USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 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 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 MET CE :methyl -167:sc= 0 (180deg=-0.124) USER MOD Set 1.3: A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 36 MET CE :methyl 179:sc= 0 (180deg=-0.0039) USER MOD Set 2.2: A 51 MET CE :methyl -178:sc=-0.00047 (180deg=0) USER MOD Set 3.1: A 28 THR OG1 : rot -62:sc= 1.5 USER MOD Set 3.2: A 30 LYS NZ :NH3+ -163:sc= 0.847 (180deg=-0.305) USER MOD Set 4.1: A 29 THR OG1 : rot -165:sc= 1.12 USER MOD Set 4.2: A 49 GLN : amide:sc= 0.891 K(o=2,f=-0.7) USER MOD Set 4.3: A 53 ASN : amide:sc=-0.00275 K(o=2,f=-0.61!) USER MOD Set 5.1: A 26 THR OG1 : rot 156:sc= 0 USER MOD Set 5.2: A 60 ASN : amide:sc= 1.04 K(o=1.3,f=-5.1!) USER MOD Set 5.3: A 62 THR OG1 : rot -5:sc= 0.275 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0364) USER MOD Single : A 17 SER OG : rot 60:sc= 0.141 USER MOD Single : A 21 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 85:sc= 0.0927 USER MOD Single : A 41 GLN : amide:sc=-0.00239 X(o=-0.0024,f=-0.36) USER MOD Single : A 42 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.691 USER MOD Single : A 71 MET CE :methyl -172:sc= -0.48 (180deg=-0.594) USER MOD Single : A 72 MET CE :methyl -142:sc= -0.183 (180deg=-0.772) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.0513 K(o=0.051,f=-3.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.178 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 110 THR OG1 : rot 64:sc= 0.923 USER MOD Single : A 111 ASN : amide:sc= 0.942 K(o=0.94,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 135 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.704 K(o=-0.7,f=-7.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.16) USER MOD Single : A 144 MET CE :methyl 174:sc= -2.5 (180deg=-2.62) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.818 15.404 0.839 1.00 0.00 N ATOM 59 CA THR A 5 -12.271 16.578 0.159 1.00 0.00 C ATOM 60 C THR A 5 -13.629 16.427 -0.435 1.00 0.00 C ATOM 61 O THR A 5 -13.973 15.303 -0.797 1.00 0.00 O ATOM 62 CB THR A 5 -11.302 17.104 -0.858 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.096 16.152 -1.890 1.00 0.00 O ATOM 64 CG2 THR A 5 -9.941 17.491 -0.254 1.00 0.00 C ATOM 0 HA THR A 5 -12.338 17.327 0.948 1.00 0.00 H new ATOM 0 HB THR A 5 -11.754 18.010 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.463 16.512 -2.545 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.286 17.864 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.084 18.268 0.497 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.487 16.616 0.211 1.00 0.00 H new ATOM 72 N GLU A 6 -14.475 17.456 -0.617 1.00 0.00 N ATOM 73 CA GLU A 6 -15.829 17.338 -1.063 1.00 0.00 C ATOM 74 C GLU A 6 -15.905 16.764 -2.436 1.00 0.00 C ATOM 75 O GLU A 6 -16.689 15.845 -2.672 1.00 0.00 O ATOM 76 CB GLU A 6 -16.532 18.706 -1.112 1.00 0.00 C ATOM 77 CG GLU A 6 -16.640 19.256 0.311 1.00 0.00 C ATOM 78 CD GLU A 6 -17.660 20.382 0.408 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.643 20.460 -0.377 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.426 21.251 1.290 1.00 0.00 O ATOM 0 H GLU A 6 -14.199 18.423 -0.444 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.320 16.682 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.971 19.396 -1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.523 18.605 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.921 18.452 0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.665 19.620 0.634 1.00 0.00 H new ATOM 87 N GLU A 7 -15.019 17.144 -3.374 1.00 0.00 N ATOM 88 CA GLU A 7 -14.728 16.555 -4.644 1.00 0.00 C ATOM 89 C GLU A 7 -14.669 15.066 -4.653 1.00 0.00 C ATOM 90 O GLU A 7 -15.474 14.381 -5.282 1.00 0.00 O ATOM 91 CB GLU A 7 -13.386 17.190 -5.046 1.00 0.00 C ATOM 92 CG GLU A 7 -12.924 16.624 -6.391 1.00 0.00 C ATOM 93 CD GLU A 7 -11.727 17.361 -6.974 1.00 0.00 C ATOM 94 OE1 GLU A 7 -10.740 17.505 -6.204 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.765 17.879 -8.122 1.00 0.00 O ATOM 0 H GLU A 7 -14.437 17.967 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.534 16.753 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.492 18.273 -5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.636 16.991 -4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.669 15.572 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.751 16.670 -7.100 1.00 0.00 H new ATOM 102 N GLN A 8 -13.830 14.510 -3.761 1.00 0.00 N ATOM 103 CA GLN A 8 -13.554 13.129 -3.513 1.00 0.00 C ATOM 104 C GLN A 8 -14.726 12.465 -2.876 1.00 0.00 C ATOM 105 O GLN A 8 -15.110 11.342 -3.199 1.00 0.00 O ATOM 106 CB GLN A 8 -12.244 12.789 -2.783 1.00 0.00 C ATOM 107 CG GLN A 8 -11.057 13.021 -3.720 1.00 0.00 C ATOM 108 CD GLN A 8 -9.680 12.662 -3.182 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.461 11.936 -2.214 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.613 13.201 -3.832 1.00 0.00 N ATOM 0 H GLN A 8 -13.280 15.104 -3.140 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.380 12.721 -4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.142 13.407 -1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.260 11.751 -2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.226 12.448 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.048 14.074 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.760 13.808 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.666 12.998 -3.513 1.00 0.00 H new ATOM 119 N ILE A 9 -15.491 13.125 -1.988 1.00 0.00 N ATOM 120 CA ILE A 9 -16.696 12.538 -1.491 1.00 0.00 C ATOM 121 C ILE A 9 -17.785 12.259 -2.469 1.00 0.00 C ATOM 122 O ILE A 9 -18.590 11.335 -2.358 1.00 0.00 O ATOM 123 CB ILE A 9 -17.129 13.125 -0.180 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.111 13.014 0.968 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.464 12.558 0.331 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.465 13.902 2.160 1.00 0.00 C ATOM 0 H ILE A 9 -15.279 14.052 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.401 11.511 -1.274 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.233 14.179 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.054 11.977 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.122 13.286 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.717 13.025 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.249 12.765 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.373 11.481 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.712 13.782 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.495 14.944 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.441 13.614 2.551 1.00 0.00 H new ATOM 138 N ALA A 10 -17.882 13.060 -3.544 1.00 0.00 N ATOM 139 CA ALA A 10 -18.782 12.875 -4.640 1.00 0.00 C ATOM 140 C ALA A 10 -18.397 11.778 -5.572 1.00 0.00 C ATOM 141 O ALA A 10 -19.215 11.073 -6.161 1.00 0.00 O ATOM 142 CB ALA A 10 -18.929 14.280 -5.247 1.00 0.00 C ATOM 0 H ALA A 10 -17.296 13.888 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.756 12.498 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.606 14.239 -6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.332 14.960 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.953 14.639 -5.575 1.00 0.00 H new ATOM 148 N GLU A 11 -17.080 11.559 -5.734 1.00 0.00 N ATOM 149 CA GLU A 11 -16.606 10.462 -6.520 1.00 0.00 C ATOM 150 C GLU A 11 -16.946 9.161 -5.877 1.00 0.00 C ATOM 151 O GLU A 11 -17.529 8.306 -6.542 1.00 0.00 O ATOM 152 CB GLU A 11 -15.087 10.516 -6.753 1.00 0.00 C ATOM 153 CG GLU A 11 -14.601 11.641 -7.669 1.00 0.00 C ATOM 154 CD GLU A 11 -15.339 11.785 -8.992 1.00 0.00 C ATOM 155 OE1 GLU A 11 -15.754 10.713 -9.507 1.00 0.00 O ATOM 156 OE2 GLU A 11 -15.548 12.936 -9.462 1.00 0.00 O ATOM 0 H GLU A 11 -16.347 12.137 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.105 10.544 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.592 10.618 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.768 9.563 -7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.678 12.584 -7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.544 11.481 -7.880 1.00 0.00 H new ATOM 163 N PHE A 12 -16.575 8.922 -4.606 1.00 0.00 N ATOM 164 CA PHE A 12 -16.929 7.856 -3.722 1.00 0.00 C ATOM 165 C PHE A 12 -18.389 7.656 -3.501 1.00 0.00 C ATOM 166 O PHE A 12 -18.756 6.490 -3.358 1.00 0.00 O ATOM 167 CB PHE A 12 -16.255 7.965 -2.344 1.00 0.00 C ATOM 168 CG PHE A 12 -14.780 8.165 -2.402 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.991 7.607 -3.380 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.171 8.904 -1.414 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.620 7.671 -3.296 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.804 9.052 -1.394 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.007 8.413 -2.314 1.00 0.00 C ATOM 0 H PHE A 12 -15.939 9.569 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.555 6.987 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.702 8.795 -1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.466 7.059 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.453 7.114 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.772 9.372 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.017 7.131 -4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.349 9.681 -0.643 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.931 8.492 -2.267 1.00 0.00 H new ATOM 183 N LYS A 13 -19.235 8.701 -3.540 1.00 0.00 N ATOM 184 CA LYS A 13 -20.653 8.563 -3.654 1.00 0.00 C ATOM 185 C LYS A 13 -21.186 7.864 -4.858 1.00 0.00 C ATOM 186 O LYS A 13 -21.908 6.868 -4.879 1.00 0.00 O ATOM 187 CB LYS A 13 -21.404 9.879 -3.390 1.00 0.00 C ATOM 188 CG LYS A 13 -22.926 9.773 -3.502 1.00 0.00 C ATOM 189 CD LYS A 13 -23.663 10.841 -2.692 1.00 0.00 C ATOM 190 CE LYS A 13 -25.177 10.751 -2.898 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.717 9.544 -2.233 1.00 0.00 N ATOM 0 H LYS A 13 -18.923 9.671 -3.491 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.865 7.862 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.149 10.234 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.052 10.632 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.214 9.857 -4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.241 8.786 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.430 10.722 -1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.312 11.830 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.659 11.642 -2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.404 10.719 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.756 9.558 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.360 8.694 -2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.415 9.531 -1.238 1.00 0.00 H new ATOM 205 N GLU A 14 -20.769 8.349 -6.041 1.00 0.00 N ATOM 206 CA GLU A 14 -21.094 7.773 -7.309 1.00 0.00 C ATOM 207 C GLU A 14 -20.584 6.375 -7.396 1.00 0.00 C ATOM 208 O GLU A 14 -21.206 5.500 -7.997 1.00 0.00 O ATOM 209 CB GLU A 14 -20.401 8.563 -8.431 1.00 0.00 C ATOM 210 CG GLU A 14 -21.048 9.939 -8.599 1.00 0.00 C ATOM 211 CD GLU A 14 -22.284 9.784 -9.474 1.00 0.00 C ATOM 212 OE1 GLU A 14 -23.119 8.861 -9.277 1.00 0.00 O ATOM 213 OE2 GLU A 14 -22.339 10.520 -10.495 1.00 0.00 O ATOM 0 H GLU A 14 -20.180 9.178 -6.117 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.179 7.796 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.342 8.679 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.465 8.008 -9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.320 10.351 -7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.345 10.636 -9.055 1.00 0.00 H new ATOM 220 N ALA A 15 -19.354 6.106 -6.925 1.00 0.00 N ATOM 221 CA ALA A 15 -18.875 4.767 -6.774 1.00 0.00 C ATOM 222 C ALA A 15 -19.627 3.890 -5.832 1.00 0.00 C ATOM 223 O ALA A 15 -19.848 2.708 -6.092 1.00 0.00 O ATOM 224 CB ALA A 15 -17.362 4.761 -6.498 1.00 0.00 C ATOM 0 H ALA A 15 -18.685 6.824 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.072 4.297 -7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.017 3.733 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.838 5.231 -7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.157 5.314 -5.582 1.00 0.00 H new ATOM 230 N PHE A 16 -20.163 4.392 -4.706 1.00 0.00 N ATOM 231 CA PHE A 16 -21.050 3.670 -3.848 1.00 0.00 C ATOM 232 C PHE A 16 -22.298 3.185 -4.502 1.00 0.00 C ATOM 233 O PHE A 16 -22.731 2.036 -4.422 1.00 0.00 O ATOM 234 CB PHE A 16 -21.378 4.583 -2.655 1.00 0.00 C ATOM 235 CG PHE A 16 -21.840 3.838 -1.450 1.00 0.00 C ATOM 236 CD1 PHE A 16 -21.002 3.154 -0.600 1.00 0.00 C ATOM 237 CD2 PHE A 16 -23.193 3.753 -1.225 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.466 2.427 0.471 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.682 2.968 -0.208 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.823 2.377 0.688 1.00 0.00 C ATOM 0 H PHE A 16 -19.971 5.339 -4.380 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.542 2.757 -3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.492 5.164 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.149 5.293 -2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.938 3.189 -0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.877 4.307 -1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.782 1.908 1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.747 2.815 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.213 1.874 1.561 1.00 0.00 H new ATOM 250 N SER A 17 -22.848 4.103 -5.317 1.00 0.00 N ATOM 251 CA SER A 17 -23.918 3.838 -6.229 1.00 0.00 C ATOM 252 C SER A 17 -23.748 2.731 -7.211 1.00 0.00 C ATOM 253 O SER A 17 -24.643 1.954 -7.540 1.00 0.00 O ATOM 254 CB SER A 17 -24.604 5.040 -6.900 1.00 0.00 C ATOM 255 OG SER A 17 -24.767 6.155 -6.035 1.00 0.00 O ATOM 0 H SER A 17 -22.533 5.073 -5.341 1.00 0.00 H new ATOM 0 HA SER A 17 -24.607 3.468 -5.470 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.018 5.345 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.582 4.731 -7.269 1.00 0.00 H new ATOM 0 HG SER A 17 -23.889 6.454 -5.718 1.00 0.00 H new ATOM 261 N LEU A 18 -22.501 2.632 -7.704 1.00 0.00 N ATOM 262 CA LEU A 18 -21.976 1.755 -8.704 1.00 0.00 C ATOM 263 C LEU A 18 -21.631 0.408 -8.168 1.00 0.00 C ATOM 264 O LEU A 18 -21.640 -0.626 -8.834 1.00 0.00 O ATOM 265 CB LEU A 18 -20.833 2.452 -9.461 1.00 0.00 C ATOM 266 CG LEU A 18 -21.222 3.056 -10.820 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.336 4.233 -11.265 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.062 2.029 -11.954 1.00 0.00 C ATOM 0 H LEU A 18 -21.769 3.249 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.758 1.546 -9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.431 3.245 -8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.030 1.732 -9.618 1.00 0.00 H new ATOM 0 HG LEU A 18 -22.250 3.382 -10.663 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.678 4.600 -12.233 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.400 5.035 -10.529 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.302 3.899 -11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.345 2.487 -12.902 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.024 1.702 -12.005 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.704 1.170 -11.760 1.00 0.00 H new ATOM 280 N PHE A 19 -21.340 0.344 -6.857 1.00 0.00 N ATOM 281 CA PHE A 19 -21.196 -0.920 -6.203 1.00 0.00 C ATOM 282 C PHE A 19 -22.507 -1.483 -5.775 1.00 0.00 C ATOM 283 O PHE A 19 -22.833 -2.583 -6.219 1.00 0.00 O ATOM 284 CB PHE A 19 -20.322 -0.650 -4.967 1.00 0.00 C ATOM 285 CG PHE A 19 -18.902 -0.235 -5.143 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.210 -0.484 -6.305 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.315 0.629 -4.250 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.957 0.033 -6.533 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.081 1.205 -4.442 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.436 0.923 -5.623 1.00 0.00 C ATOM 0 H PHE A 19 -21.206 1.157 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.754 -1.650 -6.882 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.817 0.124 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.324 -1.557 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.665 -1.105 -7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.854 0.870 -3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.393 -0.254 -7.408 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.638 1.850 -3.698 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.498 1.412 -5.841 1.00 0.00 H new ATOM 300 N ASP A 20 -23.351 -0.792 -4.988 1.00 0.00 N ATOM 301 CA ASP A 20 -24.680 -1.228 -4.690 1.00 0.00 C ATOM 302 C ASP A 20 -25.479 -1.547 -5.907 1.00 0.00 C ATOM 303 O ASP A 20 -25.546 -0.735 -6.828 1.00 0.00 O ATOM 304 CB ASP A 20 -25.269 -0.034 -3.920 1.00 0.00 C ATOM 305 CG ASP A 20 -26.470 -0.440 -3.078 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.813 -1.652 -3.060 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.123 0.451 -2.472 1.00 0.00 O ATOM 0 H ASP A 20 -23.103 0.094 -4.547 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.691 -2.161 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.502 0.396 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.566 0.742 -4.625 1.00 0.00 H new ATOM 312 N LYS A 21 -26.002 -2.785 -5.954 1.00 0.00 N ATOM 313 CA LYS A 21 -26.698 -3.194 -7.134 1.00 0.00 C ATOM 314 C LYS A 21 -28.160 -2.922 -7.028 1.00 0.00 C ATOM 315 O LYS A 21 -28.764 -2.145 -7.765 1.00 0.00 O ATOM 316 CB LYS A 21 -26.326 -4.670 -7.347 1.00 0.00 C ATOM 317 CG LYS A 21 -26.976 -5.263 -8.599 1.00 0.00 C ATOM 318 CD LYS A 21 -26.257 -6.514 -9.108 1.00 0.00 C ATOM 319 CE LYS A 21 -27.148 -7.215 -10.135 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.356 -8.243 -10.847 1.00 0.00 N ATOM 0 H LYS A 21 -25.948 -3.479 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.405 -2.622 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.243 -4.761 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.631 -5.248 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.015 -5.511 -8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.987 -4.510 -9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.303 -6.243 -9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.037 -7.186 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.002 -7.676 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.546 -6.489 -10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.958 -8.722 -11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.555 -7.790 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.997 -8.940 -10.163 1.00 0.00 H new ATOM 334 N ASP A 22 -28.842 -3.584 -6.076 1.00 0.00 N ATOM 335 CA ASP A 22 -30.221 -3.449 -5.724 1.00 0.00 C ATOM 336 C ASP A 22 -30.505 -2.040 -5.335 1.00 0.00 C ATOM 337 O ASP A 22 -31.447 -1.374 -5.763 1.00 0.00 O ATOM 338 CB ASP A 22 -30.711 -4.336 -4.567 1.00 0.00 C ATOM 339 CG ASP A 22 -29.556 -4.816 -3.700 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.875 -3.953 -3.085 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.278 -6.043 -3.772 1.00 0.00 O ATOM 0 H ASP A 22 -28.378 -4.283 -5.496 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.753 -3.770 -6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.419 -3.778 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.247 -5.196 -4.969 1.00 0.00 H new ATOM 346 N GLY A 23 -29.649 -1.415 -4.507 1.00 0.00 N ATOM 347 CA GLY A 23 -29.727 -0.034 -4.145 1.00 0.00 C ATOM 348 C GLY A 23 -30.493 0.141 -2.879 1.00 0.00 C ATOM 349 O GLY A 23 -31.307 1.061 -2.816 1.00 0.00 O ATOM 0 H GLY A 23 -28.864 -1.897 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.723 0.372 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.206 0.530 -4.946 1.00 0.00 H new ATOM 353 N ASP A 24 -30.313 -0.735 -1.875 1.00 0.00 N ATOM 354 CA ASP A 24 -30.921 -0.662 -0.582 1.00 0.00 C ATOM 355 C ASP A 24 -30.203 0.401 0.177 1.00 0.00 C ATOM 356 O ASP A 24 -30.745 0.907 1.158 1.00 0.00 O ATOM 357 CB ASP A 24 -30.977 -2.027 0.123 1.00 0.00 C ATOM 358 CG ASP A 24 -29.655 -2.751 0.332 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.619 -2.436 -0.314 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.576 -3.759 1.083 1.00 0.00 O ATOM 0 H ASP A 24 -29.703 -1.547 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.973 -0.389 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.444 -1.886 1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.633 -2.679 -0.453 1.00 0.00 H new ATOM 365 N GLY A 25 -28.921 0.655 -0.141 1.00 0.00 N ATOM 366 CA GLY A 25 -28.074 1.605 0.510 1.00 0.00 C ATOM 367 C GLY A 25 -26.859 1.087 1.198 1.00 0.00 C ATOM 368 O GLY A 25 -26.105 1.898 1.734 1.00 0.00 O ATOM 0 H GLY A 25 -28.447 0.166 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.754 2.335 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.674 2.141 1.245 1.00 0.00 H new ATOM 372 N THR A 26 -26.578 -0.228 1.180 1.00 0.00 N ATOM 373 CA THR A 26 -25.329 -0.723 1.670 1.00 0.00 C ATOM 374 C THR A 26 -24.687 -1.623 0.671 1.00 0.00 C ATOM 375 O THR A 26 -25.323 -2.005 -0.311 1.00 0.00 O ATOM 376 CB THR A 26 -25.430 -1.332 3.037 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.230 -2.504 3.097 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.814 -0.353 4.159 1.00 0.00 C ATOM 0 H THR A 26 -27.212 -0.945 0.828 1.00 0.00 H new ATOM 0 HA THR A 26 -24.670 0.135 1.801 1.00 0.00 H new ATOM 0 HB THR A 26 -24.400 -1.632 3.230 1.00 0.00 H new ATOM 0 HG1 THR A 26 -25.954 -3.049 3.863 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.861 -0.887 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.066 0.437 4.224 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.787 0.086 3.941 1.00 0.00 H new ATOM 386 N ILE A 27 -23.422 -2.005 0.921 1.00 0.00 N ATOM 387 CA ILE A 27 -22.607 -2.977 0.262 1.00 0.00 C ATOM 388 C ILE A 27 -22.590 -4.274 0.994 1.00 0.00 C ATOM 389 O ILE A 27 -21.996 -4.275 2.072 1.00 0.00 O ATOM 390 CB ILE A 27 -21.230 -2.505 -0.101 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.168 -0.992 -0.367 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.761 -3.280 -1.345 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.761 -0.523 -0.732 1.00 0.00 C ATOM 0 H ILE A 27 -22.908 -1.572 1.688 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.093 -3.144 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.573 -2.695 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.854 -0.740 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.509 -0.456 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.760 -2.950 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.742 -4.347 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.448 -3.093 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.771 0.552 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.078 -0.749 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.429 -1.037 -1.634 1.00 0.00 H new ATOM 405 N THR A 28 -23.186 -5.358 0.467 1.00 0.00 N ATOM 406 CA THR A 28 -23.108 -6.628 1.119 1.00 0.00 C ATOM 407 C THR A 28 -21.901 -7.395 0.699 1.00 0.00 C ATOM 408 O THR A 28 -21.045 -6.936 -0.055 1.00 0.00 O ATOM 409 CB THR A 28 -24.279 -7.511 0.804 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.566 -7.673 -0.577 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.518 -7.168 1.648 1.00 0.00 C ATOM 0 H THR A 28 -23.718 -5.356 -0.403 1.00 0.00 H new ATOM 0 HA THR A 28 -23.080 -6.387 2.182 1.00 0.00 H new ATOM 0 HB THR A 28 -23.955 -8.506 1.109 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.803 -6.805 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.337 -7.836 1.381 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.282 -7.288 2.705 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.814 -6.137 1.457 1.00 0.00 H new ATOM 419 N THR A 29 -21.618 -8.531 1.361 1.00 0.00 N ATOM 420 CA THR A 29 -20.499 -9.382 1.100 1.00 0.00 C ATOM 421 C THR A 29 -20.423 -9.911 -0.291 1.00 0.00 C ATOM 422 O THR A 29 -19.388 -9.847 -0.953 1.00 0.00 O ATOM 423 CB THR A 29 -20.173 -10.372 2.179 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.620 -9.962 3.463 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.640 -10.368 2.301 1.00 0.00 C ATOM 0 H THR A 29 -22.204 -8.875 2.122 1.00 0.00 H new ATOM 0 HA THR A 29 -19.656 -8.694 1.152 1.00 0.00 H new ATOM 0 HB THR A 29 -20.637 -11.322 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.184 -10.507 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.335 -11.072 3.075 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.198 -10.661 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.299 -9.367 2.566 1.00 0.00 H new ATOM 433 N LYS A 30 -21.519 -10.346 -0.936 1.00 0.00 N ATOM 434 CA LYS A 30 -21.658 -10.774 -2.294 1.00 0.00 C ATOM 435 C LYS A 30 -21.456 -9.642 -3.240 1.00 0.00 C ATOM 436 O LYS A 30 -20.807 -9.783 -4.276 1.00 0.00 O ATOM 437 CB LYS A 30 -23.026 -11.448 -2.490 1.00 0.00 C ATOM 438 CG LYS A 30 -24.252 -10.540 -2.369 1.00 0.00 C ATOM 439 CD LYS A 30 -25.520 -11.386 -2.235 1.00 0.00 C ATOM 440 CE LYS A 30 -26.656 -10.368 -2.113 1.00 0.00 C ATOM 441 NZ LYS A 30 -26.673 -9.679 -0.803 1.00 0.00 N ATOM 0 H LYS A 30 -22.411 -10.403 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.882 -11.507 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.040 -11.913 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.120 -12.250 -1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -24.147 -9.888 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.326 -9.896 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.659 -12.032 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.473 -12.034 -1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.560 -9.627 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.609 -10.875 -2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.599 -9.229 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.503 -10.370 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.929 -8.953 -0.783 1.00 0.00 H new ATOM 455 N GLU A 31 -21.906 -8.432 -2.862 1.00 0.00 N ATOM 456 CA GLU A 31 -21.697 -7.310 -3.722 1.00 0.00 C ATOM 457 C GLU A 31 -20.266 -6.896 -3.682 1.00 0.00 C ATOM 458 O GLU A 31 -19.759 -6.781 -4.797 1.00 0.00 O ATOM 459 CB GLU A 31 -22.518 -6.094 -3.260 1.00 0.00 C ATOM 460 CG GLU A 31 -23.995 -6.109 -3.657 1.00 0.00 C ATOM 461 CD GLU A 31 -24.881 -5.157 -2.865 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.802 -5.077 -1.610 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.643 -4.405 -3.528 1.00 0.00 O ATOM 0 H GLU A 31 -22.398 -8.233 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.999 -7.615 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.452 -6.024 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.060 -5.192 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.074 -5.860 -4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.378 -7.123 -3.538 1.00 0.00 H new ATOM 470 N LEU A 32 -19.521 -6.699 -2.580 1.00 0.00 N ATOM 471 CA LEU A 32 -18.110 -6.467 -2.565 1.00 0.00 C ATOM 472 C LEU A 32 -17.297 -7.517 -3.240 1.00 0.00 C ATOM 473 O LEU A 32 -16.267 -7.326 -3.886 1.00 0.00 O ATOM 474 CB LEU A 32 -17.801 -6.209 -1.080 1.00 0.00 C ATOM 475 CG LEU A 32 -16.484 -5.549 -0.639 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.225 -4.111 -1.119 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.376 -5.729 0.884 1.00 0.00 C ATOM 0 H LEU A 32 -19.928 -6.702 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.817 -5.614 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.611 -5.593 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.859 -7.172 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.671 -6.060 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.264 -3.768 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.212 -4.088 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.016 -3.457 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.452 -5.273 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.227 -5.250 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.373 -6.792 1.125 1.00 0.00 H new ATOM 489 N GLY A 33 -17.797 -8.757 -3.391 1.00 0.00 N ATOM 490 CA GLY A 33 -17.339 -9.788 -4.269 1.00 0.00 C ATOM 491 C GLY A 33 -17.384 -9.531 -5.736 1.00 0.00 C ATOM 492 O GLY A 33 -16.456 -9.870 -6.470 1.00 0.00 O ATOM 0 H GLY A 33 -18.601 -9.064 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.308 -10.019 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.928 -10.683 -4.069 1.00 0.00 H new ATOM 496 N THR A 34 -18.519 -8.955 -6.173 1.00 0.00 N ATOM 497 CA THR A 34 -18.612 -8.463 -7.512 1.00 0.00 C ATOM 498 C THR A 34 -17.628 -7.403 -7.872 1.00 0.00 C ATOM 499 O THR A 34 -17.150 -7.436 -9.005 1.00 0.00 O ATOM 500 CB THR A 34 -20.013 -8.069 -7.874 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.783 -9.254 -8.020 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.265 -7.277 -9.168 1.00 0.00 C ATOM 0 H THR A 34 -19.360 -8.831 -5.609 1.00 0.00 H new ATOM 0 HA THR A 34 -18.329 -9.317 -8.127 1.00 0.00 H new ATOM 0 HB THR A 34 -20.278 -7.395 -7.060 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.705 -9.018 -8.255 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.332 -7.078 -9.271 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.722 -6.333 -9.128 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.920 -7.858 -10.023 1.00 0.00 H new ATOM 510 N VAL A 35 -17.329 -6.421 -7.003 1.00 0.00 N ATOM 511 CA VAL A 35 -16.299 -5.445 -7.188 1.00 0.00 C ATOM 512 C VAL A 35 -14.984 -6.056 -7.532 1.00 0.00 C ATOM 513 O VAL A 35 -14.384 -5.622 -8.514 1.00 0.00 O ATOM 514 CB VAL A 35 -16.086 -4.572 -5.987 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.068 -3.471 -6.330 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.413 -3.925 -5.555 1.00 0.00 C ATOM 0 H VAL A 35 -17.833 -6.301 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.661 -4.839 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.708 -5.183 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.912 -2.835 -5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.122 -3.928 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.448 -2.868 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.243 -3.294 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.804 -3.318 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.133 -4.704 -5.305 1.00 0.00 H new ATOM 526 N MET A 36 -14.500 -7.092 -6.823 1.00 0.00 N ATOM 527 CA MET A 36 -13.144 -7.499 -7.024 1.00 0.00 C ATOM 528 C MET A 36 -13.044 -8.459 -8.159 1.00 0.00 C ATOM 529 O MET A 36 -12.071 -8.444 -8.911 1.00 0.00 O ATOM 530 CB MET A 36 -12.695 -8.083 -5.674 1.00 0.00 C ATOM 531 CG MET A 36 -12.725 -7.065 -4.533 1.00 0.00 C ATOM 532 SD MET A 36 -11.633 -5.628 -4.754 1.00 0.00 S ATOM 533 CE MET A 36 -12.395 -4.780 -3.341 1.00 0.00 C ATOM 0 H MET A 36 -15.025 -7.631 -6.134 1.00 0.00 H new ATOM 0 HA MET A 36 -12.488 -6.676 -7.309 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.339 -8.924 -5.418 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.683 -8.476 -5.775 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.748 -6.709 -4.411 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.451 -7.571 -3.607 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.909 -3.816 -3.190 1.00 0.00 H new ATOM 0 HE2 MET A 36 -13.456 -4.624 -3.539 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.279 -5.390 -2.445 1.00 0.00 H new ATOM 543 N ARG A 37 -14.085 -9.239 -8.501 1.00 0.00 N ATOM 544 CA ARG A 37 -14.343 -10.116 -9.600 1.00 0.00 C ATOM 545 C ARG A 37 -14.344 -9.318 -10.859 1.00 0.00 C ATOM 546 O ARG A 37 -13.683 -9.652 -11.841 1.00 0.00 O ATOM 547 CB ARG A 37 -15.553 -11.052 -9.438 1.00 0.00 C ATOM 548 CG ARG A 37 -15.242 -12.173 -8.445 1.00 0.00 C ATOM 549 CD ARG A 37 -14.240 -13.245 -8.877 1.00 0.00 C ATOM 550 NE ARG A 37 -14.682 -13.887 -10.148 1.00 0.00 N ATOM 551 CZ ARG A 37 -13.932 -14.018 -11.281 1.00 0.00 C ATOM 552 NH1 ARG A 37 -12.660 -13.537 -11.404 1.00 0.00 N ATOM 553 NH2 ARG A 37 -14.555 -14.427 -12.424 1.00 0.00 N ATOM 0 H ARG A 37 -14.894 -9.248 -7.880 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.530 -10.840 -9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.416 -10.482 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.820 -11.480 -10.404 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.870 -11.716 -7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.179 -12.670 -8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.255 -12.798 -9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.144 -13.999 -8.095 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.630 -14.262 -10.173 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.221 -13.049 -10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.148 -13.666 -12.277 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.555 -14.626 -12.416 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.020 -14.534 -13.286 1.00 0.00 H new ATOM 567 N SER A 38 -15.170 -8.260 -10.941 1.00 0.00 N ATOM 568 CA SER A 38 -15.194 -7.402 -12.084 1.00 0.00 C ATOM 569 C SER A 38 -13.945 -6.633 -12.347 1.00 0.00 C ATOM 570 O SER A 38 -13.712 -6.255 -13.494 1.00 0.00 O ATOM 571 CB SER A 38 -16.361 -6.407 -11.970 1.00 0.00 C ATOM 572 OG SER A 38 -17.635 -7.034 -12.012 1.00 0.00 O ATOM 0 H SER A 38 -15.828 -7.997 -10.207 1.00 0.00 H new ATOM 0 HA SER A 38 -15.310 -8.083 -12.927 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.267 -5.851 -11.037 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.293 -5.682 -12.781 1.00 0.00 H new ATOM 0 HG SER A 38 -17.882 -7.334 -11.112 1.00 0.00 H new ATOM 578 N LEU A 39 -13.028 -6.460 -11.379 1.00 0.00 N ATOM 579 CA LEU A 39 -11.664 -6.085 -11.592 1.00 0.00 C ATOM 580 C LEU A 39 -10.957 -7.143 -12.368 1.00 0.00 C ATOM 581 O LEU A 39 -10.180 -6.881 -13.284 1.00 0.00 O ATOM 582 CB LEU A 39 -10.796 -5.792 -10.357 1.00 0.00 C ATOM 583 CG LEU A 39 -11.254 -4.548 -9.578 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.488 -4.408 -8.252 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.015 -3.225 -10.325 1.00 0.00 C ATOM 0 H LEU A 39 -13.251 -6.589 -10.392 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.768 -5.135 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.816 -6.656 -9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.761 -5.655 -10.672 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.322 -4.708 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.834 -3.519 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.665 -5.289 -7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.421 -4.316 -8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.363 -2.393 -9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.950 -3.107 -10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.562 -3.236 -11.268 1.00 0.00 H new ATOM 597 N GLY A 40 -11.104 -8.406 -11.928 1.00 0.00 N ATOM 598 CA GLY A 40 -10.322 -9.487 -12.441 1.00 0.00 C ATOM 599 C GLY A 40 -9.587 -10.185 -11.349 1.00 0.00 C ATOM 600 O GLY A 40 -8.422 -10.556 -11.487 1.00 0.00 O ATOM 0 H GLY A 40 -11.773 -8.680 -11.208 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.970 -10.195 -12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.612 -9.109 -13.177 1.00 0.00 H new ATOM 604 N GLN A 41 -10.166 -10.335 -10.144 1.00 0.00 N ATOM 605 CA GLN A 41 -9.577 -10.989 -9.018 1.00 0.00 C ATOM 606 C GLN A 41 -10.191 -12.305 -8.685 1.00 0.00 C ATOM 607 O GLN A 41 -11.162 -12.731 -9.309 1.00 0.00 O ATOM 608 CB GLN A 41 -9.673 -10.030 -7.819 1.00 0.00 C ATOM 609 CG GLN A 41 -8.891 -8.741 -8.077 1.00 0.00 C ATOM 610 CD GLN A 41 -8.773 -7.908 -6.809 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.024 -8.249 -5.654 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.380 -6.628 -7.051 1.00 0.00 N ATOM 0 H GLN A 41 -11.101 -9.978 -9.945 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.542 -11.220 -9.269 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.718 -9.791 -7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.286 -10.521 -6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.896 -8.984 -8.450 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.389 -8.159 -8.853 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.168 -6.331 -8.004 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.297 -5.966 -6.280 1.00 0.00 H new ATOM 621 N ASN A 42 -9.684 -13.004 -7.654 1.00 0.00 N ATOM 622 CA ASN A 42 -10.305 -14.176 -7.119 1.00 0.00 C ATOM 623 C ASN A 42 -10.164 -14.114 -5.637 1.00 0.00 C ATOM 624 O ASN A 42 -9.134 -14.517 -5.099 1.00 0.00 O ATOM 625 CB ASN A 42 -9.488 -15.375 -7.632 1.00 0.00 C ATOM 626 CG ASN A 42 -10.051 -16.753 -7.315 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.929 -16.956 -6.477 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.486 -17.730 -8.074 1.00 0.00 N ATOM 0 H ASN A 42 -8.818 -12.747 -7.179 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.354 -14.257 -7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.389 -15.285 -8.714 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.484 -15.310 -7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.787 -18.699 -7.965 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.761 -17.494 -8.752 1.00 0.00 H new ATOM 635 N PRO A 43 -11.043 -13.467 -4.932 1.00 0.00 N ATOM 636 CA PRO A 43 -10.964 -13.395 -3.502 1.00 0.00 C ATOM 637 C PRO A 43 -11.774 -14.445 -2.822 1.00 0.00 C ATOM 638 O PRO A 43 -12.322 -15.320 -3.490 1.00 0.00 O ATOM 639 CB PRO A 43 -11.666 -12.091 -3.134 1.00 0.00 C ATOM 640 CG PRO A 43 -12.681 -11.954 -4.280 1.00 0.00 C ATOM 641 CD PRO A 43 -11.891 -12.434 -5.508 1.00 0.00 C ATOM 0 HA PRO A 43 -9.920 -13.493 -3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.152 -12.148 -2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.974 -11.249 -3.096 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.568 -12.564 -4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.020 -10.925 -4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.545 -12.829 -6.286 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.308 -11.631 -5.959 1.00 0.00 H new ATOM 649 N THR A 44 -11.823 -14.449 -1.478 1.00 0.00 N ATOM 650 CA THR A 44 -12.602 -15.397 -0.744 1.00 0.00 C ATOM 651 C THR A 44 -13.592 -14.615 0.050 1.00 0.00 C ATOM 652 O THR A 44 -13.340 -13.522 0.555 1.00 0.00 O ATOM 653 CB THR A 44 -11.764 -16.300 0.113 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.115 -15.519 1.105 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.714 -17.160 -0.610 1.00 0.00 C ATOM 0 H THR A 44 -11.315 -13.786 -0.893 1.00 0.00 H new ATOM 0 HA THR A 44 -13.111 -16.076 -1.428 1.00 0.00 H new ATOM 0 HB THR A 44 -12.470 -17.019 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.566 -16.100 1.672 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.176 -17.767 0.119 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.210 -17.812 -1.329 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.010 -16.512 -1.133 1.00 0.00 H new ATOM 663 N GLU A 45 -14.810 -15.154 0.236 1.00 0.00 N ATOM 664 CA GLU A 45 -15.953 -14.772 1.005 1.00 0.00 C ATOM 665 C GLU A 45 -15.547 -14.389 2.386 1.00 0.00 C ATOM 666 O GLU A 45 -16.075 -13.372 2.833 1.00 0.00 O ATOM 667 CB GLU A 45 -16.955 -15.928 1.169 1.00 0.00 C ATOM 668 CG GLU A 45 -17.846 -16.304 -0.017 1.00 0.00 C ATOM 669 CD GLU A 45 -17.118 -16.867 -1.230 1.00 0.00 C ATOM 670 OE1 GLU A 45 -16.433 -16.177 -2.032 1.00 0.00 O ATOM 671 OE2 GLU A 45 -17.313 -18.085 -1.483 1.00 0.00 O ATOM 0 H GLU A 45 -15.022 -16.024 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.411 -13.943 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.391 -16.816 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.607 -15.683 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.578 -17.038 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.402 -15.419 -0.327 1.00 0.00 H new ATOM 678 N ALA A 46 -14.700 -15.160 3.092 1.00 0.00 N ATOM 679 CA ALA A 46 -14.196 -14.897 4.404 1.00 0.00 C ATOM 680 C ALA A 46 -13.311 -13.705 4.529 1.00 0.00 C ATOM 681 O ALA A 46 -13.447 -12.907 5.456 1.00 0.00 O ATOM 682 CB ALA A 46 -13.459 -16.129 4.954 1.00 0.00 C ATOM 0 H ALA A 46 -14.340 -16.036 2.714 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.085 -14.668 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.082 -15.911 5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.147 -16.973 5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.625 -16.377 4.298 1.00 0.00 H new ATOM 688 N GLU A 47 -12.478 -13.448 3.505 1.00 0.00 N ATOM 689 CA GLU A 47 -11.644 -12.286 3.482 1.00 0.00 C ATOM 690 C GLU A 47 -12.373 -11.057 3.059 1.00 0.00 C ATOM 691 O GLU A 47 -12.119 -9.965 3.565 1.00 0.00 O ATOM 692 CB GLU A 47 -10.324 -12.411 2.702 1.00 0.00 C ATOM 693 CG GLU A 47 -9.276 -13.381 3.251 1.00 0.00 C ATOM 694 CD GLU A 47 -7.881 -13.046 2.744 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.684 -12.637 1.569 1.00 0.00 O ATOM 696 OE2 GLU A 47 -6.973 -13.224 3.600 1.00 0.00 O ATOM 0 H GLU A 47 -12.382 -14.050 2.687 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.355 -12.193 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.562 -12.713 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.871 -11.421 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.285 -13.349 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.534 -14.399 2.960 1.00 0.00 H new ATOM 703 N LEU A 48 -13.465 -11.216 2.290 1.00 0.00 N ATOM 704 CA LEU A 48 -14.423 -10.187 2.030 1.00 0.00 C ATOM 705 C LEU A 48 -15.220 -9.784 3.222 1.00 0.00 C ATOM 706 O LEU A 48 -15.327 -8.579 3.446 1.00 0.00 O ATOM 707 CB LEU A 48 -15.289 -10.726 0.878 1.00 0.00 C ATOM 708 CG LEU A 48 -14.607 -10.513 -0.483 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.529 -11.273 -1.451 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.528 -9.039 -0.917 1.00 0.00 C ATOM 0 H LEU A 48 -13.690 -12.098 1.830 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.925 -9.256 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.478 -11.789 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.257 -10.226 0.884 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.572 -10.852 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.139 -11.191 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.572 -12.323 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.530 -10.844 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.034 -8.971 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.535 -8.628 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.959 -8.473 -0.180 1.00 0.00 H new ATOM 722 N GLN A 49 -15.715 -10.694 4.080 1.00 0.00 N ATOM 723 CA GLN A 49 -16.277 -10.393 5.360 1.00 0.00 C ATOM 724 C GLN A 49 -15.411 -9.690 6.347 1.00 0.00 C ATOM 725 O GLN A 49 -15.852 -8.782 7.050 1.00 0.00 O ATOM 726 CB GLN A 49 -16.996 -11.606 5.975 1.00 0.00 C ATOM 727 CG GLN A 49 -17.924 -11.225 7.130 1.00 0.00 C ATOM 728 CD GLN A 49 -19.116 -10.410 6.649 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.853 -11.005 5.863 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.221 -9.107 7.023 1.00 0.00 N ATOM 0 H GLN A 49 -15.723 -11.692 3.869 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.014 -9.627 5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.575 -12.109 5.201 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.253 -12.319 6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.278 -12.129 7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.367 -10.652 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.554 -8.711 7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.967 -8.526 6.642 1.00 0.00 H new ATOM 739 N ASP A 50 -14.146 -10.145 6.309 1.00 0.00 N ATOM 740 CA ASP A 50 -12.969 -9.756 7.022 1.00 0.00 C ATOM 741 C ASP A 50 -12.788 -8.315 6.689 1.00 0.00 C ATOM 742 O ASP A 50 -12.679 -7.471 7.578 1.00 0.00 O ATOM 743 CB ASP A 50 -11.648 -10.481 6.715 1.00 0.00 C ATOM 744 CG ASP A 50 -10.548 -9.979 7.639 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.886 -9.922 8.852 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.404 -9.739 7.168 1.00 0.00 O ATOM 0 H ASP A 50 -13.921 -10.910 5.672 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.147 -10.010 8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.777 -11.556 6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.365 -10.313 5.676 1.00 0.00 H new ATOM 751 N MET A 51 -12.820 -7.908 5.407 1.00 0.00 N ATOM 752 CA MET A 51 -12.682 -6.580 4.895 1.00 0.00 C ATOM 753 C MET A 51 -13.695 -5.589 5.355 1.00 0.00 C ATOM 754 O MET A 51 -13.299 -4.493 5.747 1.00 0.00 O ATOM 755 CB MET A 51 -12.909 -6.633 3.375 1.00 0.00 C ATOM 756 CG MET A 51 -12.576 -5.347 2.616 1.00 0.00 C ATOM 757 SD MET A 51 -12.615 -5.592 0.815 1.00 0.00 S ATOM 758 CE MET A 51 -12.410 -3.835 0.402 1.00 0.00 C ATOM 0 H MET A 51 -12.957 -8.582 4.653 1.00 0.00 H new ATOM 0 HA MET A 51 -11.697 -6.262 5.238 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.308 -7.444 2.963 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.953 -6.884 3.189 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.287 -4.568 2.892 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.588 -4.996 2.913 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.438 -3.710 -0.680 1.00 0.00 H new ATOM 0 HE2 MET A 51 -13.217 -3.258 0.854 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.452 -3.481 0.784 1.00 0.00 H new ATOM 768 N ILE A 52 -14.949 -6.076 5.340 1.00 0.00 N ATOM 769 CA ILE A 52 -16.147 -5.440 5.792 1.00 0.00 C ATOM 770 C ILE A 52 -16.105 -5.218 7.264 1.00 0.00 C ATOM 771 O ILE A 52 -16.121 -4.093 7.762 1.00 0.00 O ATOM 772 CB ILE A 52 -17.398 -6.246 5.596 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.760 -6.327 4.103 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.587 -5.587 6.314 1.00 0.00 C ATOM 775 CD1 ILE A 52 -19.149 -6.856 3.747 1.00 0.00 C ATOM 0 H ILE A 52 -15.140 -7.009 4.974 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.183 -4.527 5.198 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.207 -7.240 6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.660 -5.329 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -17.022 -6.960 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.484 -6.187 6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.375 -5.519 7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.746 -4.587 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.270 -6.859 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.260 -7.871 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.908 -6.215 4.195 1.00 0.00 H new ATOM 787 N ASN A 53 -15.821 -6.261 8.064 1.00 0.00 N ATOM 788 CA ASN A 53 -15.841 -6.261 9.494 1.00 0.00 C ATOM 789 C ASN A 53 -14.910 -5.209 9.991 1.00 0.00 C ATOM 790 O ASN A 53 -15.220 -4.692 11.064 1.00 0.00 O ATOM 791 CB ASN A 53 -15.403 -7.576 10.159 1.00 0.00 C ATOM 792 CG ASN A 53 -16.535 -8.590 10.233 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.649 -8.367 9.760 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.270 -9.793 10.811 1.00 0.00 N ATOM 0 H ASN A 53 -15.558 -7.170 7.683 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.885 -6.092 9.758 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.571 -8.004 9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.038 -7.368 11.165 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.995 -10.510 10.852 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.347 -9.978 11.203 1.00 0.00 H new ATOM 801 N GLU A 54 -13.826 -4.888 9.263 1.00 0.00 N ATOM 802 CA GLU A 54 -12.910 -3.874 9.684 1.00 0.00 C ATOM 803 C GLU A 54 -13.574 -2.588 10.037 1.00 0.00 C ATOM 804 O GLU A 54 -13.410 -2.121 11.163 1.00 0.00 O ATOM 805 CB GLU A 54 -11.745 -3.649 8.705 1.00 0.00 C ATOM 806 CG GLU A 54 -10.744 -2.637 9.264 1.00 0.00 C ATOM 807 CD GLU A 54 -9.411 -2.584 8.532 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.755 -3.610 8.208 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.004 -1.423 8.262 1.00 0.00 O ATOM 0 H GLU A 54 -13.583 -5.333 8.378 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.475 -4.271 10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.240 -4.596 8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.132 -3.293 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.197 -1.646 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.558 -2.873 10.312 1.00 0.00 H new ATOM 816 N VAL A 55 -14.372 -2.112 9.065 1.00 0.00 N ATOM 817 CA VAL A 55 -14.949 -0.804 9.060 1.00 0.00 C ATOM 818 C VAL A 55 -16.303 -0.764 9.679 1.00 0.00 C ATOM 819 O VAL A 55 -16.860 0.325 9.807 1.00 0.00 O ATOM 820 CB VAL A 55 -14.987 -0.266 7.660 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.501 -0.158 7.280 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.835 -1.178 6.757 1.00 0.00 C ATOM 0 H VAL A 55 -14.626 -2.664 8.246 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.312 -0.169 9.676 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.472 0.704 7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.412 0.229 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.997 0.517 7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.039 -1.144 7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.852 -0.774 5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.402 -2.178 6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.852 -1.229 7.145 1.00 0.00 H new ATOM 832 N ASP A 56 -16.775 -1.883 10.258 1.00 0.00 N ATOM 833 CA ASP A 56 -18.121 -2.114 10.681 1.00 0.00 C ATOM 834 C ASP A 56 -18.398 -1.636 12.064 1.00 0.00 C ATOM 835 O ASP A 56 -18.335 -2.416 13.013 1.00 0.00 O ATOM 836 CB ASP A 56 -18.547 -3.551 10.336 1.00 0.00 C ATOM 837 CG ASP A 56 -20.026 -3.861 10.150 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.721 -2.995 9.555 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.452 -4.901 10.718 1.00 0.00 O ATOM 0 H ASP A 56 -16.171 -2.683 10.443 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.794 -1.478 10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.034 -3.834 9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.171 -4.203 11.124 1.00 0.00 H new ATOM 844 N ALA A 57 -18.681 -0.335 12.261 1.00 0.00 N ATOM 845 CA ALA A 57 -18.951 0.265 13.531 1.00 0.00 C ATOM 846 C ALA A 57 -20.307 -0.132 14.003 1.00 0.00 C ATOM 847 O ALA A 57 -20.421 -0.442 15.188 1.00 0.00 O ATOM 848 CB ALA A 57 -18.831 1.797 13.463 1.00 0.00 C ATOM 0 H ALA A 57 -18.723 0.334 11.492 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.207 -0.093 14.242 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.042 2.222 14.444 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.820 2.070 13.159 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.545 2.186 12.737 1.00 0.00 H new ATOM 854 N ASP A 58 -21.351 -0.083 13.156 1.00 0.00 N ATOM 855 CA ASP A 58 -22.722 -0.231 13.533 1.00 0.00 C ATOM 856 C ASP A 58 -23.075 -1.643 13.854 1.00 0.00 C ATOM 857 O ASP A 58 -23.865 -1.947 14.746 1.00 0.00 O ATOM 858 CB ASP A 58 -23.639 0.367 12.453 1.00 0.00 C ATOM 859 CG ASP A 58 -23.213 -0.040 11.050 1.00 0.00 C ATOM 860 OD1 ASP A 58 -22.933 -1.253 10.855 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.131 0.803 10.117 1.00 0.00 O ATOM 0 H ASP A 58 -21.231 0.068 12.154 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.877 0.328 14.456 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.665 0.042 12.628 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.631 1.454 12.533 1.00 0.00 H new ATOM 866 N GLY A 59 -22.355 -2.539 13.156 1.00 0.00 N ATOM 867 CA GLY A 59 -22.306 -3.932 13.476 1.00 0.00 C ATOM 868 C GLY A 59 -23.159 -4.695 12.521 1.00 0.00 C ATOM 869 O GLY A 59 -23.532 -5.814 12.868 1.00 0.00 O ATOM 0 H GLY A 59 -21.790 -2.287 12.345 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.278 -4.291 13.427 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.652 -4.093 14.497 1.00 0.00 H new ATOM 873 N ASN A 60 -23.740 -4.077 11.478 1.00 0.00 N ATOM 874 CA ASN A 60 -24.680 -4.624 10.550 1.00 0.00 C ATOM 875 C ASN A 60 -24.221 -5.625 9.546 1.00 0.00 C ATOM 876 O ASN A 60 -25.018 -6.366 8.972 1.00 0.00 O ATOM 877 CB ASN A 60 -25.555 -3.522 9.929 1.00 0.00 C ATOM 878 CG ASN A 60 -24.892 -2.666 8.859 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.722 -2.887 8.552 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.629 -1.656 8.323 1.00 0.00 N ATOM 0 H ASN A 60 -23.530 -3.102 11.266 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.278 -5.268 11.195 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.439 -3.989 9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.900 -2.866 10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.214 -1.035 7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.597 -1.520 8.616 1.00 0.00 H new ATOM 887 N GLY A 61 -22.895 -5.725 9.347 1.00 0.00 N ATOM 888 CA GLY A 61 -22.269 -6.664 8.470 1.00 0.00 C ATOM 889 C GLY A 61 -22.142 -6.243 7.046 1.00 0.00 C ATOM 890 O GLY A 61 -21.818 -7.002 6.134 1.00 0.00 O ATOM 0 H GLY A 61 -22.226 -5.120 9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.272 -6.882 8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.834 -7.595 8.504 1.00 0.00 H new ATOM 894 N THR A 62 -22.366 -4.938 6.812 1.00 0.00 N ATOM 895 CA THR A 62 -22.317 -4.320 5.523 1.00 0.00 C ATOM 896 C THR A 62 -21.537 -3.051 5.506 1.00 0.00 C ATOM 897 O THR A 62 -21.336 -2.412 6.537 1.00 0.00 O ATOM 898 CB THR A 62 -23.669 -4.098 4.914 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.463 -3.288 5.770 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.388 -5.452 4.799 1.00 0.00 C ATOM 0 H THR A 62 -22.593 -4.281 7.559 1.00 0.00 H new ATOM 0 HA THR A 62 -21.790 -5.046 4.905 1.00 0.00 H new ATOM 0 HB THR A 62 -23.539 -3.621 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 62 -23.978 -3.122 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.373 -5.304 4.357 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.804 -6.122 4.168 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.497 -5.891 5.791 1.00 0.00 H new ATOM 908 N ILE A 63 -21.048 -2.622 4.328 1.00 0.00 N ATOM 909 CA ILE A 63 -20.412 -1.350 4.180 1.00 0.00 C ATOM 910 C ILE A 63 -21.558 -0.418 3.978 1.00 0.00 C ATOM 911 O ILE A 63 -22.255 -0.509 2.968 1.00 0.00 O ATOM 912 CB ILE A 63 -19.278 -1.260 3.203 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.375 -2.503 3.248 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.378 -0.079 3.603 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.111 -2.597 2.395 1.00 0.00 C ATOM 0 H ILE A 63 -21.095 -3.166 3.466 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.824 -1.087 5.059 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.717 -1.154 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.069 -2.636 4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.998 -3.358 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.548 -0.000 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.958 0.844 3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -17.989 -0.242 4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.620 -3.553 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.377 -2.519 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.433 -1.786 2.659 1.00 0.00 H new ATOM 927 N ASP A 64 -21.720 0.497 4.950 1.00 0.00 N ATOM 928 CA ASP A 64 -22.507 1.670 4.726 1.00 0.00 C ATOM 929 C ASP A 64 -21.617 2.746 4.205 1.00 0.00 C ATOM 930 O ASP A 64 -20.391 2.655 4.238 1.00 0.00 O ATOM 931 CB ASP A 64 -23.144 2.164 6.036 1.00 0.00 C ATOM 932 CG ASP A 64 -23.960 1.146 6.820 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.514 0.047 7.246 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.105 1.596 7.090 1.00 0.00 O ATOM 0 H ASP A 64 -21.311 0.427 5.882 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.298 1.430 4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.349 2.536 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.788 3.012 5.804 1.00 0.00 H new ATOM 939 N PHE A 65 -22.225 3.791 3.617 1.00 0.00 N ATOM 940 CA PHE A 65 -21.538 4.965 3.176 1.00 0.00 C ATOM 941 C PHE A 65 -20.515 5.552 4.087 1.00 0.00 C ATOM 942 O PHE A 65 -19.379 5.564 3.615 1.00 0.00 O ATOM 943 CB PHE A 65 -22.428 6.005 2.474 1.00 0.00 C ATOM 944 CG PHE A 65 -21.647 7.061 1.769 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.773 6.798 0.741 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.750 8.375 2.161 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.224 7.795 -0.030 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.153 9.385 1.445 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.379 9.110 0.342 1.00 0.00 C ATOM 0 H PHE A 65 -23.230 3.820 3.442 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.908 4.544 2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.073 5.498 1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.079 6.474 3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.508 5.772 0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.312 8.619 3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.673 7.546 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.294 10.410 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.906 9.904 -0.216 1.00 0.00 H new ATOM 959 N PRO A 66 -20.588 6.028 5.295 1.00 0.00 N ATOM 960 CA PRO A 66 -19.517 6.665 6.005 1.00 0.00 C ATOM 961 C PRO A 66 -18.427 5.724 6.387 1.00 0.00 C ATOM 962 O PRO A 66 -17.356 6.284 6.614 1.00 0.00 O ATOM 963 CB PRO A 66 -20.158 7.261 7.256 1.00 0.00 C ATOM 964 CG PRO A 66 -21.375 6.349 7.478 1.00 0.00 C ATOM 965 CD PRO A 66 -21.785 5.820 6.095 1.00 0.00 C ATOM 0 HA PRO A 66 -19.042 7.414 5.371 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.478 7.243 8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.452 8.300 7.105 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.126 5.527 8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.194 6.901 7.940 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.067 4.768 6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.639 6.364 5.692 1.00 0.00 H new ATOM 973 N GLU A 67 -18.666 4.401 6.337 1.00 0.00 N ATOM 974 CA GLU A 67 -17.622 3.454 6.578 1.00 0.00 C ATOM 975 C GLU A 67 -16.829 3.141 5.356 1.00 0.00 C ATOM 976 O GLU A 67 -15.716 2.643 5.517 1.00 0.00 O ATOM 977 CB GLU A 67 -18.223 2.172 7.178 1.00 0.00 C ATOM 978 CG GLU A 67 -19.319 2.287 8.240 1.00 0.00 C ATOM 979 CD GLU A 67 -19.996 0.932 8.388 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.430 0.314 7.379 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.120 0.404 9.525 1.00 0.00 O ATOM 0 H GLU A 67 -19.576 3.989 6.131 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.926 3.905 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.625 1.582 6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.404 1.598 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.892 2.602 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.048 3.044 7.951 1.00 0.00 H new ATOM 988 N PHE A 68 -17.322 3.525 4.165 1.00 0.00 N ATOM 989 CA PHE A 68 -16.621 3.498 2.919 1.00 0.00 C ATOM 990 C PHE A 68 -15.784 4.727 2.836 1.00 0.00 C ATOM 991 O PHE A 68 -14.633 4.631 2.414 1.00 0.00 O ATOM 992 CB PHE A 68 -17.582 3.421 1.720 1.00 0.00 C ATOM 993 CG PHE A 68 -16.749 2.967 0.571 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.169 1.722 0.512 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.476 3.908 -0.394 1.00 0.00 C ATOM 996 CE1 PHE A 68 -15.369 1.299 -0.523 1.00 0.00 C ATOM 997 CE2 PHE A 68 -15.707 3.494 -1.456 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.166 2.232 -1.512 1.00 0.00 C ATOM 0 H PHE A 68 -18.274 3.878 4.067 1.00 0.00 H new ATOM 0 HA PHE A 68 -15.999 2.604 2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.397 2.723 1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.035 4.391 1.517 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.352 1.036 1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -16.846 4.920 -0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.934 0.311 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.523 4.180 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 68 -14.559 1.963 -2.364 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.232 5.904 3.308 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.460 7.100 3.449 1.00 0.00 C ATOM 1010 C LEU A 69 -14.366 6.921 4.446 1.00 0.00 C ATOM 1011 O LEU A 69 -13.226 7.351 4.275 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.345 8.286 3.866 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.463 8.570 2.849 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.034 9.930 3.284 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.911 8.654 1.416 1.00 0.00 C ATOM 0 H LEU A 69 -17.198 6.028 3.611 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.019 7.314 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.788 8.080 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.726 9.176 3.979 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.213 7.779 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.843 10.217 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.417 9.855 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.247 10.684 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.728 8.856 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.177 9.457 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.437 7.709 1.153 1.00 0.00 H new ATOM 1027 N THR A 70 -14.586 6.219 5.571 1.00 0.00 N ATOM 1028 CA THR A 70 -13.578 5.684 6.433 1.00 0.00 C ATOM 1029 C THR A 70 -12.585 4.759 5.816 1.00 0.00 C ATOM 1030 O THR A 70 -11.376 4.966 5.902 1.00 0.00 O ATOM 1031 CB THR A 70 -14.251 5.043 7.611 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.032 5.986 8.331 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.308 4.521 8.708 1.00 0.00 C ATOM 0 H THR A 70 -15.529 6.012 5.900 1.00 0.00 H new ATOM 0 HA THR A 70 -12.963 6.535 6.725 1.00 0.00 H new ATOM 0 HB THR A 70 -14.804 4.230 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.866 6.159 7.846 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.895 4.077 9.512 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.642 3.768 8.287 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.717 5.347 9.104 1.00 0.00 H new ATOM 1041 N MET A 71 -12.983 3.735 5.040 1.00 0.00 N ATOM 1042 CA MET A 71 -12.127 2.903 4.254 1.00 0.00 C ATOM 1043 C MET A 71 -11.241 3.607 3.284 1.00 0.00 C ATOM 1044 O MET A 71 -10.029 3.397 3.262 1.00 0.00 O ATOM 1045 CB MET A 71 -12.895 1.825 3.470 1.00 0.00 C ATOM 1046 CG MET A 71 -12.047 0.602 3.114 1.00 0.00 C ATOM 1047 SD MET A 71 -13.059 -0.688 2.329 1.00 0.00 S ATOM 1048 CE MET A 71 -13.449 -1.528 3.891 1.00 0.00 C ATOM 0 H MET A 71 -13.965 3.473 4.957 1.00 0.00 H new ATOM 0 HA MET A 71 -11.494 2.458 5.022 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.753 1.502 4.059 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.286 2.265 2.552 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.242 0.897 2.441 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.580 0.204 4.015 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.962 -2.466 3.681 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.526 -1.733 4.434 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.093 -0.890 4.496 1.00 0.00 H new ATOM 1058 N MET A 72 -11.739 4.589 2.512 1.00 0.00 N ATOM 1059 CA MET A 72 -10.902 5.360 1.645 1.00 0.00 C ATOM 1060 C MET A 72 -9.916 6.189 2.394 1.00 0.00 C ATOM 1061 O MET A 72 -8.751 6.281 2.009 1.00 0.00 O ATOM 1062 CB MET A 72 -11.724 6.137 0.603 1.00 0.00 C ATOM 1063 CG MET A 72 -12.320 5.299 -0.530 1.00 0.00 C ATOM 1064 SD MET A 72 -11.182 4.496 -1.698 1.00 0.00 S ATOM 1065 CE MET A 72 -11.311 2.883 -0.874 1.00 0.00 C ATOM 0 H MET A 72 -12.725 4.850 2.488 1.00 0.00 H new ATOM 0 HA MET A 72 -10.292 4.663 1.070 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.537 6.650 1.117 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.088 6.906 0.165 1.00 0.00 H new ATOM 0 HG2 MET A 72 -12.937 4.522 -0.079 1.00 0.00 H new ATOM 0 HG3 MET A 72 -12.987 5.942 -1.104 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.337 2.393 -0.878 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.641 3.025 0.155 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.032 2.261 -1.403 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.389 6.748 3.522 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.513 7.506 4.360 1.00 0.00 C ATOM 1077 C ALA A 73 -8.520 6.620 5.031 1.00 0.00 C ATOM 1078 O ALA A 73 -7.383 7.042 5.240 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.238 8.447 5.336 1.00 0.00 C ATOM 0 H ALA A 73 -11.353 6.679 3.848 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.963 8.180 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.504 8.985 5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.841 9.160 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.884 7.863 5.992 1.00 0.00 H new ATOM 1234 N GLU A 83 -1.163 12.899 -7.269 1.00 0.00 N ATOM 1235 CA GLU A 83 -0.226 13.779 -7.896 1.00 0.00 C ATOM 1236 C GLU A 83 1.180 13.290 -7.972 1.00 0.00 C ATOM 1237 O GLU A 83 1.838 13.526 -8.984 1.00 0.00 O ATOM 1238 CB GLU A 83 -0.253 15.215 -7.348 1.00 0.00 C ATOM 1239 CG GLU A 83 -1.591 15.917 -7.590 1.00 0.00 C ATOM 1240 CD GLU A 83 -1.767 16.182 -9.078 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -2.091 15.186 -9.779 1.00 0.00 O ATOM 1242 OE2 GLU A 83 -1.719 17.368 -9.501 1.00 0.00 O ATOM 0 HA GLU A 83 -0.599 13.792 -8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.047 15.195 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.545 15.792 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.409 15.299 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.626 16.855 -7.037 1.00 0.00 H new ATOM 1249 N GLU A 84 1.686 12.654 -6.900 1.00 0.00 N ATOM 1250 CA GLU A 84 2.990 12.072 -6.812 1.00 0.00 C ATOM 1251 C GLU A 84 3.164 11.050 -7.882 1.00 0.00 C ATOM 1252 O GLU A 84 4.189 11.049 -8.561 1.00 0.00 O ATOM 1253 CB GLU A 84 3.288 11.413 -5.455 1.00 0.00 C ATOM 1254 CG GLU A 84 4.680 10.833 -5.195 1.00 0.00 C ATOM 1255 CD GLU A 84 4.844 10.226 -3.809 1.00 0.00 C ATOM 1256 OE1 GLU A 84 4.614 11.009 -2.849 1.00 0.00 O ATOM 1257 OE2 GLU A 84 5.176 9.027 -3.614 1.00 0.00 O ATOM 0 H GLU A 84 1.150 12.539 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 84 3.691 12.898 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.092 12.154 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.566 10.608 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.890 10.069 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.422 11.621 -5.326 1.00 0.00 H new ATOM 1264 N ILE A 85 2.188 10.141 -8.056 1.00 0.00 N ATOM 1265 CA ILE A 85 2.247 9.092 -9.027 1.00 0.00 C ATOM 1266 C ILE A 85 2.057 9.630 -10.403 1.00 0.00 C ATOM 1267 O ILE A 85 2.550 9.033 -11.358 1.00 0.00 O ATOM 1268 CB ILE A 85 1.366 7.899 -8.800 1.00 0.00 C ATOM 1269 CG1 ILE A 85 -0.144 8.156 -8.940 1.00 0.00 C ATOM 1270 CG2 ILE A 85 1.761 7.308 -7.436 1.00 0.00 C ATOM 1271 CD1 ILE A 85 -1.044 6.978 -8.569 1.00 0.00 C ATOM 0 H ILE A 85 1.330 10.136 -7.504 1.00 0.00 H new ATOM 0 HA ILE A 85 3.254 8.693 -8.902 1.00 0.00 H new ATOM 0 HB ILE A 85 1.537 7.180 -9.601 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.411 9.007 -8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.353 8.441 -9.971 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.145 6.434 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.811 7.015 -7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.608 8.055 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.088 7.262 -8.702 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.814 6.128 -9.212 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.873 6.703 -7.528 1.00 0.00 H new ATOM 1283 N ARG A 86 1.309 10.733 -10.587 1.00 0.00 N ATOM 1284 CA ARG A 86 1.170 11.436 -11.825 1.00 0.00 C ATOM 1285 C ARG A 86 2.443 12.057 -12.287 1.00 0.00 C ATOM 1286 O ARG A 86 2.759 11.916 -13.467 1.00 0.00 O ATOM 1287 CB ARG A 86 0.060 12.499 -11.786 1.00 0.00 C ATOM 1288 CG ARG A 86 -0.328 13.043 -13.163 1.00 0.00 C ATOM 1289 CD ARG A 86 -1.775 13.528 -13.058 1.00 0.00 C ATOM 1290 NE ARG A 86 -1.821 14.852 -12.376 1.00 0.00 N ATOM 1291 CZ ARG A 86 -2.026 16.088 -12.919 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -1.973 16.396 -14.247 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -2.227 17.171 -12.114 1.00 0.00 N ATOM 0 H ARG A 86 0.772 11.157 -9.830 1.00 0.00 H new ATOM 0 HA ARG A 86 0.885 10.670 -12.546 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.824 12.070 -11.314 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.386 13.328 -11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.332 13.859 -13.456 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.235 12.269 -13.924 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.214 13.607 -14.053 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.371 12.803 -12.503 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.680 14.832 -11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.765 15.669 -14.931 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.142 17.353 -14.556 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.225 17.060 -11.100 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.380 18.091 -12.526 1.00 0.00 H new ATOM 1307 N GLU A 87 3.312 12.711 -11.495 1.00 0.00 N ATOM 1308 CA GLU A 87 4.638 13.044 -11.911 1.00 0.00 C ATOM 1309 C GLU A 87 5.590 11.927 -12.166 1.00 0.00 C ATOM 1310 O GLU A 87 6.385 11.968 -13.105 1.00 0.00 O ATOM 1311 CB GLU A 87 5.326 14.042 -10.964 1.00 0.00 C ATOM 1312 CG GLU A 87 4.372 15.230 -10.822 1.00 0.00 C ATOM 1313 CD GLU A 87 5.023 16.543 -10.411 1.00 0.00 C ATOM 1314 OE1 GLU A 87 5.686 17.178 -11.274 1.00 0.00 O ATOM 1315 OE2 GLU A 87 4.873 16.935 -9.223 1.00 0.00 O ATOM 0 H GLU A 87 3.088 13.014 -10.547 1.00 0.00 H new ATOM 0 HA GLU A 87 4.428 13.486 -12.885 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.524 13.585 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.287 14.361 -11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.860 15.379 -11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.609 14.976 -10.086 1.00 0.00 H new ATOM 1322 N ALA A 88 5.368 10.801 -11.465 1.00 0.00 N ATOM 1323 CA ALA A 88 6.140 9.598 -11.410 1.00 0.00 C ATOM 1324 C ALA A 88 6.008 8.786 -12.652 1.00 0.00 C ATOM 1325 O ALA A 88 6.943 8.168 -13.159 1.00 0.00 O ATOM 1326 CB ALA A 88 5.676 8.685 -10.262 1.00 0.00 C ATOM 0 H ALA A 88 4.546 10.729 -10.865 1.00 0.00 H new ATOM 0 HA ALA A 88 7.170 9.927 -11.271 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.283 7.780 -10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.786 9.210 -9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.630 8.418 -10.410 1.00 0.00 H new ATOM 1332 N PHE A 89 4.831 8.754 -13.303 1.00 0.00 N ATOM 1333 CA PHE A 89 4.655 8.165 -14.594 1.00 0.00 C ATOM 1334 C PHE A 89 5.652 8.534 -15.638 1.00 0.00 C ATOM 1335 O PHE A 89 6.222 7.720 -16.363 1.00 0.00 O ATOM 1336 CB PHE A 89 3.226 8.463 -15.079 1.00 0.00 C ATOM 1337 CG PHE A 89 2.822 7.703 -16.295 1.00 0.00 C ATOM 1338 CD1 PHE A 89 2.671 6.337 -16.346 1.00 0.00 C ATOM 1339 CD2 PHE A 89 2.575 8.488 -17.396 1.00 0.00 C ATOM 1340 CE1 PHE A 89 2.093 5.751 -17.447 1.00 0.00 C ATOM 1341 CE2 PHE A 89 2.096 7.914 -18.550 1.00 0.00 C ATOM 1342 CZ PHE A 89 1.911 6.552 -18.550 1.00 0.00 C ATOM 0 H PHE A 89 3.974 9.151 -12.918 1.00 0.00 H new ATOM 0 HA PHE A 89 4.826 7.098 -14.453 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.527 8.237 -14.274 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.140 9.530 -15.286 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.006 5.725 -15.522 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.757 9.552 -17.355 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.796 4.713 -17.446 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.874 8.510 -19.423 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.604 6.082 -19.473 1.00 0.00 H new ATOM 1352 N ARG A 90 5.878 9.849 -15.808 1.00 0.00 N ATOM 1353 CA ARG A 90 6.785 10.482 -16.714 1.00 0.00 C ATOM 1354 C ARG A 90 8.153 10.555 -16.127 1.00 0.00 C ATOM 1355 O ARG A 90 9.120 10.886 -16.812 1.00 0.00 O ATOM 1356 CB ARG A 90 6.352 11.864 -17.230 1.00 0.00 C ATOM 1357 CG ARG A 90 5.973 12.800 -16.081 1.00 0.00 C ATOM 1358 CD ARG A 90 5.862 14.239 -16.590 1.00 0.00 C ATOM 1359 NE ARG A 90 7.190 14.763 -17.015 1.00 0.00 N ATOM 1360 CZ ARG A 90 8.045 15.615 -16.377 1.00 0.00 C ATOM 1361 NH1 ARG A 90 7.936 16.112 -15.110 1.00 0.00 N ATOM 1362 NH2 ARG A 90 9.159 15.967 -17.083 1.00 0.00 N ATOM 0 H ARG A 90 5.371 10.537 -15.252 1.00 0.00 H new ATOM 0 HA ARG A 90 6.783 9.839 -17.594 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.162 12.307 -17.809 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.503 11.752 -17.904 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.025 12.486 -15.644 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.723 12.742 -15.292 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.167 14.278 -17.429 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.451 14.875 -15.806 1.00 0.00 H new ATOM 0 HE ARG A 90 7.511 14.434 -17.925 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.142 15.849 -14.526 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.648 16.746 -14.748 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.306 15.596 -18.022 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.844 16.601 -16.672 1.00 0.00 H new ATOM 1376 N VAL A 91 8.417 10.384 -14.819 1.00 0.00 N ATOM 1377 CA VAL A 91 9.744 10.381 -14.286 1.00 0.00 C ATOM 1378 C VAL A 91 10.294 9.091 -14.792 1.00 0.00 C ATOM 1379 O VAL A 91 11.417 8.890 -15.251 1.00 0.00 O ATOM 1380 CB VAL A 91 9.793 10.492 -12.791 1.00 0.00 C ATOM 1381 CG1 VAL A 91 11.114 10.064 -12.130 1.00 0.00 C ATOM 1382 CG2 VAL A 91 9.449 11.930 -12.369 1.00 0.00 C ATOM 0 H VAL A 91 7.691 10.245 -14.116 1.00 0.00 H new ATOM 0 HA VAL A 91 10.323 11.250 -14.599 1.00 0.00 H new ATOM 0 HB VAL A 91 9.053 9.776 -12.432 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.036 10.186 -11.050 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.316 9.019 -12.364 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.927 10.684 -12.507 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.485 12.009 -11.282 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.170 12.620 -12.807 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.448 12.182 -12.718 1.00 0.00 H new ATOM 1392 N PHE A 92 9.423 8.066 -14.770 1.00 0.00 N ATOM 1393 CA PHE A 92 9.687 6.704 -15.114 1.00 0.00 C ATOM 1394 C PHE A 92 9.985 6.469 -16.555 1.00 0.00 C ATOM 1395 O PHE A 92 11.031 6.010 -17.011 1.00 0.00 O ATOM 1396 CB PHE A 92 8.513 5.829 -14.642 1.00 0.00 C ATOM 1397 CG PHE A 92 8.320 5.573 -13.187 1.00 0.00 C ATOM 1398 CD1 PHE A 92 8.878 6.355 -12.203 1.00 0.00 C ATOM 1399 CD2 PHE A 92 7.679 4.420 -12.802 1.00 0.00 C ATOM 1400 CE1 PHE A 92 8.993 6.020 -10.874 1.00 0.00 C ATOM 1401 CE2 PHE A 92 7.693 4.073 -11.472 1.00 0.00 C ATOM 1402 CZ PHE A 92 8.375 4.835 -10.553 1.00 0.00 C ATOM 0 H PHE A 92 8.453 8.204 -14.487 1.00 0.00 H new ATOM 0 HA PHE A 92 10.606 6.426 -14.598 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.596 6.285 -15.017 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.611 4.861 -15.133 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.261 7.320 -12.501 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.175 3.800 -13.529 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.518 6.629 -10.153 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.162 3.191 -11.145 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.428 4.486 -9.532 1.00 0.00 H new ATOM 1412 N ASP A 93 9.031 6.930 -17.382 1.00 0.00 N ATOM 1413 CA ASP A 93 9.190 6.876 -18.802 1.00 0.00 C ATOM 1414 C ASP A 93 10.140 7.865 -19.386 1.00 0.00 C ATOM 1415 O ASP A 93 10.086 9.067 -19.132 1.00 0.00 O ATOM 1416 CB ASP A 93 7.840 6.921 -19.539 1.00 0.00 C ATOM 1417 CG ASP A 93 7.880 6.093 -20.815 1.00 0.00 C ATOM 1418 OD1 ASP A 93 8.344 4.928 -20.940 1.00 0.00 O ATOM 1419 OD2 ASP A 93 7.495 6.652 -21.877 1.00 0.00 O ATOM 0 H ASP A 93 8.151 7.340 -17.069 1.00 0.00 H new ATOM 0 HA ASP A 93 9.657 5.905 -18.965 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.053 6.547 -18.884 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.589 7.954 -19.781 1.00 0.00 H new ATOM 1424 N LYS A 94 11.176 7.363 -20.081 1.00 0.00 N ATOM 1425 CA LYS A 94 12.213 8.243 -20.523 1.00 0.00 C ATOM 1426 C LYS A 94 11.941 9.112 -21.702 1.00 0.00 C ATOM 1427 O LYS A 94 12.241 10.305 -21.692 1.00 0.00 O ATOM 1428 CB LYS A 94 13.518 7.432 -20.594 1.00 0.00 C ATOM 1429 CG LYS A 94 14.765 8.238 -20.963 1.00 0.00 C ATOM 1430 CD LYS A 94 15.136 9.338 -19.966 1.00 0.00 C ATOM 1431 CE LYS A 94 15.470 8.751 -18.593 1.00 0.00 C ATOM 1432 NZ LYS A 94 15.821 9.888 -17.713 1.00 0.00 N ATOM 0 H LYS A 94 11.296 6.381 -20.331 1.00 0.00 H new ATOM 0 HA LYS A 94 12.297 9.033 -19.777 1.00 0.00 H new ATOM 0 HB2 LYS A 94 13.685 6.956 -19.627 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.392 6.633 -21.325 1.00 0.00 H new ATOM 0 HG2 LYS A 94 15.608 7.554 -21.058 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.611 8.691 -21.942 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.991 9.900 -20.342 1.00 0.00 H new ATOM 0 HD3 LYS A 94 14.309 10.041 -19.872 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.620 8.200 -18.191 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.300 8.048 -18.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.056 9.533 -16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.641 10.392 -18.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.013 10.539 -17.648 1.00 0.00 H new ATOM 1446 N ASP A 95 11.364 8.544 -22.776 1.00 0.00 N ATOM 1447 CA ASP A 95 10.878 9.082 -24.008 1.00 0.00 C ATOM 1448 C ASP A 95 9.609 9.854 -23.888 1.00 0.00 C ATOM 1449 O ASP A 95 9.391 10.921 -24.460 1.00 0.00 O ATOM 1450 CB ASP A 95 10.697 7.865 -24.931 1.00 0.00 C ATOM 1451 CG ASP A 95 9.744 6.807 -24.392 1.00 0.00 C ATOM 1452 OD1 ASP A 95 10.072 6.218 -23.328 1.00 0.00 O ATOM 1453 OD2 ASP A 95 8.695 6.497 -25.017 1.00 0.00 O ATOM 0 H ASP A 95 11.218 7.535 -22.770 1.00 0.00 H new ATOM 0 HA ASP A 95 11.587 9.814 -24.394 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.331 8.209 -25.898 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.671 7.406 -25.104 1.00 0.00 H new ATOM 1458 N GLY A 96 8.721 9.332 -23.022 1.00 0.00 N ATOM 1459 CA GLY A 96 7.473 9.922 -22.649 1.00 0.00 C ATOM 1460 C GLY A 96 6.528 10.025 -23.796 1.00 0.00 C ATOM 1461 O GLY A 96 5.935 11.079 -24.020 1.00 0.00 O ATOM 0 H GLY A 96 8.886 8.441 -22.553 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.016 9.328 -21.857 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.652 10.916 -22.239 1.00 0.00 H new ATOM 1465 N ASN A 97 6.284 8.883 -24.464 1.00 0.00 N ATOM 1466 CA ASN A 97 5.493 8.684 -25.638 1.00 0.00 C ATOM 1467 C ASN A 97 4.052 8.574 -25.273 1.00 0.00 C ATOM 1468 O ASN A 97 3.167 8.822 -26.091 1.00 0.00 O ATOM 1469 CB ASN A 97 5.858 7.459 -26.494 1.00 0.00 C ATOM 1470 CG ASN A 97 5.857 6.079 -25.853 1.00 0.00 C ATOM 1471 OD1 ASN A 97 5.994 5.929 -24.640 1.00 0.00 O ATOM 1472 ND2 ASN A 97 5.530 5.071 -26.706 1.00 0.00 N ATOM 0 H ASN A 97 6.688 8.003 -24.142 1.00 0.00 H new ATOM 0 HA ASN A 97 5.704 9.561 -26.250 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.167 7.430 -27.337 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.854 7.630 -26.904 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.384 4.127 -26.348 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.431 5.259 -27.704 1.00 0.00 H new ATOM 1479 N GLY A 98 3.678 8.012 -24.110 1.00 0.00 N ATOM 1480 CA GLY A 98 2.316 7.657 -23.858 1.00 0.00 C ATOM 1481 C GLY A 98 2.276 6.418 -23.032 1.00 0.00 C ATOM 1482 O GLY A 98 1.343 6.249 -22.249 1.00 0.00 O ATOM 0 H GLY A 98 4.319 7.803 -23.344 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.806 8.470 -23.341 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.789 7.498 -24.799 1.00 0.00 H new ATOM 1486 N TYR A 99 3.181 5.450 -23.267 1.00 0.00 N ATOM 1487 CA TYR A 99 3.151 4.210 -22.557 1.00 0.00 C ATOM 1488 C TYR A 99 4.426 3.809 -21.899 1.00 0.00 C ATOM 1489 O TYR A 99 5.513 4.254 -22.265 1.00 0.00 O ATOM 1490 CB TYR A 99 3.023 3.021 -23.524 1.00 0.00 C ATOM 1491 CG TYR A 99 1.674 3.092 -24.153 1.00 0.00 C ATOM 1492 CD1 TYR A 99 0.575 2.509 -23.568 1.00 0.00 C ATOM 1493 CD2 TYR A 99 1.495 3.931 -25.228 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -0.663 2.660 -24.146 1.00 0.00 C ATOM 1495 CE2 TYR A 99 0.288 4.055 -25.875 1.00 0.00 C ATOM 1496 CZ TYR A 99 -0.777 3.405 -25.296 1.00 0.00 C ATOM 1497 OH TYR A 99 -2.109 3.712 -25.647 1.00 0.00 O ATOM 0 H TYR A 99 3.934 5.527 -23.950 1.00 0.00 H new ATOM 0 HA TYR A 99 2.337 4.389 -21.855 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.802 3.061 -24.285 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.147 2.079 -22.990 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.684 1.936 -22.659 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.334 4.514 -25.577 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.534 2.200 -23.703 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.182 4.629 -26.784 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.116 4.243 -26.471 1.00 0.00 H new ATOM 1507 N ILE A 100 4.317 3.076 -20.776 1.00 0.00 N ATOM 1508 CA ILE A 100 5.435 2.421 -20.171 1.00 0.00 C ATOM 1509 C ILE A 100 5.386 0.996 -20.604 1.00 0.00 C ATOM 1510 O ILE A 100 4.413 0.314 -20.284 1.00 0.00 O ATOM 1511 CB ILE A 100 5.613 2.461 -18.682 1.00 0.00 C ATOM 1512 CG1 ILE A 100 5.314 3.875 -18.156 1.00 0.00 C ATOM 1513 CG2 ILE A 100 7.087 2.114 -18.412 1.00 0.00 C ATOM 1514 CD1 ILE A 100 5.330 3.749 -16.634 1.00 0.00 C ATOM 0 H ILE A 100 3.437 2.936 -20.280 1.00 0.00 H new ATOM 0 HA ILE A 100 6.291 3.001 -20.514 1.00 0.00 H new ATOM 0 HB ILE A 100 4.938 1.764 -18.185 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.062 4.589 -18.500 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.347 4.231 -18.511 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.273 2.129 -17.338 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.305 1.121 -18.805 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.729 2.846 -18.902 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.124 4.721 -16.186 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.568 3.036 -16.320 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.310 3.400 -16.308 1.00 0.00 H new ATOM 1526 N SER A 101 6.325 0.418 -21.374 1.00 0.00 N ATOM 1527 CA SER A 101 6.303 -1.006 -21.495 1.00 0.00 C ATOM 1528 C SER A 101 6.641 -1.730 -20.237 1.00 0.00 C ATOM 1529 O SER A 101 7.396 -1.210 -19.417 1.00 0.00 O ATOM 1530 CB SER A 101 7.009 -1.607 -22.723 1.00 0.00 C ATOM 1531 OG SER A 101 8.408 -1.792 -22.565 1.00 0.00 O ATOM 0 H SER A 101 7.061 0.903 -21.887 1.00 0.00 H new ATOM 0 HA SER A 101 5.246 -1.187 -21.692 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.552 -2.569 -22.955 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.836 -0.957 -23.581 1.00 0.00 H new ATOM 0 HG SER A 101 8.782 -2.178 -23.385 1.00 0.00 H new ATOM 1537 N ALA A 102 6.281 -3.015 -20.073 1.00 0.00 N ATOM 1538 CA ALA A 102 6.841 -3.911 -19.109 1.00 0.00 C ATOM 1539 C ALA A 102 8.326 -3.921 -18.991 1.00 0.00 C ATOM 1540 O ALA A 102 8.858 -4.057 -17.890 1.00 0.00 O ATOM 1541 CB ALA A 102 6.402 -5.326 -19.521 1.00 0.00 C ATOM 0 H ALA A 102 5.559 -3.453 -20.645 1.00 0.00 H new ATOM 0 HA ALA A 102 6.481 -3.573 -18.137 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.805 -6.052 -18.815 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.314 -5.384 -19.520 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.776 -5.546 -20.521 1.00 0.00 H new ATOM 1547 N ALA A 103 9.026 -3.888 -20.139 1.00 0.00 N ATOM 1548 CA ALA A 103 10.438 -3.816 -20.351 1.00 0.00 C ATOM 1549 C ALA A 103 11.067 -2.517 -19.981 1.00 0.00 C ATOM 1550 O ALA A 103 12.141 -2.590 -19.386 1.00 0.00 O ATOM 1551 CB ALA A 103 10.839 -4.250 -21.771 1.00 0.00 C ATOM 0 H ALA A 103 8.533 -3.916 -21.031 1.00 0.00 H new ATOM 0 HA ALA A 103 10.847 -4.539 -19.645 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.921 -4.178 -21.882 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.525 -5.280 -21.939 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.355 -3.600 -22.500 1.00 0.00 H new ATOM 1557 N GLU A 104 10.345 -1.398 -20.172 1.00 0.00 N ATOM 1558 CA GLU A 104 10.731 -0.185 -19.521 1.00 0.00 C ATOM 1559 C GLU A 104 10.485 -0.150 -18.052 1.00 0.00 C ATOM 1560 O GLU A 104 11.345 0.207 -17.248 1.00 0.00 O ATOM 1561 CB GLU A 104 10.052 0.972 -20.272 1.00 0.00 C ATOM 1562 CG GLU A 104 10.402 1.175 -21.747 1.00 0.00 C ATOM 1563 CD GLU A 104 9.507 2.237 -22.370 1.00 0.00 C ATOM 1564 OE1 GLU A 104 8.253 2.233 -22.245 1.00 0.00 O ATOM 1565 OE2 GLU A 104 9.993 3.215 -22.998 1.00 0.00 O ATOM 0 H GLU A 104 9.515 -1.332 -20.761 1.00 0.00 H new ATOM 0 HA GLU A 104 11.816 -0.095 -19.573 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.974 0.829 -20.201 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.286 1.896 -19.743 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.447 1.472 -21.841 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.288 0.234 -22.286 1.00 0.00 H new ATOM 1572 N LEU A 105 9.294 -0.653 -17.682 1.00 0.00 N ATOM 1573 CA LEU A 105 8.802 -0.569 -16.341 1.00 0.00 C ATOM 1574 C LEU A 105 9.640 -1.365 -15.400 1.00 0.00 C ATOM 1575 O LEU A 105 9.880 -0.870 -14.300 1.00 0.00 O ATOM 1576 CB LEU A 105 7.361 -1.098 -16.249 1.00 0.00 C ATOM 1577 CG LEU A 105 6.539 -0.790 -14.986 1.00 0.00 C ATOM 1578 CD1 LEU A 105 6.074 0.674 -14.921 1.00 0.00 C ATOM 1579 CD2 LEU A 105 5.242 -1.599 -15.155 1.00 0.00 C ATOM 0 H LEU A 105 8.660 -1.127 -18.326 1.00 0.00 H new ATOM 0 HA LEU A 105 8.837 0.485 -16.064 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.810 -0.707 -17.105 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.399 -2.181 -16.362 1.00 0.00 H new ATOM 0 HG LEU A 105 7.144 -1.013 -14.107 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.499 0.833 -14.009 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.943 1.332 -14.921 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.450 0.896 -15.787 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.596 -1.435 -14.293 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.728 -1.277 -16.060 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.482 -2.659 -15.232 1.00 0.00 H new ATOM 1591 N ARG A 106 10.161 -2.537 -15.805 1.00 0.00 N ATOM 1592 CA ARG A 106 10.942 -3.341 -14.918 1.00 0.00 C ATOM 1593 C ARG A 106 12.294 -2.790 -14.618 1.00 0.00 C ATOM 1594 O ARG A 106 12.925 -3.203 -13.646 1.00 0.00 O ATOM 1595 CB ARG A 106 11.115 -4.794 -15.389 1.00 0.00 C ATOM 1596 CG ARG A 106 12.038 -5.050 -16.582 1.00 0.00 C ATOM 1597 CD ARG A 106 11.916 -6.401 -17.291 1.00 0.00 C ATOM 1598 NE ARG A 106 12.012 -7.446 -16.233 1.00 0.00 N ATOM 1599 CZ ARG A 106 11.028 -8.386 -16.122 1.00 0.00 C ATOM 1600 NH1 ARG A 106 9.942 -8.438 -16.948 1.00 0.00 N ATOM 1601 NH2 ARG A 106 11.145 -9.332 -15.145 1.00 0.00 N ATOM 0 H ARG A 106 10.043 -2.926 -16.741 1.00 0.00 H new ATOM 0 HA ARG A 106 10.347 -3.325 -14.005 1.00 0.00 H new ATOM 0 HB2 ARG A 106 11.486 -5.378 -14.547 1.00 0.00 H new ATOM 0 HB3 ARG A 106 10.129 -5.185 -15.638 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.861 -4.266 -17.319 1.00 0.00 H new ATOM 0 HG3 ARG A 106 13.067 -4.941 -16.241 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.968 -6.475 -17.824 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.708 -6.524 -18.030 1.00 0.00 H new ATOM 0 HE ARG A 106 12.808 -7.459 -15.595 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.836 -7.751 -17.695 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.237 -9.164 -16.818 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.952 -9.324 -14.522 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.425 -10.047 -15.038 1.00 0.00 H new ATOM 1615 N HIS A 107 12.764 -1.840 -15.446 1.00 0.00 N ATOM 1616 CA HIS A 107 14.074 -1.281 -15.319 1.00 0.00 C ATOM 1617 C HIS A 107 14.053 -0.123 -14.381 1.00 0.00 C ATOM 1618 O HIS A 107 15.057 0.222 -13.761 1.00 0.00 O ATOM 1619 CB HIS A 107 14.553 -0.842 -16.713 1.00 0.00 C ATOM 1620 CG HIS A 107 15.982 -0.389 -16.674 1.00 0.00 C ATOM 1621 ND1 HIS A 107 17.023 -1.080 -16.086 1.00 0.00 N ATOM 1622 CD2 HIS A 107 16.637 0.653 -17.253 1.00 0.00 C ATOM 1623 CE1 HIS A 107 18.176 -0.428 -16.394 1.00 0.00 C ATOM 1624 NE2 HIS A 107 18.014 0.640 -17.152 1.00 0.00 N ATOM 0 H HIS A 107 12.223 -1.452 -16.219 1.00 0.00 H new ATOM 0 HA HIS A 107 14.760 -2.025 -14.914 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.450 -1.670 -17.414 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.921 -0.033 -17.080 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.110 1.446 -17.763 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.144 -0.757 -16.047 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.707 1.274 -17.549 1.00 0.00 H new ATOM 1632 N VAL A 108 12.937 0.617 -14.255 1.00 0.00 N ATOM 1633 CA VAL A 108 12.600 1.609 -13.283 1.00 0.00 C ATOM 1634 C VAL A 108 12.435 0.996 -11.935 1.00 0.00 C ATOM 1635 O VAL A 108 13.074 1.370 -10.953 1.00 0.00 O ATOM 1636 CB VAL A 108 11.323 2.367 -13.494 1.00 0.00 C ATOM 1637 CG1 VAL A 108 11.311 3.609 -12.588 1.00 0.00 C ATOM 1638 CG2 VAL A 108 11.259 2.881 -14.941 1.00 0.00 C ATOM 0 H VAL A 108 12.176 0.500 -14.924 1.00 0.00 H new ATOM 0 HA VAL A 108 13.437 2.301 -13.380 1.00 0.00 H new ATOM 0 HB VAL A 108 10.487 1.703 -13.274 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.384 4.161 -12.740 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.382 3.299 -11.545 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.159 4.248 -12.836 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.330 3.431 -15.091 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.106 3.540 -15.131 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.296 2.036 -15.629 1.00 0.00 H new ATOM 1648 N MET A 109 11.631 -0.083 -11.915 1.00 0.00 N ATOM 1649 CA MET A 109 11.429 -0.812 -10.702 1.00 0.00 C ATOM 1650 C MET A 109 12.668 -1.425 -10.145 1.00 0.00 C ATOM 1651 O MET A 109 12.710 -1.770 -8.965 1.00 0.00 O ATOM 1652 CB MET A 109 10.441 -1.982 -10.846 1.00 0.00 C ATOM 1653 CG MET A 109 9.006 -1.553 -10.538 1.00 0.00 C ATOM 1654 SD MET A 109 8.368 -0.098 -11.422 1.00 0.00 S ATOM 1655 CE MET A 109 6.598 -0.285 -11.061 1.00 0.00 C ATOM 0 H MET A 109 11.128 -0.446 -12.725 1.00 0.00 H new ATOM 0 HA MET A 109 11.043 -0.039 -10.038 1.00 0.00 H new ATOM 0 HB2 MET A 109 10.492 -2.379 -11.860 1.00 0.00 H new ATOM 0 HB3 MET A 109 10.732 -2.789 -10.173 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.348 -2.395 -10.753 1.00 0.00 H new ATOM 0 HG3 MET A 109 8.934 -1.357 -9.468 1.00 0.00 H new ATOM 0 HE1 MET A 109 6.043 0.528 -11.529 1.00 0.00 H new ATOM 0 HE2 MET A 109 6.245 -1.238 -11.455 1.00 0.00 H new ATOM 0 HE3 MET A 109 6.442 -0.258 -9.983 1.00 0.00 H new ATOM 1665 N THR A 110 13.711 -1.676 -10.956 1.00 0.00 N ATOM 1666 CA THR A 110 14.972 -2.104 -10.435 1.00 0.00 C ATOM 1667 C THR A 110 15.718 -1.000 -9.768 1.00 0.00 C ATOM 1668 O THR A 110 16.407 -1.232 -8.777 1.00 0.00 O ATOM 1669 CB THR A 110 15.882 -2.598 -11.519 1.00 0.00 C ATOM 1670 OG1 THR A 110 15.302 -3.711 -12.183 1.00 0.00 O ATOM 1671 CG2 THR A 110 17.309 -2.939 -11.058 1.00 0.00 C ATOM 0 H THR A 110 13.681 -1.583 -11.971 1.00 0.00 H new ATOM 0 HA THR A 110 14.721 -2.892 -9.725 1.00 0.00 H new ATOM 0 HB THR A 110 15.991 -1.760 -12.207 1.00 0.00 H new ATOM 0 HG1 THR A 110 14.482 -3.429 -12.639 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.893 -3.287 -11.910 1.00 0.00 H new ATOM 0 HG22 THR A 110 17.777 -2.050 -10.636 1.00 0.00 H new ATOM 0 HG23 THR A 110 17.269 -3.722 -10.301 1.00 0.00 H new ATOM 1679 N ASN A 111 15.601 0.253 -10.243 1.00 0.00 N ATOM 1680 CA ASN A 111 16.421 1.335 -9.792 1.00 0.00 C ATOM 1681 C ASN A 111 15.676 2.276 -8.910 1.00 0.00 C ATOM 1682 O ASN A 111 15.644 3.481 -9.155 1.00 0.00 O ATOM 1683 CB ASN A 111 17.013 2.039 -11.025 1.00 0.00 C ATOM 1684 CG ASN A 111 18.051 1.145 -11.688 1.00 0.00 C ATOM 1685 OD1 ASN A 111 19.150 1.035 -11.148 1.00 0.00 O ATOM 1686 ND2 ASN A 111 17.732 0.416 -12.791 1.00 0.00 N ATOM 0 H ASN A 111 14.922 0.520 -10.956 1.00 0.00 H new ATOM 0 HA ASN A 111 17.230 0.944 -9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 111 16.220 2.276 -11.734 1.00 0.00 H new ATOM 0 HB3 ASN A 111 17.470 2.984 -10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.410 -0.236 -13.185 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.815 0.522 -13.224 1.00 0.00 H new ATOM 1693 N LEU A 112 14.904 1.752 -7.941 1.00 0.00 N ATOM 1694 CA LEU A 112 13.933 2.471 -7.176 1.00 0.00 C ATOM 1695 C LEU A 112 14.154 2.435 -5.702 1.00 0.00 C ATOM 1696 O LEU A 112 14.192 3.523 -5.130 1.00 0.00 O ATOM 1697 CB LEU A 112 12.528 2.007 -7.595 1.00 0.00 C ATOM 1698 CG LEU A 112 11.407 2.930 -7.088 1.00 0.00 C ATOM 1699 CD1 LEU A 112 11.497 4.348 -7.678 1.00 0.00 C ATOM 1700 CD2 LEU A 112 10.018 2.443 -7.533 1.00 0.00 C ATOM 0 H LEU A 112 14.962 0.769 -7.677 1.00 0.00 H new ATOM 0 HA LEU A 112 14.043 3.530 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.480 1.952 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 112 12.358 0.999 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 112 11.532 2.925 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.682 4.957 -7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.451 4.797 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.422 4.296 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.255 3.123 -7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.973 2.418 -8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.840 1.442 -7.139 1.00 0.00 H new ATOM 1712 N GLY A 113 14.215 1.287 -5.004 1.00 0.00 N ATOM 1713 CA GLY A 113 14.058 1.275 -3.582 1.00 0.00 C ATOM 1714 C GLY A 113 14.135 -0.161 -3.190 1.00 0.00 C ATOM 1715 O GLY A 113 15.165 -0.829 -3.273 1.00 0.00 O ATOM 0 H GLY A 113 14.372 0.370 -5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 113 14.840 1.858 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 113 13.104 1.712 -3.288 1.00 0.00 H new ATOM 1719 N GLU A 114 12.988 -0.800 -2.899 1.00 0.00 N ATOM 1720 CA GLU A 114 12.791 -2.185 -2.604 1.00 0.00 C ATOM 1721 C GLU A 114 12.830 -2.996 -3.854 1.00 0.00 C ATOM 1722 O GLU A 114 12.413 -2.615 -4.947 1.00 0.00 O ATOM 1723 CB GLU A 114 11.412 -2.376 -1.950 1.00 0.00 C ATOM 1724 CG GLU A 114 11.204 -1.599 -0.648 1.00 0.00 C ATOM 1725 CD GLU A 114 9.767 -1.553 -0.150 1.00 0.00 C ATOM 1726 OE1 GLU A 114 9.206 -2.601 0.270 1.00 0.00 O ATOM 1727 OE2 GLU A 114 9.139 -0.461 -0.155 1.00 0.00 O ATOM 0 H GLU A 114 12.106 -0.289 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 114 13.585 -2.511 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.643 -2.076 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.264 -3.437 -1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.827 -2.045 0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 114 11.556 -0.577 -0.792 1.00 0.00 H new ATOM 1734 N LYS A 115 13.326 -4.240 -3.734 1.00 0.00 N ATOM 1735 CA LYS A 115 13.842 -4.967 -4.852 1.00 0.00 C ATOM 1736 C LYS A 115 12.957 -6.134 -5.125 1.00 0.00 C ATOM 1737 O LYS A 115 12.706 -7.049 -4.342 1.00 0.00 O ATOM 1738 CB LYS A 115 15.215 -5.553 -4.482 1.00 0.00 C ATOM 1739 CG LYS A 115 16.314 -4.626 -3.960 1.00 0.00 C ATOM 1740 CD LYS A 115 17.447 -5.350 -3.229 1.00 0.00 C ATOM 1741 CE LYS A 115 18.872 -4.918 -3.580 1.00 0.00 C ATOM 1742 NZ LYS A 115 19.136 -3.713 -2.763 1.00 0.00 N ATOM 0 H LYS A 115 13.370 -4.748 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 115 13.906 -4.297 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.049 -6.321 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.605 -6.056 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.734 -4.070 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.868 -3.896 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.303 -5.213 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.355 -6.417 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.588 -5.709 -3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.964 -4.698 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 20.097 -3.366 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 18.446 -2.973 -3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 19.051 -3.952 -1.754 1.00 0.00 H new ATOM 1756 N LEU A 116 12.359 -6.162 -6.330 1.00 0.00 N ATOM 1757 CA LEU A 116 11.455 -7.206 -6.701 1.00 0.00 C ATOM 1758 C LEU A 116 12.190 -8.156 -7.584 1.00 0.00 C ATOM 1759 O LEU A 116 12.974 -7.651 -8.386 1.00 0.00 O ATOM 1760 CB LEU A 116 10.336 -6.558 -7.534 1.00 0.00 C ATOM 1761 CG LEU A 116 9.649 -5.364 -6.851 1.00 0.00 C ATOM 1762 CD1 LEU A 116 8.543 -4.684 -7.675 1.00 0.00 C ATOM 1763 CD2 LEU A 116 9.101 -5.605 -5.434 1.00 0.00 C ATOM 0 H LEU A 116 12.503 -5.456 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 116 11.057 -7.720 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.753 -6.227 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.584 -7.314 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 116 10.506 -4.695 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.122 -3.855 -7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.963 -4.307 -8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.758 -5.407 -7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.641 -4.690 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.356 -6.400 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.917 -5.896 -4.773 1.00 0.00 H new ATOM 1775 N THR A 117 11.996 -9.483 -7.493 1.00 0.00 N ATOM 1776 CA THR A 117 12.603 -10.379 -8.428 1.00 0.00 C ATOM 1777 C THR A 117 11.770 -10.292 -9.661 1.00 0.00 C ATOM 1778 O THR A 117 10.743 -9.621 -9.753 1.00 0.00 O ATOM 1779 CB THR A 117 12.654 -11.790 -7.920 1.00 0.00 C ATOM 1780 OG1 THR A 117 11.449 -12.117 -7.245 1.00 0.00 O ATOM 1781 CG2 THR A 117 13.776 -11.814 -6.868 1.00 0.00 C ATOM 0 H THR A 117 11.424 -9.933 -6.779 1.00 0.00 H new ATOM 0 HA THR A 117 13.641 -10.100 -8.609 1.00 0.00 H new ATOM 0 HB THR A 117 12.808 -12.487 -8.744 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.496 -13.041 -6.921 1.00 0.00 H new ATOM 0 HG21 THR A 117 13.867 -12.819 -6.456 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.718 -11.527 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.539 -11.113 -6.067 1.00 0.00 H new ATOM 1789 N ASP A 118 12.375 -10.915 -10.688 1.00 0.00 N ATOM 1790 CA ASP A 118 11.813 -11.198 -11.972 1.00 0.00 C ATOM 1791 C ASP A 118 10.463 -11.829 -11.974 1.00 0.00 C ATOM 1792 O ASP A 118 9.543 -11.160 -12.442 1.00 0.00 O ATOM 1793 CB ASP A 118 12.877 -11.944 -12.795 1.00 0.00 C ATOM 1794 CG ASP A 118 13.981 -10.967 -13.172 1.00 0.00 C ATOM 1795 OD1 ASP A 118 13.686 -10.107 -14.044 1.00 0.00 O ATOM 1796 OD2 ASP A 118 15.121 -11.059 -12.642 1.00 0.00 O ATOM 0 H ASP A 118 13.336 -11.247 -10.612 1.00 0.00 H new ATOM 0 HA ASP A 118 11.574 -10.250 -12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.288 -12.773 -12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.429 -12.371 -13.692 1.00 0.00 H new ATOM 1801 N GLU A 119 10.218 -13.052 -11.471 1.00 0.00 N ATOM 1802 CA GLU A 119 8.880 -13.555 -11.438 1.00 0.00 C ATOM 1803 C GLU A 119 7.814 -12.787 -10.735 1.00 0.00 C ATOM 1804 O GLU A 119 6.691 -12.604 -11.202 1.00 0.00 O ATOM 1805 CB GLU A 119 8.825 -15.025 -10.989 1.00 0.00 C ATOM 1806 CG GLU A 119 9.455 -16.055 -11.929 1.00 0.00 C ATOM 1807 CD GLU A 119 9.204 -17.444 -11.360 1.00 0.00 C ATOM 1808 OE1 GLU A 119 8.160 -18.093 -11.634 1.00 0.00 O ATOM 1809 OE2 GLU A 119 10.061 -17.929 -10.573 1.00 0.00 O ATOM 0 H GLU A 119 10.928 -13.680 -11.095 1.00 0.00 H new ATOM 0 HA GLU A 119 8.618 -13.429 -12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.317 -15.103 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 119 7.780 -15.296 -10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.024 -15.971 -12.927 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.525 -15.874 -12.027 1.00 0.00 H new ATOM 1816 N GLU A 120 8.259 -12.170 -9.625 1.00 0.00 N ATOM 1817 CA GLU A 120 7.523 -11.231 -8.836 1.00 0.00 C ATOM 1818 C GLU A 120 7.074 -10.079 -9.667 1.00 0.00 C ATOM 1819 O GLU A 120 5.883 -9.771 -9.681 1.00 0.00 O ATOM 1820 CB GLU A 120 8.462 -10.733 -7.725 1.00 0.00 C ATOM 1821 CG GLU A 120 7.761 -9.964 -6.603 1.00 0.00 C ATOM 1822 CD GLU A 120 6.775 -10.774 -5.773 1.00 0.00 C ATOM 1823 OE1 GLU A 120 7.214 -11.669 -5.001 1.00 0.00 O ATOM 1824 OE2 GLU A 120 5.549 -10.499 -5.867 1.00 0.00 O ATOM 0 H GLU A 120 9.195 -12.339 -9.255 1.00 0.00 H new ATOM 0 HA GLU A 120 6.635 -11.706 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.981 -11.589 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.222 -10.091 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.520 -9.555 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.232 -9.118 -7.041 1.00 0.00 H new ATOM 1831 N VAL A 121 7.983 -9.347 -10.336 1.00 0.00 N ATOM 1832 CA VAL A 121 7.559 -8.280 -11.188 1.00 0.00 C ATOM 1833 C VAL A 121 6.720 -8.707 -12.343 1.00 0.00 C ATOM 1834 O VAL A 121 5.713 -8.058 -12.620 1.00 0.00 O ATOM 1835 CB VAL A 121 8.655 -7.330 -11.571 1.00 0.00 C ATOM 1836 CG1 VAL A 121 9.210 -7.644 -12.971 1.00 0.00 C ATOM 1837 CG2 VAL A 121 8.184 -5.868 -11.495 1.00 0.00 C ATOM 0 H VAL A 121 8.992 -9.489 -10.289 1.00 0.00 H new ATOM 0 HA VAL A 121 6.885 -7.700 -10.557 1.00 0.00 H new ATOM 0 HB VAL A 121 9.461 -7.465 -10.850 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.002 -6.936 -13.216 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.612 -8.657 -12.984 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.410 -7.561 -13.707 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.003 -5.207 -11.779 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.345 -5.720 -12.176 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.869 -5.640 -10.477 1.00 0.00 H new ATOM 1847 N ASP A 122 7.043 -9.839 -12.993 1.00 0.00 N ATOM 1848 CA ASP A 122 6.260 -10.278 -14.106 1.00 0.00 C ATOM 1849 C ASP A 122 4.827 -10.554 -13.805 1.00 0.00 C ATOM 1850 O ASP A 122 3.910 -10.124 -14.503 1.00 0.00 O ATOM 1851 CB ASP A 122 6.937 -11.511 -14.729 1.00 0.00 C ATOM 1852 CG ASP A 122 8.063 -10.966 -15.595 1.00 0.00 C ATOM 1853 OD1 ASP A 122 7.757 -10.175 -16.526 1.00 0.00 O ATOM 1854 OD2 ASP A 122 9.230 -11.367 -15.341 1.00 0.00 O ATOM 0 H ASP A 122 7.831 -10.441 -12.754 1.00 0.00 H new ATOM 0 HA ASP A 122 6.228 -9.446 -14.810 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.323 -12.178 -13.958 1.00 0.00 H new ATOM 0 HB3 ASP A 122 6.229 -12.088 -15.324 1.00 0.00 H new ATOM 1859 N GLU A 123 4.479 -11.253 -12.709 1.00 0.00 N ATOM 1860 CA GLU A 123 3.184 -11.382 -12.117 1.00 0.00 C ATOM 1861 C GLU A 123 2.430 -10.151 -11.751 1.00 0.00 C ATOM 1862 O GLU A 123 1.209 -10.035 -11.838 1.00 0.00 O ATOM 1863 CB GLU A 123 3.178 -12.383 -10.949 1.00 0.00 C ATOM 1864 CG GLU A 123 1.942 -13.285 -10.908 1.00 0.00 C ATOM 1865 CD GLU A 123 1.949 -14.285 -12.055 1.00 0.00 C ATOM 1866 OE1 GLU A 123 2.732 -15.266 -12.171 1.00 0.00 O ATOM 1867 OE2 GLU A 123 1.036 -14.179 -12.917 1.00 0.00 O ATOM 0 H GLU A 123 5.179 -11.780 -12.187 1.00 0.00 H new ATOM 0 HA GLU A 123 2.616 -11.764 -12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.069 -13.008 -11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.244 -11.832 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.910 -13.818 -9.958 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.041 -12.674 -10.961 1.00 0.00 H new ATOM 1874 N MET A 124 3.200 -9.107 -11.395 1.00 0.00 N ATOM 1875 CA MET A 124 2.725 -7.830 -10.960 1.00 0.00 C ATOM 1876 C MET A 124 2.247 -7.019 -12.114 1.00 0.00 C ATOM 1877 O MET A 124 1.190 -6.391 -12.086 1.00 0.00 O ATOM 1878 CB MET A 124 3.815 -7.176 -10.093 1.00 0.00 C ATOM 1879 CG MET A 124 3.228 -6.031 -9.267 1.00 0.00 C ATOM 1880 SD MET A 124 2.996 -4.500 -10.220 1.00 0.00 S ATOM 1881 CE MET A 124 4.708 -3.939 -10.449 1.00 0.00 C ATOM 0 H MET A 124 4.219 -9.159 -11.412 1.00 0.00 H new ATOM 0 HA MET A 124 1.842 -7.924 -10.328 1.00 0.00 H new ATOM 0 HB2 MET A 124 4.256 -7.921 -9.431 1.00 0.00 H new ATOM 0 HB3 MET A 124 4.616 -6.800 -10.729 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.268 -6.344 -8.856 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.885 -5.828 -8.422 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.709 -2.910 -10.808 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.239 -3.992 -9.498 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.206 -4.578 -11.179 1.00 0.00 H new ATOM 1891 N ILE A 125 3.073 -6.961 -13.174 1.00 0.00 N ATOM 1892 CA ILE A 125 2.808 -6.419 -14.471 1.00 0.00 C ATOM 1893 C ILE A 125 1.624 -7.065 -15.104 1.00 0.00 C ATOM 1894 O ILE A 125 0.799 -6.361 -15.684 1.00 0.00 O ATOM 1895 CB ILE A 125 4.028 -6.390 -15.343 1.00 0.00 C ATOM 1896 CG1 ILE A 125 5.143 -5.616 -14.620 1.00 0.00 C ATOM 1897 CG2 ILE A 125 3.694 -5.891 -16.759 1.00 0.00 C ATOM 1898 CD1 ILE A 125 6.570 -5.703 -15.161 1.00 0.00 C ATOM 0 H ILE A 125 4.021 -7.332 -13.114 1.00 0.00 H new ATOM 0 HA ILE A 125 2.538 -5.371 -14.339 1.00 0.00 H new ATOM 0 HB ILE A 125 4.409 -7.398 -15.506 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.859 -4.564 -14.606 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.162 -5.955 -13.584 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.600 -5.882 -17.365 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.959 -6.555 -17.215 1.00 0.00 H new ATOM 0 HG23 ILE A 125 3.286 -4.882 -16.702 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.232 -5.101 -14.539 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.902 -6.741 -15.146 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.595 -5.329 -16.184 1.00 0.00 H new ATOM 1910 N ARG A 126 1.509 -8.392 -14.915 1.00 0.00 N ATOM 1911 CA ARG A 126 0.430 -9.180 -15.426 1.00 0.00 C ATOM 1912 C ARG A 126 -0.901 -8.841 -14.848 1.00 0.00 C ATOM 1913 O ARG A 126 -1.975 -8.897 -15.446 1.00 0.00 O ATOM 1914 CB ARG A 126 0.600 -10.705 -15.331 1.00 0.00 C ATOM 1915 CG ARG A 126 -0.331 -11.524 -16.228 1.00 0.00 C ATOM 1916 CD ARG A 126 -1.086 -12.622 -15.476 1.00 0.00 C ATOM 1917 NE ARG A 126 -2.214 -12.088 -14.662 1.00 0.00 N ATOM 1918 CZ ARG A 126 -2.300 -12.058 -13.300 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -1.316 -12.561 -12.498 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -3.351 -11.437 -12.691 1.00 0.00 N ATOM 0 H ARG A 126 2.192 -8.936 -14.387 1.00 0.00 H new ATOM 0 HA ARG A 126 0.467 -8.901 -16.479 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.631 -10.955 -15.581 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.440 -11.008 -14.296 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -1.051 -10.855 -16.699 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.254 -11.978 -17.028 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.471 -13.348 -16.192 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.393 -13.154 -14.824 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.006 -11.704 -15.177 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.482 -12.977 -12.913 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.415 -12.521 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.077 -10.993 -13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.411 -11.417 -11.673 1.00 0.00 H new ATOM 1934 N GLU A 127 -0.820 -8.535 -13.541 1.00 0.00 N ATOM 1935 CA GLU A 127 -1.873 -8.018 -12.723 1.00 0.00 C ATOM 1936 C GLU A 127 -2.290 -6.627 -13.055 1.00 0.00 C ATOM 1937 O GLU A 127 -3.466 -6.277 -13.146 1.00 0.00 O ATOM 1938 CB GLU A 127 -1.576 -8.120 -11.217 1.00 0.00 C ATOM 1939 CG GLU A 127 -2.702 -7.468 -10.412 1.00 0.00 C ATOM 1940 CD GLU A 127 -2.686 -7.956 -8.970 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -2.007 -8.964 -8.637 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -3.417 -7.336 -8.152 1.00 0.00 O ATOM 0 H GLU A 127 0.047 -8.659 -13.018 1.00 0.00 H new ATOM 0 HA GLU A 127 -2.712 -8.672 -12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.472 -9.166 -10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.628 -7.632 -10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.592 -6.384 -10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.664 -7.700 -10.869 1.00 0.00 H new ATOM 1949 N ALA A 128 -1.335 -5.730 -13.359 1.00 0.00 N ATOM 1950 CA ALA A 128 -1.611 -4.367 -13.694 1.00 0.00 C ATOM 1951 C ALA A 128 -2.241 -4.141 -15.025 1.00 0.00 C ATOM 1952 O ALA A 128 -3.135 -3.316 -15.207 1.00 0.00 O ATOM 1953 CB ALA A 128 -0.302 -3.569 -13.559 1.00 0.00 C ATOM 0 H ALA A 128 -0.341 -5.959 -13.372 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.371 -4.021 -12.994 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.485 -2.524 -13.809 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.062 -3.638 -12.534 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.446 -3.979 -14.238 1.00 0.00 H new ATOM 1959 N ASP A 129 -1.732 -4.765 -16.102 1.00 0.00 N ATOM 1960 CA ASP A 129 -2.120 -4.492 -17.452 1.00 0.00 C ATOM 1961 C ASP A 129 -3.471 -5.035 -17.767 1.00 0.00 C ATOM 1962 O ASP A 129 -3.707 -6.215 -18.021 1.00 0.00 O ATOM 1963 CB ASP A 129 -1.150 -4.896 -18.575 1.00 0.00 C ATOM 1964 CG ASP A 129 -1.350 -4.217 -19.922 1.00 0.00 C ATOM 1965 OD1 ASP A 129 -2.281 -4.456 -20.738 1.00 0.00 O ATOM 1966 OD2 ASP A 129 -0.560 -3.282 -20.220 1.00 0.00 O ATOM 0 H ASP A 129 -1.019 -5.491 -16.029 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.113 -3.402 -17.454 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -0.134 -4.692 -18.238 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -1.227 -5.973 -18.721 1.00 0.00 H new ATOM 1971 N ILE A 130 -4.467 -4.133 -17.708 1.00 0.00 N ATOM 1972 CA ILE A 130 -5.833 -4.433 -18.007 1.00 0.00 C ATOM 1973 C ILE A 130 -6.181 -4.908 -19.375 1.00 0.00 C ATOM 1974 O ILE A 130 -7.133 -5.667 -19.547 1.00 0.00 O ATOM 1975 CB ILE A 130 -6.670 -3.254 -17.607 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -7.936 -3.745 -16.885 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -6.871 -2.108 -18.613 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -8.562 -2.850 -15.816 1.00 0.00 C ATOM 0 H ILE A 130 -4.316 -3.160 -17.443 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.049 -5.327 -17.422 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.053 -2.693 -16.904 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -8.696 -3.937 -17.643 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.701 -4.702 -16.419 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -7.499 -1.338 -18.166 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -5.903 -1.680 -18.875 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -7.353 -2.493 -19.512 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -9.445 -3.339 -15.404 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -7.839 -2.675 -15.019 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.849 -1.897 -16.261 1.00 0.00 H new ATOM 1990 N ASP A 131 -5.446 -4.455 -20.407 1.00 0.00 N ATOM 1991 CA ASP A 131 -5.495 -4.944 -21.750 1.00 0.00 C ATOM 1992 C ASP A 131 -5.047 -6.352 -21.942 1.00 0.00 C ATOM 1993 O ASP A 131 -5.645 -7.100 -22.715 1.00 0.00 O ATOM 1994 CB ASP A 131 -4.838 -4.107 -22.861 1.00 0.00 C ATOM 1995 CG ASP A 131 -5.302 -2.658 -22.836 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -6.492 -2.386 -23.149 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -4.505 -1.795 -22.378 1.00 0.00 O ATOM 0 H ASP A 131 -4.773 -3.697 -20.294 1.00 0.00 H new ATOM 0 HA ASP A 131 -6.575 -4.860 -21.875 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.754 -4.142 -22.748 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.072 -4.545 -23.831 1.00 0.00 H new ATOM 2002 N GLY A 132 -3.924 -6.765 -21.328 1.00 0.00 N ATOM 2003 CA GLY A 132 -3.079 -7.848 -21.727 1.00 0.00 C ATOM 2004 C GLY A 132 -2.246 -7.566 -22.930 1.00 0.00 C ATOM 2005 O GLY A 132 -1.725 -8.473 -23.577 1.00 0.00 O ATOM 0 H GLY A 132 -3.581 -6.304 -20.485 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -2.421 -8.105 -20.897 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -3.699 -8.723 -21.926 1.00 0.00 H new ATOM 2009 N ASP A 133 -1.934 -6.267 -23.092 1.00 0.00 N ATOM 2010 CA ASP A 133 -1.150 -5.914 -24.234 1.00 0.00 C ATOM 2011 C ASP A 133 0.280 -5.900 -23.815 1.00 0.00 C ATOM 2012 O ASP A 133 1.169 -6.348 -24.538 1.00 0.00 O ATOM 2013 CB ASP A 133 -1.715 -4.746 -25.059 1.00 0.00 C ATOM 2014 CG ASP A 133 -1.396 -3.373 -24.485 1.00 0.00 C ATOM 2015 OD1 ASP A 133 -1.323 -3.280 -23.231 1.00 0.00 O ATOM 2016 OD2 ASP A 133 -1.421 -2.413 -25.301 1.00 0.00 O ATOM 0 H ASP A 133 -2.205 -5.502 -22.474 1.00 0.00 H new ATOM 0 HA ASP A 133 -1.213 -6.668 -25.019 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -1.319 -4.806 -26.073 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -2.797 -4.856 -25.132 1.00 0.00 H new ATOM 2021 N GLY A 134 0.509 -5.282 -22.643 1.00 0.00 N ATOM 2022 CA GLY A 134 1.771 -5.410 -21.983 1.00 0.00 C ATOM 2023 C GLY A 134 2.632 -4.195 -21.919 1.00 0.00 C ATOM 2024 O GLY A 134 3.732 -4.148 -21.371 1.00 0.00 O ATOM 0 H GLY A 134 -0.172 -4.699 -22.156 1.00 0.00 H new ATOM 0 HA2 GLY A 134 1.586 -5.747 -20.963 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.335 -6.198 -22.482 1.00 0.00 H new ATOM 2028 N GLN A 135 2.047 -3.158 -22.545 1.00 0.00 N ATOM 2029 CA GLN A 135 2.415 -1.801 -22.283 1.00 0.00 C ATOM 2030 C GLN A 135 1.401 -0.999 -21.541 1.00 0.00 C ATOM 2031 O GLN A 135 0.219 -0.885 -21.863 1.00 0.00 O ATOM 2032 CB GLN A 135 2.897 -1.184 -23.607 1.00 0.00 C ATOM 2033 CG GLN A 135 1.803 -1.053 -24.668 1.00 0.00 C ATOM 2034 CD GLN A 135 2.274 -0.618 -26.049 1.00 0.00 C ATOM 2035 OE1 GLN A 135 3.078 -1.242 -26.739 1.00 0.00 O ATOM 2036 NE2 GLN A 135 1.779 0.590 -26.432 1.00 0.00 N ATOM 0 H GLN A 135 1.309 -3.262 -23.242 1.00 0.00 H new ATOM 0 HA GLN A 135 3.235 -1.788 -21.565 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.313 -0.197 -23.406 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.706 -1.795 -24.008 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.297 -2.014 -24.762 1.00 0.00 H new ATOM 0 HG3 GLN A 135 1.062 -0.336 -24.314 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.113 1.081 -25.835 1.00 0.00 H new ATOM 0 HE22 GLN A 135 2.074 1.005 -27.316 1.00 0.00 H new ATOM 2045 N VAL A 136 1.882 -0.261 -20.525 1.00 0.00 N ATOM 2046 CA VAL A 136 1.121 0.184 -19.398 1.00 0.00 C ATOM 2047 C VAL A 136 0.779 1.582 -19.783 1.00 0.00 C ATOM 2048 O VAL A 136 1.674 2.283 -20.253 1.00 0.00 O ATOM 2049 CB VAL A 136 1.861 0.152 -18.094 1.00 0.00 C ATOM 2050 CG1 VAL A 136 1.708 1.236 -17.014 1.00 0.00 C ATOM 2051 CG2 VAL A 136 1.484 -1.170 -17.403 1.00 0.00 C ATOM 0 H VAL A 136 2.855 0.042 -20.488 1.00 0.00 H new ATOM 0 HA VAL A 136 0.267 -0.466 -19.209 1.00 0.00 H new ATOM 0 HB VAL A 136 2.883 0.314 -18.438 1.00 0.00 H new ATOM 0 HG11 VAL A 136 2.344 0.994 -16.163 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.003 2.202 -17.424 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.669 1.282 -16.689 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.000 -1.240 -16.445 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.407 -1.200 -17.238 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.778 -2.008 -18.035 1.00 0.00 H new ATOM 2061 N ASN A 137 -0.508 1.966 -19.705 1.00 0.00 N ATOM 2062 CA ASN A 137 -0.956 3.314 -19.875 1.00 0.00 C ATOM 2063 C ASN A 137 -1.091 3.910 -18.516 1.00 0.00 C ATOM 2064 O ASN A 137 -0.771 3.284 -17.506 1.00 0.00 O ATOM 2065 CB ASN A 137 -2.187 3.476 -20.782 1.00 0.00 C ATOM 2066 CG ASN A 137 -3.600 3.378 -20.226 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -3.831 3.480 -19.022 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -4.594 3.009 -21.078 1.00 0.00 N ATOM 0 H ASN A 137 -1.267 1.311 -19.516 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.213 3.875 -20.442 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.102 4.451 -21.261 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.103 2.726 -21.568 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.529 2.817 -20.718 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.404 2.924 -22.077 1.00 0.00 H new ATOM 2075 N TYR A 138 -1.484 5.188 -18.371 1.00 0.00 N ATOM 2076 CA TYR A 138 -1.599 5.812 -17.090 1.00 0.00 C ATOM 2077 C TYR A 138 -2.571 5.202 -16.139 1.00 0.00 C ATOM 2078 O TYR A 138 -2.258 4.955 -14.975 1.00 0.00 O ATOM 2079 CB TYR A 138 -1.696 7.336 -17.273 1.00 0.00 C ATOM 2080 CG TYR A 138 -1.709 8.111 -16.001 1.00 0.00 C ATOM 2081 CD1 TYR A 138 -0.637 7.914 -15.163 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -2.834 8.756 -15.544 1.00 0.00 C ATOM 2083 CE1 TYR A 138 -0.588 8.522 -13.931 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -2.759 9.353 -14.308 1.00 0.00 C ATOM 2085 CZ TYR A 138 -1.691 9.191 -13.456 1.00 0.00 C ATOM 2086 OH TYR A 138 -1.771 9.611 -12.111 1.00 0.00 O ATOM 0 H TYR A 138 -1.725 5.796 -19.153 1.00 0.00 H new ATOM 0 HA TYR A 138 -0.679 5.602 -16.544 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -0.854 7.671 -17.879 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -2.603 7.565 -17.833 1.00 0.00 H new ATOM 0 HD1 TYR A 138 0.175 7.275 -15.476 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -3.739 8.792 -16.132 1.00 0.00 H new ATOM 0 HE1 TYR A 138 0.314 8.474 -13.338 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.579 9.980 -13.990 1.00 0.00 H new ATOM 0 HH TYR A 138 -2.625 10.068 -11.961 1.00 0.00 H new ATOM 2096 N GLU A 139 -3.797 4.916 -16.610 1.00 0.00 N ATOM 2097 CA GLU A 139 -4.790 4.326 -15.766 1.00 0.00 C ATOM 2098 C GLU A 139 -4.442 2.941 -15.343 1.00 0.00 C ATOM 2099 O GLU A 139 -4.861 2.480 -14.282 1.00 0.00 O ATOM 2100 CB GLU A 139 -6.202 4.440 -16.365 1.00 0.00 C ATOM 2101 CG GLU A 139 -7.361 4.314 -15.374 1.00 0.00 C ATOM 2102 CD GLU A 139 -8.723 4.553 -16.010 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -8.849 5.628 -16.655 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -9.638 3.696 -15.885 1.00 0.00 O ATOM 0 H GLU A 139 -4.100 5.091 -17.568 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.803 4.912 -14.847 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.285 5.402 -16.870 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.316 3.669 -17.127 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.344 3.319 -14.930 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.216 5.027 -14.563 1.00 0.00 H new ATOM 2111 N GLU A 140 -3.562 2.255 -16.094 1.00 0.00 N ATOM 2112 CA GLU A 140 -2.879 1.061 -15.703 1.00 0.00 C ATOM 2113 C GLU A 140 -1.868 1.286 -14.632 1.00 0.00 C ATOM 2114 O GLU A 140 -1.828 0.625 -13.596 1.00 0.00 O ATOM 2115 CB GLU A 140 -2.300 0.365 -16.947 1.00 0.00 C ATOM 2116 CG GLU A 140 -3.452 0.133 -17.927 1.00 0.00 C ATOM 2117 CD GLU A 140 -2.896 -0.733 -19.049 1.00 0.00 C ATOM 2118 OE1 GLU A 140 -1.990 -0.308 -19.814 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -3.522 -1.747 -19.459 1.00 0.00 O ATOM 0 H GLU A 140 -3.312 2.555 -17.036 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.606 0.389 -15.246 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.526 0.981 -17.405 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.834 -0.581 -16.674 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.288 -0.362 -17.433 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.827 1.080 -18.317 1.00 0.00 H new ATOM 2126 N PHE A 141 -1.066 2.353 -14.799 1.00 0.00 N ATOM 2127 CA PHE A 141 -0.111 2.815 -13.840 1.00 0.00 C ATOM 2128 C PHE A 141 -0.651 3.245 -12.519 1.00 0.00 C ATOM 2129 O PHE A 141 -0.240 2.759 -11.467 1.00 0.00 O ATOM 2130 CB PHE A 141 0.859 3.872 -14.396 1.00 0.00 C ATOM 2131 CG PHE A 141 2.019 4.114 -13.492 1.00 0.00 C ATOM 2132 CD1 PHE A 141 2.998 3.193 -13.200 1.00 0.00 C ATOM 2133 CD2 PHE A 141 2.118 5.326 -12.851 1.00 0.00 C ATOM 2134 CE1 PHE A 141 4.081 3.420 -12.383 1.00 0.00 C ATOM 2135 CE2 PHE A 141 3.221 5.636 -12.091 1.00 0.00 C ATOM 2136 CZ PHE A 141 4.206 4.698 -11.893 1.00 0.00 C ATOM 0 H PHE A 141 -1.085 2.922 -15.646 1.00 0.00 H new ATOM 0 HA PHE A 141 0.448 1.902 -13.636 1.00 0.00 H new ATOM 0 HB2 PHE A 141 1.224 3.549 -15.371 1.00 0.00 H new ATOM 0 HB3 PHE A 141 0.322 4.808 -14.551 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.909 2.214 -13.648 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.318 6.045 -12.946 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.790 2.642 -12.141 1.00 0.00 H new ATOM 0 HE2 PHE A 141 3.314 6.617 -11.649 1.00 0.00 H new ATOM 0 HZ PHE A 141 5.094 4.970 -11.342 1.00 0.00 H new ATOM 2146 N VAL A 142 -1.736 4.040 -12.500 1.00 0.00 N ATOM 2147 CA VAL A 142 -2.427 4.422 -11.308 1.00 0.00 C ATOM 2148 C VAL A 142 -2.921 3.273 -10.498 1.00 0.00 C ATOM 2149 O VAL A 142 -2.853 3.277 -9.270 1.00 0.00 O ATOM 2150 CB VAL A 142 -3.679 5.121 -11.750 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -4.602 5.525 -10.588 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -3.474 6.461 -12.476 1.00 0.00 C ATOM 0 H VAL A 142 -2.147 4.431 -13.347 1.00 0.00 H new ATOM 0 HA VAL A 142 -1.729 5.008 -10.710 1.00 0.00 H new ATOM 0 HB VAL A 142 -4.098 4.360 -12.408 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -5.486 6.025 -10.983 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -4.904 4.634 -10.037 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.070 6.202 -9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -4.443 6.878 -12.750 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -2.953 7.156 -11.817 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.880 6.300 -13.376 1.00 0.00 H new ATOM 2162 N GLN A 143 -3.440 2.200 -11.121 1.00 0.00 N ATOM 2163 CA GLN A 143 -4.004 1.082 -10.432 1.00 0.00 C ATOM 2164 C GLN A 143 -2.924 0.291 -9.778 1.00 0.00 C ATOM 2165 O GLN A 143 -2.951 -0.100 -8.612 1.00 0.00 O ATOM 2166 CB GLN A 143 -4.584 0.062 -11.426 1.00 0.00 C ATOM 2167 CG GLN A 143 -5.314 -1.155 -10.852 1.00 0.00 C ATOM 2168 CD GLN A 143 -5.496 -2.259 -11.884 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -6.392 -2.039 -12.697 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -4.745 -3.393 -11.894 1.00 0.00 N ATOM 0 H GLN A 143 -3.468 2.108 -12.136 1.00 0.00 H new ATOM 0 HA GLN A 143 -4.744 1.493 -9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.276 0.590 -12.082 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.767 -0.300 -12.050 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -4.754 -1.544 -10.002 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.290 -0.847 -10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.013 -3.526 -11.196 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.914 -4.110 -12.599 1.00 0.00 H new ATOM 2179 N MET A 144 -1.770 0.139 -10.452 1.00 0.00 N ATOM 2180 CA MET A 144 -0.560 -0.471 -9.995 1.00 0.00 C ATOM 2181 C MET A 144 0.000 0.159 -8.766 1.00 0.00 C ATOM 2182 O MET A 144 0.348 -0.476 -7.771 1.00 0.00 O ATOM 2183 CB MET A 144 0.390 -0.433 -11.204 1.00 0.00 C ATOM 2184 CG MET A 144 1.651 -1.276 -11.002 1.00 0.00 C ATOM 2185 SD MET A 144 3.005 -0.710 -12.075 1.00 0.00 S ATOM 2186 CE MET A 144 2.107 -0.934 -13.637 1.00 0.00 C ATOM 0 H MET A 144 -1.678 0.477 -11.410 1.00 0.00 H new ATOM 0 HA MET A 144 -0.733 -1.496 -9.666 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.141 -0.789 -12.087 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.678 0.600 -11.400 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.964 -1.222 -9.959 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.429 -2.322 -11.214 1.00 0.00 H new ATOM 0 HE1 MET A 144 2.707 -0.546 -14.460 1.00 0.00 H new ATOM 0 HE2 MET A 144 1.915 -1.995 -13.797 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.160 -0.396 -13.593 1.00 0.00 H new ATOM 2196 N MET A 145 0.088 1.501 -8.747 1.00 0.00 N ATOM 2197 CA MET A 145 0.663 2.193 -7.635 1.00 0.00 C ATOM 2198 C MET A 145 -0.277 2.417 -6.501 1.00 0.00 C ATOM 2199 O MET A 145 0.180 2.595 -5.374 1.00 0.00 O ATOM 2200 CB MET A 145 1.221 3.533 -8.142 1.00 0.00 C ATOM 2201 CG MET A 145 2.354 3.387 -9.160 1.00 0.00 C ATOM 2202 SD MET A 145 4.021 3.418 -8.436 1.00 0.00 S ATOM 2203 CE MET A 145 4.430 1.649 -8.489 1.00 0.00 C ATOM 0 H MET A 145 -0.238 2.106 -9.500 1.00 0.00 H new ATOM 0 HA MET A 145 1.451 1.560 -7.228 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.411 4.105 -8.594 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.582 4.110 -7.291 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.223 2.449 -9.700 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.274 4.190 -9.892 1.00 0.00 H new ATOM 0 HE1 MET A 145 5.428 1.494 -8.078 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.704 1.090 -7.899 1.00 0.00 H new ATOM 0 HE3 MET A 145 4.404 1.300 -9.521 1.00 0.00 H new