USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 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 11 TYR OH : rot 18:sc= 0.795 USER MOD Set 1.2: A 106 THR OG1 : rot 77:sc= 1.72 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.51 K(o=2.5,f=-2.5) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 172:sc= 1.02 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 152:sc= 1.63 USER MOD Set 3.2: A 74 LYS NZ :NH3+ -172:sc= 0.208 (180deg=-0.0746) USER MOD Set 4.1: A 42 CYS SG : rot -44:sc= 0.293 USER MOD Set 4.2: A 62 CYS SG : rot -128:sc= 0.782 USER MOD Set 5.1: A 14 GLN : amide:sc= -0.0277 X(o=-0.062,f=0.21) USER MOD Set 5.2: A 98 GLN : amide:sc= -0.0347 X(o=-0.062,f=0.21) USER MOD Single : A 3 GLN : amide:sc= -0.0895 X(o=-0.089,f=-0.2) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -1.34 X(o=-1.3,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= 0.22 (180deg=-0.16) USER MOD Single : A 17 GLN : amide:sc= -0.0403 K(o=-0.04,f=-2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= 0.848 (180deg=0.552) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -79:sc= 0.645 USER MOD Single : A 47 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.55) USER MOD Single : A 50 THR OG1 : rot 73:sc= 0.291 USER MOD Single : A 54 LYS NZ :NH3+ -129:sc= 1.24 (180deg=-0.0268) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 69 THR OG1 : rot 69:sc= 1.19 USER MOD Single : A 78 THR OG1 : rot -41:sc= 0.0049 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -99:sc= 0.00878 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00347) USER MOD Single : A 96 ASN : amide:sc= -0.0826 K(o=-0.083,f=-6.6!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.313 K(o=0.31,f=-2.1!) USER MOD Single : A 111 LYS NZ :NH3+ -148:sc= 1.62 (180deg=0.516) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.019 0.872 1.989 1.00 25.00 N ATOM 44 CA GLY A 2 0.646 1.600 3.195 1.00 25.00 C ATOM 45 C GLY A 2 0.153 2.980 2.843 1.00 25.00 C ATOM 46 O GLY A 2 -0.864 3.442 3.360 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.131 1.055 3.731 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.504 1.673 3.864 1.00 25.00 H new ATOM 50 N GLN A 3 0.835 3.627 1.910 1.00 25.00 N ATOM 51 CA GLN A 3 0.412 4.951 1.461 1.00 25.00 C ATOM 52 C GLN A 3 -0.933 4.834 0.750 1.00 25.00 C ATOM 53 O GLN A 3 -1.789 5.694 0.880 1.00 25.00 O ATOM 54 CB GLN A 3 1.444 5.569 0.512 1.00 25.00 C ATOM 55 CG GLN A 3 2.852 5.711 1.104 1.00 25.00 C ATOM 56 CD GLN A 3 2.875 6.432 2.436 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.334 5.894 3.431 1.00 25.00 O ATOM 58 NE2 GLN A 3 2.399 7.651 2.459 1.00 25.00 N ATOM 0 H GLN A 3 1.672 3.266 1.453 1.00 25.00 H new ATOM 0 HA GLN A 3 0.321 5.600 2.332 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.503 4.957 -0.388 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.092 6.554 0.205 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.287 4.720 1.228 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.483 6.250 0.397 1.00 25.00 H new ATOM 0 HE21 GLN A 3 2.023 8.068 1.607 1.00 25.00 H new ATOM 0 HE22 GLN A 3 2.404 8.184 3.329 1.00 25.00 H new ATOM 67 N GLU A 4 -1.120 3.740 0.027 1.00 25.00 N ATOM 68 CA GLU A 4 -2.370 3.487 -0.686 1.00 25.00 C ATOM 69 C GLU A 4 -3.526 3.321 0.306 1.00 25.00 C ATOM 70 O GLU A 4 -4.600 3.897 0.130 1.00 25.00 O ATOM 71 CB GLU A 4 -2.206 2.230 -1.557 1.00 25.00 C ATOM 72 CG GLU A 4 -3.478 1.690 -2.190 1.00 25.00 C ATOM 73 CD GLU A 4 -3.996 2.558 -3.320 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.263 3.758 -3.092 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.276 2.001 -4.397 1.00 25.00 O ATOM 0 H GLU A 4 -0.419 3.007 -0.084 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.604 4.336 -1.328 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.494 2.453 -2.352 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.765 1.443 -0.945 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.290 0.685 -2.569 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.249 1.603 -1.424 1.00 25.00 H new ATOM 82 N LEU A 5 -3.296 2.564 1.368 1.00 25.00 N ATOM 83 CA LEU A 5 -4.315 2.341 2.387 1.00 25.00 C ATOM 84 C LEU A 5 -4.667 3.638 3.111 1.00 25.00 C ATOM 85 O LEU A 5 -5.837 3.920 3.325 1.00 25.00 O ATOM 86 CB LEU A 5 -3.816 1.285 3.368 1.00 25.00 C ATOM 87 CG LEU A 5 -4.244 -0.171 3.096 1.00 25.00 C ATOM 88 CD1 LEU A 5 -4.298 -0.562 1.637 1.00 25.00 C ATOM 89 CD2 LEU A 5 -3.308 -1.110 3.848 1.00 25.00 C ATOM 0 H LEU A 5 -2.410 2.092 1.549 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.227 1.985 1.907 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.727 1.322 3.383 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.158 1.559 4.366 1.00 25.00 H new ATOM 0 HG LEU A 5 -5.271 -0.255 3.451 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -4.609 -1.603 1.551 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -5.013 0.075 1.116 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.311 -0.440 1.191 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -3.602 -2.143 3.662 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -2.285 -0.957 3.504 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -3.366 -0.903 4.917 1.00 25.00 H new ATOM 101 N SER A 6 -3.670 4.459 3.416 1.00 25.00 N ATOM 102 CA SER A 6 -3.909 5.786 3.996 1.00 25.00 C ATOM 103 C SER A 6 -4.731 6.726 3.100 1.00 25.00 C ATOM 104 O SER A 6 -5.282 7.705 3.593 1.00 25.00 O ATOM 105 CB SER A 6 -2.574 6.472 4.300 1.00 25.00 C ATOM 106 OG SER A 6 -2.777 7.636 5.085 1.00 25.00 O ATOM 0 H SER A 6 -2.685 4.234 3.273 1.00 25.00 H new ATOM 0 HA SER A 6 -4.489 5.605 4.901 1.00 25.00 H new ATOM 0 HB2 SER A 6 -1.916 5.781 4.828 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.075 6.738 3.368 1.00 25.00 H new ATOM 0 HG SER A 6 -1.913 8.060 5.271 1.00 25.00 H new ATOM 112 N GLN A 7 -4.794 6.455 1.802 1.00 25.00 N ATOM 113 CA GLN A 7 -5.568 7.294 0.873 1.00 25.00 C ATOM 114 C GLN A 7 -6.923 6.660 0.571 1.00 25.00 C ATOM 115 O GLN A 7 -7.831 7.307 0.053 1.00 25.00 O ATOM 116 CB GLN A 7 -4.798 7.483 -0.434 1.00 25.00 C ATOM 117 CG GLN A 7 -3.525 8.309 -0.270 1.00 25.00 C ATOM 118 CD GLN A 7 -2.767 8.473 -1.570 1.00 25.00 C ATOM 119 OE1 GLN A 7 -2.518 9.580 -2.015 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.389 7.376 -2.174 1.00 25.00 N ATOM 0 H GLN A 7 -4.322 5.665 1.362 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.727 8.263 1.347 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.539 6.505 -0.840 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.447 7.969 -1.163 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.782 9.293 0.123 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.878 7.831 0.466 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -2.616 6.467 -1.770 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.867 7.429 -3.049 1.00 25.00 H new ATOM 129 N HIS A 8 -7.065 5.386 0.905 1.00 25.00 N ATOM 130 CA HIS A 8 -8.320 4.675 0.698 1.00 25.00 C ATOM 131 C HIS A 8 -9.192 4.967 1.904 1.00 25.00 C ATOM 132 O HIS A 8 -9.122 4.260 2.893 1.00 25.00 O ATOM 133 CB HIS A 8 -8.063 3.168 0.565 1.00 25.00 C ATOM 134 CG HIS A 8 -7.923 2.706 -0.854 1.00 25.00 C ATOM 135 ND1 HIS A 8 -6.869 3.079 -1.693 1.00 25.00 N ATOM 136 CD2 HIS A 8 -8.700 1.893 -1.620 1.00 25.00 C ATOM 137 CE1 HIS A 8 -7.051 2.516 -2.882 1.00 25.00 C ATOM 138 NE2 HIS A 8 -8.138 1.798 -2.856 1.00 25.00 N ATOM 0 H HIS A 8 -6.325 4.821 1.322 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.810 5.000 -0.220 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.156 2.913 1.113 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.883 2.625 1.036 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -6.089 3.684 -1.435 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -9.609 1.405 -1.301 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -6.401 2.635 -3.736 1.00 25.00 H new ATOM 146 N GLU A 9 -9.994 6.019 1.833 1.00 25.00 N ATOM 147 CA GLU A 9 -10.782 6.472 2.988 1.00 25.00 C ATOM 148 C GLU A 9 -11.604 5.379 3.672 1.00 25.00 C ATOM 149 O GLU A 9 -11.685 5.363 4.878 1.00 25.00 O ATOM 150 CB GLU A 9 -11.696 7.634 2.593 1.00 25.00 C ATOM 151 CG GLU A 9 -11.275 8.970 3.213 1.00 25.00 C ATOM 152 CD GLU A 9 -11.423 8.989 4.735 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.565 8.991 5.233 1.00 25.00 O ATOM 154 OE2 GLU A 9 -10.395 8.994 5.447 1.00 25.00 O ATOM 0 H GLU A 9 -10.122 6.580 0.991 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.045 6.797 3.723 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -11.702 7.730 1.507 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.717 7.405 2.898 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.237 9.176 2.951 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.877 9.771 2.784 1.00 25.00 H new ATOM 161 N ARG A 10 -12.144 4.421 2.931 1.00 25.00 N ATOM 162 CA ARG A 10 -12.893 3.322 3.562 1.00 25.00 C ATOM 163 C ARG A 10 -12.014 2.421 4.432 1.00 25.00 C ATOM 164 O ARG A 10 -12.461 1.920 5.463 1.00 25.00 O ATOM 165 CB ARG A 10 -13.642 2.508 2.511 1.00 25.00 C ATOM 166 CG ARG A 10 -14.829 3.282 1.954 1.00 25.00 C ATOM 167 CD ARG A 10 -15.606 2.504 0.918 1.00 25.00 C ATOM 168 NE ARG A 10 -16.772 3.289 0.477 1.00 25.00 N ATOM 169 CZ ARG A 10 -17.618 2.940 -0.485 1.00 25.00 C ATOM 170 NH1 ARG A 10 -17.485 1.828 -1.167 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.618 3.729 -0.765 1.00 25.00 N ATOM 0 H ARG A 10 -12.085 4.374 1.914 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.618 3.782 4.234 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.963 2.246 1.700 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.989 1.573 2.951 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.496 3.553 2.773 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.474 4.212 1.511 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -14.966 2.276 0.066 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.934 1.552 1.335 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.944 4.176 0.951 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -16.710 1.196 -0.966 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -18.156 1.595 -1.899 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -18.741 4.600 -0.248 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -19.277 3.476 -1.501 1.00 25.00 H new ATOM 185 N TYR A 11 -10.746 2.273 4.076 1.00 25.00 N ATOM 186 CA TYR A 11 -9.811 1.562 4.928 1.00 25.00 C ATOM 187 C TYR A 11 -9.539 2.414 6.159 1.00 25.00 C ATOM 188 O TYR A 11 -9.516 1.929 7.294 1.00 25.00 O ATOM 189 CB TYR A 11 -8.505 1.332 4.176 1.00 25.00 C ATOM 190 CG TYR A 11 -7.615 0.355 4.872 1.00 25.00 C ATOM 191 CD1 TYR A 11 -7.838 -1.017 4.730 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.549 0.787 5.687 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.029 -1.951 5.378 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.713 -0.161 6.341 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.966 -1.526 6.175 1.00 25.00 C ATOM 196 OH TYR A 11 -5.170 -2.461 6.784 1.00 25.00 O ATOM 0 H TYR A 11 -10.346 2.633 3.210 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.230 0.599 5.219 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -8.725 0.968 3.172 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -7.981 2.281 4.063 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.651 -1.361 4.108 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.366 1.844 5.816 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.226 -3.006 5.262 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.892 0.171 6.959 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.287 -3.328 6.342 1.00 25.00 H new ATOM 206 N VAL A 12 -9.353 3.703 5.916 1.00 25.00 N ATOM 207 CA VAL A 12 -9.069 4.669 6.970 1.00 25.00 C ATOM 208 C VAL A 12 -10.242 4.732 7.954 1.00 25.00 C ATOM 209 O VAL A 12 -10.018 4.858 9.132 1.00 25.00 O ATOM 210 CB VAL A 12 -8.762 6.084 6.368 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.422 7.107 7.454 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.578 6.006 5.400 1.00 25.00 C ATOM 0 H VAL A 12 -9.395 4.110 4.982 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.180 4.343 7.510 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.664 6.405 5.847 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.216 8.073 6.992 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.264 7.204 8.139 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.543 6.774 8.005 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.377 6.996 4.990 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.696 5.647 5.932 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.816 5.319 4.588 1.00 25.00 H new ATOM 222 N GLU A 13 -11.478 4.593 7.497 1.00 25.00 N ATOM 223 CA GLU A 13 -12.651 4.610 8.388 1.00 25.00 C ATOM 224 C GLU A 13 -12.524 3.574 9.506 1.00 25.00 C ATOM 225 O GLU A 13 -12.655 3.907 10.688 1.00 25.00 O ATOM 226 CB GLU A 13 -13.937 4.359 7.591 1.00 25.00 C ATOM 227 CG GLU A 13 -14.426 5.573 6.797 1.00 25.00 C ATOM 228 CD GLU A 13 -15.507 5.201 5.783 1.00 25.00 C ATOM 229 OE1 GLU A 13 -16.531 4.622 6.193 1.00 25.00 O ATOM 230 OE2 GLU A 13 -15.316 5.461 4.572 1.00 25.00 O ATOM 0 H GLU A 13 -11.705 4.466 6.511 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.698 5.599 8.844 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.769 3.531 6.902 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.723 4.047 8.279 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.818 6.322 7.485 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -13.583 6.028 6.277 1.00 25.00 H new ATOM 237 N GLN A 14 -12.198 2.339 9.154 1.00 25.00 N ATOM 238 CA GLN A 14 -11.994 1.302 10.166 1.00 25.00 C ATOM 239 C GLN A 14 -10.742 1.592 10.979 1.00 25.00 C ATOM 240 O GLN A 14 -10.715 1.408 12.197 1.00 25.00 O ATOM 241 CB GLN A 14 -11.860 -0.078 9.514 1.00 25.00 C ATOM 242 CG GLN A 14 -13.164 -0.602 8.926 1.00 25.00 C ATOM 243 CD GLN A 14 -14.281 -0.644 9.955 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.307 -0.021 9.782 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.070 -1.356 11.032 1.00 25.00 N ATOM 0 H GLN A 14 -12.070 2.029 8.191 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.864 1.303 10.823 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.110 -0.027 8.725 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.494 -0.788 10.256 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.465 0.031 8.091 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.004 -1.603 8.525 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.194 -1.867 11.142 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.781 -1.400 11.762 1.00 25.00 H new ATOM 254 N LEU A 15 -9.700 2.058 10.312 1.00 25.00 N ATOM 255 CA LEU A 15 -8.433 2.334 10.981 1.00 25.00 C ATOM 256 C LEU A 15 -8.521 3.520 11.945 1.00 25.00 C ATOM 257 O LEU A 15 -7.753 3.586 12.891 1.00 25.00 O ATOM 258 CB LEU A 15 -7.321 2.558 9.951 1.00 25.00 C ATOM 259 CG LEU A 15 -6.478 1.347 9.502 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.326 1.122 10.473 1.00 25.00 C ATOM 261 CD2 LEU A 15 -7.280 0.050 9.360 1.00 25.00 C ATOM 0 H LEU A 15 -9.702 2.254 9.311 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.193 1.457 11.582 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.776 2.993 9.061 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.639 3.304 10.357 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.105 1.596 8.509 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.737 0.265 10.147 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -4.693 2.009 10.498 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.723 0.931 11.470 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -6.617 -0.755 9.041 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -7.728 -0.208 10.320 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -8.066 0.188 8.618 1.00 25.00 H new ATOM 273 N LYS A 16 -9.469 4.431 11.744 1.00 25.00 N ATOM 274 CA LYS A 16 -9.659 5.564 12.663 1.00 25.00 C ATOM 275 C LYS A 16 -10.018 4.987 14.011 1.00 25.00 C ATOM 276 O LYS A 16 -9.475 5.384 15.036 1.00 25.00 O ATOM 277 CB LYS A 16 -10.790 6.500 12.191 1.00 25.00 C ATOM 278 CG LYS A 16 -10.426 7.442 11.030 1.00 25.00 C ATOM 279 CD LYS A 16 -11.698 8.019 10.371 1.00 25.00 C ATOM 280 CE LYS A 16 -11.389 8.801 9.076 1.00 25.00 C ATOM 281 NZ LYS A 16 -11.870 8.090 7.828 1.00 25.00 N ATOM 0 H LYS A 16 -10.119 4.413 10.958 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.745 6.156 12.704 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.641 5.890 11.888 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.116 7.104 13.038 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.801 8.256 11.398 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.840 6.901 10.287 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.387 7.205 10.145 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.203 8.677 11.078 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.857 9.784 9.131 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -10.314 8.963 9.004 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.113 8.792 7.100 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -11.117 7.468 7.471 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -12.711 7.521 8.055 1.00 25.00 H new ATOM 295 N GLN A 17 -10.909 4.012 13.997 1.00 25.00 N ATOM 296 CA GLN A 17 -11.329 3.359 15.225 1.00 25.00 C ATOM 297 C GLN A 17 -10.243 2.412 15.728 1.00 25.00 C ATOM 298 O GLN A 17 -10.050 2.285 16.926 1.00 25.00 O ATOM 299 CB GLN A 17 -12.632 2.590 14.994 1.00 25.00 C ATOM 300 CG GLN A 17 -13.828 3.472 14.600 1.00 25.00 C ATOM 301 CD GLN A 17 -14.470 4.177 15.789 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.818 4.882 16.556 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.754 3.989 15.942 1.00 25.00 N ATOM 0 H GLN A 17 -11.355 3.655 13.152 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.499 4.124 15.982 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.469 1.849 14.211 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.883 2.043 15.903 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.498 4.219 13.877 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.577 2.856 14.103 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -16.264 3.397 15.286 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.246 4.434 16.717 1.00 25.00 H new ATOM 312 N ALA A 18 -9.519 1.763 14.824 1.00 25.00 N ATOM 313 CA ALA A 18 -8.457 0.838 15.227 1.00 25.00 C ATOM 314 C ALA A 18 -7.290 1.557 15.932 1.00 25.00 C ATOM 315 O ALA A 18 -6.836 1.109 16.981 1.00 25.00 O ATOM 316 CB ALA A 18 -7.949 0.052 14.014 1.00 25.00 C ATOM 0 H ALA A 18 -9.643 1.856 13.816 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.888 0.145 15.949 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.160 -0.632 14.328 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.771 -0.517 13.579 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.554 0.745 13.271 1.00 25.00 H new ATOM 322 N LEU A 19 -6.823 2.674 15.377 1.00 25.00 N ATOM 323 CA LEU A 19 -5.737 3.444 16.001 1.00 25.00 C ATOM 324 C LEU A 19 -6.225 3.936 17.366 1.00 25.00 C ATOM 325 O LEU A 19 -5.506 3.869 18.367 1.00 25.00 O ATOM 326 CB LEU A 19 -5.323 4.659 15.132 1.00 25.00 C ATOM 327 CG LEU A 19 -4.112 4.481 14.185 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.439 3.718 12.900 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.504 5.831 13.778 1.00 25.00 C ATOM 0 H LEU A 19 -7.173 3.068 14.504 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.863 2.801 16.104 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.183 4.949 14.528 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.108 5.493 15.800 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.402 3.895 14.768 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.541 3.634 12.288 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.802 2.721 13.151 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.208 4.255 12.344 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.657 5.663 13.113 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.256 6.428 13.263 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.167 6.361 14.669 1.00 25.00 H new ATOM 341 N LYS A 20 -7.469 4.397 17.399 1.00 25.00 N ATOM 342 CA LYS A 20 -8.079 4.926 18.621 1.00 25.00 C ATOM 343 C LYS A 20 -8.240 3.875 19.718 1.00 25.00 C ATOM 344 O LYS A 20 -7.884 4.126 20.860 1.00 25.00 O ATOM 345 CB LYS A 20 -9.447 5.520 18.273 1.00 25.00 C ATOM 346 CG LYS A 20 -10.156 6.223 19.413 1.00 25.00 C ATOM 347 CD LYS A 20 -11.523 6.696 18.942 1.00 25.00 C ATOM 348 CE LYS A 20 -12.268 7.436 20.042 1.00 25.00 C ATOM 349 NZ LYS A 20 -13.637 7.836 19.565 1.00 25.00 N ATOM 0 H LYS A 20 -8.084 4.417 16.586 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.408 5.688 19.017 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.320 6.228 17.454 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -10.089 4.720 17.906 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -10.265 5.546 20.261 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.564 7.071 19.756 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.405 7.350 18.078 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -12.112 5.839 18.615 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -12.354 6.801 20.924 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -11.706 8.321 20.340 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -14.136 8.341 20.325 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -13.548 8.459 18.737 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -14.175 6.986 19.303 1.00 25.00 H new ATOM 363 N THR A 21 -8.783 2.712 19.388 1.00 25.00 N ATOM 364 CA THR A 21 -9.051 1.685 20.401 1.00 25.00 C ATOM 365 C THR A 21 -7.771 1.010 20.874 1.00 25.00 C ATOM 366 O THR A 21 -7.730 0.443 21.959 1.00 25.00 O ATOM 367 CB THR A 21 -10.069 0.615 19.897 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.581 -0.115 21.012 1.00 25.00 O ATOM 369 CG2 THR A 21 -9.442 -0.382 18.929 1.00 25.00 C ATOM 0 H THR A 21 -9.047 2.451 18.438 1.00 25.00 H new ATOM 0 HA THR A 21 -9.499 2.203 21.249 1.00 25.00 H new ATOM 0 HB THR A 21 -10.859 1.152 19.372 1.00 25.00 H new ATOM 0 HG1 THR A 21 -11.222 -0.786 20.697 1.00 25.00 H new ATOM 0 HG21 THR A 21 -10.195 -1.103 18.611 1.00 25.00 H new ATOM 0 HG22 THR A 21 -9.057 0.149 18.058 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.625 -0.906 19.425 1.00 25.00 H new ATOM 377 N ARG A 22 -6.710 1.101 20.079 1.00 25.00 N ATOM 378 CA ARG A 22 -5.407 0.575 20.482 1.00 25.00 C ATOM 379 C ARG A 22 -4.775 1.528 21.499 1.00 25.00 C ATOM 380 O ARG A 22 -3.910 1.138 22.273 1.00 25.00 O ATOM 381 CB ARG A 22 -4.513 0.411 19.241 1.00 25.00 C ATOM 382 CG ARG A 22 -3.104 -0.137 19.507 1.00 25.00 C ATOM 383 CD ARG A 22 -3.140 -1.558 20.019 1.00 25.00 C ATOM 384 NE ARG A 22 -1.791 -2.057 20.326 1.00 25.00 N ATOM 385 CZ ARG A 22 -1.502 -3.296 20.708 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.423 -4.210 20.864 1.00 25.00 N ATOM 387 NH2 ARG A 22 -0.261 -3.617 20.927 1.00 25.00 N ATOM 0 H ARG A 22 -6.724 1.532 19.155 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.522 -0.403 20.949 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -5.015 -0.254 18.539 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -4.420 1.380 18.751 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.519 -0.097 18.588 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.599 0.498 20.234 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.759 -1.607 20.915 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -3.606 -2.202 19.273 1.00 25.00 H new ATOM 0 HE ARG A 22 -1.016 -1.400 20.239 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.402 -3.982 20.691 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.163 -5.151 21.159 1.00 25.00 H new ATOM 0 HH21 ARG A 22 0.475 -2.921 20.805 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -0.024 -4.564 21.221 1.00 25.00 H new ATOM 401 N GLY A 23 -5.209 2.781 21.481 1.00 25.00 N ATOM 402 CA GLY A 23 -4.682 3.778 22.400 1.00 25.00 C ATOM 403 C GLY A 23 -3.281 4.210 22.020 1.00 25.00 C ATOM 404 O GLY A 23 -2.548 4.781 22.828 1.00 25.00 O ATOM 0 H GLY A 23 -5.923 3.130 20.841 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.340 4.647 22.410 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.675 3.372 23.412 1.00 25.00 H new ATOM 408 N VAL A 24 -2.886 3.918 20.789 1.00 25.00 N ATOM 409 CA VAL A 24 -1.539 4.234 20.338 1.00 25.00 C ATOM 410 C VAL A 24 -1.516 5.655 19.770 1.00 25.00 C ATOM 411 O VAL A 24 -2.187 5.980 18.789 1.00 25.00 O ATOM 412 CB VAL A 24 -0.988 3.141 19.345 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.873 2.980 18.091 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.457 3.441 18.952 1.00 25.00 C ATOM 0 H VAL A 24 -3.475 3.466 20.089 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.852 4.212 21.184 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.016 2.190 19.877 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.448 2.215 17.441 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.878 2.684 18.391 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -1.919 3.927 17.554 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.815 2.673 18.266 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.507 4.414 18.464 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.082 3.450 19.845 1.00 25.00 H new ATOM 424 N LYS A 25 -0.766 6.521 20.434 1.00 25.00 N ATOM 425 CA LYS A 25 -0.641 7.917 20.013 1.00 25.00 C ATOM 426 C LYS A 25 0.395 8.008 18.894 1.00 25.00 C ATOM 427 O LYS A 25 1.569 8.274 19.122 1.00 25.00 O ATOM 428 CB LYS A 25 -0.274 8.821 21.206 1.00 25.00 C ATOM 429 CG LYS A 25 0.791 8.249 22.159 1.00 25.00 C ATOM 430 CD LYS A 25 1.099 9.231 23.281 1.00 25.00 C ATOM 431 CE LYS A 25 2.201 8.687 24.188 1.00 25.00 C ATOM 432 NZ LYS A 25 2.499 9.628 25.324 1.00 25.00 N ATOM 0 H LYS A 25 -0.231 6.285 21.270 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.599 8.272 19.633 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.082 9.777 20.821 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.179 9.025 21.779 1.00 25.00 H new ATOM 0 HG2 LYS A 25 0.439 7.307 22.581 1.00 25.00 H new ATOM 0 HG3 LYS A 25 1.702 8.029 21.603 1.00 25.00 H new ATOM 0 HD2 LYS A 25 1.408 10.188 22.859 1.00 25.00 H new ATOM 0 HD3 LYS A 25 0.198 9.416 23.866 1.00 25.00 H new ATOM 0 HE2 LYS A 25 1.900 7.718 24.587 1.00 25.00 H new ATOM 0 HE3 LYS A 25 3.106 8.523 23.603 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 3.252 9.227 25.919 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 2.810 10.544 24.943 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 1.641 9.764 25.896 1.00 25.00 H new ATOM 446 N VAL A 26 -0.064 7.757 17.681 1.00 25.00 N ATOM 447 CA VAL A 26 0.793 7.740 16.500 1.00 25.00 C ATOM 448 C VAL A 26 0.067 8.488 15.387 1.00 25.00 C ATOM 449 O VAL A 26 -1.165 8.527 15.347 1.00 25.00 O ATOM 450 CB VAL A 26 1.117 6.258 16.088 1.00 25.00 C ATOM 451 CG1 VAL A 26 -0.146 5.516 15.654 1.00 25.00 C ATOM 452 CG2 VAL A 26 2.167 6.190 14.986 1.00 25.00 C ATOM 0 H VAL A 26 -1.044 7.558 17.482 1.00 25.00 H new ATOM 0 HA VAL A 26 1.745 8.230 16.703 1.00 25.00 H new ATOM 0 HB VAL A 26 1.525 5.769 16.972 1.00 25.00 H new ATOM 0 HG11 VAL A 26 0.110 4.494 15.375 1.00 25.00 H new ATOM 0 HG12 VAL A 26 -0.859 5.499 16.478 1.00 25.00 H new ATOM 0 HG13 VAL A 26 -0.591 6.025 14.799 1.00 25.00 H new ATOM 0 HG21 VAL A 26 2.361 5.148 14.732 1.00 25.00 H new ATOM 0 HG22 VAL A 26 1.803 6.717 14.104 1.00 25.00 H new ATOM 0 HG23 VAL A 26 3.089 6.656 15.333 1.00 25.00 H new ATOM 462 N LYS A 27 0.822 9.112 14.495 1.00 25.00 N ATOM 463 CA LYS A 27 0.231 9.808 13.358 1.00 25.00 C ATOM 464 C LYS A 27 -0.241 8.727 12.393 1.00 25.00 C ATOM 465 O LYS A 27 0.427 7.729 12.215 1.00 25.00 O ATOM 466 CB LYS A 27 1.279 10.719 12.706 1.00 25.00 C ATOM 467 CG LYS A 27 0.750 11.618 11.593 1.00 25.00 C ATOM 468 CD LYS A 27 1.881 12.466 11.018 1.00 25.00 C ATOM 469 CE LYS A 27 1.374 13.420 9.938 1.00 25.00 C ATOM 470 NZ LYS A 27 2.500 14.254 9.379 1.00 25.00 N ATOM 0 H LYS A 27 1.840 9.152 14.534 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.603 10.443 13.656 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.724 11.346 13.478 1.00 25.00 H new ATOM 0 HB3 LYS A 27 2.078 10.097 12.301 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.305 11.010 10.805 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.038 12.264 11.981 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.351 13.038 11.818 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.648 11.815 10.599 1.00 25.00 H new ATOM 0 HE2 LYS A 27 0.906 12.850 9.135 1.00 25.00 H new ATOM 0 HE3 LYS A 27 0.607 14.072 10.355 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 2.129 14.893 8.648 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 2.929 14.814 10.143 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 3.219 13.630 8.961 1.00 25.00 H new ATOM 484 N PHE A 28 -1.373 8.936 11.748 1.00 25.00 N ATOM 485 CA PHE A 28 -1.901 7.962 10.792 1.00 25.00 C ATOM 486 C PHE A 28 -0.918 7.657 9.675 1.00 25.00 C ATOM 487 O PHE A 28 -0.652 6.502 9.378 1.00 25.00 O ATOM 488 CB PHE A 28 -3.173 8.545 10.169 1.00 25.00 C ATOM 489 CG PHE A 28 -4.358 7.651 10.258 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.503 6.570 9.376 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.361 7.899 11.211 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.635 5.740 9.439 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.501 7.082 11.279 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.641 6.004 10.390 1.00 25.00 C ATOM 0 H PHE A 28 -1.950 9.769 11.864 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.096 7.034 11.329 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.406 9.489 10.661 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.980 8.771 9.120 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -3.737 6.374 8.641 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.254 8.726 11.897 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -5.734 4.904 8.762 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.268 7.282 12.013 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.519 5.377 10.435 1.00 25.00 H new ATOM 504 N ALA A 29 -0.360 8.705 9.084 1.00 25.00 N ATOM 505 CA ALA A 29 0.608 8.548 8.009 1.00 25.00 C ATOM 506 C ALA A 29 1.840 7.784 8.495 1.00 25.00 C ATOM 507 O ALA A 29 2.459 7.069 7.735 1.00 25.00 O ATOM 508 CB ALA A 29 1.012 9.925 7.467 1.00 25.00 C ATOM 0 H ALA A 29 -0.562 9.674 9.332 1.00 25.00 H new ATOM 0 HA ALA A 29 0.147 7.971 7.207 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.737 9.801 6.662 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.130 10.439 7.085 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.457 10.515 8.268 1.00 25.00 H new ATOM 514 N ASP A 30 2.178 7.941 9.767 1.00 25.00 N ATOM 515 CA ASP A 30 3.325 7.245 10.346 1.00 25.00 C ATOM 516 C ASP A 30 2.995 5.769 10.562 1.00 25.00 C ATOM 517 O ASP A 30 3.799 4.911 10.254 1.00 25.00 O ATOM 518 CB ASP A 30 3.719 7.895 11.675 1.00 25.00 C ATOM 519 CG ASP A 30 5.021 7.356 12.234 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.925 7.016 11.448 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.165 7.368 13.474 1.00 25.00 O ATOM 0 H ASP A 30 1.676 8.543 10.420 1.00 25.00 H new ATOM 0 HA ASP A 30 4.164 7.319 9.654 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.809 8.972 11.534 1.00 25.00 H new ATOM 0 HB3 ASP A 30 2.923 7.734 12.402 1.00 25.00 H new ATOM 526 N LEU A 31 1.792 5.452 11.034 1.00 25.00 N ATOM 527 CA LEU A 31 1.449 4.044 11.237 1.00 25.00 C ATOM 528 C LEU A 31 1.418 3.321 9.896 1.00 25.00 C ATOM 529 O LEU A 31 2.072 2.293 9.698 1.00 25.00 O ATOM 530 CB LEU A 31 0.121 3.845 11.970 1.00 25.00 C ATOM 531 CG LEU A 31 0.222 2.718 13.033 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.107 2.495 13.699 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.698 1.380 12.476 1.00 25.00 C ATOM 0 H LEU A 31 1.061 6.121 11.276 1.00 25.00 H new ATOM 0 HA LEU A 31 2.224 3.620 11.876 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.173 4.777 12.453 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.660 3.599 11.250 1.00 25.00 H new ATOM 0 HG LEU A 31 0.969 3.069 13.745 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.014 1.701 14.440 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.427 3.414 14.190 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.845 2.208 12.950 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.742 0.646 13.281 1.00 25.00 H new ATOM 0 HD22 LEU A 31 0.003 1.037 11.709 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.690 1.500 12.040 1.00 25.00 H new ATOM 545 N LEU A 32 0.684 3.887 8.953 1.00 25.00 N ATOM 546 CA LEU A 32 0.622 3.312 7.603 1.00 25.00 C ATOM 547 C LEU A 32 1.964 3.307 6.887 1.00 25.00 C ATOM 548 O LEU A 32 2.171 2.526 5.975 1.00 25.00 O ATOM 549 CB LEU A 32 -0.385 4.049 6.721 1.00 25.00 C ATOM 550 CG LEU A 32 -1.843 3.570 6.776 1.00 25.00 C ATOM 551 CD1 LEU A 32 -2.000 2.085 6.468 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.432 3.877 8.097 1.00 25.00 C ATOM 0 H LEU A 32 0.127 4.731 9.085 1.00 25.00 H new ATOM 0 HA LEU A 32 0.307 2.280 7.756 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.365 5.104 6.993 1.00 25.00 H new ATOM 0 HB3 LEU A 32 -0.045 3.980 5.688 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.377 4.111 5.995 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.054 1.811 6.524 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.624 1.880 5.466 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.435 1.501 7.194 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.466 3.533 8.123 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.861 3.372 8.876 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.404 4.953 8.267 1.00 25.00 H new ATOM 564 N LYS A 33 2.903 4.128 7.314 1.00 25.00 N ATOM 565 CA LYS A 33 4.241 4.089 6.700 1.00 25.00 C ATOM 566 C LYS A 33 4.904 2.736 6.961 1.00 25.00 C ATOM 567 O LYS A 33 5.624 2.218 6.117 1.00 25.00 O ATOM 568 CB LYS A 33 5.141 5.232 7.200 1.00 25.00 C ATOM 569 CG LYS A 33 6.558 5.231 6.601 1.00 25.00 C ATOM 570 CD LYS A 33 6.562 5.425 5.063 1.00 25.00 C ATOM 571 CE LYS A 33 7.507 4.433 4.376 1.00 25.00 C ATOM 572 NZ LYS A 33 7.386 4.491 2.871 1.00 25.00 N ATOM 0 H LYS A 33 2.784 4.814 8.059 1.00 25.00 H new ATOM 0 HA LYS A 33 4.111 4.225 5.626 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.662 6.183 6.969 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.218 5.170 8.285 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.143 6.025 7.064 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.050 4.289 6.845 1.00 25.00 H new ATOM 0 HD2 LYS A 33 5.551 5.295 4.676 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.866 6.444 4.824 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.535 4.650 4.666 1.00 25.00 H new ATOM 0 HE3 LYS A 33 7.285 3.423 4.720 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.260 4.129 2.438 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 6.581 3.908 2.565 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.234 5.476 2.573 1.00 25.00 H new ATOM 586 N PHE A 34 4.618 2.118 8.092 1.00 25.00 N ATOM 587 CA PHE A 34 5.172 0.793 8.369 1.00 25.00 C ATOM 588 C PHE A 34 4.407 -0.293 7.607 1.00 25.00 C ATOM 589 O PHE A 34 4.978 -1.323 7.251 1.00 25.00 O ATOM 590 CB PHE A 34 5.218 0.545 9.871 1.00 25.00 C ATOM 591 CG PHE A 34 6.329 1.304 10.550 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.198 2.681 10.809 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.534 0.662 10.886 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.244 3.413 11.406 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.597 1.387 11.481 1.00 25.00 C ATOM 596 CZ PHE A 34 8.447 2.767 11.740 1.00 25.00 C ATOM 0 H PHE A 34 4.018 2.497 8.825 1.00 25.00 H new ATOM 0 HA PHE A 34 6.199 0.752 8.007 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.264 0.833 10.312 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.346 -0.522 10.056 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.280 3.186 10.546 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.651 -0.393 10.689 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.122 4.467 11.606 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.519 0.885 11.735 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.254 3.324 12.193 1.00 25.00 H new ATOM 606 N PHE A 35 3.159 -0.014 7.249 1.00 25.00 N ATOM 607 CA PHE A 35 2.392 -0.900 6.355 1.00 25.00 C ATOM 608 C PHE A 35 2.992 -0.777 4.947 1.00 25.00 C ATOM 609 O PHE A 35 2.823 -1.643 4.111 1.00 25.00 O ATOM 610 CB PHE A 35 0.905 -0.497 6.273 1.00 25.00 C ATOM 611 CG PHE A 35 0.065 -0.889 7.475 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.515 -0.708 8.802 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.225 -1.417 7.267 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.309 -1.062 9.896 1.00 25.00 C ATOM 615 CE2 PHE A 35 -2.056 -1.760 8.359 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.593 -1.587 9.673 1.00 25.00 C ATOM 0 H PHE A 35 2.650 0.814 7.558 1.00 25.00 H new ATOM 0 HA PHE A 35 2.449 -1.916 6.747 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.844 0.584 6.143 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.470 -0.950 5.382 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.497 -0.296 8.983 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.584 -1.562 6.259 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.050 -0.928 10.906 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -3.046 -2.155 8.182 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.221 -1.856 10.509 1.00 25.00 H new ATOM 626 N ASP A 36 3.683 0.319 4.685 1.00 25.00 N ATOM 627 CA ASP A 36 4.316 0.544 3.387 1.00 25.00 C ATOM 628 C ASP A 36 5.693 -0.119 3.330 1.00 25.00 C ATOM 629 O ASP A 36 6.118 -0.626 2.298 1.00 25.00 O ATOM 630 CB ASP A 36 4.457 2.050 3.160 1.00 25.00 C ATOM 631 CG ASP A 36 4.477 2.418 1.708 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.486 2.117 1.002 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.425 3.119 1.294 1.00 25.00 O ATOM 0 H ASP A 36 3.823 1.075 5.356 1.00 25.00 H new ATOM 0 HA ASP A 36 3.695 0.103 2.607 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.631 2.566 3.650 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.375 2.400 3.632 1.00 25.00 H new ATOM 638 N PHE A 37 6.380 -0.118 4.464 1.00 25.00 N ATOM 639 CA PHE A 37 7.742 -0.654 4.578 1.00 25.00 C ATOM 640 C PHE A 37 7.827 -2.153 4.268 1.00 25.00 C ATOM 641 O PHE A 37 8.810 -2.626 3.684 1.00 25.00 O ATOM 642 CB PHE A 37 8.258 -0.383 5.996 1.00 25.00 C ATOM 643 CG PHE A 37 9.702 -0.756 6.202 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.729 0.008 5.618 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.045 -1.862 7.002 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.092 -0.333 5.818 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.405 -2.212 7.211 1.00 25.00 C ATOM 648 CZ PHE A 37 12.426 -1.440 6.620 1.00 25.00 C ATOM 0 H PHE A 37 6.012 0.255 5.339 1.00 25.00 H new ATOM 0 HA PHE A 37 8.360 -0.151 3.834 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.131 0.676 6.222 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.645 -0.937 6.707 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.477 0.864 5.010 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.265 -2.451 7.462 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.871 0.256 5.356 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.657 -3.067 7.821 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.462 -1.698 6.782 1.00 25.00 H new ATOM 658 N VAL A 38 6.787 -2.898 4.618 1.00 25.00 N ATOM 659 CA VAL A 38 6.755 -4.337 4.336 1.00 25.00 C ATOM 660 C VAL A 38 6.821 -4.594 2.831 1.00 25.00 C ATOM 661 O VAL A 38 7.429 -5.563 2.409 1.00 25.00 O ATOM 662 CB VAL A 38 5.493 -5.044 4.977 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.290 -4.138 5.002 1.00 25.00 C ATOM 664 CG2 VAL A 38 5.121 -6.356 4.250 1.00 25.00 C ATOM 0 H VAL A 38 5.959 -2.539 5.093 1.00 25.00 H new ATOM 0 HA VAL A 38 7.636 -4.777 4.802 1.00 25.00 H new ATOM 0 HB VAL A 38 5.781 -5.282 6.001 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.447 -4.664 5.450 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.516 -3.249 5.590 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.034 -3.844 3.984 1.00 25.00 H new ATOM 0 HG21 VAL A 38 4.249 -6.802 4.728 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.892 -6.141 3.206 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.959 -7.051 4.302 1.00 25.00 H new ATOM 674 N LYS A 39 6.246 -3.718 2.019 1.00 25.00 N ATOM 675 CA LYS A 39 6.239 -3.931 0.561 1.00 25.00 C ATOM 676 C LYS A 39 7.647 -3.990 -0.042 1.00 25.00 C ATOM 677 O LYS A 39 7.882 -4.754 -0.968 1.00 25.00 O ATOM 678 CB LYS A 39 5.402 -2.852 -0.145 1.00 25.00 C ATOM 679 CG LYS A 39 5.024 -3.228 -1.587 1.00 25.00 C ATOM 680 CD LYS A 39 3.967 -2.290 -2.187 1.00 25.00 C ATOM 681 CE LYS A 39 3.614 -2.712 -3.626 1.00 25.00 C ATOM 682 NZ LYS A 39 2.518 -1.875 -4.244 1.00 25.00 N ATOM 0 H LYS A 39 5.783 -2.864 2.329 1.00 25.00 H new ATOM 0 HA LYS A 39 5.782 -4.906 0.396 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.492 -2.674 0.428 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.961 -1.916 -0.155 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.918 -3.206 -2.210 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.648 -4.251 -1.605 1.00 25.00 H new ATOM 0 HD2 LYS A 39 3.069 -2.304 -1.569 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.340 -1.266 -2.185 1.00 25.00 H new ATOM 0 HE2 LYS A 39 4.507 -2.643 -4.247 1.00 25.00 H new ATOM 0 HE3 LYS A 39 3.306 -3.758 -3.625 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 2.329 -2.210 -5.210 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 1.653 -1.959 -3.673 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 2.817 -0.879 -4.275 1.00 25.00 H new ATOM 696 N ASP A 40 8.591 -3.226 0.493 1.00 25.00 N ATOM 697 CA ASP A 40 9.972 -3.292 -0.009 1.00 25.00 C ATOM 698 C ASP A 40 10.648 -4.586 0.425 1.00 25.00 C ATOM 699 O ASP A 40 11.224 -5.304 -0.387 1.00 25.00 O ATOM 700 CB ASP A 40 10.820 -2.129 0.511 1.00 25.00 C ATOM 701 CG ASP A 40 12.270 -2.216 0.031 1.00 25.00 C ATOM 702 OD1 ASP A 40 12.486 -2.506 -1.168 1.00 25.00 O ATOM 703 OD2 ASP A 40 13.193 -2.053 0.862 1.00 25.00 O ATOM 0 H ASP A 40 8.440 -2.566 1.256 1.00 25.00 H new ATOM 0 HA ASP A 40 9.906 -3.242 -1.096 1.00 25.00 H new ATOM 0 HB2 ASP A 40 10.385 -1.186 0.179 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.799 -2.124 1.601 1.00 25.00 H new ATOM 708 N THR A 41 10.586 -4.876 1.715 1.00 25.00 N ATOM 709 CA THR A 41 11.257 -6.056 2.268 1.00 25.00 C ATOM 710 C THR A 41 10.648 -7.343 1.704 1.00 25.00 C ATOM 711 O THR A 41 11.343 -8.318 1.411 1.00 25.00 O ATOM 712 CB THR A 41 11.130 -6.082 3.808 1.00 25.00 C ATOM 713 OG1 THR A 41 11.532 -4.816 4.344 1.00 25.00 O ATOM 714 CG2 THR A 41 12.019 -7.148 4.406 1.00 25.00 C ATOM 0 H THR A 41 10.081 -4.316 2.402 1.00 25.00 H new ATOM 0 HA THR A 41 12.308 -5.998 1.987 1.00 25.00 H new ATOM 0 HB THR A 41 10.090 -6.296 4.056 1.00 25.00 H new ATOM 0 HG1 THR A 41 12.510 -4.765 4.363 1.00 25.00 H new ATOM 0 HG21 THR A 41 11.911 -7.145 5.491 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.731 -8.124 4.015 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.057 -6.945 4.144 1.00 25.00 H new ATOM 722 N CYS A 42 9.336 -7.328 1.547 1.00 25.00 N ATOM 723 CA CYS A 42 8.580 -8.460 1.038 1.00 25.00 C ATOM 724 C CYS A 42 7.811 -8.055 -0.216 1.00 25.00 C ATOM 725 O CYS A 42 6.604 -7.809 -0.152 1.00 25.00 O ATOM 726 CB CYS A 42 7.585 -8.923 2.098 1.00 25.00 C ATOM 727 SG CYS A 42 8.343 -9.388 3.643 1.00 25.00 S ATOM 0 H CYS A 42 8.758 -6.519 1.772 1.00 25.00 H new ATOM 0 HA CYS A 42 9.272 -9.266 0.795 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.867 -8.124 2.282 1.00 25.00 H new ATOM 0 HB3 CYS A 42 7.024 -9.773 1.709 1.00 25.00 H new ATOM 0 HG CYS A 42 9.393 -10.118 3.409 1.00 25.00 H new ATOM 733 N PRO A 43 8.477 -8.028 -1.382 1.00 25.00 N ATOM 734 CA PRO A 43 7.752 -7.624 -2.594 1.00 25.00 C ATOM 735 C PRO A 43 6.727 -8.665 -3.026 1.00 25.00 C ATOM 736 O PRO A 43 5.838 -8.400 -3.821 1.00 25.00 O ATOM 737 CB PRO A 43 8.873 -7.472 -3.620 1.00 25.00 C ATOM 738 CG PRO A 43 9.904 -8.444 -3.187 1.00 25.00 C ATOM 739 CD PRO A 43 9.883 -8.365 -1.681 1.00 25.00 C ATOM 0 HA PRO A 43 7.165 -6.716 -2.456 1.00 25.00 H new ATOM 0 HB2 PRO A 43 8.521 -7.689 -4.628 1.00 25.00 H new ATOM 0 HB3 PRO A 43 9.266 -6.455 -3.632 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.673 -9.451 -3.536 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.885 -8.186 -3.585 1.00 25.00 H new ATOM 0 HD2 PRO A 43 10.177 -9.310 -1.224 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.568 -7.604 -1.308 1.00 25.00 H new ATOM 747 N TRP A 44 6.848 -9.853 -2.456 1.00 25.00 N ATOM 748 CA TRP A 44 5.928 -10.946 -2.715 1.00 25.00 C ATOM 749 C TRP A 44 4.712 -10.927 -1.791 1.00 25.00 C ATOM 750 O TRP A 44 3.741 -11.607 -2.063 1.00 25.00 O ATOM 751 CB TRP A 44 6.682 -12.263 -2.543 1.00 25.00 C ATOM 752 CG TRP A 44 7.703 -12.192 -1.441 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.469 -12.047 -0.118 1.00 25.00 C ATOM 754 CD2 TRP A 44 9.140 -12.232 -1.573 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.628 -12.004 0.602 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.685 -12.110 -0.260 1.00 25.00 C ATOM 757 CE3 TRP A 44 10.021 -12.347 -2.668 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.072 -12.099 -0.018 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.422 -12.336 -2.427 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.929 -12.212 -1.099 1.00 25.00 C ATOM 0 H TRP A 44 7.591 -10.086 -1.798 1.00 25.00 H new ATOM 0 HA TRP A 44 5.552 -10.836 -3.732 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.972 -13.061 -2.327 1.00 25.00 H new ATOM 0 HB3 TRP A 44 7.177 -12.521 -3.479 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.483 -11.974 0.317 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.695 -11.909 1.615 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.638 -12.442 -3.673 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.458 -12.005 0.986 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 12.109 -12.422 -3.256 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.996 -12.206 -0.935 1.00 25.00 H new ATOM 771 N PHE A 45 4.761 -10.169 -0.700 1.00 25.00 N ATOM 772 CA PHE A 45 3.650 -10.159 0.264 1.00 25.00 C ATOM 773 C PHE A 45 2.335 -9.595 -0.296 1.00 25.00 C ATOM 774 O PHE A 45 1.292 -10.223 -0.125 1.00 25.00 O ATOM 775 CB PHE A 45 4.033 -9.400 1.537 1.00 25.00 C ATOM 776 CG PHE A 45 2.950 -9.397 2.583 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.713 -10.541 3.370 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.148 -8.255 2.777 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.684 -10.549 4.345 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.117 -8.253 3.750 1.00 25.00 C ATOM 781 CZ PHE A 45 0.886 -9.401 4.533 1.00 25.00 C ATOM 0 H PHE A 45 5.542 -9.560 -0.457 1.00 25.00 H new ATOM 0 HA PHE A 45 3.467 -11.208 0.495 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.934 -9.846 1.959 1.00 25.00 H new ATOM 0 HB3 PHE A 45 4.279 -8.370 1.277 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.322 -11.422 3.229 1.00 25.00 H new ATOM 0 HD2 PHE A 45 2.320 -7.373 2.179 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.511 -11.432 4.943 1.00 25.00 H new ATOM 0 HE2 PHE A 45 0.509 -7.372 3.891 1.00 25.00 H new ATOM 0 HZ PHE A 45 0.101 -9.402 5.275 1.00 25.00 H new ATOM 791 N PRO A 46 2.355 -8.432 -0.991 1.00 25.00 N ATOM 792 CA PRO A 46 1.026 -8.040 -1.485 1.00 25.00 C ATOM 793 C PRO A 46 0.475 -8.982 -2.557 1.00 25.00 C ATOM 794 O PRO A 46 -0.732 -9.123 -2.704 1.00 25.00 O ATOM 795 CB PRO A 46 1.268 -6.637 -2.048 1.00 25.00 C ATOM 796 CG PRO A 46 2.695 -6.636 -2.437 1.00 25.00 C ATOM 797 CD PRO A 46 3.378 -7.432 -1.368 1.00 25.00 C ATOM 0 HA PRO A 46 0.273 -8.077 -0.698 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.623 -6.436 -2.903 1.00 25.00 H new ATOM 0 HB3 PRO A 46 1.059 -5.869 -1.303 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.839 -7.086 -3.419 1.00 25.00 H new ATOM 0 HG3 PRO A 46 3.091 -5.622 -2.490 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.288 -7.905 -1.737 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.664 -6.808 -0.521 1.00 25.00 H new ATOM 805 N GLN A 47 1.368 -9.675 -3.250 1.00 25.00 N ATOM 806 CA GLN A 47 0.986 -10.631 -4.285 1.00 25.00 C ATOM 807 C GLN A 47 0.355 -11.895 -3.697 1.00 25.00 C ATOM 808 O GLN A 47 -0.265 -12.669 -4.414 1.00 25.00 O ATOM 809 CB GLN A 47 2.194 -10.980 -5.161 1.00 25.00 C ATOM 810 CG GLN A 47 2.326 -10.090 -6.412 1.00 25.00 C ATOM 811 CD GLN A 47 2.736 -8.656 -6.100 1.00 25.00 C ATOM 812 OE1 GLN A 47 1.953 -7.861 -5.613 1.00 25.00 O ATOM 813 NE2 GLN A 47 3.964 -8.327 -6.393 1.00 25.00 N ATOM 0 H GLN A 47 2.375 -9.592 -3.113 1.00 25.00 H new ATOM 0 HA GLN A 47 0.227 -10.156 -4.906 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.102 -10.892 -4.565 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.117 -12.022 -5.473 1.00 25.00 H new ATOM 0 HG2 GLN A 47 3.061 -10.531 -7.085 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.374 -10.080 -6.942 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.594 -9.018 -6.800 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.294 -7.379 -6.215 1.00 25.00 H new ATOM 822 N GLU A 48 0.516 -12.117 -2.396 1.00 25.00 N ATOM 823 CA GLU A 48 -0.144 -13.252 -1.744 1.00 25.00 C ATOM 824 C GLU A 48 -1.655 -12.987 -1.709 1.00 25.00 C ATOM 825 O GLU A 48 -2.452 -13.924 -1.649 1.00 25.00 O ATOM 826 CB GLU A 48 0.389 -13.474 -0.317 1.00 25.00 C ATOM 827 CG GLU A 48 1.875 -13.850 -0.267 1.00 25.00 C ATOM 828 CD GLU A 48 2.346 -14.286 1.118 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.895 -15.354 1.590 1.00 25.00 O ATOM 830 OE2 GLU A 48 3.233 -13.622 1.700 1.00 25.00 O ATOM 0 H GLU A 48 1.086 -11.540 -1.778 1.00 25.00 H new ATOM 0 HA GLU A 48 0.068 -14.157 -2.313 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.233 -12.566 0.265 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.193 -14.263 0.160 1.00 25.00 H new ATOM 0 HG2 GLU A 48 2.062 -14.656 -0.976 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.469 -12.996 -0.592 1.00 25.00 H new ATOM 837 N GLY A 49 -2.028 -11.706 -1.757 1.00 25.00 N ATOM 838 CA GLY A 49 -3.428 -11.285 -1.819 1.00 25.00 C ATOM 839 C GLY A 49 -4.313 -11.786 -0.695 1.00 25.00 C ATOM 840 O GLY A 49 -5.529 -11.820 -0.822 1.00 25.00 O ATOM 0 H GLY A 49 -1.366 -10.930 -1.754 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.461 -10.196 -1.825 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.849 -11.622 -2.766 1.00 25.00 H new ATOM 844 N THR A 50 -3.694 -12.227 0.386 1.00 25.00 N ATOM 845 CA THR A 50 -4.400 -12.846 1.498 1.00 25.00 C ATOM 846 C THR A 50 -3.767 -12.341 2.779 1.00 25.00 C ATOM 847 O THR A 50 -2.539 -12.247 2.864 1.00 25.00 O ATOM 848 CB THR A 50 -4.246 -14.378 1.444 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.713 -14.872 0.188 1.00 25.00 O ATOM 850 CG2 THR A 50 -5.022 -15.074 2.560 1.00 25.00 C ATOM 0 H THR A 50 -2.685 -12.166 0.519 1.00 25.00 H new ATOM 0 HA THR A 50 -5.460 -12.597 1.449 1.00 25.00 H new ATOM 0 HB THR A 50 -3.186 -14.596 1.573 1.00 25.00 H new ATOM 0 HG1 THR A 50 -4.073 -14.635 -0.515 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.884 -16.152 2.482 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.655 -14.730 3.527 1.00 25.00 H new ATOM 0 HG23 THR A 50 -6.082 -14.837 2.469 1.00 25.00 H new ATOM 858 N ILE A 51 -4.578 -12.038 3.779 1.00 25.00 N ATOM 859 CA ILE A 51 -4.069 -11.573 5.058 1.00 25.00 C ATOM 860 C ILE A 51 -4.329 -12.633 6.104 1.00 25.00 C ATOM 861 O ILE A 51 -5.461 -12.966 6.437 1.00 25.00 O ATOM 862 CB ILE A 51 -4.721 -10.252 5.491 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.498 -9.154 4.442 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.174 -9.787 6.861 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.056 -8.720 4.196 1.00 25.00 C ATOM 0 H ILE A 51 -5.594 -12.106 3.729 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.999 -11.391 4.952 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.792 -10.433 5.583 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.915 -9.498 3.496 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.070 -8.276 4.742 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.652 -8.849 7.144 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.387 -10.545 7.614 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.096 -9.638 6.791 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.036 -7.941 3.434 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.629 -8.334 5.122 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.472 -9.575 3.856 1.00 25.00 H new ATOM 877 N ASP A 52 -3.242 -13.164 6.622 1.00 25.00 N ATOM 878 CA ASP A 52 -3.295 -14.188 7.649 1.00 25.00 C ATOM 879 C ASP A 52 -2.040 -14.070 8.461 1.00 25.00 C ATOM 880 O ASP A 52 -1.019 -13.578 7.984 1.00 25.00 O ATOM 881 CB ASP A 52 -3.342 -15.577 7.033 1.00 25.00 C ATOM 882 CG ASP A 52 -3.444 -16.670 8.070 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.111 -16.493 9.107 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.728 -17.670 7.910 1.00 25.00 O ATOM 0 H ASP A 52 -2.297 -12.900 6.345 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.190 -14.051 8.256 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.195 -15.642 6.357 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.446 -15.734 6.432 1.00 25.00 H new ATOM 889 N ILE A 53 -2.100 -14.555 9.681 1.00 25.00 N ATOM 890 CA ILE A 53 -0.979 -14.485 10.583 1.00 25.00 C ATOM 891 C ILE A 53 0.185 -15.340 10.098 1.00 25.00 C ATOM 892 O ILE A 53 1.332 -14.992 10.317 1.00 25.00 O ATOM 893 CB ILE A 53 -1.453 -14.875 11.997 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.402 -14.512 13.061 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.811 -16.376 12.102 1.00 25.00 C ATOM 896 CD1 ILE A 53 -0.042 -13.039 13.148 1.00 25.00 C ATOM 0 H ILE A 53 -2.926 -15.007 10.072 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.598 -13.464 10.615 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.359 -14.300 12.186 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.769 -14.837 14.035 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.507 -15.079 12.858 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.139 -16.602 13.117 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.613 -16.609 11.401 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.934 -16.977 11.862 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.705 -12.893 13.928 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.361 -12.706 12.192 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.934 -12.460 13.387 1.00 25.00 H new ATOM 908 N LYS A 54 -0.090 -16.422 9.380 1.00 25.00 N ATOM 909 CA LYS A 54 0.990 -17.271 8.868 1.00 25.00 C ATOM 910 C LYS A 54 1.799 -16.494 7.841 1.00 25.00 C ATOM 911 O LYS A 54 3.015 -16.613 7.780 1.00 25.00 O ATOM 912 CB LYS A 54 0.426 -18.547 8.236 1.00 25.00 C ATOM 913 CG LYS A 54 -0.410 -19.391 9.203 1.00 25.00 C ATOM 914 CD LYS A 54 -1.076 -20.565 8.480 1.00 25.00 C ATOM 915 CE LYS A 54 -2.306 -21.060 9.247 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.487 -20.129 9.058 1.00 25.00 N ATOM 0 H LYS A 54 -1.031 -16.732 9.140 1.00 25.00 H new ATOM 0 HA LYS A 54 1.634 -17.560 9.699 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.189 -18.276 7.378 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.251 -19.151 7.859 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.226 -19.768 10.004 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.173 -18.767 9.668 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.369 -20.258 7.476 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.361 -21.380 8.369 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.571 -22.061 8.906 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.068 -21.138 10.308 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.882 -19.877 9.986 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.174 -19.266 8.569 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -4.216 -20.604 8.489 1.00 25.00 H new ATOM 930 N ARG A 55 1.119 -15.667 7.059 1.00 25.00 N ATOM 931 CA ARG A 55 1.786 -14.860 6.039 1.00 25.00 C ATOM 932 C ARG A 55 2.461 -13.653 6.674 1.00 25.00 C ATOM 933 O ARG A 55 3.559 -13.286 6.299 1.00 25.00 O ATOM 934 CB ARG A 55 0.773 -14.422 4.980 1.00 25.00 C ATOM 935 CG ARG A 55 0.043 -15.602 4.334 1.00 25.00 C ATOM 936 CD ARG A 55 -0.941 -15.121 3.300 1.00 25.00 C ATOM 937 NE ARG A 55 -1.792 -16.205 2.778 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.531 -16.951 1.708 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.418 -16.862 1.030 1.00 25.00 N ATOM 940 NH2 ARG A 55 -2.428 -17.810 1.309 1.00 25.00 N ATOM 0 H ARG A 55 0.109 -15.535 7.109 1.00 25.00 H new ATOM 0 HA ARG A 55 2.556 -15.462 5.557 1.00 25.00 H new ATOM 0 HB2 ARG A 55 0.042 -13.755 5.437 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.287 -13.851 4.207 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.766 -16.273 3.870 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.479 -16.176 5.100 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.572 -14.347 3.737 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.398 -14.661 2.474 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.657 -16.400 3.281 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.301 -16.196 1.315 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -0.268 -17.458 0.216 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -3.309 -17.900 1.815 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.248 -18.392 0.491 1.00 25.00 H new ATOM 954 N TRP A 56 1.828 -13.070 7.680 1.00 25.00 N ATOM 955 CA TRP A 56 2.413 -11.931 8.386 1.00 25.00 C ATOM 956 C TRP A 56 3.672 -12.325 9.162 1.00 25.00 C ATOM 957 O TRP A 56 4.591 -11.529 9.316 1.00 25.00 O ATOM 958 CB TRP A 56 1.386 -11.313 9.334 1.00 25.00 C ATOM 959 CG TRP A 56 1.842 -9.998 9.901 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.094 -9.704 11.199 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.131 -8.784 9.175 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.503 -8.412 11.357 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.544 -7.810 10.131 1.00 25.00 C ATOM 964 CE3 TRP A 56 2.095 -8.423 7.813 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.925 -6.503 9.762 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.480 -7.113 7.437 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.889 -6.164 8.421 1.00 25.00 C ATOM 0 H TRP A 56 0.914 -13.361 8.028 1.00 25.00 H new ATOM 0 HA TRP A 56 2.703 -11.195 7.636 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.446 -11.169 8.801 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.187 -12.007 10.150 1.00 25.00 H new ATOM 0 HD1 TRP A 56 1.984 -10.408 12.011 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.739 -7.968 12.245 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.778 -9.136 7.066 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.237 -5.786 10.507 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.464 -6.829 6.395 1.00 25.00 H new ATOM 0 HH2 TRP A 56 3.174 -5.168 8.115 1.00 25.00 H new ATOM 978 N ARG A 57 3.744 -13.572 9.611 1.00 25.00 N ATOM 979 CA ARG A 57 4.940 -14.062 10.303 1.00 25.00 C ATOM 980 C ARG A 57 6.144 -14.053 9.375 1.00 25.00 C ATOM 981 O ARG A 57 7.205 -13.581 9.757 1.00 25.00 O ATOM 982 CB ARG A 57 4.690 -15.447 10.888 1.00 25.00 C ATOM 983 CG ARG A 57 3.885 -15.371 12.185 1.00 25.00 C ATOM 984 CD ARG A 57 3.175 -16.671 12.475 1.00 25.00 C ATOM 985 NE ARG A 57 2.357 -16.574 13.702 1.00 25.00 N ATOM 986 CZ ARG A 57 1.683 -17.570 14.266 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.746 -18.798 13.811 1.00 25.00 N ATOM 988 NH2 ARG A 57 0.924 -17.327 15.301 1.00 25.00 N ATOM 0 H ARG A 57 2.998 -14.261 9.512 1.00 25.00 H new ATOM 0 HA ARG A 57 5.162 -13.388 11.131 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.155 -16.059 10.162 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.643 -15.940 11.079 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.550 -15.126 13.013 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.155 -14.565 12.114 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.538 -16.936 11.631 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.907 -17.471 12.586 1.00 25.00 H new ATOM 0 HE ARG A 57 2.305 -15.662 14.156 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.326 -19.012 13.000 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.215 -19.539 14.268 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.853 -16.379 15.670 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.403 -18.086 15.741 1.00 25.00 H new ATOM 1002 N ARG A 58 5.929 -14.436 8.121 1.00 25.00 N ATOM 1003 CA ARG A 58 6.988 -14.357 7.093 1.00 25.00 C ATOM 1004 C ARG A 58 7.580 -12.960 6.965 1.00 25.00 C ATOM 1005 O ARG A 58 8.743 -12.812 6.639 1.00 25.00 O ATOM 1006 CB ARG A 58 6.466 -14.741 5.709 1.00 25.00 C ATOM 1007 CG ARG A 58 5.926 -16.148 5.588 1.00 25.00 C ATOM 1008 CD ARG A 58 5.498 -16.421 4.149 1.00 25.00 C ATOM 1009 NE ARG A 58 6.658 -16.401 3.234 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.769 -15.659 2.136 1.00 25.00 C ATOM 1011 NH1 ARG A 58 5.828 -14.855 1.713 1.00 25.00 N ATOM 1012 NH2 ARG A 58 7.875 -15.724 1.444 1.00 25.00 N ATOM 0 H ARG A 58 5.040 -14.804 7.782 1.00 25.00 H new ATOM 0 HA ARG A 58 7.753 -15.057 7.429 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.678 -14.042 5.430 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.273 -14.616 4.987 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.688 -16.866 5.892 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.078 -16.280 6.260 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.003 -17.390 4.092 1.00 25.00 H new ATOM 0 HD3 ARG A 58 4.771 -15.672 3.835 1.00 25.00 H new ATOM 0 HE ARG A 58 7.443 -17.010 3.465 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.954 -14.774 2.233 1.00 25.00 H new ATOM 0 HH12 ARG A 58 5.968 -14.309 0.863 1.00 25.00 H new ATOM 0 HH21 ARG A 58 8.632 -16.335 1.749 1.00 25.00 H new ATOM 0 HH22 ARG A 58 7.981 -15.163 0.599 1.00 25.00 H new ATOM 1026 N VAL A 59 6.770 -11.936 7.185 1.00 25.00 N ATOM 1027 CA VAL A 59 7.231 -10.552 7.055 1.00 25.00 C ATOM 1028 C VAL A 59 8.230 -10.233 8.151 1.00 25.00 C ATOM 1029 O VAL A 59 9.233 -9.566 7.924 1.00 25.00 O ATOM 1030 CB VAL A 59 6.046 -9.558 7.155 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.514 -8.129 6.983 1.00 25.00 C ATOM 1032 CG2 VAL A 59 5.004 -9.899 6.111 1.00 25.00 C ATOM 0 H VAL A 59 5.791 -12.031 7.454 1.00 25.00 H new ATOM 0 HA VAL A 59 7.701 -10.448 6.077 1.00 25.00 H new ATOM 0 HB VAL A 59 5.605 -9.647 8.148 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.661 -7.455 7.058 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.237 -7.887 7.762 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.982 -8.015 6.005 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.172 -9.198 6.184 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.448 -9.832 5.118 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.640 -10.913 6.278 1.00 25.00 H new ATOM 1042 N GLY A 60 7.964 -10.741 9.341 1.00 25.00 N ATOM 1043 CA GLY A 60 8.854 -10.512 10.458 1.00 25.00 C ATOM 1044 C GLY A 60 10.154 -11.261 10.268 1.00 25.00 C ATOM 1045 O GLY A 60 11.228 -10.736 10.554 1.00 25.00 O ATOM 0 H GLY A 60 7.145 -11.310 9.555 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.054 -9.445 10.557 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.375 -10.834 11.383 1.00 25.00 H new ATOM 1049 N ASP A 61 10.059 -12.465 9.720 1.00 25.00 N ATOM 1050 CA ASP A 61 11.243 -13.272 9.415 1.00 25.00 C ATOM 1051 C ASP A 61 12.087 -12.515 8.387 1.00 25.00 C ATOM 1052 O ASP A 61 13.312 -12.451 8.472 1.00 25.00 O ATOM 1053 CB ASP A 61 10.836 -14.636 8.831 1.00 25.00 C ATOM 1054 CG ASP A 61 9.940 -15.440 9.767 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.157 -15.416 10.997 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.999 -16.097 9.258 1.00 25.00 O ATOM 0 H ASP A 61 9.174 -12.909 9.475 1.00 25.00 H new ATOM 0 HA ASP A 61 11.809 -13.445 10.330 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.317 -14.480 7.885 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.734 -15.214 8.611 1.00 25.00 H new ATOM 1061 N CYS A 62 11.403 -11.902 7.431 1.00 25.00 N ATOM 1062 CA CYS A 62 12.052 -11.111 6.394 1.00 25.00 C ATOM 1063 C CYS A 62 12.740 -9.872 6.955 1.00 25.00 C ATOM 1064 O CYS A 62 13.841 -9.545 6.536 1.00 25.00 O ATOM 1065 CB CYS A 62 11.022 -10.672 5.361 1.00 25.00 C ATOM 1066 SG CYS A 62 11.395 -11.217 3.676 1.00 25.00 S ATOM 0 H CYS A 62 10.387 -11.938 7.352 1.00 25.00 H new ATOM 0 HA CYS A 62 12.813 -11.744 5.938 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.045 -11.059 5.650 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.950 -9.584 5.373 1.00 25.00 H new ATOM 0 HG CYS A 62 11.354 -10.197 2.871 1.00 25.00 H new ATOM 1072 N PHE A 63 12.116 -9.181 7.903 1.00 25.00 N ATOM 1073 CA PHE A 63 12.753 -8.000 8.493 1.00 25.00 C ATOM 1074 C PHE A 63 14.014 -8.420 9.213 1.00 25.00 C ATOM 1075 O PHE A 63 14.990 -7.692 9.201 1.00 25.00 O ATOM 1076 CB PHE A 63 11.864 -7.291 9.520 1.00 25.00 C ATOM 1077 CG PHE A 63 10.653 -6.597 8.937 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.727 -5.896 7.715 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.434 -6.602 9.643 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.594 -5.220 7.196 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.300 -5.916 9.138 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.382 -5.229 7.910 1.00 25.00 C ATOM 0 H PHE A 63 11.193 -9.407 8.275 1.00 25.00 H new ATOM 0 HA PHE A 63 12.953 -7.314 7.670 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.528 -8.022 10.255 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.465 -6.555 10.054 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.658 -5.874 7.168 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.362 -7.134 10.580 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.661 -4.698 6.253 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.374 -5.920 9.694 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.518 -4.712 7.519 1.00 25.00 H new ATOM 1092 N GLN A 64 13.996 -9.590 9.838 1.00 25.00 N ATOM 1093 CA GLN A 64 15.163 -10.069 10.569 1.00 25.00 C ATOM 1094 C GLN A 64 16.314 -10.308 9.595 1.00 25.00 C ATOM 1095 O GLN A 64 17.445 -9.928 9.855 1.00 25.00 O ATOM 1096 CB GLN A 64 14.823 -11.364 11.318 1.00 25.00 C ATOM 1097 CG GLN A 64 15.853 -11.759 12.375 1.00 25.00 C ATOM 1098 CD GLN A 64 15.498 -11.247 13.758 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.006 -10.146 13.925 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.738 -12.058 14.756 1.00 25.00 N ATOM 0 H GLN A 64 13.194 -10.220 9.854 1.00 25.00 H new ATOM 0 HA GLN A 64 15.463 -9.316 11.298 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.851 -11.250 11.798 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.729 -12.175 10.596 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.939 -12.845 12.405 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.830 -11.370 12.088 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.151 -12.974 14.581 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.512 -11.774 15.709 1.00 25.00 H new ATOM 1109 N ASP A 65 16.011 -10.911 8.457 1.00 25.00 N ATOM 1110 CA ASP A 65 17.021 -11.183 7.429 1.00 25.00 C ATOM 1111 C ASP A 65 17.584 -9.887 6.856 1.00 25.00 C ATOM 1112 O ASP A 65 18.794 -9.708 6.721 1.00 25.00 O ATOM 1113 CB ASP A 65 16.369 -11.978 6.302 1.00 25.00 C ATOM 1114 CG ASP A 65 17.385 -12.612 5.362 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.470 -13.010 5.831 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.073 -12.755 4.156 1.00 25.00 O ATOM 0 H ASP A 65 15.071 -11.225 8.215 1.00 25.00 H new ATOM 0 HA ASP A 65 17.838 -11.745 7.881 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.741 -12.759 6.731 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.714 -11.320 5.731 1.00 25.00 H new ATOM 1121 N TYR A 66 16.684 -8.967 6.552 1.00 25.00 N ATOM 1122 CA TYR A 66 17.042 -7.673 5.983 1.00 25.00 C ATOM 1123 C TYR A 66 17.896 -6.892 6.985 1.00 25.00 C ATOM 1124 O TYR A 66 18.860 -6.218 6.610 1.00 25.00 O ATOM 1125 CB TYR A 66 15.737 -6.931 5.649 1.00 25.00 C ATOM 1126 CG TYR A 66 15.773 -5.905 4.519 1.00 25.00 C ATOM 1127 CD1 TYR A 66 16.669 -6.023 3.432 1.00 25.00 C ATOM 1128 CD2 TYR A 66 14.844 -4.840 4.501 1.00 25.00 C ATOM 1129 CE1 TYR A 66 16.626 -5.095 2.350 1.00 25.00 C ATOM 1130 CE2 TYR A 66 14.798 -3.922 3.418 1.00 25.00 C ATOM 1131 CZ TYR A 66 15.683 -4.064 2.354 1.00 25.00 C ATOM 1132 OH TYR A 66 15.630 -3.196 1.291 1.00 25.00 O ATOM 0 H TYR A 66 15.682 -9.094 6.692 1.00 25.00 H new ATOM 0 HA TYR A 66 17.631 -7.789 5.073 1.00 25.00 H new ATOM 0 HB2 TYR A 66 14.981 -7.676 5.401 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.399 -6.423 6.552 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.393 -6.824 3.421 1.00 25.00 H new ATOM 0 HD2 TYR A 66 14.157 -4.722 5.326 1.00 25.00 H new ATOM 0 HE1 TYR A 66 17.321 -5.189 1.529 1.00 25.00 H new ATOM 0 HE2 TYR A 66 14.078 -3.117 3.421 1.00 25.00 H new ATOM 0 HH TYR A 66 14.719 -2.846 1.199 1.00 25.00 H new ATOM 1142 N PHE A 67 17.570 -7.036 8.263 1.00 25.00 N ATOM 1143 CA PHE A 67 18.330 -6.382 9.336 1.00 25.00 C ATOM 1144 C PHE A 67 19.707 -7.023 9.496 1.00 25.00 C ATOM 1145 O PHE A 67 20.695 -6.333 9.670 1.00 25.00 O ATOM 1146 CB PHE A 67 17.566 -6.480 10.663 1.00 25.00 C ATOM 1147 CG PHE A 67 18.237 -5.764 11.811 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.229 -6.408 12.578 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.863 -4.450 12.150 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.854 -5.742 13.663 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.472 -3.779 13.236 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.473 -4.423 13.990 1.00 25.00 C ATOM 0 H PHE A 67 16.784 -7.599 8.588 1.00 25.00 H new ATOM 0 HA PHE A 67 18.458 -5.334 9.066 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.566 -6.069 10.526 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.445 -7.531 10.924 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.517 -7.421 12.337 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.101 -3.947 11.573 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.619 -6.243 14.237 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.170 -2.773 13.487 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.946 -3.910 14.814 1.00 25.00 H new ATOM 1162 N ASN A 68 19.779 -8.343 9.427 1.00 25.00 N ATOM 1163 CA ASN A 68 21.057 -9.037 9.601 1.00 25.00 C ATOM 1164 C ASN A 68 21.999 -8.733 8.443 1.00 25.00 C ATOM 1165 O ASN A 68 23.210 -8.679 8.615 1.00 25.00 O ATOM 1166 CB ASN A 68 20.847 -10.554 9.676 1.00 25.00 C ATOM 1167 CG ASN A 68 20.166 -10.990 10.949 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.276 -10.353 11.983 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.481 -12.100 10.885 1.00 25.00 N ATOM 0 H ASN A 68 18.981 -8.954 9.254 1.00 25.00 H new ATOM 0 HA ASN A 68 21.496 -8.682 10.533 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.251 -10.876 8.822 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.812 -11.054 9.597 1.00 25.00 H new ATOM 0 HD21 ASN A 68 19.016 -12.461 11.718 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.411 -12.606 10.002 1.00 25.00 H new ATOM 1176 N THR A 69 21.437 -8.561 7.257 1.00 25.00 N ATOM 1177 CA THR A 69 22.238 -8.323 6.059 1.00 25.00 C ATOM 1178 C THR A 69 22.774 -6.889 5.978 1.00 25.00 C ATOM 1179 O THR A 69 23.907 -6.673 5.551 1.00 25.00 O ATOM 1180 CB THR A 69 21.398 -8.610 4.784 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.832 -9.919 4.870 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.253 -8.574 3.527 1.00 25.00 C ATOM 0 H THR A 69 20.430 -8.581 7.095 1.00 25.00 H new ATOM 0 HA THR A 69 23.090 -9.000 6.120 1.00 25.00 H new ATOM 0 HB THR A 69 20.629 -7.840 4.725 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.151 -9.935 5.574 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.629 -8.779 2.657 1.00 25.00 H new ATOM 0 HG22 THR A 69 22.707 -7.588 3.424 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.036 -9.328 3.598 1.00 25.00 H new ATOM 1190 N PHE A 70 21.955 -5.907 6.340 1.00 25.00 N ATOM 1191 CA PHE A 70 22.324 -4.499 6.140 1.00 25.00 C ATOM 1192 C PHE A 70 22.388 -3.636 7.407 1.00 25.00 C ATOM 1193 O PHE A 70 22.656 -2.436 7.331 1.00 25.00 O ATOM 1194 CB PHE A 70 21.337 -3.869 5.167 1.00 25.00 C ATOM 1195 CG PHE A 70 21.278 -4.552 3.831 1.00 25.00 C ATOM 1196 CD1 PHE A 70 22.333 -4.411 2.911 1.00 25.00 C ATOM 1197 CD2 PHE A 70 20.163 -5.334 3.478 1.00 25.00 C ATOM 1198 CE1 PHE A 70 22.281 -5.044 1.644 1.00 25.00 C ATOM 1199 CE2 PHE A 70 20.097 -5.972 2.212 1.00 25.00 C ATOM 1200 CZ PHE A 70 21.160 -5.825 1.296 1.00 25.00 C ATOM 0 H PHE A 70 21.041 -6.051 6.769 1.00 25.00 H new ATOM 0 HA PHE A 70 23.344 -4.520 5.756 1.00 25.00 H new ATOM 0 HB2 PHE A 70 20.343 -3.881 5.614 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.606 -2.823 5.018 1.00 25.00 H new ATOM 0 HD1 PHE A 70 23.193 -3.813 3.173 1.00 25.00 H new ATOM 0 HD2 PHE A 70 19.349 -5.450 4.178 1.00 25.00 H new ATOM 0 HE1 PHE A 70 23.098 -4.928 0.947 1.00 25.00 H new ATOM 0 HE2 PHE A 70 19.235 -6.568 1.950 1.00 25.00 H new ATOM 0 HZ PHE A 70 21.115 -6.309 0.332 1.00 25.00 H new ATOM 1210 N GLY A 71 22.158 -4.231 8.563 1.00 25.00 N ATOM 1211 CA GLY A 71 22.254 -3.500 9.818 1.00 25.00 C ATOM 1212 C GLY A 71 21.063 -2.606 10.133 1.00 25.00 C ATOM 1213 O GLY A 71 20.074 -2.561 9.380 1.00 25.00 O ATOM 0 H GLY A 71 21.904 -5.214 8.662 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.377 -4.216 10.630 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.154 -2.886 9.796 1.00 25.00 H new ATOM 1217 N PRO A 72 21.135 -1.847 11.245 1.00 25.00 N ATOM 1218 CA PRO A 72 20.028 -0.970 11.645 1.00 25.00 C ATOM 1219 C PRO A 72 19.851 0.244 10.741 1.00 25.00 C ATOM 1220 O PRO A 72 18.823 0.912 10.778 1.00 25.00 O ATOM 1221 CB PRO A 72 20.429 -0.544 13.060 1.00 25.00 C ATOM 1222 CG PRO A 72 21.905 -0.552 13.033 1.00 25.00 C ATOM 1223 CD PRO A 72 22.251 -1.769 12.210 1.00 25.00 C ATOM 0 HA PRO A 72 19.067 -1.480 11.583 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.040 0.445 13.304 1.00 25.00 H new ATOM 0 HB3 PRO A 72 20.040 -1.234 13.809 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.300 0.359 12.584 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.322 -0.619 14.038 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.212 -1.656 11.708 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.316 -2.667 12.825 1.00 25.00 H new ATOM 1231 N GLU A 73 20.845 0.500 9.902 1.00 25.00 N ATOM 1232 CA GLU A 73 20.800 1.612 8.959 1.00 25.00 C ATOM 1233 C GLU A 73 19.730 1.368 7.899 1.00 25.00 C ATOM 1234 O GLU A 73 19.201 2.302 7.299 1.00 25.00 O ATOM 1235 CB GLU A 73 22.163 1.764 8.272 1.00 25.00 C ATOM 1236 CG GLU A 73 23.332 1.912 9.244 1.00 25.00 C ATOM 1237 CD GLU A 73 23.132 3.058 10.224 1.00 25.00 C ATOM 1238 OE1 GLU A 73 22.965 4.212 9.778 1.00 25.00 O ATOM 1239 OE2 GLU A 73 23.123 2.793 11.447 1.00 25.00 O ATOM 0 H GLU A 73 21.701 -0.053 9.854 1.00 25.00 H new ATOM 0 HA GLU A 73 20.559 2.522 9.508 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.338 0.895 7.638 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.134 2.636 7.618 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.460 0.982 9.798 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.251 2.076 8.681 1.00 25.00 H new ATOM 1246 N LYS A 74 19.418 0.099 7.662 1.00 25.00 N ATOM 1247 CA LYS A 74 18.425 -0.264 6.651 1.00 25.00 C ATOM 1248 C LYS A 74 17.076 -0.610 7.244 1.00 25.00 C ATOM 1249 O LYS A 74 16.046 -0.308 6.643 1.00 25.00 O ATOM 1250 CB LYS A 74 18.929 -1.438 5.829 1.00 25.00 C ATOM 1251 CG LYS A 74 19.010 -1.151 4.334 1.00 25.00 C ATOM 1252 CD LYS A 74 17.628 -0.967 3.705 1.00 25.00 C ATOM 1253 CE LYS A 74 17.738 -0.726 2.209 1.00 25.00 C ATOM 1254 NZ LYS A 74 18.280 -1.932 1.502 1.00 25.00 N ATOM 0 H LYS A 74 19.834 -0.693 8.151 1.00 25.00 H new ATOM 0 HA LYS A 74 18.286 0.614 6.020 1.00 25.00 H new ATOM 0 HB2 LYS A 74 19.917 -1.724 6.189 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.271 -2.292 5.991 1.00 25.00 H new ATOM 0 HG2 LYS A 74 19.604 -0.252 4.170 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.528 -1.971 3.836 1.00 25.00 H new ATOM 0 HD2 LYS A 74 17.019 -1.852 3.891 1.00 25.00 H new ATOM 0 HD3 LYS A 74 17.119 -0.126 4.176 1.00 25.00 H new ATOM 0 HE2 LYS A 74 16.757 -0.476 1.806 1.00 25.00 H new ATOM 0 HE3 LYS A 74 18.387 0.130 2.023 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 18.471 -1.695 0.508 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 19.162 -2.236 1.961 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 17.583 -2.703 1.546 1.00 25.00 H new ATOM 1268 N VAL A 75 17.061 -1.234 8.413 1.00 25.00 N ATOM 1269 CA VAL A 75 15.793 -1.522 9.077 1.00 25.00 C ATOM 1270 C VAL A 75 15.884 -0.969 10.493 1.00 25.00 C ATOM 1271 O VAL A 75 16.800 -1.314 11.233 1.00 25.00 O ATOM 1272 CB VAL A 75 15.565 -3.072 9.155 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.228 -3.413 9.835 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.610 -3.698 7.764 1.00 25.00 C ATOM 0 H VAL A 75 17.892 -1.546 8.915 1.00 25.00 H new ATOM 0 HA VAL A 75 14.969 -1.072 8.524 1.00 25.00 H new ATOM 0 HB VAL A 75 16.372 -3.486 9.759 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.104 -4.495 9.871 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.223 -3.013 10.849 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.408 -2.973 9.267 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.449 -4.773 7.844 1.00 25.00 H new ATOM 0 HG22 VAL A 75 14.829 -3.260 7.142 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.583 -3.509 7.311 1.00 25.00 H new ATOM 1284 N PRO A 76 14.875 -0.204 10.937 1.00 25.00 N ATOM 1285 CA PRO A 76 14.977 0.233 12.329 1.00 25.00 C ATOM 1286 C PRO A 76 14.512 -0.848 13.288 1.00 25.00 C ATOM 1287 O PRO A 76 13.649 -1.654 12.957 1.00 25.00 O ATOM 1288 CB PRO A 76 14.045 1.440 12.371 1.00 25.00 C ATOM 1289 CG PRO A 76 12.988 1.125 11.377 1.00 25.00 C ATOM 1290 CD PRO A 76 13.681 0.356 10.270 1.00 25.00 C ATOM 0 HA PRO A 76 15.999 0.460 12.632 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.624 1.583 13.366 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.572 2.358 12.113 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.192 0.532 11.827 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.528 2.036 10.993 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.042 -0.429 9.865 1.00 25.00 H new ATOM 0 HD3 PRO A 76 13.953 1.006 9.439 1.00 25.00 H new ATOM 1298 N VAL A 77 15.007 -0.827 14.514 1.00 25.00 N ATOM 1299 CA VAL A 77 14.560 -1.796 15.512 1.00 25.00 C ATOM 1300 C VAL A 77 13.081 -1.575 15.862 1.00 25.00 C ATOM 1301 O VAL A 77 12.392 -2.490 16.310 1.00 25.00 O ATOM 1302 CB VAL A 77 15.441 -1.748 16.792 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.884 -2.158 16.454 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.435 -0.342 17.428 1.00 25.00 C ATOM 0 H VAL A 77 15.708 -0.163 14.843 1.00 25.00 H new ATOM 0 HA VAL A 77 14.667 -2.789 15.076 1.00 25.00 H new ATOM 0 HB VAL A 77 15.021 -2.449 17.513 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.494 -2.121 17.357 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.890 -3.172 16.053 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.293 -1.472 15.712 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.061 -0.344 18.321 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.825 0.382 16.713 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.415 -0.070 17.700 1.00 25.00 H new ATOM 1314 N THR A 78 12.564 -0.382 15.589 1.00 25.00 N ATOM 1315 CA THR A 78 11.151 -0.104 15.839 1.00 25.00 C ATOM 1316 C THR A 78 10.265 -0.790 14.811 1.00 25.00 C ATOM 1317 O THR A 78 9.094 -1.014 15.070 1.00 25.00 O ATOM 1318 CB THR A 78 10.838 1.420 15.866 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.616 1.644 16.572 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.694 2.018 14.485 1.00 25.00 C ATOM 0 H THR A 78 13.092 0.399 15.200 1.00 25.00 H new ATOM 0 HA THR A 78 10.933 -0.507 16.828 1.00 25.00 H new ATOM 0 HB THR A 78 11.683 1.902 16.358 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.962 0.960 16.319 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.476 3.083 14.570 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.622 1.881 13.930 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.879 1.522 13.957 1.00 25.00 H new ATOM 1328 N ALA A 79 10.814 -1.180 13.665 1.00 25.00 N ATOM 1329 CA ALA A 79 10.008 -1.862 12.658 1.00 25.00 C ATOM 1330 C ALA A 79 9.490 -3.181 13.218 1.00 25.00 C ATOM 1331 O ALA A 79 8.366 -3.562 12.955 1.00 25.00 O ATOM 1332 CB ALA A 79 10.815 -2.095 11.395 1.00 25.00 C ATOM 0 H ALA A 79 11.792 -1.040 13.413 1.00 25.00 H new ATOM 0 HA ALA A 79 9.157 -1.231 12.401 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.196 -2.605 10.657 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.146 -1.137 10.993 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.684 -2.711 11.627 1.00 25.00 H new ATOM 1338 N PHE A 80 10.297 -3.845 14.032 1.00 25.00 N ATOM 1339 CA PHE A 80 9.887 -5.101 14.656 1.00 25.00 C ATOM 1340 C PHE A 80 8.818 -4.857 15.718 1.00 25.00 C ATOM 1341 O PHE A 80 7.955 -5.695 15.957 1.00 25.00 O ATOM 1342 CB PHE A 80 11.094 -5.775 15.305 1.00 25.00 C ATOM 1343 CG PHE A 80 12.188 -6.109 14.332 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.204 -7.356 13.682 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.218 -5.186 14.066 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.233 -7.682 12.777 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.256 -5.500 13.160 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.262 -6.754 12.514 1.00 25.00 C ATOM 0 H PHE A 80 11.238 -3.539 14.278 1.00 25.00 H new ATOM 0 HA PHE A 80 9.473 -5.747 13.881 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.494 -5.119 16.078 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.767 -6.689 15.800 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.419 -8.071 13.879 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.214 -4.226 14.561 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.234 -8.643 12.284 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.040 -4.784 12.963 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.052 -7.003 11.820 1.00 25.00 H new ATOM 1358 N SER A 81 8.871 -3.698 16.351 1.00 25.00 N ATOM 1359 CA SER A 81 7.906 -3.345 17.397 1.00 25.00 C ATOM 1360 C SER A 81 6.569 -3.023 16.741 1.00 25.00 C ATOM 1361 O SER A 81 5.524 -3.529 17.148 1.00 25.00 O ATOM 1362 CB SER A 81 8.404 -2.140 18.201 1.00 25.00 C ATOM 1363 OG SER A 81 7.512 -1.827 19.256 1.00 25.00 O ATOM 0 H SER A 81 9.570 -2.979 16.164 1.00 25.00 H new ATOM 0 HA SER A 81 7.789 -4.184 18.083 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.392 -2.354 18.608 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.510 -1.278 17.542 1.00 25.00 H new ATOM 0 HG SER A 81 7.853 -1.056 19.755 1.00 25.00 H new ATOM 1369 N TYR A 82 6.627 -2.243 15.673 1.00 25.00 N ATOM 1370 CA TYR A 82 5.449 -1.926 14.879 1.00 25.00 C ATOM 1371 C TYR A 82 4.857 -3.210 14.327 1.00 25.00 C ATOM 1372 O TYR A 82 3.661 -3.437 14.411 1.00 25.00 O ATOM 1373 CB TYR A 82 5.836 -1.017 13.714 1.00 25.00 C ATOM 1374 CG TYR A 82 5.619 0.450 13.987 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.355 1.028 13.768 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.670 1.281 14.452 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.138 2.411 13.991 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.450 2.668 14.673 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.187 3.216 14.433 1.00 25.00 C ATOM 1380 OH TYR A 82 4.949 4.550 14.622 1.00 25.00 O ATOM 0 H TYR A 82 7.487 -1.813 15.333 1.00 25.00 H new ATOM 0 HA TYR A 82 4.719 -1.418 15.509 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.886 -1.180 13.472 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.258 -1.303 12.835 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.539 0.409 13.425 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.645 0.857 14.640 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.162 2.840 13.819 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.255 3.296 15.025 1.00 25.00 H new ATOM 0 HH TYR A 82 5.272 5.053 13.845 1.00 25.00 H new ATOM 1390 N TRP A 83 5.712 -4.067 13.793 1.00 25.00 N ATOM 1391 CA TRP A 83 5.290 -5.336 13.214 1.00 25.00 C ATOM 1392 C TRP A 83 4.543 -6.200 14.225 1.00 25.00 C ATOM 1393 O TRP A 83 3.531 -6.830 13.893 1.00 25.00 O ATOM 1394 CB TRP A 83 6.526 -6.092 12.722 1.00 25.00 C ATOM 1395 CG TRP A 83 6.219 -7.470 12.267 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.772 -7.864 11.050 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.323 -8.677 13.045 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.572 -9.211 11.002 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.896 -9.749 12.215 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.735 -8.962 14.363 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.863 -11.077 12.662 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.710 -10.303 14.817 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.273 -11.348 13.953 1.00 25.00 C ATOM 0 H TRP A 83 6.718 -3.904 13.748 1.00 25.00 H new ATOM 0 HA TRP A 83 4.611 -5.124 12.388 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.982 -5.537 11.902 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.262 -6.136 13.525 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.596 -7.194 10.221 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.235 -9.732 10.193 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.065 -8.169 15.017 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.525 -11.870 12.012 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.024 -10.535 15.824 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.262 -12.366 14.312 1.00 25.00 H new ATOM 1414 N ASN A 84 5.025 -6.212 15.460 1.00 25.00 N ATOM 1415 CA ASN A 84 4.406 -7.005 16.521 1.00 25.00 C ATOM 1416 C ASN A 84 2.988 -6.523 16.815 1.00 25.00 C ATOM 1417 O ASN A 84 2.127 -7.322 17.174 1.00 25.00 O ATOM 1418 CB ASN A 84 5.242 -6.937 17.806 1.00 25.00 C ATOM 1419 CG ASN A 84 6.178 -8.115 17.956 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.762 -9.212 18.302 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.435 -7.899 17.704 1.00 25.00 N ATOM 0 H ASN A 84 5.844 -5.681 15.755 1.00 25.00 H new ATOM 0 HA ASN A 84 4.361 -8.037 16.173 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.822 -6.014 17.809 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.575 -6.896 18.667 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.111 -8.658 17.793 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.746 -6.971 17.418 1.00 25.00 H new ATOM 1428 N LEU A 85 2.742 -5.231 16.631 1.00 25.00 N ATOM 1429 CA LEU A 85 1.434 -4.642 16.914 1.00 25.00 C ATOM 1430 C LEU A 85 0.408 -5.189 15.928 1.00 25.00 C ATOM 1431 O LEU A 85 -0.695 -5.566 16.300 1.00 25.00 O ATOM 1432 CB LEU A 85 1.541 -3.107 16.821 1.00 25.00 C ATOM 1433 CG LEU A 85 0.394 -2.233 17.355 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.926 -0.814 17.592 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.799 -2.159 16.405 1.00 25.00 C ATOM 0 H LEU A 85 3.434 -4.566 16.285 1.00 25.00 H new ATOM 0 HA LEU A 85 1.109 -4.904 17.921 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.449 -2.811 17.346 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.683 -2.853 15.771 1.00 25.00 H new ATOM 0 HG LEU A 85 0.041 -2.692 18.278 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.122 -0.183 17.971 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.736 -0.846 18.320 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.298 -0.403 16.653 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.573 -1.527 16.841 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.480 -1.736 15.452 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.197 -3.161 16.242 1.00 25.00 H new ATOM 1447 N ILE A 86 0.780 -5.271 14.661 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.139 -5.800 13.657 1.00 25.00 C ATOM 1449 C ILE A 86 -0.236 -7.319 13.798 1.00 25.00 C ATOM 1450 O ILE A 86 -1.281 -7.914 13.543 1.00 25.00 O ATOM 1451 CB ILE A 86 0.286 -5.420 12.226 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.356 -3.892 12.092 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.721 -5.958 11.204 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.739 -3.397 11.795 1.00 25.00 C ATOM 0 H ILE A 86 1.692 -4.985 14.304 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.118 -5.353 13.830 1.00 25.00 H new ATOM 0 HB ILE A 86 1.265 -5.858 12.033 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.318 -3.570 11.298 1.00 25.00 H new ATOM 0 HG13 ILE A 86 0.002 -3.434 13.016 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.404 -5.679 10.199 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.772 -7.044 11.280 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.705 -5.534 11.404 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.726 -2.310 11.711 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.412 -3.691 12.601 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.086 -3.829 10.857 1.00 25.00 H new ATOM 1466 N LYS A 87 0.838 -7.947 14.257 1.00 25.00 N ATOM 1467 CA LYS A 87 0.835 -9.392 14.457 1.00 25.00 C ATOM 1468 C LYS A 87 -0.263 -9.772 15.439 1.00 25.00 C ATOM 1469 O LYS A 87 -1.033 -10.673 15.155 1.00 25.00 O ATOM 1470 CB LYS A 87 2.227 -9.864 14.918 1.00 25.00 C ATOM 1471 CG LYS A 87 2.242 -10.890 16.049 1.00 25.00 C ATOM 1472 CD LYS A 87 3.653 -11.168 16.502 1.00 25.00 C ATOM 1473 CE LYS A 87 3.658 -11.920 17.828 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.044 -11.982 18.402 1.00 25.00 N ATOM 0 H LYS A 87 1.715 -7.485 14.496 1.00 25.00 H new ATOM 0 HA LYS A 87 0.621 -9.898 13.516 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.748 -10.290 14.060 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.798 -8.992 15.237 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.652 -10.521 16.888 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.774 -11.815 15.713 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.174 -11.754 15.745 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.197 -10.229 16.609 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.989 -11.426 18.533 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.276 -12.930 17.680 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.004 -12.376 19.363 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.641 -12.588 17.804 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.448 -11.024 18.437 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.378 -9.080 16.561 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.414 -9.430 17.532 1.00 25.00 C ATOM 1490 C GLU A 88 -2.796 -9.017 17.030 1.00 25.00 C ATOM 1491 O GLU A 88 -3.784 -9.676 17.335 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.111 -8.836 18.916 1.00 25.00 C ATOM 1493 CG GLU A 88 -0.959 -7.333 18.943 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.580 -6.818 20.313 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.445 -6.827 21.212 1.00 25.00 O ATOM 1496 OE2 GLU A 88 0.543 -6.297 20.470 1.00 25.00 O ATOM 0 H GLU A 88 0.214 -8.292 16.822 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.415 -10.514 17.643 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.912 -9.118 19.600 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.194 -9.286 19.296 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.198 -7.034 18.222 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.895 -6.870 18.629 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.869 -7.984 16.196 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.149 -7.579 15.614 1.00 25.00 C ATOM 1505 C LEU A 89 -4.716 -8.673 14.711 1.00 25.00 C ATOM 1506 O LEU A 89 -5.911 -8.938 14.742 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.016 -6.274 14.820 1.00 25.00 C ATOM 1508 CG LEU A 89 -3.965 -4.972 15.640 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.673 -3.792 14.707 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.277 -4.709 16.395 1.00 25.00 C ATOM 0 H LEU A 89 -2.071 -7.418 15.910 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.837 -7.414 16.443 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.110 -6.333 14.217 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.856 -6.209 14.128 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.172 -5.081 16.380 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.637 -2.870 15.287 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.714 -3.948 14.213 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.460 -3.718 13.957 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.192 -3.780 16.959 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.097 -4.627 15.682 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.473 -5.533 17.081 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.871 -9.320 13.919 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.345 -10.399 13.047 1.00 25.00 C ATOM 1524 C ILE A 90 -4.530 -11.683 13.862 1.00 25.00 C ATOM 1525 O ILE A 90 -5.505 -12.410 13.677 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.365 -10.706 11.873 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.090 -9.446 11.027 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.975 -11.800 10.950 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.879 -9.599 10.085 1.00 25.00 C ATOM 0 H ILE A 90 -2.872 -9.126 13.858 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.289 -10.059 12.622 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.427 -11.052 12.307 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.975 -9.213 10.435 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.920 -8.600 11.692 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.287 -12.011 10.132 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.143 -12.710 11.526 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.923 -11.447 10.545 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.740 -8.678 9.519 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.984 -9.802 10.673 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.056 -10.425 9.396 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.603 -11.957 14.772 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.645 -13.183 15.583 1.00 25.00 C ATOM 1543 C ASP A 91 -4.920 -13.232 16.421 1.00 25.00 C ATOM 1544 O ASP A 91 -5.477 -14.298 16.660 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.409 -13.252 16.492 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.201 -14.627 17.102 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.778 -14.906 18.176 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -1.391 -15.411 16.537 1.00 25.00 O ATOM 0 H ASP A 91 -2.808 -11.350 14.972 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.643 -14.043 14.913 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.525 -12.978 15.916 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.510 -12.517 17.291 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.414 -12.065 16.816 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.658 -11.965 17.581 1.00 25.00 C ATOM 1555 C LYS A 92 -7.749 -11.218 16.813 1.00 25.00 C ATOM 1556 O LYS A 92 -8.631 -10.604 17.412 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.380 -11.306 18.940 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.528 -12.181 19.865 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.368 -13.296 20.507 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.557 -14.574 20.724 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.406 -15.358 19.447 1.00 25.00 N ATOM 0 H LYS A 92 -4.971 -11.167 16.619 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.035 -12.974 17.747 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.873 -10.355 18.780 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.328 -11.083 19.430 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.707 -12.621 19.299 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.082 -11.563 20.645 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.760 -12.949 21.463 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -7.226 -13.515 19.871 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.572 -14.319 21.114 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -6.046 -15.193 21.476 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.851 -16.218 19.631 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.346 -15.623 19.089 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.917 -14.775 18.738 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.749 -11.336 15.486 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.819 -10.729 14.667 1.00 25.00 C ATOM 1577 C LYS A 93 -10.152 -11.412 14.968 1.00 25.00 C ATOM 1578 O LYS A 93 -11.216 -10.876 14.709 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.505 -10.811 13.167 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.576 -12.218 12.566 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.113 -12.199 11.115 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.077 -13.601 10.508 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.452 -14.198 10.374 1.00 25.00 N ATOM 0 H LYS A 93 -7.037 -11.836 14.954 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.884 -9.673 14.929 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.202 -10.167 12.630 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.506 -10.410 12.998 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.952 -12.899 13.145 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.597 -12.594 12.624 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.781 -11.567 10.529 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.120 -11.753 11.057 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.604 -13.558 9.527 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.461 -14.249 11.131 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.382 -15.134 9.927 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.882 -14.295 11.316 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.044 -13.577 9.786 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.051 -12.600 15.546 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.195 -13.418 15.946 1.00 25.00 C ATOM 1599 C GLU A 94 -12.091 -12.730 16.982 1.00 25.00 C ATOM 1600 O GLU A 94 -13.296 -12.934 16.988 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.670 -14.747 16.523 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.434 -14.579 17.442 1.00 25.00 C ATOM 1603 CD GLU A 94 -8.910 -15.888 18.007 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.120 -16.946 17.386 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.200 -15.837 19.039 1.00 25.00 O ATOM 0 H GLU A 94 -9.153 -13.035 15.756 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.809 -13.584 15.061 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.469 -15.229 17.087 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.413 -15.414 15.700 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.638 -14.092 16.879 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.693 -13.915 18.267 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.502 -11.905 17.839 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.250 -11.213 18.895 1.00 25.00 C ATOM 1614 C VAL A 95 -12.194 -9.706 18.679 1.00 25.00 C ATOM 1615 O VAL A 95 -12.622 -8.920 19.520 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.695 -11.575 20.309 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.909 -13.069 20.599 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.192 -11.237 20.422 1.00 25.00 C ATOM 0 H VAL A 95 -10.504 -11.695 17.827 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.288 -11.542 18.844 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.240 -10.981 21.042 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.517 -13.307 21.588 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.974 -13.297 20.566 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.387 -13.664 19.849 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.834 -11.500 21.417 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.635 -11.802 19.675 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.045 -10.170 20.254 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.667 -9.306 17.533 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.532 -7.893 17.193 1.00 25.00 C ATOM 1630 C ASN A 96 -12.193 -7.619 15.839 1.00 25.00 C ATOM 1631 O ASN A 96 -11.521 -7.569 14.802 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.050 -7.504 17.174 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.842 -6.010 17.080 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.625 -5.291 16.470 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.793 -5.535 17.689 1.00 25.00 N ATOM 0 H ASN A 96 -11.322 -9.943 16.815 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.035 -7.286 17.946 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.569 -7.878 18.078 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.562 -7.989 16.329 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.601 -4.533 17.668 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.164 -6.165 18.187 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.523 -7.422 15.824 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.163 -7.195 14.522 1.00 25.00 C ATOM 1644 C PRO A 97 -13.807 -5.851 13.885 1.00 25.00 C ATOM 1645 O PRO A 97 -13.948 -5.678 12.676 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.655 -7.272 14.858 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.734 -6.810 16.266 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.515 -7.410 16.919 1.00 25.00 C ATOM 0 HA PRO A 97 -13.834 -7.921 13.779 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.246 -6.638 14.197 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.036 -8.288 14.750 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.725 -5.722 16.330 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.652 -7.150 16.746 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.175 -6.813 17.765 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.712 -8.414 17.296 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.313 -4.912 14.686 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.952 -3.592 14.184 1.00 25.00 C ATOM 1658 C GLN A 98 -11.806 -3.746 13.198 1.00 25.00 C ATOM 1659 O GLN A 98 -11.813 -3.164 12.111 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.524 -2.684 15.346 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.566 -1.197 15.029 1.00 25.00 C ATOM 1662 CD GLN A 98 -13.983 -0.666 14.977 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -14.556 -0.506 13.920 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -14.554 -0.403 16.125 1.00 25.00 N ATOM 0 H GLN A 98 -13.154 -5.041 15.685 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.811 -3.138 13.689 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -13.171 -2.879 16.201 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.511 -2.951 15.646 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.002 -0.650 15.784 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -12.076 -1.017 14.072 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -14.042 -0.550 16.995 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -15.511 -0.052 16.150 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.824 -4.555 13.572 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.684 -4.785 12.701 1.00 25.00 C ATOM 1675 C VAL A 99 -9.982 -5.889 11.691 1.00 25.00 C ATOM 1676 O VAL A 99 -9.418 -5.893 10.618 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.372 -5.071 13.499 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.257 -6.542 13.916 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.157 -4.663 12.667 1.00 25.00 C ATOM 0 H VAL A 99 -10.794 -5.056 14.460 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.511 -3.862 12.148 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.407 -4.477 14.412 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.329 -6.692 14.468 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.103 -6.808 14.550 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.257 -7.173 13.027 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.246 -4.865 13.230 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.144 -5.233 11.738 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.213 -3.599 12.438 1.00 25.00 H new ATOM 1689 N MET A 100 -10.895 -6.801 12.001 1.00 25.00 N ATOM 1690 CA MET A 100 -11.237 -7.881 11.068 1.00 25.00 C ATOM 1691 C MET A 100 -11.806 -7.303 9.769 1.00 25.00 C ATOM 1692 O MET A 100 -11.501 -7.782 8.677 1.00 25.00 O ATOM 1693 CB MET A 100 -12.235 -8.847 11.713 1.00 25.00 C ATOM 1694 CG MET A 100 -12.545 -10.077 10.875 1.00 25.00 C ATOM 1695 SD MET A 100 -14.031 -9.832 9.879 1.00 25.00 S ATOM 1696 CE MET A 100 -13.535 -10.538 8.302 1.00 25.00 C ATOM 0 H MET A 100 -11.411 -6.820 12.881 1.00 25.00 H new ATOM 0 HA MET A 100 -10.329 -8.435 10.828 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.841 -9.168 12.677 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.164 -8.313 11.911 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.700 -10.299 10.223 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.679 -10.940 11.527 1.00 25.00 H new ATOM 0 HE1 MET A 100 -14.357 -10.455 7.591 1.00 25.00 H new ATOM 0 HE2 MET A 100 -12.668 -10.000 7.919 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.278 -11.589 8.438 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.559 -6.220 9.875 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.065 -5.541 8.688 1.00 25.00 C ATOM 1708 C ALA A 101 -11.906 -4.968 7.846 1.00 25.00 C ATOM 1709 O ALA A 101 -11.980 -4.924 6.622 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.024 -4.431 9.105 1.00 25.00 C ATOM 0 H ALA A 101 -12.833 -5.794 10.760 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.600 -6.263 8.071 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.402 -3.924 8.217 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.858 -4.860 9.660 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.499 -3.714 9.736 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.829 -4.554 8.502 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.669 -4.006 7.810 1.00 25.00 C ATOM 1718 C ALA A 102 -8.841 -5.138 7.200 1.00 25.00 C ATOM 1719 O ALA A 102 -8.249 -4.970 6.153 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.818 -3.180 8.777 1.00 25.00 C ATOM 0 H ALA A 102 -10.735 -4.588 9.517 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.011 -3.353 7.007 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.955 -2.776 8.248 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.414 -2.360 9.177 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.478 -3.815 9.595 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.835 -6.297 7.841 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.147 -7.484 7.316 1.00 25.00 C ATOM 1728 C VAL A 103 -8.764 -7.821 5.965 1.00 25.00 C ATOM 1729 O VAL A 103 -8.055 -8.011 4.979 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.312 -8.691 8.305 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.831 -10.004 7.701 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.554 -8.411 9.621 1.00 25.00 C ATOM 0 H VAL A 103 -9.302 -6.449 8.735 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.081 -7.285 7.206 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.378 -8.794 8.509 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.966 -10.808 8.424 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.407 -10.224 6.802 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.775 -9.921 7.444 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.677 -9.256 10.298 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.495 -8.268 9.407 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.955 -7.511 10.087 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.089 -7.837 5.917 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.801 -8.133 4.681 1.00 25.00 C ATOM 1744 C ALA A 104 -10.573 -7.031 3.640 1.00 25.00 C ATOM 1745 O ALA A 104 -10.306 -7.312 2.480 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.291 -8.300 4.978 1.00 25.00 C ATOM 0 H ALA A 104 -10.692 -7.649 6.718 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.415 -9.063 4.265 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.824 -8.521 4.053 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.432 -9.119 5.683 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.681 -7.379 5.410 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.653 -5.776 4.059 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.432 -4.667 3.133 1.00 25.00 C ATOM 1754 C GLN A 105 -9.015 -4.671 2.565 1.00 25.00 C ATOM 1755 O GLN A 105 -8.824 -4.349 1.401 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.686 -3.322 3.813 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.151 -2.910 3.842 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.313 -1.428 4.104 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.908 -0.601 3.298 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -12.893 -1.085 5.222 1.00 25.00 N ATOM 0 H GLN A 105 -10.866 -5.500 5.018 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.139 -4.804 2.315 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.312 -3.367 4.836 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.113 -2.552 3.297 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.619 -3.164 2.891 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.672 -3.475 4.615 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.218 -1.803 5.869 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.022 -0.099 5.448 1.00 25.00 H new ATOM 1769 N THR A 106 -8.027 -5.042 3.370 1.00 25.00 N ATOM 1770 CA THR A 106 -6.642 -5.067 2.898 1.00 25.00 C ATOM 1771 C THR A 106 -6.537 -6.039 1.736 1.00 25.00 C ATOM 1772 O THR A 106 -5.942 -5.717 0.719 1.00 25.00 O ATOM 1773 CB THR A 106 -5.636 -5.522 3.985 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.793 -4.744 5.168 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.206 -5.343 3.517 1.00 25.00 C ATOM 0 H THR A 106 -8.153 -5.327 4.341 1.00 25.00 H new ATOM 0 HA THR A 106 -6.388 -4.047 2.610 1.00 25.00 H new ATOM 0 HB THR A 106 -5.838 -6.575 4.183 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.589 -5.044 5.654 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.523 -5.671 4.301 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.040 -5.938 2.619 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.025 -4.291 3.294 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.139 -7.214 1.870 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.103 -8.196 0.789 1.00 25.00 C ATOM 1785 C GLU A 107 -7.705 -7.650 -0.494 1.00 25.00 C ATOM 1786 O GLU A 107 -7.126 -7.806 -1.552 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.861 -9.465 1.158 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.163 -10.311 2.175 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.792 -11.687 2.331 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.662 -12.071 1.513 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.349 -12.421 3.246 1.00 25.00 O ATOM 0 H GLU A 107 -7.651 -7.509 2.701 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.049 -8.424 0.631 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.845 -9.191 1.540 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -8.022 -10.056 0.256 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.117 -10.425 1.890 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.177 -9.799 3.137 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.861 -7.012 -0.412 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.518 -6.504 -1.617 1.00 25.00 C ATOM 1800 C GLU A 108 -8.706 -5.395 -2.282 1.00 25.00 C ATOM 1801 O GLU A 108 -8.619 -5.322 -3.506 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.928 -6.009 -1.294 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.839 -7.111 -0.753 1.00 25.00 C ATOM 1804 CD GLU A 108 -11.830 -8.355 -1.635 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -12.128 -8.246 -2.840 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -11.462 -9.440 -1.129 1.00 25.00 O ATOM 0 H GLU A 108 -9.362 -6.833 0.458 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.587 -7.332 -2.323 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.866 -5.205 -0.561 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.374 -5.586 -2.194 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.521 -7.380 0.254 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -12.858 -6.731 -0.675 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.067 -4.555 -1.483 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.226 -3.492 -2.032 1.00 25.00 C ATOM 1815 C ILE A 109 -5.982 -4.124 -2.670 1.00 25.00 C ATOM 1816 O ILE A 109 -5.552 -3.695 -3.735 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.841 -2.445 -0.945 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.117 -1.743 -0.428 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.871 -1.379 -1.529 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.947 -1.023 0.912 1.00 25.00 C ATOM 0 H ILE A 109 -8.110 -4.583 -0.464 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.786 -2.951 -2.795 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.343 -2.963 -0.126 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.447 -1.021 -1.175 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.910 -2.485 -0.330 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.614 -0.657 -0.754 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.964 -1.868 -1.884 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.354 -0.864 -2.359 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.891 -0.559 1.198 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.649 -1.741 1.676 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.179 -0.255 0.818 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.441 -5.173 -2.064 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.297 -5.892 -2.642 1.00 25.00 C ATOM 1834 C LEU A 110 -4.678 -6.569 -3.954 1.00 25.00 C ATOM 1835 O LEU A 110 -3.903 -6.561 -4.896 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.777 -6.956 -1.668 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.569 -6.563 -0.802 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.693 -5.189 -0.134 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.361 -7.640 0.268 1.00 25.00 C ATOM 0 H LEU A 110 -5.770 -5.549 -1.175 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.515 -5.156 -2.833 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.594 -7.240 -1.005 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.510 -7.843 -2.243 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.712 -6.490 -1.471 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.799 -4.990 0.458 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.800 -4.421 -0.900 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.568 -5.178 0.516 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.507 -7.374 0.890 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.254 -7.713 0.889 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.175 -8.600 -0.213 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.880 -7.126 -4.019 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.367 -7.789 -5.236 1.00 25.00 C ATOM 1853 C LYS A 111 -6.561 -6.774 -6.363 1.00 25.00 C ATOM 1854 O LYS A 111 -6.434 -7.103 -7.535 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.663 -8.527 -4.943 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.417 -9.770 -4.096 1.00 25.00 C ATOM 1857 CD LYS A 111 -8.670 -10.174 -3.392 1.00 25.00 C ATOM 1858 CE LYS A 111 -8.377 -11.201 -2.297 1.00 25.00 C ATOM 1859 NZ LYS A 111 -9.563 -11.476 -1.406 1.00 25.00 N ATOM 0 H LYS A 111 -6.543 -7.135 -3.244 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.621 -8.514 -5.563 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.353 -7.862 -4.423 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.141 -8.812 -5.880 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.068 -10.586 -4.729 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.630 -9.572 -3.368 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -9.145 -9.296 -2.954 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -9.375 -10.593 -4.109 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -8.055 -12.134 -2.760 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -7.547 -10.845 -1.687 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -9.232 -11.699 -0.446 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -10.175 -10.636 -1.374 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -10.101 -12.282 -1.783 1.00 25.00 H new