USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 675 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 43 LYS NZ :NH3+ 151:sc= -1.3 (180deg=-0.0444) USER MOD Set 1.2: A 45 THR OG1 : rot -33:sc= -1.18 USER MOD Single : A 12 THR OG1 : rot 57:sc= 0.744 USER MOD Single : A 13 GLN : amide:sc= -0.116 K(o=-0.12,f=-2!) USER MOD Single : A 14 ASN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= 1.44 (180deg=1.3) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.501 F(o=-1.4,f=-0.5) USER MOD Single : A 25 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.988) USER MOD Single : A 28 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.7!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -52:sc= -0.833 USER MOD Single : A 35 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.091) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00126) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.0321 (180deg=-0.262) USER MOD Single : A 41 CYS SG : rot 127:sc= -4.87! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0.613 (180deg=0.534) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.891 K(o=0.89,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.411) USER MOD Single : A 56 TYR OH : rot 65:sc= 1.15 USER MOD Single : A 58 TYR OH : rot -124:sc= 0.994 USER MOD Single : A 59 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.64) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= -0.0372 (180deg=-1.68) USER MOD Single : A 74 SER OG : rot 38:sc= 0.0914 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 147.586 -8.073 9.980 1.00 0.00 N ATOM 50 CA GLU A 4 146.338 -8.830 9.978 1.00 0.00 C ATOM 51 C GLU A 4 145.259 -8.107 9.179 1.00 0.00 C ATOM 52 O GLU A 4 144.791 -7.040 9.573 1.00 0.00 O ATOM 53 CB GLU A 4 145.857 -9.063 11.411 1.00 0.00 C ATOM 54 CG GLU A 4 146.374 -10.353 12.024 1.00 0.00 C ATOM 55 CD GLU A 4 145.317 -11.077 12.836 1.00 0.00 C ATOM 56 OE1 GLU A 4 144.283 -11.467 12.253 1.00 0.00 O ATOM 57 OE2 GLU A 4 145.523 -11.255 14.056 1.00 0.00 O ATOM 0 HA GLU A 4 146.529 -9.792 9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 4 146.171 -8.224 12.032 1.00 0.00 H new ATOM 0 HB3 GLU A 4 144.767 -9.077 11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 4 146.731 -11.010 11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 4 147.229 -10.130 12.663 1.00 0.00 H new ATOM 64 N ILE A 5 144.869 -8.696 8.051 1.00 0.00 N ATOM 65 CA ILE A 5 143.847 -8.112 7.193 1.00 0.00 C ATOM 66 C ILE A 5 142.583 -7.780 7.983 1.00 0.00 C ATOM 67 O ILE A 5 142.262 -8.447 8.967 1.00 0.00 O ATOM 68 CB ILE A 5 143.485 -9.060 6.029 1.00 0.00 C ATOM 69 CG1 ILE A 5 142.503 -8.382 5.070 1.00 0.00 C ATOM 70 CG2 ILE A 5 142.903 -10.360 6.561 1.00 0.00 C ATOM 71 CD1 ILE A 5 143.092 -7.198 4.334 1.00 0.00 C ATOM 0 H ILE A 5 145.248 -9.580 7.711 1.00 0.00 H new ATOM 0 HA ILE A 5 144.263 -7.191 6.786 1.00 0.00 H new ATOM 0 HB ILE A 5 144.396 -9.293 5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 5 142.155 -9.115 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 5 141.629 -8.051 5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 5 142.654 -11.015 5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 5 143.635 -10.851 7.202 1.00 0.00 H new ATOM 0 HG23 ILE A 5 142.002 -10.147 7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 5 142.339 -6.769 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 5 143.414 -6.446 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 5 143.948 -7.526 3.744 1.00 0.00 H new ATOM 83 N ILE A 6 141.871 -6.745 7.548 1.00 0.00 N ATOM 84 CA ILE A 6 140.644 -6.327 8.219 1.00 0.00 C ATOM 85 C ILE A 6 139.431 -6.483 7.303 1.00 0.00 C ATOM 86 O ILE A 6 138.608 -7.377 7.496 1.00 0.00 O ATOM 87 CB ILE A 6 140.735 -4.865 8.697 1.00 0.00 C ATOM 88 CG1 ILE A 6 142.013 -4.649 9.507 1.00 0.00 C ATOM 89 CG2 ILE A 6 139.511 -4.497 9.521 1.00 0.00 C ATOM 90 CD1 ILE A 6 143.213 -4.283 8.660 1.00 0.00 C ATOM 0 H ILE A 6 142.121 -6.181 6.736 1.00 0.00 H new ATOM 0 HA ILE A 6 140.521 -6.976 9.086 1.00 0.00 H new ATOM 0 HB ILE A 6 140.767 -4.215 7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 6 141.841 -3.859 10.238 1.00 0.00 H new ATOM 0 HG13 ILE A 6 142.237 -5.558 10.066 1.00 0.00 H new ATOM 0 HG21 ILE A 6 139.592 -3.461 9.850 1.00 0.00 H new ATOM 0 HG22 ILE A 6 138.614 -4.615 8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 6 139.448 -5.150 10.391 1.00 0.00 H new ATOM 0 HD11 ILE A 6 144.083 -4.145 9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 6 143.412 -5.082 7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 6 143.009 -3.358 8.121 1.00 0.00 H new ATOM 102 N GLU A 7 139.326 -5.607 6.310 1.00 0.00 N ATOM 103 CA GLU A 7 138.209 -5.647 5.370 1.00 0.00 C ATOM 104 C GLU A 7 138.701 -5.905 3.948 1.00 0.00 C ATOM 105 O GLU A 7 139.902 -5.892 3.685 1.00 0.00 O ATOM 106 CB GLU A 7 137.425 -4.335 5.422 1.00 0.00 C ATOM 107 CG GLU A 7 137.109 -3.870 6.834 1.00 0.00 C ATOM 108 CD GLU A 7 135.982 -4.663 7.469 1.00 0.00 C ATOM 109 OE1 GLU A 7 135.710 -5.788 7.001 1.00 0.00 O ATOM 110 OE2 GLU A 7 135.373 -4.156 8.435 1.00 0.00 O ATOM 0 H GLU A 7 139.999 -4.861 6.134 1.00 0.00 H new ATOM 0 HA GLU A 7 137.552 -6.467 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 7 137.997 -3.559 4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 7 136.492 -4.457 4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 7 138.003 -3.958 7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 7 136.839 -2.814 6.813 1.00 0.00 H new ATOM 117 N ILE A 8 137.762 -6.141 3.036 1.00 0.00 N ATOM 118 CA ILE A 8 138.100 -6.405 1.643 1.00 0.00 C ATOM 119 C ILE A 8 137.335 -5.483 0.688 1.00 0.00 C ATOM 120 O ILE A 8 137.498 -5.570 -0.529 1.00 0.00 O ATOM 121 CB ILE A 8 137.812 -7.873 1.267 1.00 0.00 C ATOM 122 CG1 ILE A 8 138.296 -8.166 -0.154 1.00 0.00 C ATOM 123 CG2 ILE A 8 136.327 -8.178 1.402 1.00 0.00 C ATOM 124 CD1 ILE A 8 138.583 -9.631 -0.405 1.00 0.00 C ATOM 0 H ILE A 8 136.762 -6.155 3.238 1.00 0.00 H new ATOM 0 HA ILE A 8 139.167 -6.209 1.540 1.00 0.00 H new ATOM 0 HB ILE A 8 138.357 -8.519 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 8 137.542 -7.825 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 8 139.200 -7.589 -0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 8 136.143 -9.218 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 8 136.013 -8.009 2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 8 135.760 -7.526 0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 8 138.922 -9.765 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 8 139.359 -9.972 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 8 137.675 -10.212 -0.244 1.00 0.00 H new ATOM 136 N GLY A 9 136.503 -4.604 1.241 1.00 0.00 N ATOM 137 CA GLY A 9 135.738 -3.688 0.412 1.00 0.00 C ATOM 138 C GLY A 9 136.431 -2.347 0.239 1.00 0.00 C ATOM 139 O GLY A 9 137.345 -2.222 -0.577 1.00 0.00 O ATOM 0 H GLY A 9 136.345 -4.510 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 9 135.575 -4.138 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 9 134.756 -3.532 0.859 1.00 0.00 H new ATOM 143 N PRO A 10 136.023 -1.319 1.002 1.00 0.00 N ATOM 144 CA PRO A 10 136.632 0.013 0.919 1.00 0.00 C ATOM 145 C PRO A 10 138.113 -0.024 1.273 1.00 0.00 C ATOM 146 O PRO A 10 138.908 0.763 0.761 1.00 0.00 O ATOM 147 CB PRO A 10 135.852 0.840 1.948 1.00 0.00 C ATOM 148 CG PRO A 10 135.224 -0.162 2.856 1.00 0.00 C ATOM 149 CD PRO A 10 134.951 -1.371 2.010 1.00 0.00 C ATOM 0 HA PRO A 10 136.581 0.425 -0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 10 136.513 1.510 2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 10 135.098 1.461 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 10 135.888 -0.407 3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 10 134.303 0.227 3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 10 134.991 -2.290 2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 10 133.963 -1.328 1.551 1.00 0.00 H new ATOM 157 N PHE A 11 138.476 -0.955 2.153 1.00 0.00 N ATOM 158 CA PHE A 11 139.858 -1.119 2.586 1.00 0.00 C ATOM 159 C PHE A 11 140.803 -1.167 1.387 1.00 0.00 C ATOM 160 O PHE A 11 141.754 -0.392 1.299 1.00 0.00 O ATOM 161 CB PHE A 11 139.987 -2.402 3.416 1.00 0.00 C ATOM 162 CG PHE A 11 141.395 -2.743 3.823 1.00 0.00 C ATOM 163 CD1 PHE A 11 142.327 -3.150 2.880 1.00 0.00 C ATOM 164 CD2 PHE A 11 141.785 -2.663 5.151 1.00 0.00 C ATOM 165 CE1 PHE A 11 143.617 -3.469 3.254 1.00 0.00 C ATOM 166 CE2 PHE A 11 143.076 -2.982 5.528 1.00 0.00 C ATOM 167 CZ PHE A 11 143.992 -3.385 4.576 1.00 0.00 C ATOM 0 H PHE A 11 137.824 -1.612 2.582 1.00 0.00 H new ATOM 0 HA PHE A 11 140.136 -0.262 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 11 139.377 -2.302 4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 11 139.577 -3.233 2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 11 142.040 -3.218 1.841 1.00 0.00 H new ATOM 0 HD2 PHE A 11 141.072 -2.348 5.899 1.00 0.00 H new ATOM 0 HE1 PHE A 11 144.332 -3.785 2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 11 143.368 -2.916 6.566 1.00 0.00 H new ATOM 0 HZ PHE A 11 145.001 -3.634 4.868 1.00 0.00 H new ATOM 177 N THR A 12 140.531 -2.090 0.470 1.00 0.00 N ATOM 178 CA THR A 12 141.348 -2.257 -0.723 1.00 0.00 C ATOM 179 C THR A 12 141.297 -1.011 -1.602 1.00 0.00 C ATOM 180 O THR A 12 142.328 -0.413 -1.916 1.00 0.00 O ATOM 181 CB THR A 12 140.870 -3.479 -1.509 1.00 0.00 C ATOM 182 OG1 THR A 12 139.608 -3.918 -1.038 1.00 0.00 O ATOM 183 CG2 THR A 12 141.821 -4.654 -1.430 1.00 0.00 C ATOM 0 H THR A 12 139.745 -2.737 0.533 1.00 0.00 H new ATOM 0 HA THR A 12 142.383 -2.408 -0.415 1.00 0.00 H new ATOM 0 HB THR A 12 140.812 -3.148 -2.546 1.00 0.00 H new ATOM 0 HG1 THR A 12 138.963 -3.183 -1.097 1.00 0.00 H new ATOM 0 HG21 THR A 12 141.421 -5.486 -2.009 1.00 0.00 H new ATOM 0 HG22 THR A 12 142.791 -4.365 -1.834 1.00 0.00 H new ATOM 0 HG23 THR A 12 141.937 -4.959 -0.390 1.00 0.00 H new ATOM 191 N GLN A 13 140.089 -0.625 -1.996 1.00 0.00 N ATOM 192 CA GLN A 13 139.899 0.551 -2.839 1.00 0.00 C ATOM 193 C GLN A 13 140.560 1.774 -2.215 1.00 0.00 C ATOM 194 O GLN A 13 140.979 2.693 -2.919 1.00 0.00 O ATOM 195 CB GLN A 13 138.408 0.812 -3.056 1.00 0.00 C ATOM 196 CG GLN A 13 138.123 1.899 -4.079 1.00 0.00 C ATOM 197 CD GLN A 13 136.748 2.513 -3.911 1.00 0.00 C ATOM 198 OE1 GLN A 13 136.103 2.345 -2.875 1.00 0.00 O ATOM 199 NE2 GLN A 13 136.288 3.227 -4.933 1.00 0.00 N ATOM 0 H GLN A 13 139.226 -1.108 -1.746 1.00 0.00 H new ATOM 0 HA GLN A 13 140.368 0.360 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 13 137.929 -0.113 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 13 137.955 1.092 -2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 13 138.878 2.680 -3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 13 138.210 1.480 -5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 13 136.856 3.340 -5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 13 135.367 3.662 -4.878 1.00 0.00 H new ATOM 208 N ASN A 14 140.651 1.776 -0.888 1.00 0.00 N ATOM 209 CA ASN A 14 141.262 2.879 -0.162 1.00 0.00 C ATOM 210 C ASN A 14 142.661 3.160 -0.678 1.00 0.00 C ATOM 211 O ASN A 14 142.915 4.211 -1.265 1.00 0.00 O ATOM 212 CB ASN A 14 141.310 2.566 1.334 1.00 0.00 C ATOM 213 CG ASN A 14 140.642 3.636 2.173 1.00 0.00 C ATOM 214 OD1 ASN A 14 141.269 4.244 3.039 1.00 0.00 O ATOM 215 ND2 ASN A 14 139.359 3.872 1.920 1.00 0.00 N ATOM 0 H ASN A 14 140.307 1.022 -0.294 1.00 0.00 H new ATOM 0 HA ASN A 14 140.652 3.768 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 14 140.823 1.608 1.517 1.00 0.00 H new ATOM 0 HB3 ASN A 14 142.349 2.460 1.646 1.00 0.00 H new ATOM 0 HD21 ASN A 14 138.856 4.581 2.454 1.00 0.00 H new ATOM 0 HD22 ASN A 14 138.877 3.344 1.192 1.00 0.00 H new ATOM 222 N LEU A 15 143.572 2.212 -0.474 1.00 0.00 N ATOM 223 CA LEU A 15 144.939 2.379 -0.947 1.00 0.00 C ATOM 224 C LEU A 15 144.927 2.791 -2.413 1.00 0.00 C ATOM 225 O LEU A 15 145.830 3.477 -2.885 1.00 0.00 O ATOM 226 CB LEU A 15 145.742 1.091 -0.763 1.00 0.00 C ATOM 227 CG LEU A 15 147.179 1.293 -0.272 1.00 0.00 C ATOM 228 CD1 LEU A 15 147.520 0.296 0.826 1.00 0.00 C ATOM 229 CD2 LEU A 15 148.159 1.167 -1.429 1.00 0.00 C ATOM 0 H LEU A 15 143.390 1.332 0.009 1.00 0.00 H new ATOM 0 HA LEU A 15 145.419 3.161 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 15 145.217 0.451 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 15 145.769 0.558 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 15 147.260 2.298 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 15 148.545 0.458 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 15 146.839 0.433 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 15 147.420 -0.719 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 15 149.175 1.313 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 15 148.072 0.175 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 15 147.932 1.922 -2.182 1.00 0.00 H new ATOM 241 N GLY A 16 143.874 2.377 -3.119 1.00 0.00 N ATOM 242 CA GLY A 16 143.736 2.724 -4.517 1.00 0.00 C ATOM 243 C GLY A 16 143.672 4.223 -4.728 1.00 0.00 C ATOM 244 O GLY A 16 144.318 4.754 -5.634 1.00 0.00 O ATOM 0 H GLY A 16 143.116 1.807 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 16 144.577 2.315 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 16 142.833 2.263 -4.917 1.00 0.00 H new ATOM 248 N LYS A 17 142.900 4.917 -3.887 1.00 0.00 N ATOM 249 CA LYS A 17 142.780 6.365 -4.006 1.00 0.00 C ATOM 250 C LYS A 17 144.143 7.024 -3.798 1.00 0.00 C ATOM 251 O LYS A 17 144.588 7.838 -4.613 1.00 0.00 O ATOM 252 CB LYS A 17 141.742 6.907 -3.008 1.00 0.00 C ATOM 253 CG LYS A 17 142.305 7.274 -1.642 1.00 0.00 C ATOM 254 CD LYS A 17 141.221 7.813 -0.721 1.00 0.00 C ATOM 255 CE LYS A 17 141.133 9.328 -0.788 1.00 0.00 C ATOM 256 NZ LYS A 17 141.687 9.973 0.433 1.00 0.00 N ATOM 0 H LYS A 17 142.358 4.503 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 17 142.433 6.608 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 17 141.269 7.789 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 17 140.961 6.159 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 17 142.766 6.396 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 17 143.090 8.021 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 17 140.260 7.380 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 17 141.427 7.505 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 17 141.675 9.684 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 17 140.092 9.625 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 141.876 10.977 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 141.000 9.893 1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 142.573 9.500 0.704 1.00 0.00 H new ATOM 270 N PHE A 18 144.811 6.651 -2.712 1.00 0.00 N ATOM 271 CA PHE A 18 146.128 7.189 -2.408 1.00 0.00 C ATOM 272 C PHE A 18 147.179 6.591 -3.337 1.00 0.00 C ATOM 273 O PHE A 18 148.310 7.070 -3.401 1.00 0.00 O ATOM 274 CB PHE A 18 146.495 6.908 -0.950 1.00 0.00 C ATOM 275 CG PHE A 18 145.742 7.759 0.034 1.00 0.00 C ATOM 276 CD1 PHE A 18 145.956 9.128 0.091 1.00 0.00 C ATOM 277 CD2 PHE A 18 144.823 7.191 0.900 1.00 0.00 C ATOM 278 CE1 PHE A 18 145.265 9.913 0.995 1.00 0.00 C ATOM 279 CE2 PHE A 18 144.129 7.972 1.806 1.00 0.00 C ATOM 280 CZ PHE A 18 144.350 9.333 1.852 1.00 0.00 C ATOM 0 H PHE A 18 144.461 5.979 -2.029 1.00 0.00 H new ATOM 0 HA PHE A 18 146.101 8.268 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 18 146.303 5.858 -0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 18 147.564 7.071 -0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 18 146.670 9.586 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 18 144.646 6.126 0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 18 145.440 10.978 1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 18 143.415 7.517 2.477 1.00 0.00 H new ATOM 0 HZ PHE A 18 143.808 9.945 2.558 1.00 0.00 H new ATOM 290 N ALA A 19 146.794 5.544 -4.060 1.00 0.00 N ATOM 291 CA ALA A 19 147.697 4.883 -4.991 1.00 0.00 C ATOM 292 C ALA A 19 148.117 5.837 -6.098 1.00 0.00 C ATOM 293 O ALA A 19 149.304 6.098 -6.289 1.00 0.00 O ATOM 294 CB ALA A 19 147.038 3.646 -5.581 1.00 0.00 C ATOM 0 H ALA A 19 145.860 5.136 -4.018 1.00 0.00 H new ATOM 0 HA ALA A 19 148.589 4.576 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 19 147.726 3.163 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 19 146.784 2.952 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 19 146.131 3.935 -6.112 1.00 0.00 H new ATOM 300 N VAL A 20 147.134 6.358 -6.824 1.00 0.00 N ATOM 301 CA VAL A 20 147.405 7.290 -7.909 1.00 0.00 C ATOM 302 C VAL A 20 147.957 8.599 -7.363 1.00 0.00 C ATOM 303 O VAL A 20 148.799 9.242 -7.993 1.00 0.00 O ATOM 304 CB VAL A 20 146.139 7.582 -8.737 1.00 0.00 C ATOM 305 CG1 VAL A 20 146.481 8.422 -9.958 1.00 0.00 C ATOM 306 CG2 VAL A 20 145.456 6.285 -9.148 1.00 0.00 C ATOM 0 H VAL A 20 146.146 6.151 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 20 148.144 6.821 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 20 145.446 8.149 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 20 145.574 8.618 -10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.920 9.367 -9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.195 7.884 -10.582 1.00 0.00 H new ATOM 0 HG21 VAL A 20 144.564 6.513 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.141 5.688 -9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.173 5.725 -8.257 1.00 0.00 H new ATOM 316 N ASP A 21 147.481 8.991 -6.186 1.00 0.00 N ATOM 317 CA ASP A 21 147.933 10.224 -5.556 1.00 0.00 C ATOM 318 C ASP A 21 149.396 10.118 -5.132 1.00 0.00 C ATOM 319 O ASP A 21 150.123 11.111 -5.127 1.00 0.00 O ATOM 320 CB ASP A 21 147.061 10.550 -4.341 1.00 0.00 C ATOM 321 CG ASP A 21 146.890 12.043 -4.138 1.00 0.00 C ATOM 322 OD1 ASP A 21 146.286 12.697 -5.014 1.00 0.00 O ATOM 323 OD2 ASP A 21 147.360 12.558 -3.102 1.00 0.00 O ATOM 0 H ASP A 21 146.784 8.473 -5.651 1.00 0.00 H new ATOM 0 HA ASP A 21 147.844 11.028 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 21 146.082 10.088 -4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 21 147.508 10.113 -3.448 1.00 0.00 H new ATOM 328 N GLU A 22 149.823 8.909 -4.771 1.00 0.00 N ATOM 329 CA GLU A 22 151.201 8.685 -4.341 1.00 0.00 C ATOM 330 C GLU A 22 152.025 7.973 -5.413 1.00 0.00 C ATOM 331 O GLU A 22 153.233 7.803 -5.260 1.00 0.00 O ATOM 332 CB GLU A 22 151.224 7.872 -3.044 1.00 0.00 C ATOM 333 CG GLU A 22 150.960 8.701 -1.795 1.00 0.00 C ATOM 334 CD GLU A 22 149.827 9.695 -1.972 1.00 0.00 C ATOM 335 OE1 GLU A 22 150.070 10.776 -2.547 1.00 0.00 O ATOM 336 OE2 GLU A 22 148.698 9.391 -1.535 1.00 0.00 O ATOM 0 H GLU A 22 149.238 8.074 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 22 151.652 9.662 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 22 150.477 7.081 -3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 22 152.195 7.386 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 22 150.725 8.034 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 22 151.869 9.239 -1.524 1.00 0.00 H new ATOM 343 N GLU A 23 151.375 7.557 -6.496 1.00 0.00 N ATOM 344 CA GLU A 23 152.068 6.866 -7.579 1.00 0.00 C ATOM 345 C GLU A 23 153.204 7.721 -8.134 1.00 0.00 C ATOM 346 O GLU A 23 154.143 7.207 -8.742 1.00 0.00 O ATOM 347 CB GLU A 23 151.090 6.507 -8.699 1.00 0.00 C ATOM 348 CG GLU A 23 151.279 5.099 -9.240 1.00 0.00 C ATOM 349 CD GLU A 23 152.620 4.910 -9.923 1.00 0.00 C ATOM 350 OE1 GLU A 23 153.099 5.867 -10.563 1.00 0.00 O ATOM 351 OE2 GLU A 23 153.187 3.802 -9.817 1.00 0.00 O ATOM 0 H GLU A 23 150.374 7.685 -6.647 1.00 0.00 H new ATOM 0 HA GLU A 23 152.493 5.948 -7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.070 6.611 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 23 151.207 7.220 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 23 151.189 4.385 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 23 150.481 4.876 -9.948 1.00 0.00 H new ATOM 358 N ASN A 24 153.110 9.032 -7.926 1.00 0.00 N ATOM 359 CA ASN A 24 154.126 9.960 -8.409 1.00 0.00 C ATOM 360 C ASN A 24 155.281 10.104 -7.414 1.00 0.00 C ATOM 361 O ASN A 24 156.115 11.000 -7.553 1.00 0.00 O ATOM 362 CB ASN A 24 153.504 11.330 -8.680 1.00 0.00 C ATOM 363 CG ASN A 24 153.012 11.471 -10.107 1.00 0.00 C ATOM 364 OD1 ASN A 24 151.902 10.809 -10.419 1.00 0.00 O flip ATOM 365 ND2 ASN A 24 153.620 12.165 -10.921 1.00 0.00 N flip ATOM 0 H ASN A 24 152.339 9.475 -7.426 1.00 0.00 H new ATOM 0 HA ASN A 24 154.529 9.552 -9.336 1.00 0.00 H new ATOM 0 HB2 ASN A 24 152.672 11.490 -7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 24 154.240 12.107 -8.474 1.00 0.00 H new ATOM 0 HD21 ASN A 24 154.468 12.656 -10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 24 153.276 12.249 -11.877 1.00 0.00 H new ATOM 372 N LYS A 25 155.335 9.224 -6.416 1.00 0.00 N ATOM 373 CA LYS A 25 156.398 9.274 -5.418 1.00 0.00 C ATOM 374 C LYS A 25 157.506 8.274 -5.749 1.00 0.00 C ATOM 375 O LYS A 25 158.540 8.645 -6.302 1.00 0.00 O ATOM 376 CB LYS A 25 155.834 9.003 -4.017 1.00 0.00 C ATOM 377 CG LYS A 25 156.075 10.138 -3.036 1.00 0.00 C ATOM 378 CD LYS A 25 157.260 9.848 -2.128 1.00 0.00 C ATOM 379 CE LYS A 25 157.641 11.068 -1.304 1.00 0.00 C ATOM 380 NZ LYS A 25 158.836 10.813 -0.453 1.00 0.00 N ATOM 0 H LYS A 25 154.659 8.473 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 25 156.828 10.275 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 25 154.762 8.822 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 25 156.284 8.091 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 156.254 11.063 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 25 155.182 10.294 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 25 157.016 9.020 -1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 25 158.113 9.533 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 25 157.842 11.907 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 25 156.801 11.356 -0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 158.598 10.994 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 159.136 9.823 -0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 159.610 11.444 -0.744 1.00 0.00 H new ATOM 394 N ILE A 26 157.284 7.005 -5.410 1.00 0.00 N ATOM 395 CA ILE A 26 158.268 5.959 -5.676 1.00 0.00 C ATOM 396 C ILE A 26 158.758 6.005 -7.122 1.00 0.00 C ATOM 397 O ILE A 26 159.936 5.769 -7.397 1.00 0.00 O ATOM 398 CB ILE A 26 157.695 4.560 -5.376 1.00 0.00 C ATOM 399 CG1 ILE A 26 158.792 3.499 -5.476 1.00 0.00 C ATOM 400 CG2 ILE A 26 156.542 4.233 -6.316 1.00 0.00 C ATOM 401 CD1 ILE A 26 158.300 2.092 -5.210 1.00 0.00 C ATOM 0 H ILE A 26 156.434 6.678 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 26 159.112 6.147 -5.012 1.00 0.00 H new ATOM 0 HB ILE A 26 157.309 4.561 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 26 159.234 3.538 -6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 26 159.584 3.739 -4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 26 156.154 3.241 -6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 26 155.750 4.971 -6.190 1.00 0.00 H new ATOM 0 HG23 ILE A 26 156.896 4.253 -7.347 1.00 0.00 H new ATOM 0 HD11 ILE A 26 159.132 1.393 -5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 26 157.884 2.036 -4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 26 157.529 1.833 -5.936 1.00 0.00 H new ATOM 413 N GLY A 27 157.848 6.307 -8.042 1.00 0.00 N ATOM 414 CA GLY A 27 158.207 6.376 -9.446 1.00 0.00 C ATOM 415 C GLY A 27 158.417 7.799 -9.923 1.00 0.00 C ATOM 416 O GLY A 27 158.240 8.749 -9.161 1.00 0.00 O ATOM 0 H GLY A 27 156.868 6.505 -7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 27 159.119 5.802 -9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 27 157.423 5.909 -10.041 1.00 0.00 H new ATOM 420 N GLN A 28 158.793 7.946 -11.190 1.00 0.00 N ATOM 421 CA GLN A 28 159.025 9.263 -11.770 1.00 0.00 C ATOM 422 C GLN A 28 157.780 9.758 -12.502 1.00 0.00 C ATOM 423 O GLN A 28 157.438 10.940 -12.438 1.00 0.00 O ATOM 424 CB GLN A 28 160.213 9.220 -12.732 1.00 0.00 C ATOM 425 CG GLN A 28 161.559 9.128 -12.033 1.00 0.00 C ATOM 426 CD GLN A 28 162.611 10.016 -12.669 1.00 0.00 C ATOM 427 OE1 GLN A 28 162.335 10.733 -13.631 1.00 0.00 O ATOM 428 NE2 GLN A 28 163.825 9.975 -12.133 1.00 0.00 N ATOM 0 H GLN A 28 158.943 7.169 -11.834 1.00 0.00 H new ATOM 0 HA GLN A 28 159.251 9.956 -10.959 1.00 0.00 H new ATOM 0 HB2 GLN A 28 160.100 8.365 -13.398 1.00 0.00 H new ATOM 0 HB3 GLN A 28 160.197 10.114 -13.356 1.00 0.00 H new ATOM 0 HG2 GLN A 28 161.440 9.406 -10.986 1.00 0.00 H new ATOM 0 HG3 GLN A 28 161.903 8.094 -12.051 1.00 0.00 H new ATOM 0 HE21 GLN A 28 164.010 9.366 -11.336 1.00 0.00 H new ATOM 0 HE22 GLN A 28 164.572 10.552 -12.518 1.00 0.00 H new ATOM 437 N TYR A 29 157.107 8.846 -13.194 1.00 0.00 N ATOM 438 CA TYR A 29 155.899 9.186 -13.938 1.00 0.00 C ATOM 439 C TYR A 29 154.712 8.360 -13.451 1.00 0.00 C ATOM 440 O TYR A 29 154.773 7.130 -13.416 1.00 0.00 O ATOM 441 CB TYR A 29 156.114 8.959 -15.435 1.00 0.00 C ATOM 442 CG TYR A 29 155.169 9.752 -16.309 1.00 0.00 C ATOM 443 CD1 TYR A 29 153.835 9.386 -16.433 1.00 0.00 C ATOM 444 CD2 TYR A 29 155.611 10.866 -17.010 1.00 0.00 C ATOM 445 CE1 TYR A 29 152.968 10.110 -17.230 1.00 0.00 C ATOM 446 CE2 TYR A 29 154.751 11.594 -17.811 1.00 0.00 C ATOM 447 CZ TYR A 29 153.431 11.212 -17.917 1.00 0.00 C ATOM 448 OH TYR A 29 152.571 11.935 -18.712 1.00 0.00 O ATOM 0 H TYR A 29 157.377 7.864 -13.256 1.00 0.00 H new ATOM 0 HA TYR A 29 155.681 10.240 -13.767 1.00 0.00 H new ATOM 0 HB2 TYR A 29 157.140 9.223 -15.690 1.00 0.00 H new ATOM 0 HB3 TYR A 29 155.994 7.898 -15.654 1.00 0.00 H new ATOM 0 HD1 TYR A 29 153.469 8.522 -15.898 1.00 0.00 H new ATOM 0 HD2 TYR A 29 156.644 11.169 -16.928 1.00 0.00 H new ATOM 0 HE1 TYR A 29 151.933 9.814 -17.314 1.00 0.00 H new ATOM 0 HE2 TYR A 29 155.111 12.457 -18.351 1.00 0.00 H new ATOM 0 HH TYR A 29 153.055 12.680 -19.124 1.00 0.00 H new ATOM 458 N GLY A 30 153.635 9.042 -13.076 1.00 0.00 N ATOM 459 CA GLY A 30 152.452 8.354 -12.596 1.00 0.00 C ATOM 460 C GLY A 30 151.495 7.989 -13.713 1.00 0.00 C ATOM 461 O GLY A 30 151.527 8.588 -14.788 1.00 0.00 O ATOM 0 H GLY A 30 153.561 10.059 -13.096 1.00 0.00 H new ATOM 0 HA2 GLY A 30 152.752 7.448 -12.069 1.00 0.00 H new ATOM 0 HA3 GLY A 30 151.937 8.987 -11.874 1.00 0.00 H new ATOM 465 N ARG A 31 150.640 7.004 -13.458 1.00 0.00 N ATOM 466 CA ARG A 31 149.668 6.558 -14.448 1.00 0.00 C ATOM 467 C ARG A 31 148.306 6.320 -13.803 1.00 0.00 C ATOM 468 O ARG A 31 148.149 6.468 -12.592 1.00 0.00 O ATOM 469 CB ARG A 31 150.157 5.280 -15.134 1.00 0.00 C ATOM 470 CG ARG A 31 150.314 5.419 -16.640 1.00 0.00 C ATOM 471 CD ARG A 31 149.320 4.547 -17.390 1.00 0.00 C ATOM 472 NE ARG A 31 149.232 4.907 -18.803 1.00 0.00 N ATOM 473 CZ ARG A 31 148.696 4.123 -19.736 1.00 0.00 C ATOM 474 NH1 ARG A 31 148.199 2.936 -19.410 1.00 0.00 N ATOM 475 NH2 ARG A 31 148.655 4.527 -20.998 1.00 0.00 N ATOM 0 H ARG A 31 150.601 6.499 -12.573 1.00 0.00 H new ATOM 0 HA ARG A 31 149.561 7.343 -15.197 1.00 0.00 H new ATOM 0 HB2 ARG A 31 151.115 4.990 -14.703 1.00 0.00 H new ATOM 0 HB3 ARG A 31 149.455 4.473 -14.923 1.00 0.00 H new ATOM 0 HG2 ARG A 31 150.173 6.461 -16.926 1.00 0.00 H new ATOM 0 HG3 ARG A 31 151.329 5.144 -16.927 1.00 0.00 H new ATOM 0 HD2 ARG A 31 149.615 3.502 -17.300 1.00 0.00 H new ATOM 0 HD3 ARG A 31 148.336 4.641 -16.930 1.00 0.00 H new ATOM 0 HE ARG A 31 149.603 5.812 -19.092 1.00 0.00 H new ATOM 0 HH11 ARG A 31 148.227 2.620 -18.440 1.00 0.00 H new ATOM 0 HH12 ARG A 31 147.790 2.340 -20.129 1.00 0.00 H new ATOM 0 HH21 ARG A 31 149.034 5.439 -21.254 1.00 0.00 H new ATOM 0 HH22 ARG A 31 148.244 3.926 -21.713 1.00 0.00 H new ATOM 489 N LEU A 32 147.325 5.950 -14.620 1.00 0.00 N ATOM 490 CA LEU A 32 145.977 5.693 -14.128 1.00 0.00 C ATOM 491 C LEU A 32 145.826 4.239 -13.690 1.00 0.00 C ATOM 492 O LEU A 32 145.752 3.334 -14.521 1.00 0.00 O ATOM 493 CB LEU A 32 144.944 6.025 -15.206 1.00 0.00 C ATOM 494 CG LEU A 32 143.654 6.663 -14.689 1.00 0.00 C ATOM 495 CD1 LEU A 32 143.795 8.176 -14.629 1.00 0.00 C ATOM 496 CD2 LEU A 32 142.476 6.270 -15.567 1.00 0.00 C ATOM 0 H LEU A 32 147.439 5.822 -15.625 1.00 0.00 H new ATOM 0 HA LEU A 32 145.805 6.334 -13.263 1.00 0.00 H new ATOM 0 HB2 LEU A 32 145.401 6.700 -15.930 1.00 0.00 H new ATOM 0 HB3 LEU A 32 144.690 5.109 -15.740 1.00 0.00 H new ATOM 0 HG LEU A 32 143.468 6.295 -13.680 1.00 0.00 H new ATOM 0 HD11 LEU A 32 142.868 8.613 -14.259 1.00 0.00 H new ATOM 0 HD12 LEU A 32 144.613 8.439 -13.958 1.00 0.00 H new ATOM 0 HD13 LEU A 32 144.005 8.562 -15.627 1.00 0.00 H new ATOM 0 HD21 LEU A 32 141.566 6.733 -15.184 1.00 0.00 H new ATOM 0 HD22 LEU A 32 142.654 6.609 -16.588 1.00 0.00 H new ATOM 0 HD23 LEU A 32 142.362 5.186 -15.559 1.00 0.00 H new ATOM 508 N THR A 33 145.777 4.023 -12.380 1.00 0.00 N ATOM 509 CA THR A 33 145.633 2.681 -11.829 1.00 0.00 C ATOM 510 C THR A 33 144.367 2.577 -10.984 1.00 0.00 C ATOM 511 O THR A 33 144.364 1.948 -9.926 1.00 0.00 O ATOM 512 CB THR A 33 146.855 2.322 -10.981 1.00 0.00 C ATOM 513 OG1 THR A 33 146.764 0.990 -10.508 1.00 0.00 O ATOM 514 CG2 THR A 33 147.034 3.224 -9.779 1.00 0.00 C ATOM 0 H THR A 33 145.835 4.762 -11.679 1.00 0.00 H new ATOM 0 HA THR A 33 145.556 1.979 -12.659 1.00 0.00 H new ATOM 0 HB THR A 33 147.712 2.448 -11.642 1.00 0.00 H new ATOM 0 HG1 THR A 33 145.899 0.858 -10.067 1.00 0.00 H new ATOM 0 HG21 THR A 33 147.918 2.915 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 33 147.157 4.254 -10.112 1.00 0.00 H new ATOM 0 HG23 THR A 33 146.156 3.153 -9.137 1.00 0.00 H new ATOM 522 N PHE A 34 143.294 3.206 -11.454 1.00 0.00 N ATOM 523 CA PHE A 34 142.027 3.190 -10.733 1.00 0.00 C ATOM 524 C PHE A 34 141.009 2.259 -11.394 1.00 0.00 C ATOM 525 O PHE A 34 139.817 2.334 -11.100 1.00 0.00 O ATOM 526 CB PHE A 34 141.453 4.605 -10.647 1.00 0.00 C ATOM 527 CG PHE A 34 140.787 4.905 -9.334 1.00 0.00 C ATOM 528 CD1 PHE A 34 141.499 4.825 -8.147 1.00 0.00 C ATOM 529 CD2 PHE A 34 139.451 5.266 -9.286 1.00 0.00 C ATOM 530 CE1 PHE A 34 140.888 5.100 -6.938 1.00 0.00 C ATOM 531 CE2 PHE A 34 138.835 5.543 -8.081 1.00 0.00 C ATOM 532 CZ PHE A 34 139.556 5.460 -6.905 1.00 0.00 C ATOM 0 H PHE A 34 143.277 3.731 -12.328 1.00 0.00 H new ATOM 0 HA PHE A 34 142.225 2.812 -9.730 1.00 0.00 H new ATOM 0 HB2 PHE A 34 142.256 5.324 -10.811 1.00 0.00 H new ATOM 0 HB3 PHE A 34 140.731 4.745 -11.451 1.00 0.00 H new ATOM 0 HD1 PHE A 34 142.542 4.545 -8.167 1.00 0.00 H new ATOM 0 HD2 PHE A 34 138.883 5.332 -10.202 1.00 0.00 H new ATOM 0 HE1 PHE A 34 141.453 5.033 -6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 34 137.792 5.824 -8.058 1.00 0.00 H new ATOM 0 HZ PHE A 34 139.078 5.677 -5.961 1.00 0.00 H new ATOM 542 N ASN A 35 141.475 1.383 -12.282 1.00 0.00 N ATOM 543 CA ASN A 35 140.579 0.454 -12.960 1.00 0.00 C ATOM 544 C ASN A 35 139.931 -0.497 -11.958 1.00 0.00 C ATOM 545 O ASN A 35 138.707 -0.537 -11.833 1.00 0.00 O ATOM 546 CB ASN A 35 141.338 -0.339 -14.026 1.00 0.00 C ATOM 547 CG ASN A 35 140.425 -0.850 -15.124 1.00 0.00 C ATOM 548 OD1 ASN A 35 139.966 -1.991 -15.083 1.00 0.00 O ATOM 549 ND2 ASN A 35 140.160 -0.006 -16.114 1.00 0.00 N ATOM 0 H ASN A 35 142.457 1.298 -12.545 1.00 0.00 H new ATOM 0 HA ASN A 35 139.793 1.032 -13.447 1.00 0.00 H new ATOM 0 HB2 ASN A 35 142.111 0.293 -14.464 1.00 0.00 H new ATOM 0 HB3 ASN A 35 141.844 -1.182 -13.556 1.00 0.00 H new ATOM 0 HD21 ASN A 35 139.554 -0.295 -16.882 1.00 0.00 H new ATOM 0 HD22 ASN A 35 140.563 0.931 -16.107 1.00 0.00 H new ATOM 556 N LYS A 36 140.756 -1.258 -11.245 1.00 0.00 N ATOM 557 CA LYS A 36 140.255 -2.202 -10.252 1.00 0.00 C ATOM 558 C LYS A 36 141.292 -2.439 -9.157 1.00 0.00 C ATOM 559 O LYS A 36 141.982 -3.457 -9.151 1.00 0.00 O ATOM 560 CB LYS A 36 139.889 -3.529 -10.921 1.00 0.00 C ATOM 561 CG LYS A 36 138.423 -3.626 -11.310 1.00 0.00 C ATOM 562 CD LYS A 36 138.095 -4.983 -11.914 1.00 0.00 C ATOM 563 CE LYS A 36 138.064 -6.072 -10.854 1.00 0.00 C ATOM 564 NZ LYS A 36 136.805 -6.039 -10.061 1.00 0.00 N ATOM 0 H LYS A 36 141.772 -1.240 -11.336 1.00 0.00 H new ATOM 0 HA LYS A 36 139.362 -1.775 -9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 36 140.503 -3.659 -11.812 1.00 0.00 H new ATOM 0 HB3 LYS A 36 140.132 -4.348 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 36 137.800 -3.458 -10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 36 138.183 -2.840 -12.026 1.00 0.00 H new ATOM 0 HD2 LYS A 36 137.129 -4.935 -12.416 1.00 0.00 H new ATOM 0 HD3 LYS A 36 138.836 -5.233 -12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 36 138.167 -7.046 -11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 36 138.917 -5.953 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 136.816 -6.808 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 136.727 -5.125 -9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 135.991 -6.161 -10.697 1.00 0.00 H new ATOM 578 N VAL A 37 141.400 -1.491 -8.235 1.00 0.00 N ATOM 579 CA VAL A 37 142.359 -1.599 -7.139 1.00 0.00 C ATOM 580 C VAL A 37 141.801 -2.439 -5.995 1.00 0.00 C ATOM 581 O VAL A 37 141.014 -1.951 -5.182 1.00 0.00 O ATOM 582 CB VAL A 37 142.751 -0.209 -6.600 1.00 0.00 C ATOM 583 CG1 VAL A 37 143.735 -0.336 -5.444 1.00 0.00 C ATOM 584 CG2 VAL A 37 143.333 0.649 -7.713 1.00 0.00 C ATOM 0 H VAL A 37 140.838 -0.640 -8.223 1.00 0.00 H new ATOM 0 HA VAL A 37 143.245 -2.089 -7.542 1.00 0.00 H new ATOM 0 HB VAL A 37 141.852 0.280 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 37 143.998 0.657 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 37 143.277 -0.909 -4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 37 144.635 -0.847 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 37 143.604 1.627 -7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 37 144.220 0.164 -8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 37 142.592 0.772 -8.503 1.00 0.00 H new ATOM 594 N ILE A 38 142.218 -3.702 -5.928 1.00 0.00 N ATOM 595 CA ILE A 38 141.761 -4.599 -4.874 1.00 0.00 C ATOM 596 C ILE A 38 142.746 -5.764 -4.666 1.00 0.00 C ATOM 597 O ILE A 38 143.923 -5.533 -4.381 1.00 0.00 O ATOM 598 CB ILE A 38 140.341 -5.130 -5.178 1.00 0.00 C ATOM 599 CG1 ILE A 38 140.266 -5.663 -6.611 1.00 0.00 C ATOM 600 CG2 ILE A 38 139.307 -4.034 -4.965 1.00 0.00 C ATOM 601 CD1 ILE A 38 139.035 -6.501 -6.880 1.00 0.00 C ATOM 0 H ILE A 38 142.869 -4.124 -6.590 1.00 0.00 H new ATOM 0 HA ILE A 38 141.720 -4.027 -3.947 1.00 0.00 H new ATOM 0 HB ILE A 38 140.124 -5.949 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 38 140.282 -4.822 -7.304 1.00 0.00 H new ATOM 0 HG13 ILE A 38 141.154 -6.261 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 38 138.313 -4.424 -5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 38 139.344 -3.695 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 38 139.522 -3.197 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 38 139.048 -6.845 -7.914 1.00 0.00 H new ATOM 0 HD12 ILE A 38 139.028 -7.362 -6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 38 138.142 -5.901 -6.708 1.00 0.00 H new ATOM 613 N LYS A 39 142.272 -7.009 -4.808 1.00 0.00 N ATOM 614 CA LYS A 39 143.121 -8.187 -4.640 1.00 0.00 C ATOM 615 C LYS A 39 143.561 -8.372 -3.189 1.00 0.00 C ATOM 616 O LYS A 39 143.370 -7.490 -2.351 1.00 0.00 O ATOM 617 CB LYS A 39 144.343 -8.102 -5.557 1.00 0.00 C ATOM 618 CG LYS A 39 144.270 -9.034 -6.755 1.00 0.00 C ATOM 619 CD LYS A 39 143.664 -8.339 -7.965 1.00 0.00 C ATOM 620 CE LYS A 39 142.634 -9.217 -8.655 1.00 0.00 C ATOM 621 NZ LYS A 39 141.434 -9.441 -7.802 1.00 0.00 N ATOM 0 H LYS A 39 141.302 -7.222 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 39 142.526 -9.057 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 39 144.451 -7.077 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 39 145.237 -8.336 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 39 145.270 -9.390 -7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 39 143.673 -9.910 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 39 143.197 -7.405 -7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 39 144.454 -8.080 -8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 39 142.331 -8.752 -9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 39 143.085 -10.177 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 140.622 -9.689 -8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 141.622 -10.217 -7.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 141.219 -8.573 -7.271 1.00 0.00 H new ATOM 635 N PRO A 40 144.155 -9.542 -2.878 1.00 0.00 N ATOM 636 CA PRO A 40 144.623 -9.869 -1.525 1.00 0.00 C ATOM 637 C PRO A 40 145.507 -8.784 -0.924 1.00 0.00 C ATOM 638 O PRO A 40 146.733 -8.830 -1.039 1.00 0.00 O ATOM 639 CB PRO A 40 145.423 -11.155 -1.728 1.00 0.00 C ATOM 640 CG PRO A 40 144.829 -11.782 -2.941 1.00 0.00 C ATOM 641 CD PRO A 40 144.406 -10.643 -3.827 1.00 0.00 C ATOM 0 HA PRO A 40 143.792 -9.968 -0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 40 146.483 -10.944 -1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 40 145.342 -11.812 -0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 40 145.554 -12.421 -3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 40 143.978 -12.410 -2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 40 145.183 -10.384 -4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 40 143.512 -10.891 -4.400 1.00 0.00 H new ATOM 649 N CYS A 41 144.876 -7.814 -0.276 1.00 0.00 N ATOM 650 CA CYS A 41 145.598 -6.714 0.356 1.00 0.00 C ATOM 651 C CYS A 41 146.072 -7.103 1.755 1.00 0.00 C ATOM 652 O CYS A 41 145.919 -8.250 2.174 1.00 0.00 O ATOM 653 CB CYS A 41 144.706 -5.476 0.433 1.00 0.00 C ATOM 654 SG CYS A 41 143.104 -5.771 1.217 1.00 0.00 S ATOM 0 H CYS A 41 143.862 -7.765 -0.173 1.00 0.00 H new ATOM 0 HA CYS A 41 146.474 -6.488 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 41 145.231 -4.696 0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 41 144.541 -5.096 -0.575 1.00 0.00 H new ATOM 0 HG CYS A 41 142.922 -4.907 2.171 1.00 0.00 H new ATOM 660 N MET A 42 146.651 -6.141 2.473 1.00 0.00 N ATOM 661 CA MET A 42 147.145 -6.390 3.824 1.00 0.00 C ATOM 662 C MET A 42 147.213 -5.099 4.639 1.00 0.00 C ATOM 663 O MET A 42 147.054 -4.002 4.101 1.00 0.00 O ATOM 664 CB MET A 42 148.527 -7.045 3.771 1.00 0.00 C ATOM 665 CG MET A 42 148.673 -8.231 4.711 1.00 0.00 C ATOM 666 SD MET A 42 149.637 -9.575 3.991 1.00 0.00 S ATOM 667 CE MET A 42 150.302 -10.341 5.466 1.00 0.00 C ATOM 0 H MET A 42 146.788 -5.186 2.142 1.00 0.00 H new ATOM 0 HA MET A 42 146.444 -7.065 4.315 1.00 0.00 H new ATOM 0 HB2 MET A 42 148.726 -7.374 2.751 1.00 0.00 H new ATOM 0 HB3 MET A 42 149.283 -6.300 4.019 1.00 0.00 H new ATOM 0 HG2 MET A 42 149.150 -7.901 5.634 1.00 0.00 H new ATOM 0 HG3 MET A 42 147.683 -8.602 4.978 1.00 0.00 H new ATOM 0 HE1 MET A 42 150.923 -11.192 5.186 1.00 0.00 H new ATOM 0 HE2 MET A 42 150.905 -9.616 6.012 1.00 0.00 H new ATOM 0 HE3 MET A 42 149.483 -10.682 6.099 1.00 0.00 H new ATOM 677 N LYS A 43 147.451 -5.241 5.940 1.00 0.00 N ATOM 678 CA LYS A 43 147.543 -4.097 6.843 1.00 0.00 C ATOM 679 C LYS A 43 148.367 -4.455 8.077 1.00 0.00 C ATOM 680 O LYS A 43 148.339 -5.593 8.545 1.00 0.00 O ATOM 681 CB LYS A 43 146.136 -3.637 7.258 1.00 0.00 C ATOM 682 CG LYS A 43 146.107 -2.649 8.420 1.00 0.00 C ATOM 683 CD LYS A 43 146.185 -1.212 7.931 1.00 0.00 C ATOM 684 CE LYS A 43 145.794 -0.226 9.021 1.00 0.00 C ATOM 685 NZ LYS A 43 146.364 -0.601 10.344 1.00 0.00 N ATOM 0 H LYS A 43 147.585 -6.144 6.395 1.00 0.00 H new ATOM 0 HA LYS A 43 148.041 -3.280 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 43 145.649 -3.179 6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 43 145.547 -4.513 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 43 145.192 -2.789 8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 43 146.941 -2.852 9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 43 147.198 -0.997 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 43 145.528 -1.084 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 43 146.138 0.771 8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 43 144.707 -0.179 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 146.514 0.257 10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 145.704 -1.234 10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 147.272 -1.088 10.205 1.00 0.00 H new ATOM 699 N LYS A 44 149.091 -3.474 8.604 1.00 0.00 N ATOM 700 CA LYS A 44 149.913 -3.682 9.789 1.00 0.00 C ATOM 701 C LYS A 44 149.805 -2.486 10.730 1.00 0.00 C ATOM 702 O LYS A 44 149.327 -1.422 10.338 1.00 0.00 O ATOM 703 CB LYS A 44 151.375 -3.905 9.395 1.00 0.00 C ATOM 704 CG LYS A 44 152.105 -4.882 10.302 1.00 0.00 C ATOM 705 CD LYS A 44 153.534 -5.115 9.837 1.00 0.00 C ATOM 706 CE LYS A 44 154.513 -5.079 11.000 1.00 0.00 C ATOM 707 NZ LYS A 44 155.749 -4.323 10.658 1.00 0.00 N ATOM 0 H LYS A 44 149.125 -2.526 8.229 1.00 0.00 H new ATOM 0 HA LYS A 44 149.549 -4.570 10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 44 151.415 -4.274 8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 44 151.897 -2.948 9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 44 152.112 -4.498 11.322 1.00 0.00 H new ATOM 0 HG3 LYS A 44 151.569 -5.831 10.322 1.00 0.00 H new ATOM 0 HD2 LYS A 44 153.601 -6.080 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 44 153.808 -4.354 9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 44 154.034 -4.620 11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 44 154.777 -6.097 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 156.420 -4.378 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 156.184 -4.735 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 155.508 -3.328 10.477 1.00 0.00 H new ATOM 721 N THR A 45 150.253 -2.663 11.969 1.00 0.00 N ATOM 722 CA THR A 45 150.204 -1.598 12.954 1.00 0.00 C ATOM 723 C THR A 45 151.091 -1.910 14.154 1.00 0.00 C ATOM 724 O THR A 45 151.030 -3.005 14.715 1.00 0.00 O ATOM 725 CB THR A 45 148.766 -1.361 13.420 1.00 0.00 C ATOM 726 OG1 THR A 45 147.909 -1.136 12.316 1.00 0.00 O ATOM 727 CG2 THR A 45 148.627 -0.182 14.357 1.00 0.00 C ATOM 0 H THR A 45 150.654 -3.536 12.311 1.00 0.00 H new ATOM 0 HA THR A 45 150.579 -0.693 12.477 1.00 0.00 H new ATOM 0 HB THR A 45 148.486 -2.267 13.957 1.00 0.00 H new ATOM 0 HG1 THR A 45 148.404 -0.677 11.606 1.00 0.00 H new ATOM 0 HG21 THR A 45 147.583 -0.070 14.649 1.00 0.00 H new ATOM 0 HG22 THR A 45 149.236 -0.349 15.245 1.00 0.00 H new ATOM 0 HG23 THR A 45 148.962 0.725 13.853 1.00 0.00 H new ATOM 735 N ILE A 46 151.907 -0.937 14.551 1.00 0.00 N ATOM 736 CA ILE A 46 152.798 -1.110 15.697 1.00 0.00 C ATOM 737 C ILE A 46 152.874 0.162 16.531 1.00 0.00 C ATOM 738 O ILE A 46 153.640 1.077 16.225 1.00 0.00 O ATOM 739 CB ILE A 46 154.229 -1.514 15.279 1.00 0.00 C ATOM 740 CG1 ILE A 46 154.605 -0.877 13.937 1.00 0.00 C ATOM 741 CG2 ILE A 46 154.354 -3.032 15.222 1.00 0.00 C ATOM 742 CD1 ILE A 46 154.163 -1.678 12.731 1.00 0.00 C ATOM 0 H ILE A 46 151.970 -0.025 14.099 1.00 0.00 H new ATOM 0 HA ILE A 46 152.369 -1.918 16.289 1.00 0.00 H new ATOM 0 HB ILE A 46 154.928 -1.142 16.028 1.00 0.00 H new ATOM 0 HG12 ILE A 46 154.163 0.118 13.882 1.00 0.00 H new ATOM 0 HG13 ILE A 46 155.687 -0.748 13.898 1.00 0.00 H new ATOM 0 HG21 ILE A 46 155.368 -3.303 14.926 1.00 0.00 H new ATOM 0 HG22 ILE A 46 154.138 -3.452 16.204 1.00 0.00 H new ATOM 0 HG23 ILE A 46 153.646 -3.428 14.495 1.00 0.00 H new ATOM 0 HD11 ILE A 46 154.466 -1.161 11.820 1.00 0.00 H new ATOM 0 HD12 ILE A 46 154.626 -2.664 12.760 1.00 0.00 H new ATOM 0 HD13 ILE A 46 153.078 -1.786 12.743 1.00 0.00 H new ATOM 754 N TYR A 47 152.076 0.209 17.587 1.00 0.00 N ATOM 755 CA TYR A 47 152.049 1.367 18.473 1.00 0.00 C ATOM 756 C TYR A 47 152.729 1.057 19.801 1.00 0.00 C ATOM 757 O TYR A 47 152.697 -0.076 20.280 1.00 0.00 O ATOM 758 CB TYR A 47 150.607 1.822 18.714 1.00 0.00 C ATOM 759 CG TYR A 47 149.777 0.830 19.498 1.00 0.00 C ATOM 760 CD1 TYR A 47 149.272 -0.314 18.893 1.00 0.00 C ATOM 761 CD2 TYR A 47 149.496 1.039 20.842 1.00 0.00 C ATOM 762 CE1 TYR A 47 148.512 -1.222 19.604 1.00 0.00 C ATOM 763 CE2 TYR A 47 148.737 0.134 21.562 1.00 0.00 C ATOM 764 CZ TYR A 47 148.246 -0.993 20.938 1.00 0.00 C ATOM 765 OH TYR A 47 147.489 -1.895 21.650 1.00 0.00 O ATOM 0 H TYR A 47 151.438 -0.541 17.853 1.00 0.00 H new ATOM 0 HA TYR A 47 152.598 2.174 17.988 1.00 0.00 H new ATOM 0 HB2 TYR A 47 150.620 2.772 19.247 1.00 0.00 H new ATOM 0 HB3 TYR A 47 150.127 2.003 17.752 1.00 0.00 H new ATOM 0 HD1 TYR A 47 149.477 -0.497 17.849 1.00 0.00 H new ATOM 0 HD2 TYR A 47 149.876 1.923 21.333 1.00 0.00 H new ATOM 0 HE1 TYR A 47 148.128 -2.107 19.118 1.00 0.00 H new ATOM 0 HE2 TYR A 47 148.530 0.309 22.607 1.00 0.00 H new ATOM 0 HH TYR A 47 147.396 -1.586 22.575 1.00 0.00 H new ATOM 775 N GLU A 48 153.349 2.076 20.390 1.00 0.00 N ATOM 776 CA GLU A 48 154.041 1.916 21.661 1.00 0.00 C ATOM 777 C GLU A 48 153.054 1.838 22.814 1.00 0.00 C ATOM 778 O GLU A 48 152.811 0.772 23.379 1.00 0.00 O ATOM 779 CB GLU A 48 155.023 3.069 21.883 1.00 0.00 C ATOM 780 CG GLU A 48 155.804 2.961 23.183 1.00 0.00 C ATOM 781 CD GLU A 48 157.022 2.068 23.058 1.00 0.00 C ATOM 782 OE1 GLU A 48 156.859 0.895 22.661 1.00 0.00 O ATOM 783 OE2 GLU A 48 158.138 2.542 23.355 1.00 0.00 O ATOM 0 H GLU A 48 153.385 3.020 20.006 1.00 0.00 H new ATOM 0 HA GLU A 48 154.598 0.980 21.626 1.00 0.00 H new ATOM 0 HB2 GLU A 48 155.724 3.104 21.049 1.00 0.00 H new ATOM 0 HB3 GLU A 48 154.473 4.010 21.876 1.00 0.00 H new ATOM 0 HG2 GLU A 48 156.118 3.956 23.498 1.00 0.00 H new ATOM 0 HG3 GLU A 48 155.151 2.571 23.964 1.00 0.00 H new ATOM 790 N ASN A 49 152.491 2.981 23.146 1.00 0.00 N ATOM 791 CA ASN A 49 151.521 3.082 24.231 1.00 0.00 C ATOM 792 C ASN A 49 150.986 4.506 24.339 1.00 0.00 C ATOM 793 O ASN A 49 149.784 4.740 24.211 1.00 0.00 O ATOM 794 CB ASN A 49 152.157 2.655 25.556 1.00 0.00 C ATOM 795 CG ASN A 49 151.344 1.594 26.271 1.00 0.00 C ATOM 796 OD1 ASN A 49 150.666 1.876 27.259 1.00 0.00 O ATOM 797 ND2 ASN A 49 151.408 0.364 25.774 1.00 0.00 N ATOM 0 H ASN A 49 152.687 3.866 22.678 1.00 0.00 H new ATOM 0 HA ASN A 49 150.688 2.414 24.011 1.00 0.00 H new ATOM 0 HB2 ASN A 49 153.161 2.274 25.368 1.00 0.00 H new ATOM 0 HB3 ASN A 49 152.262 3.526 26.203 1.00 0.00 H new ATOM 0 HD21 ASN A 49 150.882 -0.392 26.213 1.00 0.00 H new ATOM 0 HD22 ASN A 49 151.983 0.175 24.953 1.00 0.00 H new ATOM 804 N GLU A 50 151.889 5.452 24.570 1.00 0.00 N ATOM 805 CA GLU A 50 151.514 6.855 24.688 1.00 0.00 C ATOM 806 C GLU A 50 151.778 7.592 23.379 1.00 0.00 C ATOM 807 O GLU A 50 152.168 8.759 23.379 1.00 0.00 O ATOM 808 CB GLU A 50 152.290 7.520 25.827 1.00 0.00 C ATOM 809 CG GLU A 50 151.653 7.323 27.193 1.00 0.00 C ATOM 810 CD GLU A 50 152.444 7.983 28.306 1.00 0.00 C ATOM 811 OE1 GLU A 50 152.240 9.193 28.541 1.00 0.00 O ATOM 812 OE2 GLU A 50 153.265 7.291 28.941 1.00 0.00 O ATOM 0 H GLU A 50 152.887 5.272 24.679 1.00 0.00 H new ATOM 0 HA GLU A 50 150.448 6.906 24.910 1.00 0.00 H new ATOM 0 HB2 GLU A 50 153.304 7.120 25.847 1.00 0.00 H new ATOM 0 HB3 GLU A 50 152.373 8.588 25.624 1.00 0.00 H new ATOM 0 HG2 GLU A 50 150.642 7.730 27.180 1.00 0.00 H new ATOM 0 HG3 GLU A 50 151.565 6.256 27.398 1.00 0.00 H new ATOM 819 N ARG A 51 151.566 6.897 22.265 1.00 0.00 N ATOM 820 CA ARG A 51 151.784 7.477 20.945 1.00 0.00 C ATOM 821 C ARG A 51 153.264 7.761 20.715 1.00 0.00 C ATOM 822 O ARG A 51 153.640 8.850 20.281 1.00 0.00 O ATOM 823 CB ARG A 51 150.972 8.765 20.785 1.00 0.00 C ATOM 824 CG ARG A 51 149.506 8.611 21.157 1.00 0.00 C ATOM 825 CD ARG A 51 148.873 9.951 21.500 1.00 0.00 C ATOM 826 NE ARG A 51 148.639 10.094 22.936 1.00 0.00 N ATOM 827 CZ ARG A 51 148.440 11.262 23.542 1.00 0.00 C ATOM 828 NH1 ARG A 51 148.446 12.391 22.842 1.00 0.00 N ATOM 829 NH2 ARG A 51 148.236 11.304 24.851 1.00 0.00 N ATOM 0 H ARG A 51 151.243 5.930 22.251 1.00 0.00 H new ATOM 0 HA ARG A 51 151.450 6.755 20.200 1.00 0.00 H new ATOM 0 HB2 ARG A 51 151.416 9.544 21.405 1.00 0.00 H new ATOM 0 HB3 ARG A 51 151.042 9.103 19.751 1.00 0.00 H new ATOM 0 HG2 ARG A 51 148.966 8.154 20.328 1.00 0.00 H new ATOM 0 HG3 ARG A 51 149.415 7.936 22.008 1.00 0.00 H new ATOM 0 HD2 ARG A 51 149.521 10.757 21.156 1.00 0.00 H new ATOM 0 HD3 ARG A 51 147.928 10.053 20.967 1.00 0.00 H new ATOM 0 HE ARG A 51 148.628 9.249 23.507 1.00 0.00 H new ATOM 0 HH11 ARG A 51 148.604 12.366 21.835 1.00 0.00 H new ATOM 0 HH12 ARG A 51 148.293 13.283 23.312 1.00 0.00 H new ATOM 0 HH21 ARG A 51 148.232 10.441 25.394 1.00 0.00 H new ATOM 0 HH22 ARG A 51 148.084 12.200 25.315 1.00 0.00 H new ATOM 843 N GLU A 52 154.104 6.772 21.008 1.00 0.00 N ATOM 844 CA GLU A 52 155.545 6.918 20.832 1.00 0.00 C ATOM 845 C GLU A 52 155.974 6.498 19.430 1.00 0.00 C ATOM 846 O GLU A 52 157.029 6.907 18.944 1.00 0.00 O ATOM 847 CB GLU A 52 156.296 6.098 21.884 1.00 0.00 C ATOM 848 CG GLU A 52 157.141 6.943 22.823 1.00 0.00 C ATOM 849 CD GLU A 52 157.734 6.136 23.962 1.00 0.00 C ATOM 850 OE1 GLU A 52 156.955 5.588 24.769 1.00 0.00 O ATOM 851 OE2 GLU A 52 158.977 6.051 24.045 1.00 0.00 O ATOM 0 H GLU A 52 153.812 5.863 21.367 1.00 0.00 H new ATOM 0 HA GLU A 52 155.794 7.971 20.961 1.00 0.00 H new ATOM 0 HB2 GLU A 52 155.576 5.528 22.471 1.00 0.00 H new ATOM 0 HB3 GLU A 52 156.939 5.377 21.380 1.00 0.00 H new ATOM 0 HG2 GLU A 52 157.946 7.412 22.258 1.00 0.00 H new ATOM 0 HG3 GLU A 52 156.529 7.746 23.233 1.00 0.00 H new ATOM 858 N ILE A 53 155.146 5.690 18.790 1.00 0.00 N ATOM 859 CA ILE A 53 155.428 5.216 17.439 1.00 0.00 C ATOM 860 C ILE A 53 154.144 5.105 16.621 1.00 0.00 C ATOM 861 O ILE A 53 153.785 6.020 15.879 1.00 0.00 O ATOM 862 CB ILE A 53 156.198 3.865 17.451 1.00 0.00 C ATOM 863 CG1 ILE A 53 156.107 3.164 16.089 1.00 0.00 C ATOM 864 CG2 ILE A 53 155.697 2.951 18.562 1.00 0.00 C ATOM 865 CD1 ILE A 53 157.138 2.074 15.896 1.00 0.00 C ATOM 0 H ILE A 53 154.270 5.346 19.183 1.00 0.00 H new ATOM 0 HA ILE A 53 156.073 5.954 16.963 1.00 0.00 H new ATOM 0 HB ILE A 53 157.247 4.088 17.648 1.00 0.00 H new ATOM 0 HG12 ILE A 53 155.112 2.734 15.977 1.00 0.00 H new ATOM 0 HG13 ILE A 53 156.224 3.906 15.300 1.00 0.00 H new ATOM 0 HG21 ILE A 53 156.256 2.015 18.543 1.00 0.00 H new ATOM 0 HG22 ILE A 53 155.839 3.439 19.526 1.00 0.00 H new ATOM 0 HG23 ILE A 53 154.637 2.744 18.413 1.00 0.00 H new ATOM 0 HD11 ILE A 53 157.012 1.624 14.911 1.00 0.00 H new ATOM 0 HD12 ILE A 53 158.138 2.501 15.975 1.00 0.00 H new ATOM 0 HD13 ILE A 53 157.008 1.310 16.663 1.00 0.00 H new ATOM 877 N LYS A 54 153.466 3.985 16.763 1.00 0.00 N ATOM 878 CA LYS A 54 152.221 3.734 16.043 1.00 0.00 C ATOM 879 C LYS A 54 152.476 3.598 14.550 1.00 0.00 C ATOM 880 O LYS A 54 151.937 4.356 13.742 1.00 0.00 O ATOM 881 CB LYS A 54 151.214 4.857 16.301 1.00 0.00 C ATOM 882 CG LYS A 54 149.766 4.425 16.146 1.00 0.00 C ATOM 883 CD LYS A 54 148.837 5.278 16.995 1.00 0.00 C ATOM 884 CE LYS A 54 148.905 4.886 18.460 1.00 0.00 C ATOM 885 NZ LYS A 54 148.002 5.721 19.301 1.00 0.00 N ATOM 0 H LYS A 54 153.755 3.223 17.376 1.00 0.00 H new ATOM 0 HA LYS A 54 151.805 2.796 16.411 1.00 0.00 H new ATOM 0 HB2 LYS A 54 151.363 5.242 17.310 1.00 0.00 H new ATOM 0 HB3 LYS A 54 151.415 5.678 15.613 1.00 0.00 H new ATOM 0 HG2 LYS A 54 149.473 4.498 15.099 1.00 0.00 H new ATOM 0 HG3 LYS A 54 149.665 3.378 16.433 1.00 0.00 H new ATOM 0 HD2 LYS A 54 149.105 6.329 16.886 1.00 0.00 H new ATOM 0 HD3 LYS A 54 147.813 5.171 16.636 1.00 0.00 H new ATOM 0 HE2 LYS A 54 148.633 3.836 18.568 1.00 0.00 H new ATOM 0 HE3 LYS A 54 149.930 4.988 18.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 148.288 5.645 20.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 148.064 6.714 18.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 147.023 5.388 19.196 1.00 0.00 H new ATOM 899 N GLY A 55 153.300 2.623 14.186 1.00 0.00 N ATOM 900 CA GLY A 55 153.606 2.403 12.789 1.00 0.00 C ATOM 901 C GLY A 55 152.571 1.532 12.117 1.00 0.00 C ATOM 902 O GLY A 55 152.475 0.343 12.400 1.00 0.00 O ATOM 0 H GLY A 55 153.760 1.983 14.833 1.00 0.00 H new ATOM 0 HA2 GLY A 55 153.663 3.362 12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 55 154.587 1.935 12.701 1.00 0.00 H new ATOM 906 N TYR A 56 151.787 2.126 11.230 1.00 0.00 N ATOM 907 CA TYR A 56 150.752 1.384 10.530 1.00 0.00 C ATOM 908 C TYR A 56 151.072 1.262 9.047 1.00 0.00 C ATOM 909 O TYR A 56 151.123 2.260 8.327 1.00 0.00 O ATOM 910 CB TYR A 56 149.397 2.071 10.710 1.00 0.00 C ATOM 911 CG TYR A 56 149.357 3.482 10.172 1.00 0.00 C ATOM 912 CD1 TYR A 56 149.873 4.541 10.907 1.00 0.00 C ATOM 913 CD2 TYR A 56 148.802 3.756 8.927 1.00 0.00 C ATOM 914 CE1 TYR A 56 149.836 5.835 10.418 1.00 0.00 C ATOM 915 CE2 TYR A 56 148.763 5.045 8.432 1.00 0.00 C ATOM 916 CZ TYR A 56 149.282 6.079 9.181 1.00 0.00 C ATOM 917 OH TYR A 56 149.245 7.366 8.690 1.00 0.00 O ATOM 0 H TYR A 56 151.847 3.113 10.980 1.00 0.00 H new ATOM 0 HA TYR A 56 150.710 0.382 10.957 1.00 0.00 H new ATOM 0 HB2 TYR A 56 148.630 1.479 10.211 1.00 0.00 H new ATOM 0 HB3 TYR A 56 149.146 2.088 11.771 1.00 0.00 H new ATOM 0 HD1 TYR A 56 150.310 4.352 11.876 1.00 0.00 H new ATOM 0 HD2 TYR A 56 148.395 2.948 8.337 1.00 0.00 H new ATOM 0 HE1 TYR A 56 150.239 6.649 11.003 1.00 0.00 H new ATOM 0 HE2 TYR A 56 148.328 5.242 7.463 1.00 0.00 H new ATOM 0 HH TYR A 56 150.159 7.687 8.544 1.00 0.00 H new ATOM 927 N GLU A 57 151.281 0.033 8.592 1.00 0.00 N ATOM 928 CA GLU A 57 151.585 -0.212 7.188 1.00 0.00 C ATOM 929 C GLU A 57 150.306 -0.504 6.414 1.00 0.00 C ATOM 930 O GLU A 57 149.347 -1.047 6.964 1.00 0.00 O ATOM 931 CB GLU A 57 152.571 -1.372 7.039 1.00 0.00 C ATOM 932 CG GLU A 57 153.979 -1.036 7.505 1.00 0.00 C ATOM 933 CD GLU A 57 154.553 -2.085 8.436 1.00 0.00 C ATOM 934 OE1 GLU A 57 154.347 -1.968 9.662 1.00 0.00 O ATOM 935 OE2 GLU A 57 155.211 -3.024 7.939 1.00 0.00 O ATOM 0 H GLU A 57 151.246 -0.806 9.171 1.00 0.00 H new ATOM 0 HA GLU A 57 152.048 0.685 6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 57 152.203 -2.226 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 57 152.606 -1.676 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 57 154.630 -0.932 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 57 153.969 -0.072 8.013 1.00 0.00 H new ATOM 942 N TYR A 58 150.291 -0.128 5.142 1.00 0.00 N ATOM 943 CA TYR A 58 149.118 -0.338 4.303 1.00 0.00 C ATOM 944 C TYR A 58 149.506 -0.885 2.932 1.00 0.00 C ATOM 945 O TYR A 58 150.050 -0.164 2.097 1.00 0.00 O ATOM 946 CB TYR A 58 148.355 0.979 4.147 1.00 0.00 C ATOM 947 CG TYR A 58 146.856 0.816 4.060 1.00 0.00 C ATOM 948 CD1 TYR A 58 146.185 -0.055 4.907 1.00 0.00 C ATOM 949 CD2 TYR A 58 146.113 1.536 3.135 1.00 0.00 C ATOM 950 CE1 TYR A 58 144.814 -0.205 4.834 1.00 0.00 C ATOM 951 CE2 TYR A 58 144.740 1.393 3.056 1.00 0.00 C ATOM 952 CZ TYR A 58 144.095 0.521 3.907 1.00 0.00 C ATOM 953 OH TYR A 58 142.729 0.374 3.831 1.00 0.00 O ATOM 0 H TYR A 58 151.075 0.322 4.670 1.00 0.00 H new ATOM 0 HA TYR A 58 148.478 -1.076 4.788 1.00 0.00 H new ATOM 0 HB2 TYR A 58 148.591 1.626 4.992 1.00 0.00 H new ATOM 0 HB3 TYR A 58 148.707 1.487 3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 58 146.744 -0.625 5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 58 146.615 2.219 2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 58 144.307 -0.888 5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 58 144.176 1.961 2.331 1.00 0.00 H new ATOM 0 HH TYR A 58 142.477 0.124 2.917 1.00 0.00 H new ATOM 963 N GLN A 59 149.214 -2.163 2.707 1.00 0.00 N ATOM 964 CA GLN A 59 149.524 -2.808 1.436 1.00 0.00 C ATOM 965 C GLN A 59 148.259 -2.987 0.602 1.00 0.00 C ATOM 966 O GLN A 59 147.170 -3.171 1.147 1.00 0.00 O ATOM 967 CB GLN A 59 150.187 -4.167 1.673 1.00 0.00 C ATOM 968 CG GLN A 59 151.222 -4.156 2.787 1.00 0.00 C ATOM 969 CD GLN A 59 151.672 -5.551 3.176 1.00 0.00 C ATOM 970 OE1 GLN A 59 151.864 -6.415 2.321 1.00 0.00 O ATOM 971 NE2 GLN A 59 151.841 -5.779 4.474 1.00 0.00 N ATOM 0 H GLN A 59 148.763 -2.772 3.389 1.00 0.00 H new ATOM 0 HA GLN A 59 150.217 -2.167 0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 59 149.417 -4.900 1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 59 150.664 -4.495 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 59 152.087 -3.574 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 59 150.805 -3.655 3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 59 151.671 -5.034 5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 59 152.141 -6.699 4.795 1.00 0.00 H new ATOM 980 N LEU A 60 148.403 -2.930 -0.719 1.00 0.00 N ATOM 981 CA LEU A 60 147.267 -3.086 -1.614 1.00 0.00 C ATOM 982 C LEU A 60 147.702 -3.596 -2.986 1.00 0.00 C ATOM 983 O LEU A 60 148.798 -3.290 -3.456 1.00 0.00 O ATOM 984 CB LEU A 60 146.524 -1.753 -1.768 1.00 0.00 C ATOM 985 CG LEU A 60 145.020 -1.793 -1.479 1.00 0.00 C ATOM 986 CD1 LEU A 60 144.346 -2.892 -2.283 1.00 0.00 C ATOM 987 CD2 LEU A 60 144.761 -1.976 0.009 1.00 0.00 C ATOM 0 H LEU A 60 149.295 -2.777 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 60 146.598 -3.825 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 60 146.984 -1.023 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 60 146.670 -1.392 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 60 144.590 -0.838 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 60 143.279 -2.902 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 60 144.495 -2.708 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 60 144.781 -3.856 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 60 143.687 -2.002 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 60 145.208 -2.912 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 60 145.203 -1.146 0.560 1.00 0.00 H new ATOM 999 N TYR A 61 146.822 -4.358 -3.630 1.00 0.00 N ATOM 1000 CA TYR A 61 147.093 -4.893 -4.957 1.00 0.00 C ATOM 1001 C TYR A 61 146.256 -4.144 -5.987 1.00 0.00 C ATOM 1002 O TYR A 61 145.120 -4.524 -6.275 1.00 0.00 O ATOM 1003 CB TYR A 61 146.775 -6.387 -5.001 1.00 0.00 C ATOM 1004 CG TYR A 61 147.830 -7.256 -4.354 1.00 0.00 C ATOM 1005 CD1 TYR A 61 148.080 -7.175 -2.990 1.00 0.00 C ATOM 1006 CD2 TYR A 61 148.573 -8.157 -5.105 1.00 0.00 C ATOM 1007 CE1 TYR A 61 149.041 -7.968 -2.392 1.00 0.00 C ATOM 1008 CE2 TYR A 61 149.535 -8.954 -4.514 1.00 0.00 C ATOM 1009 CZ TYR A 61 149.765 -8.856 -3.158 1.00 0.00 C ATOM 1010 OH TYR A 61 150.721 -9.649 -2.566 1.00 0.00 O ATOM 0 H TYR A 61 145.912 -4.619 -3.250 1.00 0.00 H new ATOM 0 HA TYR A 61 148.150 -4.760 -5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 61 145.820 -6.560 -4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 61 146.654 -6.692 -6.040 1.00 0.00 H new ATOM 0 HD1 TYR A 61 147.514 -6.481 -2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 61 148.396 -8.236 -6.168 1.00 0.00 H new ATOM 0 HE1 TYR A 61 149.224 -7.892 -1.330 1.00 0.00 H new ATOM 0 HE2 TYR A 61 150.104 -9.651 -5.112 1.00 0.00 H new ATOM 0 HH TYR A 61 151.139 -10.219 -3.245 1.00 0.00 H new ATOM 1020 N VAL A 62 146.810 -3.060 -6.517 1.00 0.00 N ATOM 1021 CA VAL A 62 146.098 -2.239 -7.488 1.00 0.00 C ATOM 1022 C VAL A 62 145.977 -2.924 -8.843 1.00 0.00 C ATOM 1023 O VAL A 62 146.802 -2.715 -9.733 1.00 0.00 O ATOM 1024 CB VAL A 62 146.779 -0.868 -7.674 1.00 0.00 C ATOM 1025 CG1 VAL A 62 146.697 -0.049 -6.393 1.00 0.00 C ATOM 1026 CG2 VAL A 62 148.224 -1.037 -8.116 1.00 0.00 C ATOM 0 H VAL A 62 147.748 -2.730 -6.291 1.00 0.00 H new ATOM 0 HA VAL A 62 145.097 -2.093 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 62 146.248 -0.328 -8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 62 147.183 0.915 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 62 145.651 0.110 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 62 147.198 -0.584 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 62 148.683 -0.056 -8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 62 148.772 -1.601 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 62 148.254 -1.575 -9.064 1.00 0.00 H new ATOM 1036 N TYR A 63 144.929 -3.726 -9.006 1.00 0.00 N ATOM 1037 CA TYR A 63 144.692 -4.413 -10.269 1.00 0.00 C ATOM 1038 C TYR A 63 144.068 -3.447 -11.269 1.00 0.00 C ATOM 1039 O TYR A 63 142.851 -3.430 -11.460 1.00 0.00 O ATOM 1040 CB TYR A 63 143.784 -5.629 -10.063 1.00 0.00 C ATOM 1041 CG TYR A 63 143.686 -6.529 -11.275 1.00 0.00 C ATOM 1042 CD1 TYR A 63 142.783 -6.256 -12.295 1.00 0.00 C ATOM 1043 CD2 TYR A 63 144.495 -7.650 -11.398 1.00 0.00 C ATOM 1044 CE1 TYR A 63 142.690 -7.076 -13.403 1.00 0.00 C ATOM 1045 CE2 TYR A 63 144.408 -8.474 -12.504 1.00 0.00 C ATOM 1046 CZ TYR A 63 143.504 -8.183 -13.503 1.00 0.00 C ATOM 1047 OH TYR A 63 143.414 -9.002 -14.605 1.00 0.00 O ATOM 0 H TYR A 63 144.235 -3.915 -8.283 1.00 0.00 H new ATOM 0 HA TYR A 63 145.646 -4.767 -10.661 1.00 0.00 H new ATOM 0 HB2 TYR A 63 144.156 -6.210 -9.219 1.00 0.00 H new ATOM 0 HB3 TYR A 63 142.785 -5.284 -9.796 1.00 0.00 H new ATOM 0 HD1 TYR A 63 142.144 -5.389 -12.221 1.00 0.00 H new ATOM 0 HD2 TYR A 63 145.204 -7.882 -10.617 1.00 0.00 H new ATOM 0 HE1 TYR A 63 141.982 -6.850 -14.187 1.00 0.00 H new ATOM 0 HE2 TYR A 63 145.045 -9.342 -12.585 1.00 0.00 H new ATOM 0 HH TYR A 63 144.057 -9.736 -14.520 1.00 0.00 H new ATOM 1057 N ALA A 64 144.909 -2.627 -11.888 1.00 0.00 N ATOM 1058 CA ALA A 64 144.443 -1.640 -12.852 1.00 0.00 C ATOM 1059 C ALA A 64 144.281 -2.245 -14.240 1.00 0.00 C ATOM 1060 O ALA A 64 144.504 -3.438 -14.441 1.00 0.00 O ATOM 1061 CB ALA A 64 145.401 -0.461 -12.898 1.00 0.00 C ATOM 0 H ALA A 64 145.918 -2.627 -11.739 1.00 0.00 H new ATOM 0 HA ALA A 64 143.462 -1.292 -12.527 1.00 0.00 H new ATOM 0 HB1 ALA A 64 145.043 0.271 -13.622 1.00 0.00 H new ATOM 0 HB2 ALA A 64 145.457 0.001 -11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 64 146.391 -0.808 -13.193 1.00 0.00 H new ATOM 1067 N SER A 65 143.890 -1.408 -15.194 1.00 0.00 N ATOM 1068 CA SER A 65 143.696 -1.852 -16.568 1.00 0.00 C ATOM 1069 C SER A 65 144.993 -2.408 -17.148 1.00 0.00 C ATOM 1070 O SER A 65 144.988 -3.423 -17.845 1.00 0.00 O ATOM 1071 CB SER A 65 143.190 -0.696 -17.436 1.00 0.00 C ATOM 1072 OG SER A 65 143.631 0.551 -16.931 1.00 0.00 O ATOM 0 H SER A 65 143.701 -0.417 -15.040 1.00 0.00 H new ATOM 0 HA SER A 65 142.950 -2.646 -16.564 1.00 0.00 H new ATOM 0 HB2 SER A 65 143.544 -0.823 -18.459 1.00 0.00 H new ATOM 0 HB3 SER A 65 142.101 -0.713 -17.471 1.00 0.00 H new ATOM 0 HG SER A 65 143.296 1.273 -17.503 1.00 0.00 H new ATOM 1078 N ASP A 66 146.102 -1.733 -16.859 1.00 0.00 N ATOM 1079 CA ASP A 66 147.406 -2.155 -17.352 1.00 0.00 C ATOM 1080 C ASP A 66 147.684 -3.606 -16.998 1.00 0.00 C ATOM 1081 O ASP A 66 147.999 -4.426 -17.859 1.00 0.00 O ATOM 1082 CB ASP A 66 148.505 -1.255 -16.786 1.00 0.00 C ATOM 1083 CG ASP A 66 149.472 -0.780 -17.853 1.00 0.00 C ATOM 1084 OD1 ASP A 66 149.027 -0.071 -18.782 1.00 0.00 O ATOM 1085 OD2 ASP A 66 150.670 -1.116 -17.762 1.00 0.00 O ATOM 0 H ASP A 66 146.122 -0.890 -16.285 1.00 0.00 H new ATOM 0 HA ASP A 66 147.399 -2.066 -18.438 1.00 0.00 H new ATOM 0 HB2 ASP A 66 148.050 -0.391 -16.302 1.00 0.00 H new ATOM 0 HB3 ASP A 66 149.055 -1.798 -16.017 1.00 0.00 H new ATOM 1090 N LYS A 67 147.560 -3.903 -15.721 1.00 0.00 N ATOM 1091 CA LYS A 67 147.789 -5.249 -15.206 1.00 0.00 C ATOM 1092 C LYS A 67 147.592 -5.298 -13.694 1.00 0.00 C ATOM 1093 O LYS A 67 147.166 -4.319 -13.080 1.00 0.00 O ATOM 1094 CB LYS A 67 149.202 -5.720 -15.562 1.00 0.00 C ATOM 1095 CG LYS A 67 149.254 -6.588 -16.809 1.00 0.00 C ATOM 1096 CD LYS A 67 149.608 -8.031 -16.480 1.00 0.00 C ATOM 1097 CE LYS A 67 148.470 -8.978 -16.829 1.00 0.00 C ATOM 1098 NZ LYS A 67 147.206 -8.607 -16.136 1.00 0.00 N ATOM 0 H LYS A 67 147.298 -3.223 -15.007 1.00 0.00 H new ATOM 0 HA LYS A 67 147.061 -5.915 -15.670 1.00 0.00 H new ATOM 0 HB2 LYS A 67 149.841 -4.849 -15.708 1.00 0.00 H new ATOM 0 HB3 LYS A 67 149.613 -6.280 -14.722 1.00 0.00 H new ATOM 0 HG2 LYS A 67 148.288 -6.557 -17.314 1.00 0.00 H new ATOM 0 HG3 LYS A 67 149.990 -6.183 -17.503 1.00 0.00 H new ATOM 0 HD2 LYS A 67 150.505 -8.321 -17.028 1.00 0.00 H new ATOM 0 HD3 LYS A 67 149.841 -8.117 -15.419 1.00 0.00 H new ATOM 0 HE2 LYS A 67 148.309 -8.970 -17.907 1.00 0.00 H new ATOM 0 HE3 LYS A 67 148.748 -9.996 -16.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 146.632 -9.460 -15.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 147.428 -8.168 -15.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 146.673 -7.933 -16.723 1.00 0.00 H new ATOM 1112 N LEU A 68 147.905 -6.447 -13.101 1.00 0.00 N ATOM 1113 CA LEU A 68 147.765 -6.628 -11.662 1.00 0.00 C ATOM 1114 C LEU A 68 148.943 -6.009 -10.918 1.00 0.00 C ATOM 1115 O LEU A 68 149.965 -6.661 -10.700 1.00 0.00 O ATOM 1116 CB LEU A 68 147.660 -8.118 -11.323 1.00 0.00 C ATOM 1117 CG LEU A 68 148.874 -8.960 -11.725 1.00 0.00 C ATOM 1118 CD1 LEU A 68 149.500 -9.618 -10.504 1.00 0.00 C ATOM 1119 CD2 LEU A 68 148.480 -10.011 -12.754 1.00 0.00 C ATOM 0 H LEU A 68 148.257 -7.266 -13.596 1.00 0.00 H new ATOM 0 HA LEU A 68 146.852 -6.123 -11.345 1.00 0.00 H new ATOM 0 HB2 LEU A 68 147.505 -8.221 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 68 146.776 -8.525 -11.813 1.00 0.00 H new ATOM 0 HG LEU A 68 149.614 -8.298 -12.175 1.00 0.00 H new ATOM 0 HD11 LEU A 68 150.361 -10.212 -10.812 1.00 0.00 H new ATOM 0 HD12 LEU A 68 149.822 -8.849 -9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 68 148.766 -10.265 -10.023 1.00 0.00 H new ATOM 0 HD21 LEU A 68 149.356 -10.599 -13.027 1.00 0.00 H new ATOM 0 HD22 LEU A 68 147.720 -10.667 -12.331 1.00 0.00 H new ATOM 0 HD23 LEU A 68 148.082 -9.520 -13.642 1.00 0.00 H new ATOM 1131 N PHE A 69 148.796 -4.747 -10.529 1.00 0.00 N ATOM 1132 CA PHE A 69 149.850 -4.043 -9.809 1.00 0.00 C ATOM 1133 C PHE A 69 149.627 -4.127 -8.303 1.00 0.00 C ATOM 1134 O PHE A 69 148.571 -4.560 -7.842 1.00 0.00 O ATOM 1135 CB PHE A 69 149.909 -2.580 -10.251 1.00 0.00 C ATOM 1136 CG PHE A 69 150.719 -2.360 -11.496 1.00 0.00 C ATOM 1137 CD1 PHE A 69 150.277 -2.834 -12.720 1.00 0.00 C ATOM 1138 CD2 PHE A 69 151.925 -1.679 -11.442 1.00 0.00 C ATOM 1139 CE1 PHE A 69 151.021 -2.634 -13.866 1.00 0.00 C ATOM 1140 CE2 PHE A 69 152.674 -1.475 -12.585 1.00 0.00 C ATOM 1141 CZ PHE A 69 152.220 -1.953 -13.800 1.00 0.00 C ATOM 0 H PHE A 69 147.958 -4.191 -10.700 1.00 0.00 H new ATOM 0 HA PHE A 69 150.801 -4.522 -10.043 1.00 0.00 H new ATOM 0 HB2 PHE A 69 148.894 -2.219 -10.419 1.00 0.00 H new ATOM 0 HB3 PHE A 69 150.330 -1.982 -9.443 1.00 0.00 H new ATOM 0 HD1 PHE A 69 149.339 -3.366 -12.779 1.00 0.00 H new ATOM 0 HD2 PHE A 69 152.284 -1.303 -10.495 1.00 0.00 H new ATOM 0 HE1 PHE A 69 150.665 -3.010 -14.814 1.00 0.00 H new ATOM 0 HE2 PHE A 69 153.612 -0.943 -12.529 1.00 0.00 H new ATOM 0 HZ PHE A 69 152.802 -1.794 -14.696 1.00 0.00 H new ATOM 1151 N ARG A 70 150.625 -3.701 -7.538 1.00 0.00 N ATOM 1152 CA ARG A 70 150.535 -3.725 -6.092 1.00 0.00 C ATOM 1153 C ARG A 70 151.406 -2.641 -5.468 1.00 0.00 C ATOM 1154 O ARG A 70 152.571 -2.480 -5.833 1.00 0.00 O ATOM 1155 CB ARG A 70 150.936 -5.102 -5.559 1.00 0.00 C ATOM 1156 CG ARG A 70 150.899 -5.208 -4.042 1.00 0.00 C ATOM 1157 CD ARG A 70 151.855 -6.276 -3.537 1.00 0.00 C ATOM 1158 NE ARG A 70 153.212 -6.080 -4.041 1.00 0.00 N ATOM 1159 CZ ARG A 70 154.084 -5.220 -3.516 1.00 0.00 C ATOM 1160 NH1 ARG A 70 153.741 -4.471 -2.475 1.00 0.00 N ATOM 1161 NH2 ARG A 70 155.298 -5.109 -4.033 1.00 0.00 N ATOM 0 H ARG A 70 151.505 -3.335 -7.900 1.00 0.00 H new ATOM 0 HA ARG A 70 149.500 -3.526 -5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 70 150.270 -5.853 -5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 70 151.942 -5.337 -5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 70 151.161 -4.246 -3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 70 149.885 -5.442 -3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 70 151.868 -6.264 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 70 151.494 -7.259 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 70 153.510 -6.635 -4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 70 152.807 -4.553 -2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 70 154.412 -3.814 -2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 70 155.566 -5.682 -4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 70 155.965 -4.451 -3.631 1.00 0.00 H new ATOM 1175 N ALA A 71 150.833 -1.906 -4.522 1.00 0.00 N ATOM 1176 CA ALA A 71 151.553 -0.841 -3.840 1.00 0.00 C ATOM 1177 C ALA A 71 151.750 -1.184 -2.370 1.00 0.00 C ATOM 1178 O ALA A 71 151.086 -2.080 -1.847 1.00 0.00 O ATOM 1179 CB ALA A 71 150.811 0.478 -3.984 1.00 0.00 C ATOM 0 H ALA A 71 149.870 -2.030 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 71 152.535 -0.738 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 71 151.363 1.264 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 71 150.721 0.731 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 71 149.817 0.386 -3.547 1.00 0.00 H new ATOM 1185 N ASP A 72 152.659 -0.481 -1.697 1.00 0.00 N ATOM 1186 CA ASP A 72 152.904 -0.755 -0.288 1.00 0.00 C ATOM 1187 C ASP A 72 153.109 0.535 0.497 1.00 0.00 C ATOM 1188 O ASP A 72 153.830 1.432 0.063 1.00 0.00 O ATOM 1189 CB ASP A 72 154.124 -1.665 -0.127 1.00 0.00 C ATOM 1190 CG ASP A 72 153.895 -2.765 0.891 1.00 0.00 C ATOM 1191 OD1 ASP A 72 153.240 -3.768 0.541 1.00 0.00 O ATOM 1192 OD2 ASP A 72 154.369 -2.622 2.037 1.00 0.00 O ATOM 0 H ASP A 72 153.226 0.267 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 72 152.025 -1.261 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 72 154.371 -2.111 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 72 154.983 -1.066 0.176 1.00 0.00 H new ATOM 1197 N ILE A 73 152.471 0.614 1.659 1.00 0.00 N ATOM 1198 CA ILE A 73 152.582 1.789 2.511 1.00 0.00 C ATOM 1199 C ILE A 73 153.149 1.420 3.875 1.00 0.00 C ATOM 1200 O ILE A 73 153.047 0.275 4.316 1.00 0.00 O ATOM 1201 CB ILE A 73 151.220 2.480 2.703 1.00 0.00 C ATOM 1202 CG1 ILE A 73 150.534 2.692 1.352 1.00 0.00 C ATOM 1203 CG2 ILE A 73 151.399 3.806 3.429 1.00 0.00 C ATOM 1204 CD1 ILE A 73 149.207 3.414 1.449 1.00 0.00 C ATOM 0 H ILE A 73 151.872 -0.122 2.032 1.00 0.00 H new ATOM 0 HA ILE A 73 153.260 2.480 2.010 1.00 0.00 H new ATOM 0 HB ILE A 73 150.585 1.837 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 73 151.200 3.260 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 73 150.376 1.723 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 73 150.428 4.284 3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 73 151.849 3.628 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 73 152.049 4.457 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 73 148.781 3.528 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 73 148.524 2.837 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 73 149.360 4.398 1.893 1.00 0.00 H new ATOM 1216 N SER A 74 153.746 2.400 4.538 1.00 0.00 N ATOM 1217 CA SER A 74 154.334 2.192 5.855 1.00 0.00 C ATOM 1218 C SER A 74 154.557 3.526 6.552 1.00 0.00 C ATOM 1219 O SER A 74 155.190 4.422 5.997 1.00 0.00 O ATOM 1220 CB SER A 74 155.662 1.444 5.727 1.00 0.00 C ATOM 1221 OG SER A 74 156.483 2.026 4.727 1.00 0.00 O ATOM 0 H SER A 74 153.837 3.352 4.184 1.00 0.00 H new ATOM 0 HA SER A 74 153.645 1.594 6.452 1.00 0.00 H new ATOM 0 HB2 SER A 74 156.184 1.458 6.684 1.00 0.00 H new ATOM 0 HB3 SER A 74 155.472 0.399 5.483 1.00 0.00 H new ATOM 0 HG SER A 74 156.384 3.001 4.749 1.00 0.00 H new ATOM 1227 N GLU A 75 154.036 3.657 7.768 1.00 0.00 N ATOM 1228 CA GLU A 75 154.189 4.889 8.531 1.00 0.00 C ATOM 1229 C GLU A 75 154.603 4.572 9.955 1.00 0.00 C ATOM 1230 O GLU A 75 153.782 4.641 10.867 1.00 0.00 O ATOM 1231 CB GLU A 75 152.881 5.690 8.536 1.00 0.00 C ATOM 1232 CG GLU A 75 152.082 5.585 7.244 1.00 0.00 C ATOM 1233 CD GLU A 75 151.640 6.936 6.719 1.00 0.00 C ATOM 1234 OE1 GLU A 75 151.405 7.846 7.543 1.00 0.00 O ATOM 1235 OE2 GLU A 75 151.528 7.086 5.484 1.00 0.00 O ATOM 0 H GLU A 75 153.506 2.927 8.244 1.00 0.00 H new ATOM 0 HA GLU A 75 154.964 5.491 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 75 152.260 5.346 9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 75 153.111 6.739 8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 75 152.687 5.086 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 75 151.205 4.961 7.414 1.00 0.00 H new ATOM 1242 N ASP A 76 155.870 4.208 10.150 1.00 0.00 N ATOM 1243 CA ASP A 76 156.343 3.864 11.474 1.00 0.00 C ATOM 1244 C ASP A 76 157.289 4.914 12.032 1.00 0.00 C ATOM 1245 O ASP A 76 157.545 5.941 11.405 1.00 0.00 O ATOM 1246 CB ASP A 76 157.022 2.495 11.464 1.00 0.00 C ATOM 1247 CG ASP A 76 156.126 1.406 10.909 1.00 0.00 C ATOM 1248 OD1 ASP A 76 155.416 1.669 9.917 1.00 0.00 O ATOM 1249 OD2 ASP A 76 156.135 0.288 11.467 1.00 0.00 O ATOM 0 H ASP A 76 156.573 4.147 9.413 1.00 0.00 H new ATOM 0 HA ASP A 76 155.471 3.825 12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 76 157.933 2.550 10.869 1.00 0.00 H new ATOM 0 HB3 ASP A 76 157.320 2.233 12.479 1.00 0.00 H new ATOM 1342 N ARG A 82 157.718 7.047 6.928 1.00 0.00 N ATOM 1343 CA ARG A 82 156.297 7.243 6.701 1.00 0.00 C ATOM 1344 C ARG A 82 156.044 7.747 5.285 1.00 0.00 C ATOM 1345 O ARG A 82 156.414 8.869 4.943 1.00 0.00 O ATOM 1346 CB ARG A 82 155.728 8.221 7.735 1.00 0.00 C ATOM 1347 CG ARG A 82 154.328 8.723 7.412 1.00 0.00 C ATOM 1348 CD ARG A 82 154.361 10.126 6.828 1.00 0.00 C ATOM 1349 NE ARG A 82 153.263 10.358 5.892 1.00 0.00 N ATOM 1350 CZ ARG A 82 152.030 10.695 6.262 1.00 0.00 C ATOM 1351 NH1 ARG A 82 151.730 10.833 7.548 1.00 0.00 N ATOM 1352 NH2 ARG A 82 151.095 10.893 5.343 1.00 0.00 N ATOM 0 HA ARG A 82 155.790 6.285 6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 82 155.711 7.733 8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 82 156.399 9.076 7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 82 153.851 8.044 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 82 153.721 8.719 8.317 1.00 0.00 H new ATOM 0 HD2 ARG A 82 154.308 10.856 7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 82 155.311 10.283 6.318 1.00 0.00 H new ATOM 0 HE ARG A 82 153.453 10.255 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 82 152.446 10.681 8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 82 150.783 11.091 7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 82 151.321 10.787 4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 82 150.149 11.151 5.625 1.00 0.00 H new ATOM 1366 N LYS A 83 155.412 6.910 4.459 1.00 0.00 N ATOM 1367 CA LYS A 83 155.121 7.290 3.078 1.00 0.00 C ATOM 1368 C LYS A 83 154.602 6.124 2.243 1.00 0.00 C ATOM 1369 O LYS A 83 154.813 4.957 2.572 1.00 0.00 O ATOM 1370 CB LYS A 83 156.374 7.864 2.409 1.00 0.00 C ATOM 1371 CG LYS A 83 157.649 7.112 2.754 1.00 0.00 C ATOM 1372 CD LYS A 83 158.483 6.818 1.516 1.00 0.00 C ATOM 1373 CE LYS A 83 159.661 7.771 1.397 1.00 0.00 C ATOM 1374 NZ LYS A 83 160.494 7.478 0.197 1.00 0.00 N ATOM 0 H LYS A 83 155.096 5.976 4.720 1.00 0.00 H new ATOM 0 HA LYS A 83 154.335 8.044 3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 83 156.236 7.851 1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 83 156.487 8.907 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 83 158.238 7.699 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 83 157.396 6.176 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 83 158.847 5.791 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 83 157.857 6.899 0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 83 159.295 8.796 1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 83 160.278 7.700 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 161.287 8.150 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 160.865 6.508 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 159.913 7.571 -0.660 1.00 0.00 H new ATOM 1388 N LEU A 84 153.949 6.473 1.135 1.00 0.00 N ATOM 1389 CA LEU A 84 153.420 5.492 0.192 1.00 0.00 C ATOM 1390 C LEU A 84 154.348 5.450 -1.014 1.00 0.00 C ATOM 1391 O LEU A 84 154.808 6.493 -1.478 1.00 0.00 O ATOM 1392 CB LEU A 84 152.000 5.862 -0.240 1.00 0.00 C ATOM 1393 CG LEU A 84 151.066 6.303 0.890 1.00 0.00 C ATOM 1394 CD1 LEU A 84 151.420 7.704 1.364 1.00 0.00 C ATOM 1395 CD2 LEU A 84 149.616 6.243 0.436 1.00 0.00 C ATOM 0 H LEU A 84 153.773 7.441 0.868 1.00 0.00 H new ATOM 0 HA LEU A 84 153.372 4.512 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 84 152.059 6.665 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 84 151.555 5.003 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 84 151.194 5.617 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 84 150.744 7.998 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 84 152.446 7.715 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 84 151.324 8.404 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 84 148.966 6.560 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 84 149.475 6.905 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 84 149.367 5.221 0.149 1.00 0.00 H new ATOM 1407 N LEU A 85 154.675 4.257 -1.493 1.00 0.00 N ATOM 1408 CA LEU A 85 155.610 4.142 -2.604 1.00 0.00 C ATOM 1409 C LEU A 85 155.320 2.945 -3.506 1.00 0.00 C ATOM 1410 O LEU A 85 154.759 3.106 -4.588 1.00 0.00 O ATOM 1411 CB LEU A 85 157.036 4.044 -2.052 1.00 0.00 C ATOM 1412 CG LEU A 85 157.139 3.503 -0.623 1.00 0.00 C ATOM 1413 CD1 LEU A 85 158.560 3.063 -0.321 1.00 0.00 C ATOM 1414 CD2 LEU A 85 156.689 4.556 0.383 1.00 0.00 C ATOM 0 H LEU A 85 154.315 3.371 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 85 155.495 5.033 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 85 157.622 3.403 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 85 157.491 5.034 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 85 156.481 2.638 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 85 158.614 2.682 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 85 158.854 2.278 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 85 159.234 3.913 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 85 156.769 4.153 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 85 157.322 5.439 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 85 155.653 4.831 0.184 1.00 0.00 H new ATOM 1426 N ARG A 86 155.735 1.751 -3.060 1.00 0.00 N ATOM 1427 CA ARG A 86 155.557 0.513 -3.827 1.00 0.00 C ATOM 1428 C ARG A 86 154.448 0.639 -4.864 1.00 0.00 C ATOM 1429 O ARG A 86 153.351 1.103 -4.554 1.00 0.00 O ATOM 1430 CB ARG A 86 155.271 -0.658 -2.885 1.00 0.00 C ATOM 1431 CG ARG A 86 156.359 -1.717 -2.887 1.00 0.00 C ATOM 1432 CD ARG A 86 157.530 -1.313 -2.007 1.00 0.00 C ATOM 1433 NE ARG A 86 157.361 -1.764 -0.629 1.00 0.00 N ATOM 1434 CZ ARG A 86 157.334 -3.044 -0.266 1.00 0.00 C ATOM 1435 NH1 ARG A 86 157.463 -4.002 -1.175 1.00 0.00 N ATOM 1436 NH2 ARG A 86 157.176 -3.368 1.011 1.00 0.00 N ATOM 0 H ARG A 86 156.201 1.618 -2.162 1.00 0.00 H new ATOM 0 HA ARG A 86 156.487 0.324 -4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 86 155.148 -0.277 -1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 86 154.325 -1.120 -3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 86 155.948 -2.663 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 86 156.708 -1.880 -3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 86 158.451 -1.731 -2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 86 157.638 -0.228 -2.023 1.00 0.00 H new ATOM 0 HE ARG A 86 157.258 -1.056 0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 86 157.584 -3.759 -2.158 1.00 0.00 H new ATOM 0 HH12 ARG A 86 157.442 -4.981 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 86 157.075 -2.636 1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 86 157.155 -4.349 1.289 1.00 0.00 H new ATOM 1450 N PHE A 87 154.753 0.239 -6.094 1.00 0.00 N ATOM 1451 CA PHE A 87 153.795 0.314 -7.190 1.00 0.00 C ATOM 1452 C PHE A 87 154.297 -0.471 -8.400 1.00 0.00 C ATOM 1453 O PHE A 87 154.857 0.102 -9.335 1.00 0.00 O ATOM 1454 CB PHE A 87 153.553 1.777 -7.576 1.00 0.00 C ATOM 1455 CG PHE A 87 152.103 2.165 -7.587 1.00 0.00 C ATOM 1456 CD1 PHE A 87 151.308 1.894 -8.688 1.00 0.00 C ATOM 1457 CD2 PHE A 87 151.537 2.803 -6.496 1.00 0.00 C ATOM 1458 CE1 PHE A 87 149.973 2.252 -8.701 1.00 0.00 C ATOM 1459 CE2 PHE A 87 150.203 3.164 -6.502 1.00 0.00 C ATOM 1460 CZ PHE A 87 149.419 2.888 -7.607 1.00 0.00 C ATOM 0 H PHE A 87 155.662 -0.142 -6.357 1.00 0.00 H new ATOM 0 HA PHE A 87 152.855 -0.128 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 87 154.087 2.421 -6.878 1.00 0.00 H new ATOM 0 HB3 PHE A 87 153.976 1.958 -8.564 1.00 0.00 H new ATOM 0 HD1 PHE A 87 151.736 1.397 -9.546 1.00 0.00 H new ATOM 0 HD2 PHE A 87 152.145 3.021 -5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 87 149.364 2.035 -9.566 1.00 0.00 H new ATOM 0 HE2 PHE A 87 149.773 3.661 -5.645 1.00 0.00 H new ATOM 0 HZ PHE A 87 148.376 3.169 -7.615 1.00 0.00 H new ATOM 1470 N ASN A 88 154.097 -1.785 -8.376 1.00 0.00 N ATOM 1471 CA ASN A 88 154.536 -2.643 -9.470 1.00 0.00 C ATOM 1472 C ASN A 88 153.599 -3.835 -9.644 1.00 0.00 C ATOM 1473 O ASN A 88 152.870 -4.204 -8.723 1.00 0.00 O ATOM 1474 CB ASN A 88 155.965 -3.134 -9.218 1.00 0.00 C ATOM 1475 CG ASN A 88 156.980 -2.436 -10.103 1.00 0.00 C ATOM 1476 OD1 ASN A 88 157.637 -1.485 -9.682 1.00 0.00 O ATOM 1477 ND2 ASN A 88 157.112 -2.908 -11.337 1.00 0.00 N ATOM 0 H ASN A 88 153.634 -2.278 -7.612 1.00 0.00 H new ATOM 0 HA ASN A 88 154.516 -2.055 -10.388 1.00 0.00 H new ATOM 0 HB2 ASN A 88 156.224 -2.969 -8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 88 156.013 -4.209 -9.392 1.00 0.00 H new ATOM 0 HD21 ASN A 88 157.779 -2.479 -11.978 1.00 0.00 H new ATOM 0 HD22 ASN A 88 156.546 -3.699 -11.644 1.00 0.00 H new