new ATOM 114 N GLN A 8 -23.215 -31.204 -24.010 1.00 0.00 N ATOM 115 CA GLN A 8 -22.160 -32.151 -23.701 1.00 0.00 C ATOM 116 C GLN A 8 -22.305 -32.666 -22.273 1.00 0.00 C ATOM 117 O GLN A 8 -22.291 -33.873 -22.031 1.00 0.00 O ATOM 118 CB GLN A 8 -20.786 -31.507 -23.898 1.00 0.00 C ATOM 119 CG GLN A 8 -20.024 -32.060 -25.092 1.00 0.00 C ATOM 120 CD GLN A 8 -18.724 -32.735 -24.698 1.00 0.00 C ATOM 121 OE1 GLN A 8 -18.464 -32.968 -23.517 1.00 0.00 O ATOM 122 NE2 GLN A 8 -17.898 -33.053 -25.689 1.00 0.00 N ATOM 0 H GLN A 8 -23.450 -30.572 -23.245 1.00 0.00 H new ATOM 0 HA GLN A 8 -22.247 -32.996 -24.384 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.912 -30.432 -24.023 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.191 -31.655 -22.997 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -20.654 -32.776 -25.620 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.811 -31.249 -25.788 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.153 -32.842 -26.654 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.008 -33.509 -25.485 1.00 0.00 H new ATOM 131 N MET A 9 -22.449 -31.740 -21.330 1.00 0.00 N ATOM 132 CA MET A 9 -22.604 -32.093 -19.925 1.00 0.00 C ATOM 133 C MET A 9 -23.926 -31.560 -19.380 1.00 0.00 C ATOM 134 O MET A 9 -24.740 -31.014 -20.124 1.00 0.00 O ATOM 135 CB MET A 9 -21.439 -31.537 -19.104 1.00 0.00 C ATOM 136 CG MET A 9 -20.082 -31.746 -19.755 1.00 0.00 C ATOM 137 SD MET A 9 -18.749 -30.923 -18.860 1.00 0.00 S ATOM 138 CE MET A 9 -18.265 -29.672 -20.047 1.00 0.00 C ATOM 0 H MET A 9 -22.461 -30.737 -21.515 1.00 0.00 H new ATOM 0 HA MET A 9 -22.606 -33.180 -19.845 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.595 -30.470 -18.943 1.00 0.00 H new ATOM 0 HB3 MET A 9 -21.439 -32.011 -18.122 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.871 -32.814 -19.812 1.00 0.00 H new ATOM 0 HG3 MET A 9 -20.113 -31.372 -20.778 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.258 -29.323 -19.817 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.282 -30.097 -21.051 1.00 0.00 H new ATOM 0 HE3 MET A 9 -18.960 -28.834 -19.996 1.00 0.00 H new ATOM 148 N GLU A 10 -24.132 -31.719 -18.077 1.00 0.00 N ATOM 149 CA GLU A 10 -25.355 -31.251 -17.435 1.00 0.00 C ATOM 150 C GLU A 10 -25.062 -30.082 -16.501 1.00 0.00 C ATOM 151 O GLU A 10 -23.902 -29.746 -16.257 1.00 0.00 O ATOM 152 CB GLU A 10 -26.015 -32.389 -16.654 1.00 0.00 C ATOM 153 CG GLU A 10 -25.054 -33.141 -15.747 1.00 0.00 C ATOM 154 CD GLU A 10 -24.766 -34.546 -16.237 1.00 0.00 C ATOM 155 OE1 GLU A 10 -23.880 -34.703 -17.104 1.00 0.00 O ATOM 156 OE2 GLU A 10 -25.427 -35.491 -15.755 1.00 0.00 O ATOM 0 H GLU A 10 -23.469 -32.168 -17.445 1.00 0.00 H new ATOM 0 HA GLU A 10 -26.038 -30.911 -18.213 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.827 -31.982 -16.052 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -26.461 -33.091 -17.358 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.118 -32.586 -15.676 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.472 -33.190 -14.742 1.00 0.00 H new ATOM 163 N ILE A 11 -26.118 -29.460 -15.986 1.00 0.00 N ATOM 164 CA ILE A 11 -25.971 -28.325 -15.087 1.00 0.00 C ATOM 165 C ILE A 11 -25.917 -28.780 -13.637 1.00 0.00 C ATOM 166 O ILE A 11 -26.904 -29.272 -13.088 1.00 0.00 O ATOM 167 CB ILE A 11 -27.133 -27.334 -15.261 1.00 0.00 C ATOM 168 CG1 ILE A 11 -27.416 -27.116 -16.750 1.00 0.00 C ATOM 169 CG2 ILE A 11 -26.820 -26.017 -14.562 1.00 0.00 C ATOM 170 CD1 ILE A 11 -26.434 -26.183 -17.428 1.00 0.00 C ATOM 0 H ILE A 11 -27.084 -29.724 -16.177 1.00 0.00 H new ATOM 0 HA ILE A 11 -25.034 -27.830 -15.341 1.00 0.00 H new ATOM 0 HB ILE A 11 -28.028 -27.751 -14.800 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -27.398 -28.080 -17.259 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -28.423 -26.714 -16.864 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.653 -25.327 -14.695 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.665 -26.197 -13.498 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -25.917 -25.583 -14.992 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -26.699 -26.078 -18.480 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -26.468 -25.206 -16.946 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -25.427 -26.593 -17.347 1.00 0.00 H new ATOM 182 N THR A 12 -24.756 -28.603 -13.023 1.00 0.00 N ATOM 183 CA THR A 12 -24.557 -28.983 -11.630 1.00 0.00 C ATOM 184 C THR A 12 -24.691 -27.773 -10.712 1.00 0.00 C ATOM 185 O THR A 12 -24.431 -26.642 -11.123 1.00 0.00 O ATOM 186 CB THR A 12 -23.178 -29.623 -11.450 1.00 0.00 C ATOM 187 OG1 THR A 12 -22.162 -28.637 -11.474 1.00 0.00 O ATOM 188 CG2 THR A 12 -22.849 -30.648 -12.512 1.00 0.00 C ATOM 0 H THR A 12 -23.934 -28.197 -13.469 1.00 0.00 H new ATOM 0 HA THR A 12 -25.326 -29.707 -11.361 1.00 0.00 H new ATOM 0 HB THR A 12 -23.218 -30.127 -10.484 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.288 -29.065 -11.356 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.858 -31.062 -12.324 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.588 -31.449 -12.486 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.864 -30.173 -13.493 1.00 0.00 H new ATOM 196 N PRO A 13 -25.084 -27.992 -9.445 1.00 0.00 N ATOM 197 CA PRO A 13 -25.229 -26.908 -8.470 1.00 0.00 C ATOM 198 C PRO A 13 -23.925 -26.145 -8.271 1.00 0.00 C ATOM 199 O PRO A 13 -23.924 -25.027 -7.754 1.00 0.00 O ATOM 200 CB PRO A 13 -25.637 -27.627 -7.178 1.00 0.00 C ATOM 201 CG PRO A 13 -26.166 -28.948 -7.620 1.00 0.00 C ATOM 202 CD PRO A 13 -25.400 -29.306 -8.862 1.00 0.00 C ATOM 0 HA PRO A 13 -25.955 -26.162 -8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.786 -27.747 -6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.393 -27.061 -6.634 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -26.028 -29.702 -6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -27.235 -28.892 -7.824 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.498 -29.873 -8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -25.995 -29.917 -9.541 1.00 0.00 H new ATOM 210 N ALA A 14 -22.815 -26.745 -8.692 1.00 0.00 N ATOM 211 CA ALA A 14 -21.516 -26.105 -8.565 1.00 0.00 C ATOM 212 C ALA A 14 -21.299 -25.113 -9.699 1.00 0.00 C ATOM 213 O ALA A 14 -20.819 -24.000 -9.485 1.00 0.00 O ATOM 214 CB ALA A 14 -20.410 -27.149 -8.553 1.00 0.00 C ATOM 0 H ALA A 14 -22.792 -27.670 -9.122 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.489 -25.561 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.444 -26.654 -8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.557 -27.825 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.436 -27.717 -9.483 1.00 0.00 H new ATOM 220 N ILE A 15 -21.679 -25.523 -10.906 1.00 0.00 N ATOM 221 CA ILE A 15 -21.550 -24.668 -12.074 1.00 0.00 C ATOM 222 C ILE A 15 -22.596 -23.567 -12.011 1.00 0.00 C ATOM 223 O ILE A 15 -22.390 -22.464 -12.520 1.00 0.00 O ATOM 224 CB ILE A 15 -21.720 -25.464 -13.385 1.00 0.00 C ATOM 225 CG1 ILE A 15 -20.716 -26.617 -13.440 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.547 -24.550 -14.590 1.00 0.00 C ATOM 227 CD1 ILE A 15 -21.116 -27.723 -14.391 1.00 0.00 C ATOM 0 H ILE A 15 -22.078 -26.442 -11.097 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.548 -24.239 -12.069 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.728 -25.879 -13.410 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.743 -26.227 -13.739 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -20.599 -27.034 -12.440 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.670 -25.128 -15.506 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -22.296 -23.759 -14.557 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.551 -24.108 -14.571 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.358 -28.506 -14.378 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -22.074 -28.140 -14.081 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -21.205 -27.321 -15.400 1.00 0.00 H new ATOM 239 N ARG A 16 -23.712 -23.871 -11.356 1.00 0.00 N ATOM 240 CA ARG A 16 -24.786 -22.911 -11.193 1.00 0.00 C ATOM 241 C ARG A 16 -24.397 -21.882 -10.139 1.00 0.00 C ATOM 242 O ARG A 16 -24.549 -20.680 -10.343 1.00 0.00 O ATOM 243 CB ARG A 16 -26.080 -23.619 -10.787 1.00 0.00 C ATOM 244 CG ARG A 16 -27.030 -23.859 -11.949 1.00 0.00 C ATOM 245 CD ARG A 16 -28.167 -22.849 -11.959 1.00 0.00 C ATOM 246 NE ARG A 16 -29.257 -23.246 -11.071 1.00 0.00 N ATOM 247 CZ ARG A 16 -30.191 -22.409 -10.625 1.00 0.00 C ATOM 248 NH1 ARG A 16 -30.171 -21.130 -10.981 1.00 0.00 N ATOM 249 NH2 ARG A 16 -31.147 -22.852 -9.820 1.00 0.00 N ATOM 0 H ARG A 16 -23.892 -24.780 -10.930 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.955 -22.405 -12.144 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -25.832 -24.576 -10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -26.589 -23.023 -10.029 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -26.480 -23.798 -12.888 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -27.439 -24.867 -11.884 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -27.788 -21.873 -11.655 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -28.547 -22.741 -12.975 1.00 0.00 H new ATOM 0 HE ARG A 16 -29.305 -24.221 -10.776 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -29.437 -20.784 -11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -30.889 -20.493 -10.636 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -31.166 -23.833 -9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -31.863 -22.211 -9.478 1.00 0.00 H new ATOM 263 N GLN A 17 -23.873 -22.371 -9.016 1.00 0.00 N ATOM 264 CA GLN A 17 -23.438 -21.503 -7.931 1.00 0.00 C ATOM 265 C GLN A 17 -22.222 -20.684 -8.350 1.00 0.00 C ATOM 266 O GLN A 17 -22.118 -19.506 -8.011 1.00 0.00 O ATOM 267 CB GLN A 17 -23.128 -22.331 -6.681 1.00 0.00 C ATOM 268 CG GLN A 17 -22.511 -21.527 -5.548 1.00 0.00 C ATOM 269 CD GLN A 17 -23.416 -20.411 -5.063 1.00 0.00 C ATOM 270 OE1 GLN A 17 -24.641 -20.517 -5.128 1.00 0.00 O ATOM 271 NE2 GLN A 17 -22.816 -19.332 -4.574 1.00 0.00 N ATOM 0 H GLN A 17 -23.741 -23.366 -8.837 1.00 0.00 H new ATOM 0 HA GLN A 17 -24.247 -20.811 -7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -24.049 -22.794 -6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -22.449 -23.139 -6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -22.285 -22.194 -4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -21.564 -21.102 -5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -21.798 -19.287 -4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -23.374 -18.549 -4.233 1.00 0.00 H new ATOM 280 N HIS A 18 -21.313 -21.292 -9.100 1.00 0.00 N ATOM 281 CA HIS A 18 -20.128 -20.579 -9.564 1.00 0.00 C ATOM 282 C HIS A 18 -20.542 -19.382 -10.421 1.00 0.00 C ATOM 283 O HIS A 18 -20.270 -18.229 -10.069 1.00 0.00 O ATOM 284 CB HIS A 18 -19.198 -21.515 -10.342 1.00 0.00 C ATOM 285 CG HIS A 18 -18.040 -20.817 -10.988 1.00 0.00 C ATOM 286 ND1 HIS A 18 -16.919 -20.415 -10.294 1.00 0.00 N ATOM 287 CD2 HIS A 18 -17.836 -20.454 -12.275 1.00 0.00 C ATOM 288 CE1 HIS A 18 -16.074 -19.833 -11.126 1.00 0.00 C ATOM 289 NE2 HIS A 18 -16.606 -19.844 -12.335 1.00 0.00 N ATOM 0 H HIS A 18 -21.370 -22.266 -9.398 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.578 -20.213 -8.697 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -18.817 -22.279 -9.665 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -19.775 -22.029 -11.111 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -18.513 -20.614 -13.101 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.112 -19.419 -10.863 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -16.174 -19.462 -13.176 1.00 0.00 H new ATOM 298 N VAL A 19 -21.220 -19.650 -11.527 1.00 0.00 N ATOM 299 CA VAL A 19 -21.683 -18.589 -12.402 1.00 0.00 C ATOM 300 C VAL A 19 -22.639 -17.661 -11.659 1.00 0.00 C ATOM 301 O VAL A 19 -22.501 -16.440 -11.726 1.00 0.00 O ATOM 302 CB VAL A 19 -22.391 -19.156 -13.646 1.00 0.00 C ATOM 303 CG1 VAL A 19 -22.731 -18.041 -14.619 1.00 0.00 C ATOM 304 CG2 VAL A 19 -21.530 -20.216 -14.319 1.00 0.00 C ATOM 0 H VAL A 19 -21.460 -20.591 -11.837 1.00 0.00 H new ATOM 0 HA VAL A 19 -20.806 -18.028 -12.724 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.321 -19.627 -13.327 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -23.231 -18.460 -15.492 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -23.391 -17.323 -14.133 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -21.815 -17.539 -14.931 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -22.049 -20.604 -15.196 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -20.582 -19.774 -14.625 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.342 -21.030 -13.619 1.00 0.00 H new ATOM 314 N ALA A 20 -23.598 -18.240 -10.944 1.00 0.00 N ATOM 315 CA ALA A 20 -24.564 -17.448 -10.188 1.00 0.00 C ATOM 316 C ALA A 20 -23.877 -16.526 -9.183 1.00 0.00 C ATOM 317 O ALA A 20 -24.260 -15.365 -9.045 1.00 0.00 O ATOM 318 CB ALA A 20 -25.577 -18.338 -9.496 1.00 0.00 C ATOM 0 H ALA A 20 -23.728 -19.249 -10.872 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.094 -16.819 -10.903 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -26.284 -17.721 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -26.115 -18.925 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -25.062 -19.009 -8.808 1.00 0.00 H new ATOM 324 N ASP A 21 -22.864 -17.032 -8.482 1.00 0.00 N ATOM 325 CA ASP A 21 -22.154 -16.213 -7.502 1.00 0.00 C ATOM 326 C ASP A 21 -21.533 -14.997 -8.180 1.00 0.00 C ATOM 327 O ASP A 21 -21.435 -13.922 -7.586 1.00 0.00 O ATOM 328 CB ASP A 21 -21.080 -17.030 -6.771 1.00 0.00 C ATOM 329 CG ASP A 21 -19.799 -17.209 -7.571 1.00 0.00 C ATOM 330 OD1 ASP A 21 -19.210 -16.192 -7.993 1.00 0.00 O ATOM 331 OD2 ASP A 21 -19.380 -18.367 -7.763 1.00 0.00 O ATOM 0 H ASP A 21 -22.521 -17.988 -8.571 1.00 0.00 H new ATOM 0 HA ASP A 21 -22.875 -15.870 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.843 -16.540 -5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.486 -18.012 -6.527 1.00 0.00 H new ATOM 336 N ARG A 22 -21.116 -15.179 -9.427 1.00 0.00 N ATOM 337 CA ARG A 22 -20.504 -14.099 -10.194 1.00 0.00 C ATOM 338 C ARG A 22 -21.555 -13.096 -10.664 1.00 0.00 C ATOM 339 O ARG A 22 -21.254 -11.915 -10.843 1.00 0.00 O ATOM 340 CB ARG A 22 -19.747 -14.662 -11.397 1.00 0.00 C ATOM 341 CG ARG A 22 -18.586 -15.565 -11.017 1.00 0.00 C ATOM 342 CD ARG A 22 -17.405 -14.763 -10.495 1.00 0.00 C ATOM 343 NE ARG A 22 -16.472 -15.592 -9.736 1.00 0.00 N ATOM 344 CZ ARG A 22 -15.439 -15.109 -9.048 1.00 0.00 C ATOM 345 NH1 ARG A 22 -15.204 -13.802 -9.022 1.00 0.00 N ATOM 346 NH2 ARG A 22 -14.640 -15.933 -8.386 1.00 0.00 N ATOM 0 H ARG A 22 -21.190 -16.064 -9.929 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.801 -13.581 -9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.442 -15.222 -12.023 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.371 -13.835 -11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.910 -16.275 -10.256 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.277 -16.147 -11.885 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.881 -14.302 -11.333 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.768 -13.954 -9.862 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.621 -16.601 -9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.816 -13.164 -9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.412 -13.437 -8.494 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.816 -16.938 -8.403 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.849 -15.563 -7.859 1.00 0.00 H new ATOM 360 N LEU A 23 -22.785 -13.559 -10.852 1.00 0.00 N ATOM 361 CA LEU A 23 -23.863 -12.676 -11.288 1.00 0.00 C ATOM 362 C LEU A 23 -24.222 -11.690 -10.183 1.00 0.00 C ATOM 363 O LEU A 23 -24.225 -10.477 -10.392 1.00 0.00 O ATOM 364 CB LEU A 23 -25.105 -13.481 -11.683 1.00 0.00 C ATOM 365 CG LEU A 23 -24.830 -14.822 -12.361 1.00 0.00 C ATOM 366 CD1 LEU A 23 -26.119 -15.415 -12.910 1.00 0.00 C ATOM 367 CD2 LEU A 23 -23.801 -14.662 -13.471 1.00 0.00 C ATOM 0 H LEU A 23 -23.061 -14.531 -10.711 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.512 -12.125 -12.161 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -25.700 -13.661 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.713 -12.873 -12.353 1.00 0.00 H new ATOM 0 HG LEU A 23 -24.425 -15.506 -11.615 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -25.905 -16.370 -13.390 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -26.825 -15.569 -12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.552 -14.731 -13.640 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -23.619 -15.629 -13.941 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -24.176 -13.961 -14.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -22.870 -14.282 -13.052 1.00 0.00 H new ATOM 379 N ALA A 24 -24.519 -12.225 -9.005 1.00 0.00 N ATOM 380 CA ALA A 24 -24.877 -11.404 -7.855 1.00 0.00 C ATOM 381 C ALA A 24 -23.752 -10.441 -7.494 1.00 0.00 C ATOM 382 O ALA A 24 -23.989 -9.392 -6.894 1.00 0.00 O ATOM 383 CB ALA A 24 -25.225 -12.285 -6.664 1.00 0.00 C ATOM 0 H ALA A 24 -24.519 -13.228 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 24 -25.752 -10.812 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -25.490 -11.658 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -26.069 -12.926 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -24.365 -12.903 -6.405 1.00 0.00 H new ATOM 389 N LYS A 25 -22.528 -10.795 -7.873 1.00 0.00 N ATOM 390 CA LYS A 25 -21.372 -9.953 -7.598 1.00 0.00 C ATOM 391 C LYS A 25 -21.296 -8.813 -8.608 1.00 0.00 C ATOM 392 O LYS A 25 -20.818 -7.721 -8.300 1.00 0.00 O ATOM 393 CB LYS A 25 -20.088 -10.783 -7.652 1.00 0.00 C ATOM 394 CG LYS A 25 -18.830 -9.980 -7.366 1.00 0.00 C ATOM 395 CD LYS A 25 -18.144 -9.542 -8.649 1.00 0.00 C ATOM 396 CE LYS A 25 -17.181 -10.603 -9.155 1.00 0.00 C ATOM 397 NZ LYS A 25 -16.692 -10.300 -10.528 1.00 0.00 N ATOM 0 H LYS A 25 -22.312 -11.659 -8.371 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.480 -9.532 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.161 -11.597 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.001 -11.239 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.085 -9.103 -6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.142 -10.580 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.894 -9.336 -9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.603 -8.612 -8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.332 -10.676 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.676 -11.574 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.038 -11.047 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.499 -10.255 -11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.197 -9.386 -10.526 1.00 0.00 H new ATOM 411 N LEU A 26 -21.775 -9.084 -9.817 1.00 0.00 N ATOM 412 CA LEU A 26 -21.776 -8.102 -10.895 1.00 0.00 C ATOM 413 C LEU A 26 -22.940 -7.124 -10.737 1.00 0.00 C ATOM 414 O LEU A 26 -23.788 -7.002 -11.621 1.00 0.00 O ATOM 415 CB LEU A 26 -21.872 -8.818 -12.244 1.00 0.00 C ATOM 416 CG LEU A 26 -20.565 -9.432 -12.749 1.00 0.00 C ATOM 417 CD1 LEU A 26 -20.832 -10.355 -13.928 1.00 0.00 C ATOM 418 CD2 LEU A 26 -19.578 -8.341 -13.138 1.00 0.00 C ATOM 0 H LEU A 26 -22.172 -9.987 -10.077 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.846 -7.536 -10.851 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.620 -9.607 -12.166 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.234 -8.109 -12.989 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.126 -10.020 -11.943 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.892 -10.783 -14.275 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -21.503 -11.156 -13.618 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.293 -9.788 -14.737 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.654 -8.796 -13.495 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.008 -7.726 -13.928 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.364 -7.718 -12.270 1.00 0.00 H new ATOM 592 N PRO A 36 -30.929 -13.750 -19.740 1.00 0.00 N ATOM 593 CA PRO A 36 -29.588 -14.002 -20.264 1.00 0.00 C ATOM 594 C PRO A 36 -29.338 -15.493 -20.449 1.00 0.00 C ATOM 595 O PRO A 36 -29.603 -16.292 -19.552 1.00 0.00 O ATOM 596 CB PRO A 36 -28.685 -13.435 -19.177 1.00 0.00 C ATOM 597 CG PRO A 36 -29.453 -13.636 -17.913 1.00 0.00 C ATOM 598 CD PRO A 36 -30.916 -13.544 -18.278 1.00 0.00 C ATOM 0 HA PRO A 36 -29.423 -13.555 -21.244 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.727 -13.953 -19.146 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.471 -12.380 -19.348 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.224 -14.606 -17.471 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.189 -12.879 -17.175 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.505 -14.302 -17.762 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.336 -12.575 -18.007 1.00 0.00 H new ATOM 606 N HIS A 37 -28.847 -15.862 -21.626 1.00 0.00 N ATOM 607 CA HIS A 37 -28.587 -17.265 -21.933 1.00 0.00 C ATOM 608 C HIS A 37 -27.093 -17.570 -22.011 1.00 0.00 C ATOM 609 O HIS A 37 -26.332 -16.859 -22.667 1.00 0.00 O ATOM 610 CB HIS A 37 -29.263 -17.651 -23.249 1.00 0.00 C ATOM 611 CG HIS A 37 -29.894 -19.009 -23.221 1.00 0.00 C ATOM 612 ND1 HIS A 37 -31.083 -19.301 -23.858 1.00 0.00 N ATOM 613 CD2 HIS A 37 -29.496 -20.160 -22.629 1.00 0.00 C ATOM 614 CE1 HIS A 37 -31.388 -20.570 -23.658 1.00 0.00 C ATOM 615 NE2 HIS A 37 -30.440 -21.114 -22.916 1.00 0.00 N ATOM 0 H HIS A 37 -28.622 -15.214 -22.381 1.00 0.00 H new ATOM 0 HA HIS A 37 -29.003 -17.857 -21.118 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -30.026 -16.910 -23.488 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -28.525 -17.618 -24.051 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -31.640 -18.639 -24.399 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -28.602 -20.301 -22.040 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -32.263 -21.077 -24.037 1.00 0.00 H new ATOM 624 N ILE A 38 -26.694 -18.646 -21.343 1.00 0.00 N ATOM 625 CA ILE A 38 -25.303 -19.083 -21.330 1.00 0.00 C ATOM 626 C ILE A 38 -25.191 -20.505 -21.870 1.00 0.00 C ATOM 627 O ILE A 38 -25.964 -21.385 -21.492 1.00 0.00 O ATOM 628 CB ILE A 38 -24.701 -19.033 -19.911 1.00 0.00 C ATOM 629 CG1 ILE A 38 -25.143 -17.759 -19.183 1.00 0.00 C ATOM 630 CG2 ILE A 38 -23.183 -19.110 -19.977 1.00 0.00 C ATOM 631 CD1 ILE A 38 -24.804 -16.486 -19.928 1.00 0.00 C ATOM 0 H ILE A 38 -27.322 -19.237 -20.798 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.743 -18.398 -21.966 1.00 0.00 H new ATOM 0 HB ILE A 38 -25.067 -19.893 -19.350 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -26.220 -17.799 -19.020 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -24.673 -17.731 -18.200 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.773 -19.074 -18.968 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -22.887 -20.043 -20.456 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.801 -18.268 -20.555 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -25.147 -15.626 -19.353 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -23.725 -16.423 -20.068 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -25.296 -16.492 -20.901 1.00 0.00 H new ATOM 643 N ILE A 39 -24.232 -20.722 -22.767 1.00 0.00 N ATOM 644 CA ILE A 39 -24.033 -22.036 -23.367 1.00 0.00 C ATOM 645 C ILE A 39 -22.608 -22.538 -23.154 1.00 0.00 C ATOM 646 O ILE A 39 -21.646 -21.778 -23.261 1.00 0.00 O ATOM 647 CB ILE A 39 -24.334 -22.010 -24.879 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.690 -21.354 -25.144 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.300 -23.420 -25.453 1.00 0.00 C ATOM 650 CD1 ILE A 39 -25.674 -20.381 -26.303 1.00 0.00 C ATOM 0 H ILE A 39 -23.583 -20.006 -23.093 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.727 -22.715 -22.872 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.564 -21.419 -25.374 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -26.428 -22.131 -25.343 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -26.013 -20.830 -24.245 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.515 -23.383 -26.521 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.312 -23.853 -25.296 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -25.049 -24.034 -24.953 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -26.668 -19.954 -26.433 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -24.960 -19.583 -26.098 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -25.382 -20.904 -27.213 1.00 0.00 H new ATOM 662 N LEU A 40 -22.486 -23.827 -22.854 1.00 0.00 N ATOM 663 CA LEU A 40 -21.192 -24.451 -22.626 1.00 0.00 C ATOM 664 C LEU A 40 -20.921 -25.528 -23.670 1.00 0.00 C ATOM 665 O LEU A 40 -21.742 -26.418 -23.889 1.00 0.00 O ATOM 666 CB LEU A 40 -21.155 -25.063 -21.228 1.00 0.00 C ATOM 667 CG LEU A 40 -20.882 -24.076 -20.091 1.00 0.00 C ATOM 668 CD1 LEU A 40 -19.420 -23.656 -20.086 1.00 0.00 C ATOM 669 CD2 LEU A 40 -21.789 -22.860 -20.207 1.00 0.00 C ATOM 0 H LEU A 40 -23.278 -24.464 -22.763 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.418 -23.688 -22.709 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -22.109 -25.555 -21.039 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.388 -25.837 -21.208 1.00 0.00 H new ATOM 0 HG LEU A 40 -21.098 -24.574 -19.146 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -19.246 -22.954 -19.270 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.790 -24.535 -19.950 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -19.176 -23.178 -21.035 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -21.579 -22.170 -19.389 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -21.608 -22.360 -21.159 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -22.831 -23.177 -20.156 1.00 0.00 H new ATOM 681 N SER A 41 -19.760 -25.440 -24.309 1.00 0.00 N ATOM 682 CA SER A 41 -19.370 -26.406 -25.329 1.00 0.00 C ATOM 683 C SER A 41 -18.028 -27.040 -24.982 1.00 0.00 C ATOM 684 O SER A 41 -17.472 -26.791 -23.912 1.00 0.00 O ATOM 685 CB SER A 41 -19.290 -25.731 -26.700 1.00 0.00 C ATOM 686 OG SER A 41 -20.516 -25.850 -27.401 1.00 0.00 O ATOM 0 H SER A 41 -19.071 -24.708 -24.138 1.00 0.00 H new ATOM 0 HA SER A 41 -20.127 -27.189 -25.365 1.00 0.00 H new ATOM 0 HB2 SER A 41 -19.040 -24.677 -26.576 1.00 0.00 H new ATOM 0 HB3 SER A 41 -18.488 -26.182 -27.285 1.00 0.00 H new ATOM 0 HG SER A 41 -20.439 -25.409 -28.273 1.00 0.00 H new ATOM 692 N LYS A 42 -17.517 -27.867 -25.887 1.00 0.00 N ATOM 693 CA LYS A 42 -16.244 -28.542 -25.666 1.00 0.00 C ATOM 694 C LYS A 42 -15.622 -28.986 -26.982 1.00 0.00 C ATOM 695 O LYS A 42 -16.307 -29.468 -27.884 1.00 0.00 O ATOM 696 CB LYS A 42 -16.438 -29.749 -24.747 1.00 0.00 C ATOM 697 CG LYS A 42 -15.153 -30.505 -24.452 1.00 0.00 C ATOM 698 CD LYS A 42 -15.404 -31.999 -24.320 1.00 0.00 C ATOM 699 CE LYS A 42 -14.399 -32.652 -23.385 1.00 0.00 C ATOM 700 NZ LYS A 42 -13.008 -32.546 -23.904 1.00 0.00 N ATOM 0 H LYS A 42 -17.963 -28.086 -26.778 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.566 -27.834 -25.190 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.875 -29.412 -23.807 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.154 -30.432 -25.205 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.432 -30.325 -25.250 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.710 -30.126 -23.531 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.414 -32.168 -23.946 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.346 -32.467 -25.303 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.457 -32.181 -22.404 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.657 -33.702 -23.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.362 -33.061 -23.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.961 -32.957 -24.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.728 -31.545 -23.944 1.00 0.00 H new ATOM 714 N GLU A 43 -14.311 -28.830 -27.064 1.00 0.00 N ATOM 715 CA GLU A 43 -13.549 -29.215 -28.238 1.00 0.00 C ATOM 716 C GLU A 43 -12.340 -30.037 -27.807 1.00 0.00 C ATOM 717 O GLU A 43 -11.885 -29.920 -26.670 1.00 0.00 O ATOM 718 CB GLU A 43 -13.090 -27.973 -29.003 1.00 0.00 C ATOM 719 CG GLU A 43 -14.234 -27.152 -29.574 1.00 0.00 C ATOM 720 CD GLU A 43 -13.807 -25.752 -29.970 1.00 0.00 C ATOM 721 OE1 GLU A 43 -12.603 -25.552 -30.238 1.00 0.00 O ATOM 722 OE2 GLU A 43 -14.676 -24.856 -30.013 1.00 0.00 O ATOM 0 H GLU A 43 -13.744 -28.431 -26.315 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.181 -29.813 -28.895 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.500 -27.344 -28.337 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.433 -28.280 -29.817 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.643 -27.663 -30.445 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.034 -27.089 -28.837 1.00 0.00 H new ATOM 729 N PRO A 44 -11.796 -30.877 -28.694 1.00 0.00 N ATOM 730 CA PRO A 44 -10.633 -31.703 -28.365 1.00 0.00 C ATOM 731 C PRO A 44 -9.489 -30.888 -27.777 1.00 0.00 C ATOM 732 O PRO A 44 -8.635 -31.411 -27.059 1.00 0.00 O ATOM 733 CB PRO A 44 -10.228 -32.295 -29.712 1.00 0.00 C ATOM 734 CG PRO A 44 -11.484 -32.305 -30.514 1.00 0.00 C ATOM 735 CD PRO A 44 -12.261 -31.095 -30.076 1.00 0.00 C ATOM 0 HA PRO A 44 -10.867 -32.451 -27.607 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.456 -31.694 -30.193 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.824 -33.301 -29.597 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.266 -32.264 -31.581 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.052 -33.219 -30.339 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.055 -30.233 -30.711 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.336 -31.271 -30.116 1.00 0.00 H new ATOM 743 N GLN A 45 -9.476 -29.609 -28.106 1.00 0.00 N ATOM 744 CA GLN A 45 -8.440 -28.701 -27.642 1.00 0.00 C ATOM 745 C GLN A 45 -8.789 -28.037 -26.307 1.00 0.00 C ATOM 746 O GLN A 45 -7.958 -27.338 -25.727 1.00 0.00 O ATOM 747 CB GLN A 45 -8.169 -27.627 -28.696 1.00 0.00 C ATOM 748 CG GLN A 45 -6.711 -27.210 -28.779 1.00 0.00 C ATOM 749 CD GLN A 45 -6.447 -26.229 -29.903 1.00 0.00 C ATOM 750 OE1 GLN A 45 -6.241 -25.038 -29.669 1.00 0.00 O ATOM 751 NE2 GLN A 45 -6.452 -26.726 -31.135 1.00 0.00 N ATOM 0 H GLN A 45 -10.180 -29.171 -28.700 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.544 -29.301 -27.482 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.488 -27.997 -29.670 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.777 -26.750 -28.474 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.411 -26.761 -27.832 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.092 -28.095 -28.922 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.627 -27.720 -31.283 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.281 -26.114 -31.933 1.00 0.00 H new ATOM 760 N GLY A 46 -10.009 -28.248 -25.815 1.00 0.00 N ATOM 761 CA GLY A 46 -10.402 -27.648 -24.551 1.00 0.00 C ATOM 762 C GLY A 46 -11.887 -27.369 -24.486 1.00 0.00 C ATOM 763 O GLY A 46 -12.650 -27.901 -25.283 1.00 0.00 O ATOM 0 H GLY A 46 -10.726 -28.818 -26.264 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.123 -28.313 -23.733 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.853 -26.718 -24.407 1.00 0.00 H new ATOM 767 N PHE A 47 -12.304 -26.538 -23.538 1.00 0.00 N ATOM 768 CA PHE A 47 -13.720 -26.205 -23.392 1.00 0.00 C ATOM 769 C PHE A 47 -14.014 -24.775 -23.811 1.00 0.00 C ATOM 770 O PHE A 47 -13.145 -23.904 -23.783 1.00 0.00 O ATOM 771 CB PHE A 47 -14.166 -26.433 -21.958 1.00 0.00 C ATOM 772 CG PHE A 47 -13.758 -27.776 -21.457 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.459 -27.999 -21.051 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.662 -28.820 -21.420 1.00 0.00 C ATOM 775 CE1 PHE A 47 -12.062 -29.239 -20.610 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.274 -30.069 -20.982 1.00 0.00 C ATOM 777 CZ PHE A 47 -12.969 -30.281 -20.574 1.00 0.00 C ATOM 0 H PHE A 47 -11.689 -26.084 -22.863 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.282 -26.863 -24.055 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.739 -25.661 -21.318 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.250 -26.336 -21.895 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.745 -27.189 -21.080 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.681 -28.657 -21.737 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.042 -29.399 -20.292 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.987 -30.880 -20.958 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.661 -31.257 -20.229 1.00 0.00 H new ATOM 787 N VAL A 48 -15.260 -24.558 -24.213 1.00 0.00 N ATOM 788 CA VAL A 48 -15.711 -23.252 -24.661 1.00 0.00 C ATOM 789 C VAL A 48 -16.975 -22.828 -23.920 1.00 0.00 C ATOM 790 O VAL A 48 -17.870 -23.639 -23.688 1.00 0.00 O ATOM 791 CB VAL A 48 -15.981 -23.269 -26.181 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.648 -21.978 -26.637 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.687 -23.504 -26.946 1.00 0.00 C ATOM 0 H VAL A 48 -15.981 -25.280 -24.237 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.922 -22.532 -24.444 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.666 -24.090 -26.394 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.825 -22.020 -27.712 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.598 -21.856 -26.117 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.999 -21.133 -26.409 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.894 -23.513 -28.016 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.980 -22.705 -26.720 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.259 -24.462 -26.651 1.00 0.00 H new ATOM 803 N ALA A 49 -17.045 -21.552 -23.557 1.00 0.00 N ATOM 804 CA ALA A 49 -18.205 -21.024 -22.849 1.00 0.00 C ATOM 805 C ALA A 49 -18.695 -19.739 -23.506 1.00 0.00 C ATOM 806 O ALA A 49 -17.932 -18.787 -23.663 1.00 0.00 O ATOM 807 CB ALA A 49 -17.865 -20.777 -21.387 1.00 0.00 C ATOM 0 H ALA A 49 -16.314 -20.865 -23.741 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.005 -21.762 -22.900 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.741 -20.383 -20.871 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.561 -21.714 -20.921 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.050 -20.057 -21.320 1.00 0.00 H new ATOM 813 N ASP A 50 -19.966 -19.714 -23.893 1.00 0.00 N ATOM 814 CA ASP A 50 -20.538 -18.536 -24.535 1.00 0.00 C ATOM 815 C ASP A 50 -21.707 -17.987 -23.726 1.00 0.00 C ATOM 816 O ASP A 50 -22.440 -18.743 -23.091 1.00 0.00 O ATOM 817 CB ASP A 50 -21.002 -18.878 -25.951 1.00 0.00 C ATOM 818 CG ASP A 50 -19.842 -19.108 -26.901 1.00 0.00 C ATOM 819 OD1 ASP A 50 -19.005 -19.989 -26.613 1.00 0.00 O ATOM 820 OD2 ASP A 50 -19.770 -18.407 -27.932 1.00 0.00 O ATOM 0 H ASP A 50 -20.616 -20.491 -23.774 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.764 -17.770 -24.586 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.625 -19.772 -25.920 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.625 -18.068 -26.332 1.00 0.00 H new ATOM 825 N ALA A 51 -21.879 -16.671 -23.754 1.00 0.00 N ATOM 826 CA ALA A 51 -22.968 -16.038 -23.022 1.00 0.00 C ATOM 827 C ALA A 51 -23.527 -14.843 -23.782 1.00 0.00 C ATOM 828 O ALA A 51 -22.779 -14.074 -24.388 1.00 0.00 O ATOM 829 CB ALA A 51 -22.499 -15.610 -21.640 1.00 0.00 C ATOM 0 H ALA A 51 -21.283 -16.026 -24.272 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.767 -16.771 -22.914 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.324 -15.139 -21.106 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.159 -16.484 -21.084 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.678 -14.900 -21.738 1.00 0.00 H new ATOM 835 N THR A 52 -24.844 -14.683 -23.741 1.00 0.00 N ATOM 836 CA THR A 52 -25.496 -13.571 -24.419 1.00 0.00 C ATOM 837 C THR A 52 -26.559 -12.955 -23.519 1.00 0.00 C ATOM 838 O THR A 52 -27.380 -13.669 -22.941 1.00 0.00 O ATOM 839 CB THR A 52 -26.127 -14.039 -25.732 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.280 -14.963 -26.393 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.411 -12.907 -26.695 1.00 0.00 C ATOM 0 H THR A 52 -25.480 -15.308 -23.246 1.00 0.00 H new ATOM 0 HA THR A 52 -24.743 -12.816 -24.644 1.00 0.00 H new ATOM 0 HB THR A 52 -27.073 -14.501 -25.450 1.00 0.00 H new ATOM 0 HG1 THR A 52 -25.701 -15.252 -27.229 1.00 0.00 H new ATOM 0 HG21 THR A 52 -26.858 -13.307 -27.605 1.00 0.00 H new ATOM 0 HG22 THR A 52 -27.100 -12.200 -26.233 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.480 -12.397 -26.942 1.00 0.00 H new ATOM 849 N ILE A 53 -26.542 -11.635 -23.390 1.00 0.00 N ATOM 850 CA ILE A 53 -27.508 -10.944 -22.547 1.00 0.00 C ATOM 851 C ILE A 53 -28.123 -9.754 -23.273 1.00 0.00 C ATOM 852 O ILE A 53 -27.420 -8.973 -23.913 1.00 0.00 O ATOM 853 CB ILE A 53 -26.856 -10.461 -21.236 1.00 0.00 C ATOM 854 CG1 ILE A 53 -26.029 -11.587 -20.611 1.00 0.00 C ATOM 855 CG2 ILE A 53 -27.919 -9.970 -20.265 1.00 0.00 C ATOM 856 CD1 ILE A 53 -25.032 -11.108 -19.578 1.00 0.00 C ATOM 0 H ILE A 53 -25.872 -11.023 -23.857 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.296 -11.659 -22.310 1.00 0.00 H new ATOM 0 HB ILE A 53 -26.189 -9.628 -21.461 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -26.703 -12.306 -20.146 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.495 -12.115 -21.401 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.443 -9.632 -19.344 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.468 -9.142 -20.714 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.609 -10.783 -20.039 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -24.483 -11.961 -19.179 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -24.333 -10.412 -20.042 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -25.561 -10.606 -18.768 1.00 0.00 H new ATOM 868 N ASN A 54 -29.440 -9.613 -23.158 1.00 0.00 N ATOM 869 CA ASN A 54 -30.156 -8.511 -23.790 1.00 0.00 C ATOM 870 C ASN A 54 -30.538 -7.456 -22.758 1.00 0.00 C ATOM 871 O ASN A 54 -31.248 -7.743 -21.796 1.00 0.00 O ATOM 872 CB ASN A 54 -31.413 -9.025 -24.495 1.00 0.00 C ATOM 873 CG ASN A 54 -31.090 -9.823 -25.744 1.00 0.00 C ATOM 874 OD1 ASN A 54 -30.515 -10.908 -25.670 1.00 0.00 O ATOM 875 ND2 ASN A 54 -31.462 -9.286 -26.901 1.00 0.00 N ATOM 0 H ASN A 54 -30.035 -10.252 -22.630 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.495 -8.057 -24.528 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -31.983 -9.648 -23.806 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -32.048 -8.180 -24.761 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -31.273 -9.776 -27.775 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -31.937 -8.383 -26.915 1.00 0.00 H new ATOM 882 N THR A 55 -30.064 -6.233 -22.971 1.00 0.00 N ATOM 883 CA THR A 55 -30.358 -5.131 -22.063 1.00 0.00 C ATOM 884 C THR A 55 -31.167 -4.050 -22.774 1.00 0.00 C ATOM 885 O THR A 55 -31.105 -3.924 -23.997 1.00 0.00 O ATOM 886 CB THR A 55 -29.063 -4.534 -21.507 1.00 0.00 C ATOM 887 OG1 THR A 55 -28.456 -3.679 -22.460 1.00 0.00 O ATOM 888 CG2 THR A 55 -28.041 -5.580 -21.113 1.00 0.00 C ATOM 0 H THR A 55 -29.475 -5.980 -23.764 1.00 0.00 H new ATOM 0 HA THR A 55 -30.949 -5.522 -21.235 1.00 0.00 H new ATOM 0 HB THR A 55 -29.359 -3.984 -20.614 1.00 0.00 H new ATOM 0 HG1 THR A 55 -27.991 -4.218 -23.134 1.00 0.00 H new ATOM 0 HG21 THR A 55 -27.148 -5.089 -20.727 1.00 0.00 H new ATOM 0 HG22 THR A 55 -28.461 -6.227 -20.343 1.00 0.00 H new ATOM 0 HG23 THR A 55 -27.778 -6.178 -21.985 1.00 0.00 H new ATOM 896 N PRO A 56 -31.941 -3.252 -22.019 1.00 0.00 N ATOM 897 CA PRO A 56 -32.764 -2.182 -22.591 1.00 0.00 C ATOM 898 C PRO A 56 -31.925 -1.074 -23.226 1.00 0.00 C ATOM 899 O PRO A 56 -32.453 -0.215 -23.932 1.00 0.00 O ATOM 900 CB PRO A 56 -33.548 -1.634 -21.389 1.00 0.00 C ATOM 901 CG PRO A 56 -33.407 -2.664 -20.319 1.00 0.00 C ATOM 902 CD PRO A 56 -32.084 -3.329 -20.557 1.00 0.00 C ATOM 0 HA PRO A 56 -33.400 -2.555 -23.394 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -33.148 -0.673 -21.064 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -34.596 -1.473 -21.644 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -33.441 -2.207 -19.330 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -34.221 -3.387 -20.364 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -31.273 -2.813 -20.043 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -32.080 -4.360 -20.204 1.00 0.00 H new ATOM 910 N ASN A 57 -30.619 -1.092 -22.968 1.00 0.00 N ATOM 911 CA ASN A 57 -29.719 -0.081 -23.514 1.00 0.00 C ATOM 912 C ASN A 57 -28.753 -0.677 -24.539 1.00 0.00 C ATOM 913 O ASN A 57 -27.975 0.048 -25.158 1.00 0.00 O ATOM 914 CB ASN A 57 -28.932 0.589 -22.387 1.00 0.00 C ATOM 915 CG ASN A 57 -29.810 1.443 -21.495 1.00 0.00 C ATOM 916 OD1 ASN A 57 -29.806 2.671 -21.592 1.00 0.00 O ATOM 917 ND2 ASN A 57 -30.570 0.797 -20.619 1.00 0.00 N ATOM 0 H ASN A 57 -30.162 -1.794 -22.386 1.00 0.00 H new ATOM 0 HA ASN A 57 -30.331 0.663 -24.023 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -28.443 -0.177 -21.785 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -28.144 1.208 -22.816 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -31.182 1.319 -19.992 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -30.542 -0.222 -20.573 1.00 0.00 H new ATOM 924 N GLY A 58 -28.802 -1.995 -24.717 1.00 0.00 N ATOM 925 CA GLY A 58 -27.918 -2.641 -25.672 1.00 0.00 C ATOM 926 C GLY A 58 -27.801 -4.137 -25.447 1.00 0.00 C ATOM 927 O GLY A 58 -28.585 -4.725 -24.704 1.00 0.00 O ATOM 0 H GLY A 58 -29.434 -2.623 -24.221 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -28.285 -2.458 -26.682 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -26.928 -2.190 -25.606 1.00 0.00 H new ATOM 931 N VAL A 59 -26.817 -4.750 -26.098 1.00 0.00 N ATOM 932 CA VAL A 59 -26.592 -6.186 -25.971 1.00 0.00 C ATOM 933 C VAL A 59 -25.130 -6.488 -25.656 1.00 0.00 C ATOM 934 O VAL A 59 -24.224 -5.855 -26.198 1.00 0.00 O ATOM 935 CB VAL A 59 -26.993 -6.932 -27.260 1.00 0.00 C ATOM 936 CG1 VAL A 59 -26.888 -8.438 -27.065 1.00 0.00 C ATOM 937 CG2 VAL A 59 -28.399 -6.537 -27.688 1.00 0.00 C ATOM 0 H VAL A 59 -26.162 -4.274 -26.719 1.00 0.00 H new ATOM 0 HA VAL A 59 -27.217 -6.534 -25.148 1.00 0.00 H new ATOM 0 HB VAL A 59 -26.302 -6.646 -28.053 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -27.175 -8.945 -27.986 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -25.861 -8.701 -26.811 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -27.552 -8.748 -26.258 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -28.666 -7.073 -28.599 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -29.105 -6.791 -26.897 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -28.435 -5.464 -27.874 1.00 0.00 H new ATOM 947 N LEU A 60 -24.909 -7.461 -24.778 1.00 0.00 N ATOM 948 CA LEU A 60 -23.557 -7.851 -24.388 1.00 0.00 C ATOM 949 C LEU A 60 -23.282 -9.304 -24.764 1.00 0.00 C ATOM 950 O LEU A 60 -24.164 -10.158 -24.666 1.00 0.00 O ATOM 951 CB LEU A 60 -23.361 -7.655 -22.883 1.00 0.00 C ATOM 952 CG LEU A 60 -22.846 -6.275 -22.470 1.00 0.00 C ATOM 953 CD1 LEU A 60 -21.402 -6.093 -22.907 1.00 0.00 C ATOM 954 CD2 LEU A 60 -23.724 -5.180 -23.057 1.00 0.00 C ATOM 0 H LEU A 60 -25.649 -7.995 -24.322 1.00 0.00 H new ATOM 0 HA LEU A 60 -22.852 -7.215 -24.924 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -24.312 -7.836 -22.382 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.662 -8.410 -22.522 1.00 0.00 H new ATOM 0 HG LEU A 60 -22.888 -6.203 -21.383 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -21.052 -5.106 -22.605 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.781 -6.857 -22.439 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -21.336 -6.186 -23.991 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -23.342 -4.205 -22.753 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -23.714 -5.250 -24.145 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -24.745 -5.299 -22.695 1.00 0.00 H new ATOM 966 N VAL A 61 -22.054 -9.578 -25.196 1.00 0.00 N ATOM 967 CA VAL A 61 -21.667 -10.928 -25.587 1.00 0.00 C ATOM 968 C VAL A 61 -20.248 -11.244 -25.124 1.00 0.00 C ATOM 969 O VAL A 61 -19.394 -10.363 -25.076 1.00 0.00 O ATOM 970 CB VAL A 61 -21.759 -11.120 -27.113 1.00 0.00 C ATOM 971 CG1 VAL A 61 -20.814 -10.170 -27.834 1.00 0.00 C ATOM 972 CG2 VAL A 61 -21.467 -12.565 -27.491 1.00 0.00 C ATOM 0 H VAL A 61 -21.312 -8.884 -25.284 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.364 -11.613 -25.104 1.00 0.00 H new ATOM 0 HB VAL A 61 -22.777 -10.886 -27.426 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.895 -10.323 -28.910 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -21.079 -9.141 -27.593 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.790 -10.365 -27.516 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.537 -12.679 -28.573 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.462 -12.831 -27.162 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -22.192 -13.221 -27.009 1.00 0.00 H new ATOM 982 N ALA A 62 -20.005 -12.503 -24.780 1.00 0.00 N ATOM 983 CA ALA A 62 -18.686 -12.924 -24.317 1.00 0.00 C ATOM 984 C ALA A 62 -18.459 -14.414 -24.542 1.00 0.00 C ATOM 985 O ALA A 62 -19.401 -15.204 -24.585 1.00 0.00 O ATOM 986 CB ALA A 62 -18.504 -12.573 -22.848 1.00 0.00 C ATOM 0 H ALA A 62 -20.700 -13.249 -24.812 1.00 0.00 H new ATOM 0 HA ALA A 62 -17.942 -12.386 -24.904 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.516 -12.893 -22.517 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.599 -11.495 -22.717 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.266 -13.079 -22.256 1.00 0.00 H new ATOM 992 N SER A 63 -17.189 -14.780 -24.698 1.00 0.00 N ATOM 993 CA SER A 63 -16.813 -16.171 -24.936 1.00 0.00 C ATOM 994 C SER A 63 -15.507 -16.531 -24.233 1.00 0.00 C ATOM 995 O SER A 63 -14.716 -15.657 -23.877 1.00 0.00 O ATOM 996 CB SER A 63 -16.680 -16.432 -26.438 1.00 0.00 C ATOM 997 OG SER A 63 -17.913 -16.218 -27.103 1.00 0.00 O ATOM 0 H SER A 63 -16.402 -14.132 -24.664 1.00 0.00 H new ATOM 0 HA SER A 63 -17.602 -16.800 -24.524 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.918 -15.776 -26.858 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.346 -17.456 -26.604 1.00 0.00 H new ATOM 0 HG SER A 63 -18.293 -17.080 -27.373 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.289 -17.829 -24.046 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.080 -18.309 -23.398 1.00 0.00 C ATOM 1005 C GLY A 64 -13.751 -19.732 -23.814 1.00 0.00 C ATOM 1006 O GLY A 64 -14.418 -20.676 -23.394 1.00 0.00 O ATOM 0 H GLY A 64 -15.935 -18.564 -24.335 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.246 -17.654 -23.650 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.204 -18.265 -22.316 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.735 -19.881 -24.658 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.334 -21.197 -25.155 1.00 0.00 C ATOM 1012 C LYS A 65 -11.019 -21.666 -24.541 1.00 0.00 C ATOM 1013 O LYS A 65 -10.154 -22.198 -25.238 1.00 0.00 O ATOM 1014 CB LYS A 65 -12.209 -21.167 -26.680 1.00 0.00 C ATOM 1015 CG LYS A 65 -13.356 -20.450 -27.375 1.00 0.00 C ATOM 1016 CD LYS A 65 -12.911 -19.840 -28.695 1.00 0.00 C ATOM 1017 CE LYS A 65 -12.561 -18.369 -28.540 1.00 0.00 C ATOM 1018 NZ LYS A 65 -11.103 -18.165 -28.320 1.00 0.00 N ATOM 0 H LYS A 65 -12.173 -19.108 -25.014 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.109 -21.905 -24.861 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.272 -20.680 -26.949 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.154 -22.190 -27.051 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.171 -21.152 -27.553 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.746 -19.667 -26.724 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.045 -20.383 -29.074 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.705 -19.950 -29.434 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.873 -17.826 -29.432 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.117 -17.950 -27.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.956 -17.634 -27.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.630 -19.089 -28.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.703 -17.630 -29.117 1.00 0.00 H new ATOM 1032 N HIS A 66 -10.880 -21.494 -23.233 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.675 -21.934 -22.538 1.00 0.00 C ATOM 1034 C HIS A 66 -9.684 -23.448 -22.365 1.00 0.00 C ATOM 1035 O HIS A 66 -10.745 -24.075 -22.372 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.546 -21.252 -21.175 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.151 -21.288 -20.629 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -7.789 -22.043 -19.533 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.023 -20.666 -21.043 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.499 -21.885 -19.299 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.010 -21.054 -20.200 1.00 0.00 N ATOM 0 H HIS A 66 -11.580 -21.056 -22.635 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.815 -21.651 -23.146 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.869 -20.215 -21.263 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.219 -21.737 -20.468 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.935 -19.990 -21.881 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.939 -22.356 -18.505 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.038 -20.749 -20.261 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.505 -24.036 -22.209 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.386 -25.480 -22.035 1.00 0.00 C ATOM 1052 C GLU A 67 -9.140 -25.951 -20.791 1.00 0.00 C ATOM 1053 O GLU A 67 -9.577 -27.099 -20.719 1.00 0.00 O ATOM 1054 CB GLU A 67 -6.906 -25.870 -21.937 1.00 0.00 C ATOM 1055 CG GLU A 67 -6.668 -27.285 -21.428 1.00 0.00 C ATOM 1056 CD GLU A 67 -5.639 -28.035 -22.250 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -4.456 -27.635 -22.231 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -6.016 -29.024 -22.913 1.00 0.00 O ATOM 0 H GLU A 67 -7.616 -23.536 -22.199 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.832 -25.968 -22.902 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.449 -25.768 -22.921 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.399 -25.167 -21.275 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.338 -27.243 -20.390 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.609 -27.835 -21.441 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.278 -25.065 -19.810 1.00 0.00 N ATOM 1066 CA ASP A 68 -9.968 -25.404 -18.570 1.00 0.00 C ATOM 1067 C ASP A 68 -11.414 -24.914 -18.583 1.00 0.00 C ATOM 1068 O ASP A 68 -11.676 -23.718 -18.712 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.229 -24.808 -17.372 1.00 0.00 C ATOM 1070 CG ASP A 68 -9.588 -25.498 -16.070 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -8.974 -26.541 -15.761 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -10.484 -24.995 -15.359 1.00 0.00 O ATOM 0 H ASP A 68 -8.923 -24.110 -19.849 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.979 -26.491 -18.484 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.154 -24.885 -17.537 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.464 -23.747 -17.295 1.00 0.00 H new ATOM 1077 N MET A 69 -12.347 -25.853 -18.444 1.00 0.00 N ATOM 1078 CA MET A 69 -13.773 -25.538 -18.433 1.00 0.00 C ATOM 1079 C MET A 69 -14.085 -24.378 -17.490 1.00 0.00 C ATOM 1080 O MET A 69 -14.820 -23.456 -17.843 1.00 0.00 O ATOM 1081 CB MET A 69 -14.579 -26.769 -18.017 1.00 0.00 C ATOM 1082 CG MET A 69 -16.083 -26.555 -18.060 1.00 0.00 C ATOM 1083 SD MET A 69 -16.998 -27.882 -17.253 1.00 0.00 S ATOM 1084 CE MET A 69 -18.498 -27.023 -16.785 1.00 0.00 C ATOM 0 H MET A 69 -12.138 -26.846 -18.337 1.00 0.00 H new ATOM 0 HA MET A 69 -14.054 -25.239 -19.443 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.320 -27.601 -18.672 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.290 -27.057 -17.006 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.325 -25.607 -17.579 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.405 -26.476 -19.098 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.318 -27.737 -16.710 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.352 -26.535 -15.821 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.738 -26.273 -17.539 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.530 -24.440 -16.283 1.00 0.00 N ATOM 1095 CA TYR A 70 -13.756 -23.404 -15.281 1.00 0.00 C ATOM 1096 C TYR A 70 -13.138 -22.076 -15.708 1.00 0.00 C ATOM 1097 O TYR A 70 -13.735 -21.017 -15.524 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.180 -23.837 -13.932 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.064 -24.807 -13.179 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -15.146 -24.356 -12.434 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -13.816 -26.174 -13.214 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -15.956 -25.238 -11.746 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -14.621 -27.063 -12.529 1.00 0.00 C ATOM 1104 CZ TYR A 70 -15.690 -26.590 -11.796 1.00 0.00 C ATOM 1105 OH TYR A 70 -16.494 -27.472 -11.111 1.00 0.00 O ATOM 0 H TYR A 70 -12.920 -25.197 -15.975 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.832 -23.263 -15.184 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.205 -24.297 -14.093 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.017 -22.953 -13.315 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.357 -23.298 -12.392 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.980 -26.547 -13.786 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -16.794 -24.871 -11.172 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -14.415 -28.122 -12.567 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.171 -28.386 -11.252 1.00 0.00 H new ATOM 1115 N THR A 71 -11.940 -22.139 -16.280 1.00 0.00 N ATOM 1116 CA THR A 71 -11.251 -20.937 -16.730 1.00 0.00 C ATOM 1117 C THR A 71 -12.014 -20.272 -17.870 1.00 0.00 C ATOM 1118 O THR A 71 -12.100 -19.046 -17.938 1.00 0.00 O ATOM 1119 CB THR A 71 -9.829 -21.274 -17.178 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.106 -21.896 -16.131 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.038 -20.064 -17.625 1.00 0.00 C ATOM 0 H THR A 71 -11.429 -23.006 -16.442 1.00 0.00 H new ATOM 0 HA THR A 71 -11.202 -20.240 -15.893 1.00 0.00 H new ATOM 0 HB THR A 71 -9.948 -21.945 -18.029 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.240 -22.205 -16.470 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.039 -20.375 -17.929 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.543 -19.590 -18.467 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.962 -19.354 -16.801 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.571 -21.086 -18.759 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.334 -20.572 -19.890 1.00 0.00 C ATOM 1131 C ALA A 72 -14.555 -19.795 -19.411 1.00 0.00 C ATOM 1132 O ALA A 72 -14.781 -18.660 -19.831 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.745 -21.707 -20.818 1.00 0.00 C ATOM 0 H ALA A 72 -12.509 -22.103 -18.719 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.697 -19.887 -20.449 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.314 -21.304 -21.656 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.854 -22.211 -21.193 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.362 -22.419 -20.270 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.338 -20.402 -18.525 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.525 -19.744 -17.995 1.00 0.00 C ATOM 1141 C ILE A 73 -16.137 -18.472 -17.246 1.00 0.00 C ATOM 1142 O ILE A 73 -16.769 -17.426 -17.409 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.319 -20.677 -17.057 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -17.810 -21.907 -17.822 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.488 -19.936 -16.426 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -17.694 -23.194 -17.034 1.00 0.00 C ATOM 0 H ILE A 73 -15.173 -21.341 -18.162 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.163 -19.487 -18.841 1.00 0.00 H new ATOM 0 HB ILE A 73 -16.656 -21.009 -16.258 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -18.852 -21.757 -18.106 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.239 -22.003 -18.745 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.035 -20.612 -15.768 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.114 -19.091 -15.848 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.154 -19.574 -17.209 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.060 -24.024 -17.638 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -16.650 -23.368 -16.773 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.288 -23.118 -16.123 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.088 -18.565 -16.438 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.610 -17.418 -15.679 1.00 0.00 C ATOM 1160 C ASN A 74 -14.125 -16.324 -16.625 1.00 0.00 C ATOM 1161 O ASN A 74 -14.376 -15.139 -16.403 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.480 -17.837 -14.733 1.00 0.00 C ATOM 1163 CG ASN A 74 -13.871 -17.703 -13.274 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -14.830 -17.010 -12.937 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -13.124 -18.365 -12.397 1.00 0.00 N ATOM 0 H ASN A 74 -14.554 -19.421 -16.292 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.436 -17.027 -15.084 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.202 -18.871 -14.939 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.600 -17.225 -14.929 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.337 -18.310 -11.401 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.337 -18.928 -12.720 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.442 -16.733 -17.690 1.00 0.00 N ATOM 1173 CA GLU A 75 -12.933 -15.791 -18.681 1.00 0.00 C ATOM 1174 C GLU A 75 -14.088 -15.115 -19.414 1.00 0.00 C ATOM 1175 O GLU A 75 -14.068 -13.903 -19.630 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.015 -16.502 -19.678 1.00 0.00 C ATOM 1177 CG GLU A 75 -10.545 -16.444 -19.297 1.00 0.00 C ATOM 1178 CD GLU A 75 -9.742 -15.530 -20.203 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -9.800 -15.719 -21.436 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -9.057 -14.627 -19.680 1.00 0.00 O ATOM 0 H GLU A 75 -13.228 -17.710 -17.889 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.354 -15.027 -18.163 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.320 -17.545 -19.760 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.145 -16.053 -20.663 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.454 -16.099 -18.267 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.124 -17.449 -19.335 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.104 -15.895 -19.777 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.268 -15.349 -20.464 1.00 0.00 C ATOM 1189 C LEU A 76 -16.824 -14.165 -19.681 1.00 0.00 C ATOM 1190 O LEU A 76 -16.831 -13.037 -20.173 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.339 -16.431 -20.651 1.00 0.00 C ATOM 1192 CG LEU A 76 -18.760 -15.914 -20.910 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.352 -16.570 -22.144 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -19.647 -16.159 -19.699 1.00 0.00 C ATOM 0 H LEU A 76 -15.144 -16.900 -19.608 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.965 -15.002 -21.452 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.045 -17.069 -21.485 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.356 -17.059 -19.760 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.706 -14.840 -21.086 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.360 -16.190 -22.310 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.731 -16.343 -23.010 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.391 -17.650 -21.999 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.651 -15.786 -19.902 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -19.693 -17.228 -19.492 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.234 -15.639 -18.834 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.265 -14.414 -18.452 1.00 0.00 N ATOM 1207 CA ILE A 77 -17.789 -13.343 -17.614 1.00 0.00 C ATOM 1208 C ILE A 77 -16.756 -12.227 -17.492 1.00 0.00 C ATOM 1209 O ILE A 77 -17.109 -11.053 -17.373 1.00 0.00 O ATOM 1210 CB ILE A 77 -18.184 -13.843 -16.210 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -19.149 -15.027 -16.318 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -18.810 -12.716 -15.401 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -19.581 -15.578 -14.977 1.00 0.00 C ATOM 0 H ILE A 77 -17.270 -15.337 -18.019 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.691 -12.964 -18.094 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.284 -14.177 -15.695 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -20.032 -14.716 -16.876 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.673 -15.822 -16.892 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.083 -13.086 -14.413 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.094 -11.901 -15.298 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.702 -12.353 -15.912 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -20.263 -16.414 -15.130 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.706 -15.920 -14.425 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -20.086 -14.797 -14.408 1.00 0.00 H new ATOM 1225 N ASN A 78 -15.479 -12.594 -17.558 1.00 0.00 N ATOM 1226 CA ASN A 78 -14.405 -11.634 -17.495 1.00 0.00 C ATOM 1227 C ASN A 78 -14.525 -10.628 -18.640 1.00 0.00 C ATOM 1228 O ASN A 78 -14.128 -9.471 -18.516 1.00 0.00 O ATOM 1229 CB ASN A 78 -13.084 -12.382 -17.576 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.024 -11.784 -16.688 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -11.391 -10.785 -17.029 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -11.828 -12.403 -15.538 1.00 0.00 N ATOM 0 H ASN A 78 -15.171 -13.561 -17.656 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.456 -11.080 -16.558 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.243 -13.423 -17.296 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.732 -12.380 -18.608 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.125 -12.056 -14.885 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.380 -13.228 -15.302 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.098 -11.091 -19.752 1.00 0.00 N ATOM 1240 CA LYS A 79 -15.306 -10.255 -20.933 1.00 0.00 C ATOM 1241 C LYS A 79 -16.627 -9.509 -20.827 1.00 0.00 C ATOM 1242 O LYS A 79 -16.757 -8.403 -21.351 1.00 0.00 O ATOM 1243 CB LYS A 79 -15.271 -11.092 -22.212 1.00 0.00 C ATOM 1244 CG LYS A 79 -13.869 -11.421 -22.693 1.00 0.00 C ATOM 1245 CD LYS A 79 -13.527 -12.887 -22.470 1.00 0.00 C ATOM 1246 CE LYS A 79 -12.106 -13.057 -21.955 1.00 0.00 C ATOM 1247 NZ LYS A 79 -11.821 -12.166 -20.795 1.00 0.00 N ATOM 0 H LYS A 79 -15.429 -12.050 -19.858 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.494 -9.529 -20.980 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.814 -12.022 -22.041 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.799 -10.555 -23.000 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.783 -11.185 -23.754 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.148 -10.795 -22.168 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.228 -13.320 -21.756 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.644 -13.435 -23.405 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.949 -14.095 -21.662 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.401 -12.842 -22.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.195 -11.392 -21.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.712 -11.770 -20.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.356 -12.713 -20.043 1.00 0.00 H new ATOM 1261 N LEU A 80 -17.592 -10.079 -20.119 1.00 0.00 N ATOM 1262 CA LEU A 80 -18.866 -9.401 -19.933 1.00 0.00 C ATOM 1263 C LEU A 80 -18.615 -8.121 -19.145 1.00 0.00 C ATOM 1264 O LEU A 80 -19.017 -7.030 -19.548 1.00 0.00 O ATOM 1265 CB LEU A 80 -19.859 -10.302 -19.195 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.254 -11.577 -19.940 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -21.182 -12.429 -19.087 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -20.912 -11.235 -21.268 1.00 0.00 C ATOM 0 H LEU A 80 -17.520 -10.993 -19.671 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.302 -9.162 -20.903 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.428 -10.580 -18.233 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -20.761 -9.727 -18.986 1.00 0.00 H new ATOM 0 HG LEU A 80 -19.350 -12.152 -20.142 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.452 -13.332 -19.634 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.676 -12.703 -18.161 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.084 -11.863 -18.853 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -21.187 -12.154 -21.785 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -21.806 -10.639 -21.088 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.215 -10.667 -21.884 1.00 0.00 H new ATOM 1280 N GLU A 81 -17.902 -8.278 -18.035 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.525 -7.168 -17.178 1.00 0.00 C ATOM 1282 C GLU A 81 -16.680 -6.153 -17.937 1.00 0.00 C ATOM 1283 O GLU A 81 -16.958 -4.954 -17.910 1.00 0.00 O ATOM 1284 CB GLU A 81 -16.740 -7.701 -15.988 1.00 0.00 C ATOM 1285 CG GLU A 81 -16.935 -6.894 -14.718 1.00 0.00 C ATOM 1286 CD GLU A 81 -16.088 -7.400 -13.567 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -14.922 -7.779 -13.810 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -16.589 -7.417 -12.424 1.00 0.00 O ATOM 0 H GLU A 81 -17.569 -9.184 -17.706 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.431 -6.667 -16.836 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.037 -8.733 -15.801 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.680 -7.715 -16.240 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.688 -5.851 -14.914 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -17.986 -6.924 -14.431 1.00 0.00 H new ATOM 1295 N ARG A 82 -15.640 -6.638 -18.603 1.00 0.00 N ATOM 1296 CA ARG A 82 -14.746 -5.768 -19.357 1.00 0.00 C ATOM 1297 C ARG A 82 -15.495 -5.065 -20.487 1.00 0.00 C ATOM 1298 O ARG A 82 -15.176 -3.931 -20.844 1.00 0.00 O ATOM 1299 CB ARG A 82 -13.550 -6.576 -19.891 1.00 0.00 C ATOM 1300 CG ARG A 82 -13.496 -6.729 -21.406 1.00 0.00 C ATOM 1301 CD ARG A 82 -12.069 -6.925 -21.892 1.00 0.00 C ATOM 1302 NE ARG A 82 -11.294 -5.687 -21.820 1.00 0.00 N ATOM 1303 CZ ARG A 82 -9.964 -5.642 -21.842 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -9.257 -6.761 -21.937 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -9.341 -4.473 -21.769 1.00 0.00 N ATOM 0 H ARG A 82 -15.395 -7.628 -18.637 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.364 -4.994 -18.691 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.630 -6.097 -19.557 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.573 -7.569 -19.442 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.106 -7.580 -21.709 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.925 -5.845 -21.878 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.583 -7.693 -21.291 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.082 -7.286 -22.920 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.803 -4.806 -21.749 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.733 -7.662 -21.994 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.238 -6.721 -21.953 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.881 -3.611 -21.696 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.322 -4.436 -21.786 1.00 0.00 H new ATOM 1319 N GLN A 83 -16.490 -5.743 -21.047 1.00 0.00 N ATOM 1320 CA GLN A 83 -17.277 -5.172 -22.134 1.00 0.00 C ATOM 1321 C GLN A 83 -18.229 -4.107 -21.605 1.00 0.00 C ATOM 1322 O GLN A 83 -18.380 -3.041 -22.204 1.00 0.00 O ATOM 1323 CB GLN A 83 -18.061 -6.266 -22.860 1.00 0.00 C ATOM 1324 CG GLN A 83 -17.281 -6.918 -23.989 1.00 0.00 C ATOM 1325 CD GLN A 83 -18.088 -7.962 -24.735 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -19.321 -7.936 -24.730 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -17.392 -8.891 -25.382 1.00 0.00 N ATOM 0 H GLN A 83 -16.770 -6.683 -20.769 1.00 0.00 H new ATOM 0 HA GLN A 83 -16.592 -4.705 -22.842 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.354 -7.031 -22.141 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -18.980 -5.839 -23.262 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.954 -6.150 -24.689 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -16.382 -7.382 -23.583 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.372 -8.873 -25.358 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.877 -9.622 -25.902 1.00 0.00 H new ATOM 1336 N LEU A 84 -18.862 -4.395 -20.473 1.00 0.00 N ATOM 1337 CA LEU A 84 -19.790 -3.454 -19.859 1.00 0.00 C ATOM 1338 C LEU A 84 -19.050 -2.202 -19.392 1.00 0.00 C ATOM 1339 O LEU A 84 -19.618 -1.110 -19.354 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.506 -4.106 -18.675 1.00 0.00 C ATOM 1341 CG LEU A 84 -21.497 -5.216 -19.040 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -21.275 -6.443 -18.168 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -22.928 -4.718 -18.902 1.00 0.00 C ATOM 0 H LEU A 84 -18.749 -5.271 -19.963 1.00 0.00 H new ATOM 0 HA LEU A 84 -20.531 -3.168 -20.606 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.756 -4.519 -18.000 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -21.040 -3.332 -18.123 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.327 -5.499 -20.079 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.989 -7.219 -18.444 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.261 -6.815 -18.314 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.416 -6.175 -17.121 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -23.619 -5.519 -19.165 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -23.107 -4.407 -17.873 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -23.084 -3.870 -19.569 1.00 0.00 H new ATOM 1355 N ASN A 85 -17.777 -2.371 -19.044 1.00 0.00 N ATOM 1356 CA ASN A 85 -16.949 -1.262 -18.583 1.00 0.00 C ATOM 1357 C ASN A 85 -16.783 -0.223 -19.686 1.00 0.00 C ATOM 1358 O ASN A 85 -16.592 0.962 -19.414 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.578 -1.774 -18.139 1.00 0.00 C ATOM 1360 CG ASN A 85 -15.037 -1.018 -16.942 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -15.347 0.156 -16.742 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -14.222 -1.691 -16.138 1.00 0.00 N ATOM 0 H ASN A 85 -17.296 -3.270 -19.073 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.445 -0.793 -17.733 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.651 -2.833 -17.893 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.875 -1.687 -18.968 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.826 -1.235 -15.316 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.992 -2.663 -16.343 1.00 0.00 H new ATOM 1369 N LYS A 86 -16.852 -0.679 -20.932 1.00 0.00 N ATOM 1370 CA LYS A 86 -16.706 0.207 -22.079 1.00 0.00 C ATOM 1371 C LYS A 86 -17.939 1.095 -22.254 1.00 0.00 C ATOM 1372 O LYS A 86 -17.887 2.110 -22.947 1.00 0.00 O ATOM 1373 CB LYS A 86 -16.466 -0.608 -23.350 1.00 0.00 C ATOM 1374 CG LYS A 86 -15.051 -1.148 -23.468 1.00 0.00 C ATOM 1375 CD LYS A 86 -14.042 -0.030 -23.671 1.00 0.00 C ATOM 1376 CE LYS A 86 -12.786 -0.532 -24.364 1.00 0.00 C ATOM 1377 NZ LYS A 86 -11.581 0.245 -23.963 1.00 0.00 N ATOM 0 H LYS A 86 -17.008 -1.658 -21.173 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.846 0.851 -21.897 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.167 -1.442 -23.375 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.682 0.016 -24.218 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.798 -1.708 -22.568 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.995 -1.846 -24.304 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.493 0.765 -24.265 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.778 0.403 -22.706 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.635 -1.585 -24.124 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.917 -0.467 -25.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.746 -0.129 -24.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.713 1.245 -24.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.441 0.162 -22.936 1.00 0.00 H new