USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=21 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= 0.594 K(o=1,f=-6.8!) USER MOD Set 1.2: A 62 THR OG1 : rot 10:sc= 0.443 USER MOD Set 2.1: A 36 MET CE :methyl -139:sc= 0 (180deg=-0.072) USER MOD Set 2.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= -0.291 USER MOD Set 3.2: A 8 GLN : amide:sc= 0 X(o=-0.29,f=-0.0064) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -45:sc= 1.3 USER MOD Single : A 28 THR OG1 : rot -70:sc= 0.517 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 69:sc= 1.27 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 53 ASN : amide:sc=-0.00133 X(o=-0.0013,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -167:sc= -1.15 (180deg=-1.34) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.169 K(o=-0.17,f=-4.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -71:sc= 1.05 USER MOD Single : A 107 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 109 MET CE :methyl -172:sc= -0.23 (180deg=-0.294) USER MOD Single : A 110 THR OG1 : rot 64:sc= 0.581 USER MOD Single : A 111 ASN : amide:sc= -0.0298 X(o=-0.03,f=-0.16) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 124 MET CE :methyl -177:sc= 0 (180deg=-0.00828) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 137 ASN : amide:sc= -0.483 K(o=-0.48,f=-9!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.0546 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 144 MET CE :methyl -136:sc= -1.11 (180deg=-2.35!) USER MOD Single : A 145 MET CE :methyl -151:sc= -0.519 (180deg=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.611 16.084 0.913 1.00 0.00 N ATOM 59 CA THR A 5 -13.346 17.144 0.297 1.00 0.00 C ATOM 60 C THR A 5 -14.651 16.666 -0.238 1.00 0.00 C ATOM 61 O THR A 5 -14.835 15.484 -0.526 1.00 0.00 O ATOM 62 CB THR A 5 -12.619 18.042 -0.659 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.403 17.421 -1.918 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.265 18.545 -0.131 1.00 0.00 C ATOM 0 HA THR A 5 -13.526 17.825 1.128 1.00 0.00 H new ATOM 0 HB THR A 5 -13.282 18.900 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.928 18.040 -2.511 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.799 19.188 -0.878 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.420 19.110 0.788 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.614 17.694 0.071 1.00 0.00 H new ATOM 72 N GLU A 6 -15.638 17.562 -0.416 1.00 0.00 N ATOM 73 CA GLU A 6 -16.956 17.303 -0.907 1.00 0.00 C ATOM 74 C GLU A 6 -16.993 16.648 -2.245 1.00 0.00 C ATOM 75 O GLU A 6 -17.786 15.753 -2.533 1.00 0.00 O ATOM 76 CB GLU A 6 -17.716 18.627 -1.097 1.00 0.00 C ATOM 77 CG GLU A 6 -19.244 18.538 -1.094 1.00 0.00 C ATOM 78 CD GLU A 6 -19.954 19.538 -1.995 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.875 20.757 -1.687 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.648 19.092 -2.947 1.00 0.00 O ATOM 0 H GLU A 6 -15.501 18.549 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.398 16.641 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.412 19.313 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.401 19.070 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.534 17.532 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.598 18.678 -0.073 1.00 0.00 H new ATOM 87 N GLU A 7 -16.024 16.938 -3.131 1.00 0.00 N ATOM 88 CA GLU A 7 -15.707 16.440 -4.433 1.00 0.00 C ATOM 89 C GLU A 7 -15.294 15.012 -4.330 1.00 0.00 C ATOM 90 O GLU A 7 -15.711 14.064 -4.994 1.00 0.00 O ATOM 91 CB GLU A 7 -14.591 17.198 -5.171 1.00 0.00 C ATOM 92 CG GLU A 7 -15.155 18.562 -5.575 1.00 0.00 C ATOM 93 CD GLU A 7 -14.164 19.133 -6.580 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.947 19.315 -6.311 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.605 19.344 -7.741 1.00 0.00 O ATOM 0 H GLU A 7 -15.344 17.654 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.618 16.576 -5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.719 17.318 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.265 16.642 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.147 18.461 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.256 19.216 -4.709 1.00 0.00 H new ATOM 102 N GLN A 8 -14.401 14.739 -3.361 1.00 0.00 N ATOM 103 CA GLN A 8 -13.916 13.434 -3.037 1.00 0.00 C ATOM 104 C GLN A 8 -14.998 12.561 -2.500 1.00 0.00 C ATOM 105 O GLN A 8 -15.263 11.473 -3.009 1.00 0.00 O ATOM 106 CB GLN A 8 -12.699 13.297 -2.106 1.00 0.00 C ATOM 107 CG GLN A 8 -11.539 14.168 -2.591 1.00 0.00 C ATOM 108 CD GLN A 8 -10.286 14.098 -1.730 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.190 14.863 -0.772 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.277 13.264 -2.099 1.00 0.00 N ATOM 0 H GLN A 8 -13.997 15.468 -2.773 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.553 13.119 -4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.977 13.586 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.383 12.254 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.281 13.872 -3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.875 15.204 -2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.395 12.644 -2.900 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.402 13.259 -1.575 1.00 0.00 H new ATOM 119 N ILE A 9 -15.812 13.060 -1.554 1.00 0.00 N ATOM 120 CA ILE A 9 -16.955 12.381 -1.026 1.00 0.00 C ATOM 121 C ILE A 9 -18.038 12.141 -2.021 1.00 0.00 C ATOM 122 O ILE A 9 -18.737 11.130 -1.984 1.00 0.00 O ATOM 123 CB ILE A 9 -17.526 13.203 0.091 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.675 13.160 1.371 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.936 12.768 0.525 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.033 13.998 2.598 1.00 0.00 C ATOM 0 H ILE A 9 -15.667 13.980 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.605 11.403 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.546 14.204 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.644 12.120 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.660 13.435 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.281 13.409 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.619 12.853 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.908 11.733 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.303 13.818 3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.026 15.055 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.026 13.720 2.952 1.00 0.00 H new ATOM 138 N ALA A 10 -18.112 12.993 -3.059 1.00 0.00 N ATOM 139 CA ALA A 10 -18.938 12.951 -4.225 1.00 0.00 C ATOM 140 C ALA A 10 -18.598 11.853 -5.173 1.00 0.00 C ATOM 141 O ALA A 10 -19.442 11.106 -5.666 1.00 0.00 O ATOM 142 CB ALA A 10 -19.035 14.236 -5.065 1.00 0.00 C ATOM 0 H ALA A 10 -17.512 13.818 -3.078 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.904 12.785 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.692 14.065 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.439 15.042 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.043 14.513 -5.422 1.00 0.00 H new ATOM 148 N GLU A 11 -17.284 11.768 -5.447 1.00 0.00 N ATOM 149 CA GLU A 11 -16.794 10.644 -6.183 1.00 0.00 C ATOM 150 C GLU A 11 -16.907 9.316 -5.517 1.00 0.00 C ATOM 151 O GLU A 11 -17.181 8.290 -6.137 1.00 0.00 O ATOM 152 CB GLU A 11 -15.286 10.814 -6.432 1.00 0.00 C ATOM 153 CG GLU A 11 -14.899 11.858 -7.481 1.00 0.00 C ATOM 154 CD GLU A 11 -14.746 11.265 -8.874 1.00 0.00 C ATOM 155 OE1 GLU A 11 -15.450 10.283 -9.233 1.00 0.00 O ATOM 156 OE2 GLU A 11 -14.064 11.919 -9.707 1.00 0.00 O ATOM 0 H GLU A 11 -16.581 12.453 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.421 10.638 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.809 11.080 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.876 9.851 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.657 12.640 -7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.962 12.331 -7.188 1.00 0.00 H new ATOM 163 N PHE A 12 -16.736 9.291 -4.183 1.00 0.00 N ATOM 164 CA PHE A 12 -16.901 8.115 -3.386 1.00 0.00 C ATOM 165 C PHE A 12 -18.321 7.668 -3.332 1.00 0.00 C ATOM 166 O PHE A 12 -18.651 6.490 -3.459 1.00 0.00 O ATOM 167 CB PHE A 12 -16.330 8.271 -1.967 1.00 0.00 C ATOM 168 CG PHE A 12 -14.883 8.621 -1.901 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.084 8.506 -3.014 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.296 9.108 -0.757 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.880 9.171 -3.025 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.966 9.451 -0.690 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.265 9.580 -1.866 1.00 0.00 C ATOM 0 H PHE A 12 -16.475 10.115 -3.642 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.321 7.339 -3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.898 9.042 -1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.487 7.339 -1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.394 7.908 -3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.905 9.226 0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.404 9.378 -3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.484 9.615 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.265 9.989 -1.878 1.00 0.00 H new ATOM 183 N LYS A 13 -19.195 8.687 -3.253 1.00 0.00 N ATOM 184 CA LYS A 13 -20.618 8.574 -3.349 1.00 0.00 C ATOM 185 C LYS A 13 -21.097 8.060 -4.662 1.00 0.00 C ATOM 186 O LYS A 13 -21.949 7.180 -4.776 1.00 0.00 O ATOM 187 CB LYS A 13 -21.287 9.929 -3.064 1.00 0.00 C ATOM 188 CG LYS A 13 -22.794 9.911 -2.798 1.00 0.00 C ATOM 189 CD LYS A 13 -23.192 11.117 -1.945 1.00 0.00 C ATOM 190 CE LYS A 13 -22.957 12.531 -2.479 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.664 12.728 -3.764 1.00 0.00 N ATOM 0 H LYS A 13 -18.889 9.650 -3.113 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.903 7.839 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.795 10.376 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.100 10.586 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.338 9.928 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.070 8.988 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.256 11.024 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.662 11.034 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.305 13.263 -1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -21.889 12.701 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.492 13.694 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.313 12.042 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.685 12.587 -3.624 1.00 0.00 H new ATOM 205 N GLU A 14 -20.485 8.505 -5.774 1.00 0.00 N ATOM 206 CA GLU A 14 -20.650 7.966 -7.088 1.00 0.00 C ATOM 207 C GLU A 14 -20.275 6.533 -7.250 1.00 0.00 C ATOM 208 O GLU A 14 -21.004 5.741 -7.846 1.00 0.00 O ATOM 209 CB GLU A 14 -19.854 8.776 -8.125 1.00 0.00 C ATOM 210 CG GLU A 14 -20.555 8.927 -9.477 1.00 0.00 C ATOM 211 CD GLU A 14 -19.736 9.253 -10.717 1.00 0.00 C ATOM 212 OE1 GLU A 14 -18.913 8.381 -11.105 1.00 0.00 O ATOM 213 OE2 GLU A 14 -19.873 10.373 -11.278 1.00 0.00 O ATOM 0 H GLU A 14 -19.834 9.290 -5.753 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.725 8.037 -7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.655 9.768 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.888 8.295 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.088 7.997 -9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.307 9.708 -9.369 1.00 0.00 H new ATOM 220 N ALA A 15 -19.082 6.153 -6.760 1.00 0.00 N ATOM 221 CA ALA A 15 -18.580 4.816 -6.839 1.00 0.00 C ATOM 222 C ALA A 15 -19.421 3.886 -6.033 1.00 0.00 C ATOM 223 O ALA A 15 -19.501 2.704 -6.362 1.00 0.00 O ATOM 224 CB ALA A 15 -17.089 4.880 -6.466 1.00 0.00 C ATOM 0 H ALA A 15 -18.445 6.798 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.645 4.394 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.659 3.879 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.566 5.532 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.983 5.274 -5.455 1.00 0.00 H new ATOM 230 N PHE A 16 -20.111 4.399 -4.999 1.00 0.00 N ATOM 231 CA PHE A 16 -21.012 3.572 -4.258 1.00 0.00 C ATOM 232 C PHE A 16 -22.094 2.931 -5.057 1.00 0.00 C ATOM 233 O PHE A 16 -22.251 1.711 -5.063 1.00 0.00 O ATOM 234 CB PHE A 16 -21.597 4.391 -3.094 1.00 0.00 C ATOM 235 CG PHE A 16 -22.181 3.545 -2.016 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.359 2.867 -2.225 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.532 3.499 -0.805 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.907 2.164 -1.177 1.00 0.00 C ATOM 239 CE2 PHE A 16 -22.121 2.816 0.233 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.331 2.184 0.071 1.00 0.00 C ATOM 0 H PHE A 16 -20.048 5.366 -4.680 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.424 2.732 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.813 5.019 -2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.367 5.059 -3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.843 2.886 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.579 3.989 -0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.805 1.586 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.625 2.775 1.191 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.821 1.711 0.910 1.00 0.00 H new ATOM 250 N SER A 17 -22.896 3.682 -5.833 1.00 0.00 N ATOM 251 CA SER A 17 -23.961 3.278 -6.698 1.00 0.00 C ATOM 252 C SER A 17 -23.468 2.434 -7.822 1.00 0.00 C ATOM 253 O SER A 17 -24.273 1.711 -8.407 1.00 0.00 O ATOM 254 CB SER A 17 -24.592 4.509 -7.369 1.00 0.00 C ATOM 255 OG SER A 17 -25.426 5.241 -6.482 1.00 0.00 O ATOM 0 H SER A 17 -22.780 4.695 -5.853 1.00 0.00 H new ATOM 0 HA SER A 17 -24.668 2.729 -6.075 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.802 5.161 -7.742 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.176 4.190 -8.232 1.00 0.00 H new ATOM 0 HG SER A 17 -25.803 6.014 -6.951 1.00 0.00 H new ATOM 261 N LEU A 18 -22.172 2.381 -8.177 1.00 0.00 N ATOM 262 CA LEU A 18 -21.720 1.313 -9.013 1.00 0.00 C ATOM 263 C LEU A 18 -21.689 -0.059 -8.432 1.00 0.00 C ATOM 264 O LEU A 18 -21.984 -1.038 -9.116 1.00 0.00 O ATOM 265 CB LEU A 18 -20.323 1.569 -9.603 1.00 0.00 C ATOM 266 CG LEU A 18 -20.006 0.768 -10.877 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.038 1.824 -11.994 1.00 0.00 C ATOM 268 CD2 LEU A 18 -18.633 0.081 -10.785 1.00 0.00 C ATOM 0 H LEU A 18 -21.458 3.053 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.505 1.322 -9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.227 2.632 -9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.575 1.333 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.715 -0.042 -11.049 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.822 1.348 -12.951 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -21.026 2.284 -12.032 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.289 2.590 -11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.443 -0.476 -11.703 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.857 0.835 -10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.625 -0.604 -9.937 1.00 0.00 H new ATOM 280 N PHE A 19 -21.397 -0.187 -7.126 1.00 0.00 N ATOM 281 CA PHE A 19 -21.134 -1.416 -6.444 1.00 0.00 C ATOM 282 C PHE A 19 -22.407 -2.007 -5.942 1.00 0.00 C ATOM 283 O PHE A 19 -22.696 -3.195 -6.075 1.00 0.00 O ATOM 284 CB PHE A 19 -20.122 -1.234 -5.300 1.00 0.00 C ATOM 285 CG PHE A 19 -18.788 -0.906 -5.876 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.293 -1.663 -6.912 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.067 0.175 -5.426 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.142 -1.260 -7.547 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.922 0.547 -6.090 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.472 -0.107 -7.213 1.00 0.00 C ATOM 0 H PHE A 19 -21.341 0.621 -6.506 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.684 -2.105 -7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.449 -0.437 -4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.061 -2.145 -4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.802 -2.563 -7.223 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.397 0.727 -4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.747 -1.875 -8.342 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.354 1.385 -5.715 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.642 0.263 -7.797 1.00 0.00 H new ATOM 300 N ASP A 20 -23.339 -1.215 -5.383 1.00 0.00 N ATOM 301 CA ASP A 20 -24.630 -1.494 -4.834 1.00 0.00 C ATOM 302 C ASP A 20 -25.492 -1.817 -6.005 1.00 0.00 C ATOM 303 O ASP A 20 -25.753 -0.912 -6.797 1.00 0.00 O ATOM 304 CB ASP A 20 -25.196 -0.275 -4.086 1.00 0.00 C ATOM 305 CG ASP A 20 -26.370 -0.673 -3.203 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.948 -1.776 -3.396 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.735 0.160 -2.332 1.00 0.00 O ATOM 0 H ASP A 20 -23.148 -0.216 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.583 -2.309 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.414 0.177 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.516 0.480 -4.804 1.00 0.00 H new ATOM 312 N LYS A 21 -25.966 -3.074 -6.071 1.00 0.00 N ATOM 313 CA LYS A 21 -26.773 -3.597 -7.130 1.00 0.00 C ATOM 314 C LYS A 21 -28.248 -3.438 -6.995 1.00 0.00 C ATOM 315 O LYS A 21 -28.994 -3.253 -7.955 1.00 0.00 O ATOM 316 CB LYS A 21 -26.485 -5.108 -7.176 1.00 0.00 C ATOM 317 CG LYS A 21 -26.933 -5.797 -8.467 1.00 0.00 C ATOM 318 CD LYS A 21 -26.165 -7.113 -8.613 1.00 0.00 C ATOM 319 CE LYS A 21 -26.029 -7.648 -10.040 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.048 -8.749 -10.169 1.00 0.00 N ATOM 0 H LYS A 21 -25.775 -3.764 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.507 -3.030 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.414 -5.266 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.982 -5.586 -6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.006 -5.987 -8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.744 -5.152 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.166 -6.977 -8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.661 -7.871 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.003 -7.998 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.735 -6.831 -10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.007 -9.063 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.109 -8.414 -9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.338 -9.545 -9.566 1.00 0.00 H new ATOM 334 N ASP A 22 -28.717 -3.320 -5.740 1.00 0.00 N ATOM 335 CA ASP A 22 -30.064 -2.941 -5.446 1.00 0.00 C ATOM 336 C ASP A 22 -30.279 -1.467 -5.491 1.00 0.00 C ATOM 337 O ASP A 22 -31.355 -0.970 -5.821 1.00 0.00 O ATOM 338 CB ASP A 22 -30.379 -3.438 -4.025 1.00 0.00 C ATOM 339 CG ASP A 22 -29.773 -4.783 -3.650 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.612 -4.657 -3.178 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.394 -5.877 -3.723 1.00 0.00 O ATOM 0 H ASP A 22 -28.148 -3.492 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.715 -3.381 -6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.030 -2.691 -3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.461 -3.503 -3.914 1.00 0.00 H new ATOM 346 N GLY A 23 -29.237 -0.717 -5.090 1.00 0.00 N ATOM 347 CA GLY A 23 -29.270 0.700 -4.900 1.00 0.00 C ATOM 348 C GLY A 23 -29.907 0.982 -3.583 1.00 0.00 C ATOM 349 O GLY A 23 -30.525 2.037 -3.450 1.00 0.00 O ATOM 0 H GLY A 23 -28.323 -1.121 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.261 1.110 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.831 1.178 -5.703 1.00 0.00 H new ATOM 353 N ASP A 24 -29.856 0.165 -2.516 1.00 0.00 N ATOM 354 CA ASP A 24 -30.615 0.388 -1.324 1.00 0.00 C ATOM 355 C ASP A 24 -29.859 1.320 -0.441 1.00 0.00 C ATOM 356 O ASP A 24 -30.376 2.110 0.347 1.00 0.00 O ATOM 357 CB ASP A 24 -30.815 -0.896 -0.502 1.00 0.00 C ATOM 358 CG ASP A 24 -29.573 -1.733 -0.234 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.749 -2.086 -1.120 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.374 -2.045 0.970 1.00 0.00 O ATOM 0 H ASP A 24 -29.273 -0.671 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.583 0.778 -1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.255 -0.622 0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.543 -1.522 -1.019 1.00 0.00 H new ATOM 365 N GLY A 25 -28.518 1.331 -0.549 1.00 0.00 N ATOM 366 CA GLY A 25 -27.597 1.912 0.379 1.00 0.00 C ATOM 367 C GLY A 25 -26.729 1.087 1.266 1.00 0.00 C ATOM 368 O GLY A 25 -26.034 1.641 2.116 1.00 0.00 O ATOM 0 H GLY A 25 -28.044 0.902 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.932 2.552 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.179 2.564 1.030 1.00 0.00 H new ATOM 372 N THR A 26 -26.595 -0.246 1.143 1.00 0.00 N ATOM 373 CA THR A 26 -25.735 -1.070 1.934 1.00 0.00 C ATOM 374 C THR A 26 -24.945 -1.843 0.935 1.00 0.00 C ATOM 375 O THR A 26 -25.484 -2.429 -0.002 1.00 0.00 O ATOM 376 CB THR A 26 -26.424 -2.071 2.813 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.231 -3.006 2.110 1.00 0.00 O ATOM 378 CG2 THR A 26 -27.400 -1.358 3.764 1.00 0.00 C ATOM 0 H THR A 26 -27.119 -0.780 0.449 1.00 0.00 H new ATOM 0 HA THR A 26 -25.173 -0.424 2.609 1.00 0.00 H new ATOM 0 HB THR A 26 -25.610 -2.589 3.320 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.770 -2.535 1.440 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.894 -2.095 4.397 1.00 0.00 H new ATOM 0 HG22 THR A 26 -26.850 -0.653 4.388 1.00 0.00 H new ATOM 0 HG23 THR A 26 -28.148 -0.820 3.181 1.00 0.00 H new ATOM 386 N ILE A 27 -23.625 -1.933 1.176 1.00 0.00 N ATOM 387 CA ILE A 27 -22.742 -2.757 0.410 1.00 0.00 C ATOM 388 C ILE A 27 -22.647 -4.042 1.159 1.00 0.00 C ATOM 389 O ILE A 27 -22.089 -4.086 2.254 1.00 0.00 O ATOM 390 CB ILE A 27 -21.352 -2.246 0.172 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.237 -0.731 -0.068 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.972 -2.931 -1.152 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.869 -0.116 -0.364 1.00 0.00 C ATOM 0 H ILE A 27 -23.159 -1.419 1.924 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.167 -2.819 -0.592 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.735 -2.449 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.894 -0.482 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.636 -0.230 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.963 -2.635 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.010 -4.013 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.673 -2.631 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.977 0.959 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.196 -0.306 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.458 -0.562 -1.270 1.00 0.00 H new ATOM 405 N THR A 28 -23.181 -5.169 0.656 1.00 0.00 N ATOM 406 CA THR A 28 -23.050 -6.480 1.213 1.00 0.00 C ATOM 407 C THR A 28 -21.693 -7.063 1.013 1.00 0.00 C ATOM 408 O THR A 28 -20.801 -6.471 0.407 1.00 0.00 O ATOM 409 CB THR A 28 -24.111 -7.474 0.843 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.228 -7.539 -0.571 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.402 -6.936 1.483 1.00 0.00 C ATOM 0 H THR A 28 -23.741 -5.163 -0.196 1.00 0.00 H new ATOM 0 HA THR A 28 -23.204 -6.291 2.275 1.00 0.00 H new ATOM 0 HB THR A 28 -23.887 -8.483 1.190 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.631 -6.710 -0.904 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.228 -7.610 1.257 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.272 -6.870 2.563 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.621 -5.946 1.083 1.00 0.00 H new ATOM 419 N THR A 29 -21.536 -8.313 1.483 1.00 0.00 N ATOM 420 CA THR A 29 -20.485 -9.238 1.194 1.00 0.00 C ATOM 421 C THR A 29 -20.306 -9.491 -0.264 1.00 0.00 C ATOM 422 O THR A 29 -19.223 -9.568 -0.841 1.00 0.00 O ATOM 423 CB THR A 29 -20.405 -10.510 1.985 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.646 -11.181 1.825 1.00 0.00 O ATOM 425 CG2 THR A 29 -20.158 -10.231 3.477 1.00 0.00 C ATOM 0 H THR A 29 -22.215 -8.713 2.130 1.00 0.00 H new ATOM 0 HA THR A 29 -19.632 -8.675 1.572 1.00 0.00 H new ATOM 0 HB THR A 29 -19.572 -11.115 1.626 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.631 -12.022 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.106 -11.175 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 29 -19.218 -9.692 3.596 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.975 -9.629 3.875 1.00 0.00 H new ATOM 433 N LYS A 30 -21.456 -9.725 -0.920 1.00 0.00 N ATOM 434 CA LYS A 30 -21.458 -10.046 -2.314 1.00 0.00 C ATOM 435 C LYS A 30 -21.052 -8.835 -3.081 1.00 0.00 C ATOM 436 O LYS A 30 -20.457 -8.934 -4.152 1.00 0.00 O ATOM 437 CB LYS A 30 -22.777 -10.640 -2.836 1.00 0.00 C ATOM 438 CG LYS A 30 -23.138 -11.983 -2.199 1.00 0.00 C ATOM 439 CD LYS A 30 -24.486 -12.505 -2.700 1.00 0.00 C ATOM 440 CE LYS A 30 -24.782 -13.811 -1.959 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.637 -14.786 -2.671 1.00 0.00 N ATOM 0 H LYS A 30 -22.380 -9.692 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.737 -10.850 -2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.584 -9.931 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.706 -10.767 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.360 -12.712 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.170 -11.874 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.272 -11.773 -2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.455 -12.674 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.834 -14.294 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.259 -13.566 -1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.770 -15.629 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.562 -14.355 -2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.181 -15.060 -3.564 1.00 0.00 H new ATOM 455 N GLU A 31 -21.454 -7.665 -2.552 1.00 0.00 N ATOM 456 CA GLU A 31 -21.201 -6.416 -3.201 1.00 0.00 C ATOM 457 C GLU A 31 -19.831 -5.860 -3.019 1.00 0.00 C ATOM 458 O GLU A 31 -19.190 -5.434 -3.978 1.00 0.00 O ATOM 459 CB GLU A 31 -22.341 -5.428 -2.901 1.00 0.00 C ATOM 460 CG GLU A 31 -23.720 -5.928 -3.338 1.00 0.00 C ATOM 461 CD GLU A 31 -24.929 -5.151 -2.836 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.007 -4.960 -1.593 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.730 -4.620 -3.651 1.00 0.00 O ATOM 0 H GLU A 31 -21.958 -7.585 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.203 -6.614 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.361 -5.224 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.132 -4.483 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.749 -5.932 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.824 -6.963 -3.012 1.00 0.00 H new ATOM 470 N LEU A 32 -19.241 -6.092 -1.832 1.00 0.00 N ATOM 471 CA LEU A 32 -17.848 -6.009 -1.518 1.00 0.00 C ATOM 472 C LEU A 32 -17.090 -6.973 -2.364 1.00 0.00 C ATOM 473 O LEU A 32 -15.993 -6.647 -2.815 1.00 0.00 O ATOM 474 CB LEU A 32 -17.387 -6.156 -0.058 1.00 0.00 C ATOM 475 CG LEU A 32 -15.904 -5.895 0.255 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.619 -4.417 -0.062 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.604 -6.171 1.738 1.00 0.00 C ATOM 0 H LEU A 32 -19.793 -6.363 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.632 -4.962 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.983 -5.476 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.625 -7.168 0.268 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.275 -6.554 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.573 -4.195 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.826 -4.224 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.256 -3.783 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.550 -5.980 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.215 -5.518 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.834 -7.211 1.968 1.00 0.00 H new ATOM 489 N GLY A 33 -17.546 -8.195 -2.692 1.00 0.00 N ATOM 490 CA GLY A 33 -16.943 -8.992 -3.715 1.00 0.00 C ATOM 491 C GLY A 33 -16.702 -8.258 -4.989 1.00 0.00 C ATOM 492 O GLY A 33 -15.623 -8.437 -5.551 1.00 0.00 O ATOM 0 H GLY A 33 -18.346 -8.637 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.994 -9.381 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.583 -9.851 -3.917 1.00 0.00 H new ATOM 496 N THR A 34 -17.647 -7.427 -5.465 1.00 0.00 N ATOM 497 CA THR A 34 -17.679 -6.766 -6.733 1.00 0.00 C ATOM 498 C THR A 34 -16.627 -5.720 -6.879 1.00 0.00 C ATOM 499 O THR A 34 -16.086 -5.405 -7.937 1.00 0.00 O ATOM 500 CB THR A 34 -18.993 -6.121 -7.061 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.078 -7.036 -7.020 1.00 0.00 O ATOM 502 CG2 THR A 34 -18.995 -5.627 -8.517 1.00 0.00 C ATOM 0 H THR A 34 -18.468 -7.197 -4.905 1.00 0.00 H new ATOM 0 HA THR A 34 -17.498 -7.585 -7.430 1.00 0.00 H new ATOM 0 HB THR A 34 -19.110 -5.327 -6.323 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.910 -6.567 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.954 -5.161 -8.742 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.196 -4.898 -8.655 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.836 -6.471 -9.188 1.00 0.00 H new ATOM 510 N VAL A 35 -16.268 -5.162 -5.709 1.00 0.00 N ATOM 511 CA VAL A 35 -15.166 -4.270 -5.523 1.00 0.00 C ATOM 512 C VAL A 35 -13.838 -4.911 -5.736 1.00 0.00 C ATOM 513 O VAL A 35 -13.007 -4.377 -6.470 1.00 0.00 O ATOM 514 CB VAL A 35 -15.208 -3.682 -4.144 1.00 0.00 C ATOM 515 CG1 VAL A 35 -13.904 -3.004 -3.690 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.361 -2.671 -4.027 1.00 0.00 C ATOM 0 H VAL A 35 -16.776 -5.344 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.275 -3.494 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.360 -4.534 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.031 -2.609 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.094 -3.733 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.662 -2.188 -4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.378 -2.253 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.216 -1.869 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.307 -3.174 -4.227 1.00 0.00 H new ATOM 526 N MET A 36 -13.553 -6.110 -5.198 1.00 0.00 N ATOM 527 CA MET A 36 -12.301 -6.795 -5.288 1.00 0.00 C ATOM 528 C MET A 36 -12.214 -7.427 -6.635 1.00 0.00 C ATOM 529 O MET A 36 -11.123 -7.269 -7.180 1.00 0.00 O ATOM 530 CB MET A 36 -12.259 -7.846 -4.165 1.00 0.00 C ATOM 531 CG MET A 36 -12.274 -7.405 -2.700 1.00 0.00 C ATOM 532 SD MET A 36 -11.655 -8.693 -1.576 1.00 0.00 S ATOM 533 CE MET A 36 -9.884 -8.378 -1.826 1.00 0.00 C ATOM 0 H MET A 36 -14.245 -6.636 -4.664 1.00 0.00 H new ATOM 0 HA MET A 36 -11.453 -6.121 -5.169 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.111 -8.510 -4.312 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.359 -8.443 -4.314 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.666 -6.507 -2.588 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.292 -7.138 -2.415 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.351 -9.327 -1.889 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.741 -7.819 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.496 -7.799 -0.988 1.00 0.00 H new ATOM 543 N ARG A 37 -13.272 -8.062 -7.170 1.00 0.00 N ATOM 544 CA ARG A 37 -13.377 -8.461 -8.539 1.00 0.00 C ATOM 545 C ARG A 37 -13.045 -7.443 -9.576 1.00 0.00 C ATOM 546 O ARG A 37 -12.277 -7.653 -10.513 1.00 0.00 O ATOM 547 CB ARG A 37 -14.749 -9.088 -8.839 1.00 0.00 C ATOM 548 CG ARG A 37 -15.057 -10.395 -8.107 1.00 0.00 C ATOM 549 CD ARG A 37 -14.095 -11.506 -8.534 1.00 0.00 C ATOM 550 NE ARG A 37 -14.316 -11.549 -10.007 1.00 0.00 N ATOM 551 CZ ARG A 37 -13.340 -11.515 -10.961 1.00 0.00 C ATOM 552 NH1 ARG A 37 -12.037 -11.260 -10.645 1.00 0.00 N ATOM 553 NH2 ARG A 37 -13.615 -11.668 -12.289 1.00 0.00 N ATOM 0 H ARG A 37 -14.095 -8.309 -6.620 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.582 -9.201 -8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.522 -8.362 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.818 -9.269 -9.912 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.982 -10.239 -7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.083 -10.699 -8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.061 -11.271 -8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.331 -12.457 -8.057 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.281 -11.609 -10.331 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.772 -11.089 -9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.329 -11.241 -11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.576 -11.814 -12.597 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.859 -11.637 -12.973 1.00 0.00 H new ATOM 567 N SER A 38 -13.481 -6.188 -9.370 1.00 0.00 N ATOM 568 CA SER A 38 -13.114 -5.075 -10.189 1.00 0.00 C ATOM 569 C SER A 38 -11.698 -4.635 -10.039 1.00 0.00 C ATOM 570 O SER A 38 -11.178 -3.961 -10.927 1.00 0.00 O ATOM 571 CB SER A 38 -13.930 -3.776 -10.082 1.00 0.00 C ATOM 572 OG SER A 38 -15.296 -4.146 -10.195 1.00 0.00 O ATOM 0 H SER A 38 -14.111 -5.939 -8.607 1.00 0.00 H new ATOM 0 HA SER A 38 -13.325 -5.543 -11.151 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.741 -3.277 -9.132 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.651 -3.077 -10.870 1.00 0.00 H new ATOM 0 HG SER A 38 -15.567 -4.646 -9.397 1.00 0.00 H new ATOM 578 N LEU A 39 -10.991 -4.982 -8.948 1.00 0.00 N ATOM 579 CA LEU A 39 -9.620 -4.611 -8.784 1.00 0.00 C ATOM 580 C LEU A 39 -8.794 -5.814 -9.086 1.00 0.00 C ATOM 581 O LEU A 39 -7.657 -5.979 -8.647 1.00 0.00 O ATOM 582 CB LEU A 39 -9.257 -4.010 -7.416 1.00 0.00 C ATOM 583 CG LEU A 39 -10.047 -2.725 -7.117 1.00 0.00 C ATOM 584 CD1 LEU A 39 -9.730 -2.245 -5.690 1.00 0.00 C ATOM 585 CD2 LEU A 39 -9.869 -1.599 -8.149 1.00 0.00 C ATOM 0 H LEU A 39 -11.374 -5.524 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.416 -3.794 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.453 -4.745 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.189 -3.793 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.102 -2.988 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.291 -1.334 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.012 -3.018 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.663 -2.042 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.464 -0.736 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.818 -1.315 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.198 -1.947 -9.128 1.00 0.00 H new ATOM 597 N GLY A 40 -9.321 -6.812 -9.817 1.00 0.00 N ATOM 598 CA GLY A 40 -8.609 -7.928 -10.357 1.00 0.00 C ATOM 599 C GLY A 40 -8.421 -9.078 -9.428 1.00 0.00 C ATOM 600 O GLY A 40 -7.595 -9.938 -9.731 1.00 0.00 O ATOM 0 H GLY A 40 -10.315 -6.840 -10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.138 -8.281 -11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.628 -7.586 -10.687 1.00 0.00 H new ATOM 604 N GLN A 41 -9.124 -9.185 -8.287 1.00 0.00 N ATOM 605 CA GLN A 41 -8.910 -10.112 -7.220 1.00 0.00 C ATOM 606 C GLN A 41 -9.839 -11.275 -7.292 1.00 0.00 C ATOM 607 O GLN A 41 -10.844 -11.187 -7.997 1.00 0.00 O ATOM 608 CB GLN A 41 -8.785 -9.413 -5.856 1.00 0.00 C ATOM 609 CG GLN A 41 -7.631 -8.410 -5.895 1.00 0.00 C ATOM 610 CD GLN A 41 -7.406 -7.558 -4.653 1.00 0.00 C ATOM 611 OE1 GLN A 41 -7.903 -6.435 -4.597 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.707 -8.147 -3.646 1.00 0.00 N ATOM 0 H GLN A 41 -9.912 -8.566 -8.096 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.929 -10.569 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.716 -8.902 -5.612 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.612 -10.151 -5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.712 -8.960 -6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.794 -7.740 -6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.325 -9.085 -3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.565 -7.651 -2.766 1.00 0.00 H new ATOM 621 N ASN A 42 -9.619 -12.342 -6.504 1.00 0.00 N ATOM 622 CA ASN A 42 -10.400 -13.539 -6.445 1.00 0.00 C ATOM 623 C ASN A 42 -10.664 -13.931 -5.032 1.00 0.00 C ATOM 624 O ASN A 42 -10.094 -14.934 -4.607 1.00 0.00 O ATOM 625 CB ASN A 42 -9.802 -14.731 -7.211 1.00 0.00 C ATOM 626 CG ASN A 42 -9.953 -14.538 -8.713 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.078 -14.581 -9.208 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.791 -14.485 -9.416 1.00 0.00 N ATOM 0 H ASN A 42 -8.831 -12.369 -5.856 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.334 -13.291 -6.949 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.747 -14.840 -6.958 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.300 -15.652 -6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.812 -14.479 -10.436 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.898 -14.452 -8.924 1.00 0.00 H new ATOM 635 N PRO A 43 -11.455 -13.238 -4.267 1.00 0.00 N ATOM 636 CA PRO A 43 -11.790 -13.699 -2.951 1.00 0.00 C ATOM 637 C PRO A 43 -12.564 -14.970 -2.894 1.00 0.00 C ATOM 638 O PRO A 43 -13.222 -15.445 -3.819 1.00 0.00 O ATOM 639 CB PRO A 43 -12.463 -12.495 -2.294 1.00 0.00 C ATOM 640 CG PRO A 43 -13.170 -11.809 -3.473 1.00 0.00 C ATOM 641 CD PRO A 43 -12.219 -12.062 -4.654 1.00 0.00 C ATOM 0 HA PRO A 43 -10.902 -14.012 -2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.169 -12.799 -1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.736 -11.835 -1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.157 -12.235 -3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.311 -10.743 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.772 -12.235 -5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.567 -11.206 -4.828 1.00 0.00 H new ATOM 649 N THR A 44 -12.614 -15.520 -1.667 1.00 0.00 N ATOM 650 CA THR A 44 -13.474 -16.568 -1.215 1.00 0.00 C ATOM 651 C THR A 44 -14.588 -15.932 -0.456 1.00 0.00 C ATOM 652 O THR A 44 -14.433 -14.814 0.033 1.00 0.00 O ATOM 653 CB THR A 44 -12.956 -17.762 -0.468 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.362 -17.285 0.730 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.882 -18.447 -1.329 1.00 0.00 C ATOM 0 H THR A 44 -11.993 -15.199 -0.924 1.00 0.00 H new ATOM 0 HA THR A 44 -13.744 -17.061 -2.149 1.00 0.00 H new ATOM 0 HB THR A 44 -13.754 -18.471 -0.247 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.013 -18.042 1.246 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.494 -19.318 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.321 -18.762 -2.276 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.069 -17.747 -1.521 1.00 0.00 H new ATOM 663 N GLU A 45 -15.776 -16.538 -0.284 1.00 0.00 N ATOM 664 CA GLU A 45 -16.814 -15.952 0.506 1.00 0.00 C ATOM 665 C GLU A 45 -16.572 -15.982 1.976 1.00 0.00 C ATOM 666 O GLU A 45 -17.133 -15.164 2.703 1.00 0.00 O ATOM 667 CB GLU A 45 -18.072 -16.815 0.311 1.00 0.00 C ATOM 668 CG GLU A 45 -18.580 -16.809 -1.132 1.00 0.00 C ATOM 669 CD GLU A 45 -19.259 -18.076 -1.631 1.00 0.00 C ATOM 670 OE1 GLU A 45 -20.286 -18.452 -1.006 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.788 -18.553 -2.698 1.00 0.00 O ATOM 0 H GLU A 45 -16.019 -17.439 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.888 -14.913 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.853 -17.840 0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.861 -16.453 0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.283 -15.983 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.735 -16.597 -1.788 1.00 0.00 H new ATOM 678 N ALA A 46 -15.653 -16.831 2.470 1.00 0.00 N ATOM 679 CA ALA A 46 -15.083 -16.798 3.781 1.00 0.00 C ATOM 680 C ALA A 46 -14.216 -15.611 4.025 1.00 0.00 C ATOM 681 O ALA A 46 -14.220 -14.957 5.067 1.00 0.00 O ATOM 682 CB ALA A 46 -14.334 -18.105 4.090 1.00 0.00 C ATOM 0 H ALA A 46 -15.281 -17.598 1.909 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.921 -16.702 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.910 -18.053 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.027 -18.944 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.533 -18.245 3.365 1.00 0.00 H new ATOM 688 N GLU A 47 -13.371 -15.172 3.075 1.00 0.00 N ATOM 689 CA GLU A 47 -12.522 -14.033 3.237 1.00 0.00 C ATOM 690 C GLU A 47 -13.305 -12.767 3.307 1.00 0.00 C ATOM 691 O GLU A 47 -13.171 -11.904 4.173 1.00 0.00 O ATOM 692 CB GLU A 47 -11.461 -13.948 2.127 1.00 0.00 C ATOM 693 CG GLU A 47 -10.375 -15.027 2.137 1.00 0.00 C ATOM 694 CD GLU A 47 -9.448 -14.918 0.935 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.865 -14.878 -0.254 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.228 -14.784 1.219 1.00 0.00 O ATOM 0 H GLU A 47 -13.276 -15.624 2.166 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.004 -14.163 4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.971 -13.986 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.975 -12.974 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.791 -14.944 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.843 -16.011 2.145 1.00 0.00 H new ATOM 703 N LEU A 48 -14.409 -12.647 2.549 1.00 0.00 N ATOM 704 CA LEU A 48 -15.324 -11.549 2.496 1.00 0.00 C ATOM 705 C LEU A 48 -16.103 -11.513 3.766 1.00 0.00 C ATOM 706 O LEU A 48 -16.332 -10.411 4.263 1.00 0.00 O ATOM 707 CB LEU A 48 -16.294 -11.770 1.323 1.00 0.00 C ATOM 708 CG LEU A 48 -15.633 -11.448 -0.028 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.493 -11.851 -1.238 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.496 -9.924 -0.176 1.00 0.00 C ATOM 0 H LEU A 48 -14.686 -13.393 1.911 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.782 -10.613 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.636 -12.805 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.175 -11.143 1.456 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.689 -11.993 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.968 -11.596 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.678 -12.925 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.443 -11.318 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.028 -9.692 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.483 -9.464 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.880 -9.534 0.634 1.00 0.00 H new ATOM 722 N GLN A 49 -16.519 -12.628 4.393 1.00 0.00 N ATOM 723 CA GLN A 49 -17.126 -12.590 5.687 1.00 0.00 C ATOM 724 C GLN A 49 -16.211 -12.131 6.770 1.00 0.00 C ATOM 725 O GLN A 49 -16.676 -11.557 7.754 1.00 0.00 O ATOM 726 CB GLN A 49 -17.801 -13.916 6.077 1.00 0.00 C ATOM 727 CG GLN A 49 -19.240 -14.049 5.574 1.00 0.00 C ATOM 728 CD GLN A 49 -20.056 -14.919 6.519 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.557 -15.863 7.129 1.00 0.00 O ATOM 730 NE2 GLN A 49 -21.379 -14.640 6.660 1.00 0.00 N ATOM 0 H GLN A 49 -16.433 -13.565 3.999 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.906 -11.835 5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.210 -14.743 5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.796 -14.010 7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.696 -13.062 5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.244 -14.484 4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -21.792 -13.857 6.154 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -21.959 -15.214 7.272 1.00 0.00 H new ATOM 739 N ASP A 50 -14.906 -12.419 6.622 1.00 0.00 N ATOM 740 CA ASP A 50 -13.921 -11.975 7.559 1.00 0.00 C ATOM 741 C ASP A 50 -13.631 -10.515 7.501 1.00 0.00 C ATOM 742 O ASP A 50 -13.465 -9.817 8.500 1.00 0.00 O ATOM 743 CB ASP A 50 -12.671 -12.853 7.379 1.00 0.00 C ATOM 744 CG ASP A 50 -11.850 -12.916 8.659 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.446 -13.423 9.646 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.711 -12.385 8.743 1.00 0.00 O ATOM 0 H ASP A 50 -14.530 -12.964 5.846 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.317 -12.098 8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.970 -13.860 7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.058 -12.455 6.570 1.00 0.00 H new ATOM 751 N MET A 51 -13.522 -9.972 6.275 1.00 0.00 N ATOM 752 CA MET A 51 -13.114 -8.621 6.045 1.00 0.00 C ATOM 753 C MET A 51 -14.196 -7.643 6.351 1.00 0.00 C ATOM 754 O MET A 51 -13.893 -6.563 6.855 1.00 0.00 O ATOM 755 CB MET A 51 -12.936 -8.567 4.519 1.00 0.00 C ATOM 756 CG MET A 51 -11.575 -9.162 4.151 1.00 0.00 C ATOM 757 SD MET A 51 -11.358 -9.222 2.347 1.00 0.00 S ATOM 758 CE MET A 51 -9.558 -9.380 2.170 1.00 0.00 C ATOM 0 H MET A 51 -13.724 -10.488 5.419 1.00 0.00 H new ATOM 0 HA MET A 51 -12.244 -8.375 6.654 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.734 -9.123 4.028 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.003 -7.537 4.169 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.780 -8.564 4.597 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.489 -10.167 4.565 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.299 -9.426 1.112 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.071 -8.518 2.625 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.222 -10.291 2.666 1.00 0.00 H new ATOM 768 N ILE A 52 -15.466 -8.060 6.204 1.00 0.00 N ATOM 769 CA ILE A 52 -16.670 -7.335 6.470 1.00 0.00 C ATOM 770 C ILE A 52 -16.848 -6.954 7.899 1.00 0.00 C ATOM 771 O ILE A 52 -17.528 -5.977 8.210 1.00 0.00 O ATOM 772 CB ILE A 52 -17.857 -7.978 5.817 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.918 -7.008 5.272 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.568 -8.895 6.826 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.477 -6.216 4.041 1.00 0.00 C ATOM 0 H ILE A 52 -15.667 -9.000 5.864 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.571 -6.363 5.987 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.440 -8.514 4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -19.816 -7.574 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.192 -6.307 6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.430 -9.361 6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.878 -9.668 7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.900 -8.306 7.681 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.285 -5.557 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.598 -5.620 4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.232 -6.906 3.233 1.00 0.00 H new ATOM 787 N ASN A 53 -16.233 -7.762 8.781 1.00 0.00 N ATOM 788 CA ASN A 53 -16.130 -7.483 10.180 1.00 0.00 C ATOM 789 C ASN A 53 -15.213 -6.361 10.528 1.00 0.00 C ATOM 790 O ASN A 53 -15.449 -5.669 11.517 1.00 0.00 O ATOM 791 CB ASN A 53 -15.816 -8.794 10.919 1.00 0.00 C ATOM 792 CG ASN A 53 -16.043 -8.603 12.412 1.00 0.00 C ATOM 793 OD1 ASN A 53 -15.186 -8.610 13.294 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.356 -8.562 12.764 1.00 0.00 N ATOM 0 H ASN A 53 -15.792 -8.641 8.511 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.093 -7.103 10.520 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.451 -9.596 10.544 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.784 -9.091 10.732 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.619 -8.537 13.749 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -18.077 -8.556 12.043 1.00 0.00 H new ATOM 801 N GLU A 54 -14.177 -6.143 9.700 1.00 0.00 N ATOM 802 CA GLU A 54 -13.249 -5.095 9.995 1.00 0.00 C ATOM 803 C GLU A 54 -13.725 -3.769 9.509 1.00 0.00 C ATOM 804 O GLU A 54 -13.688 -2.806 10.273 1.00 0.00 O ATOM 805 CB GLU A 54 -11.923 -5.425 9.290 1.00 0.00 C ATOM 806 CG GLU A 54 -11.224 -6.601 9.974 1.00 0.00 C ATOM 807 CD GLU A 54 -10.778 -6.378 11.412 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.932 -5.506 11.746 1.00 0.00 O ATOM 809 OE2 GLU A 54 -11.475 -6.971 12.277 1.00 0.00 O ATOM 0 H GLU A 54 -13.984 -6.674 8.851 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.134 -5.032 11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.112 -5.667 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.272 -4.551 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.898 -7.458 9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.349 -6.870 9.382 1.00 0.00 H new ATOM 816 N VAL A 55 -14.328 -3.712 8.308 1.00 0.00 N ATOM 817 CA VAL A 55 -14.713 -2.521 7.616 1.00 0.00 C ATOM 818 C VAL A 55 -16.123 -2.188 7.962 1.00 0.00 C ATOM 819 O VAL A 55 -16.944 -1.938 7.080 1.00 0.00 O ATOM 820 CB VAL A 55 -14.520 -2.574 6.129 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.005 -2.747 5.929 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.270 -3.747 5.476 1.00 0.00 C ATOM 0 H VAL A 55 -14.562 -4.556 7.786 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.041 -1.732 7.953 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.916 -1.673 5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.782 -2.794 4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.480 -1.901 6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.677 -3.669 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.095 -3.737 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.909 -4.687 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.338 -3.650 5.671 1.00 0.00 H new ATOM 832 N ASP A 56 -16.497 -2.262 9.252 1.00 0.00 N ATOM 833 CA ASP A 56 -17.847 -1.997 9.640 1.00 0.00 C ATOM 834 C ASP A 56 -17.695 -1.488 11.032 1.00 0.00 C ATOM 835 O ASP A 56 -17.544 -2.222 12.008 1.00 0.00 O ATOM 836 CB ASP A 56 -18.636 -3.317 9.621 1.00 0.00 C ATOM 837 CG ASP A 56 -20.118 -3.225 9.957 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.590 -2.063 10.071 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.795 -4.280 10.088 1.00 0.00 O ATOM 0 H ASP A 56 -15.871 -2.503 10.020 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.378 -1.299 8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.537 -3.760 8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.168 -4.005 10.325 1.00 0.00 H new ATOM 844 N ALA A 57 -17.817 -0.167 11.254 1.00 0.00 N ATOM 845 CA ALA A 57 -17.928 0.441 12.543 1.00 0.00 C ATOM 846 C ALA A 57 -19.171 0.077 13.280 1.00 0.00 C ATOM 847 O ALA A 57 -19.096 -0.459 14.384 1.00 0.00 O ATOM 848 CB ALA A 57 -17.705 1.949 12.339 1.00 0.00 C ATOM 0 H ALA A 57 -17.839 0.512 10.493 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.164 0.053 13.217 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.780 2.461 13.298 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.715 2.116 11.915 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.462 2.340 11.659 1.00 0.00 H new ATOM 854 N ASP A 58 -20.362 0.430 12.766 1.00 0.00 N ATOM 855 CA ASP A 58 -21.627 0.204 13.393 1.00 0.00 C ATOM 856 C ASP A 58 -21.922 -1.216 13.735 1.00 0.00 C ATOM 857 O ASP A 58 -22.638 -1.479 14.700 1.00 0.00 O ATOM 858 CB ASP A 58 -22.827 0.965 12.804 1.00 0.00 C ATOM 859 CG ASP A 58 -22.958 0.579 11.338 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.314 -0.582 11.001 1.00 0.00 O ATOM 861 OD2 ASP A 58 -22.634 1.403 10.442 1.00 0.00 O ATOM 0 H ASP A 58 -20.447 0.899 11.864 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.475 0.692 14.356 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.739 0.716 13.346 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.681 2.041 12.903 1.00 0.00 H new ATOM 866 N GLY A 59 -21.348 -2.158 12.965 1.00 0.00 N ATOM 867 CA GLY A 59 -21.501 -3.546 13.271 1.00 0.00 C ATOM 868 C GLY A 59 -22.708 -4.166 12.656 1.00 0.00 C ATOM 869 O GLY A 59 -23.161 -5.194 13.157 1.00 0.00 O ATOM 0 H GLY A 59 -20.783 -1.961 12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.615 -4.083 12.932 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.553 -3.667 14.353 1.00 0.00 H new ATOM 873 N ASN A 60 -23.376 -3.588 11.642 1.00 0.00 N ATOM 874 CA ASN A 60 -24.577 -4.052 11.020 1.00 0.00 C ATOM 875 C ASN A 60 -24.370 -5.245 10.152 1.00 0.00 C ATOM 876 O ASN A 60 -25.301 -6.040 10.038 1.00 0.00 O ATOM 877 CB ASN A 60 -25.508 -2.958 10.471 1.00 0.00 C ATOM 878 CG ASN A 60 -24.825 -2.186 9.351 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.791 -2.525 8.777 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.361 -1.002 8.952 1.00 0.00 N ATOM 0 H ASN A 60 -23.045 -2.720 11.222 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.184 -4.434 11.840 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.429 -3.409 10.100 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.788 -2.275 11.273 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.906 -0.457 8.220 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.218 -0.659 9.385 1.00 0.00 H new ATOM 887 N GLY A 61 -23.142 -5.464 9.650 1.00 0.00 N ATOM 888 CA GLY A 61 -22.886 -6.582 8.795 1.00 0.00 C ATOM 889 C GLY A 61 -22.795 -6.082 7.394 1.00 0.00 C ATOM 890 O GLY A 61 -22.536 -6.899 6.511 1.00 0.00 O ATOM 0 H GLY A 61 -22.332 -4.872 9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.959 -7.077 9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.683 -7.320 8.885 1.00 0.00 H new ATOM 894 N THR A 62 -22.933 -4.767 7.151 1.00 0.00 N ATOM 895 CA THR A 62 -22.798 -4.247 5.825 1.00 0.00 C ATOM 896 C THR A 62 -21.951 -3.026 5.935 1.00 0.00 C ATOM 897 O THR A 62 -21.749 -2.359 6.948 1.00 0.00 O ATOM 898 CB THR A 62 -24.072 -3.759 5.202 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.792 -2.996 6.159 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.854 -5.041 4.871 1.00 0.00 C ATOM 0 H THR A 62 -23.136 -4.068 7.866 1.00 0.00 H new ATOM 0 HA THR A 62 -22.407 -5.061 5.215 1.00 0.00 H new ATOM 0 HB THR A 62 -23.905 -3.135 4.324 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.224 -2.830 6.940 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.806 -4.778 4.409 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.273 -5.654 4.182 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.038 -5.602 5.787 1.00 0.00 H new ATOM 908 N ILE A 63 -21.363 -2.581 4.810 1.00 0.00 N ATOM 909 CA ILE A 63 -20.635 -1.357 4.684 1.00 0.00 C ATOM 910 C ILE A 63 -21.617 -0.290 4.343 1.00 0.00 C ATOM 911 O ILE A 63 -22.301 -0.426 3.329 1.00 0.00 O ATOM 912 CB ILE A 63 -19.574 -1.368 3.623 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.701 -2.631 3.715 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.741 -0.092 3.828 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.750 -2.841 2.537 1.00 0.00 C ATOM 0 H ILE A 63 -21.398 -3.108 3.937 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.120 -1.193 5.631 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.019 -1.386 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.115 -2.584 4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.353 -3.501 3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.951 -0.049 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.384 0.782 3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.297 -0.103 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.177 -3.755 2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.326 -2.924 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.068 -1.993 2.464 1.00 0.00 H new ATOM 927 N ASP A 64 -21.804 0.769 5.151 1.00 0.00 N ATOM 928 CA ASP A 64 -22.607 1.904 4.816 1.00 0.00 C ATOM 929 C ASP A 64 -21.648 2.927 4.314 1.00 0.00 C ATOM 930 O ASP A 64 -20.436 2.902 4.527 1.00 0.00 O ATOM 931 CB ASP A 64 -23.454 2.454 5.976 1.00 0.00 C ATOM 932 CG ASP A 64 -24.113 1.312 6.737 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.476 0.503 7.463 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.373 1.322 6.737 1.00 0.00 O ATOM 0 H ASP A 64 -21.378 0.837 6.075 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.353 1.618 4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.825 3.035 6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.216 3.130 5.590 1.00 0.00 H new ATOM 939 N PHE A 65 -22.203 4.024 3.769 1.00 0.00 N ATOM 940 CA PHE A 65 -21.507 5.173 3.278 1.00 0.00 C ATOM 941 C PHE A 65 -20.427 5.729 4.140 1.00 0.00 C ATOM 942 O PHE A 65 -19.352 5.841 3.553 1.00 0.00 O ATOM 943 CB PHE A 65 -22.441 6.192 2.604 1.00 0.00 C ATOM 944 CG PHE A 65 -21.759 7.368 1.994 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.114 7.146 0.801 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.973 8.614 2.535 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.657 8.257 0.133 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.516 9.706 1.834 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.805 9.513 0.673 1.00 0.00 C ATOM 0 H PHE A 65 -23.214 4.113 3.664 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.890 4.784 2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.012 5.681 1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.157 6.550 3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.973 6.150 0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.483 8.732 3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.176 8.142 -0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.714 10.705 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.356 10.361 0.178 1.00 0.00 H new ATOM 959 N PRO A 66 -20.588 6.117 5.371 1.00 0.00 N ATOM 960 CA PRO A 66 -19.479 6.703 6.066 1.00 0.00 C ATOM 961 C PRO A 66 -18.306 5.852 6.413 1.00 0.00 C ATOM 962 O PRO A 66 -17.280 6.378 6.839 1.00 0.00 O ATOM 963 CB PRO A 66 -20.077 7.186 7.386 1.00 0.00 C ATOM 964 CG PRO A 66 -21.181 6.143 7.625 1.00 0.00 C ATOM 965 CD PRO A 66 -21.773 6.036 6.211 1.00 0.00 C ATOM 0 HA PRO A 66 -19.058 7.442 5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.341 7.195 8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.478 8.197 7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.784 5.193 7.982 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.915 6.477 8.358 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.311 5.099 6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.475 6.843 6.002 1.00 0.00 H new ATOM 973 N GLU A 67 -18.396 4.524 6.216 1.00 0.00 N ATOM 974 CA GLU A 67 -17.433 3.490 6.434 1.00 0.00 C ATOM 975 C GLU A 67 -16.793 3.292 5.103 1.00 0.00 C ATOM 976 O GLU A 67 -15.642 2.860 5.143 1.00 0.00 O ATOM 977 CB GLU A 67 -18.024 2.202 7.030 1.00 0.00 C ATOM 978 CG GLU A 67 -18.935 2.473 8.230 1.00 0.00 C ATOM 979 CD GLU A 67 -19.802 1.263 8.544 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.307 0.627 7.580 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.990 0.918 9.741 1.00 0.00 O ATOM 0 H GLU A 67 -19.264 4.128 5.855 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.707 3.776 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.589 1.676 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.212 1.542 7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.329 2.726 9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.569 3.335 8.022 1.00 0.00 H new ATOM 988 N PHE A 68 -17.439 3.561 3.954 1.00 0.00 N ATOM 989 CA PHE A 68 -16.809 3.547 2.670 1.00 0.00 C ATOM 990 C PHE A 68 -15.791 4.630 2.568 1.00 0.00 C ATOM 991 O PHE A 68 -14.758 4.655 1.902 1.00 0.00 O ATOM 992 CB PHE A 68 -17.849 3.699 1.548 1.00 0.00 C ATOM 993 CG PHE A 68 -17.310 3.417 0.187 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.883 2.137 -0.078 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.085 4.428 -0.716 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.274 1.910 -1.290 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.527 4.206 -1.953 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.130 2.916 -2.216 1.00 0.00 C ATOM 0 H PHE A 68 -18.431 3.796 3.917 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.310 2.585 2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.683 3.026 1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.246 4.714 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.021 1.340 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.357 5.437 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.902 0.922 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.407 4.999 -2.676 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.693 2.687 -3.177 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.178 5.700 3.287 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.407 6.904 3.274 1.00 0.00 C ATOM 1010 C LEU A 69 -14.139 6.713 4.033 1.00 0.00 C ATOM 1011 O LEU A 69 -13.041 7.076 3.612 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.156 8.065 3.949 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.956 8.937 2.967 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.628 8.139 1.837 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.945 9.857 3.702 1.00 0.00 C ATOM 0 H LEU A 69 -17.014 5.732 3.870 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.215 7.139 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.836 7.660 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.437 8.692 4.476 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.225 9.574 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.174 8.821 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -16.867 7.615 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.321 7.415 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -18.492 10.458 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -18.648 9.252 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.397 10.514 4.377 1.00 0.00 H new ATOM 1027 N THR A 70 -14.224 5.931 5.124 1.00 0.00 N ATOM 1028 CA THR A 70 -13.085 5.483 5.864 1.00 0.00 C ATOM 1029 C THR A 70 -12.186 4.584 5.087 1.00 0.00 C ATOM 1030 O THR A 70 -10.973 4.720 5.238 1.00 0.00 O ATOM 1031 CB THR A 70 -13.419 4.922 7.215 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.348 5.839 7.773 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.299 4.841 8.266 1.00 0.00 C ATOM 0 H THR A 70 -15.112 5.600 5.503 1.00 0.00 H new ATOM 0 HA THR A 70 -12.516 6.393 6.054 1.00 0.00 H new ATOM 0 HB THR A 70 -13.734 3.895 7.028 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.615 5.533 8.665 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.695 4.415 9.188 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.493 4.210 7.891 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.914 5.841 8.465 1.00 0.00 H new ATOM 1041 N MET A 71 -12.720 3.741 4.185 1.00 0.00 N ATOM 1042 CA MET A 71 -11.906 2.944 3.321 1.00 0.00 C ATOM 1043 C MET A 71 -11.105 3.741 2.350 1.00 0.00 C ATOM 1044 O MET A 71 -9.944 3.601 1.967 1.00 0.00 O ATOM 1045 CB MET A 71 -12.782 1.925 2.572 1.00 0.00 C ATOM 1046 CG MET A 71 -13.348 0.850 3.502 1.00 0.00 C ATOM 1047 SD MET A 71 -14.451 -0.333 2.671 1.00 0.00 S ATOM 1048 CE MET A 71 -13.393 -1.271 1.531 1.00 0.00 C ATOM 0 H MET A 71 -13.723 3.611 4.054 1.00 0.00 H new ATOM 0 HA MET A 71 -11.188 2.430 3.960 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.604 2.447 2.082 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.193 1.450 1.788 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.521 0.304 3.956 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.894 1.334 4.312 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.996 -2.005 0.996 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.933 -0.588 0.817 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.615 -1.784 2.096 1.00 0.00 H new ATOM 1058 N MET A 72 -11.795 4.754 1.796 1.00 0.00 N ATOM 1059 CA MET A 72 -11.305 5.639 0.785 1.00 0.00 C ATOM 1060 C MET A 72 -10.462 6.708 1.390 1.00 0.00 C ATOM 1061 O MET A 72 -9.688 7.333 0.666 1.00 0.00 O ATOM 1062 CB MET A 72 -12.388 6.215 -0.144 1.00 0.00 C ATOM 1063 CG MET A 72 -13.074 5.180 -1.038 1.00 0.00 C ATOM 1064 SD MET A 72 -12.075 4.264 -2.249 1.00 0.00 S ATOM 1065 CE MET A 72 -11.722 5.775 -3.193 1.00 0.00 C ATOM 0 H MET A 72 -12.754 4.968 2.071 1.00 0.00 H new ATOM 0 HA MET A 72 -10.685 5.029 0.128 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.145 6.709 0.465 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.937 6.980 -0.776 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.554 4.449 -0.387 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.867 5.691 -1.584 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.296 5.509 -4.160 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.646 6.333 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.012 6.391 -2.641 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.498 6.984 2.706 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.521 7.854 3.283 1.00 0.00 C ATOM 1077 C ALA A 73 -8.227 7.131 3.438 1.00 0.00 C ATOM 1078 O ALA A 73 -7.137 7.671 3.252 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.013 8.379 4.642 1.00 0.00 C ATOM 0 H ALA A 73 -11.188 6.614 3.359 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.368 8.706 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.260 9.040 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.943 8.930 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.185 7.540 5.316 1.00 0.00 H new ATOM 1234 N GLU A 83 6.131 6.369 -1.503 1.00 0.00 N ATOM 1235 CA GLU A 83 7.557 6.457 -1.436 1.00 0.00 C ATOM 1236 C GLU A 83 8.045 6.442 -0.028 1.00 0.00 C ATOM 1237 O GLU A 83 9.194 6.120 0.270 1.00 0.00 O ATOM 1238 CB GLU A 83 8.219 7.620 -2.194 1.00 0.00 C ATOM 1239 CG GLU A 83 8.166 8.990 -1.515 1.00 0.00 C ATOM 1240 CD GLU A 83 9.026 10.036 -2.209 1.00 0.00 C ATOM 1241 OE1 GLU A 83 9.368 9.858 -3.408 1.00 0.00 O ATOM 1242 OE2 GLU A 83 9.378 11.077 -1.592 1.00 0.00 O ATOM 0 HA GLU A 83 7.871 5.559 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.264 7.364 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.745 7.704 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.133 9.336 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.493 8.888 -0.480 1.00 0.00 H new ATOM 1249 N GLU A 84 7.159 6.659 0.961 1.00 0.00 N ATOM 1250 CA GLU A 84 7.406 6.325 2.329 1.00 0.00 C ATOM 1251 C GLU A 84 7.441 4.846 2.509 1.00 0.00 C ATOM 1252 O GLU A 84 8.392 4.402 3.149 1.00 0.00 O ATOM 1253 CB GLU A 84 6.323 6.991 3.194 1.00 0.00 C ATOM 1254 CG GLU A 84 6.769 7.014 4.657 1.00 0.00 C ATOM 1255 CD GLU A 84 6.191 8.141 5.502 1.00 0.00 C ATOM 1256 OE1 GLU A 84 6.748 9.271 5.465 1.00 0.00 O ATOM 1257 OE2 GLU A 84 5.174 7.844 6.184 1.00 0.00 O ATOM 0 H GLU A 84 6.243 7.080 0.804 1.00 0.00 H new ATOM 0 HA GLU A 84 8.382 6.697 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.139 8.007 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.383 6.447 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.498 6.063 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.856 7.083 4.686 1.00 0.00 H new ATOM 1264 N ILE A 85 6.541 4.020 1.946 1.00 0.00 N ATOM 1265 CA ILE A 85 6.614 2.615 2.199 1.00 0.00 C ATOM 1266 C ILE A 85 7.675 1.965 1.379 1.00 0.00 C ATOM 1267 O ILE A 85 8.234 0.926 1.728 1.00 0.00 O ATOM 1268 CB ILE A 85 5.281 1.927 2.182 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.510 1.919 0.851 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.443 2.673 3.235 1.00 0.00 C ATOM 1271 CD1 ILE A 85 3.029 1.591 1.033 1.00 0.00 C ATOM 0 H ILE A 85 5.782 4.314 1.332 1.00 0.00 H new ATOM 0 HA ILE A 85 6.933 2.492 3.234 1.00 0.00 H new ATOM 0 HB ILE A 85 5.458 0.869 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.607 2.894 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.960 1.189 0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.448 2.232 3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.927 2.593 4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.360 3.723 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.533 1.599 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.928 0.604 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.568 2.336 1.682 1.00 0.00 H new ATOM 1283 N ARG A 86 7.982 2.443 0.161 1.00 0.00 N ATOM 1284 CA ARG A 86 9.064 2.013 -0.670 1.00 0.00 C ATOM 1285 C ARG A 86 10.437 2.187 -0.118 1.00 0.00 C ATOM 1286 O ARG A 86 11.322 1.367 -0.355 1.00 0.00 O ATOM 1287 CB ARG A 86 8.912 2.640 -2.066 1.00 0.00 C ATOM 1288 CG ARG A 86 9.783 1.906 -3.087 1.00 0.00 C ATOM 1289 CD ARG A 86 9.604 2.596 -4.440 1.00 0.00 C ATOM 1290 NE ARG A 86 10.378 1.709 -5.354 1.00 0.00 N ATOM 1291 CZ ARG A 86 9.890 1.107 -6.477 1.00 0.00 C ATOM 1292 NH1 ARG A 86 8.584 1.158 -6.871 1.00 0.00 N ATOM 1293 NH2 ARG A 86 10.718 0.370 -7.274 1.00 0.00 N ATOM 0 H ARG A 86 7.433 3.184 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 86 8.977 0.928 -0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.868 2.600 -2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.194 3.692 -2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.829 1.929 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.493 0.857 -3.152 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.555 2.660 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.995 3.613 -4.433 1.00 0.00 H new ATOM 0 HE ARG A 86 11.356 1.537 -5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.902 1.671 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.290 0.683 -7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.703 0.269 -7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.351 -0.079 -8.113 1.00 0.00 H new ATOM 1307 N GLU A 87 10.647 3.303 0.602 1.00 0.00 N ATOM 1308 CA GLU A 87 11.865 3.443 1.338 1.00 0.00 C ATOM 1309 C GLU A 87 11.878 2.569 2.544 1.00 0.00 C ATOM 1310 O GLU A 87 12.914 1.943 2.762 1.00 0.00 O ATOM 1311 CB GLU A 87 12.151 4.934 1.585 1.00 0.00 C ATOM 1312 CG GLU A 87 13.346 5.271 2.479 1.00 0.00 C ATOM 1313 CD GLU A 87 13.604 6.770 2.473 1.00 0.00 C ATOM 1314 OE1 GLU A 87 12.761 7.601 2.905 1.00 0.00 O ATOM 1315 OE2 GLU A 87 14.764 7.087 2.097 1.00 0.00 O ATOM 0 H GLU A 87 9.997 4.086 0.675 1.00 0.00 H new ATOM 0 HA GLU A 87 12.709 3.077 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.304 5.415 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.260 5.382 2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.154 4.932 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.232 4.741 2.129 1.00 0.00 H new ATOM 1322 N ALA A 88 10.749 2.443 3.264 1.00 0.00 N ATOM 1323 CA ALA A 88 10.766 1.602 4.421 1.00 0.00 C ATOM 1324 C ALA A 88 10.976 0.154 4.139 1.00 0.00 C ATOM 1325 O ALA A 88 11.716 -0.453 4.912 1.00 0.00 O ATOM 1326 CB ALA A 88 9.441 1.714 5.193 1.00 0.00 C ATOM 0 H ALA A 88 9.861 2.901 3.059 1.00 0.00 H new ATOM 0 HA ALA A 88 11.618 1.963 4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.475 1.067 6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.291 2.746 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.617 1.409 4.548 1.00 0.00 H new ATOM 1332 N PHE A 89 10.510 -0.373 2.992 1.00 0.00 N ATOM 1333 CA PHE A 89 10.781 -1.646 2.400 1.00 0.00 C ATOM 1334 C PHE A 89 12.230 -1.990 2.406 1.00 0.00 C ATOM 1335 O PHE A 89 12.680 -3.018 2.909 1.00 0.00 O ATOM 1336 CB PHE A 89 10.286 -1.572 0.946 1.00 0.00 C ATOM 1337 CG PHE A 89 10.339 -2.931 0.338 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.602 -3.994 0.805 1.00 0.00 C ATOM 1339 CD2 PHE A 89 11.218 -3.138 -0.698 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.731 -5.242 0.242 1.00 0.00 C ATOM 1341 CE2 PHE A 89 11.289 -4.385 -1.273 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.554 -5.462 -0.837 1.00 0.00 C ATOM 0 H PHE A 89 9.864 0.163 2.412 1.00 0.00 H new ATOM 0 HA PHE A 89 10.276 -2.420 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.267 -1.187 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.905 -0.881 0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.913 -3.847 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 89 11.844 -2.333 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.173 -6.068 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.957 -4.526 -2.110 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.620 -6.428 -1.316 1.00 0.00 H new ATOM 1352 N ARG A 90 13.030 -1.045 1.880 1.00 0.00 N ATOM 1353 CA ARG A 90 14.441 -1.154 1.678 1.00 0.00 C ATOM 1354 C ARG A 90 15.107 -0.993 3.001 1.00 0.00 C ATOM 1355 O ARG A 90 16.165 -1.565 3.259 1.00 0.00 O ATOM 1356 CB ARG A 90 14.958 -0.121 0.662 1.00 0.00 C ATOM 1357 CG ARG A 90 16.456 -0.253 0.380 1.00 0.00 C ATOM 1358 CD ARG A 90 17.087 0.426 -0.837 1.00 0.00 C ATOM 1359 NE ARG A 90 16.725 -0.375 -2.040 1.00 0.00 N ATOM 1360 CZ ARG A 90 17.153 0.002 -3.280 1.00 0.00 C ATOM 1361 NH1 ARG A 90 18.102 0.959 -3.499 1.00 0.00 N ATOM 1362 NH2 ARG A 90 16.695 -0.658 -4.384 1.00 0.00 N ATOM 0 H ARG A 90 12.664 -0.143 1.575 1.00 0.00 H new ATOM 0 HA ARG A 90 14.674 -2.132 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.407 -0.232 -0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.752 0.882 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 90 16.981 0.116 1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 90 16.674 -1.318 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.724 1.449 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 90 18.170 0.481 -0.726 1.00 0.00 H new ATOM 0 HE ARG A 90 16.152 -1.213 -1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 90 18.535 1.438 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.378 1.195 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.036 -1.429 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.012 -0.380 -5.313 1.00 0.00 H new ATOM 1376 N VAL A 91 14.598 -0.126 3.895 1.00 0.00 N ATOM 1377 CA VAL A 91 15.144 0.083 5.200 1.00 0.00 C ATOM 1378 C VAL A 91 15.050 -1.180 5.985 1.00 0.00 C ATOM 1379 O VAL A 91 15.991 -1.546 6.687 1.00 0.00 O ATOM 1380 CB VAL A 91 14.575 1.293 5.879 1.00 0.00 C ATOM 1381 CG1 VAL A 91 14.854 1.364 7.390 1.00 0.00 C ATOM 1382 CG2 VAL A 91 14.882 2.598 5.125 1.00 0.00 C ATOM 0 H VAL A 91 13.778 0.449 3.702 1.00 0.00 H new ATOM 0 HA VAL A 91 16.204 0.323 5.114 1.00 0.00 H new ATOM 0 HB VAL A 91 13.494 1.168 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.407 2.270 7.800 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.422 0.492 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.930 1.381 7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.446 3.440 5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.961 2.732 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.457 2.548 4.123 1.00 0.00 H new ATOM 1392 N PHE A 92 13.961 -1.956 5.835 1.00 0.00 N ATOM 1393 CA PHE A 92 13.830 -3.189 6.547 1.00 0.00 C ATOM 1394 C PHE A 92 14.631 -4.319 5.998 1.00 0.00 C ATOM 1395 O PHE A 92 14.972 -5.206 6.778 1.00 0.00 O ATOM 1396 CB PHE A 92 12.378 -3.680 6.678 1.00 0.00 C ATOM 1397 CG PHE A 92 11.547 -2.615 7.307 1.00 0.00 C ATOM 1398 CD1 PHE A 92 12.021 -1.800 8.308 1.00 0.00 C ATOM 1399 CD2 PHE A 92 10.222 -2.507 6.955 1.00 0.00 C ATOM 1400 CE1 PHE A 92 11.189 -0.929 8.972 1.00 0.00 C ATOM 1401 CE2 PHE A 92 9.394 -1.552 7.496 1.00 0.00 C ATOM 1402 CZ PHE A 92 9.893 -0.797 8.531 1.00 0.00 C ATOM 0 H PHE A 92 13.176 -1.731 5.224 1.00 0.00 H new ATOM 0 HA PHE A 92 14.225 -2.919 7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 92 11.979 -3.935 5.696 1.00 0.00 H new ATOM 0 HB3 PHE A 92 12.343 -4.587 7.281 1.00 0.00 H new ATOM 0 HD1 PHE A 92 13.066 -1.845 8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.818 -3.196 6.228 1.00 0.00 H new ATOM 0 HE1 PHE A 92 11.545 -0.362 9.820 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.392 -1.401 7.123 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.247 -0.078 9.013 1.00 0.00 H new ATOM 1412 N ASP A 93 14.712 -4.382 4.657 1.00 0.00 N ATOM 1413 CA ASP A 93 15.529 -5.372 4.026 1.00 0.00 C ATOM 1414 C ASP A 93 16.988 -5.309 4.322 1.00 0.00 C ATOM 1415 O ASP A 93 17.547 -4.247 4.050 1.00 0.00 O ATOM 1416 CB ASP A 93 15.192 -5.390 2.526 1.00 0.00 C ATOM 1417 CG ASP A 93 15.679 -6.663 1.849 1.00 0.00 C ATOM 1418 OD1 ASP A 93 15.375 -7.797 2.307 1.00 0.00 O ATOM 1419 OD2 ASP A 93 16.359 -6.675 0.788 1.00 0.00 O ATOM 0 H ASP A 93 14.220 -3.758 4.018 1.00 0.00 H new ATOM 0 HA ASP A 93 15.278 -6.334 4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 93 14.114 -5.299 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.646 -4.525 2.042 1.00 0.00 H new ATOM 1424 N LYS A 94 17.638 -6.330 4.907 1.00 0.00 N ATOM 1425 CA LYS A 94 18.917 -6.263 5.545 1.00 0.00 C ATOM 1426 C LYS A 94 19.952 -5.938 4.524 1.00 0.00 C ATOM 1427 O LYS A 94 20.660 -4.951 4.718 1.00 0.00 O ATOM 1428 CB LYS A 94 19.142 -7.552 6.353 1.00 0.00 C ATOM 1429 CG LYS A 94 18.029 -7.735 7.387 1.00 0.00 C ATOM 1430 CD LYS A 94 18.575 -8.478 8.608 1.00 0.00 C ATOM 1431 CE LYS A 94 19.157 -7.545 9.672 1.00 0.00 C ATOM 1432 NZ LYS A 94 19.615 -8.297 10.862 1.00 0.00 N ATOM 0 H LYS A 94 17.241 -7.269 4.936 1.00 0.00 H new ATOM 0 HA LYS A 94 18.981 -5.458 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.168 -8.410 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.109 -7.511 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.635 -6.764 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.202 -8.294 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.775 -9.071 9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 94 19.347 -9.176 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.992 -6.986 9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 94 18.403 -6.816 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.004 -7.634 11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.812 -8.810 11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.352 -8.976 10.582 1.00 0.00 H new ATOM 1446 N ASP A 95 19.955 -6.634 3.373 1.00 0.00 N ATOM 1447 CA ASP A 95 20.908 -6.436 2.325 1.00 0.00 C ATOM 1448 C ASP A 95 20.561 -5.337 1.381 1.00 0.00 C ATOM 1449 O ASP A 95 21.409 -4.478 1.144 1.00 0.00 O ATOM 1450 CB ASP A 95 21.213 -7.816 1.718 1.00 0.00 C ATOM 1451 CG ASP A 95 20.107 -8.674 1.121 1.00 0.00 C ATOM 1452 OD1 ASP A 95 18.976 -8.194 0.838 1.00 0.00 O ATOM 1453 OD2 ASP A 95 20.426 -9.877 0.927 1.00 0.00 O ATOM 0 H ASP A 95 19.270 -7.360 3.165 1.00 0.00 H new ATOM 0 HA ASP A 95 21.843 -6.039 2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 95 21.955 -7.663 0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 95 21.690 -8.409 2.498 1.00 0.00 H new ATOM 1458 N GLY A 96 19.266 -5.335 1.018 1.00 0.00 N ATOM 1459 CA GLY A 96 18.574 -4.347 0.249 1.00 0.00 C ATOM 1460 C GLY A 96 18.684 -4.685 -1.198 1.00 0.00 C ATOM 1461 O GLY A 96 19.271 -3.960 -2.000 1.00 0.00 O ATOM 0 H GLY A 96 18.647 -6.098 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.526 -4.306 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.997 -3.360 0.437 1.00 0.00 H new ATOM 1465 N ASN A 97 18.203 -5.889 -1.553 1.00 0.00 N ATOM 1466 CA ASN A 97 18.467 -6.356 -2.879 1.00 0.00 C ATOM 1467 C ASN A 97 17.296 -6.159 -3.780 1.00 0.00 C ATOM 1468 O ASN A 97 17.293 -5.287 -4.648 1.00 0.00 O ATOM 1469 CB ASN A 97 19.008 -7.795 -2.888 1.00 0.00 C ATOM 1470 CG ASN A 97 18.204 -8.794 -2.067 1.00 0.00 C ATOM 1471 OD1 ASN A 97 17.157 -8.618 -1.447 1.00 0.00 O ATOM 1472 ND2 ASN A 97 18.738 -10.045 -2.065 1.00 0.00 N ATOM 0 H ASN A 97 17.658 -6.513 -0.958 1.00 0.00 H new ATOM 0 HA ASN A 97 19.267 -5.739 -3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.048 -8.145 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.032 -7.784 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.271 -10.798 -1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 97 19.606 -10.230 -2.568 1.00 0.00 H new ATOM 1479 N GLY A 98 16.294 -7.043 -3.631 1.00 0.00 N ATOM 1480 CA GLY A 98 15.085 -7.093 -4.393 1.00 0.00 C ATOM 1481 C GLY A 98 13.840 -7.287 -3.597 1.00 0.00 C ATOM 1482 O GLY A 98 12.909 -6.485 -3.656 1.00 0.00 O ATOM 0 H GLY A 98 16.333 -7.778 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.994 -6.167 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.164 -7.904 -5.117 1.00 0.00 H new ATOM 1486 N TYR A 99 13.849 -8.456 -2.931 1.00 0.00 N ATOM 1487 CA TYR A 99 12.825 -8.917 -2.047 1.00 0.00 C ATOM 1488 C TYR A 99 13.173 -8.745 -0.608 1.00 0.00 C ATOM 1489 O TYR A 99 14.359 -8.671 -0.290 1.00 0.00 O ATOM 1490 CB TYR A 99 12.590 -10.417 -2.291 1.00 0.00 C ATOM 1491 CG TYR A 99 12.308 -10.607 -3.742 1.00 0.00 C ATOM 1492 CD1 TYR A 99 13.208 -10.759 -4.770 1.00 0.00 C ATOM 1493 CD2 TYR A 99 11.004 -10.832 -4.116 1.00 0.00 C ATOM 1494 CE1 TYR A 99 12.883 -10.968 -6.090 1.00 0.00 C ATOM 1495 CE2 TYR A 99 10.625 -11.027 -5.423 1.00 0.00 C ATOM 1496 CZ TYR A 99 11.556 -11.085 -6.433 1.00 0.00 C ATOM 1497 OH TYR A 99 11.288 -11.237 -7.810 1.00 0.00 O ATOM 0 H TYR A 99 14.619 -9.119 -3.016 1.00 0.00 H new ATOM 0 HA TYR A 99 11.938 -8.319 -2.256 1.00 0.00 H new ATOM 0 HB2 TYR A 99 13.466 -10.994 -1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 99 11.754 -10.775 -1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 99 14.258 -10.710 -4.520 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.244 -10.857 -3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.655 -11.039 -6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.577 -11.137 -5.661 1.00 0.00 H new ATOM 0 HH TYR A 99 10.321 -11.312 -7.949 1.00 0.00 H new ATOM 1507 N ILE A 100 12.140 -8.902 0.239 1.00 0.00 N ATOM 1508 CA ILE A 100 12.363 -9.344 1.581 1.00 0.00 C ATOM 1509 C ILE A 100 12.191 -10.817 1.720 1.00 0.00 C ATOM 1510 O ILE A 100 11.092 -11.303 1.457 1.00 0.00 O ATOM 1511 CB ILE A 100 11.590 -8.677 2.680 1.00 0.00 C ATOM 1512 CG1 ILE A 100 11.370 -7.186 2.376 1.00 0.00 C ATOM 1513 CG2 ILE A 100 12.515 -8.837 3.898 1.00 0.00 C ATOM 1514 CD1 ILE A 100 10.276 -6.576 3.251 1.00 0.00 C ATOM 0 H ILE A 100 11.164 -8.726 0.000 1.00 0.00 H new ATOM 0 HA ILE A 100 13.398 -9.035 1.729 1.00 0.00 H new ATOM 0 HB ILE A 100 10.598 -9.106 2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.302 -6.643 2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.103 -7.066 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 100 12.049 -8.381 4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.685 -9.897 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 100 13.468 -8.347 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 100 10.156 -5.522 3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.336 -7.100 3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.555 -6.670 4.301 1.00 0.00 H new ATOM 1526 N SER A 101 13.234 -11.606 2.036 1.00 0.00 N ATOM 1527 CA SER A 101 13.060 -13.022 2.127 1.00 0.00 C ATOM 1528 C SER A 101 12.356 -13.277 3.415 1.00 0.00 C ATOM 1529 O SER A 101 12.602 -12.552 4.377 1.00 0.00 O ATOM 1530 CB SER A 101 14.407 -13.766 2.094 1.00 0.00 C ATOM 1531 OG SER A 101 15.219 -13.432 3.210 1.00 0.00 O ATOM 0 H SER A 101 14.179 -11.272 2.225 1.00 0.00 H new ATOM 0 HA SER A 101 12.487 -13.389 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.229 -14.841 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.936 -13.521 1.173 1.00 0.00 H new ATOM 0 HG SER A 101 15.544 -12.512 3.115 1.00 0.00 H new ATOM 1537 N ALA A 102 11.520 -14.323 3.544 1.00 0.00 N ATOM 1538 CA ALA A 102 10.811 -14.482 4.776 1.00 0.00 C ATOM 1539 C ALA A 102 11.676 -14.673 5.974 1.00 0.00 C ATOM 1540 O ALA A 102 11.232 -14.289 7.055 1.00 0.00 O ATOM 1541 CB ALA A 102 9.821 -15.654 4.665 1.00 0.00 C ATOM 0 H ALA A 102 11.339 -15.030 2.831 1.00 0.00 H new ATOM 0 HA ALA A 102 10.287 -13.539 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.285 -15.768 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.109 -15.454 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.367 -16.571 4.444 1.00 0.00 H new ATOM 1547 N ALA A 103 12.972 -14.944 5.738 1.00 0.00 N ATOM 1548 CA ALA A 103 13.984 -15.054 6.743 1.00 0.00 C ATOM 1549 C ALA A 103 14.306 -13.733 7.351 1.00 0.00 C ATOM 1550 O ALA A 103 14.282 -13.466 8.551 1.00 0.00 O ATOM 1551 CB ALA A 103 15.238 -15.796 6.251 1.00 0.00 C ATOM 0 H ALA A 103 13.333 -15.094 4.796 1.00 0.00 H new ATOM 0 HA ALA A 103 13.566 -15.675 7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 103 15.970 -15.848 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.966 -16.805 5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 103 15.668 -15.261 5.404 1.00 0.00 H new ATOM 1557 N GLU A 104 14.616 -12.775 6.459 1.00 0.00 N ATOM 1558 CA GLU A 104 14.925 -11.424 6.814 1.00 0.00 C ATOM 1559 C GLU A 104 13.667 -10.844 7.364 1.00 0.00 C ATOM 1560 O GLU A 104 13.609 -10.261 8.445 1.00 0.00 O ATOM 1561 CB GLU A 104 15.460 -10.609 5.624 1.00 0.00 C ATOM 1562 CG GLU A 104 16.865 -10.823 5.059 1.00 0.00 C ATOM 1563 CD GLU A 104 16.882 -10.346 3.614 1.00 0.00 C ATOM 1564 OE1 GLU A 104 16.052 -10.780 2.771 1.00 0.00 O ATOM 1565 OE2 GLU A 104 17.750 -9.494 3.283 1.00 0.00 O ATOM 0 H GLU A 104 14.653 -12.947 5.454 1.00 0.00 H new ATOM 0 HA GLU A 104 15.728 -11.395 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.763 -10.763 4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.392 -9.559 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.598 -10.272 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.139 -11.877 5.113 1.00 0.00 H new ATOM 1572 N LEU A 105 12.513 -11.005 6.692 1.00 0.00 N ATOM 1573 CA LEU A 105 11.262 -10.465 7.127 1.00 0.00 C ATOM 1574 C LEU A 105 10.739 -10.774 8.487 1.00 0.00 C ATOM 1575 O LEU A 105 10.116 -9.927 9.125 1.00 0.00 O ATOM 1576 CB LEU A 105 10.206 -10.724 6.039 1.00 0.00 C ATOM 1577 CG LEU A 105 8.843 -10.057 6.289 1.00 0.00 C ATOM 1578 CD1 LEU A 105 8.911 -8.713 5.546 1.00 0.00 C ATOM 1579 CD2 LEU A 105 7.677 -10.841 5.664 1.00 0.00 C ATOM 0 H LEU A 105 12.448 -11.527 5.818 1.00 0.00 H new ATOM 0 HA LEU A 105 11.491 -9.408 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.596 -10.373 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.056 -11.800 5.947 1.00 0.00 H new ATOM 0 HG LEU A 105 8.667 -9.986 7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.971 -8.177 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.729 -8.116 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.081 -8.892 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.739 -10.325 5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.822 -10.911 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.642 -11.843 6.091 1.00 0.00 H new ATOM 1591 N ARG A 106 11.007 -11.996 8.980 1.00 0.00 N ATOM 1592 CA ARG A 106 10.537 -12.331 10.288 1.00 0.00 C ATOM 1593 C ARG A 106 11.103 -11.605 11.459 1.00 0.00 C ATOM 1594 O ARG A 106 10.522 -11.105 12.420 1.00 0.00 O ATOM 1595 CB ARG A 106 10.378 -13.834 10.575 1.00 0.00 C ATOM 1596 CG ARG A 106 11.692 -14.602 10.419 1.00 0.00 C ATOM 1597 CD ARG A 106 11.616 -16.122 10.576 1.00 0.00 C ATOM 1598 NE ARG A 106 10.675 -16.665 9.556 1.00 0.00 N ATOM 1599 CZ ARG A 106 10.981 -17.486 8.510 1.00 0.00 C ATOM 1600 NH1 ARG A 106 12.242 -17.918 8.218 1.00 0.00 N ATOM 1601 NH2 ARG A 106 9.894 -17.902 7.796 1.00 0.00 N ATOM 0 H ARG A 106 11.528 -12.727 8.496 1.00 0.00 H new ATOM 0 HA ARG A 106 9.537 -11.909 10.192 1.00 0.00 H new ATOM 0 HB2 ARG A 106 10.000 -13.969 11.588 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.633 -14.253 9.898 1.00 0.00 H new ATOM 0 HG2 ARG A 106 12.102 -14.381 9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.401 -14.218 11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.604 -16.564 10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.276 -16.381 11.579 1.00 0.00 H new ATOM 0 HE ARG A 106 9.696 -16.394 9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.028 -17.627 8.799 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.398 -18.532 7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.959 -17.595 8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.017 -18.519 6.993 1.00 0.00 H new ATOM 1615 N HIS A 107 12.408 -11.297 11.348 1.00 0.00 N ATOM 1616 CA HIS A 107 13.199 -10.377 12.104 1.00 0.00 C ATOM 1617 C HIS A 107 12.737 -8.977 12.320 1.00 0.00 C ATOM 1618 O HIS A 107 12.764 -8.483 13.446 1.00 0.00 O ATOM 1619 CB HIS A 107 14.667 -10.363 11.644 1.00 0.00 C ATOM 1620 CG HIS A 107 15.604 -9.456 12.384 1.00 0.00 C ATOM 1621 ND1 HIS A 107 16.041 -9.579 13.688 1.00 0.00 N ATOM 1622 CD2 HIS A 107 15.964 -8.220 11.944 1.00 0.00 C ATOM 1623 CE1 HIS A 107 16.627 -8.385 13.970 1.00 0.00 C ATOM 1624 NE2 HIS A 107 16.649 -7.558 12.942 1.00 0.00 N ATOM 0 H HIS A 107 12.976 -11.755 10.635 1.00 0.00 H new ATOM 0 HA HIS A 107 13.068 -10.818 13.092 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.054 -11.380 11.714 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.689 -10.086 10.590 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.747 -7.819 10.965 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.034 -8.138 14.939 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.078 -6.634 12.895 1.00 0.00 H new ATOM 1632 N VAL A 108 12.148 -8.491 11.213 1.00 0.00 N ATOM 1633 CA VAL A 108 11.577 -7.187 11.073 1.00 0.00 C ATOM 1634 C VAL A 108 10.272 -7.182 11.791 1.00 0.00 C ATOM 1635 O VAL A 108 10.039 -6.202 12.497 1.00 0.00 O ATOM 1636 CB VAL A 108 11.310 -6.841 9.638 1.00 0.00 C ATOM 1637 CG1 VAL A 108 10.790 -5.394 9.664 1.00 0.00 C ATOM 1638 CG2 VAL A 108 12.641 -6.943 8.874 1.00 0.00 C ATOM 0 H VAL A 108 12.066 -9.045 10.361 1.00 0.00 H new ATOM 0 HA VAL A 108 12.280 -6.459 11.478 1.00 0.00 H new ATOM 0 HB VAL A 108 10.590 -7.499 9.151 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.571 -5.068 8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.881 -5.345 10.264 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.548 -4.743 10.099 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.478 -6.696 7.825 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.361 -6.246 9.303 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.028 -7.959 8.952 1.00 0.00 H new ATOM 1648 N MET A 109 9.345 -8.140 11.612 1.00 0.00 N ATOM 1649 CA MET A 109 8.104 -8.339 12.295 1.00 0.00 C ATOM 1650 C MET A 109 8.308 -8.428 13.768 1.00 0.00 C ATOM 1651 O MET A 109 7.528 -7.888 14.551 1.00 0.00 O ATOM 1652 CB MET A 109 7.374 -9.523 11.639 1.00 0.00 C ATOM 1653 CG MET A 109 7.019 -9.244 10.177 1.00 0.00 C ATOM 1654 SD MET A 109 5.970 -7.788 9.890 1.00 0.00 S ATOM 1655 CE MET A 109 7.215 -6.862 8.946 1.00 0.00 C ATOM 0 H MET A 109 9.486 -8.859 10.903 1.00 0.00 H new ATOM 0 HA MET A 109 7.444 -7.478 12.189 1.00 0.00 H new ATOM 0 HB2 MET A 109 8.003 -10.412 11.695 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.463 -9.741 12.197 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.944 -9.120 9.614 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.513 -10.120 9.771 1.00 0.00 H new ATOM 0 HE1 MET A 109 6.856 -5.848 8.767 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.146 -6.823 9.512 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.391 -7.358 7.992 1.00 0.00 H new ATOM 1665 N THR A 110 9.374 -9.110 14.224 1.00 0.00 N ATOM 1666 CA THR A 110 9.721 -9.119 15.611 1.00 0.00 C ATOM 1667 C THR A 110 9.873 -7.780 16.247 1.00 0.00 C ATOM 1668 O THR A 110 9.236 -7.469 17.252 1.00 0.00 O ATOM 1669 CB THR A 110 10.919 -9.983 15.874 1.00 0.00 C ATOM 1670 OG1 THR A 110 10.856 -11.299 15.345 1.00 0.00 O ATOM 1671 CG2 THR A 110 11.214 -10.269 17.356 1.00 0.00 C ATOM 0 H THR A 110 9.997 -9.657 13.630 1.00 0.00 H new ATOM 0 HA THR A 110 8.849 -9.555 16.099 1.00 0.00 H new ATOM 0 HB THR A 110 11.673 -9.361 15.392 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.824 -11.257 14.366 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.098 -10.901 17.436 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.391 -9.330 17.880 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.362 -10.779 17.805 1.00 0.00 H new ATOM 1679 N ASN A 111 10.740 -6.923 15.678 1.00 0.00 N ATOM 1680 CA ASN A 111 11.097 -5.650 16.222 1.00 0.00 C ATOM 1681 C ASN A 111 10.202 -4.552 15.759 1.00 0.00 C ATOM 1682 O ASN A 111 10.461 -3.386 16.052 1.00 0.00 O ATOM 1683 CB ASN A 111 12.540 -5.249 15.868 1.00 0.00 C ATOM 1684 CG ASN A 111 13.368 -6.177 16.745 1.00 0.00 C ATOM 1685 OD1 ASN A 111 13.340 -6.046 17.968 1.00 0.00 O ATOM 1686 ND2 ASN A 111 14.000 -7.235 16.170 1.00 0.00 N ATOM 0 H ASN A 111 11.214 -7.128 14.798 1.00 0.00 H new ATOM 0 HA ASN A 111 10.995 -5.775 17.300 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.753 -5.395 14.809 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.735 -4.200 16.091 1.00 0.00 H new ATOM 0 HD21 ASN A 111 14.459 -7.934 16.754 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.015 -7.330 15.155 1.00 0.00 H new ATOM 1693 N LEU A 112 9.095 -4.857 15.059 1.00 0.00 N ATOM 1694 CA LEU A 112 8.116 -4.051 14.398 1.00 0.00 C ATOM 1695 C LEU A 112 7.407 -3.111 15.312 1.00 0.00 C ATOM 1696 O LEU A 112 7.519 -1.911 15.065 1.00 0.00 O ATOM 1697 CB LEU A 112 7.042 -4.740 13.539 1.00 0.00 C ATOM 1698 CG LEU A 112 6.379 -3.789 12.529 1.00 0.00 C ATOM 1699 CD1 LEU A 112 7.155 -3.780 11.201 1.00 0.00 C ATOM 1700 CD2 LEU A 112 5.014 -4.408 12.186 1.00 0.00 C ATOM 0 H LEU A 112 8.853 -5.841 14.942 1.00 0.00 H new ATOM 0 HA LEU A 112 8.777 -3.537 13.700 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.494 -5.574 13.002 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.276 -5.159 14.192 1.00 0.00 H new ATOM 0 HG LEU A 112 6.332 -2.786 12.953 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.669 -3.101 10.500 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.177 -3.447 11.379 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.169 -4.786 10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.496 -3.772 11.469 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.162 -5.397 11.753 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.416 -4.494 13.093 1.00 0.00 H new ATOM 1712 N GLY A 113 6.872 -3.567 16.459 1.00 0.00 N ATOM 1713 CA GLY A 113 6.277 -2.662 17.392 1.00 0.00 C ATOM 1714 C GLY A 113 5.015 -3.229 17.946 1.00 0.00 C ATOM 1715 O GLY A 113 4.900 -3.633 19.102 1.00 0.00 O ATOM 0 H GLY A 113 6.851 -4.548 16.738 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.976 -2.457 18.203 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.069 -1.711 16.902 1.00 0.00 H new ATOM 1719 N GLU A 114 3.994 -3.255 17.071 1.00 0.00 N ATOM 1720 CA GLU A 114 2.877 -4.097 17.368 1.00 0.00 C ATOM 1721 C GLU A 114 3.074 -5.574 17.326 1.00 0.00 C ATOM 1722 O GLU A 114 3.729 -6.050 16.400 1.00 0.00 O ATOM 1723 CB GLU A 114 1.683 -3.688 16.489 1.00 0.00 C ATOM 1724 CG GLU A 114 1.324 -2.205 16.601 1.00 0.00 C ATOM 1725 CD GLU A 114 0.004 -1.814 15.953 1.00 0.00 C ATOM 1726 OE1 GLU A 114 0.032 -1.828 14.693 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -0.865 -1.188 16.618 1.00 0.00 O ATOM 0 H GLU A 114 3.938 -2.724 16.202 1.00 0.00 H new ATOM 0 HA GLU A 114 2.697 -3.918 18.428 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.911 -3.921 15.449 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.815 -4.286 16.767 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.288 -1.934 17.656 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.123 -1.618 16.148 1.00 0.00 H new ATOM 1734 N LYS A 115 2.649 -6.343 18.344 1.00 0.00 N ATOM 1735 CA LYS A 115 3.170 -7.670 18.456 1.00 0.00 C ATOM 1736 C LYS A 115 2.318 -8.670 17.753 1.00 0.00 C ATOM 1737 O LYS A 115 1.214 -9.062 18.129 1.00 0.00 O ATOM 1738 CB LYS A 115 3.224 -8.163 19.912 1.00 0.00 C ATOM 1739 CG LYS A 115 4.118 -7.249 20.753 1.00 0.00 C ATOM 1740 CD LYS A 115 5.590 -7.192 20.341 1.00 0.00 C ATOM 1741 CE LYS A 115 6.427 -6.793 21.558 1.00 0.00 C ATOM 1742 NZ LYS A 115 7.865 -6.876 21.220 1.00 0.00 N ATOM 0 H LYS A 115 1.977 -6.065 19.059 1.00 0.00 H new ATOM 0 HA LYS A 115 4.166 -7.600 18.018 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.219 -8.185 20.332 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.605 -9.184 19.943 1.00 0.00 H new ATOM 0 HG2 LYS A 115 3.710 -6.239 20.715 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.064 -7.575 21.792 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.914 -8.161 19.962 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.729 -6.472 19.535 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.174 -5.779 21.869 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.202 -7.450 22.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.433 -6.605 22.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.101 -7.850 20.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.074 -6.232 20.431 1.00 0.00 H new ATOM 1756 N LEU A 116 3.015 -9.319 16.804 1.00 0.00 N ATOM 1757 CA LEU A 116 2.582 -10.505 16.132 1.00 0.00 C ATOM 1758 C LEU A 116 3.077 -11.703 16.867 1.00 0.00 C ATOM 1759 O LEU A 116 4.219 -11.812 17.311 1.00 0.00 O ATOM 1760 CB LEU A 116 2.974 -10.506 14.645 1.00 0.00 C ATOM 1761 CG LEU A 116 2.711 -9.199 13.879 1.00 0.00 C ATOM 1762 CD1 LEU A 116 3.215 -9.270 12.427 1.00 0.00 C ATOM 1763 CD2 LEU A 116 1.308 -8.581 14.000 1.00 0.00 C ATOM 0 H LEU A 116 3.931 -8.999 16.488 1.00 0.00 H new ATOM 0 HA LEU A 116 1.492 -10.535 16.137 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.036 -10.741 14.569 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.433 -11.311 14.147 1.00 0.00 H new ATOM 0 HG LEU A 116 3.319 -8.473 14.418 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.008 -8.326 11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.289 -9.456 12.423 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.705 -10.079 11.904 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.262 -7.665 13.411 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.566 -9.288 13.630 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.101 -8.351 15.045 1.00 0.00 H new ATOM 1775 N THR A 117 2.173 -12.657 17.153 1.00 0.00 N ATOM 1776 CA THR A 117 2.631 -13.997 17.352 1.00 0.00 C ATOM 1777 C THR A 117 3.174 -14.635 16.120 1.00 0.00 C ATOM 1778 O THR A 117 2.821 -14.224 15.016 1.00 0.00 O ATOM 1779 CB THR A 117 1.650 -15.025 17.835 1.00 0.00 C ATOM 1780 OG1 THR A 117 0.485 -15.097 17.026 1.00 0.00 O ATOM 1781 CG2 THR A 117 1.153 -14.467 19.179 1.00 0.00 C ATOM 0 H THR A 117 1.167 -12.512 17.244 1.00 0.00 H new ATOM 0 HA THR A 117 3.366 -13.785 18.129 1.00 0.00 H new ATOM 0 HB THR A 117 2.131 -16.003 17.852 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.119 -15.782 17.382 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.426 -15.154 19.612 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.996 -14.354 19.860 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.683 -13.496 19.019 1.00 0.00 H new ATOM 1789 N ASP A 118 4.131 -15.580 16.148 1.00 0.00 N ATOM 1790 CA ASP A 118 4.836 -16.222 15.083 1.00 0.00 C ATOM 1791 C ASP A 118 3.964 -16.949 14.117 1.00 0.00 C ATOM 1792 O ASP A 118 4.279 -16.996 12.929 1.00 0.00 O ATOM 1793 CB ASP A 118 5.938 -17.082 15.725 1.00 0.00 C ATOM 1794 CG ASP A 118 6.976 -16.178 16.374 1.00 0.00 C ATOM 1795 OD1 ASP A 118 6.873 -15.753 17.556 1.00 0.00 O ATOM 1796 OD2 ASP A 118 8.051 -16.092 15.722 1.00 0.00 O ATOM 0 H ASP A 118 4.451 -15.940 17.047 1.00 0.00 H new ATOM 0 HA ASP A 118 5.291 -15.471 14.437 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.505 -17.749 16.470 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.409 -17.711 14.970 1.00 0.00 H new ATOM 1801 N GLU A 119 2.846 -17.503 14.619 1.00 0.00 N ATOM 1802 CA GLU A 119 1.681 -17.858 13.870 1.00 0.00 C ATOM 1803 C GLU A 119 1.120 -16.721 13.088 1.00 0.00 C ATOM 1804 O GLU A 119 0.967 -16.846 11.874 1.00 0.00 O ATOM 1805 CB GLU A 119 0.578 -18.346 14.824 1.00 0.00 C ATOM 1806 CG GLU A 119 -0.782 -18.735 14.241 1.00 0.00 C ATOM 1807 CD GLU A 119 -1.786 -19.011 15.351 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -2.237 -18.049 16.028 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -2.123 -20.193 15.631 1.00 0.00 O ATOM 0 H GLU A 119 2.751 -17.716 15.612 1.00 0.00 H new ATOM 0 HA GLU A 119 1.994 -18.637 13.175 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.966 -19.211 15.362 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.409 -17.561 15.562 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.151 -17.933 13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.674 -19.620 13.613 1.00 0.00 H new ATOM 1816 N GLU A 120 0.836 -15.557 13.700 1.00 0.00 N ATOM 1817 CA GLU A 120 0.288 -14.374 13.112 1.00 0.00 C ATOM 1818 C GLU A 120 1.102 -13.797 12.005 1.00 0.00 C ATOM 1819 O GLU A 120 0.529 -13.463 10.969 1.00 0.00 O ATOM 1820 CB GLU A 120 0.050 -13.292 14.178 1.00 0.00 C ATOM 1821 CG GLU A 120 -0.977 -12.201 13.866 1.00 0.00 C ATOM 1822 CD GLU A 120 -1.437 -11.365 15.052 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -0.988 -11.589 16.207 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -2.244 -10.424 14.828 1.00 0.00 O ATOM 0 H GLU A 120 1.007 -15.435 14.698 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.656 -14.695 12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.258 -13.789 15.098 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.004 -12.806 14.382 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.552 -11.532 13.117 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.852 -12.670 13.415 1.00 0.00 H new ATOM 1831 N VAL A 121 2.433 -13.805 12.195 1.00 0.00 N ATOM 1832 CA VAL A 121 3.497 -13.477 11.297 1.00 0.00 C ATOM 1833 C VAL A 121 3.391 -14.319 10.072 1.00 0.00 C ATOM 1834 O VAL A 121 3.262 -13.794 8.967 1.00 0.00 O ATOM 1835 CB VAL A 121 4.884 -13.608 11.854 1.00 0.00 C ATOM 1836 CG1 VAL A 121 5.946 -13.077 10.876 1.00 0.00 C ATOM 1837 CG2 VAL A 121 4.939 -12.843 13.187 1.00 0.00 C ATOM 0 H VAL A 121 2.809 -14.079 13.103 1.00 0.00 H new ATOM 0 HA VAL A 121 3.365 -12.416 11.084 1.00 0.00 H new ATOM 0 HB VAL A 121 5.109 -14.663 12.013 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.936 -13.190 11.317 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.897 -13.641 9.945 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.758 -12.023 10.672 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.939 -12.924 13.612 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.702 -11.793 13.014 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.214 -13.269 13.881 1.00 0.00 H new ATOM 1847 N ASP A 122 3.457 -15.662 10.093 1.00 0.00 N ATOM 1848 CA ASP A 122 3.292 -16.624 9.048 1.00 0.00 C ATOM 1849 C ASP A 122 2.014 -16.416 8.311 1.00 0.00 C ATOM 1850 O ASP A 122 1.934 -16.575 7.094 1.00 0.00 O ATOM 1851 CB ASP A 122 3.304 -18.071 9.569 1.00 0.00 C ATOM 1852 CG ASP A 122 4.685 -18.601 9.926 1.00 0.00 C ATOM 1853 OD1 ASP A 122 5.713 -17.958 9.583 1.00 0.00 O ATOM 1854 OD2 ASP A 122 4.703 -19.672 10.589 1.00 0.00 O ATOM 0 H ASP A 122 3.655 -16.136 10.974 1.00 0.00 H new ATOM 0 HA ASP A 122 4.142 -16.475 8.383 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.666 -18.132 10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 122 2.864 -18.720 8.812 1.00 0.00 H new ATOM 1859 N GLU A 123 0.878 -16.220 9.004 1.00 0.00 N ATOM 1860 CA GLU A 123 -0.430 -16.124 8.434 1.00 0.00 C ATOM 1861 C GLU A 123 -0.585 -14.898 7.602 1.00 0.00 C ATOM 1862 O GLU A 123 -1.281 -14.964 6.590 1.00 0.00 O ATOM 1863 CB GLU A 123 -1.639 -16.222 9.380 1.00 0.00 C ATOM 1864 CG GLU A 123 -1.718 -17.544 10.146 1.00 0.00 C ATOM 1865 CD GLU A 123 -1.999 -18.654 9.143 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -3.081 -18.613 8.498 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -1.270 -19.682 9.107 1.00 0.00 O ATOM 0 H GLU A 123 0.873 -16.123 10.019 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.462 -17.034 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -1.597 -15.400 10.095 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.553 -16.093 8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.783 -17.735 10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.506 -17.502 10.898 1.00 0.00 H new ATOM 1874 N MET A 124 -0.016 -13.763 8.046 1.00 0.00 N ATOM 1875 CA MET A 124 0.155 -12.531 7.340 1.00 0.00 C ATOM 1876 C MET A 124 0.981 -12.639 6.105 1.00 0.00 C ATOM 1877 O MET A 124 0.601 -12.209 5.016 1.00 0.00 O ATOM 1878 CB MET A 124 0.815 -11.488 8.258 1.00 0.00 C ATOM 1879 CG MET A 124 0.783 -10.040 7.766 1.00 0.00 C ATOM 1880 SD MET A 124 1.557 -8.772 8.814 1.00 0.00 S ATOM 1881 CE MET A 124 0.474 -8.780 10.271 1.00 0.00 C ATOM 0 H MET A 124 0.360 -13.705 8.992 1.00 0.00 H new ATOM 0 HA MET A 124 -0.849 -12.234 7.036 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.326 -11.530 9.231 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.855 -11.775 8.411 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.265 -10.007 6.789 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.260 -9.760 7.616 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.801 -8.012 10.972 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.552 -8.577 9.963 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.522 -9.756 10.754 1.00 0.00 H new ATOM 1891 N ILE A 125 2.183 -13.234 6.202 1.00 0.00 N ATOM 1892 CA ILE A 125 3.149 -13.566 5.201 1.00 0.00 C ATOM 1893 C ILE A 125 2.527 -14.353 4.099 1.00 0.00 C ATOM 1894 O ILE A 125 2.589 -13.977 2.929 1.00 0.00 O ATOM 1895 CB ILE A 125 4.329 -14.294 5.774 1.00 0.00 C ATOM 1896 CG1 ILE A 125 5.193 -13.457 6.733 1.00 0.00 C ATOM 1897 CG2 ILE A 125 5.280 -14.932 4.748 1.00 0.00 C ATOM 1898 CD1 ILE A 125 6.300 -14.159 7.518 1.00 0.00 C ATOM 0 H ILE A 125 2.521 -13.522 7.120 1.00 0.00 H new ATOM 0 HA ILE A 125 3.517 -12.626 4.789 1.00 0.00 H new ATOM 0 HB ILE A 125 3.821 -15.087 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.654 -12.658 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.525 -12.983 7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.096 -15.431 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 125 4.733 -15.660 4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.685 -14.157 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.816 -13.434 8.147 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.864 -14.938 8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 125 7.010 -14.607 6.823 1.00 0.00 H new ATOM 1910 N ARG A 126 1.856 -15.482 4.388 1.00 0.00 N ATOM 1911 CA ARG A 126 1.135 -16.370 3.530 1.00 0.00 C ATOM 1912 C ARG A 126 0.009 -15.670 2.848 1.00 0.00 C ATOM 1913 O ARG A 126 -0.306 -15.885 1.679 1.00 0.00 O ATOM 1914 CB ARG A 126 0.589 -17.662 4.160 1.00 0.00 C ATOM 1915 CG ARG A 126 -0.080 -18.606 3.159 1.00 0.00 C ATOM 1916 CD ARG A 126 -0.276 -20.072 3.550 1.00 0.00 C ATOM 1917 NE ARG A 126 -1.550 -20.164 4.317 1.00 0.00 N ATOM 1918 CZ ARG A 126 -1.727 -19.793 5.619 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -0.617 -19.611 6.391 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -2.936 -19.922 6.240 1.00 0.00 N ATOM 0 H ARG A 126 1.817 -15.811 5.353 1.00 0.00 H new ATOM 0 HA ARG A 126 1.906 -16.688 2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.407 -18.189 4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.131 -17.400 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -1.060 -18.194 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.507 -18.584 2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.316 -20.703 2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.561 -20.423 4.153 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.362 -20.537 3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.311 -19.752 5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -0.715 -19.334 7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.733 -20.303 5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.042 -19.637 7.214 1.00 0.00 H new ATOM 1934 N GLU A 127 -0.725 -14.839 3.609 1.00 0.00 N ATOM 1935 CA GLU A 127 -1.803 -14.085 3.049 1.00 0.00 C ATOM 1936 C GLU A 127 -1.354 -13.024 2.103 1.00 0.00 C ATOM 1937 O GLU A 127 -1.929 -12.836 1.032 1.00 0.00 O ATOM 1938 CB GLU A 127 -2.733 -13.572 4.161 1.00 0.00 C ATOM 1939 CG GLU A 127 -4.052 -13.002 3.635 1.00 0.00 C ATOM 1940 CD GLU A 127 -5.209 -12.867 4.614 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -4.856 -12.527 5.775 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -6.395 -13.055 4.234 1.00 0.00 O ATOM 0 H GLU A 127 -0.573 -14.690 4.607 1.00 0.00 H new ATOM 0 HA GLU A 127 -2.389 -14.759 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.948 -14.389 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.214 -12.801 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.848 -12.015 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.384 -13.632 2.810 1.00 0.00 H new ATOM 1949 N ALA A 128 -0.153 -12.468 2.340 1.00 0.00 N ATOM 1950 CA ALA A 128 0.436 -11.587 1.380 1.00 0.00 C ATOM 1951 C ALA A 128 1.043 -12.270 0.202 1.00 0.00 C ATOM 1952 O ALA A 128 0.935 -11.773 -0.918 1.00 0.00 O ATOM 1953 CB ALA A 128 1.586 -10.813 2.047 1.00 0.00 C ATOM 0 H ALA A 128 0.403 -12.624 3.181 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.383 -10.957 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.040 -10.139 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.197 -10.235 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.336 -11.516 2.408 1.00 0.00 H new ATOM 1959 N ASP A 129 1.676 -13.450 0.321 1.00 0.00 N ATOM 1960 CA ASP A 129 2.597 -14.005 -0.622 1.00 0.00 C ATOM 1961 C ASP A 129 1.783 -14.770 -1.609 1.00 0.00 C ATOM 1962 O ASP A 129 1.130 -15.772 -1.323 1.00 0.00 O ATOM 1963 CB ASP A 129 3.676 -14.974 -0.110 1.00 0.00 C ATOM 1964 CG ASP A 129 4.828 -14.905 -1.102 1.00 0.00 C ATOM 1965 OD1 ASP A 129 4.825 -15.416 -2.253 1.00 0.00 O ATOM 1966 OD2 ASP A 129 5.784 -14.185 -0.706 1.00 0.00 O ATOM 0 H ASP A 129 1.535 -14.056 1.129 1.00 0.00 H new ATOM 0 HA ASP A 129 3.153 -13.146 -0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.008 -14.692 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 129 3.284 -15.989 -0.041 1.00 0.00 H new ATOM 1971 N ILE A 130 1.672 -14.239 -2.840 1.00 0.00 N ATOM 1972 CA ILE A 130 0.893 -14.779 -3.910 1.00 0.00 C ATOM 1973 C ILE A 130 1.566 -15.925 -4.583 1.00 0.00 C ATOM 1974 O ILE A 130 0.901 -16.859 -5.029 1.00 0.00 O ATOM 1975 CB ILE A 130 0.393 -13.669 -4.786 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -0.969 -13.213 -4.237 1.00 0.00 C ATOM 1977 CG2 ILE A 130 0.518 -13.921 -6.298 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -1.324 -11.754 -4.523 1.00 0.00 C ATOM 0 H ILE A 130 2.156 -13.381 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.008 -15.252 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 130 1.060 -12.809 -4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.746 -13.850 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.980 -13.369 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.130 -13.061 -6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.566 -14.071 -6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.053 -14.809 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.301 -11.527 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.573 -11.102 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -1.351 -11.591 -5.600 1.00 0.00 H new ATOM 1990 N ASP A 131 2.902 -15.850 -4.722 1.00 0.00 N ATOM 1991 CA ASP A 131 3.625 -16.874 -5.410 1.00 0.00 C ATOM 1992 C ASP A 131 3.833 -18.085 -4.568 1.00 0.00 C ATOM 1993 O ASP A 131 3.872 -19.203 -5.078 1.00 0.00 O ATOM 1994 CB ASP A 131 5.032 -16.415 -5.828 1.00 0.00 C ATOM 1995 CG ASP A 131 5.109 -14.976 -6.318 1.00 0.00 C ATOM 1996 OD1 ASP A 131 4.857 -14.732 -7.528 1.00 0.00 O ATOM 1997 OD2 ASP A 131 5.593 -14.107 -5.544 1.00 0.00 O ATOM 0 H ASP A 131 3.477 -15.088 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 131 3.009 -17.100 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.705 -16.533 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 131 5.395 -17.074 -6.617 1.00 0.00 H new ATOM 2002 N GLY A 132 3.869 -17.886 -3.238 1.00 0.00 N ATOM 2003 CA GLY A 132 4.338 -18.896 -2.341 1.00 0.00 C ATOM 2004 C GLY A 132 5.776 -19.195 -2.587 1.00 0.00 C ATOM 2005 O GLY A 132 6.193 -20.347 -2.478 1.00 0.00 O ATOM 0 H GLY A 132 3.572 -17.023 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 132 4.201 -18.566 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 132 3.747 -19.803 -2.466 1.00 0.00 H new ATOM 2009 N ASP A 133 6.583 -18.201 -3.001 1.00 0.00 N ATOM 2010 CA ASP A 133 8.009 -18.254 -3.093 1.00 0.00 C ATOM 2011 C ASP A 133 8.738 -18.109 -1.802 1.00 0.00 C ATOM 2012 O ASP A 133 9.831 -18.631 -1.590 1.00 0.00 O ATOM 2013 CB ASP A 133 8.529 -17.377 -4.244 1.00 0.00 C ATOM 2014 CG ASP A 133 8.401 -15.862 -4.161 1.00 0.00 C ATOM 2015 OD1 ASP A 133 7.816 -15.332 -3.179 1.00 0.00 O ATOM 2016 OD2 ASP A 133 8.868 -15.115 -5.060 1.00 0.00 O ATOM 0 H ASP A 133 6.211 -17.297 -3.292 1.00 0.00 H new ATOM 0 HA ASP A 133 8.256 -19.282 -3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 133 9.586 -17.607 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.018 -17.697 -5.152 1.00 0.00 H new ATOM 2021 N GLY A 134 8.111 -17.402 -0.844 1.00 0.00 N ATOM 2022 CA GLY A 134 8.651 -17.300 0.476 1.00 0.00 C ATOM 2023 C GLY A 134 9.555 -16.123 0.605 1.00 0.00 C ATOM 2024 O GLY A 134 10.108 -15.876 1.675 1.00 0.00 O ATOM 0 H GLY A 134 7.233 -16.902 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.838 -17.217 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 134 9.200 -18.210 0.717 1.00 0.00 H new ATOM 2028 N GLN A 135 9.549 -15.283 -0.446 1.00 0.00 N ATOM 2029 CA GLN A 135 10.012 -13.931 -0.424 1.00 0.00 C ATOM 2030 C GLN A 135 8.887 -12.990 -0.684 1.00 0.00 C ATOM 2031 O GLN A 135 8.135 -13.107 -1.650 1.00 0.00 O ATOM 2032 CB GLN A 135 11.017 -13.708 -1.567 1.00 0.00 C ATOM 2033 CG GLN A 135 12.114 -14.772 -1.639 1.00 0.00 C ATOM 2034 CD GLN A 135 13.342 -14.246 -2.368 1.00 0.00 C ATOM 2035 OE1 GLN A 135 14.348 -13.969 -1.716 1.00 0.00 O ATOM 2036 NE2 GLN A 135 13.340 -14.189 -3.726 1.00 0.00 N ATOM 0 H GLN A 135 9.201 -15.565 -1.362 1.00 0.00 H new ATOM 0 HA GLN A 135 10.459 -13.754 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 135 10.478 -13.690 -2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 135 11.480 -12.729 -1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 135 12.391 -15.082 -0.631 1.00 0.00 H new ATOM 0 HG3 GLN A 135 11.734 -15.656 -2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 135 12.494 -14.423 -4.245 1.00 0.00 H new ATOM 0 HE22 GLN A 135 14.185 -13.912 -4.226 1.00 0.00 H new ATOM 2045 N VAL A 136 8.798 -11.956 0.172 1.00 0.00 N ATOM 2046 CA VAL A 136 7.866 -10.872 0.139 1.00 0.00 C ATOM 2047 C VAL A 136 8.481 -9.783 -0.670 1.00 0.00 C ATOM 2048 O VAL A 136 9.547 -9.240 -0.385 1.00 0.00 O ATOM 2049 CB VAL A 136 7.305 -10.460 1.468 1.00 0.00 C ATOM 2050 CG1 VAL A 136 6.828 -9.004 1.600 1.00 0.00 C ATOM 2051 CG2 VAL A 136 6.037 -11.298 1.701 1.00 0.00 C ATOM 0 H VAL A 136 9.440 -11.874 0.960 1.00 0.00 H new ATOM 0 HA VAL A 136 6.948 -11.201 -0.347 1.00 0.00 H new ATOM 0 HB VAL A 136 8.128 -10.598 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.446 -8.836 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.663 -8.329 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.037 -8.813 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 136 5.595 -11.030 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.320 -11.103 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.296 -12.357 1.704 1.00 0.00 H new ATOM 2061 N ASN A 137 7.827 -9.337 -1.758 1.00 0.00 N ATOM 2062 CA ASN A 137 8.274 -8.240 -2.558 1.00 0.00 C ATOM 2063 C ASN A 137 7.616 -7.000 -2.058 1.00 0.00 C ATOM 2064 O ASN A 137 7.017 -6.967 -0.984 1.00 0.00 O ATOM 2065 CB ASN A 137 8.064 -8.530 -4.054 1.00 0.00 C ATOM 2066 CG ASN A 137 6.663 -8.901 -4.520 1.00 0.00 C ATOM 2067 OD1 ASN A 137 5.699 -8.349 -3.991 1.00 0.00 O ATOM 2068 ND2 ASN A 137 6.579 -9.905 -5.433 1.00 0.00 N ATOM 0 H ASN A 137 6.958 -9.754 -2.091 1.00 0.00 H new ATOM 0 HA ASN A 137 9.350 -8.090 -2.465 1.00 0.00 H new ATOM 0 HB2 ASN A 137 8.379 -7.649 -4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 137 8.735 -9.342 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 137 5.666 -10.253 -5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 137 7.429 -10.310 -5.825 1.00 0.00 H new ATOM 2075 N TYR A 138 7.866 -5.917 -2.816 1.00 0.00 N ATOM 2076 CA TYR A 138 7.399 -4.631 -2.402 1.00 0.00 C ATOM 2077 C TYR A 138 5.910 -4.604 -2.450 1.00 0.00 C ATOM 2078 O TYR A 138 5.284 -4.102 -1.518 1.00 0.00 O ATOM 2079 CB TYR A 138 8.083 -3.541 -3.244 1.00 0.00 C ATOM 2080 CG TYR A 138 7.364 -2.265 -2.971 1.00 0.00 C ATOM 2081 CD1 TYR A 138 7.514 -1.654 -1.748 1.00 0.00 C ATOM 2082 CD2 TYR A 138 6.649 -1.689 -3.994 1.00 0.00 C ATOM 2083 CE1 TYR A 138 6.758 -0.522 -1.557 1.00 0.00 C ATOM 2084 CE2 TYR A 138 6.000 -0.493 -3.791 1.00 0.00 C ATOM 2085 CZ TYR A 138 6.056 0.110 -2.557 1.00 0.00 C ATOM 2086 OH TYR A 138 5.263 1.248 -2.300 1.00 0.00 O ATOM 0 H TYR A 138 8.380 -5.929 -3.697 1.00 0.00 H new ATOM 0 HA TYR A 138 7.670 -4.425 -1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 138 9.137 -3.454 -2.980 1.00 0.00 H new ATOM 0 HB3 TYR A 138 8.040 -3.789 -4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.180 -2.037 -0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 138 6.597 -2.175 -4.957 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.712 -0.104 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 138 5.450 -0.030 -4.597 1.00 0.00 H new ATOM 0 HH TYR A 138 4.846 1.551 -3.134 1.00 0.00 H new ATOM 2096 N GLU A 139 5.245 -5.147 -3.485 1.00 0.00 N ATOM 2097 CA GLU A 139 3.826 -5.138 -3.661 1.00 0.00 C ATOM 2098 C GLU A 139 3.175 -5.931 -2.581 1.00 0.00 C ATOM 2099 O GLU A 139 2.295 -5.398 -1.906 1.00 0.00 O ATOM 2100 CB GLU A 139 3.473 -5.792 -5.008 1.00 0.00 C ATOM 2101 CG GLU A 139 1.977 -5.891 -5.316 1.00 0.00 C ATOM 2102 CD GLU A 139 1.652 -6.281 -6.751 1.00 0.00 C ATOM 2103 OE1 GLU A 139 1.845 -5.488 -7.711 1.00 0.00 O ATOM 2104 OE2 GLU A 139 1.390 -7.501 -6.926 1.00 0.00 O ATOM 0 H GLU A 139 5.729 -5.622 -4.247 1.00 0.00 H new ATOM 0 HA GLU A 139 3.477 -4.106 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 139 3.954 -5.226 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.898 -6.795 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 139 1.528 -6.622 -4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 139 1.510 -4.930 -5.099 1.00 0.00 H new ATOM 2111 N GLU A 140 3.625 -7.162 -2.282 1.00 0.00 N ATOM 2112 CA GLU A 140 3.183 -8.010 -1.218 1.00 0.00 C ATOM 2113 C GLU A 140 3.565 -7.417 0.094 1.00 0.00 C ATOM 2114 O GLU A 140 2.848 -7.536 1.086 1.00 0.00 O ATOM 2115 CB GLU A 140 3.964 -9.333 -1.288 1.00 0.00 C ATOM 2116 CG GLU A 140 3.647 -10.031 -2.612 1.00 0.00 C ATOM 2117 CD GLU A 140 4.552 -11.239 -2.804 1.00 0.00 C ATOM 2118 OE1 GLU A 140 5.778 -11.225 -2.515 1.00 0.00 O ATOM 2119 OE2 GLU A 140 4.078 -12.288 -3.316 1.00 0.00 O ATOM 0 H GLU A 140 4.362 -7.601 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 140 2.105 -8.141 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 140 5.034 -9.143 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.693 -9.975 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 140 2.603 -10.345 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 140 3.780 -9.334 -3.439 1.00 0.00 H new ATOM 2126 N PHE A 141 4.626 -6.616 0.297 1.00 0.00 N ATOM 2127 CA PHE A 141 4.869 -5.800 1.446 1.00 0.00 C ATOM 2128 C PHE A 141 3.798 -4.801 1.723 1.00 0.00 C ATOM 2129 O PHE A 141 3.390 -4.722 2.880 1.00 0.00 O ATOM 2130 CB PHE A 141 6.257 -5.138 1.460 1.00 0.00 C ATOM 2131 CG PHE A 141 6.675 -4.684 2.817 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.700 -5.573 3.866 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.871 -3.348 3.073 1.00 0.00 C ATOM 2134 CE1 PHE A 141 7.049 -5.157 5.129 1.00 0.00 C ATOM 2135 CE2 PHE A 141 7.172 -2.918 4.344 1.00 0.00 C ATOM 2136 CZ PHE A 141 7.136 -3.810 5.390 1.00 0.00 C ATOM 0 H PHE A 141 5.370 -6.533 -0.396 1.00 0.00 H new ATOM 0 HA PHE A 141 4.850 -6.516 2.268 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.994 -5.844 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.252 -4.284 0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.443 -6.608 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.788 -2.631 2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 141 7.252 -5.879 5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 141 7.435 -1.885 4.520 1.00 0.00 H new ATOM 0 HZ PHE A 141 7.176 -3.455 6.409 1.00 0.00 H new ATOM 2146 N VAL A 142 3.404 -3.997 0.719 1.00 0.00 N ATOM 2147 CA VAL A 142 2.381 -3.016 0.910 1.00 0.00 C ATOM 2148 C VAL A 142 1.097 -3.561 1.435 1.00 0.00 C ATOM 2149 O VAL A 142 0.394 -2.986 2.265 1.00 0.00 O ATOM 2150 CB VAL A 142 2.154 -2.313 -0.395 1.00 0.00 C ATOM 2151 CG1 VAL A 142 0.931 -1.386 -0.293 1.00 0.00 C ATOM 2152 CG2 VAL A 142 3.362 -1.490 -0.873 1.00 0.00 C ATOM 0 H VAL A 142 3.793 -4.026 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 142 2.732 -2.328 1.679 1.00 0.00 H new ATOM 0 HB VAL A 142 1.987 -3.100 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.776 -0.881 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.048 -1.975 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.101 -0.644 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.123 -1.011 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.599 -0.727 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.221 -2.148 -1.005 1.00 0.00 H new ATOM 2162 N GLN A 143 0.744 -4.780 0.992 1.00 0.00 N ATOM 2163 CA GLN A 143 -0.395 -5.536 1.412 1.00 0.00 C ATOM 2164 C GLN A 143 -0.324 -5.928 2.847 1.00 0.00 C ATOM 2165 O GLN A 143 -1.338 -5.882 3.542 1.00 0.00 O ATOM 2166 CB GLN A 143 -0.554 -6.878 0.678 1.00 0.00 C ATOM 2167 CG GLN A 143 -0.773 -6.798 -0.834 1.00 0.00 C ATOM 2168 CD GLN A 143 -0.798 -8.115 -1.596 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -0.180 -8.213 -2.655 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -1.475 -9.185 -1.098 1.00 0.00 N ATOM 0 H GLN A 143 1.295 -5.272 0.289 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.221 -4.859 1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.337 -7.478 0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -1.396 -7.412 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -1.717 -6.284 -1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 143 0.014 -6.175 -1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -1.987 -9.101 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -1.471 -10.071 -1.603 1.00 0.00 H new ATOM 2179 N MET A 144 0.862 -6.337 3.334 1.00 0.00 N ATOM 2180 CA MET A 144 1.136 -6.492 4.729 1.00 0.00 C ATOM 2181 C MET A 144 0.864 -5.324 5.614 1.00 0.00 C ATOM 2182 O MET A 144 0.202 -5.521 6.631 1.00 0.00 O ATOM 2183 CB MET A 144 2.584 -6.982 4.898 1.00 0.00 C ATOM 2184 CG MET A 144 2.708 -8.455 4.501 1.00 0.00 C ATOM 2185 SD MET A 144 4.366 -9.149 4.769 1.00 0.00 S ATOM 2186 CE MET A 144 4.497 -9.136 6.580 1.00 0.00 C ATOM 0 H MET A 144 1.656 -6.567 2.737 1.00 0.00 H new ATOM 0 HA MET A 144 0.409 -7.226 5.077 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.251 -6.378 4.284 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.898 -6.852 5.934 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.984 -9.037 5.071 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.445 -8.561 3.448 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.480 -8.767 6.871 1.00 0.00 H new ATOM 0 HE2 MET A 144 3.727 -8.486 6.996 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.362 -10.148 6.962 1.00 0.00 H new ATOM 2196 N MET A 145 1.499 -4.178 5.309 1.00 0.00 N ATOM 2197 CA MET A 145 1.530 -2.972 6.078 1.00 0.00 C ATOM 2198 C MET A 145 1.830 -1.753 5.276 1.00 0.00 C ATOM 2199 O MET A 145 2.618 -1.813 4.333 1.00 0.00 O ATOM 2200 CB MET A 145 2.605 -3.092 7.171 1.00 0.00 C ATOM 2201 CG MET A 145 3.994 -3.365 6.589 1.00 0.00 C ATOM 2202 SD MET A 145 5.192 -3.685 7.918 1.00 0.00 S ATOM 2203 CE MET A 145 5.773 -1.991 8.219 1.00 0.00 C ATOM 0 H MET A 145 2.038 -4.089 4.448 1.00 0.00 H new ATOM 0 HA MET A 145 0.529 -2.855 6.494 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.632 -2.172 7.754 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.336 -3.896 7.856 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.951 -4.222 5.917 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.320 -2.511 5.996 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.801 -2.018 8.581 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.730 -1.421 7.291 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.137 -1.516 8.966 1.00 0.00 H new