USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 967 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 60 ASN : amide:sc= 0.21 K(o=0.33,f=-1.5) USER MOD Set 1.2: A 62 THR OG1 : rot 21:sc= 0.116 USER MOD Set 2.1: A 36 MET CE :methyl -116:sc= 0 (180deg=-0.118) USER MOD Set 2.2: A 41 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 5 THR OG1 : rot -27:sc= 0.0246 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0159) USER MOD Single : A 26 THR OG1 : rot 100:sc= 0.853 USER MOD Single : A 28 THR OG1 : rot -75:sc= 0.849 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.2) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 63:sc= 0.498 USER MOD Single : A 42 ASN : amide:sc= 1.23 K(o=1.2,f=-0.0097) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.761 K(o=0.76,f=-0.22) USER MOD Single : A 51 MET CE :methyl -170:sc= -0.0284 (180deg=-0.154) USER MOD Single : A 53 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.68) USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.51 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -135:sc= -0.98 (180deg=-3.49!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.829 K(o=-0.83,f=-1.4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 151:sc= -0.0386 (180deg=-0.214) USER MOD Single : A 110 THR OG1 : rot 99:sc= 1.15 USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 115 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0437) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 137 ASN : amide:sc= 0.443 K(o=0.44,f=-9.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc=-0.00355 K(o=-0.0035,f=-0.85) USER MOD Single : A 144 MET CE :methyl -143:sc=-0.00283 (180deg=-0.227) USER MOD Single : A 145 MET CE :methyl -175:sc= -0.0125 (180deg=-0.0673) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.105 15.217 1.007 1.00 0.00 N ATOM 59 CA THR A 5 -12.577 16.506 0.605 1.00 0.00 C ATOM 60 C THR A 5 -13.861 16.297 -0.121 1.00 0.00 C ATOM 61 O THR A 5 -14.168 15.160 -0.477 1.00 0.00 O ATOM 62 CB THR A 5 -11.642 17.396 -0.159 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.160 16.740 -1.323 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.419 17.606 0.749 1.00 0.00 C ATOM 0 HA THR A 5 -12.694 17.081 1.523 1.00 0.00 H new ATOM 0 HB THR A 5 -12.154 18.316 -0.440 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.160 15.771 -1.176 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.698 18.250 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.734 18.074 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.957 16.643 0.965 1.00 0.00 H new ATOM 72 N GLU A 6 -14.722 17.269 -0.470 1.00 0.00 N ATOM 73 CA GLU A 6 -15.984 16.904 -1.038 1.00 0.00 C ATOM 74 C GLU A 6 -15.855 16.547 -2.478 1.00 0.00 C ATOM 75 O GLU A 6 -16.694 15.820 -3.009 1.00 0.00 O ATOM 76 CB GLU A 6 -16.939 18.107 -0.951 1.00 0.00 C ATOM 77 CG GLU A 6 -17.254 18.572 0.472 1.00 0.00 C ATOM 78 CD GLU A 6 -18.317 19.641 0.688 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.502 19.268 0.480 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.878 20.803 0.897 1.00 0.00 O ATOM 0 H GLU A 6 -14.556 18.270 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.359 16.044 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.503 18.940 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.873 17.849 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.551 17.694 1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.326 18.940 0.910 1.00 0.00 H new ATOM 87 N GLU A 7 -14.759 16.991 -3.118 1.00 0.00 N ATOM 88 CA GLU A 7 -14.333 16.530 -4.404 1.00 0.00 C ATOM 89 C GLU A 7 -14.067 15.064 -4.419 1.00 0.00 C ATOM 90 O GLU A 7 -14.614 14.349 -5.257 1.00 0.00 O ATOM 91 CB GLU A 7 -13.052 17.280 -4.806 1.00 0.00 C ATOM 92 CG GLU A 7 -13.200 18.792 -4.989 1.00 0.00 C ATOM 93 CD GLU A 7 -11.890 19.521 -4.721 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.128 19.522 -5.724 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.575 20.099 -3.647 1.00 0.00 O ATOM 0 H GLU A 7 -14.143 17.702 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.138 16.726 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.292 17.097 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.681 16.854 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.534 19.005 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.970 19.167 -4.315 1.00 0.00 H new ATOM 102 N GLN A 8 -13.376 14.486 -3.421 1.00 0.00 N ATOM 103 CA GLN A 8 -13.023 13.110 -3.256 1.00 0.00 C ATOM 104 C GLN A 8 -14.262 12.334 -2.968 1.00 0.00 C ATOM 105 O GLN A 8 -14.492 11.269 -3.538 1.00 0.00 O ATOM 106 CB GLN A 8 -11.845 12.962 -2.277 1.00 0.00 C ATOM 107 CG GLN A 8 -10.554 13.612 -2.779 1.00 0.00 C ATOM 108 CD GLN A 8 -9.545 13.643 -1.640 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.724 13.798 -0.433 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.276 13.449 -2.090 1.00 0.00 N ATOM 0 H GLN A 8 -13.027 15.048 -2.645 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.623 12.669 -4.169 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.119 13.407 -1.320 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.663 11.903 -2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.153 13.051 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.754 14.623 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.103 13.318 -3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.498 13.434 -1.431 1.00 0.00 H new ATOM 119 N ILE A 9 -15.207 12.866 -2.173 1.00 0.00 N ATOM 120 CA ILE A 9 -16.477 12.343 -1.776 1.00 0.00 C ATOM 121 C ILE A 9 -17.474 12.189 -2.873 1.00 0.00 C ATOM 122 O ILE A 9 -18.356 11.332 -2.870 1.00 0.00 O ATOM 123 CB ILE A 9 -16.943 13.089 -0.561 1.00 0.00 C ATOM 124 CG1 ILE A 9 -15.993 12.880 0.630 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.376 12.669 -0.193 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.259 13.707 1.887 1.00 0.00 C ATOM 0 H ILE A 9 -15.055 13.784 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.351 11.297 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.939 14.152 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.024 11.826 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.978 13.092 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.701 13.219 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.045 12.891 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.399 11.599 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.517 13.462 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.194 14.768 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.256 13.482 2.266 1.00 0.00 H new ATOM 138 N ALA A 10 -17.424 13.086 -3.874 1.00 0.00 N ATOM 139 CA ALA A 10 -18.234 12.961 -5.046 1.00 0.00 C ATOM 140 C ALA A 10 -17.923 11.724 -5.816 1.00 0.00 C ATOM 141 O ALA A 10 -18.842 11.091 -6.333 1.00 0.00 O ATOM 142 CB ALA A 10 -17.941 14.037 -6.107 1.00 0.00 C ATOM 0 H ALA A 10 -16.816 13.905 -3.871 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.245 13.007 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.590 13.884 -6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.126 15.025 -5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.899 13.966 -6.420 1.00 0.00 H new ATOM 148 N GLU A 11 -16.632 11.365 -5.932 1.00 0.00 N ATOM 149 CA GLU A 11 -16.345 10.134 -6.601 1.00 0.00 C ATOM 150 C GLU A 11 -16.849 8.933 -5.878 1.00 0.00 C ATOM 151 O GLU A 11 -17.464 8.036 -6.453 1.00 0.00 O ATOM 152 CB GLU A 11 -14.839 10.112 -6.910 1.00 0.00 C ATOM 153 CG GLU A 11 -14.351 11.262 -7.794 1.00 0.00 C ATOM 154 CD GLU A 11 -12.841 11.110 -7.909 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.235 11.566 -6.903 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.308 10.832 -9.017 1.00 0.00 O ATOM 0 H GLU A 11 -15.829 11.890 -5.586 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.895 10.084 -7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.289 10.136 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.596 9.168 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.821 11.222 -8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.611 12.225 -7.356 1.00 0.00 H new ATOM 163 N PHE A 12 -16.624 8.880 -4.553 1.00 0.00 N ATOM 164 CA PHE A 12 -16.940 7.811 -3.656 1.00 0.00 C ATOM 165 C PHE A 12 -18.402 7.552 -3.527 1.00 0.00 C ATOM 166 O PHE A 12 -18.904 6.431 -3.582 1.00 0.00 O ATOM 167 CB PHE A 12 -16.348 7.994 -2.249 1.00 0.00 C ATOM 168 CG PHE A 12 -14.859 8.031 -2.204 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.004 7.461 -3.119 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.367 8.928 -1.285 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.655 7.532 -2.864 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.025 9.219 -1.215 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.167 8.436 -1.950 1.00 0.00 C ATOM 0 H PHE A 12 -16.180 9.659 -4.066 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.471 6.946 -4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.735 8.920 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.698 7.181 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.380 6.975 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.049 9.414 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.975 6.874 -3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.659 10.032 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.101 8.532 -1.808 1.00 0.00 H new ATOM 183 N LYS A 13 -19.203 8.629 -3.450 1.00 0.00 N ATOM 184 CA LYS A 13 -20.632 8.578 -3.413 1.00 0.00 C ATOM 185 C LYS A 13 -21.229 8.020 -4.660 1.00 0.00 C ATOM 186 O LYS A 13 -22.196 7.265 -4.574 1.00 0.00 O ATOM 187 CB LYS A 13 -21.073 10.036 -3.208 1.00 0.00 C ATOM 188 CG LYS A 13 -22.581 10.202 -3.008 1.00 0.00 C ATOM 189 CD LYS A 13 -23.181 11.600 -2.843 1.00 0.00 C ATOM 190 CE LYS A 13 -23.021 12.076 -1.398 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.516 13.470 -1.398 1.00 0.00 N ATOM 0 H LYS A 13 -18.837 9.580 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.972 7.913 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.554 10.445 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.763 10.624 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.074 9.736 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.857 9.625 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.688 12.298 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.237 11.585 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.595 11.453 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -21.980 12.027 -1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.438 13.866 -0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -22.947 14.040 -2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.511 13.485 -1.699 1.00 0.00 H new ATOM 205 N GLU A 14 -20.631 8.262 -5.840 1.00 0.00 N ATOM 206 CA GLU A 14 -21.118 7.800 -7.103 1.00 0.00 C ATOM 207 C GLU A 14 -20.724 6.375 -7.284 1.00 0.00 C ATOM 208 O GLU A 14 -21.505 5.562 -7.777 1.00 0.00 O ATOM 209 CB GLU A 14 -20.459 8.606 -8.236 1.00 0.00 C ATOM 210 CG GLU A 14 -21.207 8.528 -9.569 1.00 0.00 C ATOM 211 CD GLU A 14 -22.558 9.192 -9.346 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.709 10.204 -8.609 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.491 8.507 -9.843 1.00 0.00 O ATOM 0 H GLU A 14 -19.770 8.804 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.202 7.915 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.387 9.650 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.441 8.245 -8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.650 9.036 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.331 7.492 -9.884 1.00 0.00 H new ATOM 220 N ALA A 15 -19.506 5.996 -6.857 1.00 0.00 N ATOM 221 CA ALA A 15 -18.995 4.668 -7.000 1.00 0.00 C ATOM 222 C ALA A 15 -19.711 3.754 -6.067 1.00 0.00 C ATOM 223 O ALA A 15 -19.938 2.594 -6.407 1.00 0.00 O ATOM 224 CB ALA A 15 -17.469 4.742 -6.818 1.00 0.00 C ATOM 0 H ALA A 15 -18.856 6.634 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.175 4.243 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.042 3.745 -6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.044 5.399 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.239 5.135 -5.828 1.00 0.00 H new ATOM 230 N PHE A 16 -20.068 4.151 -4.832 1.00 0.00 N ATOM 231 CA PHE A 16 -20.836 3.416 -3.875 1.00 0.00 C ATOM 232 C PHE A 16 -22.075 2.827 -4.458 1.00 0.00 C ATOM 233 O PHE A 16 -22.274 1.624 -4.295 1.00 0.00 O ATOM 234 CB PHE A 16 -21.287 4.342 -2.733 1.00 0.00 C ATOM 235 CG PHE A 16 -21.963 3.597 -1.634 1.00 0.00 C ATOM 236 CD1 PHE A 16 -21.280 2.787 -0.758 1.00 0.00 C ATOM 237 CD2 PHE A 16 -23.310 3.817 -1.460 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.944 2.308 0.347 1.00 0.00 C ATOM 239 CE2 PHE A 16 -24.011 3.186 -0.460 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.280 2.576 0.532 1.00 0.00 C ATOM 0 H PHE A 16 -19.794 5.066 -4.474 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.184 2.616 -3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.421 4.869 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.966 5.098 -3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.245 2.533 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.826 4.498 -2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.411 1.716 1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -25.091 3.170 -0.454 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.758 2.306 1.462 1.00 0.00 H new ATOM 250 N SER A 17 -22.900 3.667 -5.107 1.00 0.00 N ATOM 251 CA SER A 17 -24.146 3.297 -5.705 1.00 0.00 C ATOM 252 C SER A 17 -23.999 2.678 -7.052 1.00 0.00 C ATOM 253 O SER A 17 -24.934 2.041 -7.534 1.00 0.00 O ATOM 254 CB SER A 17 -25.201 4.400 -5.895 1.00 0.00 C ATOM 255 OG SER A 17 -25.610 4.942 -4.648 1.00 0.00 O ATOM 0 H SER A 17 -22.686 4.658 -5.221 1.00 0.00 H new ATOM 0 HA SER A 17 -24.499 2.599 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.793 5.193 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 17 -26.066 3.993 -6.418 1.00 0.00 H new ATOM 0 HG SER A 17 -26.279 5.642 -4.799 1.00 0.00 H new ATOM 261 N LEU A 18 -22.837 2.851 -7.707 1.00 0.00 N ATOM 262 CA LEU A 18 -22.300 1.937 -8.666 1.00 0.00 C ATOM 263 C LEU A 18 -22.118 0.549 -8.156 1.00 0.00 C ATOM 264 O LEU A 18 -22.358 -0.415 -8.881 1.00 0.00 O ATOM 265 CB LEU A 18 -20.993 2.338 -9.371 1.00 0.00 C ATOM 266 CG LEU A 18 -20.920 2.265 -10.906 1.00 0.00 C ATOM 267 CD1 LEU A 18 -22.021 3.093 -11.589 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.542 2.799 -11.330 1.00 0.00 C ATOM 0 H LEU A 18 -22.244 3.668 -7.560 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.097 1.979 -9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.763 3.363 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.198 1.707 -8.974 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.067 1.230 -11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -21.923 3.006 -12.671 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -22.999 2.722 -11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -21.923 4.139 -11.298 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.456 2.761 -12.416 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.432 3.830 -10.993 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.760 2.185 -10.882 1.00 0.00 H new ATOM 280 N PHE A 19 -21.613 0.421 -6.916 1.00 0.00 N ATOM 281 CA PHE A 19 -21.202 -0.822 -6.342 1.00 0.00 C ATOM 282 C PHE A 19 -22.293 -1.603 -5.694 1.00 0.00 C ATOM 283 O PHE A 19 -22.340 -2.827 -5.811 1.00 0.00 O ATOM 284 CB PHE A 19 -20.011 -0.736 -5.374 1.00 0.00 C ATOM 285 CG PHE A 19 -18.821 -0.145 -6.049 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.422 -0.487 -7.320 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.929 0.620 -5.334 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.218 -0.085 -7.848 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.694 1.005 -5.798 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.326 0.604 -7.061 1.00 0.00 C ATOM 0 H PHE A 19 -21.486 1.215 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.874 -1.360 -7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.282 -0.130 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.767 -1.731 -5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.079 -1.094 -7.926 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.218 0.939 -4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.974 -0.309 -8.876 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.033 1.604 -5.189 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.338 0.830 -7.434 1.00 0.00 H new ATOM 300 N ASP A 20 -23.263 -0.913 -5.069 1.00 0.00 N ATOM 301 CA ASP A 20 -24.578 -1.357 -4.725 1.00 0.00 C ATOM 302 C ASP A 20 -25.317 -1.940 -5.880 1.00 0.00 C ATOM 303 O ASP A 20 -25.692 -1.248 -6.825 1.00 0.00 O ATOM 304 CB ASP A 20 -25.353 -0.241 -4.003 1.00 0.00 C ATOM 305 CG ASP A 20 -26.478 -0.627 -3.053 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.858 -1.827 -3.010 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.018 0.287 -2.374 1.00 0.00 O ATOM 0 H ASP A 20 -23.108 0.052 -4.776 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.475 -2.185 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.632 0.350 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.775 0.414 -4.765 1.00 0.00 H new ATOM 312 N LYS A 21 -25.585 -3.257 -5.898 1.00 0.00 N ATOM 313 CA LYS A 21 -26.002 -4.010 -7.040 1.00 0.00 C ATOM 314 C LYS A 21 -27.480 -4.161 -7.153 1.00 0.00 C ATOM 315 O LYS A 21 -27.955 -4.139 -8.288 1.00 0.00 O ATOM 316 CB LYS A 21 -25.321 -5.389 -7.071 1.00 0.00 C ATOM 317 CG LYS A 21 -25.224 -6.080 -8.433 1.00 0.00 C ATOM 318 CD LYS A 21 -24.349 -7.334 -8.369 1.00 0.00 C ATOM 319 CE LYS A 21 -24.660 -8.390 -9.432 1.00 0.00 C ATOM 320 NZ LYS A 21 -24.312 -7.812 -10.749 1.00 0.00 N ATOM 0 H LYS A 21 -25.505 -3.833 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.684 -3.429 -7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.312 -5.279 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.861 -6.050 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.223 -6.350 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.812 -5.386 -9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -23.305 -7.037 -8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.460 -7.787 -7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -24.087 -9.299 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.714 -8.666 -9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.448 -8.529 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.925 -6.994 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.318 -7.506 -10.742 1.00 0.00 H new ATOM 334 N ASP A 22 -28.195 -4.081 -6.017 1.00 0.00 N ATOM 335 CA ASP A 22 -29.617 -3.942 -5.954 1.00 0.00 C ATOM 336 C ASP A 22 -29.927 -2.493 -5.798 1.00 0.00 C ATOM 337 O ASP A 22 -30.487 -1.849 -6.685 1.00 0.00 O ATOM 338 CB ASP A 22 -30.291 -4.845 -4.908 1.00 0.00 C ATOM 339 CG ASP A 22 -29.300 -5.340 -3.865 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.673 -4.447 -3.234 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.204 -6.582 -3.677 1.00 0.00 O ATOM 0 H ASP A 22 -27.759 -4.115 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.054 -4.304 -6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.092 -4.295 -4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.750 -5.699 -5.407 1.00 0.00 H new ATOM 346 N GLY A 23 -29.507 -1.886 -4.674 1.00 0.00 N ATOM 347 CA GLY A 23 -29.705 -0.482 -4.490 1.00 0.00 C ATOM 348 C GLY A 23 -30.478 -0.066 -3.286 1.00 0.00 C ATOM 349 O GLY A 23 -31.293 0.854 -3.243 1.00 0.00 O ATOM 0 H GLY A 23 -29.037 -2.359 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.727 -0.003 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.213 -0.092 -5.372 1.00 0.00 H new ATOM 353 N ASP A 24 -30.123 -0.628 -2.117 1.00 0.00 N ATOM 354 CA ASP A 24 -30.834 -0.414 -0.895 1.00 0.00 C ATOM 355 C ASP A 24 -30.112 0.611 -0.090 1.00 0.00 C ATOM 356 O ASP A 24 -30.603 1.174 0.887 1.00 0.00 O ATOM 357 CB ASP A 24 -31.098 -1.677 -0.057 1.00 0.00 C ATOM 358 CG ASP A 24 -29.817 -2.435 0.257 1.00 0.00 C ATOM 359 OD1 ASP A 24 -29.204 -2.936 -0.724 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.442 -2.677 1.435 1.00 0.00 O ATOM 0 H ASP A 24 -29.319 -1.248 -2.019 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.828 -0.067 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.590 -1.397 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.783 -2.332 -0.595 1.00 0.00 H new ATOM 365 N GLY A 25 -28.898 1.028 -0.490 1.00 0.00 N ATOM 366 CA GLY A 25 -28.047 1.982 0.151 1.00 0.00 C ATOM 367 C GLY A 25 -26.912 1.362 0.891 1.00 0.00 C ATOM 368 O GLY A 25 -26.358 2.079 1.723 1.00 0.00 O ATOM 0 H GLY A 25 -28.474 0.662 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.651 2.666 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.640 2.578 0.844 1.00 0.00 H new ATOM 372 N THR A 26 -26.518 0.107 0.608 1.00 0.00 N ATOM 373 CA THR A 26 -25.630 -0.679 1.407 1.00 0.00 C ATOM 374 C THR A 26 -24.869 -1.659 0.581 1.00 0.00 C ATOM 375 O THR A 26 -25.460 -2.377 -0.223 1.00 0.00 O ATOM 376 CB THR A 26 -26.314 -1.476 2.477 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.598 -0.964 2.801 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.537 -1.420 3.804 1.00 0.00 C ATOM 0 H THR A 26 -26.838 -0.386 -0.226 1.00 0.00 H new ATOM 0 HA THR A 26 -24.975 0.060 1.868 1.00 0.00 H new ATOM 0 HB THR A 26 -26.376 -2.484 2.068 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.286 -1.496 2.349 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.061 -2.008 4.557 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.536 -1.827 3.657 1.00 0.00 H new ATOM 0 HG23 THR A 26 -25.463 -0.385 4.139 1.00 0.00 H new ATOM 386 N ILE A 27 -23.556 -1.851 0.802 1.00 0.00 N ATOM 387 CA ILE A 27 -22.720 -2.745 0.064 1.00 0.00 C ATOM 388 C ILE A 27 -22.408 -3.935 0.905 1.00 0.00 C ATOM 389 O ILE A 27 -22.009 -3.829 2.064 1.00 0.00 O ATOM 390 CB ILE A 27 -21.536 -2.189 -0.670 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.458 -1.514 0.195 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.997 -1.388 -1.900 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.075 -1.552 -0.453 1.00 0.00 C ATOM 0 H ILE A 27 -23.051 -1.355 1.536 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.323 -3.033 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.971 -3.046 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.741 -0.477 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.414 -2.008 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -21.127 -0.991 -2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -22.556 -2.041 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.635 -0.564 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.353 -1.062 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.776 -2.588 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.108 -1.033 -1.411 1.00 0.00 H new ATOM 405 N THR A 28 -22.696 -5.105 0.307 1.00 0.00 N ATOM 406 CA THR A 28 -22.644 -6.384 0.945 1.00 0.00 C ATOM 407 C THR A 28 -21.337 -7.045 0.670 1.00 0.00 C ATOM 408 O THR A 28 -20.459 -6.462 0.035 1.00 0.00 O ATOM 409 CB THR A 28 -23.708 -7.363 0.549 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.759 -7.387 -0.870 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.038 -6.754 1.026 1.00 0.00 C ATOM 0 H THR A 28 -22.979 -5.161 -0.671 1.00 0.00 H new ATOM 0 HA THR A 28 -22.798 -6.146 1.997 1.00 0.00 H new ATOM 0 HB THR A 28 -23.525 -8.356 0.958 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.198 -6.573 -1.195 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.858 -7.423 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.009 -6.618 2.107 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.190 -5.789 0.543 1.00 0.00 H new ATOM 419 N THR A 29 -21.127 -8.298 1.109 1.00 0.00 N ATOM 420 CA THR A 29 -20.032 -9.172 0.823 1.00 0.00 C ATOM 421 C THR A 29 -19.907 -9.374 -0.648 1.00 0.00 C ATOM 422 O THR A 29 -18.863 -9.194 -1.272 1.00 0.00 O ATOM 423 CB THR A 29 -20.123 -10.518 1.480 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.479 -10.934 1.549 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.506 -10.445 2.886 1.00 0.00 C ATOM 0 H THR A 29 -21.800 -8.745 1.732 1.00 0.00 H new ATOM 0 HA THR A 29 -19.155 -8.674 1.236 1.00 0.00 H new ATOM 0 HB THR A 29 -19.570 -11.249 0.890 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.530 -11.814 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.572 -11.423 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.460 -10.148 2.809 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.048 -9.712 3.484 1.00 0.00 H new ATOM 433 N LYS A 30 -21.091 -9.622 -1.237 1.00 0.00 N ATOM 434 CA LYS A 30 -21.319 -9.792 -2.638 1.00 0.00 C ATOM 435 C LYS A 30 -20.923 -8.613 -3.459 1.00 0.00 C ATOM 436 O LYS A 30 -20.237 -8.808 -4.461 1.00 0.00 O ATOM 437 CB LYS A 30 -22.793 -10.182 -2.836 1.00 0.00 C ATOM 438 CG LYS A 30 -23.512 -11.127 -1.871 1.00 0.00 C ATOM 439 CD LYS A 30 -22.862 -12.510 -1.797 1.00 0.00 C ATOM 440 CE LYS A 30 -23.869 -13.661 -1.743 1.00 0.00 C ATOM 441 NZ LYS A 30 -23.152 -14.914 -2.068 1.00 0.00 N ATOM 0 H LYS A 30 -21.950 -9.710 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.671 -10.589 -3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.365 -9.254 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.872 -10.625 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.523 -10.683 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.551 -11.236 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -22.216 -12.645 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.224 -12.555 -0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.320 -13.726 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.680 -13.491 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -23.792 -15.724 -1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.828 -14.883 -3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -22.331 -15.018 -1.438 1.00 0.00 H new ATOM 455 N GLU A 31 -21.217 -7.376 -3.019 1.00 0.00 N ATOM 456 CA GLU A 31 -20.942 -6.178 -3.749 1.00 0.00 C ATOM 457 C GLU A 31 -19.531 -5.710 -3.658 1.00 0.00 C ATOM 458 O GLU A 31 -18.871 -5.282 -4.603 1.00 0.00 O ATOM 459 CB GLU A 31 -21.930 -5.077 -3.326 1.00 0.00 C ATOM 460 CG GLU A 31 -23.358 -5.462 -3.717 1.00 0.00 C ATOM 461 CD GLU A 31 -24.539 -4.915 -2.928 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.621 -4.901 -1.670 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.542 -4.637 -3.638 1.00 0.00 O ATOM 0 H GLU A 31 -21.664 -7.204 -2.119 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.083 -6.417 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.871 -4.921 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.658 -4.134 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.499 -5.168 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.421 -6.550 -3.682 1.00 0.00 H new ATOM 470 N LEU A 32 -18.844 -5.872 -2.512 1.00 0.00 N ATOM 471 CA LEU A 32 -17.438 -5.616 -2.471 1.00 0.00 C ATOM 472 C LEU A 32 -16.687 -6.724 -3.127 1.00 0.00 C ATOM 473 O LEU A 32 -15.610 -6.587 -3.706 1.00 0.00 O ATOM 474 CB LEU A 32 -17.092 -5.351 -0.996 1.00 0.00 C ATOM 475 CG LEU A 32 -15.764 -4.595 -0.823 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.863 -3.069 -0.989 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.200 -4.829 0.588 1.00 0.00 C ATOM 0 H LEU A 32 -19.254 -6.175 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.140 -4.738 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.895 -4.775 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.036 -6.301 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.127 -4.990 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.878 -2.623 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.229 -2.835 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.552 -2.666 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.260 -4.289 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.914 -4.470 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.026 -5.894 0.738 1.00 0.00 H new ATOM 489 N GLY A 33 -17.268 -7.930 -3.248 1.00 0.00 N ATOM 490 CA GLY A 33 -16.904 -8.925 -4.209 1.00 0.00 C ATOM 491 C GLY A 33 -16.812 -8.395 -5.598 1.00 0.00 C ATOM 492 O GLY A 33 -15.830 -8.691 -6.277 1.00 0.00 O ATOM 0 H GLY A 33 -18.033 -8.227 -2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.944 -9.358 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.637 -9.731 -4.183 1.00 0.00 H new ATOM 496 N THR A 34 -17.782 -7.594 -6.074 1.00 0.00 N ATOM 497 CA THR A 34 -17.840 -7.127 -7.424 1.00 0.00 C ATOM 498 C THR A 34 -16.697 -6.195 -7.638 1.00 0.00 C ATOM 499 O THR A 34 -16.018 -6.189 -8.664 1.00 0.00 O ATOM 500 CB THR A 34 -19.118 -6.400 -7.720 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.262 -7.225 -7.562 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.186 -5.951 -9.190 1.00 0.00 C ATOM 0 H THR A 34 -18.554 -7.259 -5.497 1.00 0.00 H new ATOM 0 HA THR A 34 -17.791 -7.990 -8.088 1.00 0.00 H new ATOM 0 HB THR A 34 -19.120 -5.563 -7.021 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.069 -6.707 -7.764 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.126 -5.428 -9.368 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.352 -5.283 -9.405 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.128 -6.824 -9.840 1.00 0.00 H new ATOM 510 N VAL A 35 -16.400 -5.366 -6.621 1.00 0.00 N ATOM 511 CA VAL A 35 -15.286 -4.475 -6.520 1.00 0.00 C ATOM 512 C VAL A 35 -13.957 -5.132 -6.669 1.00 0.00 C ATOM 513 O VAL A 35 -13.146 -4.746 -7.509 1.00 0.00 O ATOM 514 CB VAL A 35 -15.415 -3.563 -5.336 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.149 -2.697 -5.220 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.680 -2.798 -5.761 1.00 0.00 C ATOM 0 H VAL A 35 -16.996 -5.317 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.324 -3.829 -7.397 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.501 -4.014 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.240 -2.033 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.279 -3.340 -5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.030 -2.103 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.936 -2.065 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.496 -2.287 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.506 -3.499 -5.882 1.00 0.00 H new ATOM 526 N MET A 36 -13.677 -6.202 -5.904 1.00 0.00 N ATOM 527 CA MET A 36 -12.420 -6.867 -6.060 1.00 0.00 C ATOM 528 C MET A 36 -12.346 -7.590 -7.361 1.00 0.00 C ATOM 529 O MET A 36 -11.317 -7.587 -8.034 1.00 0.00 O ATOM 530 CB MET A 36 -12.065 -7.936 -5.014 1.00 0.00 C ATOM 531 CG MET A 36 -12.024 -7.370 -3.593 1.00 0.00 C ATOM 532 SD MET A 36 -10.891 -8.201 -2.439 1.00 0.00 S ATOM 533 CE MET A 36 -9.296 -7.661 -3.117 1.00 0.00 C ATOM 0 H MET A 36 -14.298 -6.598 -5.198 1.00 0.00 H new ATOM 0 HA MET A 36 -11.724 -6.034 -5.963 1.00 0.00 H new ATOM 0 HB2 MET A 36 -12.797 -8.743 -5.060 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.096 -8.371 -5.257 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.746 -6.318 -3.650 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.031 -7.412 -3.177 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.744 -8.527 -3.483 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.467 -6.965 -3.939 1.00 0.00 H new ATOM 0 HE3 MET A 36 -8.718 -7.166 -2.337 1.00 0.00 H new ATOM 543 N ARG A 37 -13.496 -8.045 -7.890 1.00 0.00 N ATOM 544 CA ARG A 37 -13.582 -8.509 -9.240 1.00 0.00 C ATOM 545 C ARG A 37 -13.275 -7.508 -10.300 1.00 0.00 C ATOM 546 O ARG A 37 -12.588 -7.799 -11.278 1.00 0.00 O ATOM 547 CB ARG A 37 -14.977 -9.148 -9.350 1.00 0.00 C ATOM 548 CG ARG A 37 -15.011 -10.194 -10.465 1.00 0.00 C ATOM 549 CD ARG A 37 -14.052 -11.371 -10.269 1.00 0.00 C ATOM 550 NE ARG A 37 -14.678 -12.426 -11.115 1.00 0.00 N ATOM 551 CZ ARG A 37 -15.577 -13.337 -10.642 1.00 0.00 C ATOM 552 NH1 ARG A 37 -16.012 -13.402 -9.349 1.00 0.00 N ATOM 553 NH2 ARG A 37 -16.178 -14.179 -11.532 1.00 0.00 N ATOM 0 H ARG A 37 -14.376 -8.092 -7.376 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.788 -9.229 -9.440 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.244 -9.613 -8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.721 -8.376 -9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.026 -10.581 -10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.776 -9.705 -11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.040 -11.132 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.985 -11.673 -9.224 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.421 -12.469 -12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.661 -12.738 -8.659 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.688 -14.115 -9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.951 -14.118 -12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.854 -14.869 -11.205 1.00 0.00 H new ATOM 567 N SER A 38 -13.654 -6.233 -10.104 1.00 0.00 N ATOM 568 CA SER A 38 -13.436 -5.102 -10.951 1.00 0.00 C ATOM 569 C SER A 38 -12.042 -4.574 -10.935 1.00 0.00 C ATOM 570 O SER A 38 -11.626 -3.836 -11.826 1.00 0.00 O ATOM 571 CB SER A 38 -14.400 -3.913 -10.799 1.00 0.00 C ATOM 572 OG SER A 38 -15.738 -4.351 -10.982 1.00 0.00 O ATOM 0 H SER A 38 -14.167 -5.970 -9.263 1.00 0.00 H new ATOM 0 HA SER A 38 -13.650 -5.564 -11.915 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.286 -3.465 -9.812 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.157 -3.141 -11.529 1.00 0.00 H new ATOM 0 HG SER A 38 -15.971 -4.994 -10.280 1.00 0.00 H new ATOM 578 N LEU A 39 -11.234 -5.053 -9.972 1.00 0.00 N ATOM 579 CA LEU A 39 -9.817 -4.857 -9.985 1.00 0.00 C ATOM 580 C LEU A 39 -9.102 -6.078 -10.450 1.00 0.00 C ATOM 581 O LEU A 39 -7.877 -6.156 -10.368 1.00 0.00 O ATOM 582 CB LEU A 39 -9.404 -4.487 -8.551 1.00 0.00 C ATOM 583 CG LEU A 39 -10.155 -3.320 -7.887 1.00 0.00 C ATOM 584 CD1 LEU A 39 -9.384 -2.919 -6.619 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.319 -2.084 -8.788 1.00 0.00 C ATOM 0 H LEU A 39 -11.570 -5.586 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.549 -4.063 -10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.528 -5.370 -7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.341 -4.247 -8.556 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.164 -3.669 -7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.896 -2.092 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.334 -3.770 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.374 -2.611 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.858 -1.307 -8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.336 -1.710 -9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.879 -2.357 -9.682 1.00 0.00 H new ATOM 597 N GLY A 40 -9.830 -7.088 -10.959 1.00 0.00 N ATOM 598 CA GLY A 40 -9.383 -8.302 -11.569 1.00 0.00 C ATOM 599 C GLY A 40 -8.963 -9.380 -10.630 1.00 0.00 C ATOM 600 O GLY A 40 -8.161 -10.233 -11.005 1.00 0.00 O ATOM 0 H GLY A 40 -10.849 -7.045 -10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.184 -8.687 -12.200 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.544 -8.070 -12.225 1.00 0.00 H new ATOM 604 N GLN A 41 -9.405 -9.363 -9.360 1.00 0.00 N ATOM 605 CA GLN A 41 -9.063 -10.347 -8.380 1.00 0.00 C ATOM 606 C GLN A 41 -10.196 -11.297 -8.196 1.00 0.00 C ATOM 607 O GLN A 41 -11.388 -11.051 -8.376 1.00 0.00 O ATOM 608 CB GLN A 41 -8.707 -9.612 -7.077 1.00 0.00 C ATOM 609 CG GLN A 41 -7.676 -8.516 -7.355 1.00 0.00 C ATOM 610 CD GLN A 41 -7.328 -7.795 -6.061 1.00 0.00 C ATOM 611 OE1 GLN A 41 -7.776 -6.667 -5.856 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.562 -8.433 -5.136 1.00 0.00 N ATOM 0 H GLN A 41 -10.024 -8.636 -9.002 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.204 -10.938 -8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.605 -9.175 -6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.310 -10.319 -6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.778 -8.952 -7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.072 -7.807 -8.082 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.202 -9.368 -5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.347 -7.977 -4.249 1.00 0.00 H new ATOM 621 N ASN A 42 -9.926 -12.450 -7.558 1.00 0.00 N ATOM 622 CA ASN A 42 -10.875 -13.409 -7.084 1.00 0.00 C ATOM 623 C ASN A 42 -10.997 -13.481 -5.601 1.00 0.00 C ATOM 624 O ASN A 42 -10.085 -13.978 -4.942 1.00 0.00 O ATOM 625 CB ASN A 42 -10.607 -14.815 -7.646 1.00 0.00 C ATOM 626 CG ASN A 42 -10.812 -14.874 -9.153 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.897 -15.193 -9.635 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.730 -14.607 -9.932 1.00 0.00 N ATOM 0 H ASN A 42 -8.966 -12.733 -7.358 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.829 -13.040 -7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.586 -15.113 -7.407 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.270 -15.532 -7.161 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.805 -14.669 -10.947 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.843 -14.345 -9.501 1.00 0.00 H new ATOM 635 N PRO A 43 -11.962 -12.902 -4.951 1.00 0.00 N ATOM 636 CA PRO A 43 -12.095 -12.894 -3.523 1.00 0.00 C ATOM 637 C PRO A 43 -12.833 -14.119 -3.107 1.00 0.00 C ATOM 638 O PRO A 43 -13.326 -14.845 -3.969 1.00 0.00 O ATOM 639 CB PRO A 43 -12.963 -11.674 -3.225 1.00 0.00 C ATOM 640 CG PRO A 43 -13.811 -11.539 -4.500 1.00 0.00 C ATOM 641 CD PRO A 43 -12.906 -12.034 -5.639 1.00 0.00 C ATOM 0 HA PRO A 43 -11.135 -12.865 -3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.583 -11.825 -2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.361 -10.784 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.721 -12.135 -4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.118 -10.506 -4.661 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.471 -12.574 -6.399 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.403 -11.209 -6.143 1.00 0.00 H new ATOM 649 N THR A 44 -12.972 -14.289 -1.780 1.00 0.00 N ATOM 650 CA THR A 44 -13.891 -15.202 -1.174 1.00 0.00 C ATOM 651 C THR A 44 -14.701 -14.367 -0.244 1.00 0.00 C ATOM 652 O THR A 44 -14.339 -13.249 0.118 1.00 0.00 O ATOM 653 CB THR A 44 -13.365 -16.349 -0.363 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.201 -15.936 0.338 1.00 0.00 O ATOM 655 CG2 THR A 44 -12.872 -17.421 -1.350 1.00 0.00 C ATOM 0 H THR A 44 -12.420 -13.767 -1.100 1.00 0.00 H new ATOM 0 HA THR A 44 -14.396 -15.690 -2.007 1.00 0.00 H new ATOM 0 HB THR A 44 -14.142 -16.702 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.857 -16.684 0.870 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.481 -18.274 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.701 -17.746 -1.978 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.084 -17.004 -1.977 1.00 0.00 H new ATOM 663 N GLU A 45 -15.848 -14.875 0.242 1.00 0.00 N ATOM 664 CA GLU A 45 -16.847 -14.135 0.947 1.00 0.00 C ATOM 665 C GLU A 45 -16.469 -13.886 2.367 1.00 0.00 C ATOM 666 O GLU A 45 -16.412 -12.760 2.859 1.00 0.00 O ATOM 667 CB GLU A 45 -18.176 -14.903 0.854 1.00 0.00 C ATOM 668 CG GLU A 45 -18.871 -14.605 -0.476 1.00 0.00 C ATOM 669 CD GLU A 45 -20.020 -15.546 -0.809 1.00 0.00 C ATOM 670 OE1 GLU A 45 -21.148 -15.366 -0.276 1.00 0.00 O ATOM 671 OE2 GLU A 45 -19.874 -16.492 -1.628 1.00 0.00 O ATOM 0 H GLU A 45 -16.091 -15.860 0.136 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.949 -13.153 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.992 -15.974 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.826 -14.621 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.249 -13.583 -0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.133 -14.654 -1.277 1.00 0.00 H new ATOM 678 N ALA A 46 -16.221 -14.964 3.131 1.00 0.00 N ATOM 679 CA ALA A 46 -15.949 -14.871 4.532 1.00 0.00 C ATOM 680 C ALA A 46 -14.659 -14.205 4.869 1.00 0.00 C ATOM 681 O ALA A 46 -14.581 -13.486 5.864 1.00 0.00 O ATOM 682 CB ALA A 46 -15.898 -16.253 5.206 1.00 0.00 C ATOM 0 H ALA A 46 -16.209 -15.918 2.770 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.778 -14.267 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.689 -16.132 6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.857 -16.755 5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.112 -16.853 4.747 1.00 0.00 H new ATOM 688 N GLU A 47 -13.634 -14.266 4.000 1.00 0.00 N ATOM 689 CA GLU A 47 -12.530 -13.365 4.119 1.00 0.00 C ATOM 690 C GLU A 47 -12.786 -11.930 3.808 1.00 0.00 C ATOM 691 O GLU A 47 -12.383 -11.056 4.572 1.00 0.00 O ATOM 692 CB GLU A 47 -11.252 -13.881 3.437 1.00 0.00 C ATOM 693 CG GLU A 47 -10.796 -15.206 4.052 1.00 0.00 C ATOM 694 CD GLU A 47 -9.484 -15.666 3.434 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.579 -14.799 3.305 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.312 -16.872 3.113 1.00 0.00 O ATOM 0 H GLU A 47 -13.569 -14.928 3.227 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.365 -13.361 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.434 -14.015 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.459 -13.139 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.675 -15.089 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.562 -15.966 3.898 1.00 0.00 H new ATOM 703 N LEU A 48 -13.668 -11.640 2.834 1.00 0.00 N ATOM 704 CA LEU A 48 -14.163 -10.319 2.598 1.00 0.00 C ATOM 705 C LEU A 48 -14.949 -9.873 3.783 1.00 0.00 C ATOM 706 O LEU A 48 -14.756 -8.793 4.339 1.00 0.00 O ATOM 707 CB LEU A 48 -15.119 -10.323 1.394 1.00 0.00 C ATOM 708 CG LEU A 48 -14.446 -10.113 0.027 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.485 -9.822 -1.070 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.361 -9.027 0.114 1.00 0.00 C ATOM 0 H LEU A 48 -14.046 -12.340 2.196 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.316 -9.658 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.653 -11.273 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.864 -9.541 1.539 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.948 -11.040 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.977 -9.678 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.175 -10.662 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.040 -8.919 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.899 -8.895 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.812 -8.087 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.602 -9.328 0.836 1.00 0.00 H new ATOM 722 N GLN A 49 -15.838 -10.698 4.364 1.00 0.00 N ATOM 723 CA GLN A 49 -16.601 -10.348 5.522 1.00 0.00 C ATOM 724 C GLN A 49 -15.823 -9.893 6.708 1.00 0.00 C ATOM 725 O GLN A 49 -16.225 -8.980 7.427 1.00 0.00 O ATOM 726 CB GLN A 49 -17.530 -11.469 6.019 1.00 0.00 C ATOM 727 CG GLN A 49 -18.609 -11.174 7.063 1.00 0.00 C ATOM 728 CD GLN A 49 -19.593 -10.134 6.544 1.00 0.00 C ATOM 729 OE1 GLN A 49 -20.555 -10.527 5.887 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.302 -8.844 6.862 1.00 0.00 N ATOM 0 H GLN A 49 -16.032 -11.638 4.018 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.171 -9.505 5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -18.032 -11.883 5.145 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.896 -12.257 6.425 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.141 -12.092 7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.144 -10.815 7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.473 -8.630 7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.913 -8.091 6.547 1.00 0.00 H new ATOM 739 N ASP A 50 -14.620 -10.457 6.918 1.00 0.00 N ATOM 740 CA ASP A 50 -13.751 -10.253 8.036 1.00 0.00 C ATOM 741 C ASP A 50 -13.176 -8.879 8.043 1.00 0.00 C ATOM 742 O ASP A 50 -13.130 -8.170 9.047 1.00 0.00 O ATOM 743 CB ASP A 50 -12.660 -11.336 7.996 1.00 0.00 C ATOM 744 CG ASP A 50 -11.821 -11.520 9.252 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.411 -11.523 10.366 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.569 -11.641 9.173 1.00 0.00 O ATOM 0 H ASP A 50 -14.222 -11.113 6.246 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.315 -10.340 8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.137 -12.289 7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.987 -11.108 7.170 1.00 0.00 H new ATOM 751 N MET A 51 -12.844 -8.402 6.829 1.00 0.00 N ATOM 752 CA MET A 51 -12.477 -7.056 6.514 1.00 0.00 C ATOM 753 C MET A 51 -13.584 -6.076 6.697 1.00 0.00 C ATOM 754 O MET A 51 -13.332 -5.089 7.385 1.00 0.00 O ATOM 755 CB MET A 51 -12.009 -6.882 5.060 1.00 0.00 C ATOM 756 CG MET A 51 -11.518 -5.516 4.577 1.00 0.00 C ATOM 757 SD MET A 51 -12.485 -4.833 3.197 1.00 0.00 S ATOM 758 CE MET A 51 -11.804 -6.013 1.997 1.00 0.00 C ATOM 0 H MET A 51 -12.832 -9.005 6.006 1.00 0.00 H new ATOM 0 HA MET A 51 -11.667 -6.858 7.216 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.203 -7.596 4.890 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.837 -7.177 4.415 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.547 -4.814 5.411 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.476 -5.603 4.270 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.096 -5.717 0.989 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.717 -6.021 2.072 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.190 -7.010 2.208 1.00 0.00 H new ATOM 768 N ILE A 52 -14.806 -6.343 6.203 1.00 0.00 N ATOM 769 CA ILE A 52 -16.043 -5.636 6.328 1.00 0.00 C ATOM 770 C ILE A 52 -16.419 -5.418 7.754 1.00 0.00 C ATOM 771 O ILE A 52 -16.738 -4.294 8.136 1.00 0.00 O ATOM 772 CB ILE A 52 -17.127 -6.302 5.533 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.884 -6.351 4.015 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.517 -5.709 5.817 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.854 -7.264 3.265 1.00 0.00 C ATOM 0 H ILE A 52 -14.939 -7.179 5.633 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.905 -4.642 5.902 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.097 -7.333 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.963 -5.342 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.864 -6.689 3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.264 -6.228 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.755 -5.829 6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.519 -4.649 5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.620 -7.247 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.759 -8.283 3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.875 -6.914 3.418 1.00 0.00 H new ATOM 787 N ASN A 53 -16.094 -6.414 8.597 1.00 0.00 N ATOM 788 CA ASN A 53 -16.426 -6.398 9.988 1.00 0.00 C ATOM 789 C ASN A 53 -15.512 -5.449 10.684 1.00 0.00 C ATOM 790 O ASN A 53 -15.858 -4.827 11.687 1.00 0.00 O ATOM 791 CB ASN A 53 -16.407 -7.785 10.652 1.00 0.00 C ATOM 792 CG ASN A 53 -17.562 -8.719 10.321 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.675 -8.294 10.015 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.311 -10.056 10.322 1.00 0.00 N ATOM 0 H ASN A 53 -15.588 -7.250 8.305 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.460 -6.065 10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.478 -8.282 10.374 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.383 -7.644 11.733 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.048 -10.713 10.068 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.386 -10.401 10.577 1.00 0.00 H new ATOM 801 N GLU A 54 -14.245 -5.346 10.244 1.00 0.00 N ATOM 802 CA GLU A 54 -13.216 -4.494 10.754 1.00 0.00 C ATOM 803 C GLU A 54 -13.394 -3.023 10.595 1.00 0.00 C ATOM 804 O GLU A 54 -12.783 -2.244 11.325 1.00 0.00 O ATOM 805 CB GLU A 54 -11.872 -5.135 10.369 1.00 0.00 C ATOM 806 CG GLU A 54 -10.756 -4.738 11.337 1.00 0.00 C ATOM 807 CD GLU A 54 -9.444 -5.479 11.122 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.245 -6.620 11.619 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.623 -4.890 10.369 1.00 0.00 O ATOM 0 H GLU A 54 -13.913 -5.910 9.462 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.269 -4.455 11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.976 -6.220 10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.601 -4.832 9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.574 -3.667 11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.096 -4.915 12.357 1.00 0.00 H new ATOM 816 N VAL A 55 -14.204 -2.618 9.600 1.00 0.00 N ATOM 817 CA VAL A 55 -14.539 -1.259 9.308 1.00 0.00 C ATOM 818 C VAL A 55 -15.978 -0.994 9.590 1.00 0.00 C ATOM 819 O VAL A 55 -16.489 0.099 9.354 1.00 0.00 O ATOM 820 CB VAL A 55 -14.230 -0.808 7.911 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.742 -0.908 7.534 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.918 -1.782 6.940 1.00 0.00 C ATOM 0 H VAL A 55 -14.650 -3.278 8.963 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.894 -0.679 9.968 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.556 0.230 7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.602 -0.564 6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.153 -0.287 8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.415 -1.944 7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.711 -1.479 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.537 -2.790 7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -15.994 -1.768 7.112 1.00 0.00 H new ATOM 832 N ASP A 56 -16.781 -1.877 10.211 1.00 0.00 N ATOM 833 CA ASP A 56 -18.181 -1.724 10.458 1.00 0.00 C ATOM 834 C ASP A 56 -18.321 -0.872 11.672 1.00 0.00 C ATOM 835 O ASP A 56 -17.792 -1.198 12.733 1.00 0.00 O ATOM 836 CB ASP A 56 -18.951 -3.050 10.575 1.00 0.00 C ATOM 837 CG ASP A 56 -20.395 -2.753 10.196 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.163 -1.940 10.776 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.896 -3.330 9.194 1.00 0.00 O ATOM 0 H ASP A 56 -16.423 -2.764 10.566 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.643 -1.246 9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.525 -3.804 9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.891 -3.444 11.589 1.00 0.00 H new ATOM 844 N ALA A 57 -19.097 0.216 11.519 1.00 0.00 N ATOM 845 CA ALA A 57 -19.452 1.090 12.594 1.00 0.00 C ATOM 846 C ALA A 57 -20.416 0.425 13.515 1.00 0.00 C ATOM 847 O ALA A 57 -20.252 0.490 14.732 1.00 0.00 O ATOM 848 CB ALA A 57 -20.070 2.331 11.926 1.00 0.00 C ATOM 0 H ALA A 57 -19.489 0.496 10.620 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.591 1.360 13.205 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -20.367 3.047 12.692 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -19.336 2.791 11.264 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -20.945 2.035 11.348 1.00 0.00 H new ATOM 854 N ASP A 58 -21.493 -0.157 12.959 1.00 0.00 N ATOM 855 CA ASP A 58 -22.642 -0.718 13.600 1.00 0.00 C ATOM 856 C ASP A 58 -22.545 -2.172 13.908 1.00 0.00 C ATOM 857 O ASP A 58 -23.133 -2.618 14.893 1.00 0.00 O ATOM 858 CB ASP A 58 -23.890 -0.239 12.841 1.00 0.00 C ATOM 859 CG ASP A 58 -24.289 -1.096 11.649 1.00 0.00 C ATOM 860 OD1 ASP A 58 -24.734 -2.253 11.876 1.00 0.00 O ATOM 861 OD2 ASP A 58 -24.078 -0.657 10.487 1.00 0.00 O ATOM 0 H ASP A 58 -21.563 -0.242 11.945 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.720 -0.340 14.619 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.727 -0.201 13.538 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.717 0.780 12.494 1.00 0.00 H new ATOM 866 N GLY A 59 -21.765 -2.988 13.176 1.00 0.00 N ATOM 867 CA GLY A 59 -21.543 -4.382 13.404 1.00 0.00 C ATOM 868 C GLY A 59 -22.507 -5.314 12.753 1.00 0.00 C ATOM 869 O GLY A 59 -22.380 -6.485 13.106 1.00 0.00 O ATOM 0 H GLY A 59 -21.252 -2.646 12.364 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.539 -4.631 13.059 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.564 -4.562 14.479 1.00 0.00 H new ATOM 873 N ASN A 60 -23.433 -4.847 11.897 1.00 0.00 N ATOM 874 CA ASN A 60 -24.116 -5.792 11.068 1.00 0.00 C ATOM 875 C ASN A 60 -23.359 -6.548 10.031 1.00 0.00 C ATOM 876 O ASN A 60 -23.779 -7.662 9.725 1.00 0.00 O ATOM 877 CB ASN A 60 -25.387 -5.259 10.385 1.00 0.00 C ATOM 878 CG ASN A 60 -25.150 -4.086 9.444 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.123 -3.555 9.027 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.312 -3.485 9.072 1.00 0.00 N ATOM 0 H ASN A 60 -23.700 -3.870 11.780 1.00 0.00 H new ATOM 0 HA ASN A 60 -24.342 -6.502 11.864 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.851 -6.071 9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.098 -4.955 11.154 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -26.290 -2.651 8.485 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.206 -3.868 9.380 1.00 0.00 H new ATOM 887 N GLY A 61 -22.268 -6.056 9.416 1.00 0.00 N ATOM 888 CA GLY A 61 -21.499 -6.715 8.406 1.00 0.00 C ATOM 889 C GLY A 61 -21.830 -6.433 6.981 1.00 0.00 C ATOM 890 O GLY A 61 -21.437 -7.043 5.988 1.00 0.00 O ATOM 0 H GLY A 61 -21.898 -5.132 9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.451 -6.458 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.591 -7.790 8.564 1.00 0.00 H new ATOM 894 N THR A 62 -22.645 -5.375 6.822 1.00 0.00 N ATOM 895 CA THR A 62 -22.875 -4.685 5.591 1.00 0.00 C ATOM 896 C THR A 62 -22.275 -3.325 5.686 1.00 0.00 C ATOM 897 O THR A 62 -22.364 -2.654 6.713 1.00 0.00 O ATOM 898 CB THR A 62 -24.331 -4.670 5.228 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.155 -4.198 6.284 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.770 -6.131 5.033 1.00 0.00 C ATOM 0 H THR A 62 -23.174 -4.979 7.599 1.00 0.00 H new ATOM 0 HA THR A 62 -22.387 -5.213 4.772 1.00 0.00 H new ATOM 0 HB THR A 62 -24.438 -4.030 4.352 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.615 -3.670 6.909 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.827 -6.161 4.767 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.182 -6.584 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.613 -6.685 5.959 1.00 0.00 H new ATOM 908 N ILE A 63 -21.716 -2.810 4.576 1.00 0.00 N ATOM 909 CA ILE A 63 -20.996 -1.577 4.653 1.00 0.00 C ATOM 910 C ILE A 63 -21.998 -0.559 4.229 1.00 0.00 C ATOM 911 O ILE A 63 -22.509 -0.473 3.113 1.00 0.00 O ATOM 912 CB ILE A 63 -19.762 -1.489 3.805 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.140 -2.872 3.546 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.797 -0.617 4.626 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.839 -2.759 2.754 1.00 0.00 C ATOM 0 H ILE A 63 -21.760 -3.233 3.649 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.602 -1.443 5.660 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.983 -1.076 2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.947 -3.369 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.848 -3.494 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.861 -0.497 4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.246 0.362 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.599 -1.097 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.426 -3.754 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.038 -2.284 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.123 -2.158 3.314 1.00 0.00 H new ATOM 927 N ASP A 64 -22.334 0.281 5.224 1.00 0.00 N ATOM 928 CA ASP A 64 -23.000 1.527 5.004 1.00 0.00 C ATOM 929 C ASP A 64 -22.073 2.603 4.553 1.00 0.00 C ATOM 930 O ASP A 64 -20.866 2.523 4.771 1.00 0.00 O ATOM 931 CB ASP A 64 -23.698 1.926 6.315 1.00 0.00 C ATOM 932 CG ASP A 64 -24.532 0.785 6.880 1.00 0.00 C ATOM 933 OD1 ASP A 64 -24.007 -0.121 7.580 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.760 0.846 6.601 1.00 0.00 O ATOM 0 H ASP A 64 -22.138 0.089 6.206 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.725 1.401 4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.950 2.227 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.337 2.791 6.138 1.00 0.00 H new ATOM 939 N PHE A 65 -22.647 3.662 3.954 1.00 0.00 N ATOM 940 CA PHE A 65 -21.904 4.717 3.338 1.00 0.00 C ATOM 941 C PHE A 65 -20.957 5.471 4.205 1.00 0.00 C ATOM 942 O PHE A 65 -19.821 5.627 3.759 1.00 0.00 O ATOM 943 CB PHE A 65 -22.751 5.719 2.534 1.00 0.00 C ATOM 944 CG PHE A 65 -21.954 6.611 1.647 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.194 6.101 0.621 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.946 7.966 1.885 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.417 6.927 -0.157 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.120 8.768 1.133 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.370 8.278 0.090 1.00 0.00 C ATOM 0 H PHE A 65 -23.658 3.788 3.897 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.296 4.129 2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.469 5.167 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.325 6.333 3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.207 5.039 0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.578 8.393 2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.839 6.511 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.058 9.820 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.763 8.934 -0.516 1.00 0.00 H new ATOM 959 N PRO A 66 -21.177 5.992 5.376 1.00 0.00 N ATOM 960 CA PRO A 66 -20.155 6.497 6.246 1.00 0.00 C ATOM 961 C PRO A 66 -19.070 5.541 6.607 1.00 0.00 C ATOM 962 O PRO A 66 -17.951 6.005 6.819 1.00 0.00 O ATOM 963 CB PRO A 66 -20.937 6.792 7.524 1.00 0.00 C ATOM 964 CG PRO A 66 -22.422 6.949 7.159 1.00 0.00 C ATOM 965 CD PRO A 66 -22.503 5.972 5.975 1.00 0.00 C ATOM 0 HA PRO A 66 -19.641 7.325 5.757 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.807 5.984 8.243 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.564 7.701 7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -23.085 6.670 7.978 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.677 7.970 6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.770 4.969 6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -23.264 6.283 5.259 1.00 0.00 H new ATOM 973 N GLU A 67 -19.310 4.220 6.682 1.00 0.00 N ATOM 974 CA GLU A 67 -18.270 3.255 6.862 1.00 0.00 C ATOM 975 C GLU A 67 -17.389 3.042 5.679 1.00 0.00 C ATOM 976 O GLU A 67 -16.199 2.752 5.786 1.00 0.00 O ATOM 977 CB GLU A 67 -18.907 1.984 7.449 1.00 0.00 C ATOM 978 CG GLU A 67 -20.249 2.166 8.161 1.00 0.00 C ATOM 979 CD GLU A 67 -20.961 0.871 8.526 1.00 0.00 C ATOM 980 OE1 GLU A 67 -21.005 -0.038 7.654 1.00 0.00 O ATOM 981 OE2 GLU A 67 -21.443 0.682 9.674 1.00 0.00 O ATOM 0 H GLU A 67 -20.244 3.814 6.616 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.542 3.645 7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.043 1.265 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.203 1.542 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.086 2.743 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.905 2.757 7.522 1.00 0.00 H new ATOM 988 N PHE A 68 -18.023 3.201 4.503 1.00 0.00 N ATOM 989 CA PHE A 68 -17.371 3.317 3.236 1.00 0.00 C ATOM 990 C PHE A 68 -16.390 4.438 3.200 1.00 0.00 C ATOM 991 O PHE A 68 -15.276 4.333 2.690 1.00 0.00 O ATOM 992 CB PHE A 68 -18.312 3.208 2.024 1.00 0.00 C ATOM 993 CG PHE A 68 -17.599 3.023 0.729 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.279 1.741 0.348 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.479 4.086 -0.135 1.00 0.00 C ATOM 996 CE1 PHE A 68 -17.013 1.558 -0.988 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.191 3.888 -1.465 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.916 2.605 -1.875 1.00 0.00 C ATOM 0 H PHE A 68 -19.039 3.251 4.433 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.760 2.421 3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.992 2.370 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.923 4.109 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.239 0.927 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.613 5.091 0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.875 0.552 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.181 4.712 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.623 2.418 -2.897 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.814 5.640 3.632 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.904 6.740 3.556 1.00 0.00 C ATOM 1010 C LEU A 69 -14.815 6.723 4.573 1.00 0.00 C ATOM 1011 O LEU A 69 -13.663 6.990 4.236 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.629 8.062 3.859 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.629 8.454 2.758 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.407 9.660 3.311 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.959 8.581 1.379 1.00 0.00 C ATOM 0 H LEU A 69 -17.737 5.846 4.015 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.497 6.655 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.156 7.973 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.893 8.857 3.976 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.362 7.680 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.139 9.990 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.921 9.372 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.714 10.474 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.706 8.859 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.185 9.347 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.511 7.627 1.103 1.00 0.00 H new ATOM 1027 N THR A 70 -15.086 6.113 5.742 1.00 0.00 N ATOM 1028 CA THR A 70 -14.158 5.584 6.692 1.00 0.00 C ATOM 1029 C THR A 70 -13.189 4.590 6.152 1.00 0.00 C ATOM 1030 O THR A 70 -12.006 4.698 6.472 1.00 0.00 O ATOM 1031 CB THR A 70 -14.800 5.052 7.939 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.572 6.058 8.579 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.820 4.534 9.006 1.00 0.00 C ATOM 0 H THR A 70 -16.050 5.979 6.048 1.00 0.00 H new ATOM 0 HA THR A 70 -13.579 6.469 6.958 1.00 0.00 H new ATOM 0 HB THR A 70 -15.400 4.216 7.579 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.421 6.171 8.103 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.379 4.171 9.868 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.226 3.720 8.590 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.159 5.343 9.317 1.00 0.00 H new ATOM 1041 N MET A 71 -13.571 3.534 5.413 1.00 0.00 N ATOM 1042 CA MET A 71 -12.663 2.557 4.897 1.00 0.00 C ATOM 1043 C MET A 71 -11.809 3.069 3.788 1.00 0.00 C ATOM 1044 O MET A 71 -10.654 2.692 3.597 1.00 0.00 O ATOM 1045 CB MET A 71 -13.357 1.232 4.539 1.00 0.00 C ATOM 1046 CG MET A 71 -13.839 1.140 3.090 1.00 0.00 C ATOM 1047 SD MET A 71 -15.131 -0.096 2.758 1.00 0.00 S ATOM 1048 CE MET A 71 -13.979 -1.500 2.749 1.00 0.00 C ATOM 0 H MET A 71 -14.544 3.354 5.166 1.00 0.00 H new ATOM 0 HA MET A 71 -11.980 2.337 5.717 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.666 0.411 4.732 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.211 1.093 5.202 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.214 2.118 2.790 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.981 0.919 2.456 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.530 -2.421 2.559 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.234 -1.355 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.480 -1.568 3.716 1.00 0.00 H new ATOM 1058 N MET A 72 -12.327 3.971 2.936 1.00 0.00 N ATOM 1059 CA MET A 72 -11.611 4.668 1.912 1.00 0.00 C ATOM 1060 C MET A 72 -10.574 5.560 2.501 1.00 0.00 C ATOM 1061 O MET A 72 -9.391 5.546 2.164 1.00 0.00 O ATOM 1062 CB MET A 72 -12.531 5.313 0.862 1.00 0.00 C ATOM 1063 CG MET A 72 -13.326 4.424 -0.096 1.00 0.00 C ATOM 1064 SD MET A 72 -12.346 3.279 -1.113 1.00 0.00 S ATOM 1065 CE MET A 72 -13.693 2.061 -1.087 1.00 0.00 C ATOM 0 H MET A 72 -13.313 4.231 2.965 1.00 0.00 H new ATOM 0 HA MET A 72 -11.057 3.937 1.323 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.247 5.938 1.396 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.917 5.978 0.255 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.040 3.842 0.487 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.905 5.065 -0.761 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.284 1.071 -0.886 1.00 0.00 H new ATOM 0 HE2 MET A 72 -14.406 2.324 -0.306 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.198 2.056 -2.053 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.952 6.271 3.579 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.045 7.143 4.258 1.00 0.00 C ATOM 1077 C ALA A 73 -8.870 6.443 4.850 1.00 0.00 C ATOM 1078 O ALA A 73 -7.730 6.901 4.800 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.820 7.985 5.286 1.00 0.00 C ATOM 0 H ALA A 73 -11.889 6.241 3.981 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.606 7.811 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.130 8.651 5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.579 8.576 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.300 7.325 6.009 1.00 0.00 H new ATOM 1234 N GLU A 83 3.425 3.358 3.915 1.00 0.00 N ATOM 1235 CA GLU A 83 2.957 2.692 5.090 1.00 0.00 C ATOM 1236 C GLU A 83 2.009 1.556 4.913 1.00 0.00 C ATOM 1237 O GLU A 83 2.043 0.640 5.733 1.00 0.00 O ATOM 1238 CB GLU A 83 2.388 3.670 6.132 1.00 0.00 C ATOM 1239 CG GLU A 83 1.066 4.273 5.653 1.00 0.00 C ATOM 1240 CD GLU A 83 0.477 5.166 6.737 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -0.094 4.649 7.734 1.00 0.00 O ATOM 1242 OE2 GLU A 83 0.510 6.424 6.689 1.00 0.00 O ATOM 0 HA GLU A 83 3.878 2.231 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.233 3.150 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.108 4.466 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.229 4.851 4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.363 3.478 5.404 1.00 0.00 H new ATOM 1249 N GLU A 84 1.157 1.457 3.877 1.00 0.00 N ATOM 1250 CA GLU A 84 0.508 0.219 3.575 1.00 0.00 C ATOM 1251 C GLU A 84 1.358 -0.961 3.251 1.00 0.00 C ATOM 1252 O GLU A 84 1.136 -2.030 3.817 1.00 0.00 O ATOM 1253 CB GLU A 84 -0.608 0.425 2.536 1.00 0.00 C ATOM 1254 CG GLU A 84 -1.881 0.875 3.256 1.00 0.00 C ATOM 1255 CD GLU A 84 -2.661 -0.340 3.735 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -3.243 -1.113 2.928 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -2.662 -0.489 4.986 1.00 0.00 O ATOM 0 H GLU A 84 0.919 2.228 3.253 1.00 0.00 H new ATOM 0 HA GLU A 84 0.086 -0.074 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.306 1.172 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.791 -0.501 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.625 1.511 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.498 1.472 2.584 1.00 0.00 H new ATOM 1264 N ILE A 85 2.406 -0.871 2.411 1.00 0.00 N ATOM 1265 CA ILE A 85 3.254 -1.925 1.950 1.00 0.00 C ATOM 1266 C ILE A 85 4.333 -2.104 2.962 1.00 0.00 C ATOM 1267 O ILE A 85 4.750 -3.244 3.161 1.00 0.00 O ATOM 1268 CB ILE A 85 3.673 -1.751 0.520 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.755 -0.690 0.255 1.00 0.00 C ATOM 1270 CG2 ILE A 85 2.420 -1.438 -0.315 1.00 0.00 C ATOM 1271 CD1 ILE A 85 4.976 -0.381 -1.225 1.00 0.00 C ATOM 0 H ILE A 85 2.683 0.029 2.019 1.00 0.00 H new ATOM 0 HA ILE A 85 2.723 -2.875 1.887 1.00 0.00 H new ATOM 0 HB ILE A 85 4.145 -2.690 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.480 0.230 0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.696 -1.029 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.702 -1.307 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.711 -2.262 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.957 -0.522 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.754 0.376 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.283 -1.289 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.049 -0.009 -1.661 1.00 0.00 H new ATOM 1283 N ARG A 86 4.677 -1.155 3.851 1.00 0.00 N ATOM 1284 CA ARG A 86 5.334 -1.401 5.097 1.00 0.00 C ATOM 1285 C ARG A 86 4.675 -2.362 6.025 1.00 0.00 C ATOM 1286 O ARG A 86 5.193 -3.360 6.524 1.00 0.00 O ATOM 1287 CB ARG A 86 5.723 -0.074 5.770 1.00 0.00 C ATOM 1288 CG ARG A 86 6.906 -0.118 6.740 1.00 0.00 C ATOM 1289 CD ARG A 86 7.702 1.189 6.704 1.00 0.00 C ATOM 1290 NE ARG A 86 8.818 0.908 7.651 1.00 0.00 N ATOM 1291 CZ ARG A 86 10.157 1.012 7.406 1.00 0.00 C ATOM 1292 NH1 ARG A 86 10.627 1.654 6.297 1.00 0.00 N ATOM 1293 NH2 ARG A 86 11.074 0.533 8.297 1.00 0.00 N ATOM 0 H ARG A 86 4.487 -0.166 3.692 1.00 0.00 H new ATOM 0 HA ARG A 86 6.241 -1.945 4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.950 0.651 4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.854 0.302 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.543 -0.298 7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.559 -0.952 6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.066 1.416 5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.101 2.040 7.025 1.00 0.00 H new ATOM 0 HE ARG A 86 8.551 0.604 8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.974 2.068 5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.632 1.720 6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.762 0.089 9.161 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.071 0.619 8.099 1.00 0.00 H new ATOM 1307 N GLU A 87 3.388 -2.133 6.343 1.00 0.00 N ATOM 1308 CA GLU A 87 2.704 -3.025 7.227 1.00 0.00 C ATOM 1309 C GLU A 87 2.297 -4.277 6.530 1.00 0.00 C ATOM 1310 O GLU A 87 2.319 -5.342 7.145 1.00 0.00 O ATOM 1311 CB GLU A 87 1.448 -2.340 7.792 1.00 0.00 C ATOM 1312 CG GLU A 87 0.527 -3.222 8.638 1.00 0.00 C ATOM 1313 CD GLU A 87 0.999 -3.482 10.062 1.00 0.00 C ATOM 1314 OE1 GLU A 87 2.160 -3.108 10.376 1.00 0.00 O ATOM 1315 OE2 GLU A 87 0.205 -4.037 10.868 1.00 0.00 O ATOM 0 H GLU A 87 2.832 -1.350 5.998 1.00 0.00 H new ATOM 0 HA GLU A 87 3.390 -3.282 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.763 -1.491 8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.870 -1.940 6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.457 -2.756 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.405 -4.180 8.133 1.00 0.00 H new ATOM 1322 N ALA A 88 1.997 -4.262 5.219 1.00 0.00 N ATOM 1323 CA ALA A 88 1.726 -5.491 4.540 1.00 0.00 C ATOM 1324 C ALA A 88 2.890 -6.412 4.409 1.00 0.00 C ATOM 1325 O ALA A 88 2.732 -7.628 4.507 1.00 0.00 O ATOM 1326 CB ALA A 88 1.183 -5.261 3.120 1.00 0.00 C ATOM 0 H ALA A 88 1.943 -3.423 4.641 1.00 0.00 H new ATOM 0 HA ALA A 88 0.984 -5.961 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.992 -6.222 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.255 -4.692 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.917 -4.706 2.535 1.00 0.00 H new ATOM 1332 N PHE A 89 4.145 -5.931 4.365 1.00 0.00 N ATOM 1333 CA PHE A 89 5.351 -6.698 4.413 1.00 0.00 C ATOM 1334 C PHE A 89 5.359 -7.457 5.696 1.00 0.00 C ATOM 1335 O PHE A 89 5.807 -8.598 5.802 1.00 0.00 O ATOM 1336 CB PHE A 89 6.488 -5.664 4.370 1.00 0.00 C ATOM 1337 CG PHE A 89 7.817 -6.333 4.285 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.224 -7.020 3.165 1.00 0.00 C ATOM 1339 CD2 PHE A 89 8.673 -6.113 5.338 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.484 -7.562 3.072 1.00 0.00 C ATOM 1341 CE2 PHE A 89 9.932 -6.658 5.245 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.316 -7.404 4.155 1.00 0.00 C ATOM 0 H PHE A 89 4.329 -4.931 4.290 1.00 0.00 H new ATOM 0 HA PHE A 89 5.452 -7.413 3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.353 -5.006 3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.449 -5.038 5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.538 -7.136 2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.370 -5.538 6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.806 -8.089 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 89 10.637 -6.496 6.047 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.288 -7.874 4.150 1.00 0.00 H new ATOM 1352 N ARG A 90 4.905 -6.883 6.824 1.00 0.00 N ATOM 1353 CA ARG A 90 4.913 -7.432 8.144 1.00 0.00 C ATOM 1354 C ARG A 90 3.856 -8.439 8.440 1.00 0.00 C ATOM 1355 O ARG A 90 3.973 -9.404 9.193 1.00 0.00 O ATOM 1356 CB ARG A 90 4.851 -6.233 9.106 1.00 0.00 C ATOM 1357 CG ARG A 90 5.045 -6.544 10.591 1.00 0.00 C ATOM 1358 CD ARG A 90 5.023 -5.264 11.428 1.00 0.00 C ATOM 1359 NE ARG A 90 3.594 -4.944 11.708 1.00 0.00 N ATOM 1360 CZ ARG A 90 2.974 -5.027 12.921 1.00 0.00 C ATOM 1361 NH1 ARG A 90 3.366 -5.826 13.956 1.00 0.00 N ATOM 1362 NH2 ARG A 90 1.785 -4.368 13.046 1.00 0.00 N ATOM 0 H ARG A 90 4.495 -5.949 6.808 1.00 0.00 H new ATOM 0 HA ARG A 90 5.823 -8.019 8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.612 -5.513 8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.884 -5.745 8.982 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.259 -7.218 10.931 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.993 -7.061 10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.575 -5.403 12.357 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.502 -4.445 10.891 1.00 0.00 H new ATOM 0 HE ARG A 90 3.027 -4.634 10.919 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.185 -6.426 13.855 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.840 -5.823 14.830 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.404 -3.848 12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.277 -4.395 13.930 1.00 0.00 H new ATOM 1376 N VAL A 91 2.681 -8.219 7.823 1.00 0.00 N ATOM 1377 CA VAL A 91 1.481 -8.995 7.773 1.00 0.00 C ATOM 1378 C VAL A 91 1.773 -10.296 7.108 1.00 0.00 C ATOM 1379 O VAL A 91 1.390 -11.353 7.608 1.00 0.00 O ATOM 1380 CB VAL A 91 0.336 -8.257 7.145 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -0.833 -9.095 6.599 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -0.338 -7.255 8.097 1.00 0.00 C ATOM 0 H VAL A 91 2.562 -7.365 7.278 1.00 0.00 H new ATOM 0 HA VAL A 91 1.147 -9.193 8.792 1.00 0.00 H new ATOM 0 HB VAL A 91 0.865 -7.789 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.588 -8.433 6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.467 -9.771 5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.274 -9.676 7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.157 -6.756 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.727 -7.785 8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.392 -6.513 8.421 1.00 0.00 H new ATOM 1392 N PHE A 92 2.581 -10.211 6.036 1.00 0.00 N ATOM 1393 CA PHE A 92 2.987 -11.270 5.166 1.00 0.00 C ATOM 1394 C PHE A 92 4.020 -12.132 5.806 1.00 0.00 C ATOM 1395 O PHE A 92 4.037 -13.357 5.694 1.00 0.00 O ATOM 1396 CB PHE A 92 3.480 -10.722 3.816 1.00 0.00 C ATOM 1397 CG PHE A 92 2.378 -10.233 2.940 1.00 0.00 C ATOM 1398 CD1 PHE A 92 1.064 -10.446 3.283 1.00 0.00 C ATOM 1399 CD2 PHE A 92 2.740 -9.804 1.685 1.00 0.00 C ATOM 1400 CE1 PHE A 92 0.095 -10.156 2.351 1.00 0.00 C ATOM 1401 CE2 PHE A 92 1.766 -9.319 0.845 1.00 0.00 C ATOM 1402 CZ PHE A 92 0.450 -9.555 1.166 1.00 0.00 C ATOM 0 H PHE A 92 2.986 -9.318 5.755 1.00 0.00 H new ATOM 0 HA PHE A 92 2.112 -11.891 4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.180 -9.906 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.030 -11.504 3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.800 -10.830 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.771 -9.847 1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.939 -10.399 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.028 -8.766 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.323 -9.262 0.471 1.00 0.00 H new ATOM 1412 N ASP A 93 4.979 -11.647 6.614 1.00 0.00 N ATOM 1413 CA ASP A 93 5.943 -12.453 7.297 1.00 0.00 C ATOM 1414 C ASP A 93 5.555 -12.815 8.689 1.00 0.00 C ATOM 1415 O ASP A 93 5.262 -11.914 9.474 1.00 0.00 O ATOM 1416 CB ASP A 93 7.329 -11.819 7.092 1.00 0.00 C ATOM 1417 CG ASP A 93 8.517 -12.751 7.280 1.00 0.00 C ATOM 1418 OD1 ASP A 93 8.499 -13.892 6.746 1.00 0.00 O ATOM 1419 OD2 ASP A 93 9.408 -12.475 8.127 1.00 0.00 O ATOM 0 H ASP A 93 5.087 -10.650 6.800 1.00 0.00 H new ATOM 0 HA ASP A 93 5.988 -13.449 6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.373 -11.404 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.432 -10.985 7.786 1.00 0.00 H new ATOM 1424 N LYS A 94 5.542 -14.109 9.055 1.00 0.00 N ATOM 1425 CA LYS A 94 5.138 -14.528 10.361 1.00 0.00 C ATOM 1426 C LYS A 94 6.190 -14.362 11.403 1.00 0.00 C ATOM 1427 O LYS A 94 5.853 -14.072 12.550 1.00 0.00 O ATOM 1428 CB LYS A 94 4.703 -16.001 10.277 1.00 0.00 C ATOM 1429 CG LYS A 94 3.332 -16.181 9.624 1.00 0.00 C ATOM 1430 CD LYS A 94 2.156 -15.606 10.417 1.00 0.00 C ATOM 1431 CE LYS A 94 0.885 -15.526 9.570 1.00 0.00 C ATOM 1432 NZ LYS A 94 -0.186 -14.643 10.084 1.00 0.00 N ATOM 0 H LYS A 94 5.815 -14.874 8.438 1.00 0.00 H new ATOM 0 HA LYS A 94 4.316 -13.884 10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.446 -16.562 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.680 -16.426 11.281 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.351 -15.712 8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.158 -17.246 9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.970 -16.227 11.293 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.414 -14.611 10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.159 -15.187 8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.479 -16.532 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.997 -14.665 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.487 -14.973 11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.172 -13.669 10.157 1.00 0.00 H new ATOM 1446 N ASP A 95 7.487 -14.415 11.052 1.00 0.00 N ATOM 1447 CA ASP A 95 8.552 -14.244 11.991 1.00 0.00 C ATOM 1448 C ASP A 95 9.142 -12.888 12.179 1.00 0.00 C ATOM 1449 O ASP A 95 9.475 -12.451 13.280 1.00 0.00 O ATOM 1450 CB ASP A 95 9.650 -15.237 11.574 1.00 0.00 C ATOM 1451 CG ASP A 95 10.046 -15.129 10.109 1.00 0.00 C ATOM 1452 OD1 ASP A 95 9.206 -15.545 9.267 1.00 0.00 O ATOM 1453 OD2 ASP A 95 11.212 -14.751 9.816 1.00 0.00 O ATOM 0 H ASP A 95 7.803 -14.580 10.096 1.00 0.00 H new ATOM 0 HA ASP A 95 8.106 -14.420 12.970 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.532 -15.071 12.193 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.306 -16.252 11.775 1.00 0.00 H new ATOM 1458 N GLY A 96 9.248 -12.079 11.110 1.00 0.00 N ATOM 1459 CA GLY A 96 9.763 -10.756 11.284 1.00 0.00 C ATOM 1460 C GLY A 96 11.247 -10.640 11.227 1.00 0.00 C ATOM 1461 O GLY A 96 11.878 -9.733 11.769 1.00 0.00 O ATOM 0 H GLY A 96 8.987 -12.328 10.156 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.335 -10.113 10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.421 -10.374 12.246 1.00 0.00 H new ATOM 1465 N ASN A 97 11.991 -11.552 10.576 1.00 0.00 N ATOM 1466 CA ASN A 97 13.420 -11.602 10.551 1.00 0.00 C ATOM 1467 C ASN A 97 14.013 -10.456 9.806 1.00 0.00 C ATOM 1468 O ASN A 97 15.113 -9.956 10.038 1.00 0.00 O ATOM 1469 CB ASN A 97 13.989 -12.847 9.850 1.00 0.00 C ATOM 1470 CG ASN A 97 13.549 -13.015 8.402 1.00 0.00 C ATOM 1471 OD1 ASN A 97 12.374 -12.997 8.041 1.00 0.00 O ATOM 1472 ND2 ASN A 97 14.568 -13.039 7.501 1.00 0.00 N ATOM 0 H ASN A 97 11.566 -12.303 10.032 1.00 0.00 H new ATOM 0 HA ASN A 97 13.681 -11.596 11.609 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.078 -12.800 9.882 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.691 -13.732 10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.365 -13.042 6.501 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.535 -13.054 7.825 1.00 0.00 H new ATOM 1479 N GLY A 98 13.212 -9.927 8.864 1.00 0.00 N ATOM 1480 CA GLY A 98 13.598 -8.794 8.081 1.00 0.00 C ATOM 1481 C GLY A 98 13.195 -9.024 6.665 1.00 0.00 C ATOM 1482 O GLY A 98 13.066 -8.084 5.882 1.00 0.00 O ATOM 0 H GLY A 98 12.285 -10.290 8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.124 -7.891 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.675 -8.641 8.146 1.00 0.00 H new ATOM 1486 N TYR A 99 12.902 -10.255 6.211 1.00 0.00 N ATOM 1487 CA TYR A 99 12.748 -10.677 4.853 1.00 0.00 C ATOM 1488 C TYR A 99 11.581 -11.585 4.670 1.00 0.00 C ATOM 1489 O TYR A 99 11.262 -12.384 5.549 1.00 0.00 O ATOM 1490 CB TYR A 99 13.915 -11.480 4.253 1.00 0.00 C ATOM 1491 CG TYR A 99 15.143 -10.641 4.339 1.00 0.00 C ATOM 1492 CD1 TYR A 99 15.810 -10.459 5.528 1.00 0.00 C ATOM 1493 CD2 TYR A 99 15.652 -9.990 3.240 1.00 0.00 C ATOM 1494 CE1 TYR A 99 16.953 -9.696 5.559 1.00 0.00 C ATOM 1495 CE2 TYR A 99 16.796 -9.228 3.235 1.00 0.00 C ATOM 1496 CZ TYR A 99 17.446 -9.072 4.437 1.00 0.00 C ATOM 1497 OH TYR A 99 18.684 -8.417 4.604 1.00 0.00 O ATOM 0 H TYR A 99 12.759 -11.029 6.860 1.00 0.00 H new ATOM 0 HA TYR A 99 12.653 -9.714 4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 99 14.053 -12.415 4.796 1.00 0.00 H new ATOM 0 HB3 TYR A 99 13.704 -11.742 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 99 15.437 -10.914 6.434 1.00 0.00 H new ATOM 0 HD2 TYR A 99 15.112 -10.085 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 99 17.481 -9.583 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 99 17.167 -8.773 2.329 1.00 0.00 H new ATOM 0 HH TYR A 99 18.953 -8.006 3.756 1.00 0.00 H new ATOM 1507 N ILE A 100 11.077 -11.658 3.425 1.00 0.00 N ATOM 1508 CA ILE A 100 10.309 -12.806 3.056 1.00 0.00 C ATOM 1509 C ILE A 100 11.129 -13.749 2.244 1.00 0.00 C ATOM 1510 O ILE A 100 11.630 -13.398 1.177 1.00 0.00 O ATOM 1511 CB ILE A 100 9.076 -12.435 2.286 1.00 0.00 C ATOM 1512 CG1 ILE A 100 8.351 -11.193 2.830 1.00 0.00 C ATOM 1513 CG2 ILE A 100 8.056 -13.586 2.318 1.00 0.00 C ATOM 1514 CD1 ILE A 100 7.206 -10.644 1.979 1.00 0.00 C ATOM 0 H ILE A 100 11.194 -10.952 2.698 1.00 0.00 H new ATOM 0 HA ILE A 100 10.001 -13.290 3.983 1.00 0.00 H new ATOM 0 HB ILE A 100 9.431 -12.222 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.957 -11.433 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 100 9.087 -10.400 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.167 -13.301 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.498 -14.477 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.779 -13.798 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.776 -9.770 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.586 -10.361 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.439 -11.410 1.864 1.00 0.00 H new ATOM 1526 N SER A 101 11.362 -15.000 2.678 1.00 0.00 N ATOM 1527 CA SER A 101 12.009 -15.973 1.853 1.00 0.00 C ATOM 1528 C SER A 101 11.170 -16.407 0.700 1.00 0.00 C ATOM 1529 O SER A 101 9.946 -16.368 0.815 1.00 0.00 O ATOM 1530 CB SER A 101 12.737 -17.085 2.627 1.00 0.00 C ATOM 1531 OG SER A 101 13.538 -17.979 1.868 1.00 0.00 O ATOM 0 H SER A 101 11.101 -15.339 3.604 1.00 0.00 H new ATOM 0 HA SER A 101 12.845 -15.458 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.372 -16.615 3.378 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.990 -17.671 3.162 1.00 0.00 H new ATOM 0 HG SER A 101 13.950 -18.637 2.466 1.00 0.00 H new ATOM 1537 N ALA A 102 11.676 -16.907 -0.441 1.00 0.00 N ATOM 1538 CA ALA A 102 10.907 -17.599 -1.429 1.00 0.00 C ATOM 1539 C ALA A 102 9.954 -18.694 -1.091 1.00 0.00 C ATOM 1540 O ALA A 102 8.858 -18.850 -1.628 1.00 0.00 O ATOM 1541 CB ALA A 102 11.808 -18.043 -2.594 1.00 0.00 C ATOM 0 H ALA A 102 12.663 -16.826 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 102 10.196 -16.807 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.209 -18.568 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.269 -17.168 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.586 -18.708 -2.219 1.00 0.00 H new ATOM 1547 N ALA A 103 10.279 -19.478 -0.047 1.00 0.00 N ATOM 1548 CA ALA A 103 9.356 -20.433 0.484 1.00 0.00 C ATOM 1549 C ALA A 103 8.205 -19.761 1.150 1.00 0.00 C ATOM 1550 O ALA A 103 7.062 -20.209 1.084 1.00 0.00 O ATOM 1551 CB ALA A 103 10.110 -21.276 1.526 1.00 0.00 C ATOM 0 H ALA A 103 11.181 -19.451 0.429 1.00 0.00 H new ATOM 0 HA ALA A 103 8.965 -21.047 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.434 -22.017 1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.948 -21.783 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.483 -20.627 2.318 1.00 0.00 H new ATOM 1557 N GLU A 104 8.480 -18.673 1.892 1.00 0.00 N ATOM 1558 CA GLU A 104 7.476 -17.890 2.544 1.00 0.00 C ATOM 1559 C GLU A 104 6.596 -17.133 1.609 1.00 0.00 C ATOM 1560 O GLU A 104 5.370 -17.162 1.708 1.00 0.00 O ATOM 1561 CB GLU A 104 8.072 -16.926 3.583 1.00 0.00 C ATOM 1562 CG GLU A 104 9.062 -17.641 4.504 1.00 0.00 C ATOM 1563 CD GLU A 104 9.728 -16.728 5.523 1.00 0.00 C ATOM 1564 OE1 GLU A 104 10.387 -15.747 5.086 1.00 0.00 O ATOM 1565 OE2 GLU A 104 9.501 -16.894 6.752 1.00 0.00 O ATOM 0 H GLU A 104 9.428 -18.328 2.043 1.00 0.00 H new ATOM 0 HA GLU A 104 6.852 -18.624 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.575 -16.105 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.270 -16.488 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.540 -18.439 5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.833 -18.113 3.895 1.00 0.00 H new ATOM 1572 N LEU A 105 7.196 -16.569 0.546 1.00 0.00 N ATOM 1573 CA LEU A 105 6.578 -15.746 -0.447 1.00 0.00 C ATOM 1574 C LEU A 105 5.602 -16.493 -1.289 1.00 0.00 C ATOM 1575 O LEU A 105 4.487 -16.075 -1.599 1.00 0.00 O ATOM 1576 CB LEU A 105 7.657 -15.031 -1.277 1.00 0.00 C ATOM 1577 CG LEU A 105 7.135 -14.051 -2.342 1.00 0.00 C ATOM 1578 CD1 LEU A 105 8.039 -12.814 -2.471 1.00 0.00 C ATOM 1579 CD2 LEU A 105 7.097 -14.748 -3.712 1.00 0.00 C ATOM 0 H LEU A 105 8.192 -16.700 0.368 1.00 0.00 H new ATOM 0 HA LEU A 105 5.984 -14.987 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.311 -14.486 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.269 -15.785 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 105 6.139 -13.736 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.636 -12.147 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.079 -12.291 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.044 -13.126 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.727 -14.052 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.101 -15.074 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.436 -15.613 -3.662 1.00 0.00 H new ATOM 1591 N ARG A 106 5.904 -17.772 -1.575 1.00 0.00 N ATOM 1592 CA ARG A 106 4.967 -18.621 -2.242 1.00 0.00 C ATOM 1593 C ARG A 106 3.887 -19.200 -1.395 1.00 0.00 C ATOM 1594 O ARG A 106 2.831 -19.563 -1.911 1.00 0.00 O ATOM 1595 CB ARG A 106 5.675 -19.798 -2.933 1.00 0.00 C ATOM 1596 CG ARG A 106 6.170 -21.017 -2.152 1.00 0.00 C ATOM 1597 CD ARG A 106 7.177 -21.776 -3.017 1.00 0.00 C ATOM 1598 NE ARG A 106 6.493 -22.126 -4.294 1.00 0.00 N ATOM 1599 CZ ARG A 106 7.149 -22.143 -5.491 1.00 0.00 C ATOM 1600 NH1 ARG A 106 8.460 -21.765 -5.509 1.00 0.00 N ATOM 1601 NH2 ARG A 106 6.573 -22.539 -6.664 1.00 0.00 N ATOM 0 H ARG A 106 6.793 -18.217 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 106 4.494 -17.942 -2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.993 -20.170 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.540 -19.384 -3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.635 -20.704 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.333 -21.664 -1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.057 -21.163 -3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.520 -22.676 -2.506 1.00 0.00 H new ATOM 0 HE ARG A 106 5.501 -22.361 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.921 -21.481 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.979 -21.766 -6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.600 -22.844 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.116 -22.530 -7.527 1.00 0.00 H new ATOM 1615 N HIS A 107 4.085 -19.169 -0.065 1.00 0.00 N ATOM 1616 CA HIS A 107 3.077 -19.493 0.896 1.00 0.00 C ATOM 1617 C HIS A 107 2.072 -18.402 1.041 1.00 0.00 C ATOM 1618 O HIS A 107 0.876 -18.592 0.826 1.00 0.00 O ATOM 1619 CB HIS A 107 3.671 -19.950 2.239 1.00 0.00 C ATOM 1620 CG HIS A 107 2.754 -20.718 3.145 1.00 0.00 C ATOM 1621 ND1 HIS A 107 2.312 -22.023 3.068 1.00 0.00 N ATOM 1622 CD2 HIS A 107 2.276 -20.263 4.334 1.00 0.00 C ATOM 1623 CE1 HIS A 107 1.618 -22.255 4.215 1.00 0.00 C ATOM 1624 NE2 HIS A 107 1.559 -21.217 5.028 1.00 0.00 N ATOM 0 H HIS A 107 4.977 -18.910 0.356 1.00 0.00 H new ATOM 0 HA HIS A 107 2.534 -20.355 0.507 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.545 -20.568 2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.022 -19.068 2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.440 -19.259 4.698 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.156 -23.205 4.440 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.101 -21.140 5.936 1.00 0.00 H new ATOM 1632 N VAL A 108 2.581 -17.174 1.245 1.00 0.00 N ATOM 1633 CA VAL A 108 1.787 -15.986 1.298 1.00 0.00 C ATOM 1634 C VAL A 108 0.995 -15.558 0.110 1.00 0.00 C ATOM 1635 O VAL A 108 -0.151 -15.126 0.215 1.00 0.00 O ATOM 1636 CB VAL A 108 2.752 -14.914 1.708 1.00 0.00 C ATOM 1637 CG1 VAL A 108 2.055 -13.543 1.729 1.00 0.00 C ATOM 1638 CG2 VAL A 108 3.244 -15.245 3.127 1.00 0.00 C ATOM 0 H VAL A 108 3.578 -17.002 1.377 1.00 0.00 H new ATOM 0 HA VAL A 108 0.968 -16.196 1.986 1.00 0.00 H new ATOM 0 HB VAL A 108 3.581 -14.873 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.769 -12.776 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.673 -13.314 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.228 -13.566 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.950 -14.482 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.395 -15.271 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.737 -16.217 3.124 1.00 0.00 H new ATOM 1648 N MET A 109 1.584 -15.610 -1.099 1.00 0.00 N ATOM 1649 CA MET A 109 0.947 -15.127 -2.284 1.00 0.00 C ATOM 1650 C MET A 109 0.058 -16.176 -2.858 1.00 0.00 C ATOM 1651 O MET A 109 -0.636 -15.933 -3.844 1.00 0.00 O ATOM 1652 CB MET A 109 2.006 -14.637 -3.286 1.00 0.00 C ATOM 1653 CG MET A 109 2.947 -13.536 -2.793 1.00 0.00 C ATOM 1654 SD MET A 109 2.160 -12.014 -2.187 1.00 0.00 S ATOM 1655 CE MET A 109 3.844 -11.513 -1.727 1.00 0.00 C ATOM 0 H MET A 109 2.516 -15.993 -1.255 1.00 0.00 H new ATOM 0 HA MET A 109 0.313 -14.274 -2.039 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.610 -15.492 -3.591 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.493 -14.275 -4.177 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.562 -13.945 -1.992 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.620 -13.271 -3.608 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.923 -10.426 -1.762 1.00 0.00 H new ATOM 0 HE2 MET A 109 4.064 -11.860 -0.717 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.557 -11.951 -2.425 1.00 0.00 H new ATOM 1665 N THR A 110 0.004 -17.360 -2.220 1.00 0.00 N ATOM 1666 CA THR A 110 -0.937 -18.398 -2.502 1.00 0.00 C ATOM 1667 C THR A 110 -2.065 -18.051 -1.593 1.00 0.00 C ATOM 1668 O THR A 110 -3.206 -17.943 -2.040 1.00 0.00 O ATOM 1669 CB THR A 110 -0.392 -19.762 -2.201 1.00 0.00 C ATOM 1670 OG1 THR A 110 0.499 -20.196 -3.218 1.00 0.00 O ATOM 1671 CG2 THR A 110 -1.494 -20.835 -2.199 1.00 0.00 C ATOM 0 H THR A 110 0.650 -17.604 -1.470 1.00 0.00 H new ATOM 0 HA THR A 110 -1.213 -18.450 -3.555 1.00 0.00 H new ATOM 0 HB THR A 110 0.089 -19.663 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.423 -20.045 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.055 -21.807 -1.977 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.238 -20.591 -1.441 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.971 -20.868 -3.178 1.00 0.00 H new ATOM 1679 N ASN A 111 -1.831 -17.987 -0.270 1.00 0.00 N ATOM 1680 CA ASN A 111 -2.846 -17.937 0.737 1.00 0.00 C ATOM 1681 C ASN A 111 -3.601 -16.655 0.669 1.00 0.00 C ATOM 1682 O ASN A 111 -4.749 -16.521 1.089 1.00 0.00 O ATOM 1683 CB ASN A 111 -2.321 -18.248 2.149 1.00 0.00 C ATOM 1684 CG ASN A 111 -1.962 -19.710 2.374 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -1.978 -20.570 1.495 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -1.594 -20.034 3.643 1.00 0.00 N ATOM 0 H ASN A 111 -0.887 -17.969 0.117 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.548 -18.742 0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -1.440 -17.636 2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -3.076 -17.955 2.878 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.330 -20.993 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.582 -19.318 4.369 1.00 0.00 H new ATOM 1693 N LEU A 112 -3.085 -15.521 0.162 1.00 0.00 N ATOM 1694 CA LEU A 112 -3.686 -14.234 -0.003 1.00 0.00 C ATOM 1695 C LEU A 112 -5.089 -14.237 -0.504 1.00 0.00 C ATOM 1696 O LEU A 112 -5.952 -13.672 0.165 1.00 0.00 O ATOM 1697 CB LEU A 112 -2.844 -13.264 -0.849 1.00 0.00 C ATOM 1698 CG LEU A 112 -2.987 -11.773 -0.499 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -2.854 -11.313 0.963 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -1.904 -10.959 -1.226 1.00 0.00 C ATOM 0 H LEU A 112 -2.122 -15.511 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.721 -13.872 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.795 -13.542 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.112 -13.399 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.024 -11.608 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.984 -10.232 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.617 -11.801 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.867 -11.579 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.011 -9.904 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.918 -11.308 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.014 -11.087 -2.303 1.00 0.00 H new ATOM 1712 N GLY A 113 -5.386 -14.880 -1.648 1.00 0.00 N ATOM 1713 CA GLY A 113 -6.717 -15.122 -2.111 1.00 0.00 C ATOM 1714 C GLY A 113 -6.718 -15.939 -3.358 1.00 0.00 C ATOM 1715 O GLY A 113 -7.330 -17.006 -3.359 1.00 0.00 O ATOM 0 H GLY A 113 -4.670 -15.246 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.286 -15.637 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -7.218 -14.172 -2.296 1.00 0.00 H new ATOM 1719 N GLU A 114 -6.122 -15.482 -4.474 1.00 0.00 N ATOM 1720 CA GLU A 114 -6.052 -16.249 -5.679 1.00 0.00 C ATOM 1721 C GLU A 114 -5.075 -17.370 -5.596 1.00 0.00 C ATOM 1722 O GLU A 114 -4.081 -17.265 -4.879 1.00 0.00 O ATOM 1723 CB GLU A 114 -5.917 -15.314 -6.893 1.00 0.00 C ATOM 1724 CG GLU A 114 -6.663 -13.989 -6.720 1.00 0.00 C ATOM 1725 CD GLU A 114 -6.517 -13.263 -8.049 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -7.351 -13.597 -8.932 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -5.603 -12.411 -8.211 1.00 0.00 O ATOM 0 H GLU A 114 -5.681 -14.565 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.993 -16.779 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -4.861 -15.109 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.295 -15.823 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.712 -14.158 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.239 -13.403 -5.904 1.00 0.00 H new ATOM 1734 N LYS A 115 -5.332 -18.506 -6.269 1.00 0.00 N ATOM 1735 CA LYS A 115 -4.431 -19.616 -6.293 1.00 0.00 C ATOM 1736 C LYS A 115 -3.462 -19.588 -7.424 1.00 0.00 C ATOM 1737 O LYS A 115 -3.878 -19.714 -8.575 1.00 0.00 O ATOM 1738 CB LYS A 115 -5.250 -20.917 -6.243 1.00 0.00 C ATOM 1739 CG LYS A 115 -4.458 -22.209 -6.031 1.00 0.00 C ATOM 1740 CD LYS A 115 -5.278 -23.474 -6.292 1.00 0.00 C ATOM 1741 CE LYS A 115 -6.351 -23.851 -5.269 1.00 0.00 C ATOM 1742 NZ LYS A 115 -5.744 -24.114 -3.945 1.00 0.00 N ATOM 0 H LYS A 115 -6.185 -18.656 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.794 -19.553 -5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.983 -20.829 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.807 -21.006 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -3.589 -22.206 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.083 -22.233 -5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.763 -23.365 -7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.585 -24.311 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.080 -23.045 -5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.890 -24.735 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.470 -24.482 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.982 -24.815 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.353 -23.230 -3.561 1.00 0.00 H new ATOM 1756 N LEU A 116 -2.189 -19.268 -7.132 1.00 0.00 N ATOM 1757 CA LEU A 116 -1.145 -19.101 -8.095 1.00 0.00 C ATOM 1758 C LEU A 116 -0.582 -20.415 -8.515 1.00 0.00 C ATOM 1759 O LEU A 116 -0.423 -21.274 -7.649 1.00 0.00 O ATOM 1760 CB LEU A 116 -0.068 -18.161 -7.527 1.00 0.00 C ATOM 1761 CG LEU A 116 -0.518 -16.725 -7.210 1.00 0.00 C ATOM 1762 CD1 LEU A 116 0.678 -15.964 -6.615 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -1.126 -16.066 -8.460 1.00 0.00 C ATOM 0 H LEU A 116 -1.872 -19.118 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.556 -18.643 -8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.327 -18.605 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.755 -18.113 -8.240 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.314 -16.713 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.380 -14.942 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.009 -16.461 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.495 -15.949 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.440 -15.050 -8.220 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.381 -16.037 -9.255 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.989 -16.643 -8.792 1.00 0.00 H new ATOM 1775 N THR A 117 -0.270 -20.661 -9.800 1.00 0.00 N ATOM 1776 CA THR A 117 0.409 -21.883 -10.101 1.00 0.00 C ATOM 1777 C THR A 117 1.842 -21.772 -9.708 1.00 0.00 C ATOM 1778 O THR A 117 2.439 -20.698 -9.665 1.00 0.00 O ATOM 1779 CB THR A 117 0.442 -22.210 -11.564 1.00 0.00 C ATOM 1780 OG1 THR A 117 0.965 -21.099 -12.277 1.00 0.00 O ATOM 1781 CG2 THR A 117 -0.931 -22.622 -12.122 1.00 0.00 C ATOM 0 H THR A 117 -0.474 -20.052 -10.592 1.00 0.00 H new ATOM 0 HA THR A 117 -0.141 -22.652 -9.559 1.00 0.00 H new ATOM 0 HB THR A 117 1.089 -23.078 -11.695 1.00 0.00 H new ATOM 0 HG1 THR A 117 0.991 -21.307 -13.234 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.840 -22.846 -13.185 1.00 0.00 H new ATOM 0 HG22 THR A 117 -1.288 -23.507 -11.594 1.00 0.00 H new ATOM 0 HG23 THR A 117 -1.640 -21.806 -11.983 1.00 0.00 H new ATOM 1789 N ASP A 118 2.579 -22.894 -9.626 1.00 0.00 N ATOM 1790 CA ASP A 118 3.939 -22.875 -9.183 1.00 0.00 C ATOM 1791 C ASP A 118 4.791 -22.263 -10.242 1.00 0.00 C ATOM 1792 O ASP A 118 5.784 -21.605 -9.936 1.00 0.00 O ATOM 1793 CB ASP A 118 4.410 -24.326 -8.989 1.00 0.00 C ATOM 1794 CG ASP A 118 3.985 -24.829 -7.617 1.00 0.00 C ATOM 1795 OD1 ASP A 118 4.586 -24.370 -6.609 1.00 0.00 O ATOM 1796 OD2 ASP A 118 3.188 -25.804 -7.587 1.00 0.00 O ATOM 0 H ASP A 118 2.230 -23.821 -9.868 1.00 0.00 H new ATOM 0 HA ASP A 118 4.015 -22.308 -8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 118 3.987 -24.962 -9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.494 -24.382 -9.087 1.00 0.00 H new ATOM 1801 N GLU A 119 4.428 -22.439 -11.525 1.00 0.00 N ATOM 1802 CA GLU A 119 5.169 -21.774 -12.552 1.00 0.00 C ATOM 1803 C GLU A 119 4.935 -20.305 -12.639 1.00 0.00 C ATOM 1804 O GLU A 119 5.886 -19.546 -12.819 1.00 0.00 O ATOM 1805 CB GLU A 119 4.765 -22.412 -13.892 1.00 0.00 C ATOM 1806 CG GLU A 119 5.135 -23.896 -13.863 1.00 0.00 C ATOM 1807 CD GLU A 119 5.064 -24.394 -15.300 1.00 0.00 C ATOM 1808 OE1 GLU A 119 5.942 -24.048 -16.135 1.00 0.00 O ATOM 1809 OE2 GLU A 119 4.185 -25.241 -15.613 1.00 0.00 O ATOM 0 H GLU A 119 3.652 -23.019 -11.844 1.00 0.00 H new ATOM 0 HA GLU A 119 6.226 -21.894 -12.314 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.694 -22.293 -14.059 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.274 -21.912 -14.716 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.135 -24.037 -13.454 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.448 -24.453 -13.226 1.00 0.00 H new ATOM 1816 N GLU A 120 3.708 -19.817 -12.384 1.00 0.00 N ATOM 1817 CA GLU A 120 3.450 -18.433 -12.132 1.00 0.00 C ATOM 1818 C GLU A 120 4.225 -17.825 -11.013 1.00 0.00 C ATOM 1819 O GLU A 120 4.782 -16.738 -11.160 1.00 0.00 O ATOM 1820 CB GLU A 120 1.955 -18.164 -11.892 1.00 0.00 C ATOM 1821 CG GLU A 120 1.621 -16.702 -12.195 1.00 0.00 C ATOM 1822 CD GLU A 120 1.722 -16.432 -13.690 1.00 0.00 C ATOM 1823 OE1 GLU A 120 1.365 -17.298 -14.532 1.00 0.00 O ATOM 1824 OE2 GLU A 120 2.128 -15.293 -14.045 1.00 0.00 O ATOM 0 H GLU A 120 2.872 -20.401 -12.352 1.00 0.00 H new ATOM 0 HA GLU A 120 3.791 -17.950 -13.048 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.355 -18.819 -12.524 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.699 -18.396 -10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.615 -16.472 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.304 -16.047 -11.654 1.00 0.00 H new ATOM 1831 N VAL A 121 4.411 -18.602 -9.931 1.00 0.00 N ATOM 1832 CA VAL A 121 5.145 -18.259 -8.753 1.00 0.00 C ATOM 1833 C VAL A 121 6.617 -18.161 -8.960 1.00 0.00 C ATOM 1834 O VAL A 121 7.163 -17.088 -8.708 1.00 0.00 O ATOM 1835 CB VAL A 121 4.831 -19.199 -7.626 1.00 0.00 C ATOM 1836 CG1 VAL A 121 5.787 -19.056 -6.430 1.00 0.00 C ATOM 1837 CG2 VAL A 121 3.396 -19.091 -7.083 1.00 0.00 C ATOM 0 H VAL A 121 4.017 -19.542 -9.877 1.00 0.00 H new ATOM 0 HA VAL A 121 4.812 -17.256 -8.487 1.00 0.00 H new ATOM 0 HB VAL A 121 4.957 -20.175 -8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.504 -19.764 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.808 -19.261 -6.753 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.728 -18.041 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.259 -19.806 -6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 121 3.223 -18.082 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.687 -19.308 -7.882 1.00 0.00 H new ATOM 1847 N ASP A 122 7.284 -19.248 -9.388 1.00 0.00 N ATOM 1848 CA ASP A 122 8.686 -19.289 -9.670 1.00 0.00 C ATOM 1849 C ASP A 122 9.072 -18.224 -10.638 1.00 0.00 C ATOM 1850 O ASP A 122 10.023 -17.478 -10.410 1.00 0.00 O ATOM 1851 CB ASP A 122 9.219 -20.692 -10.006 1.00 0.00 C ATOM 1852 CG ASP A 122 9.215 -21.542 -8.744 1.00 0.00 C ATOM 1853 OD1 ASP A 122 9.938 -21.323 -7.736 1.00 0.00 O ATOM 1854 OD2 ASP A 122 8.349 -22.450 -8.630 1.00 0.00 O ATOM 0 H ASP A 122 6.822 -20.144 -9.545 1.00 0.00 H new ATOM 0 HA ASP A 122 9.205 -19.055 -8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.599 -21.156 -10.774 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.229 -20.624 -10.410 1.00 0.00 H new ATOM 1859 N GLU A 123 8.316 -18.107 -11.744 1.00 0.00 N ATOM 1860 CA GLU A 123 8.553 -16.997 -12.613 1.00 0.00 C ATOM 1861 C GLU A 123 8.356 -15.667 -11.972 1.00 0.00 C ATOM 1862 O GLU A 123 9.127 -14.756 -12.270 1.00 0.00 O ATOM 1863 CB GLU A 123 7.694 -17.009 -13.888 1.00 0.00 C ATOM 1864 CG GLU A 123 8.219 -16.082 -14.987 1.00 0.00 C ATOM 1865 CD GLU A 123 7.261 -15.950 -16.162 1.00 0.00 C ATOM 1866 OE1 GLU A 123 6.103 -15.464 -16.063 1.00 0.00 O ATOM 1867 OE2 GLU A 123 7.689 -16.361 -17.273 1.00 0.00 O ATOM 0 H GLU A 123 7.575 -18.747 -12.028 1.00 0.00 H new ATOM 0 HA GLU A 123 9.604 -17.130 -12.869 1.00 0.00 H new ATOM 0 HB2 GLU A 123 7.646 -18.027 -14.275 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.675 -16.717 -13.633 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.404 -15.095 -14.564 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.176 -16.460 -15.347 1.00 0.00 H new ATOM 1874 N MET A 124 7.363 -15.380 -11.111 1.00 0.00 N ATOM 1875 CA MET A 124 7.402 -14.194 -10.313 1.00 0.00 C ATOM 1876 C MET A 124 8.550 -13.994 -9.384 1.00 0.00 C ATOM 1877 O MET A 124 9.097 -12.893 -9.332 1.00 0.00 O ATOM 1878 CB MET A 124 6.096 -14.179 -9.500 1.00 0.00 C ATOM 1879 CG MET A 124 5.586 -12.859 -8.917 1.00 0.00 C ATOM 1880 SD MET A 124 4.239 -13.116 -7.724 1.00 0.00 S ATOM 1881 CE MET A 124 3.427 -11.496 -7.842 1.00 0.00 C ATOM 0 H MET A 124 6.539 -15.964 -10.968 1.00 0.00 H new ATOM 0 HA MET A 124 7.528 -13.376 -11.022 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.309 -14.579 -10.139 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.219 -14.876 -8.671 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.408 -12.337 -8.428 1.00 0.00 H new ATOM 0 HG3 MET A 124 5.237 -12.217 -9.725 1.00 0.00 H new ATOM 0 HE1 MET A 124 2.568 -11.470 -7.171 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.132 -10.714 -7.560 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.093 -11.330 -8.866 1.00 0.00 H new ATOM 1891 N ILE A 125 9.046 -15.028 -8.682 1.00 0.00 N ATOM 1892 CA ILE A 125 10.170 -15.042 -7.798 1.00 0.00 C ATOM 1893 C ILE A 125 11.473 -14.739 -8.454 1.00 0.00 C ATOM 1894 O ILE A 125 12.263 -13.892 -8.039 1.00 0.00 O ATOM 1895 CB ILE A 125 10.279 -16.375 -7.120 1.00 0.00 C ATOM 1896 CG1 ILE A 125 9.056 -16.562 -6.206 1.00 0.00 C ATOM 1897 CG2 ILE A 125 11.544 -16.473 -6.250 1.00 0.00 C ATOM 1898 CD1 ILE A 125 8.927 -17.937 -5.553 1.00 0.00 C ATOM 0 H ILE A 125 8.612 -15.949 -8.742 1.00 0.00 H new ATOM 0 HA ILE A 125 9.979 -14.243 -7.081 1.00 0.00 H new ATOM 0 HB ILE A 125 10.329 -17.143 -7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.093 -15.808 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 125 8.156 -16.370 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 125 11.585 -17.454 -5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 125 12.427 -16.334 -6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 125 11.518 -15.700 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 125 8.033 -17.962 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 125 8.852 -18.701 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 125 9.804 -18.130 -4.936 1.00 0.00 H new ATOM 1910 N ARG A 126 11.664 -15.378 -9.622 1.00 0.00 N ATOM 1911 CA ARG A 126 12.716 -15.075 -10.542 1.00 0.00 C ATOM 1912 C ARG A 126 12.646 -13.728 -11.176 1.00 0.00 C ATOM 1913 O ARG A 126 13.636 -13.147 -11.618 1.00 0.00 O ATOM 1914 CB ARG A 126 12.967 -16.244 -11.510 1.00 0.00 C ATOM 1915 CG ARG A 126 13.218 -17.636 -10.927 1.00 0.00 C ATOM 1916 CD ARG A 126 13.333 -18.597 -12.112 1.00 0.00 C ATOM 1917 NE ARG A 126 13.626 -19.937 -11.530 1.00 0.00 N ATOM 1918 CZ ARG A 126 13.336 -21.130 -12.127 1.00 0.00 C ATOM 1919 NH1 ARG A 126 12.670 -21.134 -13.318 1.00 0.00 N ATOM 1920 NH2 ARG A 126 13.761 -22.357 -11.707 1.00 0.00 N ATOM 0 H ARG A 126 11.061 -16.137 -9.938 1.00 0.00 H new ATOM 0 HA ARG A 126 13.620 -14.976 -9.942 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.106 -16.314 -12.175 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.827 -15.984 -12.128 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.130 -17.647 -10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.402 -17.932 -10.267 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.409 -18.616 -12.689 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.126 -18.285 -12.791 1.00 0.00 H new ATOM 0 HE ARG A 126 14.078 -19.965 -10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.395 -20.253 -13.752 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.447 -22.018 -13.775 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.350 -22.437 -10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.490 -23.194 -12.222 1.00 0.00 H new ATOM 1934 N GLU A 127 11.468 -13.081 -11.232 1.00 0.00 N ATOM 1935 CA GLU A 127 11.374 -11.749 -11.745 1.00 0.00 C ATOM 1936 C GLU A 127 11.543 -10.675 -10.727 1.00 0.00 C ATOM 1937 O GLU A 127 11.992 -9.567 -11.017 1.00 0.00 O ATOM 1938 CB GLU A 127 10.136 -11.541 -12.634 1.00 0.00 C ATOM 1939 CG GLU A 127 9.809 -10.105 -13.048 1.00 0.00 C ATOM 1940 CD GLU A 127 8.795 -9.998 -14.178 1.00 0.00 C ATOM 1941 OE1 GLU A 127 9.158 -10.075 -15.382 1.00 0.00 O ATOM 1942 OE2 GLU A 127 7.576 -9.775 -13.950 1.00 0.00 O ATOM 0 H GLU A 127 10.582 -13.479 -10.923 1.00 0.00 H new ATOM 0 HA GLU A 127 12.245 -11.645 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.267 -12.133 -13.540 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.271 -11.947 -12.110 1.00 0.00 H new ATOM 0 HG2 GLU A 127 9.428 -9.566 -12.180 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.730 -9.608 -13.353 1.00 0.00 H new ATOM 1949 N ALA A 128 11.093 -10.936 -9.486 1.00 0.00 N ATOM 1950 CA ALA A 128 11.063 -10.077 -8.344 1.00 0.00 C ATOM 1951 C ALA A 128 12.389 -9.846 -7.706 1.00 0.00 C ATOM 1952 O ALA A 128 12.564 -8.799 -7.084 1.00 0.00 O ATOM 1953 CB ALA A 128 10.137 -10.757 -7.321 1.00 0.00 C ATOM 0 H ALA A 128 10.708 -11.854 -9.262 1.00 0.00 H new ATOM 0 HA ALA A 128 10.721 -9.095 -8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.075 -10.143 -6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 128 9.142 -10.872 -7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 128 10.537 -11.738 -7.064 1.00 0.00 H new ATOM 1959 N ASP A 129 13.335 -10.800 -7.650 1.00 0.00 N ATOM 1960 CA ASP A 129 14.420 -10.777 -6.718 1.00 0.00 C ATOM 1961 C ASP A 129 15.466 -9.951 -7.383 1.00 0.00 C ATOM 1962 O ASP A 129 15.910 -10.288 -8.479 1.00 0.00 O ATOM 1963 CB ASP A 129 15.074 -12.078 -6.225 1.00 0.00 C ATOM 1964 CG ASP A 129 15.722 -11.886 -4.862 1.00 0.00 C ATOM 1965 OD1 ASP A 129 16.911 -11.469 -4.864 1.00 0.00 O ATOM 1966 OD2 ASP A 129 15.094 -11.977 -3.773 1.00 0.00 O ATOM 0 H ASP A 129 13.346 -11.610 -8.270 1.00 0.00 H new ATOM 0 HA ASP A 129 13.980 -10.410 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 129 14.323 -12.866 -6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 129 15.824 -12.406 -6.944 1.00 0.00 H new ATOM 1971 N ILE A 130 15.869 -8.839 -6.743 1.00 0.00 N ATOM 1972 CA ILE A 130 16.804 -7.855 -7.195 1.00 0.00 C ATOM 1973 C ILE A 130 18.238 -8.259 -7.220 1.00 0.00 C ATOM 1974 O ILE A 130 18.897 -8.106 -8.247 1.00 0.00 O ATOM 1975 CB ILE A 130 16.450 -6.534 -6.580 1.00 0.00 C ATOM 1976 CG1 ILE A 130 14.993 -6.130 -6.864 1.00 0.00 C ATOM 1977 CG2 ILE A 130 17.453 -5.433 -6.963 1.00 0.00 C ATOM 1978 CD1 ILE A 130 14.533 -5.940 -8.308 1.00 0.00 C ATOM 0 H ILE A 130 15.503 -8.608 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 130 16.693 -7.736 -8.273 1.00 0.00 H new ATOM 0 HB ILE A 130 16.525 -6.659 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 130 14.351 -6.887 -6.413 1.00 0.00 H new ATOM 0 HG13 ILE A 130 14.804 -5.196 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 130 17.158 -4.493 -6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 130 18.449 -5.712 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 130 17.464 -5.312 -8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 130 13.480 -5.657 -8.320 1.00 0.00 H new ATOM 0 HD12 ILE A 130 15.125 -5.155 -8.778 1.00 0.00 H new ATOM 0 HD13 ILE A 130 14.665 -6.872 -8.857 1.00 0.00 H new ATOM 1990 N ASP A 131 18.656 -8.787 -6.056 1.00 0.00 N ATOM 1991 CA ASP A 131 19.905 -9.444 -5.828 1.00 0.00 C ATOM 1992 C ASP A 131 20.028 -10.716 -6.595 1.00 0.00 C ATOM 1993 O ASP A 131 20.950 -10.988 -7.361 1.00 0.00 O ATOM 1994 CB ASP A 131 20.141 -9.820 -4.355 1.00 0.00 C ATOM 1995 CG ASP A 131 19.663 -8.737 -3.399 1.00 0.00 C ATOM 1996 OD1 ASP A 131 20.472 -7.807 -3.136 1.00 0.00 O ATOM 1997 OD2 ASP A 131 18.496 -8.764 -2.925 1.00 0.00 O ATOM 0 H ASP A 131 18.079 -8.752 -5.215 1.00 0.00 H new ATOM 0 HA ASP A 131 20.640 -8.708 -6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 131 19.622 -10.753 -4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 131 21.204 -10.000 -4.194 1.00 0.00 H new ATOM 2002 N GLY A 132 19.008 -11.587 -6.496 1.00 0.00 N ATOM 2003 CA GLY A 132 19.075 -12.890 -7.081 1.00 0.00 C ATOM 2004 C GLY A 132 19.304 -13.894 -6.004 1.00 0.00 C ATOM 2005 O GLY A 132 19.885 -14.951 -6.247 1.00 0.00 O ATOM 0 H GLY A 132 18.134 -11.388 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.150 -13.112 -7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 132 19.881 -12.933 -7.813 1.00 0.00 H new ATOM 2009 N ASP A 133 18.874 -13.630 -4.757 1.00 0.00 N ATOM 2010 CA ASP A 133 19.148 -14.516 -3.669 1.00 0.00 C ATOM 2011 C ASP A 133 17.946 -15.304 -3.278 1.00 0.00 C ATOM 2012 O ASP A 133 18.016 -16.448 -2.831 1.00 0.00 O ATOM 2013 CB ASP A 133 19.786 -13.714 -2.522 1.00 0.00 C ATOM 2014 CG ASP A 133 19.064 -12.456 -2.064 1.00 0.00 C ATOM 2015 OD1 ASP A 133 17.804 -12.446 -2.031 1.00 0.00 O ATOM 2016 OD2 ASP A 133 19.725 -11.391 -1.934 1.00 0.00 O ATOM 0 H ASP A 133 18.336 -12.802 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 133 19.870 -15.273 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 133 19.887 -14.377 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 133 20.794 -13.432 -2.827 1.00 0.00 H new ATOM 2021 N GLY A 134 16.725 -14.748 -3.378 1.00 0.00 N ATOM 2022 CA GLY A 134 15.514 -15.491 -3.223 1.00 0.00 C ATOM 2023 C GLY A 134 14.823 -15.104 -1.961 1.00 0.00 C ATOM 2024 O GLY A 134 13.754 -15.645 -1.681 1.00 0.00 O ATOM 0 H GLY A 134 16.577 -13.758 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 134 14.858 -15.310 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 134 15.734 -16.558 -3.212 1.00 0.00 H new ATOM 2028 N GLN A 135 15.312 -14.114 -1.195 1.00 0.00 N ATOM 2029 CA GLN A 135 14.640 -13.534 -0.074 1.00 0.00 C ATOM 2030 C GLN A 135 14.394 -12.083 -0.304 1.00 0.00 C ATOM 2031 O GLN A 135 15.177 -11.291 -0.827 1.00 0.00 O ATOM 2032 CB GLN A 135 15.389 -13.848 1.232 1.00 0.00 C ATOM 2033 CG GLN A 135 16.809 -13.284 1.320 1.00 0.00 C ATOM 2034 CD GLN A 135 17.337 -13.615 2.708 1.00 0.00 C ATOM 2035 OE1 GLN A 135 16.666 -14.310 3.470 1.00 0.00 O ATOM 2036 NE2 GLN A 135 18.604 -13.165 2.908 1.00 0.00 N ATOM 0 H GLN A 135 16.226 -13.695 -1.367 1.00 0.00 H new ATOM 0 HA GLN A 135 13.655 -13.987 0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 135 14.808 -13.459 2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 135 15.437 -14.930 1.354 1.00 0.00 H new ATOM 0 HG2 GLN A 135 17.446 -13.722 0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 135 16.806 -12.206 1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 135 19.060 -12.592 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 135 19.099 -13.401 3.768 1.00 0.00 H new ATOM 2045 N VAL A 136 13.146 -11.674 -0.013 1.00 0.00 N ATOM 2046 CA VAL A 136 12.671 -10.396 -0.445 1.00 0.00 C ATOM 2047 C VAL A 136 12.684 -9.453 0.708 1.00 0.00 C ATOM 2048 O VAL A 136 12.016 -9.658 1.720 1.00 0.00 O ATOM 2049 CB VAL A 136 11.296 -10.541 -1.026 1.00 0.00 C ATOM 2050 CG1 VAL A 136 10.529 -9.211 -1.131 1.00 0.00 C ATOM 2051 CG2 VAL A 136 11.491 -11.180 -2.412 1.00 0.00 C ATOM 0 H VAL A 136 12.470 -12.224 0.518 1.00 0.00 H new ATOM 0 HA VAL A 136 13.321 -9.993 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 136 10.681 -11.157 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.543 -9.392 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.418 -8.775 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 136 11.081 -8.522 -1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 136 10.521 -11.313 -2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.113 -10.531 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 136 11.977 -12.149 -2.301 1.00 0.00 H new ATOM 2061 N ASN A 137 13.420 -8.328 0.640 1.00 0.00 N ATOM 2062 CA ASN A 137 13.426 -7.332 1.666 1.00 0.00 C ATOM 2063 C ASN A 137 12.345 -6.322 1.486 1.00 0.00 C ATOM 2064 O ASN A 137 11.579 -6.364 0.524 1.00 0.00 O ATOM 2065 CB ASN A 137 14.822 -6.738 1.919 1.00 0.00 C ATOM 2066 CG ASN A 137 15.370 -6.088 0.657 1.00 0.00 C ATOM 2067 OD1 ASN A 137 14.674 -5.288 0.033 1.00 0.00 O ATOM 2068 ND2 ASN A 137 16.632 -6.369 0.235 1.00 0.00 N ATOM 0 H ASN A 137 14.027 -8.106 -0.149 1.00 0.00 H new ATOM 0 HA ASN A 137 13.180 -7.840 2.598 1.00 0.00 H new ATOM 0 HB2 ASN A 137 14.768 -6.000 2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 137 15.501 -7.523 2.253 1.00 0.00 H new ATOM 0 HD21 ASN A 137 17.003 -5.916 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 137 17.207 -7.033 0.754 1.00 0.00 H new ATOM 2075 N TYR A 138 12.279 -5.320 2.380 1.00 0.00 N ATOM 2076 CA TYR A 138 11.265 -4.327 2.210 1.00 0.00 C ATOM 2077 C TYR A 138 11.415 -3.408 1.047 1.00 0.00 C ATOM 2078 O TYR A 138 10.452 -2.939 0.442 1.00 0.00 O ATOM 2079 CB TYR A 138 11.179 -3.562 3.541 1.00 0.00 C ATOM 2080 CG TYR A 138 10.142 -2.499 3.420 1.00 0.00 C ATOM 2081 CD1 TYR A 138 8.890 -2.802 2.940 1.00 0.00 C ATOM 2082 CD2 TYR A 138 10.467 -1.171 3.569 1.00 0.00 C ATOM 2083 CE1 TYR A 138 7.969 -1.810 2.695 1.00 0.00 C ATOM 2084 CE2 TYR A 138 9.569 -0.193 3.213 1.00 0.00 C ATOM 2085 CZ TYR A 138 8.301 -0.478 2.763 1.00 0.00 C ATOM 2086 OH TYR A 138 7.345 0.523 2.490 1.00 0.00 O ATOM 0 H TYR A 138 12.895 -5.198 3.184 1.00 0.00 H new ATOM 0 HA TYR A 138 10.338 -4.843 1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 138 10.926 -4.244 4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 138 12.145 -3.120 3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.626 -3.832 2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 138 11.432 -0.895 3.968 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.956 -2.086 2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 138 9.871 0.841 3.290 1.00 0.00 H new ATOM 0 HH TYR A 138 7.759 1.406 2.588 1.00 0.00 H new ATOM 2096 N GLU A 139 12.657 -3.108 0.625 1.00 0.00 N ATOM 2097 CA GLU A 139 12.996 -2.320 -0.519 1.00 0.00 C ATOM 2098 C GLU A 139 12.570 -3.109 -1.709 1.00 0.00 C ATOM 2099 O GLU A 139 11.903 -2.589 -2.603 1.00 0.00 O ATOM 2100 CB GLU A 139 14.507 -2.038 -0.454 1.00 0.00 C ATOM 2101 CG GLU A 139 14.982 -0.922 -1.387 1.00 0.00 C ATOM 2102 CD GLU A 139 16.500 -0.972 -1.483 1.00 0.00 C ATOM 2103 OE1 GLU A 139 16.961 -1.840 -2.272 1.00 0.00 O ATOM 2104 OE2 GLU A 139 17.223 -0.153 -0.855 1.00 0.00 O ATOM 0 H GLU A 139 13.484 -3.442 1.121 1.00 0.00 H new ATOM 0 HA GLU A 139 12.500 -1.351 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.772 -1.776 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 139 15.046 -2.953 -0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 139 14.538 -1.042 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 139 14.660 0.048 -1.009 1.00 0.00 H new ATOM 2111 N GLU A 140 12.809 -4.431 -1.762 1.00 0.00 N ATOM 2112 CA GLU A 140 12.389 -5.256 -2.852 1.00 0.00 C ATOM 2113 C GLU A 140 10.907 -5.313 -2.994 1.00 0.00 C ATOM 2114 O GLU A 140 10.437 -5.256 -4.129 1.00 0.00 O ATOM 2115 CB GLU A 140 12.945 -6.688 -2.780 1.00 0.00 C ATOM 2116 CG GLU A 140 14.451 -6.646 -3.046 1.00 0.00 C ATOM 2117 CD GLU A 140 15.004 -8.062 -2.966 1.00 0.00 C ATOM 2118 OE1 GLU A 140 14.974 -8.674 -1.865 1.00 0.00 O ATOM 2119 OE2 GLU A 140 15.562 -8.492 -4.010 1.00 0.00 O ATOM 0 H GLU A 140 13.306 -4.939 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 140 12.808 -4.771 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 140 12.747 -7.121 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.450 -7.323 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 140 14.649 -6.219 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 140 14.945 -6.006 -2.315 1.00 0.00 H new ATOM 2126 N PHE A 141 10.187 -5.317 -1.858 1.00 0.00 N ATOM 2127 CA PHE A 141 8.771 -5.404 -1.679 1.00 0.00 C ATOM 2128 C PHE A 141 8.015 -4.220 -2.179 1.00 0.00 C ATOM 2129 O PHE A 141 6.942 -4.354 -2.765 1.00 0.00 O ATOM 2130 CB PHE A 141 8.412 -5.610 -0.198 1.00 0.00 C ATOM 2131 CG PHE A 141 6.997 -6.005 0.052 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.606 -7.274 -0.302 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.090 -5.083 0.519 1.00 0.00 C ATOM 2134 CE1 PHE A 141 5.314 -7.631 0.008 1.00 0.00 C ATOM 2135 CE2 PHE A 141 4.779 -5.457 0.696 1.00 0.00 C ATOM 2136 CZ PHE A 141 4.372 -6.754 0.493 1.00 0.00 C ATOM 0 H PHE A 141 10.660 -5.251 -0.957 1.00 0.00 H new ATOM 0 HA PHE A 141 8.473 -6.264 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 141 9.067 -6.376 0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 141 8.618 -4.687 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 141 7.279 -7.957 -0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.405 -4.075 0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 141 5.022 -8.661 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.054 -4.717 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.361 -7.069 0.704 1.00 0.00 H new ATOM 2146 N VAL A 142 8.661 -3.049 -2.038 1.00 0.00 N ATOM 2147 CA VAL A 142 8.145 -1.893 -2.703 1.00 0.00 C ATOM 2148 C VAL A 142 8.099 -1.969 -4.190 1.00 0.00 C ATOM 2149 O VAL A 142 7.083 -1.718 -4.837 1.00 0.00 O ATOM 2150 CB VAL A 142 8.830 -0.604 -2.359 1.00 0.00 C ATOM 2151 CG1 VAL A 142 8.236 0.644 -3.034 1.00 0.00 C ATOM 2152 CG2 VAL A 142 8.716 -0.363 -0.844 1.00 0.00 C ATOM 0 H VAL A 142 9.507 -2.903 -1.487 1.00 0.00 H new ATOM 0 HA VAL A 142 7.128 -1.893 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 142 9.854 -0.725 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 142 8.796 1.526 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.297 0.536 -4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.193 0.755 -2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 142 9.212 0.573 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 142 7.664 -0.306 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 142 9.191 -1.185 -0.308 1.00 0.00 H new ATOM 2162 N GLN A 143 9.190 -2.443 -4.817 1.00 0.00 N ATOM 2163 CA GLN A 143 9.257 -2.659 -6.229 1.00 0.00 C ATOM 2164 C GLN A 143 8.290 -3.654 -6.771 1.00 0.00 C ATOM 2165 O GLN A 143 7.724 -3.473 -7.848 1.00 0.00 O ATOM 2166 CB GLN A 143 10.703 -3.025 -6.607 1.00 0.00 C ATOM 2167 CG GLN A 143 11.052 -2.725 -8.066 1.00 0.00 C ATOM 2168 CD GLN A 143 12.556 -2.822 -8.280 1.00 0.00 C ATOM 2169 OE1 GLN A 143 13.397 -2.527 -7.433 1.00 0.00 O ATOM 2170 NE2 GLN A 143 13.012 -3.209 -9.501 1.00 0.00 N ATOM 0 H GLN A 143 10.052 -2.683 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 143 8.955 -1.723 -6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 143 11.388 -2.478 -5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.862 -4.086 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 143 10.538 -3.428 -8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.703 -1.727 -8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 143 12.351 -3.463 -10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 143 14.015 -3.245 -9.683 1.00 0.00 H new ATOM 2179 N MET A 144 7.949 -4.645 -5.928 1.00 0.00 N ATOM 2180 CA MET A 144 6.817 -5.458 -6.250 1.00 0.00 C ATOM 2181 C MET A 144 5.487 -4.787 -6.296 1.00 0.00 C ATOM 2182 O MET A 144 4.694 -4.824 -7.235 1.00 0.00 O ATOM 2183 CB MET A 144 6.761 -6.598 -5.219 1.00 0.00 C ATOM 2184 CG MET A 144 7.880 -7.640 -5.269 1.00 0.00 C ATOM 2185 SD MET A 144 7.808 -9.043 -4.115 1.00 0.00 S ATOM 2186 CE MET A 144 6.671 -10.026 -5.134 1.00 0.00 C ATOM 0 H MET A 144 8.432 -4.878 -5.060 1.00 0.00 H new ATOM 0 HA MET A 144 6.980 -5.787 -7.276 1.00 0.00 H new ATOM 0 HB2 MET A 144 6.757 -6.154 -4.224 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.810 -7.117 -5.340 1.00 0.00 H new ATOM 0 HG2 MET A 144 7.912 -8.044 -6.281 1.00 0.00 H new ATOM 0 HG3 MET A 144 8.824 -7.121 -5.102 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.973 -10.560 -4.489 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.117 -9.366 -5.801 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.240 -10.744 -5.725 1.00 0.00 H new ATOM 2196 N MET A 145 5.078 -4.121 -5.202 1.00 0.00 N ATOM 2197 CA MET A 145 3.712 -3.732 -5.034 1.00 0.00 C ATOM 2198 C MET A 145 3.499 -2.492 -5.832 1.00 0.00 C ATOM 2199 O MET A 145 2.399 -2.207 -6.304 1.00 0.00 O ATOM 2200 CB MET A 145 3.355 -3.479 -3.559 1.00 0.00 C ATOM 2201 CG MET A 145 3.387 -4.642 -2.566 1.00 0.00 C ATOM 2202 SD MET A 145 1.900 -5.687 -2.511 1.00 0.00 S ATOM 2203 CE MET A 145 0.934 -4.784 -1.267 1.00 0.00 C ATOM 0 H MET A 145 5.693 -3.852 -4.434 1.00 0.00 H new ATOM 0 HA MET A 145 3.065 -4.540 -5.375 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.034 -2.712 -3.186 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.351 -3.056 -3.534 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.242 -5.274 -2.805 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.559 -4.237 -1.569 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.022 -5.337 -1.042 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.525 -4.673 -0.358 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.674 -3.798 -1.653 1.00 0.00 H new