USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=14 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 78 ASN : amide:sc= -2.04 K(o=-2.3,f=-3!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -145:sc= -0.281 (180deg=-0.423) USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.885 K(o=-2.3,f=-6.8!) USER MOD Set 2.2: A 74 ASN : amide:sc= -1.37 K(o=-2.3,f=-9!) USER MOD Set 3.1: A 9 MET CE :methyl 152:sc= 0 (180deg=-0.0834) USER MOD Set 3.2: A 69 MET CE :methyl 165:sc= 0 (180deg=-0.238) USER MOD Set 4.1: A 5 THR OG1 : rot -123:sc= 0.451 USER MOD Set 4.2: A 37 HIS : no HE2:sc= 0.36 K(o=0.81,f=-0.055) USER MOD Single : A 2 MET CE :methyl 137:sc= -0.377 (180deg=-2.17!) USER MOD Single : A 3 ASN : amide:sc= -0.382 K(o=-0.38,f=-4.1!) USER MOD Single : A 6 SER OG : rot -50:sc= -0.999 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.547 K(o=-0.55,f=-2.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.48) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.4!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00249 X(o=-0.0025,f=0) USER MOD Single : A 55 THR OG1 : rot -17:sc= 0.694 USER MOD Single : A 57 ASN : amide:sc=-0.00489 K(o=-0.0049,f=-2.3) USER MOD Single : A 63 SER OG : rot 180:sc= -0.689 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-4.4!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.82 USER MOD Single : A 83 GLN : amide:sc= -2.87 X(o=-2.9,f=-2.9!) USER MOD Single : A 85 ASN : amide:sc= -0.026 K(o=-0.026,f=-0.89) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= -0.01 (180deg=-0.01) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -30.769 -16.281 -14.714 1.00 0.00 N ATOM 18 CA MET A 2 -29.636 -16.776 -15.486 1.00 0.00 C ATOM 19 C MET A 2 -29.933 -18.155 -16.066 1.00 0.00 C ATOM 20 O MET A 2 -30.479 -19.023 -15.384 1.00 0.00 O ATOM 21 CB MET A 2 -28.381 -16.831 -14.612 1.00 0.00 C ATOM 22 CG MET A 2 -28.507 -17.769 -13.423 1.00 0.00 C ATOM 23 SD MET A 2 -28.889 -16.901 -11.889 1.00 0.00 S ATOM 24 CE MET A 2 -28.343 -18.099 -10.675 1.00 0.00 C ATOM 0 HA MET A 2 -29.462 -16.087 -16.313 1.00 0.00 H new ATOM 0 HB2 MET A 2 -27.536 -17.146 -15.224 1.00 0.00 H new ATOM 0 HB3 MET A 2 -28.156 -15.828 -14.250 1.00 0.00 H new ATOM 0 HG2 MET A 2 -29.288 -18.502 -13.625 1.00 0.00 H new ATOM 0 HG3 MET A 2 -27.575 -18.321 -13.301 1.00 0.00 H new ATOM 0 HE1 MET A 2 -27.800 -17.589 -9.880 1.00 0.00 H new ATOM 0 HE2 MET A 2 -29.209 -18.610 -10.253 1.00 0.00 H new ATOM 0 HE3 MET A 2 -27.688 -18.828 -11.152 1.00 0.00 H new ATOM 34 N ASN A 3 -29.580 -18.346 -17.332 1.00 0.00 N ATOM 35 CA ASN A 3 -29.819 -19.618 -18.007 1.00 0.00 C ATOM 36 C ASN A 3 -28.520 -20.224 -18.530 1.00 0.00 C ATOM 37 O ASN A 3 -27.841 -19.635 -19.371 1.00 0.00 O ATOM 38 CB ASN A 3 -30.804 -19.427 -19.161 1.00 0.00 C ATOM 39 CG ASN A 3 -31.354 -20.743 -19.675 1.00 0.00 C ATOM 40 OD1 ASN A 3 -30.618 -21.715 -19.842 1.00 0.00 O ATOM 41 ND2 ASN A 3 -32.657 -20.780 -19.931 1.00 0.00 N ATOM 0 H ASN A 3 -29.128 -17.638 -17.911 1.00 0.00 H new ATOM 0 HA ASN A 3 -30.245 -20.306 -17.277 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -31.629 -18.796 -18.830 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.307 -18.901 -19.976 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -33.084 -21.638 -20.280 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -33.231 -19.950 -19.778 1.00 0.00 H new ATOM 48 N ILE A 4 -28.189 -21.413 -18.036 1.00 0.00 N ATOM 49 CA ILE A 4 -26.980 -22.113 -18.459 1.00 0.00 C ATOM 50 C ILE A 4 -27.336 -23.444 -19.117 1.00 0.00 C ATOM 51 O ILE A 4 -28.011 -24.280 -18.515 1.00 0.00 O ATOM 52 CB ILE A 4 -26.030 -22.375 -17.272 1.00 0.00 C ATOM 53 CG1 ILE A 4 -25.772 -21.082 -16.494 1.00 0.00 C ATOM 54 CG2 ILE A 4 -24.719 -22.970 -17.767 1.00 0.00 C ATOM 55 CD1 ILE A 4 -24.842 -21.261 -15.311 1.00 0.00 C ATOM 0 H ILE A 4 -28.742 -21.913 -17.340 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.471 -21.471 -19.177 1.00 0.00 H new ATOM 0 HB ILE A 4 -26.504 -23.090 -16.600 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -25.348 -20.340 -17.170 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.723 -20.684 -16.141 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.058 -23.150 -16.919 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.917 -23.912 -18.279 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.242 -22.275 -18.458 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -24.705 -20.304 -14.808 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.274 -21.979 -14.614 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -23.877 -21.629 -15.659 1.00 0.00 H new ATOM 67 N THR A 5 -26.882 -23.637 -20.351 1.00 0.00 N ATOM 68 CA THR A 5 -27.159 -24.871 -21.079 1.00 0.00 C ATOM 69 C THR A 5 -25.906 -25.403 -21.762 1.00 0.00 C ATOM 70 O THR A 5 -24.938 -24.671 -21.969 1.00 0.00 O ATOM 71 CB THR A 5 -28.260 -24.645 -22.116 1.00 0.00 C ATOM 72 OG1 THR A 5 -28.106 -23.386 -22.747 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.652 -24.705 -21.530 1.00 0.00 C ATOM 0 H THR A 5 -26.323 -22.958 -20.867 1.00 0.00 H new ATOM 0 HA THR A 5 -27.496 -25.613 -20.356 1.00 0.00 H new ATOM 0 HB THR A 5 -28.153 -25.457 -22.835 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.924 -22.859 -22.631 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.386 -24.537 -22.318 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.817 -25.686 -21.084 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.758 -23.936 -20.765 1.00 0.00 H new ATOM 81 N SER A 6 -25.929 -26.687 -22.102 1.00 0.00 N ATOM 82 CA SER A 6 -24.796 -27.331 -22.756 1.00 0.00 C ATOM 83 C SER A 6 -25.220 -28.657 -23.381 1.00 0.00 C ATOM 84 O SER A 6 -26.035 -29.388 -22.820 1.00 0.00 O ATOM 85 CB SER A 6 -23.669 -27.567 -21.749 1.00 0.00 C ATOM 86 OG SER A 6 -23.919 -28.720 -20.964 1.00 0.00 O ATOM 0 H SER A 6 -26.723 -27.304 -21.935 1.00 0.00 H new ATOM 0 HA SER A 6 -24.436 -26.672 -23.546 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.723 -27.682 -22.278 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.568 -26.697 -21.101 1.00 0.00 H new ATOM 0 HG SER A 6 -24.827 -28.676 -20.598 1.00 0.00 H new ATOM 92 N LYS A 7 -24.660 -28.958 -24.550 1.00 0.00 N ATOM 93 CA LYS A 7 -24.980 -30.193 -25.258 1.00 0.00 C ATOM 94 C LYS A 7 -23.887 -31.237 -25.052 1.00 0.00 C ATOM 95 O LYS A 7 -23.670 -32.099 -25.903 1.00 0.00 O ATOM 96 CB LYS A 7 -25.161 -29.916 -26.752 1.00 0.00 C ATOM 97 CG LYS A 7 -26.422 -29.132 -27.079 1.00 0.00 C ATOM 98 CD LYS A 7 -26.179 -28.121 -28.188 1.00 0.00 C ATOM 99 CE LYS A 7 -26.902 -26.811 -27.918 1.00 0.00 C ATOM 100 NZ LYS A 7 -26.760 -25.853 -29.049 1.00 0.00 N ATOM 0 H LYS A 7 -23.982 -28.363 -25.026 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.913 -30.584 -24.852 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.295 -29.364 -27.118 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.184 -30.865 -27.288 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -27.212 -29.820 -27.380 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.773 -28.616 -26.185 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -25.109 -27.934 -28.283 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -26.516 -28.534 -29.139 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -27.959 -27.010 -27.742 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -26.507 -26.359 -27.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -27.267 -24.973 -28.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -25.753 -25.643 -29.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -27.160 -26.273 -29.912 1.00 0.00 H new ATOM 114 N GLN A 8 -23.209 -31.153 -23.914 1.00 0.00 N ATOM 115 CA GLN A 8 -22.147 -32.085 -23.585 1.00 0.00 C ATOM 116 C GLN A 8 -22.185 -32.441 -22.103 1.00 0.00 C ATOM 117 O GLN A 8 -22.089 -33.610 -21.732 1.00 0.00 O ATOM 118 CB GLN A 8 -20.784 -31.495 -23.950 1.00 0.00 C ATOM 119 CG GLN A 8 -19.668 -32.525 -24.001 1.00 0.00 C ATOM 120 CD GLN A 8 -19.824 -33.497 -25.154 1.00 0.00 C ATOM 121 OE1 GLN A 8 -20.708 -34.353 -25.144 1.00 0.00 O ATOM 122 NE2 GLN A 8 -18.962 -33.368 -26.156 1.00 0.00 N ATOM 0 H GLN A 8 -23.380 -30.443 -23.202 1.00 0.00 H new ATOM 0 HA GLN A 8 -22.301 -32.995 -24.165 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.858 -31.004 -24.920 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.524 -30.726 -23.223 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.710 -32.013 -24.089 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.648 -33.080 -23.063 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.245 -32.643 -26.122 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.017 -33.993 -26.960 1.00 0.00 H new ATOM 131 N MET A 9 -22.330 -31.422 -21.262 1.00 0.00 N ATOM 132 CA MET A 9 -22.387 -31.621 -19.820 1.00 0.00 C ATOM 133 C MET A 9 -23.764 -31.250 -19.279 1.00 0.00 C ATOM 134 O MET A 9 -24.665 -30.898 -20.039 1.00 0.00 O ATOM 135 CB MET A 9 -21.311 -30.782 -19.127 1.00 0.00 C ATOM 136 CG MET A 9 -19.912 -31.362 -19.250 1.00 0.00 C ATOM 137 SD MET A 9 -19.249 -31.231 -20.921 1.00 0.00 S ATOM 138 CE MET A 9 -18.804 -29.496 -20.973 1.00 0.00 C ATOM 0 H MET A 9 -22.410 -30.449 -21.556 1.00 0.00 H new ATOM 0 HA MET A 9 -22.205 -32.675 -19.613 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.317 -29.778 -19.550 1.00 0.00 H new ATOM 0 HB3 MET A 9 -21.563 -30.684 -18.071 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.247 -30.845 -18.558 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.930 -32.410 -18.952 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.977 -29.353 -21.669 1.00 0.00 H new ATOM 0 HE2 MET A 9 -19.662 -28.910 -21.303 1.00 0.00 H new ATOM 0 HE3 MET A 9 -18.502 -29.168 -19.978 1.00 0.00 H new ATOM 148 N GLU A 10 -23.917 -31.328 -17.962 1.00 0.00 N ATOM 149 CA GLU A 10 -25.182 -30.997 -17.318 1.00 0.00 C ATOM 150 C GLU A 10 -24.993 -29.857 -16.323 1.00 0.00 C ATOM 151 O GLU A 10 -23.865 -29.457 -16.033 1.00 0.00 O ATOM 152 CB GLU A 10 -25.749 -32.226 -16.605 1.00 0.00 C ATOM 153 CG GLU A 10 -27.222 -32.104 -16.256 1.00 0.00 C ATOM 154 CD GLU A 10 -27.988 -33.390 -16.494 1.00 0.00 C ATOM 155 OE1 GLU A 10 -27.516 -34.454 -16.042 1.00 0.00 O ATOM 156 OE2 GLU A 10 -29.059 -33.334 -17.134 1.00 0.00 O ATOM 0 H GLU A 10 -23.180 -31.618 -17.319 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.886 -30.676 -18.085 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.606 -33.101 -17.239 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.181 -32.399 -15.691 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -27.321 -31.816 -15.209 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.667 -31.306 -16.850 1.00 0.00 H new ATOM 163 N ILE A 11 -26.099 -29.316 -15.822 1.00 0.00 N ATOM 164 CA ILE A 11 -26.060 -28.213 -14.899 1.00 0.00 C ATOM 165 C ILE A 11 -25.960 -28.716 -13.467 1.00 0.00 C ATOM 166 O ILE A 11 -26.944 -29.145 -12.865 1.00 0.00 O ATOM 167 CB ILE A 11 -27.335 -27.366 -15.049 1.00 0.00 C ATOM 168 CG1 ILE A 11 -27.480 -26.839 -16.483 1.00 0.00 C ATOM 169 CG2 ILE A 11 -27.328 -26.207 -14.058 1.00 0.00 C ATOM 170 CD1 ILE A 11 -26.993 -27.761 -17.583 1.00 0.00 C ATOM 0 H ILE A 11 -27.040 -29.637 -16.051 1.00 0.00 H new ATOM 0 HA ILE A 11 -25.183 -27.606 -15.124 1.00 0.00 H new ATOM 0 HB ILE A 11 -28.191 -28.006 -14.833 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -28.532 -26.616 -16.662 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -26.937 -25.897 -16.559 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -28.238 -25.619 -14.179 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -27.281 -26.598 -13.042 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -26.460 -25.575 -14.244 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -27.145 -27.284 -18.551 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -25.932 -27.966 -17.443 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -27.551 -28.697 -17.547 1.00 0.00 H new ATOM 182 N THR A 12 -24.749 -28.648 -12.941 1.00 0.00 N ATOM 183 CA THR A 12 -24.470 -29.081 -11.578 1.00 0.00 C ATOM 184 C THR A 12 -24.512 -27.900 -10.613 1.00 0.00 C ATOM 185 O THR A 12 -24.218 -26.768 -10.995 1.00 0.00 O ATOM 186 CB THR A 12 -23.100 -29.758 -11.511 1.00 0.00 C ATOM 187 OG1 THR A 12 -22.061 -28.798 -11.589 1.00 0.00 O ATOM 188 CG2 THR A 12 -22.878 -30.767 -12.618 1.00 0.00 C ATOM 0 H THR A 12 -23.934 -28.294 -13.442 1.00 0.00 H new ATOM 0 HA THR A 12 -25.239 -29.795 -11.284 1.00 0.00 H new ATOM 0 HB THR A 12 -23.082 -30.281 -10.555 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.193 -29.251 -11.543 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.888 -31.211 -12.513 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.635 -31.549 -12.555 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.951 -30.269 -13.585 1.00 0.00 H new ATOM 196 N PRO A 13 -24.866 -28.147 -9.341 1.00 0.00 N ATOM 197 CA PRO A 13 -24.924 -27.095 -8.323 1.00 0.00 C ATOM 198 C PRO A 13 -23.608 -26.339 -8.216 1.00 0.00 C ATOM 199 O PRO A 13 -23.580 -25.171 -7.826 1.00 0.00 O ATOM 200 CB PRO A 13 -25.221 -27.852 -7.020 1.00 0.00 C ATOM 201 CG PRO A 13 -24.950 -29.288 -7.323 1.00 0.00 C ATOM 202 CD PRO A 13 -25.216 -29.463 -8.789 1.00 0.00 C ATOM 0 HA PRO A 13 -25.675 -26.341 -8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.589 -27.496 -6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.255 -27.705 -6.708 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.920 -29.550 -7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -25.592 -29.939 -6.730 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.606 -30.258 -9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -26.257 -29.720 -8.984 1.00 0.00 H new ATOM 210 N ALA A 14 -22.516 -27.006 -8.573 1.00 0.00 N ATOM 211 CA ALA A 14 -21.199 -26.387 -8.527 1.00 0.00 C ATOM 212 C ALA A 14 -21.030 -25.404 -9.675 1.00 0.00 C ATOM 213 O ALA A 14 -20.548 -24.287 -9.486 1.00 0.00 O ATOM 214 CB ALA A 14 -20.110 -27.449 -8.568 1.00 0.00 C ATOM 0 H ALA A 14 -22.518 -27.973 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.109 -25.838 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.132 -26.969 -8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.218 -28.115 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.198 -28.025 -9.489 1.00 0.00 H new ATOM 220 N ILE A 15 -21.448 -25.821 -10.866 1.00 0.00 N ATOM 221 CA ILE A 15 -21.363 -24.970 -12.040 1.00 0.00 C ATOM 222 C ILE A 15 -22.401 -23.864 -11.941 1.00 0.00 C ATOM 223 O ILE A 15 -22.216 -22.769 -12.473 1.00 0.00 O ATOM 224 CB ILE A 15 -21.588 -25.769 -13.340 1.00 0.00 C ATOM 225 CG1 ILE A 15 -20.646 -26.973 -13.394 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.386 -24.876 -14.555 1.00 0.00 C ATOM 227 CD1 ILE A 15 -21.140 -28.089 -14.289 1.00 0.00 C ATOM 0 H ILE A 15 -21.848 -26.743 -11.040 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.360 -24.545 -12.075 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.615 -26.134 -13.350 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.668 -26.643 -13.745 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -20.508 -27.362 -12.385 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.549 -25.456 -15.464 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -22.095 -24.049 -14.521 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.369 -24.483 -14.553 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.422 -28.909 -14.278 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -22.104 -28.446 -13.927 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -21.251 -27.717 -15.307 1.00 0.00 H new ATOM 239 N ARG A 16 -23.486 -24.158 -11.232 1.00 0.00 N ATOM 240 CA ARG A 16 -24.549 -23.192 -11.029 1.00 0.00 C ATOM 241 C ARG A 16 -24.123 -22.171 -9.981 1.00 0.00 C ATOM 242 O ARG A 16 -24.299 -20.968 -10.163 1.00 0.00 O ATOM 243 CB ARG A 16 -25.835 -23.898 -10.589 1.00 0.00 C ATOM 244 CG ARG A 16 -26.895 -23.966 -11.677 1.00 0.00 C ATOM 245 CD ARG A 16 -28.031 -22.988 -11.419 1.00 0.00 C ATOM 246 NE ARG A 16 -29.323 -23.664 -11.315 1.00 0.00 N ATOM 247 CZ ARG A 16 -29.733 -24.319 -10.232 1.00 0.00 C ATOM 248 NH1 ARG A 16 -28.958 -24.389 -9.157 1.00 0.00 N ATOM 249 NH2 ARG A 16 -30.923 -24.905 -10.223 1.00 0.00 N ATOM 0 H ARG A 16 -23.648 -25.062 -10.789 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.744 -22.677 -11.970 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -25.592 -24.910 -10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -26.247 -23.378 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -26.439 -23.748 -12.643 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -27.293 -24.979 -11.734 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -27.834 -22.439 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -28.069 -22.256 -12.225 1.00 0.00 H new ATOM 0 HE ARG A 16 -29.947 -23.632 -12.121 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -28.043 -23.939 -9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -29.278 -24.893 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -31.523 -24.853 -11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -31.238 -25.407 -9.393 1.00 0.00 H new ATOM 263 N GLN A 17 -23.543 -22.665 -8.890 1.00 0.00 N ATOM 264 CA GLN A 17 -23.069 -21.801 -7.816 1.00 0.00 C ATOM 265 C GLN A 17 -21.884 -20.961 -8.281 1.00 0.00 C ATOM 266 O GLN A 17 -21.798 -19.777 -7.958 1.00 0.00 O ATOM 267 CB GLN A 17 -22.690 -22.635 -6.589 1.00 0.00 C ATOM 268 CG GLN A 17 -22.038 -21.831 -5.474 1.00 0.00 C ATOM 269 CD GLN A 17 -21.493 -22.706 -4.363 1.00 0.00 C ATOM 270 OE1 GLN A 17 -21.945 -23.835 -4.170 1.00 0.00 O ATOM 271 NE2 GLN A 17 -20.519 -22.189 -3.625 1.00 0.00 N ATOM 0 H GLN A 17 -23.391 -23.660 -8.728 1.00 0.00 H new ATOM 0 HA GLN A 17 -23.877 -21.124 -7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -23.586 -23.118 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -22.009 -23.428 -6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -21.228 -21.232 -5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -22.768 -21.136 -5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -20.175 -21.249 -3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -20.114 -22.732 -2.862 1.00 0.00 H new ATOM 280 N HIS A 18 -20.980 -21.559 -9.047 1.00 0.00 N ATOM 281 CA HIS A 18 -19.825 -20.826 -9.551 1.00 0.00 C ATOM 282 C HIS A 18 -20.285 -19.660 -10.422 1.00 0.00 C ATOM 283 O HIS A 18 -19.982 -18.499 -10.132 1.00 0.00 O ATOM 284 CB HIS A 18 -18.877 -21.750 -10.322 1.00 0.00 C ATOM 285 CG HIS A 18 -17.754 -21.030 -11.004 1.00 0.00 C ATOM 286 ND1 HIS A 18 -16.604 -20.636 -10.352 1.00 0.00 N ATOM 287 CD2 HIS A 18 -17.608 -20.631 -12.291 1.00 0.00 C ATOM 288 CE1 HIS A 18 -15.801 -20.026 -11.206 1.00 0.00 C ATOM 289 NE2 HIS A 18 -16.388 -20.011 -12.389 1.00 0.00 N ATOM 0 H HIS A 18 -21.022 -22.538 -9.330 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.271 -20.427 -8.701 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -18.460 -22.484 -9.633 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -19.449 -22.302 -11.068 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -18.320 -20.774 -13.091 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.831 -19.611 -10.976 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -15.997 -19.604 -13.239 1.00 0.00 H new ATOM 298 N VAL A 19 -21.038 -19.960 -11.471 1.00 0.00 N ATOM 299 CA VAL A 19 -21.550 -18.923 -12.346 1.00 0.00 C ATOM 300 C VAL A 19 -22.444 -17.966 -11.566 1.00 0.00 C ATOM 301 O VAL A 19 -22.297 -16.749 -11.664 1.00 0.00 O ATOM 302 CB VAL A 19 -22.347 -19.522 -13.518 1.00 0.00 C ATOM 303 CG1 VAL A 19 -22.731 -18.438 -14.508 1.00 0.00 C ATOM 304 CG2 VAL A 19 -21.549 -20.623 -14.203 1.00 0.00 C ATOM 0 H VAL A 19 -21.305 -20.909 -11.733 1.00 0.00 H new ATOM 0 HA VAL A 19 -20.694 -18.380 -12.748 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.262 -19.963 -13.123 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -23.294 -18.879 -15.330 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -23.346 -17.690 -14.008 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -21.829 -17.965 -14.898 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -22.130 -21.034 -15.029 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -20.615 -20.211 -14.586 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.330 -21.414 -13.485 1.00 0.00 H new ATOM 314 N ALA A 20 -23.363 -18.525 -10.786 1.00 0.00 N ATOM 315 CA ALA A 20 -24.275 -17.717 -9.983 1.00 0.00 C ATOM 316 C ALA A 20 -23.529 -16.813 -9.004 1.00 0.00 C ATOM 317 O ALA A 20 -23.907 -15.657 -8.820 1.00 0.00 O ATOM 318 CB ALA A 20 -25.275 -18.594 -9.255 1.00 0.00 C ATOM 0 H ALA A 20 -23.496 -19.532 -10.692 1.00 0.00 H new ATOM 0 HA ALA A 20 -24.820 -17.068 -10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.944 -17.969 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -25.857 -19.162 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.744 -19.282 -8.597 1.00 0.00 H new ATOM 324 N ASP A 21 -22.470 -17.323 -8.377 1.00 0.00 N ATOM 325 CA ASP A 21 -21.706 -16.512 -7.431 1.00 0.00 C ATOM 326 C ASP A 21 -21.149 -15.282 -8.135 1.00 0.00 C ATOM 327 O ASP A 21 -21.061 -14.201 -7.552 1.00 0.00 O ATOM 328 CB ASP A 21 -20.573 -17.324 -6.782 1.00 0.00 C ATOM 329 CG ASP A 21 -19.337 -17.455 -7.659 1.00 0.00 C ATOM 330 OD1 ASP A 21 -18.789 -16.415 -8.082 1.00 0.00 O ATOM 331 OD2 ASP A 21 -18.908 -18.598 -7.907 1.00 0.00 O ATOM 0 H ASP A 21 -22.126 -18.275 -8.503 1.00 0.00 H new ATOM 0 HA ASP A 21 -22.378 -16.193 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.292 -16.851 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -20.944 -18.320 -6.540 1.00 0.00 H new ATOM 336 N ARG A 22 -20.783 -15.459 -9.399 1.00 0.00 N ATOM 337 CA ARG A 22 -20.242 -14.369 -10.199 1.00 0.00 C ATOM 338 C ARG A 22 -21.356 -13.430 -10.653 1.00 0.00 C ATOM 339 O ARG A 22 -21.125 -12.243 -10.876 1.00 0.00 O ATOM 340 CB ARG A 22 -19.503 -14.922 -11.417 1.00 0.00 C ATOM 341 CG ARG A 22 -18.236 -15.685 -11.068 1.00 0.00 C ATOM 342 CD ARG A 22 -17.148 -14.759 -10.548 1.00 0.00 C ATOM 343 NE ARG A 22 -16.480 -14.035 -11.628 1.00 0.00 N ATOM 344 CZ ARG A 22 -16.874 -12.849 -12.086 1.00 0.00 C ATOM 345 NH1 ARG A 22 -17.937 -12.243 -11.570 1.00 0.00 N ATOM 346 NH2 ARG A 22 -16.201 -12.263 -13.068 1.00 0.00 N ATOM 0 H ARG A 22 -20.852 -16.349 -9.892 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.541 -13.808 -9.581 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.173 -15.581 -11.969 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.248 -14.097 -12.082 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.462 -16.440 -10.315 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.874 -16.213 -11.950 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.584 -14.045 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.412 -15.341 -9.993 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.661 -14.465 -12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.460 -12.686 -10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.230 -11.334 -11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.383 -12.721 -13.470 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.501 -11.354 -13.421 1.00 0.00 H new ATOM 360 N LEU A 23 -22.567 -13.966 -10.780 1.00 0.00 N ATOM 361 CA LEU A 23 -23.709 -13.166 -11.200 1.00 0.00 C ATOM 362 C LEU A 23 -24.083 -12.160 -10.119 1.00 0.00 C ATOM 363 O LEU A 23 -24.097 -10.951 -10.353 1.00 0.00 O ATOM 364 CB LEU A 23 -24.913 -14.066 -11.506 1.00 0.00 C ATOM 365 CG LEU A 23 -24.651 -15.235 -12.466 1.00 0.00 C ATOM 366 CD1 LEU A 23 -25.920 -15.590 -13.224 1.00 0.00 C ATOM 367 CD2 LEU A 23 -23.526 -14.905 -13.439 1.00 0.00 C ATOM 0 H LEU A 23 -22.780 -14.947 -10.599 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.430 -12.627 -12.105 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -25.288 -14.471 -10.566 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.707 -13.448 -11.926 1.00 0.00 H new ATOM 0 HG LEU A 23 -24.342 -16.096 -11.874 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -25.719 -16.420 -13.901 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -26.698 -15.878 -12.517 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.254 -14.726 -13.799 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -23.363 -15.751 -14.107 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -23.798 -14.027 -14.025 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -22.612 -14.700 -12.882 1.00 0.00 H new ATOM 379 N ALA A 24 -24.385 -12.675 -8.932 1.00 0.00 N ATOM 380 CA ALA A 24 -24.761 -11.837 -7.798 1.00 0.00 C ATOM 381 C ALA A 24 -23.640 -10.872 -7.426 1.00 0.00 C ATOM 382 O ALA A 24 -23.884 -9.823 -6.830 1.00 0.00 O ATOM 383 CB ALA A 24 -25.133 -12.701 -6.603 1.00 0.00 C ATOM 0 H ALA A 24 -24.377 -13.675 -8.729 1.00 0.00 H new ATOM 0 HA ALA A 24 -25.629 -11.246 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -25.411 -12.062 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -25.974 -13.342 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -24.280 -13.319 -6.321 1.00 0.00 H new ATOM 389 N LYS A 25 -22.411 -11.228 -7.787 1.00 0.00 N ATOM 390 CA LYS A 25 -21.256 -10.388 -7.499 1.00 0.00 C ATOM 391 C LYS A 25 -21.161 -9.249 -8.507 1.00 0.00 C ATOM 392 O LYS A 25 -20.660 -8.168 -8.200 1.00 0.00 O ATOM 393 CB LYS A 25 -19.976 -11.223 -7.536 1.00 0.00 C ATOM 394 CG LYS A 25 -18.745 -10.473 -7.052 1.00 0.00 C ATOM 395 CD LYS A 25 -17.981 -9.851 -8.208 1.00 0.00 C ATOM 396 CE LYS A 25 -16.848 -8.966 -7.715 1.00 0.00 C ATOM 397 NZ LYS A 25 -15.743 -8.872 -8.710 1.00 0.00 N ATOM 0 H LYS A 25 -22.190 -12.093 -8.280 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.377 -9.964 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.114 -12.112 -6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.805 -11.565 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.045 -9.694 -6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.092 -11.156 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -17.578 -10.639 -8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.663 -9.263 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.232 -7.968 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.459 -9.363 -6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.990 -8.260 -8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.359 -9.821 -8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.108 -8.470 -9.597 1.00 0.00 H new ATOM 411 N LEU A 26 -21.645 -9.513 -9.715 1.00 0.00 N ATOM 412 CA LEU A 26 -21.625 -8.531 -10.792 1.00 0.00 C ATOM 413 C LEU A 26 -22.760 -7.520 -10.635 1.00 0.00 C ATOM 414 O LEU A 26 -23.600 -7.373 -11.522 1.00 0.00 O ATOM 415 CB LEU A 26 -21.740 -9.248 -12.140 1.00 0.00 C ATOM 416 CG LEU A 26 -20.480 -9.989 -12.591 1.00 0.00 C ATOM 417 CD1 LEU A 26 -20.848 -11.233 -13.386 1.00 0.00 C ATOM 418 CD2 LEU A 26 -19.588 -9.072 -13.415 1.00 0.00 C ATOM 0 H LEU A 26 -22.060 -10.408 -9.974 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.682 -7.986 -10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.562 -9.961 -12.085 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.004 -8.515 -12.902 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.927 -10.300 -11.704 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.939 -11.747 -13.698 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -21.446 -11.899 -12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.423 -10.945 -14.266 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.697 -9.616 -13.727 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.132 -8.731 -14.296 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.296 -8.212 -12.813 1.00 0.00 H new ATOM 592 N PRO A 36 -30.660 -13.546 -19.631 1.00 0.00 N ATOM 593 CA PRO A 36 -29.375 -13.837 -20.266 1.00 0.00 C ATOM 594 C PRO A 36 -29.167 -15.336 -20.446 1.00 0.00 C ATOM 595 O PRO A 36 -29.366 -16.116 -19.516 1.00 0.00 O ATOM 596 CB PRO A 36 -28.365 -13.271 -19.274 1.00 0.00 C ATOM 597 CG PRO A 36 -29.029 -13.416 -17.947 1.00 0.00 C ATOM 598 CD PRO A 36 -30.509 -13.248 -18.192 1.00 0.00 C ATOM 0 HA PRO A 36 -29.293 -13.410 -21.265 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.423 -13.819 -19.309 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.135 -12.228 -19.492 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -28.816 -14.392 -17.510 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.664 -12.666 -17.246 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.097 -13.930 -17.578 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -30.842 -12.238 -17.955 1.00 0.00 H new ATOM 606 N HIS A 37 -28.779 -15.735 -21.652 1.00 0.00 N ATOM 607 CA HIS A 37 -28.563 -17.147 -21.950 1.00 0.00 C ATOM 608 C HIS A 37 -27.080 -17.476 -22.087 1.00 0.00 C ATOM 609 O HIS A 37 -26.347 -16.812 -22.820 1.00 0.00 O ATOM 610 CB HIS A 37 -29.302 -17.539 -23.229 1.00 0.00 C ATOM 611 CG HIS A 37 -29.816 -18.945 -23.216 1.00 0.00 C ATOM 612 ND1 HIS A 37 -30.974 -19.330 -23.858 1.00 0.00 N ATOM 613 CD2 HIS A 37 -29.323 -20.063 -22.631 1.00 0.00 C ATOM 614 CE1 HIS A 37 -31.172 -20.623 -23.668 1.00 0.00 C ATOM 615 NE2 HIS A 37 -30.184 -21.091 -22.928 1.00 0.00 N ATOM 0 H HIS A 37 -28.608 -15.105 -22.436 1.00 0.00 H new ATOM 0 HA HIS A 37 -28.958 -17.722 -21.112 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -30.138 -16.856 -23.379 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -28.632 -17.414 -24.079 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -31.583 -18.713 -24.396 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -28.421 -20.133 -22.041 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -32.001 -21.199 -24.053 1.00 0.00 H new ATOM 624 N ILE A 38 -26.651 -18.516 -21.380 1.00 0.00 N ATOM 625 CA ILE A 38 -25.262 -18.958 -21.418 1.00 0.00 C ATOM 626 C ILE A 38 -25.174 -20.406 -21.892 1.00 0.00 C ATOM 627 O ILE A 38 -25.919 -21.268 -21.427 1.00 0.00 O ATOM 628 CB ILE A 38 -24.590 -18.833 -20.036 1.00 0.00 C ATOM 629 CG1 ILE A 38 -24.671 -17.390 -19.534 1.00 0.00 C ATOM 630 CG2 ILE A 38 -23.141 -19.292 -20.102 1.00 0.00 C ATOM 631 CD1 ILE A 38 -26.050 -16.991 -19.056 1.00 0.00 C ATOM 0 H ILE A 38 -27.250 -19.072 -20.770 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.736 -18.311 -22.119 1.00 0.00 H new ATOM 0 HB ILE A 38 -25.122 -19.476 -19.334 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -23.960 -17.258 -18.718 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -24.365 -16.718 -20.335 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.684 -19.196 -19.117 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -23.104 -20.334 -20.420 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.596 -18.675 -20.816 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -26.032 -15.956 -18.715 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -26.762 -17.091 -19.875 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -26.351 -17.639 -18.233 1.00 0.00 H new ATOM 643 N ILE A 39 -24.263 -20.665 -22.826 1.00 0.00 N ATOM 644 CA ILE A 39 -24.081 -22.006 -23.367 1.00 0.00 C ATOM 645 C ILE A 39 -22.672 -22.525 -23.095 1.00 0.00 C ATOM 646 O ILE A 39 -21.717 -21.753 -23.027 1.00 0.00 O ATOM 647 CB ILE A 39 -24.342 -22.037 -24.887 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.697 -21.402 -25.208 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.285 -23.465 -25.407 1.00 0.00 C ATOM 650 CD1 ILE A 39 -25.684 -20.552 -26.459 1.00 0.00 C ATOM 0 H ILE A 39 -23.639 -19.962 -23.223 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.804 -22.649 -22.866 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.563 -21.459 -25.385 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -26.441 -22.190 -25.322 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -26.010 -20.787 -24.364 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.471 -23.469 -26.481 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.299 -23.886 -25.208 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -25.044 -24.066 -24.905 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -26.677 -20.134 -26.625 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -24.964 -19.742 -26.341 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -25.402 -21.167 -27.314 1.00 0.00 H new ATOM 662 N LEU A 40 -22.554 -23.840 -22.941 1.00 0.00 N ATOM 663 CA LEU A 40 -21.266 -24.473 -22.677 1.00 0.00 C ATOM 664 C LEU A 40 -20.972 -25.557 -23.707 1.00 0.00 C ATOM 665 O LEU A 40 -21.783 -26.459 -23.927 1.00 0.00 O ATOM 666 CB LEU A 40 -21.247 -25.075 -21.271 1.00 0.00 C ATOM 667 CG LEU A 40 -21.923 -24.225 -20.194 1.00 0.00 C ATOM 668 CD1 LEU A 40 -22.142 -25.040 -18.930 1.00 0.00 C ATOM 669 CD2 LEU A 40 -21.093 -22.986 -19.895 1.00 0.00 C ATOM 0 H LEU A 40 -23.338 -24.490 -22.995 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.493 -23.707 -22.748 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.735 -26.049 -21.303 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.211 -25.247 -20.980 1.00 0.00 H new ATOM 0 HG LEU A 40 -22.896 -23.905 -20.568 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -22.624 -24.418 -18.175 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -22.778 -25.896 -19.155 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -21.182 -25.390 -18.552 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -21.589 -22.393 -19.127 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -20.106 -23.286 -19.542 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -20.988 -22.391 -20.802 1.00 0.00 H new ATOM 681 N SER A 41 -19.804 -25.464 -24.334 1.00 0.00 N ATOM 682 CA SER A 41 -19.390 -26.435 -25.339 1.00 0.00 C ATOM 683 C SER A 41 -18.054 -27.061 -24.958 1.00 0.00 C ATOM 684 O SER A 41 -17.533 -26.820 -23.869 1.00 0.00 O ATOM 685 CB SER A 41 -19.287 -25.770 -26.712 1.00 0.00 C ATOM 686 OG SER A 41 -20.510 -25.153 -27.074 1.00 0.00 O ATOM 0 H SER A 41 -19.125 -24.722 -24.162 1.00 0.00 H new ATOM 0 HA SER A 41 -20.143 -27.222 -25.386 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.491 -25.026 -26.700 1.00 0.00 H new ATOM 0 HB3 SER A 41 -19.016 -26.515 -27.461 1.00 0.00 H new ATOM 0 HG SER A 41 -20.417 -24.734 -27.955 1.00 0.00 H new ATOM 692 N LYS A 42 -17.505 -27.871 -25.857 1.00 0.00 N ATOM 693 CA LYS A 42 -16.232 -28.534 -25.602 1.00 0.00 C ATOM 694 C LYS A 42 -15.582 -29.002 -26.897 1.00 0.00 C ATOM 695 O LYS A 42 -16.245 -29.525 -27.793 1.00 0.00 O ATOM 696 CB LYS A 42 -16.436 -29.726 -24.664 1.00 0.00 C ATOM 697 CG LYS A 42 -15.151 -30.468 -24.330 1.00 0.00 C ATOM 698 CD LYS A 42 -15.413 -31.941 -24.062 1.00 0.00 C ATOM 699 CE LYS A 42 -15.128 -32.789 -25.291 1.00 0.00 C ATOM 700 NZ LYS A 42 -14.553 -34.114 -24.931 1.00 0.00 N ATOM 0 H LYS A 42 -17.919 -28.083 -26.764 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.568 -27.810 -25.129 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.893 -29.375 -23.739 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.138 -30.422 -25.123 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.446 -30.367 -25.155 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.685 -30.015 -23.455 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.790 -32.278 -23.234 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.450 -32.078 -23.757 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.050 -32.934 -25.853 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.436 -32.259 -25.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.373 -34.661 -25.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.660 -33.977 -24.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.224 -34.631 -24.328 1.00 0.00 H new ATOM 714 N GLU A 43 -14.274 -28.819 -26.967 1.00 0.00 N ATOM 715 CA GLU A 43 -13.488 -29.221 -28.118 1.00 0.00 C ATOM 716 C GLU A 43 -12.277 -30.018 -27.647 1.00 0.00 C ATOM 717 O GLU A 43 -11.849 -29.877 -26.502 1.00 0.00 O ATOM 718 CB GLU A 43 -13.029 -27.991 -28.905 1.00 0.00 C ATOM 719 CG GLU A 43 -14.160 -27.273 -29.623 1.00 0.00 C ATOM 720 CD GLU A 43 -14.513 -27.920 -30.948 1.00 0.00 C ATOM 721 OE1 GLU A 43 -14.400 -29.159 -31.051 1.00 0.00 O ATOM 722 OE2 GLU A 43 -14.901 -27.187 -31.882 1.00 0.00 O ATOM 0 H GLU A 43 -13.727 -28.386 -26.223 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.102 -29.841 -28.772 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.542 -27.294 -28.223 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.281 -28.296 -29.637 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.042 -27.260 -28.983 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.876 -26.235 -29.794 1.00 0.00 H new ATOM 729 N PRO A 44 -11.702 -30.865 -28.508 1.00 0.00 N ATOM 730 CA PRO A 44 -10.535 -31.671 -28.141 1.00 0.00 C ATOM 731 C PRO A 44 -9.416 -30.834 -27.538 1.00 0.00 C ATOM 732 O PRO A 44 -8.573 -31.337 -26.794 1.00 0.00 O ATOM 733 CB PRO A 44 -10.092 -32.278 -29.469 1.00 0.00 C ATOM 734 CG PRO A 44 -11.331 -32.318 -30.298 1.00 0.00 C ATOM 735 CD PRO A 44 -12.135 -31.111 -29.896 1.00 0.00 C ATOM 0 HA PRO A 44 -10.776 -32.411 -27.378 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.318 -31.674 -29.942 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.676 -33.276 -29.329 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.091 -32.291 -31.361 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.890 -33.237 -30.121 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.928 -30.256 -30.540 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.206 -31.303 -29.956 1.00 0.00 H new ATOM 743 N GLN A 45 -9.413 -29.559 -27.881 1.00 0.00 N ATOM 744 CA GLN A 45 -8.399 -28.632 -27.401 1.00 0.00 C ATOM 745 C GLN A 45 -8.785 -27.970 -26.075 1.00 0.00 C ATOM 746 O GLN A 45 -7.979 -27.249 -25.486 1.00 0.00 O ATOM 747 CB GLN A 45 -8.127 -27.557 -28.455 1.00 0.00 C ATOM 748 CG GLN A 45 -6.723 -26.979 -28.388 1.00 0.00 C ATOM 749 CD GLN A 45 -6.631 -25.599 -29.007 1.00 0.00 C ATOM 750 OE1 GLN A 45 -7.588 -24.825 -28.973 1.00 0.00 O ATOM 751 NE2 GLN A 45 -5.475 -25.283 -29.577 1.00 0.00 N ATOM 0 H GLN A 45 -10.108 -29.137 -28.496 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.496 -29.215 -27.222 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.289 -27.982 -29.445 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.849 -26.750 -28.333 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.404 -26.928 -27.347 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.033 -27.650 -28.900 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.708 -25.956 -29.582 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.353 -24.368 -30.010 1.00 0.00 H new ATOM 760 N GLY A 46 -10.007 -28.209 -25.603 1.00 0.00 N ATOM 761 CA GLY A 46 -10.437 -27.613 -24.349 1.00 0.00 C ATOM 762 C GLY A 46 -11.925 -27.346 -24.326 1.00 0.00 C ATOM 763 O GLY A 46 -12.666 -27.914 -25.118 1.00 0.00 O ATOM 0 H GLY A 46 -10.701 -28.799 -26.062 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.176 -28.276 -23.525 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.899 -26.679 -24.189 1.00 0.00 H new ATOM 767 N PHE A 47 -12.371 -26.482 -23.421 1.00 0.00 N ATOM 768 CA PHE A 47 -13.790 -26.157 -23.321 1.00 0.00 C ATOM 769 C PHE A 47 -14.081 -24.737 -23.773 1.00 0.00 C ATOM 770 O PHE A 47 -13.217 -23.861 -23.739 1.00 0.00 O ATOM 771 CB PHE A 47 -14.279 -26.365 -21.896 1.00 0.00 C ATOM 772 CG PHE A 47 -13.872 -27.695 -21.360 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.580 -27.897 -20.923 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.769 -28.745 -21.322 1.00 0.00 C ATOM 775 CE1 PHE A 47 -12.183 -29.125 -20.448 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.381 -29.982 -20.851 1.00 0.00 C ATOM 777 CZ PHE A 47 -13.083 -30.175 -20.412 1.00 0.00 C ATOM 0 H PHE A 47 -11.776 -25.997 -22.750 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.327 -26.831 -23.989 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.880 -25.578 -21.256 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.365 -26.279 -21.868 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.872 -27.082 -20.954 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.783 -28.596 -21.664 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.170 -29.270 -20.103 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -15.088 -30.798 -20.825 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.774 -31.142 -20.043 1.00 0.00 H new ATOM 787 N VAL A 48 -15.317 -24.533 -24.211 1.00 0.00 N ATOM 788 CA VAL A 48 -15.761 -23.238 -24.696 1.00 0.00 C ATOM 789 C VAL A 48 -17.048 -22.806 -23.998 1.00 0.00 C ATOM 790 O VAL A 48 -17.946 -23.616 -23.779 1.00 0.00 O ATOM 791 CB VAL A 48 -15.990 -23.282 -26.221 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.648 -22.002 -26.718 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.675 -23.525 -26.947 1.00 0.00 C ATOM 0 H VAL A 48 -16.034 -25.258 -24.239 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.980 -22.512 -24.471 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.667 -24.109 -26.437 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.796 -22.064 -27.796 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.612 -21.874 -26.226 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -16.007 -21.151 -26.488 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.853 -23.553 -28.022 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.978 -22.720 -26.716 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.251 -24.476 -26.624 1.00 0.00 H new ATOM 803 N ALA A 49 -17.132 -21.525 -23.657 1.00 0.00 N ATOM 804 CA ALA A 49 -18.313 -20.991 -22.991 1.00 0.00 C ATOM 805 C ALA A 49 -18.790 -19.715 -23.677 1.00 0.00 C ATOM 806 O ALA A 49 -18.026 -18.765 -23.828 1.00 0.00 O ATOM 807 CB ALA A 49 -18.016 -20.725 -21.523 1.00 0.00 C ATOM 0 H ALA A 49 -16.398 -20.839 -23.831 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.109 -21.732 -23.058 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.907 -20.326 -21.038 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.724 -21.656 -21.037 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.204 -20.002 -21.441 1.00 0.00 H new ATOM 813 N ASP A 50 -20.053 -19.698 -24.091 1.00 0.00 N ATOM 814 CA ASP A 50 -20.617 -18.530 -24.760 1.00 0.00 C ATOM 815 C ASP A 50 -21.787 -17.959 -23.968 1.00 0.00 C ATOM 816 O ASP A 50 -22.517 -18.695 -23.306 1.00 0.00 O ATOM 817 CB ASP A 50 -21.078 -18.897 -26.171 1.00 0.00 C ATOM 818 CG ASP A 50 -19.919 -19.084 -27.130 1.00 0.00 C ATOM 819 OD1 ASP A 50 -19.092 -19.989 -26.891 1.00 0.00 O ATOM 820 OD2 ASP A 50 -19.839 -18.327 -28.120 1.00 0.00 O ATOM 0 H ASP A 50 -20.703 -20.476 -23.976 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.838 -17.770 -24.823 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.664 -19.815 -26.131 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.736 -18.115 -26.550 1.00 0.00 H new ATOM 825 N ALA A 51 -21.964 -16.644 -24.040 1.00 0.00 N ATOM 826 CA ALA A 51 -23.052 -15.989 -23.326 1.00 0.00 C ATOM 827 C ALA A 51 -23.622 -14.821 -24.123 1.00 0.00 C ATOM 828 O ALA A 51 -22.882 -14.074 -24.764 1.00 0.00 O ATOM 829 CB ALA A 51 -22.583 -15.512 -21.960 1.00 0.00 C ATOM 0 H ALA A 51 -21.372 -16.015 -24.582 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.846 -16.724 -23.192 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.409 -15.025 -21.441 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.239 -16.365 -21.375 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.764 -14.803 -22.084 1.00 0.00 H new ATOM 835 N THR A 52 -24.938 -14.662 -24.069 1.00 0.00 N ATOM 836 CA THR A 52 -25.603 -13.576 -24.776 1.00 0.00 C ATOM 837 C THR A 52 -26.643 -12.927 -23.874 1.00 0.00 C ATOM 838 O THR A 52 -27.461 -13.615 -23.263 1.00 0.00 O ATOM 839 CB THR A 52 -26.266 -14.096 -26.053 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.434 -15.042 -26.700 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.582 -13.003 -27.051 1.00 0.00 C ATOM 0 H THR A 52 -25.565 -15.271 -23.543 1.00 0.00 H new ATOM 0 HA THR A 52 -24.857 -12.831 -25.051 1.00 0.00 H new ATOM 0 HB THR A 52 -27.202 -14.550 -25.728 1.00 0.00 H new ATOM 0 HG1 THR A 52 -25.876 -15.364 -27.513 1.00 0.00 H new ATOM 0 HG21 THR A 52 -27.050 -13.440 -27.933 1.00 0.00 H new ATOM 0 HG22 THR A 52 -27.263 -12.282 -26.598 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.661 -12.498 -27.342 1.00 0.00 H new ATOM 849 N ILE A 53 -26.606 -11.605 -23.781 1.00 0.00 N ATOM 850 CA ILE A 53 -27.546 -10.880 -22.940 1.00 0.00 C ATOM 851 C ILE A 53 -28.189 -9.732 -23.708 1.00 0.00 C ATOM 852 O ILE A 53 -27.506 -8.971 -24.394 1.00 0.00 O ATOM 853 CB ILE A 53 -26.854 -10.326 -21.678 1.00 0.00 C ATOM 854 CG1 ILE A 53 -25.933 -11.387 -21.070 1.00 0.00 C ATOM 855 CG2 ILE A 53 -27.893 -9.873 -20.664 1.00 0.00 C ATOM 856 CD1 ILE A 53 -24.950 -10.834 -20.061 1.00 0.00 C ATOM 0 H ILE A 53 -25.937 -11.015 -24.276 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.319 -11.586 -22.637 1.00 0.00 H new ATOM 0 HB ILE A 53 -26.248 -9.464 -21.959 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -26.543 -12.152 -20.589 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.380 -11.878 -21.871 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.391 -9.484 -19.778 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.513 -9.091 -21.103 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.521 -10.719 -20.384 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -24.332 -11.644 -19.674 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -24.314 -10.090 -20.542 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -25.495 -10.369 -19.240 1.00 0.00 H new ATOM 868 N ASN A 54 -29.505 -9.608 -23.582 1.00 0.00 N ATOM 869 CA ASN A 54 -30.242 -8.549 -24.256 1.00 0.00 C ATOM 870 C ASN A 54 -30.631 -7.453 -23.271 1.00 0.00 C ATOM 871 O ASN A 54 -31.134 -7.736 -22.183 1.00 0.00 O ATOM 872 CB ASN A 54 -31.494 -9.116 -24.928 1.00 0.00 C ATOM 873 CG ASN A 54 -31.404 -9.084 -26.440 1.00 0.00 C ATOM 874 OD1 ASN A 54 -30.926 -10.031 -27.066 1.00 0.00 O ATOM 875 ND2 ASN A 54 -31.862 -7.991 -27.038 1.00 0.00 N ATOM 0 H ASN A 54 -30.084 -10.230 -23.018 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.595 -8.117 -25.020 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -31.646 -10.144 -24.598 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -32.365 -8.545 -24.607 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -31.826 -7.913 -28.054 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -32.250 -7.230 -26.481 1.00 0.00 H new ATOM 882 N THR A 55 -30.405 -6.205 -23.659 1.00 0.00 N ATOM 883 CA THR A 55 -30.746 -5.074 -22.807 1.00 0.00 C ATOM 884 C THR A 55 -31.461 -3.996 -23.617 1.00 0.00 C ATOM 885 O THR A 55 -31.037 -3.664 -24.723 1.00 0.00 O ATOM 886 CB THR A 55 -29.485 -4.488 -22.159 1.00 0.00 C ATOM 887 OG1 THR A 55 -28.796 -3.652 -23.071 1.00 0.00 O ATOM 888 CG2 THR A 55 -28.511 -5.543 -21.679 1.00 0.00 C ATOM 0 H THR A 55 -29.989 -5.951 -24.555 1.00 0.00 H new ATOM 0 HA THR A 55 -31.413 -5.428 -22.021 1.00 0.00 H new ATOM 0 HB THR A 55 -29.840 -3.925 -21.296 1.00 0.00 H new ATOM 0 HG1 THR A 55 -29.109 -3.834 -23.982 1.00 0.00 H new ATOM 0 HG21 THR A 55 -27.642 -5.060 -21.232 1.00 0.00 H new ATOM 0 HG22 THR A 55 -28.997 -6.176 -20.936 1.00 0.00 H new ATOM 0 HG23 THR A 55 -28.191 -6.154 -22.523 1.00 0.00 H new ATOM 896 N PRO A 56 -32.554 -3.428 -23.086 1.00 0.00 N ATOM 897 CA PRO A 56 -33.311 -2.382 -23.780 1.00 0.00 C ATOM 898 C PRO A 56 -32.415 -1.298 -24.382 1.00 0.00 C ATOM 899 O PRO A 56 -32.832 -0.575 -25.288 1.00 0.00 O ATOM 900 CB PRO A 56 -34.185 -1.798 -22.671 1.00 0.00 C ATOM 901 CG PRO A 56 -34.404 -2.935 -21.734 1.00 0.00 C ATOM 902 CD PRO A 56 -33.143 -3.757 -21.772 1.00 0.00 C ATOM 0 HA PRO A 56 -33.869 -2.779 -24.628 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -33.691 -0.963 -22.174 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -35.129 -1.421 -23.066 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -34.604 -2.575 -20.725 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -35.266 -3.529 -22.037 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -32.470 -3.497 -20.955 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -33.356 -4.822 -21.683 1.00 0.00 H new ATOM 910 N ASN A 57 -31.189 -1.178 -23.874 1.00 0.00 N ATOM 911 CA ASN A 57 -30.254 -0.170 -24.368 1.00 0.00 C ATOM 912 C ASN A 57 -29.075 -0.796 -25.116 1.00 0.00 C ATOM 913 O ASN A 57 -28.030 -0.164 -25.269 1.00 0.00 O ATOM 914 CB ASN A 57 -29.735 0.678 -23.206 1.00 0.00 C ATOM 915 CG ASN A 57 -30.769 1.663 -22.698 1.00 0.00 C ATOM 916 OD1 ASN A 57 -31.950 1.335 -22.581 1.00 0.00 O ATOM 917 ND2 ASN A 57 -30.329 2.879 -22.394 1.00 0.00 N ATOM 0 H ASN A 57 -30.822 -1.764 -23.124 1.00 0.00 H new ATOM 0 HA ASN A 57 -30.797 0.460 -25.072 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -29.431 0.023 -22.390 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -28.846 1.222 -23.526 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -30.979 3.585 -22.048 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -29.341 3.107 -22.507 1.00 0.00 H new ATOM 924 N GLY A 58 -29.241 -2.031 -25.587 1.00 0.00 N ATOM 925 CA GLY A 58 -28.168 -2.688 -26.318 1.00 0.00 C ATOM 926 C GLY A 58 -28.059 -4.172 -26.020 1.00 0.00 C ATOM 927 O GLY A 58 -28.888 -4.733 -25.304 1.00 0.00 O ATOM 0 H GLY A 58 -30.091 -2.584 -25.477 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -28.329 -2.550 -27.387 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -27.222 -2.205 -26.073 1.00 0.00 H new ATOM 931 N VAL A 59 -27.028 -4.809 -26.574 1.00 0.00 N ATOM 932 CA VAL A 59 -26.804 -6.239 -26.371 1.00 0.00 C ATOM 933 C VAL A 59 -25.312 -6.552 -26.281 1.00 0.00 C ATOM 934 O VAL A 59 -24.504 -5.986 -27.017 1.00 0.00 O ATOM 935 CB VAL A 59 -27.422 -7.072 -27.509 1.00 0.00 C ATOM 936 CG1 VAL A 59 -27.361 -8.555 -27.179 1.00 0.00 C ATOM 937 CG2 VAL A 59 -28.855 -6.636 -27.774 1.00 0.00 C ATOM 0 H VAL A 59 -26.334 -4.356 -27.168 1.00 0.00 H new ATOM 0 HA VAL A 59 -27.288 -6.506 -25.432 1.00 0.00 H new ATOM 0 HB VAL A 59 -26.842 -6.901 -28.416 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -27.802 -9.128 -27.995 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -26.322 -8.856 -27.045 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -27.915 -8.746 -26.260 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -29.275 -7.236 -28.581 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -29.450 -6.775 -26.872 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -28.868 -5.584 -28.059 1.00 0.00 H new ATOM 947 N LEU A 60 -24.952 -7.449 -25.366 1.00 0.00 N ATOM 948 CA LEU A 60 -23.554 -7.824 -25.174 1.00 0.00 C ATOM 949 C LEU A 60 -23.324 -9.303 -25.466 1.00 0.00 C ATOM 950 O LEU A 60 -24.234 -10.123 -25.342 1.00 0.00 O ATOM 951 CB LEU A 60 -23.110 -7.502 -23.747 1.00 0.00 C ATOM 952 CG LEU A 60 -23.573 -6.145 -23.215 1.00 0.00 C ATOM 953 CD1 LEU A 60 -24.891 -6.286 -22.471 1.00 0.00 C ATOM 954 CD2 LEU A 60 -22.511 -5.535 -22.312 1.00 0.00 C ATOM 0 H LEU A 60 -25.607 -7.928 -24.748 1.00 0.00 H new ATOM 0 HA LEU A 60 -22.958 -7.244 -25.879 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -23.482 -8.282 -23.082 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.021 -7.540 -23.704 1.00 0.00 H new ATOM 0 HG LEU A 60 -23.727 -5.477 -24.063 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -25.205 -5.311 -22.099 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -25.650 -6.679 -23.147 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -24.764 -6.970 -21.632 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -22.858 -4.570 -21.943 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -22.324 -6.200 -21.469 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -21.589 -5.397 -22.876 1.00 0.00 H new ATOM 966 N VAL A 61 -22.094 -9.631 -25.850 1.00 0.00 N ATOM 967 CA VAL A 61 -21.720 -11.006 -26.159 1.00 0.00 C ATOM 968 C VAL A 61 -20.322 -11.315 -25.636 1.00 0.00 C ATOM 969 O VAL A 61 -19.451 -10.446 -25.622 1.00 0.00 O ATOM 970 CB VAL A 61 -21.761 -11.275 -27.675 1.00 0.00 C ATOM 971 CG1 VAL A 61 -21.608 -12.761 -27.959 1.00 0.00 C ATOM 972 CG2 VAL A 61 -23.053 -10.741 -28.278 1.00 0.00 C ATOM 0 H VAL A 61 -21.335 -8.958 -25.955 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.446 -11.654 -25.668 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.926 -10.752 -28.140 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.639 -12.931 -29.035 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.654 -13.111 -27.564 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -22.421 -13.308 -27.481 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -23.064 -10.940 -29.350 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -23.904 -11.234 -27.809 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -23.117 -9.666 -28.108 1.00 0.00 H new ATOM 982 N ALA A 62 -20.112 -12.552 -25.199 1.00 0.00 N ATOM 983 CA ALA A 62 -18.816 -12.962 -24.667 1.00 0.00 C ATOM 984 C ALA A 62 -18.579 -14.458 -24.841 1.00 0.00 C ATOM 985 O ALA A 62 -19.520 -15.250 -24.901 1.00 0.00 O ATOM 986 CB ALA A 62 -18.702 -12.577 -23.200 1.00 0.00 C ATOM 0 H ALA A 62 -20.820 -13.287 -25.202 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.047 -12.439 -25.235 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.731 -12.889 -22.816 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.802 -11.496 -23.099 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.491 -13.070 -22.632 1.00 0.00 H new ATOM 992 N SER A 63 -17.302 -14.826 -24.932 1.00 0.00 N ATOM 993 CA SER A 63 -16.914 -16.220 -25.113 1.00 0.00 C ATOM 994 C SER A 63 -15.616 -16.544 -24.377 1.00 0.00 C ATOM 995 O SER A 63 -14.816 -15.656 -24.082 1.00 0.00 O ATOM 996 CB SER A 63 -16.758 -16.533 -26.603 1.00 0.00 C ATOM 997 OG SER A 63 -17.407 -17.748 -26.940 1.00 0.00 O ATOM 0 H SER A 63 -16.518 -14.175 -24.883 1.00 0.00 H new ATOM 0 HA SER A 63 -17.704 -16.841 -24.690 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.175 -15.718 -27.195 1.00 0.00 H new ATOM 0 HB3 SER A 63 -15.700 -16.600 -26.855 1.00 0.00 H new ATOM 0 HG SER A 63 -17.294 -17.925 -27.897 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.413 -17.829 -24.094 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.211 -18.274 -23.409 1.00 0.00 C ATOM 1005 C GLY A 64 -13.850 -19.698 -23.788 1.00 0.00 C ATOM 1006 O GLY A 64 -14.508 -20.646 -23.357 1.00 0.00 O ATOM 0 H GLY A 64 -16.067 -18.576 -24.330 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.383 -17.610 -23.656 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.360 -18.210 -22.331 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.820 -19.851 -24.614 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.393 -21.173 -25.071 1.00 0.00 C ATOM 1012 C LYS A 65 -11.093 -21.621 -24.411 1.00 0.00 C ATOM 1013 O LYS A 65 -10.203 -22.155 -25.074 1.00 0.00 O ATOM 1014 CB LYS A 65 -12.226 -21.173 -26.593 1.00 0.00 C ATOM 1015 CG LYS A 65 -13.383 -20.519 -27.333 1.00 0.00 C ATOM 1016 CD LYS A 65 -12.890 -19.552 -28.400 1.00 0.00 C ATOM 1017 CE LYS A 65 -13.695 -19.682 -29.683 1.00 0.00 C ATOM 1018 NZ LYS A 65 -13.098 -20.677 -30.616 1.00 0.00 N ATOM 0 H LYS A 65 -12.265 -19.078 -24.981 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.170 -21.881 -24.782 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.302 -20.654 -26.849 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.120 -22.201 -26.938 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.001 -21.288 -27.796 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.016 -19.987 -26.623 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.960 -18.530 -28.027 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.837 -19.744 -28.608 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.716 -19.978 -29.442 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.752 -18.711 -30.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.677 -20.735 -31.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.133 -20.382 -30.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.067 -21.609 -30.156 1.00 0.00 H new ATOM 1032 N HIS A 66 -10.994 -21.430 -23.101 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.805 -21.850 -22.366 1.00 0.00 C ATOM 1034 C HIS A 66 -9.804 -23.365 -22.181 1.00 0.00 C ATOM 1035 O HIS A 66 -10.857 -24.001 -22.218 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.724 -21.158 -21.006 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.350 -21.192 -20.409 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -8.028 -21.940 -19.296 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.206 -20.575 -20.787 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.747 -21.781 -19.015 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.226 -20.957 -19.905 1.00 0.00 N ATOM 0 H HIS A 66 -11.715 -20.991 -22.529 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.931 -21.560 -22.949 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.041 -20.121 -21.114 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.423 -21.636 -20.320 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.086 -19.906 -21.627 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.217 -22.246 -18.197 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.253 -20.653 -19.933 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.622 -23.939 -21.984 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.490 -25.381 -21.795 1.00 0.00 C ATOM 1052 C GLU A 67 -9.282 -25.861 -20.580 1.00 0.00 C ATOM 1053 O GLU A 67 -9.719 -27.011 -20.532 1.00 0.00 O ATOM 1054 CB GLU A 67 -7.009 -25.744 -21.633 1.00 0.00 C ATOM 1055 CG GLU A 67 -6.769 -27.168 -21.152 1.00 0.00 C ATOM 1056 CD GLU A 67 -5.742 -27.902 -21.992 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -4.545 -27.556 -21.904 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -6.134 -28.825 -22.737 1.00 0.00 O ATOM 0 H GLU A 67 -7.740 -23.428 -21.951 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.897 -25.879 -22.675 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.505 -25.605 -22.589 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.551 -25.051 -20.927 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.435 -27.146 -20.115 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.710 -27.718 -21.173 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.449 -24.986 -19.596 1.00 0.00 N ATOM 1066 CA ASP A 68 -10.176 -25.340 -18.380 1.00 0.00 C ATOM 1067 C ASP A 68 -11.623 -24.860 -18.432 1.00 0.00 C ATOM 1068 O ASP A 68 -11.890 -23.663 -18.542 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.474 -24.753 -17.153 1.00 0.00 C ATOM 1070 CG ASP A 68 -9.868 -25.457 -15.870 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -11.083 -25.632 -15.637 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -8.962 -25.835 -15.097 1.00 0.00 O ATOM 0 H ASP A 68 -9.093 -24.030 -19.614 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.185 -26.427 -18.305 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.395 -24.824 -17.287 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.716 -23.693 -17.072 1.00 0.00 H new ATOM 1077 N MET A 69 -12.552 -25.808 -18.347 1.00 0.00 N ATOM 1078 CA MET A 69 -13.981 -25.504 -18.379 1.00 0.00 C ATOM 1079 C MET A 69 -14.332 -24.363 -17.428 1.00 0.00 C ATOM 1080 O MET A 69 -15.057 -23.436 -17.793 1.00 0.00 O ATOM 1081 CB MET A 69 -14.791 -26.749 -18.013 1.00 0.00 C ATOM 1082 CG MET A 69 -16.287 -26.587 -18.229 1.00 0.00 C ATOM 1083 SD MET A 69 -17.267 -27.544 -17.056 1.00 0.00 S ATOM 1084 CE MET A 69 -18.927 -27.097 -17.558 1.00 0.00 C ATOM 0 H MET A 69 -12.339 -26.801 -18.255 1.00 0.00 H new ATOM 0 HA MET A 69 -14.231 -25.190 -19.392 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.436 -27.591 -18.607 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.608 -26.997 -16.967 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.551 -25.533 -18.142 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.539 -26.895 -19.244 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.640 -27.795 -17.119 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.151 -26.086 -17.216 1.00 0.00 H new ATOM 0 HE3 MET A 69 -19.002 -27.137 -18.645 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.822 -24.444 -16.203 1.00 0.00 N ATOM 1095 CA TYR A 70 -14.089 -23.424 -15.194 1.00 0.00 C ATOM 1096 C TYR A 70 -13.459 -22.090 -15.580 1.00 0.00 C ATOM 1097 O TYR A 70 -14.075 -21.036 -15.426 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.563 -23.876 -13.831 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.482 -24.842 -13.117 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -14.537 -26.180 -13.484 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -15.296 -24.413 -12.075 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -15.376 -27.064 -12.834 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -16.137 -25.291 -11.421 1.00 0.00 C ATOM 1104 CZ TYR A 70 -16.174 -26.615 -11.803 1.00 0.00 C ATOM 1105 OH TYR A 70 -17.012 -27.493 -11.154 1.00 0.00 O ATOM 0 H TYR A 70 -13.222 -25.205 -15.885 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.169 -23.287 -15.133 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.589 -24.346 -13.965 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.410 -23.000 -13.201 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -13.913 -26.535 -14.291 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -15.270 -23.377 -11.772 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.407 -28.102 -13.132 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.763 -24.942 -10.613 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.504 -27.018 -10.453 1.00 0.00 H new ATOM 1115 N THR A 71 -12.231 -22.140 -16.083 1.00 0.00 N ATOM 1116 CA THR A 71 -11.529 -20.929 -16.490 1.00 0.00 C ATOM 1117 C THR A 71 -12.233 -20.270 -17.670 1.00 0.00 C ATOM 1118 O THR A 71 -12.309 -19.045 -17.754 1.00 0.00 O ATOM 1119 CB THR A 71 -10.081 -21.250 -16.861 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.421 -21.905 -15.792 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.270 -20.023 -17.218 1.00 0.00 C ATOM 0 H THR A 71 -11.703 -23.002 -16.218 1.00 0.00 H new ATOM 0 HA THR A 71 -11.533 -20.236 -15.649 1.00 0.00 H new ATOM 0 HB THR A 71 -10.144 -21.894 -17.738 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.497 -22.103 -16.050 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.252 -20.320 -17.471 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.725 -19.522 -18.073 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.248 -19.341 -16.368 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.753 -21.091 -18.578 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.459 -20.584 -19.748 1.00 0.00 C ATOM 1131 C ALA A 72 -14.700 -19.802 -19.333 1.00 0.00 C ATOM 1132 O ALA A 72 -14.902 -18.670 -19.771 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.828 -21.725 -20.685 1.00 0.00 C ATOM 0 H ALA A 72 -12.698 -22.108 -18.525 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.794 -19.905 -20.282 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.354 -21.327 -21.553 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.922 -22.235 -21.012 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.473 -22.431 -20.162 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.525 -20.400 -18.480 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.734 -19.733 -18.010 1.00 0.00 C ATOM 1141 C ILE A 73 -16.369 -18.464 -17.245 1.00 0.00 C ATOM 1142 O ILE A 73 -17.007 -17.423 -17.409 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.585 -20.658 -17.116 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -18.110 -21.845 -17.926 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.737 -19.888 -16.486 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -18.048 -23.161 -17.182 1.00 0.00 C ATOM 0 H ILE A 73 -15.381 -21.337 -18.103 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.330 -19.473 -18.885 1.00 0.00 H new ATOM 0 HB ILE A 73 -16.952 -21.038 -16.314 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -19.143 -21.649 -18.215 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.532 -21.930 -18.846 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.324 -20.560 -15.860 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.341 -19.076 -15.876 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.372 -19.476 -17.271 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.436 -23.957 -17.818 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -17.014 -23.381 -16.917 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.649 -23.095 -16.275 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.329 -18.552 -16.426 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.870 -17.404 -15.655 1.00 0.00 C ATOM 1160 C ASN A 74 -14.364 -16.312 -16.593 1.00 0.00 C ATOM 1161 O ASN A 74 -14.636 -15.128 -16.392 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.763 -17.821 -14.683 1.00 0.00 C ATOM 1163 CG ASN A 74 -14.220 -17.789 -13.238 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -15.412 -17.671 -12.955 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -13.271 -17.892 -12.315 1.00 0.00 N ATOM 0 H ASN A 74 -14.788 -19.404 -16.279 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.708 -17.013 -15.078 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.425 -18.827 -14.932 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.907 -17.157 -14.805 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.518 -17.875 -11.325 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.295 -17.988 -12.595 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.635 -16.724 -17.628 1.00 0.00 N ATOM 1173 CA GLU A 75 -13.099 -15.790 -18.611 1.00 0.00 C ATOM 1174 C GLU A 75 -14.228 -15.140 -19.400 1.00 0.00 C ATOM 1175 O GLU A 75 -14.186 -13.945 -19.691 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.133 -16.503 -19.559 1.00 0.00 C ATOM 1177 CG GLU A 75 -10.803 -16.863 -18.917 1.00 0.00 C ATOM 1178 CD GLU A 75 -9.664 -15.989 -19.408 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -9.259 -16.144 -20.579 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -9.178 -15.151 -18.620 1.00 0.00 O ATOM 0 H GLU A 75 -13.403 -17.701 -17.806 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.552 -15.011 -18.080 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.606 -17.413 -19.929 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.949 -15.865 -20.423 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.889 -16.768 -17.835 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.572 -17.907 -19.128 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.248 -15.925 -19.734 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.391 -15.406 -20.471 1.00 0.00 C ATOM 1189 C LEU A 76 -16.988 -14.211 -19.734 1.00 0.00 C ATOM 1190 O LEU A 76 -16.966 -13.088 -20.238 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.441 -16.500 -20.677 1.00 0.00 C ATOM 1192 CG LEU A 76 -18.833 -16.002 -21.078 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.336 -16.750 -22.298 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -19.812 -16.153 -19.923 1.00 0.00 C ATOM 0 H LEU A 76 -15.305 -16.918 -19.507 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.055 -15.075 -21.454 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.083 -17.185 -21.445 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.530 -17.074 -19.755 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.757 -14.944 -21.328 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.326 -16.382 -22.568 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.651 -16.591 -23.131 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.393 -17.815 -22.074 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.794 -15.793 -20.229 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -19.882 -17.203 -19.640 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.462 -15.571 -19.071 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.502 -14.447 -18.531 1.00 0.00 N ATOM 1207 CA ILE A 77 -18.076 -13.370 -17.731 1.00 0.00 C ATOM 1208 C ILE A 77 -17.062 -12.241 -17.558 1.00 0.00 C ATOM 1209 O ILE A 77 -17.440 -11.080 -17.408 1.00 0.00 O ATOM 1210 CB ILE A 77 -18.549 -13.860 -16.348 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -19.472 -15.072 -16.498 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -19.256 -12.739 -15.601 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -19.218 -16.154 -15.471 1.00 0.00 C ATOM 0 H ILE A 77 -17.533 -15.367 -18.091 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.949 -13.001 -18.269 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.676 -14.162 -15.770 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -20.508 -14.742 -16.418 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.347 -15.493 -17.496 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.584 -13.101 -14.627 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.570 -11.903 -15.465 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.122 -12.409 -16.175 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.907 -16.982 -15.637 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.192 -16.511 -15.565 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.371 -15.749 -14.471 1.00 0.00 H new ATOM 1225 N ASN A 78 -15.775 -12.577 -17.618 1.00 0.00 N ATOM 1226 CA ASN A 78 -14.728 -11.573 -17.507 1.00 0.00 C ATOM 1227 C ASN A 78 -14.894 -10.546 -18.624 1.00 0.00 C ATOM 1228 O ASN A 78 -14.742 -9.342 -18.418 1.00 0.00 O ATOM 1229 CB ASN A 78 -13.345 -12.241 -17.569 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.451 -11.691 -18.669 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -12.155 -10.497 -18.706 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -12.014 -12.565 -19.569 1.00 0.00 N ATOM 0 H ASN A 78 -15.437 -13.531 -17.742 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.809 -11.062 -16.548 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.846 -12.113 -16.609 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.475 -13.313 -17.720 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.408 -12.255 -20.329 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.284 -13.546 -19.500 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.233 -11.053 -19.805 1.00 0.00 N ATOM 1240 CA LYS A 79 -15.459 -10.217 -20.980 1.00 0.00 C ATOM 1241 C LYS A 79 -16.784 -9.485 -20.856 1.00 0.00 C ATOM 1242 O LYS A 79 -16.914 -8.355 -21.324 1.00 0.00 O ATOM 1243 CB LYS A 79 -15.430 -11.046 -22.262 1.00 0.00 C ATOM 1244 CG LYS A 79 -14.033 -11.375 -22.772 1.00 0.00 C ATOM 1245 CD LYS A 79 -12.953 -10.494 -22.157 1.00 0.00 C ATOM 1246 CE LYS A 79 -11.589 -10.779 -22.762 1.00 0.00 C ATOM 1247 NZ LYS A 79 -11.324 -12.242 -22.870 1.00 0.00 N ATOM 0 H LYS A 79 -15.359 -12.051 -19.975 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.653 -9.486 -21.034 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.968 -11.978 -22.089 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.969 -10.506 -23.041 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.809 -12.420 -22.555 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.012 -11.263 -23.856 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.208 -9.445 -22.309 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.916 -10.660 -21.080 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.528 -10.325 -23.751 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.816 -10.314 -22.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.314 -12.425 -22.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.890 -12.751 -22.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.583 -12.572 -23.822 1.00 0.00 H new ATOM 1261 N LEU A 80 -17.756 -10.097 -20.190 1.00 0.00 N ATOM 1262 CA LEU A 80 -19.036 -9.436 -19.985 1.00 0.00 C ATOM 1263 C LEU A 80 -18.788 -8.191 -19.146 1.00 0.00 C ATOM 1264 O LEU A 80 -19.233 -7.092 -19.479 1.00 0.00 O ATOM 1265 CB LEU A 80 -20.028 -10.368 -19.286 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.536 -11.531 -20.139 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -21.391 -12.472 -19.305 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -21.322 -11.012 -21.333 1.00 0.00 C ATOM 0 H LEU A 80 -17.684 -11.032 -19.790 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.473 -9.164 -20.946 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.554 -10.773 -18.392 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -20.884 -9.780 -18.954 1.00 0.00 H new ATOM 0 HG LEU A 80 -19.675 -12.088 -20.509 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.743 -13.293 -19.929 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.797 -12.870 -18.482 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.246 -11.928 -18.905 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -21.676 -11.853 -21.929 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -22.175 -10.431 -20.982 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.679 -10.379 -21.945 1.00 0.00 H new ATOM 1280 N GLU A 81 -18.026 -8.383 -18.075 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.641 -7.304 -17.185 1.00 0.00 C ATOM 1282 C GLU A 81 -16.840 -6.255 -17.942 1.00 0.00 C ATOM 1283 O GLU A 81 -17.082 -5.054 -17.814 1.00 0.00 O ATOM 1284 CB GLU A 81 -16.805 -7.872 -16.047 1.00 0.00 C ATOM 1285 CG GLU A 81 -16.994 -7.147 -14.727 1.00 0.00 C ATOM 1286 CD GLU A 81 -15.939 -7.513 -13.703 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -15.825 -8.711 -13.370 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -15.227 -6.601 -13.232 1.00 0.00 O ATOM 0 H GLU A 81 -17.659 -9.295 -17.803 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.537 -6.831 -16.783 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.058 -8.924 -15.913 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.752 -7.830 -16.326 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.968 -6.071 -14.901 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -17.980 -7.381 -14.326 1.00 0.00 H new ATOM 1295 N ARG A 82 -15.880 -6.722 -18.729 1.00 0.00 N ATOM 1296 CA ARG A 82 -15.028 -5.838 -19.514 1.00 0.00 C ATOM 1297 C ARG A 82 -15.852 -5.067 -20.545 1.00 0.00 C ATOM 1298 O ARG A 82 -15.523 -3.932 -20.891 1.00 0.00 O ATOM 1299 CB ARG A 82 -13.906 -6.658 -20.177 1.00 0.00 C ATOM 1300 CG ARG A 82 -13.729 -6.433 -21.673 1.00 0.00 C ATOM 1301 CD ARG A 82 -12.587 -5.473 -21.962 1.00 0.00 C ATOM 1302 NE ARG A 82 -12.702 -4.869 -23.288 1.00 0.00 N ATOM 1303 CZ ARG A 82 -12.506 -5.532 -24.424 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -12.185 -6.820 -24.404 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -12.634 -4.907 -25.587 1.00 0.00 N ATOM 0 H ARG A 82 -15.671 -7.714 -18.841 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.569 -5.100 -18.856 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.965 -6.425 -19.678 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.103 -7.716 -20.007 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.537 -7.387 -22.165 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.653 -6.037 -22.094 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -12.573 -4.688 -21.206 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.638 -6.005 -21.887 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.947 -3.881 -23.345 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.087 -7.307 -23.513 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.036 -7.322 -25.279 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.883 -3.918 -25.610 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.484 -5.415 -26.458 1.00 0.00 H new ATOM 1319 N GLN A 83 -16.923 -5.687 -21.027 1.00 0.00 N ATOM 1320 CA GLN A 83 -17.793 -5.053 -22.011 1.00 0.00 C ATOM 1321 C GLN A 83 -18.657 -3.988 -21.349 1.00 0.00 C ATOM 1322 O GLN A 83 -18.799 -2.879 -21.863 1.00 0.00 O ATOM 1323 CB GLN A 83 -18.683 -6.098 -22.686 1.00 0.00 C ATOM 1324 CG GLN A 83 -17.997 -6.845 -23.818 1.00 0.00 C ATOM 1325 CD GLN A 83 -18.819 -8.015 -24.323 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -19.385 -7.967 -25.416 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -18.890 -9.075 -23.526 1.00 0.00 N ATOM 0 H GLN A 83 -17.210 -6.627 -20.753 1.00 0.00 H new ATOM 0 HA GLN A 83 -17.167 -4.579 -22.767 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -19.016 -6.817 -21.937 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.575 -5.606 -23.075 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.807 -6.156 -24.641 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.028 -7.207 -23.475 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -18.405 -9.072 -22.629 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -19.429 -9.892 -23.811 1.00 0.00 H new ATOM 1336 N LEU A 84 -19.228 -4.334 -20.202 1.00 0.00 N ATOM 1337 CA LEU A 84 -20.074 -3.411 -19.459 1.00 0.00 C ATOM 1338 C LEU A 84 -19.265 -2.219 -18.953 1.00 0.00 C ATOM 1339 O LEU A 84 -19.805 -1.134 -18.745 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.734 -4.134 -18.285 1.00 0.00 C ATOM 1341 CG LEU A 84 -21.745 -5.216 -18.676 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -21.440 -6.521 -17.955 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -23.164 -4.758 -18.371 1.00 0.00 C ATOM 0 H LEU A 84 -19.120 -5.250 -19.766 1.00 0.00 H new ATOM 0 HA LEU A 84 -20.848 -3.039 -20.130 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.955 -4.590 -17.674 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -21.238 -3.396 -17.660 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.662 -5.389 -19.749 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.169 -7.277 -18.246 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.439 -6.860 -18.224 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.492 -6.362 -16.878 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -23.868 -5.540 -18.656 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -23.259 -4.555 -17.304 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -23.382 -3.851 -18.934 1.00 0.00 H new ATOM 1355 N ASN A 85 -17.964 -2.429 -18.763 1.00 0.00 N ATOM 1356 CA ASN A 85 -17.079 -1.372 -18.290 1.00 0.00 C ATOM 1357 C ASN A 85 -17.033 -0.230 -19.296 1.00 0.00 C ATOM 1358 O ASN A 85 -16.877 0.935 -18.928 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.670 -1.922 -18.060 1.00 0.00 C ATOM 1360 CG ASN A 85 -14.819 -0.998 -17.212 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -15.312 -0.360 -16.282 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -13.531 -0.919 -17.530 1.00 0.00 N ATOM 0 H ASN A 85 -17.501 -3.323 -18.930 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.468 -0.993 -17.345 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.738 -2.896 -17.575 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.183 -2.079 -19.022 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.910 -0.312 -16.995 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.164 -1.465 -18.309 1.00 0.00 H new ATOM 1369 N LYS A 86 -17.174 -0.577 -20.571 1.00 0.00 N ATOM 1370 CA LYS A 86 -17.153 0.409 -21.642 1.00 0.00 C ATOM 1371 C LYS A 86 -18.442 1.229 -21.665 1.00 0.00 C ATOM 1372 O LYS A 86 -18.483 2.320 -22.233 1.00 0.00 O ATOM 1373 CB LYS A 86 -16.949 -0.283 -22.991 1.00 0.00 C ATOM 1374 CG LYS A 86 -15.488 -0.518 -23.339 1.00 0.00 C ATOM 1375 CD LYS A 86 -15.147 0.017 -24.720 1.00 0.00 C ATOM 1376 CE LYS A 86 -15.217 -1.075 -25.775 1.00 0.00 C ATOM 1377 NZ LYS A 86 -13.876 -1.651 -26.068 1.00 0.00 N ATOM 0 H LYS A 86 -17.304 -1.538 -20.887 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.322 1.089 -21.457 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.470 -1.240 -22.981 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.408 0.322 -23.773 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.854 -0.035 -22.595 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.271 -1.585 -23.298 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.836 0.820 -24.980 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.146 0.448 -24.707 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.885 -1.866 -25.435 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.645 -0.668 -26.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.967 -2.392 -26.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.245 -0.902 -26.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.478 -2.063 -25.200 1.00 0.00 H new