USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 664 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 18 MET CE :methyl 175:sc= -2.28! (180deg=0) USER MOD Set 1.2: A 82 MET CE :methyl 154:sc= -8.71! (180deg=-3.22!) USER MOD Set 1.3: A 86 MET CE :methyl -162:sc= -10.1! (180deg=-8.92!) USER MOD Set 2.1: A 38 SER OG : rot 40:sc= 0.422 USER MOD Set 2.2: A 39 THR OG1 : rot -160:sc= -0.266 USER MOD Single : A 6 GLN :FLIP amide:sc= -2.13 F(o=-3.8!,f=-2.1) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.385) USER MOD Single : A 28 MET CE :methyl -149:sc= -0.268 (180deg=-1.78!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 88:sc= 0.014 USER MOD Single : A 46 MET CE :methyl -151:sc= -3.41! (180deg=-6.89!) USER MOD Single : A 48 MET CE :methyl 164:sc= -11.4! (180deg=-12.2!) USER MOD Single : A 51 GLN : amide:sc= -2.01 K(o=-2,f=-9.2!) USER MOD Single : A 52 ASN : amide:sc= -0.437 K(o=-0.44,f=-3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 79:sc= 1.24 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -140:sc= -2.43! (180deg=-5.11!) USER MOD Single : A 85 GLN : amide:sc= 0.742 K(o=0.74,f=-0.49) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot 26:sc= 0.0167 USER MOD Single : B 121 MET CE :methyl 143:sc= -6.11! (180deg=-7.89!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.195 3.253 -1.044 1.00 0.00 N ATOM 68 CA GLN A 6 -13.080 3.203 -0.100 1.00 0.00 C ATOM 69 C GLN A 6 -11.792 3.702 -0.750 1.00 0.00 C ATOM 70 O GLN A 6 -11.031 4.456 -0.144 1.00 0.00 O ATOM 71 CB GLN A 6 -12.887 1.776 0.418 1.00 0.00 C ATOM 72 CG GLN A 6 -12.786 0.735 -0.684 1.00 0.00 C ATOM 73 CD GLN A 6 -12.711 -0.680 -0.144 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.505 -1.232 -0.093 1.00 0.00 O flip ATOM 75 NE2 GLN A 6 -13.727 -1.270 0.225 1.00 0.00 N flip ATOM 0 HA GLN A 6 -13.317 3.857 0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.983 1.738 1.025 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.721 1.520 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.650 0.823 -1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.902 0.936 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.634 -0.808 0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.661 -2.221 0.587 1.00 0.00 H new ATOM 84 N GLN A 7 -11.564 3.284 -1.990 1.00 0.00 N ATOM 85 CA GLN A 7 -10.373 3.697 -2.731 1.00 0.00 C ATOM 86 C GLN A 7 -10.316 5.207 -2.857 1.00 0.00 C ATOM 87 O GLN A 7 -9.240 5.796 -2.962 1.00 0.00 O ATOM 88 CB GLN A 7 -10.346 3.087 -4.136 1.00 0.00 C ATOM 89 CG GLN A 7 -11.718 2.919 -4.776 1.00 0.00 C ATOM 90 CD GLN A 7 -11.669 3.021 -6.288 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.356 4.076 -6.840 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.981 1.923 -6.966 1.00 0.00 N ATOM 0 H GLN A 7 -12.186 2.660 -2.505 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.510 3.339 -2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.733 3.717 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.860 2.113 -4.086 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.131 1.951 -4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.393 3.680 -4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.235 1.070 -6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.967 1.932 -7.986 1.00 0.00 H new ATOM 101 N ALA A 8 -11.485 5.826 -2.864 1.00 0.00 N ATOM 102 CA ALA A 8 -11.579 7.265 -2.998 1.00 0.00 C ATOM 103 C ALA A 8 -11.309 7.960 -1.670 1.00 0.00 C ATOM 104 O ALA A 8 -10.446 8.834 -1.580 1.00 0.00 O ATOM 105 CB ALA A 8 -12.949 7.643 -3.537 1.00 0.00 C ATOM 0 H ALA A 8 -12.383 5.350 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.817 7.598 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.015 8.727 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.097 7.180 -4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.719 7.294 -2.849 1.00 0.00 H new ATOM 111 N GLU A 9 -12.046 7.563 -0.636 1.00 0.00 N ATOM 112 CA GLU A 9 -11.875 8.148 0.688 1.00 0.00 C ATOM 113 C GLU A 9 -10.445 7.946 1.170 1.00 0.00 C ATOM 114 O GLU A 9 -9.828 8.858 1.718 1.00 0.00 O ATOM 115 CB GLU A 9 -12.857 7.526 1.682 1.00 0.00 C ATOM 116 CG GLU A 9 -14.263 7.364 1.129 1.00 0.00 C ATOM 117 CD GLU A 9 -15.332 7.697 2.152 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.136 8.658 2.925 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.366 6.996 2.180 1.00 0.00 O ATOM 0 H GLU A 9 -12.765 6.841 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.079 9.217 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.481 6.550 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.897 8.147 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.384 8.009 0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.399 6.338 0.787 1.00 0.00 H new ATOM 126 N ALA A 10 -9.923 6.743 0.949 1.00 0.00 N ATOM 127 CA ALA A 10 -8.562 6.403 1.341 1.00 0.00 C ATOM 128 C ALA A 10 -7.585 7.509 0.955 1.00 0.00 C ATOM 129 O ALA A 10 -6.873 8.048 1.802 1.00 0.00 O ATOM 130 CB ALA A 10 -8.157 5.092 0.690 1.00 0.00 C ATOM 0 H ALA A 10 -10.429 5.982 0.496 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.531 6.294 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.138 4.839 0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.835 4.301 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.207 5.193 -0.394 1.00 0.00 H new ATOM 136 N ARG A 11 -7.564 7.846 -0.331 1.00 0.00 N ATOM 137 CA ARG A 11 -6.684 8.894 -0.834 1.00 0.00 C ATOM 138 C ARG A 11 -6.904 10.199 -0.074 1.00 0.00 C ATOM 139 O ARG A 11 -6.015 11.048 -0.006 1.00 0.00 O ATOM 140 CB ARG A 11 -6.925 9.115 -2.329 1.00 0.00 C ATOM 141 CG ARG A 11 -5.731 9.715 -3.056 1.00 0.00 C ATOM 142 CD ARG A 11 -5.701 9.301 -4.519 1.00 0.00 C ATOM 143 NE ARG A 11 -5.844 10.446 -5.415 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.007 11.028 -5.697 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.130 10.581 -5.148 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.047 12.061 -6.527 1.00 0.00 N ATOM 0 H ARG A 11 -8.147 7.408 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.653 8.574 -0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.180 8.162 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.785 9.772 -2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.770 10.802 -2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.810 9.397 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.762 8.789 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.503 8.588 -4.711 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.002 10.822 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.104 9.788 -4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.019 11.030 -5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.186 12.410 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.938 12.507 -6.743 1.00 0.00 H new ATOM 160 N ALA A 12 -8.096 10.349 0.497 1.00 0.00 N ATOM 161 CA ALA A 12 -8.438 11.546 1.254 1.00 0.00 C ATOM 162 C ALA A 12 -8.245 11.333 2.753 1.00 0.00 C ATOM 163 O ALA A 12 -8.199 12.294 3.522 1.00 0.00 O ATOM 164 CB ALA A 12 -9.873 11.957 0.961 1.00 0.00 C ATOM 0 H ALA A 12 -8.841 9.654 0.449 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.765 12.345 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.119 12.853 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.982 12.164 -0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.548 11.149 1.245 1.00 0.00 H new ATOM 170 N PHE A 13 -8.139 10.073 3.169 1.00 0.00 N ATOM 171 CA PHE A 13 -7.960 9.752 4.581 1.00 0.00 C ATOM 172 C PHE A 13 -6.582 10.182 5.075 1.00 0.00 C ATOM 173 O PHE A 13 -6.400 10.464 6.259 1.00 0.00 O ATOM 174 CB PHE A 13 -8.151 8.253 4.814 1.00 0.00 C ATOM 175 CG PHE A 13 -8.057 7.862 6.261 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.131 8.055 7.115 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.896 7.302 6.767 1.00 0.00 C ATOM 178 CE1 PHE A 13 -9.048 7.699 8.447 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.805 6.944 8.098 1.00 0.00 C ATOM 180 CZ PHE A 13 -7.883 7.142 8.939 1.00 0.00 C ATOM 0 H PHE A 13 -8.174 9.262 2.551 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.713 10.302 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.124 7.953 4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.399 7.705 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.044 8.489 6.735 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.051 7.143 6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.892 7.856 9.103 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.893 6.510 8.480 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.815 6.862 9.980 1.00 0.00 H new ATOM 190 N LEU A 14 -5.614 10.226 4.166 1.00 0.00 N ATOM 191 CA LEU A 14 -4.254 10.617 4.520 1.00 0.00 C ATOM 192 C LEU A 14 -3.877 11.941 3.864 1.00 0.00 C ATOM 193 O LEU A 14 -4.632 12.485 3.057 1.00 0.00 O ATOM 194 CB LEU A 14 -3.262 9.528 4.104 1.00 0.00 C ATOM 195 CG LEU A 14 -3.778 8.093 4.251 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.898 7.424 2.890 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.867 7.286 5.165 1.00 0.00 C ATOM 0 H LEU A 14 -5.745 9.996 3.181 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.212 10.744 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.980 9.692 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.356 9.635 4.701 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.769 8.132 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.266 6.406 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.594 7.987 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.920 7.399 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.251 6.270 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.862 7.258 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.835 7.752 6.150 1.00 0.00 H new ATOM 209 N SER A 15 -2.703 12.453 4.216 1.00 0.00 N ATOM 210 CA SER A 15 -2.218 13.713 3.663 1.00 0.00 C ATOM 211 C SER A 15 -1.418 13.470 2.390 1.00 0.00 C ATOM 212 O SER A 15 -0.954 12.358 2.143 1.00 0.00 O ATOM 213 CB SER A 15 -1.346 14.442 4.688 1.00 0.00 C ATOM 214 OG SER A 15 -1.563 15.842 4.637 1.00 0.00 O ATOM 0 H SER A 15 -2.068 12.014 4.883 1.00 0.00 H new ATOM 0 HA SER A 15 -3.082 14.332 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.569 14.072 5.689 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.295 14.226 4.495 1.00 0.00 H new ATOM 0 HG SER A 15 -0.996 16.285 5.302 1.00 0.00 H new ATOM 220 N GLU A 16 -1.246 14.519 1.590 1.00 0.00 N ATOM 221 CA GLU A 16 -0.480 14.409 0.353 1.00 0.00 C ATOM 222 C GLU A 16 0.865 13.744 0.625 1.00 0.00 C ATOM 223 O GLU A 16 1.438 13.088 -0.245 1.00 0.00 O ATOM 224 CB GLU A 16 -0.270 15.793 -0.270 1.00 0.00 C ATOM 225 CG GLU A 16 -1.098 16.028 -1.523 1.00 0.00 C ATOM 226 CD GLU A 16 -0.630 15.190 -2.697 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.049 14.018 -2.794 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.158 15.706 -3.517 1.00 0.00 O ATOM 0 H GLU A 16 -1.624 15.448 1.775 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.041 13.793 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.518 16.556 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.785 15.916 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.143 15.799 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.051 17.083 -1.793 1.00 0.00 H new ATOM 235 N GLU A 17 1.354 13.915 1.850 1.00 0.00 N ATOM 236 CA GLU A 17 2.619 13.330 2.265 1.00 0.00 C ATOM 237 C GLU A 17 2.561 11.809 2.176 1.00 0.00 C ATOM 238 O GLU A 17 3.471 11.170 1.646 1.00 0.00 O ATOM 239 CB GLU A 17 2.941 13.755 3.700 1.00 0.00 C ATOM 240 CG GLU A 17 3.833 14.983 3.785 1.00 0.00 C ATOM 241 CD GLU A 17 4.950 14.823 4.799 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.648 14.525 5.973 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.127 14.997 4.417 1.00 0.00 O ATOM 0 H GLU A 17 0.887 14.459 2.575 1.00 0.00 H new ATOM 0 HA GLU A 17 3.403 13.687 1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.009 13.956 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.427 12.927 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.264 15.183 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.228 15.850 4.050 1.00 0.00 H new ATOM 250 N MET A 18 1.482 11.236 2.698 1.00 0.00 N ATOM 251 CA MET A 18 1.295 9.790 2.682 1.00 0.00 C ATOM 252 C MET A 18 0.923 9.298 1.283 1.00 0.00 C ATOM 253 O MET A 18 1.053 8.112 0.981 1.00 0.00 O ATOM 254 CB MET A 18 0.210 9.388 3.685 1.00 0.00 C ATOM 255 CG MET A 18 0.484 8.067 4.387 1.00 0.00 C ATOM 256 SD MET A 18 1.481 8.262 5.880 1.00 0.00 S ATOM 257 CE MET A 18 1.103 6.740 6.748 1.00 0.00 C ATOM 0 H MET A 18 0.721 11.753 3.139 1.00 0.00 H new ATOM 0 HA MET A 18 2.238 9.324 2.967 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.111 10.174 4.434 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.746 9.321 3.165 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.464 7.596 4.647 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.996 7.394 3.699 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.713 6.674 7.649 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.048 6.730 7.023 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.317 5.889 6.101 1.00 0.00 H new ATOM 267 N ILE A 19 0.465 10.213 0.430 1.00 0.00 N ATOM 268 CA ILE A 19 0.082 9.864 -0.934 1.00 0.00 C ATOM 269 C ILE A 19 1.307 9.799 -1.840 1.00 0.00 C ATOM 270 O ILE A 19 1.659 8.735 -2.348 1.00 0.00 O ATOM 271 CB ILE A 19 -0.933 10.876 -1.511 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.304 10.675 -0.863 1.00 0.00 C ATOM 273 CG2 ILE A 19 -1.034 10.743 -3.027 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.351 11.653 -1.348 1.00 0.00 C ATOM 0 H ILE A 19 0.351 11.200 0.660 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.389 8.882 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.581 11.882 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.646 9.660 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.203 10.770 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.755 11.466 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.058 10.932 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.361 9.735 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.297 11.451 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.031 12.670 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.481 11.543 -2.425 1.00 0.00 H new ATOM 286 N ALA A 20 1.957 10.943 -2.035 1.00 0.00 N ATOM 287 CA ALA A 20 3.147 11.013 -2.874 1.00 0.00 C ATOM 288 C ALA A 20 4.150 9.933 -2.483 1.00 0.00 C ATOM 289 O ALA A 20 4.937 9.469 -3.307 1.00 0.00 O ATOM 290 CB ALA A 20 3.779 12.392 -2.770 1.00 0.00 C ATOM 0 H ALA A 20 1.679 11.834 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 20 2.852 10.840 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.667 12.434 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.064 13.146 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.059 12.587 -1.735 1.00 0.00 H new ATOM 296 N GLU A 21 4.098 9.527 -1.219 1.00 0.00 N ATOM 297 CA GLU A 21 4.978 8.490 -0.705 1.00 0.00 C ATOM 298 C GLU A 21 4.367 7.116 -0.959 1.00 0.00 C ATOM 299 O GLU A 21 5.078 6.134 -1.165 1.00 0.00 O ATOM 300 CB GLU A 21 5.216 8.697 0.792 1.00 0.00 C ATOM 301 CG GLU A 21 5.914 10.006 1.121 1.00 0.00 C ATOM 302 CD GLU A 21 5.897 10.319 2.606 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.723 9.378 3.408 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.060 11.504 2.965 1.00 0.00 O ATOM 0 H GLU A 21 3.449 9.905 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 21 5.936 8.549 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.258 8.665 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.814 7.870 1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.947 9.960 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.431 10.818 0.577 1.00 0.00 H new ATOM 311 N PHE A 22 3.037 7.065 -0.955 1.00 0.00 N ATOM 312 CA PHE A 22 2.312 5.825 -1.199 1.00 0.00 C ATOM 313 C PHE A 22 2.642 5.284 -2.584 1.00 0.00 C ATOM 314 O PHE A 22 2.733 4.074 -2.789 1.00 0.00 O ATOM 315 CB PHE A 22 0.804 6.064 -1.081 1.00 0.00 C ATOM 316 CG PHE A 22 0.166 5.348 0.075 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.442 4.012 0.316 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.710 6.012 0.918 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.145 3.351 1.376 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.300 5.355 1.980 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.018 4.023 2.209 1.00 0.00 C ATOM 0 H PHE A 22 2.439 7.873 -0.784 1.00 0.00 H new ATOM 0 HA PHE A 22 2.616 5.092 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.622 7.134 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.322 5.745 -2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.124 3.482 -0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.934 7.054 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.078 2.309 1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.981 5.883 2.631 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.479 3.507 3.038 1.00 0.00 H new ATOM 331 N LYS A 23 2.820 6.197 -3.533 1.00 0.00 N ATOM 332 CA LYS A 23 3.142 5.828 -4.905 1.00 0.00 C ATOM 333 C LYS A 23 4.630 5.514 -5.056 1.00 0.00 C ATOM 334 O LYS A 23 5.069 5.041 -6.104 1.00 0.00 O ATOM 335 CB LYS A 23 2.747 6.956 -5.860 1.00 0.00 C ATOM 336 CG LYS A 23 2.471 6.484 -7.279 1.00 0.00 C ATOM 337 CD LYS A 23 0.981 6.318 -7.532 1.00 0.00 C ATOM 338 CE LYS A 23 0.433 7.448 -8.391 1.00 0.00 C ATOM 339 NZ LYS A 23 0.656 7.201 -9.843 1.00 0.00 N ATOM 0 H LYS A 23 2.746 7.202 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 23 2.577 4.930 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.858 7.454 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.545 7.698 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.884 7.201 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.978 5.535 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.799 5.363 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.450 6.292 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.634 7.563 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.910 8.385 -8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.086 7.678 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.587 7.574 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.623 6.179 -10.030 1.00 0.00 H new ATOM 353 N ALA A 24 5.403 5.787 -4.006 1.00 0.00 N ATOM 354 CA ALA A 24 6.845 5.543 -4.018 1.00 0.00 C ATOM 355 C ALA A 24 7.196 4.186 -4.624 1.00 0.00 C ATOM 356 O ALA A 24 7.716 4.107 -5.737 1.00 0.00 O ATOM 357 CB ALA A 24 7.399 5.634 -2.606 1.00 0.00 C ATOM 0 H ALA A 24 5.053 6.179 -3.132 1.00 0.00 H new ATOM 0 HA ALA A 24 7.299 6.311 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.473 5.451 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.207 6.629 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.914 4.888 -1.976 1.00 0.00 H new ATOM 363 N ALA A 25 6.925 3.123 -3.874 1.00 0.00 N ATOM 364 CA ALA A 25 7.226 1.766 -4.321 1.00 0.00 C ATOM 365 C ALA A 25 6.249 1.274 -5.389 1.00 0.00 C ATOM 366 O ALA A 25 6.376 0.153 -5.880 1.00 0.00 O ATOM 367 CB ALA A 25 7.228 0.820 -3.131 1.00 0.00 C ATOM 0 H ALA A 25 6.496 3.175 -2.950 1.00 0.00 H new ATOM 0 HA ALA A 25 8.215 1.783 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.453 -0.191 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.984 1.139 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.248 0.833 -2.654 1.00 0.00 H new ATOM 373 N PHE A 26 5.273 2.108 -5.747 1.00 0.00 N ATOM 374 CA PHE A 26 4.282 1.738 -6.757 1.00 0.00 C ATOM 375 C PHE A 26 4.941 1.145 -8.001 1.00 0.00 C ATOM 376 O PHE A 26 4.337 0.341 -8.710 1.00 0.00 O ATOM 377 CB PHE A 26 3.446 2.957 -7.148 1.00 0.00 C ATOM 378 CG PHE A 26 2.071 2.605 -7.643 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.891 2.083 -8.914 1.00 0.00 C ATOM 380 CD2 PHE A 26 0.960 2.798 -6.837 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.629 1.758 -9.371 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.304 2.475 -7.290 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.471 1.955 -8.559 1.00 0.00 C ATOM 0 H PHE A 26 5.148 3.041 -5.354 1.00 0.00 H new ATOM 0 HA PHE A 26 3.635 0.977 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.355 3.618 -6.286 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.971 3.515 -7.923 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.747 1.929 -9.554 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.084 3.205 -5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.502 1.350 -10.363 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.162 2.629 -6.652 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.459 1.703 -8.915 1.00 0.00 H new ATOM 393 N ASP A 27 6.179 1.550 -8.265 1.00 0.00 N ATOM 394 CA ASP A 27 6.911 1.059 -9.429 1.00 0.00 C ATOM 395 C ASP A 27 7.618 -0.259 -9.124 1.00 0.00 C ATOM 396 O ASP A 27 7.501 -1.225 -9.879 1.00 0.00 O ATOM 397 CB ASP A 27 7.930 2.102 -9.894 1.00 0.00 C ATOM 398 CG ASP A 27 8.814 2.592 -8.763 1.00 0.00 C ATOM 399 OD1 ASP A 27 9.780 1.884 -8.414 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.538 3.686 -8.227 1.00 0.00 O ATOM 0 H ASP A 27 6.696 2.215 -7.691 1.00 0.00 H new ATOM 0 HA ASP A 27 6.189 0.882 -10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.553 1.672 -10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.404 2.949 -10.333 1.00 0.00 H new ATOM 405 N MET A 28 8.355 -0.291 -8.019 1.00 0.00 N ATOM 406 CA MET A 28 9.086 -1.490 -7.621 1.00 0.00 C ATOM 407 C MET A 28 8.133 -2.643 -7.315 1.00 0.00 C ATOM 408 O MET A 28 8.490 -3.811 -7.467 1.00 0.00 O ATOM 409 CB MET A 28 9.957 -1.195 -6.398 1.00 0.00 C ATOM 410 CG MET A 28 11.323 -1.862 -6.450 1.00 0.00 C ATOM 411 SD MET A 28 12.661 -0.746 -5.982 1.00 0.00 S ATOM 412 CE MET A 28 12.454 0.559 -7.193 1.00 0.00 C ATOM 0 H MET A 28 8.462 0.499 -7.383 1.00 0.00 H new ATOM 0 HA MET A 28 9.723 -1.787 -8.454 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.091 -0.117 -6.309 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.434 -1.526 -5.501 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.327 -2.726 -5.785 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.502 -2.235 -7.458 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.424 1.001 -7.421 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.021 0.145 -8.104 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.791 1.326 -6.792 1.00 0.00 H new ATOM 422 N PHE A 29 6.923 -2.309 -6.882 1.00 0.00 N ATOM 423 CA PHE A 29 5.921 -3.317 -6.551 1.00 0.00 C ATOM 424 C PHE A 29 5.643 -4.229 -7.743 1.00 0.00 C ATOM 425 O PHE A 29 6.062 -5.386 -7.767 1.00 0.00 O ATOM 426 CB PHE A 29 4.622 -2.648 -6.103 1.00 0.00 C ATOM 427 CG PHE A 29 4.594 -2.307 -4.642 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.712 -3.299 -3.681 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.448 -0.994 -4.229 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.686 -2.984 -2.336 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.421 -0.674 -2.886 1.00 0.00 C ATOM 432 CZ PHE A 29 4.540 -1.671 -1.939 1.00 0.00 C ATOM 0 H PHE A 29 6.611 -1.347 -6.752 1.00 0.00 H new ATOM 0 HA PHE A 29 6.315 -3.923 -5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.474 -1.737 -6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.786 -3.310 -6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.825 -4.329 -3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.354 -0.210 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.780 -3.765 -1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.307 0.355 -2.577 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.519 -1.423 -0.888 1.00 0.00 H new ATOM 442 N ASP A 30 4.923 -3.699 -8.729 1.00 0.00 N ATOM 443 CA ASP A 30 4.576 -4.459 -9.924 1.00 0.00 C ATOM 444 C ASP A 30 5.803 -5.123 -10.540 1.00 0.00 C ATOM 445 O ASP A 30 6.753 -4.450 -10.940 1.00 0.00 O ATOM 446 CB ASP A 30 3.906 -3.551 -10.956 1.00 0.00 C ATOM 447 CG ASP A 30 2.468 -3.233 -10.597 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.701 -4.180 -10.323 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.107 -2.037 -10.590 1.00 0.00 O ATOM 0 H ASP A 30 4.568 -2.743 -8.722 1.00 0.00 H new ATOM 0 HA ASP A 30 3.879 -5.242 -9.625 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.471 -2.622 -11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.936 -4.032 -11.934 1.00 0.00 H new ATOM 454 N ALA A 31 5.767 -6.446 -10.615 1.00 0.00 N ATOM 455 CA ALA A 31 6.868 -7.213 -11.185 1.00 0.00 C ATOM 456 C ALA A 31 6.646 -7.454 -12.673 1.00 0.00 C ATOM 457 O ALA A 31 7.536 -7.223 -13.491 1.00 0.00 O ATOM 458 CB ALA A 31 7.022 -8.536 -10.453 1.00 0.00 C ATOM 0 H ALA A 31 4.985 -7.013 -10.287 1.00 0.00 H new ATOM 0 HA ALA A 31 7.785 -6.636 -11.066 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.848 -9.099 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.228 -8.347 -9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.101 -9.112 -10.545 1.00 0.00 H new ATOM 464 N ASP A 32 5.449 -7.917 -13.015 1.00 0.00 N ATOM 465 CA ASP A 32 5.100 -8.188 -14.403 1.00 0.00 C ATOM 466 C ASP A 32 4.526 -6.943 -15.071 1.00 0.00 C ATOM 467 O ASP A 32 4.610 -6.783 -16.288 1.00 0.00 O ATOM 468 CB ASP A 32 4.089 -9.334 -14.483 1.00 0.00 C ATOM 469 CG ASP A 32 2.827 -9.046 -13.691 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.926 -8.387 -12.634 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.740 -9.479 -14.129 1.00 0.00 O ATOM 0 H ASP A 32 4.703 -8.113 -12.348 1.00 0.00 H new ATOM 0 HA ASP A 32 6.009 -8.477 -14.930 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.828 -9.513 -15.526 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.549 -10.248 -14.109 1.00 0.00 H new ATOM 497 N ASP A 36 -1.925 -6.164 -10.497 1.00 0.00 N ATOM 498 CA ASP A 36 -1.920 -5.494 -9.201 1.00 0.00 C ATOM 499 C ASP A 36 -0.804 -6.032 -8.314 1.00 0.00 C ATOM 500 O ASP A 36 -0.005 -6.867 -8.739 1.00 0.00 O ATOM 501 CB ASP A 36 -3.269 -5.675 -8.504 1.00 0.00 C ATOM 502 CG ASP A 36 -4.285 -4.636 -8.932 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.868 -3.564 -9.420 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.498 -4.893 -8.781 1.00 0.00 O ATOM 0 HA ASP A 36 -1.745 -4.432 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.657 -6.670 -8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.128 -5.618 -7.425 1.00 0.00 H new ATOM 509 N ILE A 37 -0.755 -5.546 -7.081 1.00 0.00 N ATOM 510 CA ILE A 37 0.261 -5.971 -6.129 1.00 0.00 C ATOM 511 C ILE A 37 -0.187 -7.213 -5.362 1.00 0.00 C ATOM 512 O ILE A 37 -1.300 -7.265 -4.837 1.00 0.00 O ATOM 513 CB ILE A 37 0.587 -4.842 -5.133 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.127 -3.624 -5.882 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.581 -5.316 -4.082 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.595 -2.510 -4.972 1.00 0.00 C ATOM 0 H ILE A 37 -1.410 -4.854 -6.716 1.00 0.00 H new ATOM 0 HA ILE A 37 1.158 -6.214 -6.698 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.330 -4.556 -4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.957 -3.937 -6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.349 -3.240 -6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.795 -4.501 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.157 -6.156 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.504 -5.630 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.965 -1.680 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.763 -2.169 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.395 -2.877 -4.330 1.00 0.00 H new ATOM 528 N SER A 38 0.692 -8.208 -5.299 1.00 0.00 N ATOM 529 CA SER A 38 0.396 -9.450 -4.596 1.00 0.00 C ATOM 530 C SER A 38 1.235 -9.565 -3.325 1.00 0.00 C ATOM 531 O SER A 38 1.814 -8.582 -2.862 1.00 0.00 O ATOM 532 CB SER A 38 0.659 -10.650 -5.508 1.00 0.00 C ATOM 533 OG SER A 38 0.269 -11.861 -4.882 1.00 0.00 O ATOM 0 H SER A 38 1.617 -8.178 -5.728 1.00 0.00 H new ATOM 0 HA SER A 38 -0.657 -9.441 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.112 -10.527 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.718 -10.693 -5.762 1.00 0.00 H new ATOM 0 HG SER A 38 -0.570 -11.722 -4.395 1.00 0.00 H new ATOM 539 N THR A 39 1.296 -10.769 -2.765 1.00 0.00 N ATOM 540 CA THR A 39 2.063 -11.009 -1.548 1.00 0.00 C ATOM 541 C THR A 39 3.561 -10.893 -1.814 1.00 0.00 C ATOM 542 O THR A 39 4.280 -10.213 -1.081 1.00 0.00 O ATOM 543 CB THR A 39 1.742 -12.393 -0.983 1.00 0.00 C ATOM 544 OG1 THR A 39 2.037 -13.403 -1.931 1.00 0.00 O ATOM 545 CG2 THR A 39 0.292 -12.554 -0.579 1.00 0.00 C ATOM 0 H THR A 39 0.823 -11.594 -3.135 1.00 0.00 H new ATOM 0 HA THR A 39 1.782 -10.250 -0.818 1.00 0.00 H new ATOM 0 HB THR A 39 2.364 -12.492 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.549 -14.221 -1.700 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.133 -13.558 -0.187 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.045 -11.821 0.189 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.347 -12.399 -1.448 1.00 0.00 H new ATOM 553 N LYS A 40 4.025 -11.561 -2.864 1.00 0.00 N ATOM 554 CA LYS A 40 5.438 -11.536 -3.224 1.00 0.00 C ATOM 555 C LYS A 40 5.883 -10.127 -3.605 1.00 0.00 C ATOM 556 O LYS A 40 7.039 -9.755 -3.403 1.00 0.00 O ATOM 557 CB LYS A 40 5.707 -12.498 -4.383 1.00 0.00 C ATOM 558 CG LYS A 40 4.817 -12.258 -5.593 1.00 0.00 C ATOM 559 CD LYS A 40 5.560 -12.522 -6.892 1.00 0.00 C ATOM 560 CE LYS A 40 4.611 -12.562 -8.079 1.00 0.00 C ATOM 561 NZ LYS A 40 5.338 -12.457 -9.375 1.00 0.00 N ATOM 0 H LYS A 40 3.443 -12.127 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 40 6.012 -11.854 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.750 -12.406 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.565 -13.521 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.941 -12.904 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.456 -11.230 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.308 -11.745 -7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.095 -13.469 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.041 -13.491 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.894 -11.745 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.656 -12.488 -10.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.862 -11.559 -9.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.005 -13.250 -9.464 1.00 0.00 H new ATOM 575 N GLU A 41 4.960 -9.348 -4.159 1.00 0.00 N ATOM 576 CA GLU A 41 5.258 -7.980 -4.572 1.00 0.00 C ATOM 577 C GLU A 41 5.478 -7.074 -3.363 1.00 0.00 C ATOM 578 O GLU A 41 6.156 -6.052 -3.461 1.00 0.00 O ATOM 579 CB GLU A 41 4.123 -7.428 -5.435 1.00 0.00 C ATOM 580 CG GLU A 41 3.918 -8.193 -6.732 1.00 0.00 C ATOM 581 CD GLU A 41 3.058 -7.438 -7.727 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.133 -6.192 -7.751 1.00 0.00 O ATOM 583 OE2 GLU A 41 2.310 -8.093 -8.483 1.00 0.00 O ATOM 0 H GLU A 41 3.998 -9.640 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 41 6.178 -8.000 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.197 -7.449 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.330 -6.383 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.888 -8.403 -7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.454 -9.154 -6.513 1.00 0.00 H new ATOM 590 N LEU A 42 4.895 -7.447 -2.228 1.00 0.00 N ATOM 591 CA LEU A 42 5.027 -6.656 -1.010 1.00 0.00 C ATOM 592 C LEU A 42 6.354 -6.934 -0.310 1.00 0.00 C ATOM 593 O LEU A 42 7.136 -6.018 -0.057 1.00 0.00 O ATOM 594 CB LEU A 42 3.860 -6.940 -0.062 1.00 0.00 C ATOM 595 CG LEU A 42 2.927 -5.754 0.185 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.696 -4.584 0.780 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.242 -5.339 -1.108 1.00 0.00 C ATOM 0 H LEU A 42 4.329 -8.289 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 42 5.008 -5.603 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.275 -7.766 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.261 -7.273 0.895 1.00 0.00 H new ATOM 0 HG LEU A 42 2.162 -6.060 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.015 -3.749 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.142 -4.886 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.482 -4.277 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.581 -4.494 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.994 -5.051 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.658 -6.174 -1.495 1.00 0.00 H new ATOM 609 N GLY A 43 6.603 -8.202 0.003 1.00 0.00 N ATOM 610 CA GLY A 43 7.837 -8.572 0.673 1.00 0.00 C ATOM 611 C GLY A 43 9.068 -8.017 -0.020 1.00 0.00 C ATOM 612 O GLY A 43 10.075 -7.729 0.623 1.00 0.00 O ATOM 0 H GLY A 43 5.973 -8.979 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.810 -8.211 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.909 -9.659 0.719 1.00 0.00 H new ATOM 616 N THR A 44 8.982 -7.867 -1.337 1.00 0.00 N ATOM 617 CA THR A 44 10.093 -7.345 -2.126 1.00 0.00 C ATOM 618 C THR A 44 10.532 -5.971 -1.619 1.00 0.00 C ATOM 619 O THR A 44 11.551 -5.842 -0.941 1.00 0.00 O ATOM 620 CB THR A 44 9.685 -7.263 -3.606 1.00 0.00 C ATOM 621 OG1 THR A 44 9.927 -8.497 -4.258 1.00 0.00 O ATOM 622 CG2 THR A 44 10.409 -6.184 -4.391 1.00 0.00 C ATOM 0 H THR A 44 8.152 -8.100 -1.883 1.00 0.00 H new ATOM 0 HA THR A 44 10.939 -8.025 -2.023 1.00 0.00 H new ATOM 0 HB THR A 44 8.624 -7.015 -3.589 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.142 -9.076 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.064 -6.193 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.201 -5.210 -3.947 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.482 -6.373 -4.365 1.00 0.00 H new ATOM 630 N VAL A 45 9.760 -4.952 -1.973 1.00 0.00 N ATOM 631 CA VAL A 45 10.054 -3.580 -1.585 1.00 0.00 C ATOM 632 C VAL A 45 10.080 -3.407 -0.069 1.00 0.00 C ATOM 633 O VAL A 45 10.797 -2.555 0.455 1.00 0.00 O ATOM 634 CB VAL A 45 9.009 -2.620 -2.180 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.611 -3.029 -1.743 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.306 -1.178 -1.789 1.00 0.00 C ATOM 0 H VAL A 45 8.915 -5.053 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 45 11.044 -3.345 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 45 9.062 -2.683 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.881 -2.342 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.403 -4.041 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.546 -2.997 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.552 -0.521 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.288 -1.084 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.291 -0.896 -2.161 1.00 0.00 H new ATOM 646 N MET A 46 9.285 -4.204 0.630 1.00 0.00 N ATOM 647 CA MET A 46 9.209 -4.119 2.082 1.00 0.00 C ATOM 648 C MET A 46 10.456 -4.699 2.745 1.00 0.00 C ATOM 649 O MET A 46 10.895 -4.210 3.785 1.00 0.00 O ATOM 650 CB MET A 46 7.956 -4.838 2.584 1.00 0.00 C ATOM 651 CG MET A 46 6.675 -4.057 2.338 1.00 0.00 C ATOM 652 SD MET A 46 5.571 -4.045 3.766 1.00 0.00 S ATOM 653 CE MET A 46 5.927 -2.433 4.463 1.00 0.00 C ATOM 0 H MET A 46 8.684 -4.916 0.216 1.00 0.00 H new ATOM 0 HA MET A 46 9.151 -3.065 2.354 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.881 -5.809 2.093 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.058 -5.028 3.652 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.927 -3.030 2.072 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.151 -4.488 1.485 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.764 -2.458 5.540 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.965 -2.169 4.259 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.269 -1.689 4.014 1.00 0.00 H new ATOM 663 N ARG A 47 11.023 -5.741 2.143 1.00 0.00 N ATOM 664 CA ARG A 47 12.218 -6.380 2.691 1.00 0.00 C ATOM 665 C ARG A 47 13.488 -5.638 2.284 1.00 0.00 C ATOM 666 O ARG A 47 14.497 -5.692 2.986 1.00 0.00 O ATOM 667 CB ARG A 47 12.304 -7.836 2.230 1.00 0.00 C ATOM 668 CG ARG A 47 11.259 -8.739 2.866 1.00 0.00 C ATOM 669 CD ARG A 47 11.211 -10.101 2.190 1.00 0.00 C ATOM 670 NE ARG A 47 12.481 -10.815 2.306 1.00 0.00 N ATOM 671 CZ ARG A 47 13.457 -10.757 1.401 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.317 -10.024 0.303 1.00 0.00 N ATOM 673 NH2 ARG A 47 14.578 -11.438 1.594 1.00 0.00 N ATOM 0 H ARG A 47 10.677 -6.160 1.280 1.00 0.00 H new ATOM 0 HA ARG A 47 12.136 -6.347 3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.192 -7.872 1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.296 -8.224 2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.483 -8.865 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.280 -8.265 2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.417 -10.699 2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.961 -9.974 1.137 1.00 0.00 H new ATOM 0 HE ARG A 47 12.629 -11.394 3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.457 -9.499 0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.070 -9.986 -0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.692 -12.005 2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.326 -11.395 0.902 1.00 0.00 H new ATOM 687 N MET A 48 13.439 -4.949 1.148 1.00 0.00 N ATOM 688 CA MET A 48 14.597 -4.208 0.660 1.00 0.00 C ATOM 689 C MET A 48 14.559 -2.747 1.105 1.00 0.00 C ATOM 690 O MET A 48 15.351 -1.930 0.635 1.00 0.00 O ATOM 691 CB MET A 48 14.675 -4.287 -0.866 1.00 0.00 C ATOM 692 CG MET A 48 13.495 -3.636 -1.570 1.00 0.00 C ATOM 693 SD MET A 48 14.002 -2.495 -2.870 1.00 0.00 S ATOM 694 CE MET A 48 12.628 -1.349 -2.862 1.00 0.00 C ATOM 0 H MET A 48 12.614 -4.888 0.551 1.00 0.00 H new ATOM 0 HA MET A 48 15.487 -4.668 1.091 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.596 -3.808 -1.200 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.733 -5.334 -1.165 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.861 -4.411 -2.000 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.891 -3.100 -0.838 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.909 -0.440 -3.394 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.770 -1.807 -3.354 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.367 -1.101 -1.833 1.00 0.00 H new ATOM 704 N LEU A 49 13.640 -2.418 2.009 1.00 0.00 N ATOM 705 CA LEU A 49 13.518 -1.051 2.502 1.00 0.00 C ATOM 706 C LEU A 49 13.704 -0.994 4.015 1.00 0.00 C ATOM 707 O LEU A 49 14.379 -0.103 4.532 1.00 0.00 O ATOM 708 CB LEU A 49 12.158 -0.463 2.120 1.00 0.00 C ATOM 709 CG LEU A 49 12.049 0.042 0.679 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.735 0.779 0.470 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.226 0.944 0.335 1.00 0.00 C ATOM 0 H LEU A 49 12.973 -3.076 2.413 1.00 0.00 H new ATOM 0 HA LEU A 49 14.305 -0.457 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.393 -1.223 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.934 0.363 2.796 1.00 0.00 H new ATOM 0 HG LEU A 49 12.072 -0.820 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.675 1.131 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.903 0.104 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.684 1.631 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.129 1.292 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.237 1.801 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.156 0.386 0.443 1.00 0.00 H new ATOM 723 N GLY A 50 13.104 -1.947 4.722 1.00 0.00 N ATOM 724 CA GLY A 50 13.222 -1.976 6.169 1.00 0.00 C ATOM 725 C GLY A 50 12.294 -2.985 6.817 1.00 0.00 C ATOM 726 O GLY A 50 12.690 -3.697 7.738 1.00 0.00 O ATOM 0 H GLY A 50 12.540 -2.697 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.251 -2.211 6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.006 -0.984 6.566 1.00 0.00 H new ATOM 730 N GLN A 51 11.055 -3.045 6.339 1.00 0.00 N ATOM 731 CA GLN A 51 10.072 -3.974 6.885 1.00 0.00 C ATOM 732 C GLN A 51 10.455 -5.416 6.565 1.00 0.00 C ATOM 733 O GLN A 51 11.270 -5.669 5.679 1.00 0.00 O ATOM 734 CB GLN A 51 8.679 -3.662 6.333 1.00 0.00 C ATOM 735 CG GLN A 51 8.147 -2.305 6.768 1.00 0.00 C ATOM 736 CD GLN A 51 8.717 -1.164 5.950 1.00 0.00 C ATOM 737 OE1 GLN A 51 9.409 -1.381 4.955 1.00 0.00 O ATOM 738 NE2 GLN A 51 8.429 0.064 6.368 1.00 0.00 N ATOM 0 H GLN A 51 10.709 -2.463 5.577 1.00 0.00 H new ATOM 0 HA GLN A 51 10.055 -3.854 7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.711 -3.699 5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.985 -4.437 6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.060 -2.301 6.682 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.384 -2.146 7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.852 0.198 7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.785 0.873 5.859 1.00 0.00 H new ATOM 747 N ASN A 52 9.870 -6.360 7.293 1.00 0.00 N ATOM 748 CA ASN A 52 10.165 -7.771 7.080 1.00 0.00 C ATOM 749 C ASN A 52 8.926 -8.640 7.288 1.00 0.00 C ATOM 750 O ASN A 52 8.956 -9.608 8.049 1.00 0.00 O ATOM 751 CB ASN A 52 11.280 -8.222 8.022 1.00 0.00 C ATOM 752 CG ASN A 52 12.659 -7.977 7.444 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.044 -6.836 7.189 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.412 -9.050 7.234 1.00 0.00 N ATOM 0 H ASN A 52 9.192 -6.175 8.032 1.00 0.00 H new ATOM 0 HA ASN A 52 10.491 -7.891 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.187 -7.692 8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.163 -9.284 8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.350 -8.947 6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.053 -9.977 7.460 1.00 0.00 H new ATOM 761 N PRO A 53 7.817 -8.308 6.610 1.00 0.00 N ATOM 762 CA PRO A 53 6.569 -9.066 6.723 1.00 0.00 C ATOM 763 C PRO A 53 6.616 -10.371 5.937 1.00 0.00 C ATOM 764 O PRO A 53 6.577 -10.367 4.706 1.00 0.00 O ATOM 765 CB PRO A 53 5.537 -8.117 6.123 1.00 0.00 C ATOM 766 CG PRO A 53 6.301 -7.329 5.118 1.00 0.00 C ATOM 767 CD PRO A 53 7.691 -7.173 5.678 1.00 0.00 C ATOM 0 HA PRO A 53 6.354 -9.361 7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.716 -8.664 5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.100 -7.472 6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.324 -7.842 4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.837 -6.357 4.950 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.446 -7.213 4.893 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.813 -6.218 6.190 1.00 0.00 H new ATOM 775 N THR A 54 6.700 -11.488 6.654 1.00 0.00 N ATOM 776 CA THR A 54 6.753 -12.799 6.019 1.00 0.00 C ATOM 777 C THR A 54 5.502 -13.051 5.185 1.00 0.00 C ATOM 778 O THR A 54 4.642 -12.179 5.058 1.00 0.00 O ATOM 779 CB THR A 54 6.907 -13.895 7.075 1.00 0.00 C ATOM 780 OG1 THR A 54 6.352 -13.480 8.311 1.00 0.00 O ATOM 781 CG2 THR A 54 8.348 -14.284 7.326 1.00 0.00 C ATOM 0 H THR A 54 6.733 -11.511 7.673 1.00 0.00 H new ATOM 0 HA THR A 54 7.618 -12.819 5.357 1.00 0.00 H new ATOM 0 HB THR A 54 6.378 -14.760 6.675 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.458 -14.194 8.974 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.387 -15.065 8.085 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.791 -14.654 6.401 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.905 -13.413 7.672 1.00 0.00 H new ATOM 789 N LYS A 55 5.404 -14.250 4.618 1.00 0.00 N ATOM 790 CA LYS A 55 4.256 -14.616 3.795 1.00 0.00 C ATOM 791 C LYS A 55 2.954 -14.444 4.571 1.00 0.00 C ATOM 792 O LYS A 55 2.033 -13.768 4.114 1.00 0.00 O ATOM 793 CB LYS A 55 4.387 -16.061 3.311 1.00 0.00 C ATOM 794 CG LYS A 55 3.348 -16.449 2.271 1.00 0.00 C ATOM 795 CD LYS A 55 3.913 -16.375 0.862 1.00 0.00 C ATOM 796 CE LYS A 55 3.835 -14.963 0.301 1.00 0.00 C ATOM 797 NZ LYS A 55 5.178 -14.328 0.208 1.00 0.00 N ATOM 0 H LYS A 55 6.106 -14.984 4.713 1.00 0.00 H new ATOM 0 HA LYS A 55 4.234 -13.952 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.382 -16.206 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.301 -16.731 4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.994 -17.461 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.485 -15.788 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.951 -16.708 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.363 -17.056 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.377 -14.990 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.189 -14.356 0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.082 -13.367 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.605 -14.279 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.787 -14.893 -0.417 1.00 0.00 H new ATOM 811 N CYS A 56 2.889 -15.056 5.749 1.00 0.00 N ATOM 812 CA CYS A 56 1.702 -14.967 6.591 1.00 0.00 C ATOM 813 C CYS A 56 1.443 -13.523 7.007 1.00 0.00 C ATOM 814 O CYS A 56 0.296 -13.108 7.170 1.00 0.00 O ATOM 815 CB CYS A 56 1.863 -15.847 7.832 1.00 0.00 C ATOM 816 SG CYS A 56 0.342 -16.061 8.786 1.00 0.00 S ATOM 0 H CYS A 56 3.644 -15.618 6.142 1.00 0.00 H new ATOM 0 HA CYS A 56 0.848 -15.321 6.014 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.228 -16.827 7.525 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.626 -15.411 8.477 1.00 0.00 H new ATOM 0 HG CYS A 56 0.578 -16.821 9.814 1.00 0.00 H new ATOM 822 N GLU A 57 2.519 -12.761 7.177 1.00 0.00 N ATOM 823 CA GLU A 57 2.414 -11.362 7.573 1.00 0.00 C ATOM 824 C GLU A 57 1.606 -10.568 6.553 1.00 0.00 C ATOM 825 O GLU A 57 0.563 -10.000 6.876 1.00 0.00 O ATOM 826 CB GLU A 57 3.807 -10.748 7.725 1.00 0.00 C ATOM 827 CG GLU A 57 3.987 -9.967 9.016 1.00 0.00 C ATOM 828 CD GLU A 57 3.276 -8.628 8.991 1.00 0.00 C ATOM 829 OE1 GLU A 57 2.039 -8.609 9.159 1.00 0.00 O ATOM 830 OE2 GLU A 57 3.957 -7.598 8.804 1.00 0.00 O ATOM 0 H GLU A 57 3.475 -13.090 7.046 1.00 0.00 H new ATOM 0 HA GLU A 57 1.898 -11.319 8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.552 -11.542 7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.998 -10.087 6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.610 -10.559 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.050 -9.806 9.194 1.00 0.00 H new ATOM 837 N LEU A 58 2.097 -10.533 5.319 1.00 0.00 N ATOM 838 CA LEU A 58 1.424 -9.809 4.249 1.00 0.00 C ATOM 839 C LEU A 58 0.073 -10.442 3.935 1.00 0.00 C ATOM 840 O LEU A 58 -0.871 -9.753 3.546 1.00 0.00 O ATOM 841 CB LEU A 58 2.300 -9.782 2.994 1.00 0.00 C ATOM 842 CG LEU A 58 3.752 -9.356 3.229 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.650 -9.893 2.125 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.859 -7.840 3.312 1.00 0.00 C ATOM 0 H LEU A 58 2.959 -10.998 5.036 1.00 0.00 H new ATOM 0 HA LEU A 58 1.254 -8.785 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.296 -10.775 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.850 -9.103 2.270 1.00 0.00 H new ATOM 0 HG LEU A 58 4.083 -9.776 4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.678 -9.581 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.598 -10.982 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.318 -9.502 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.898 -7.557 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.509 -7.399 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.247 -7.477 4.137 1.00 0.00 H new ATOM 856 N ASP A 59 -0.016 -11.757 4.115 1.00 0.00 N ATOM 857 CA ASP A 59 -1.256 -12.481 3.859 1.00 0.00 C ATOM 858 C ASP A 59 -2.361 -12.010 4.792 1.00 0.00 C ATOM 859 O ASP A 59 -3.544 -12.103 4.464 1.00 0.00 O ATOM 860 CB ASP A 59 -1.037 -13.987 4.024 1.00 0.00 C ATOM 861 CG ASP A 59 -2.260 -14.794 3.633 1.00 0.00 C ATOM 862 OD1 ASP A 59 -3.210 -14.862 4.442 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.268 -15.358 2.518 1.00 0.00 O ATOM 0 H ASP A 59 0.755 -12.342 4.437 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.561 -12.278 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.189 -14.297 3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.779 -14.203 5.061 1.00 0.00 H new ATOM 868 N ALA A 60 -1.973 -11.495 5.952 1.00 0.00 N ATOM 869 CA ALA A 60 -2.939 -11.005 6.919 1.00 0.00 C ATOM 870 C ALA A 60 -3.469 -9.637 6.505 1.00 0.00 C ATOM 871 O ALA A 60 -4.615 -9.290 6.792 1.00 0.00 O ATOM 872 CB ALA A 60 -2.320 -10.941 8.308 1.00 0.00 C ATOM 0 H ALA A 60 -0.999 -11.407 6.243 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.777 -11.701 6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.059 -10.572 9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.995 -11.937 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.462 -10.268 8.294 1.00 0.00 H new ATOM 878 N ILE A 61 -2.631 -8.869 5.817 1.00 0.00 N ATOM 879 CA ILE A 61 -3.015 -7.548 5.350 1.00 0.00 C ATOM 880 C ILE A 61 -3.789 -7.653 4.039 1.00 0.00 C ATOM 881 O ILE A 61 -4.940 -7.228 3.956 1.00 0.00 O ATOM 882 CB ILE A 61 -1.774 -6.640 5.163 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.285 -6.131 6.520 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.084 -5.471 4.240 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.906 -7.236 7.480 1.00 0.00 C ATOM 0 H ILE A 61 -1.680 -9.142 5.571 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.657 -7.097 6.107 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.985 -7.233 4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.422 -5.483 6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.066 -5.520 6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.195 -4.851 4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.389 -5.849 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.891 -4.875 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.569 -6.801 8.421 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.772 -7.871 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.103 -7.834 7.048 1.00 0.00 H new ATOM 897 N ILE A 62 -3.152 -8.230 3.019 1.00 0.00 N ATOM 898 CA ILE A 62 -3.784 -8.401 1.711 1.00 0.00 C ATOM 899 C ILE A 62 -5.220 -8.898 1.855 1.00 0.00 C ATOM 900 O ILE A 62 -6.125 -8.419 1.171 1.00 0.00 O ATOM 901 CB ILE A 62 -2.994 -9.389 0.828 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.583 -8.854 0.573 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.724 -9.631 -0.488 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.790 -9.684 -0.412 1.00 0.00 C ATOM 0 H ILE A 62 -2.198 -8.587 3.074 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.788 -7.422 1.231 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.915 -10.341 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.653 -7.832 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.043 -8.813 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.152 -10.330 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.710 -10.048 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.832 -8.687 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.199 -9.246 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.689 -10.701 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.308 -9.705 -1.371 1.00 0.00 H new ATOM 916 N CYS A 63 -5.421 -9.857 2.754 1.00 0.00 N ATOM 917 CA CYS A 63 -6.747 -10.412 2.992 1.00 0.00 C ATOM 918 C CYS A 63 -7.720 -9.310 3.395 1.00 0.00 C ATOM 919 O CYS A 63 -8.818 -9.208 2.850 1.00 0.00 O ATOM 920 CB CYS A 63 -6.683 -11.486 4.080 1.00 0.00 C ATOM 921 SG CYS A 63 -7.989 -12.732 3.963 1.00 0.00 S ATOM 0 H CYS A 63 -4.683 -10.265 3.328 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.103 -10.869 2.069 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.715 -11.984 4.028 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.742 -11.004 5.056 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.850 -13.598 4.923 1.00 0.00 H new ATOM 927 N GLU A 64 -7.300 -8.476 4.342 1.00 0.00 N ATOM 928 CA GLU A 64 -8.127 -7.367 4.802 1.00 0.00 C ATOM 929 C GLU A 64 -8.171 -6.276 3.740 1.00 0.00 C ATOM 930 O GLU A 64 -9.180 -5.589 3.576 1.00 0.00 O ATOM 931 CB GLU A 64 -7.582 -6.804 6.116 1.00 0.00 C ATOM 932 CG GLU A 64 -8.263 -7.372 7.351 1.00 0.00 C ATOM 933 CD GLU A 64 -9.264 -6.410 7.960 1.00 0.00 C ATOM 934 OE1 GLU A 64 -9.029 -5.185 7.888 1.00 0.00 O ATOM 935 OE2 GLU A 64 -10.283 -6.881 8.508 1.00 0.00 O ATOM 0 H GLU A 64 -6.394 -8.547 4.804 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.139 -7.733 4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.513 -7.010 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.699 -5.720 6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.771 -8.300 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.507 -7.623 8.095 1.00 0.00 H new ATOM 942 N VAL A 65 -7.068 -6.136 3.010 1.00 0.00 N ATOM 943 CA VAL A 65 -6.968 -5.145 1.948 1.00 0.00 C ATOM 944 C VAL A 65 -7.977 -5.445 0.847 1.00 0.00 C ATOM 945 O VAL A 65 -8.748 -4.577 0.437 1.00 0.00 O ATOM 946 CB VAL A 65 -5.546 -5.127 1.339 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.507 -4.296 0.064 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.532 -4.610 2.352 1.00 0.00 C ATOM 0 H VAL A 65 -6.228 -6.700 3.137 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.180 -4.169 2.384 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.279 -6.151 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.496 -4.301 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.194 -4.720 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.803 -3.271 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.539 -4.606 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.800 -3.596 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.531 -5.258 3.229 1.00 0.00 H new ATOM 958 N ASP A 66 -7.958 -6.683 0.369 1.00 0.00 N ATOM 959 CA ASP A 66 -8.860 -7.115 -0.689 1.00 0.00 C ATOM 960 C ASP A 66 -10.276 -7.314 -0.158 1.00 0.00 C ATOM 961 O ASP A 66 -10.512 -8.154 0.711 1.00 0.00 O ATOM 962 CB ASP A 66 -8.348 -8.413 -1.312 1.00 0.00 C ATOM 963 CG ASP A 66 -7.201 -8.174 -2.274 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.120 -7.750 -1.815 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.384 -8.411 -3.487 1.00 0.00 O ATOM 0 H ASP A 66 -7.323 -7.409 0.701 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.890 -6.335 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.022 -9.089 -0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.164 -8.908 -1.838 1.00 0.00 H new ATOM 970 N GLU A 67 -11.213 -6.540 -0.691 1.00 0.00 N ATOM 971 CA GLU A 67 -12.608 -6.633 -0.278 1.00 0.00 C ATOM 972 C GLU A 67 -13.361 -7.645 -1.135 1.00 0.00 C ATOM 973 O GLU A 67 -14.376 -8.198 -0.710 1.00 0.00 O ATOM 974 CB GLU A 67 -13.282 -5.263 -0.373 1.00 0.00 C ATOM 975 CG GLU A 67 -13.354 -4.717 -1.791 1.00 0.00 C ATOM 976 CD GLU A 67 -12.170 -3.834 -2.135 1.00 0.00 C ATOM 977 OE1 GLU A 67 -11.078 -4.380 -2.399 1.00 0.00 O ATOM 978 OE2 GLU A 67 -12.335 -2.596 -2.140 1.00 0.00 O ATOM 0 H GLU A 67 -11.032 -5.840 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.634 -6.971 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.292 -5.335 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.738 -4.555 0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.400 -5.548 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.275 -4.147 -1.911 1.00 0.00 H new ATOM 985 N ASP A 68 -12.859 -7.883 -2.344 1.00 0.00 N ATOM 986 CA ASP A 68 -13.487 -8.829 -3.259 1.00 0.00 C ATOM 987 C ASP A 68 -12.763 -10.174 -3.249 1.00 0.00 C ATOM 988 O ASP A 68 -12.897 -10.966 -4.182 1.00 0.00 O ATOM 989 CB ASP A 68 -13.503 -8.257 -4.679 1.00 0.00 C ATOM 990 CG ASP A 68 -12.113 -7.915 -5.181 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.345 -7.283 -4.424 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.791 -8.280 -6.332 1.00 0.00 O ATOM 0 H ASP A 68 -12.020 -7.434 -2.711 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.511 -8.991 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.962 -8.980 -5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.124 -7.362 -4.700 1.00 0.00 H new ATOM 997 N GLY A 69 -11.998 -10.431 -2.189 1.00 0.00 N ATOM 998 CA GLY A 69 -11.269 -11.684 -2.081 1.00 0.00 C ATOM 999 C GLY A 69 -10.490 -12.018 -3.339 1.00 0.00 C ATOM 1000 O GLY A 69 -10.709 -13.062 -3.954 1.00 0.00 O ATOM 0 H GLY A 69 -11.870 -9.793 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.582 -11.628 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.970 -12.491 -1.868 1.00 0.00 H new ATOM 1004 N SER A 70 -9.582 -11.128 -3.725 1.00 0.00 N ATOM 1005 CA SER A 70 -8.771 -11.329 -4.921 1.00 0.00 C ATOM 1006 C SER A 70 -7.297 -11.511 -4.569 1.00 0.00 C ATOM 1007 O SER A 70 -6.535 -12.097 -5.339 1.00 0.00 O ATOM 1008 CB SER A 70 -8.927 -10.141 -5.871 1.00 0.00 C ATOM 1009 OG SER A 70 -9.153 -8.939 -5.154 1.00 0.00 O ATOM 0 H SER A 70 -9.389 -10.259 -3.227 1.00 0.00 H new ATOM 0 HA SER A 70 -9.122 -12.237 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.030 -10.040 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.758 -10.323 -6.552 1.00 0.00 H new ATOM 0 HG SER A 70 -8.304 -8.609 -4.793 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.897 -10.995 -3.411 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.510 -11.104 -2.994 1.00 0.00 C ATOM 1017 C GLY A 71 -4.610 -10.116 -3.715 1.00 0.00 C ATOM 1018 O GLY A 71 -3.398 -10.102 -3.499 1.00 0.00 O ATOM 0 H GLY A 71 -7.506 -10.505 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.442 -10.936 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.156 -12.118 -3.181 1.00 0.00 H new ATOM 1022 N THR A 72 -5.201 -9.286 -4.574 1.00 0.00 N ATOM 1023 CA THR A 72 -4.441 -8.294 -5.324 1.00 0.00 C ATOM 1024 C THR A 72 -4.814 -6.881 -4.886 1.00 0.00 C ATOM 1025 O THR A 72 -5.940 -6.631 -4.451 1.00 0.00 O ATOM 1026 CB THR A 72 -4.685 -8.459 -6.825 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.930 -7.893 -7.196 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.684 -9.904 -7.277 1.00 0.00 C ATOM 0 H THR A 72 -6.203 -9.283 -4.766 1.00 0.00 H new ATOM 0 HA THR A 72 -3.382 -8.452 -5.119 1.00 0.00 H new ATOM 0 HB THR A 72 -3.856 -7.943 -7.310 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.067 -8.007 -8.160 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.863 -9.949 -8.351 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.718 -10.355 -7.050 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.471 -10.449 -6.755 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.860 -5.964 -4.996 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.081 -4.577 -4.604 1.00 0.00 C ATOM 1038 C ILE A 73 -4.189 -3.662 -5.821 1.00 0.00 C ATOM 1039 O ILE A 73 -3.263 -3.569 -6.626 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.938 -4.072 -3.704 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.720 -5.031 -2.530 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.236 -2.667 -3.201 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.461 -4.740 -1.742 1.00 0.00 C ATOM 0 H ILE A 73 -2.924 -6.156 -5.354 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.021 -4.550 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.022 -4.036 -4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.579 -4.976 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.675 -6.052 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.418 -2.326 -2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.342 -1.992 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.162 -2.675 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.369 -5.457 -0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.594 -4.823 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.512 -3.730 -1.334 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.325 -2.982 -5.946 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.552 -2.069 -7.061 1.00 0.00 C ATOM 1057 C ASP A 74 -4.710 -0.805 -6.909 1.00 0.00 C ATOM 1058 O ASP A 74 -3.843 -0.725 -6.039 1.00 0.00 O ATOM 1059 CB ASP A 74 -7.037 -1.704 -7.154 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.720 -2.365 -8.335 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.060 -2.541 -9.381 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.916 -2.706 -8.214 1.00 0.00 O ATOM 0 H ASP A 74 -6.102 -3.046 -5.289 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.252 -2.573 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.540 -2.001 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.138 -0.622 -7.238 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.972 0.182 -7.763 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.238 1.442 -7.723 1.00 0.00 C ATOM 1069 C PHE A 75 -4.453 2.156 -6.391 1.00 0.00 C ATOM 1070 O PHE A 75 -3.570 2.174 -5.535 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.670 2.345 -8.881 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.521 2.858 -9.702 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -2.722 3.886 -9.232 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -3.241 2.310 -10.944 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -1.664 4.360 -9.985 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.185 2.779 -11.701 1.00 0.00 C ATOM 1077 CZ PHE A 75 -1.395 3.805 -11.220 1.00 0.00 C ATOM 0 H PHE A 75 -5.686 0.133 -8.490 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.176 1.220 -7.825 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.350 1.792 -9.528 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.228 3.192 -8.482 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.928 4.323 -8.266 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.855 1.507 -11.324 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.049 5.163 -9.608 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.977 2.344 -12.668 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.568 4.172 -11.809 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.635 2.743 -6.224 1.00 0.00 N ATOM 1088 CA GLU A 76 -5.966 3.455 -4.995 1.00 0.00 C ATOM 1089 C GLU A 76 -6.059 2.494 -3.817 1.00 0.00 C ATOM 1090 O GLU A 76 -5.865 2.887 -2.667 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.287 4.208 -5.156 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.185 5.438 -6.041 1.00 0.00 C ATOM 1093 CD GLU A 76 -8.298 6.434 -5.787 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -8.224 7.164 -4.776 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -9.248 6.484 -6.598 1.00 0.00 O ATOM 0 H GLU A 76 -6.378 2.739 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.169 4.171 -4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.032 3.531 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.646 4.508 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.223 5.923 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.209 5.131 -7.087 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.357 1.230 -4.109 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.475 0.214 -3.069 1.00 0.00 C ATOM 1104 C GLU A 77 -5.233 0.194 -2.181 1.00 0.00 C ATOM 1105 O GLU A 77 -5.303 -0.200 -1.018 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.701 -1.166 -3.693 1.00 0.00 C ATOM 1107 CG GLU A 77 -8.074 -1.747 -3.394 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.232 -3.165 -3.911 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.252 -3.936 -3.845 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -9.339 -3.504 -4.381 1.00 0.00 O ATOM 0 H GLU A 77 -6.521 0.887 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.335 0.465 -2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.573 -1.093 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.937 -1.852 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.243 -1.736 -2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.839 -1.113 -3.843 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.101 0.627 -2.735 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.847 0.663 -1.988 1.00 0.00 C ATOM 1119 C PHE A 78 -2.935 1.634 -0.811 1.00 0.00 C ATOM 1120 O PHE A 78 -2.105 1.594 0.098 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.688 1.057 -2.904 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.339 0.760 -2.315 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.002 -0.533 -1.952 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.585 1.773 -2.120 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.239 -0.809 -1.403 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.824 1.502 -1.572 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.151 0.210 -1.213 1.00 0.00 C ATOM 0 H PHE A 78 -4.028 0.957 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.665 -0.337 -1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.787 0.528 -3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.754 2.122 -3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.707 -1.334 -2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.334 2.786 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.493 -1.821 -1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.536 2.300 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.119 -0.004 -0.784 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.947 2.493 -0.820 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.143 3.447 0.260 1.00 0.00 C ATOM 1139 C LEU A 79 -5.132 2.887 1.275 1.00 0.00 C ATOM 1140 O LEU A 79 -4.915 2.971 2.483 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.645 4.785 -0.287 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.707 5.471 -1.285 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.254 5.352 -2.701 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.501 6.933 -0.911 1.00 0.00 C ATOM 0 H LEU A 79 -4.643 2.547 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.186 3.616 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.609 4.624 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.817 5.461 0.551 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.740 4.969 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.575 5.845 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.346 4.299 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.234 5.826 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.832 7.402 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.461 7.449 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.062 6.995 0.085 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.214 2.300 0.769 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.235 1.710 1.626 1.00 0.00 C ATOM 1158 C VAL A 80 -6.656 0.558 2.436 1.00 0.00 C ATOM 1159 O VAL A 80 -7.043 0.335 3.583 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.434 1.196 0.806 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -9.509 0.631 1.722 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -8.998 2.307 -0.061 1.00 0.00 C ATOM 0 H VAL A 80 -6.405 2.221 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.581 2.494 2.299 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.087 0.394 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.347 0.274 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.097 -0.196 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.855 1.410 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.844 1.928 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.328 3.130 0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.227 2.662 -0.745 1.00 0.00 H new ATOM 1172 N MET A 81 -5.720 -0.168 1.831 1.00 0.00 N ATOM 1173 CA MET A 81 -5.078 -1.296 2.496 1.00 0.00 C ATOM 1174 C MET A 81 -4.584 -0.892 3.876 1.00 0.00 C ATOM 1175 O MET A 81 -4.712 -1.640 4.845 1.00 0.00 O ATOM 1176 CB MET A 81 -3.901 -1.808 1.663 1.00 0.00 C ATOM 1177 CG MET A 81 -3.106 -0.717 0.980 1.00 0.00 C ATOM 1178 SD MET A 81 -1.356 -1.116 0.846 1.00 0.00 S ATOM 1179 CE MET A 81 -0.885 -1.081 2.569 1.00 0.00 C ATOM 0 H MET A 81 -5.390 0.005 0.882 1.00 0.00 H new ATOM 0 HA MET A 81 -5.816 -2.091 2.601 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.234 -2.379 2.309 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.278 -2.496 0.906 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.513 -0.546 -0.016 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.221 0.214 1.536 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.093 -0.611 2.669 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.621 -0.511 3.136 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.840 -2.100 2.955 1.00 0.00 H new ATOM 1189 N MET A 82 -4.017 0.303 3.948 1.00 0.00 N ATOM 1190 CA MET A 82 -3.492 0.831 5.194 1.00 0.00 C ATOM 1191 C MET A 82 -4.548 1.647 5.935 1.00 0.00 C ATOM 1192 O MET A 82 -4.531 1.727 7.164 1.00 0.00 O ATOM 1193 CB MET A 82 -2.255 1.678 4.917 1.00 0.00 C ATOM 1194 CG MET A 82 -0.958 0.935 5.193 1.00 0.00 C ATOM 1195 SD MET A 82 0.199 1.905 6.169 1.00 0.00 S ATOM 1196 CE MET A 82 0.299 3.373 5.154 1.00 0.00 C ATOM 0 H MET A 82 -3.909 0.929 3.150 1.00 0.00 H new ATOM 0 HA MET A 82 -3.213 -0.006 5.833 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.268 2.002 3.876 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.291 2.577 5.532 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.180 0.006 5.717 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.491 0.663 4.247 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.570 4.227 5.775 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.056 3.231 4.382 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.667 3.557 4.685 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.478 2.241 5.187 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.544 3.031 5.792 1.00 0.00 C ATOM 1208 C VAL A 83 -7.367 2.168 6.743 1.00 0.00 C ATOM 1209 O VAL A 83 -7.715 2.594 7.843 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.474 3.642 4.720 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.624 4.405 5.366 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.689 4.548 3.781 1.00 0.00 C ATOM 0 H VAL A 83 -5.513 2.189 4.169 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.075 3.844 6.346 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.897 2.825 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.264 4.825 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.207 3.726 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.225 5.210 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.362 4.968 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.232 5.356 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.910 3.970 3.284 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.665 0.946 6.311 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.438 0.013 7.122 1.00 0.00 C ATOM 1224 C ARG A 84 -7.669 -0.372 8.383 1.00 0.00 C ATOM 1225 O ARG A 84 -8.264 -0.724 9.401 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.775 -1.242 6.314 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.505 -0.948 5.013 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.565 -1.998 4.717 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.791 -1.404 4.192 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.970 -2.022 4.184 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -13.086 -3.252 4.670 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -14.036 -1.410 3.688 1.00 0.00 N ATOM 0 H ARG A 84 -7.382 0.579 5.402 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.365 0.506 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.853 -1.779 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.389 -1.904 6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.972 0.035 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.788 -0.912 4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.173 -2.716 3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.792 -2.552 5.628 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.741 -0.460 3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.269 -3.728 5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.992 -3.720 4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.953 -0.465 3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.939 -1.884 3.682 1.00 0.00 H new ATOM 1246 N GLN A 85 -6.343 -0.293 8.310 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.493 -0.624 9.450 1.00 0.00 C ATOM 1248 C GLN A 85 -4.975 0.646 10.121 1.00 0.00 C ATOM 1249 O GLN A 85 -4.058 0.596 10.942 1.00 0.00 O ATOM 1250 CB GLN A 85 -4.314 -1.495 9.006 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.679 -2.534 7.955 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.864 -3.387 8.365 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -6.050 -3.686 9.545 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -6.673 -3.783 7.390 1.00 0.00 N ATOM 0 H GLN A 85 -5.834 -0.003 7.475 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.093 -1.182 10.169 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.528 -0.852 8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.901 -2.003 9.878 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.906 -2.031 7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.819 -3.178 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.481 -3.512 6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.487 -4.359 7.605 1.00 0.00 H new ATOM 1263 N MET A 86 -5.565 1.783 9.763 1.00 0.00 N ATOM 1264 CA MET A 86 -5.166 3.066 10.323 1.00 0.00 C ATOM 1265 C MET A 86 -6.306 3.686 11.124 1.00 0.00 C ATOM 1266 O MET A 86 -6.084 4.299 12.167 1.00 0.00 O ATOM 1267 CB MET A 86 -4.736 4.013 9.200 1.00 0.00 C ATOM 1268 CG MET A 86 -3.237 4.017 8.950 1.00 0.00 C ATOM 1269 SD MET A 86 -2.681 5.497 8.081 1.00 0.00 S ATOM 1270 CE MET A 86 -2.039 4.783 6.568 1.00 0.00 C ATOM 0 H MET A 86 -6.324 1.839 9.084 1.00 0.00 H new ATOM 0 HA MET A 86 -4.325 2.903 10.997 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.249 3.730 8.281 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.058 5.025 9.446 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.713 3.942 9.903 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.967 3.136 8.368 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.384 5.502 6.076 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.476 3.880 6.802 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.866 4.533 5.904 1.00 0.00 H new ATOM 1280 N LYS A 87 -7.530 3.520 10.628 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.708 4.060 11.297 1.00 0.00 C ATOM 1282 C LYS A 87 -8.814 3.532 12.724 1.00 0.00 C ATOM 1283 O LYS A 87 -8.664 4.284 13.687 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.974 3.701 10.515 1.00 0.00 C ATOM 1285 CG LYS A 87 -10.422 4.789 9.551 1.00 0.00 C ATOM 1286 CD LYS A 87 -10.472 4.282 8.118 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.826 3.678 7.787 1.00 0.00 C ATOM 1288 NZ LYS A 87 -11.833 2.196 7.950 1.00 0.00 N ATOM 0 H LYS A 87 -7.731 3.015 9.765 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.607 5.145 11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.798 2.782 9.956 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.780 3.496 11.219 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.407 5.152 9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.739 5.636 9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.262 5.103 7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.693 3.535 7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.586 4.117 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.095 3.931 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.776 1.825 7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.126 1.774 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.602 1.954 8.935 1.00 0.00 H new ATOM 1384 N SER B 117 1.777 2.856 10.134 1.00 0.00 N ATOM 1385 CA SER B 117 2.982 3.559 9.713 1.00 0.00 C ATOM 1386 C SER B 117 3.214 3.374 8.214 1.00 0.00 C ATOM 1387 O SER B 117 2.477 3.928 7.399 1.00 0.00 O ATOM 1388 CB SER B 117 4.189 3.078 10.521 1.00 0.00 C ATOM 1389 OG SER B 117 4.046 3.398 11.894 1.00 0.00 O ATOM 0 HA SER B 117 2.850 4.624 9.903 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.301 2.000 10.406 1.00 0.00 H new ATOM 0 HB3 SER B 117 5.098 3.536 10.131 1.00 0.00 H new ATOM 0 HG SER B 117 3.094 3.468 12.116 1.00 0.00 H new ATOM 1395 N ALA B 118 4.236 2.603 7.844 1.00 0.00 N ATOM 1396 CA ALA B 118 4.544 2.370 6.439 1.00 0.00 C ATOM 1397 C ALA B 118 5.109 3.627 5.780 1.00 0.00 C ATOM 1398 O ALA B 118 5.823 3.540 4.782 1.00 0.00 O ATOM 1399 CB ALA B 118 3.310 1.885 5.695 1.00 0.00 C ATOM 0 H ALA B 118 4.861 2.132 8.498 1.00 0.00 H new ATOM 0 HA ALA B 118 5.308 1.594 6.388 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.560 1.716 4.647 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.960 0.953 6.139 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.524 2.637 5.764 1.00 0.00 H new ATOM 1405 N ASP B 119 4.802 4.798 6.349 1.00 0.00 N ATOM 1406 CA ASP B 119 5.296 6.063 5.817 1.00 0.00 C ATOM 1407 C ASP B 119 6.782 5.956 5.509 1.00 0.00 C ATOM 1408 O ASP B 119 7.285 6.589 4.582 1.00 0.00 O ATOM 1409 CB ASP B 119 5.046 7.195 6.814 1.00 0.00 C ATOM 1410 CG ASP B 119 5.363 8.558 6.233 1.00 0.00 C ATOM 1411 OD1 ASP B 119 6.558 8.841 6.001 1.00 0.00 O ATOM 1412 OD2 ASP B 119 4.418 9.343 6.009 1.00 0.00 O ATOM 0 H ASP B 119 4.214 4.891 7.177 1.00 0.00 H new ATOM 0 HA ASP B 119 4.759 6.286 4.895 1.00 0.00 H new ATOM 0 HB2 ASP B 119 4.003 7.172 7.131 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.654 7.032 7.704 1.00 0.00 H new ATOM 1417 N ALA B 120 7.474 5.131 6.287 1.00 0.00 N ATOM 1418 CA ALA B 120 8.902 4.922 6.084 1.00 0.00 C ATOM 1419 C ALA B 120 9.151 4.304 4.716 1.00 0.00 C ATOM 1420 O ALA B 120 9.807 4.905 3.864 1.00 0.00 O ATOM 1421 CB ALA B 120 9.475 4.043 7.185 1.00 0.00 C ATOM 0 H ALA B 120 7.072 4.599 7.059 1.00 0.00 H new ATOM 0 HA ALA B 120 9.407 5.887 6.125 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.542 3.898 7.017 1.00 0.00 H new ATOM 0 HB2 ALA B 120 9.322 4.524 8.151 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.972 3.076 7.177 1.00 0.00 H new ATOM 1427 N MET B 121 8.605 3.110 4.495 1.00 0.00 N ATOM 1428 CA MET B 121 8.754 2.437 3.212 1.00 0.00 C ATOM 1429 C MET B 121 8.156 3.304 2.116 1.00 0.00 C ATOM 1430 O MET B 121 8.703 3.413 1.018 1.00 0.00 O ATOM 1431 CB MET B 121 8.064 1.070 3.232 1.00 0.00 C ATOM 1432 CG MET B 121 8.028 0.382 1.873 1.00 0.00 C ATOM 1433 SD MET B 121 6.502 -0.539 1.598 1.00 0.00 S ATOM 1434 CE MET B 121 5.296 0.784 1.597 1.00 0.00 C ATOM 0 H MET B 121 8.059 2.593 5.185 1.00 0.00 H new ATOM 0 HA MET B 121 9.815 2.280 3.018 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.578 0.424 3.943 1.00 0.00 H new ATOM 0 HB3 MET B 121 7.043 1.193 3.594 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.142 1.130 1.089 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.877 -0.297 1.792 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.523 0.571 0.859 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.842 0.863 2.585 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.788 1.724 1.347 1.00 0.00 H new ATOM 1444 N LEU B 122 7.030 3.930 2.434 1.00 0.00 N ATOM 1445 CA LEU B 122 6.353 4.804 1.492 1.00 0.00 C ATOM 1446 C LEU B 122 7.262 5.971 1.124 1.00 0.00 C ATOM 1447 O LEU B 122 7.318 6.387 -0.032 1.00 0.00 O ATOM 1448 CB LEU B 122 5.040 5.319 2.094 1.00 0.00 C ATOM 1449 CG LEU B 122 3.831 4.390 1.930 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.971 3.156 2.810 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.545 5.132 2.262 1.00 0.00 C ATOM 0 H LEU B 122 6.568 3.847 3.339 1.00 0.00 H new ATOM 0 HA LEU B 122 6.120 4.240 0.589 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.195 5.501 3.157 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.803 6.280 1.637 1.00 0.00 H new ATOM 0 HG LEU B 122 3.791 4.065 0.890 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.101 2.513 2.676 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.872 2.610 2.531 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.040 3.460 3.855 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.696 4.460 2.141 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.584 5.485 3.292 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.432 5.983 1.591 1.00 0.00 H new ATOM 1463 N ARG B 123 7.981 6.490 2.116 1.00 0.00 N ATOM 1464 CA ARG B 123 8.899 7.602 1.894 1.00 0.00 C ATOM 1465 C ARG B 123 10.302 7.099 1.547 1.00 0.00 C ATOM 1466 O ARG B 123 11.260 7.871 1.540 1.00 0.00 O ATOM 1467 CB ARG B 123 8.960 8.496 3.135 1.00 0.00 C ATOM 1468 CG ARG B 123 9.494 9.891 2.853 1.00 0.00 C ATOM 1469 CD ARG B 123 9.773 10.652 4.139 1.00 0.00 C ATOM 1470 NE ARG B 123 11.038 11.382 4.079 1.00 0.00 N ATOM 1471 CZ ARG B 123 12.229 10.815 4.255 1.00 0.00 C ATOM 1472 NH1 ARG B 123 12.325 9.515 4.503 1.00 0.00 N ATOM 1473 NH2 ARG B 123 13.329 11.553 4.184 1.00 0.00 N ATOM 0 H ARG B 123 7.945 6.158 3.080 1.00 0.00 H new ATOM 0 HA ARG B 123 8.524 8.182 1.051 1.00 0.00 H new ATOM 0 HB2 ARG B 123 7.961 8.578 3.563 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.590 8.019 3.886 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.409 9.819 2.266 1.00 0.00 H new ATOM 0 HG3 ARG B 123 8.772 10.443 2.252 1.00 0.00 H new ATOM 0 HD2 ARG B 123 8.959 11.352 4.330 1.00 0.00 H new ATOM 0 HD3 ARG B 123 9.796 9.954 4.976 1.00 0.00 H new ATOM 0 HE ARG B 123 11.006 12.384 3.891 1.00 0.00 H new ATOM 0 HH11 ARG B 123 11.482 8.943 4.560 1.00 0.00 H new ATOM 0 HH12 ARG B 123 13.241 9.088 4.637 1.00 0.00 H new ATOM 0 HH21 ARG B 123 13.261 12.553 3.995 1.00 0.00 H new ATOM 0 HH22 ARG B 123 14.243 11.120 4.319 1.00 0.00 H new ATOM 1487 N ALA B 124 10.418 5.802 1.270 1.00 0.00 N ATOM 1488 CA ALA B 124 11.706 5.204 0.935 1.00 0.00 C ATOM 1489 C ALA B 124 12.118 5.528 -0.498 1.00 0.00 C ATOM 1490 O ALA B 124 12.944 6.411 -0.735 1.00 0.00 O ATOM 1491 CB ALA B 124 11.657 3.695 1.138 1.00 0.00 C ATOM 0 H ALA B 124 9.636 5.147 1.271 1.00 0.00 H new ATOM 0 HA ALA B 124 12.454 5.631 1.603 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.625 3.262 0.884 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.423 3.475 2.180 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.888 3.266 0.495 1.00 0.00 H new ATOM 1497 N LEU B 125 11.545 4.800 -1.448 1.00 0.00 N ATOM 1498 CA LEU B 125 11.852 4.993 -2.858 1.00 0.00 C ATOM 1499 C LEU B 125 11.260 6.298 -3.383 1.00 0.00 C ATOM 1500 O LEU B 125 11.713 6.831 -4.396 1.00 0.00 O ATOM 1501 CB LEU B 125 11.326 3.809 -3.664 1.00 0.00 C ATOM 1502 CG LEU B 125 11.703 2.440 -3.099 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.687 1.392 -3.516 1.00 0.00 C ATOM 1504 CD2 LEU B 125 13.102 2.048 -3.548 1.00 0.00 C ATOM 0 H LEU B 125 10.861 4.066 -1.265 1.00 0.00 H new ATOM 0 HA LEU B 125 12.935 5.054 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.240 3.878 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.703 3.884 -4.684 1.00 0.00 H new ATOM 0 HG LEU B 125 11.698 2.501 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.973 0.424 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.702 1.670 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.655 1.328 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.355 1.071 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.136 2.004 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.819 2.788 -3.192 1.00 0.00 H new