USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 973 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 73 TYR OH : rot 180:sc= -0.105 USER MOD Set 1.2: A 119 ASN : amide:sc= -3.72! C(o=-3.8!,f=-9.8!) USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.018 USER MOD Set 2.2: A 48 GLN : amide:sc= 0 K(o=-0.018,f=-0.92) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.88! C(o=-7.8!,f=-4.9!) USER MOD Single : A 15 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.44) USER MOD Single : A 16 ASN : amide:sc= -2.93! C(o=-2.9!,f=-3.9!) USER MOD Single : A 21 THR OG1 : rot 3:sc= 0.985 USER MOD Single : A 31 ASN : amide:sc= -2.24 X(o=-2.2,f=-2.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= -0.492 (180deg=-1.62!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 63 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.4) USER MOD Single : A 64 HIS : no HE2:sc= -18.4! C(o=-18!,f=-24!) USER MOD Single : A 66 SER OG : rot 93:sc= -0.187 USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00583) USER MOD Single : A 79 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.6!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00619) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0806 USER MOD Single : A 111 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.8!) USER MOD Single : A 125 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0222) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.923 -5.383 -3.200 1.00 0.00 N ATOM 21 CA LYS A 2 -20.813 -4.668 -3.819 1.00 0.00 C ATOM 22 C LYS A 2 -19.480 -5.124 -3.236 1.00 0.00 C ATOM 23 O LYS A 2 -19.252 -5.026 -2.029 1.00 0.00 O ATOM 24 CB LYS A 2 -20.979 -3.159 -3.624 1.00 0.00 C ATOM 25 CG LYS A 2 -20.419 -2.332 -4.769 1.00 0.00 C ATOM 26 CD LYS A 2 -19.825 -1.024 -4.273 1.00 0.00 C ATOM 27 CE LYS A 2 -19.445 -0.110 -5.427 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.211 1.289 -4.975 1.00 0.00 N ATOM 0 HA LYS A 2 -20.818 -4.892 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.038 -2.931 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.485 -2.864 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.654 -2.905 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.210 -2.124 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.544 -0.518 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.944 -1.231 -3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -18.545 -0.491 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.238 -0.122 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.954 1.879 -5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -20.077 1.662 -4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.437 1.304 -4.280 1.00 0.00 H new ATOM 42 N LYS A 3 -18.601 -5.622 -4.099 1.00 0.00 N ATOM 43 CA LYS A 3 -17.289 -6.094 -3.671 1.00 0.00 C ATOM 44 C LYS A 3 -16.184 -5.466 -4.512 1.00 0.00 C ATOM 45 O LYS A 3 -16.285 -5.398 -5.737 1.00 0.00 O ATOM 46 CB LYS A 3 -17.217 -7.620 -3.767 1.00 0.00 C ATOM 47 CG LYS A 3 -17.417 -8.150 -5.178 1.00 0.00 C ATOM 48 CD LYS A 3 -17.338 -9.667 -5.218 1.00 0.00 C ATOM 49 CE LYS A 3 -15.969 -10.142 -5.677 1.00 0.00 C ATOM 50 NZ LYS A 3 -15.564 -11.406 -5.002 1.00 0.00 N ATOM 0 H LYS A 3 -18.774 -5.709 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.143 -5.795 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.248 -7.954 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.975 -8.053 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.386 -7.825 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.659 -7.727 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.551 -10.070 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.103 -10.055 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.981 -10.295 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.229 -9.368 -5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.625 -11.696 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.528 -11.254 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.256 -12.152 -5.218 1.00 0.00 H new ATOM 64 N LEU A 4 -15.131 -5.004 -3.846 1.00 0.00 N ATOM 65 CA LEU A 4 -14.007 -4.379 -4.532 1.00 0.00 C ATOM 66 C LEU A 4 -12.680 -4.821 -3.921 1.00 0.00 C ATOM 67 O LEU A 4 -12.574 -5.009 -2.710 1.00 0.00 O ATOM 68 CB LEU A 4 -14.128 -2.855 -4.473 1.00 0.00 C ATOM 69 CG LEU A 4 -14.672 -2.295 -3.156 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.561 -2.185 -2.125 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.328 -0.942 -3.385 1.00 0.00 C ATOM 0 H LEU A 4 -15.033 -5.051 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.029 -4.697 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.145 -2.421 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.777 -2.526 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.427 -2.982 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.966 -1.785 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.136 -3.172 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.783 -1.519 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.709 -0.558 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.594 -0.246 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.152 -1.052 -4.091 1.00 0.00 H new ATOM 83 N GLN A 5 -11.673 -4.999 -4.772 1.00 0.00 N ATOM 84 CA GLN A 5 -10.358 -5.432 -4.321 1.00 0.00 C ATOM 85 C GLN A 5 -9.366 -4.280 -4.266 1.00 0.00 C ATOM 86 O GLN A 5 -9.482 -3.299 -5.002 1.00 0.00 O ATOM 87 CB GLN A 5 -9.813 -6.515 -5.244 1.00 0.00 C ATOM 88 CG GLN A 5 -10.769 -7.675 -5.418 1.00 0.00 C ATOM 89 CD GLN A 5 -10.088 -8.926 -5.938 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.549 -9.720 -5.166 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.109 -9.108 -7.253 1.00 0.00 N ATOM 0 H GLN A 5 -11.745 -4.849 -5.778 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.480 -5.827 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.597 -6.079 -6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.869 -6.885 -4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.243 -7.896 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.562 -7.386 -6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.567 -8.424 -7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.667 -9.932 -7.661 1.00 0.00 H new ATOM 100 N ILE A 6 -8.383 -4.426 -3.390 1.00 0.00 N ATOM 101 CA ILE A 6 -7.342 -3.435 -3.211 1.00 0.00 C ATOM 102 C ILE A 6 -6.029 -4.125 -2.862 1.00 0.00 C ATOM 103 O ILE A 6 -5.975 -4.935 -1.936 1.00 0.00 O ATOM 104 CB ILE A 6 -7.709 -2.440 -2.096 1.00 0.00 C ATOM 105 CG1 ILE A 6 -9.075 -1.810 -2.375 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.641 -1.370 -1.971 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.230 -2.589 -1.782 1.00 0.00 C ATOM 0 H ILE A 6 -8.288 -5.240 -2.783 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.234 -2.883 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.766 -2.980 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.087 -0.796 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.216 -1.730 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.915 -0.674 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.685 -1.836 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.554 -0.830 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.168 -2.086 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.243 -3.595 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.112 -2.647 -0.700 1.00 0.00 H new ATOM 119 N ALA A 7 -4.970 -3.806 -3.598 1.00 0.00 N ATOM 120 CA ALA A 7 -3.669 -4.412 -3.342 1.00 0.00 C ATOM 121 C ALA A 7 -2.629 -3.337 -3.112 1.00 0.00 C ATOM 122 O ALA A 7 -2.452 -2.467 -3.950 1.00 0.00 O ATOM 123 CB ALA A 7 -3.259 -5.300 -4.507 1.00 0.00 C ATOM 0 H ALA A 7 -4.986 -3.138 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.742 -5.028 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.286 -5.745 -4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.998 -6.090 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.199 -4.702 -5.417 1.00 0.00 H new ATOM 129 N VAL A 8 -1.944 -3.399 -1.979 1.00 0.00 N ATOM 130 CA VAL A 8 -0.929 -2.403 -1.658 1.00 0.00 C ATOM 131 C VAL A 8 0.459 -3.019 -1.556 1.00 0.00 C ATOM 132 O VAL A 8 0.612 -4.230 -1.400 1.00 0.00 O ATOM 133 CB VAL A 8 -1.266 -1.638 -0.349 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.665 -1.981 0.143 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.235 -1.913 0.741 1.00 0.00 C ATOM 0 H VAL A 8 -2.070 -4.122 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.928 -1.691 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.235 -0.573 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.873 -1.431 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.396 -1.707 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.729 -3.051 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.503 -1.362 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.214 -2.980 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.750 -1.594 0.399 1.00 0.00 H new ATOM 145 N GLY A 9 1.466 -2.159 -1.635 1.00 0.00 N ATOM 146 CA GLY A 9 2.838 -2.603 -1.543 1.00 0.00 C ATOM 147 C GLY A 9 3.702 -1.611 -0.795 1.00 0.00 C ATOM 148 O GLY A 9 3.989 -0.524 -1.296 1.00 0.00 O ATOM 0 H GLY A 9 1.352 -1.153 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.874 -3.569 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.240 -2.751 -2.545 1.00 0.00 H new ATOM 152 N ILE A 10 4.119 -1.985 0.405 1.00 0.00 N ATOM 153 CA ILE A 10 4.960 -1.123 1.227 1.00 0.00 C ATOM 154 C ILE A 10 6.357 -1.031 0.623 1.00 0.00 C ATOM 155 O ILE A 10 7.179 -1.925 0.807 1.00 0.00 O ATOM 156 CB ILE A 10 5.051 -1.661 2.672 1.00 0.00 C ATOM 157 CG1 ILE A 10 5.883 -0.725 3.544 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.637 -3.065 2.686 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.127 -0.191 4.742 1.00 0.00 C ATOM 0 H ILE A 10 3.889 -2.882 0.834 1.00 0.00 H new ATOM 0 HA ILE A 10 4.510 -0.130 1.254 1.00 0.00 H new ATOM 0 HB ILE A 10 4.042 -1.706 3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.770 -1.255 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.228 0.113 2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.693 -3.426 3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.001 -3.730 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.637 -3.046 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.777 0.467 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.254 0.367 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.805 -1.022 5.369 1.00 0.00 H new ATOM 171 N ILE A 11 6.609 0.043 -0.125 1.00 0.00 N ATOM 172 CA ILE A 11 7.900 0.225 -0.786 1.00 0.00 C ATOM 173 C ILE A 11 9.012 0.542 0.205 1.00 0.00 C ATOM 174 O ILE A 11 8.931 1.504 0.968 1.00 0.00 O ATOM 175 CB ILE A 11 7.861 1.336 -1.857 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.473 1.431 -2.502 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.923 1.068 -2.915 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.465 2.183 -3.818 1.00 0.00 C ATOM 0 H ILE A 11 5.940 0.796 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 11 8.111 -0.728 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 11 8.070 2.291 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.088 0.424 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.792 1.923 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.892 1.855 -3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.907 1.053 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.731 0.105 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.450 2.210 -4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.819 3.201 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.120 1.679 -4.529 1.00 0.00 H new ATOM 190 N ARG A 12 10.056 -0.282 0.175 1.00 0.00 N ATOM 191 CA ARG A 12 11.204 -0.111 1.057 1.00 0.00 C ATOM 192 C ARG A 12 12.325 0.649 0.366 1.00 0.00 C ATOM 193 O ARG A 12 12.760 0.280 -0.730 1.00 0.00 O ATOM 194 CB ARG A 12 11.720 -1.469 1.529 1.00 0.00 C ATOM 195 CG ARG A 12 11.276 -1.826 2.936 1.00 0.00 C ATOM 196 CD ARG A 12 12.459 -1.955 3.883 1.00 0.00 C ATOM 197 NE ARG A 12 13.421 -2.953 3.424 1.00 0.00 N ATOM 198 CZ ARG A 12 13.237 -4.267 3.538 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.132 -4.745 4.096 1.00 0.00 N ATOM 200 NH2 ARG A 12 14.164 -5.107 3.093 1.00 0.00 N ATOM 0 H ARG A 12 10.129 -1.080 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 12 10.874 0.470 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.375 -2.240 0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.809 -1.470 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.594 -1.061 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.722 -2.764 2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.955 -0.989 3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.101 -2.227 4.876 1.00 0.00 H new ATOM 0 HE ARG A 12 14.284 -2.625 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.417 -4.105 4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.998 -5.753 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.016 -4.746 2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.024 -6.114 3.180 1.00 0.00 H new ATOM 214 N ASN A 13 12.783 1.710 1.026 1.00 0.00 N ATOM 215 CA ASN A 13 13.858 2.551 0.505 1.00 0.00 C ATOM 216 C ASN A 13 15.229 1.933 0.731 1.00 0.00 C ATOM 217 O ASN A 13 15.360 0.785 1.157 1.00 0.00 O ATOM 218 CB ASN A 13 13.827 3.935 1.140 1.00 0.00 C ATOM 219 CG ASN A 13 14.507 5.011 0.306 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.410 4.905 -1.015 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 15.115 5.932 0.850 1.00 0.00 N flip ATOM 0 H ASN A 13 12.422 2.010 1.932 1.00 0.00 H new ATOM 0 HA ASN A 13 13.689 2.636 -0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.790 4.223 1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.309 3.887 2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.167 5.978 1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.567 6.649 0.283 1.00 0.00 H new ATOM 228 N GLU A 14 16.240 2.724 0.416 1.00 0.00 N ATOM 229 CA GLU A 14 17.635 2.321 0.540 1.00 0.00 C ATOM 230 C GLU A 14 18.149 2.440 1.979 1.00 0.00 C ATOM 231 O GLU A 14 19.298 2.098 2.259 1.00 0.00 O ATOM 232 CB GLU A 14 18.484 3.196 -0.385 1.00 0.00 C ATOM 233 CG GLU A 14 19.984 3.004 -0.222 1.00 0.00 C ATOM 234 CD GLU A 14 20.398 1.547 -0.300 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.116 0.905 -1.334 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.001 1.048 0.673 1.00 0.00 O ATOM 0 H GLU A 14 16.117 3.673 0.064 1.00 0.00 H new ATOM 0 HA GLU A 14 17.711 1.271 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.212 2.983 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.241 4.242 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.505 3.568 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.297 3.416 0.737 1.00 0.00 H new ATOM 243 N ASN A 15 17.311 2.930 2.885 1.00 0.00 N ATOM 244 CA ASN A 15 17.716 3.090 4.279 1.00 0.00 C ATOM 245 C ASN A 15 16.643 2.569 5.229 1.00 0.00 C ATOM 246 O ASN A 15 16.244 3.256 6.169 1.00 0.00 O ATOM 247 CB ASN A 15 18.010 4.563 4.578 1.00 0.00 C ATOM 248 CG ASN A 15 18.574 4.769 5.970 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.065 5.577 6.746 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.635 4.036 6.292 1.00 0.00 N ATOM 0 H ASN A 15 16.355 3.222 2.683 1.00 0.00 H new ATOM 0 HA ASN A 15 18.622 2.504 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.717 4.946 3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.093 5.143 4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.060 4.131 7.214 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.024 3.378 5.617 1.00 0.00 H new ATOM 257 N ASN A 16 16.176 1.351 4.969 1.00 0.00 N ATOM 258 CA ASN A 16 15.143 0.722 5.792 1.00 0.00 C ATOM 259 C ASN A 16 13.972 1.673 6.043 1.00 0.00 C ATOM 260 O ASN A 16 13.213 1.500 6.996 1.00 0.00 O ATOM 261 CB ASN A 16 15.732 0.238 7.122 1.00 0.00 C ATOM 262 CG ASN A 16 16.092 1.375 8.059 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.214 1.883 8.035 1.00 0.00 O ATOM 264 ND2 ASN A 16 15.140 1.781 8.890 1.00 0.00 N ATOM 0 H ASN A 16 16.498 0.776 4.191 1.00 0.00 H new ATOM 0 HA ASN A 16 14.763 -0.140 5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.014 -0.417 7.614 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.623 -0.358 6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.324 2.543 9.543 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.225 1.331 8.876 1.00 0.00 H new ATOM 271 N GLU A 17 13.819 2.660 5.167 1.00 0.00 N ATOM 272 CA GLU A 17 12.730 3.619 5.272 1.00 0.00 C ATOM 273 C GLU A 17 11.753 3.380 4.133 1.00 0.00 C ATOM 274 O GLU A 17 12.161 3.058 3.025 1.00 0.00 O ATOM 275 CB GLU A 17 13.258 5.056 5.238 1.00 0.00 C ATOM 276 CG GLU A 17 14.142 5.356 4.039 1.00 0.00 C ATOM 277 CD GLU A 17 14.829 6.704 4.143 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.082 7.155 5.280 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.115 7.307 3.088 1.00 0.00 O ATOM 0 H GLU A 17 14.440 2.816 4.373 1.00 0.00 H new ATOM 0 HA GLU A 17 12.221 3.481 6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.413 5.744 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.822 5.248 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.896 4.575 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.539 5.329 3.132 1.00 0.00 H new ATOM 286 N ILE A 18 10.468 3.498 4.411 1.00 0.00 N ATOM 287 CA ILE A 18 9.457 3.248 3.397 1.00 0.00 C ATOM 288 C ILE A 18 8.734 4.524 2.973 1.00 0.00 C ATOM 289 O ILE A 18 8.585 5.464 3.754 1.00 0.00 O ATOM 290 CB ILE A 18 8.437 2.209 3.914 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.956 0.794 3.663 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.060 2.397 3.283 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.725 -0.147 4.824 1.00 0.00 C ATOM 0 H ILE A 18 10.100 3.764 5.324 1.00 0.00 H new ATOM 0 HA ILE A 18 9.968 2.857 2.517 1.00 0.00 H new ATOM 0 HB ILE A 18 8.322 2.362 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.470 0.389 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.024 0.840 3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.375 1.646 3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.683 3.392 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.138 2.288 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.118 -1.133 4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.234 0.235 5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.656 -0.222 5.024 1.00 0.00 H new ATOM 305 N PHE A 19 8.269 4.524 1.728 1.00 0.00 N ATOM 306 CA PHE A 19 7.535 5.650 1.174 1.00 0.00 C ATOM 307 C PHE A 19 6.037 5.343 1.194 1.00 0.00 C ATOM 308 O PHE A 19 5.525 4.623 0.338 1.00 0.00 O ATOM 309 CB PHE A 19 8.034 5.946 -0.255 1.00 0.00 C ATOM 310 CG PHE A 19 6.954 6.244 -1.262 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.443 7.525 -1.395 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.458 5.241 -2.081 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.458 7.800 -2.325 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.473 5.511 -3.011 1.00 0.00 C ATOM 315 CZ PHE A 19 4.972 6.791 -3.133 1.00 0.00 C ATOM 0 H PHE A 19 8.391 3.746 1.079 1.00 0.00 H new ATOM 0 HA PHE A 19 7.707 6.540 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.716 6.795 -0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.610 5.090 -0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.819 8.318 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.846 4.237 -1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.069 8.803 -2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.095 4.721 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.201 7.003 -3.859 1.00 0.00 H new ATOM 325 N ILE A 20 5.342 5.883 2.189 1.00 0.00 N ATOM 326 CA ILE A 20 3.907 5.658 2.326 1.00 0.00 C ATOM 327 C ILE A 20 3.127 6.897 1.898 1.00 0.00 C ATOM 328 O ILE A 20 3.296 7.975 2.468 1.00 0.00 O ATOM 329 CB ILE A 20 3.508 5.288 3.778 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.715 5.356 4.720 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.884 3.902 3.817 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.384 5.004 6.154 1.00 0.00 C ATOM 0 H ILE A 20 5.747 6.478 2.911 1.00 0.00 H new ATOM 0 HA ILE A 20 3.659 4.818 1.677 1.00 0.00 H new ATOM 0 HB ILE A 20 2.773 6.016 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.487 4.678 4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.134 6.362 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.609 3.656 4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.994 3.886 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.602 3.169 3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.285 5.073 6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.634 5.697 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.994 3.987 6.198 1.00 0.00 H new ATOM 344 N THR A 21 2.277 6.739 0.890 1.00 0.00 N ATOM 345 CA THR A 21 1.478 7.850 0.387 1.00 0.00 C ATOM 346 C THR A 21 0.392 8.238 1.385 1.00 0.00 C ATOM 347 O THR A 21 -0.553 7.484 1.613 1.00 0.00 O ATOM 348 CB THR A 21 0.845 7.479 -0.952 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.229 6.574 -0.766 1.00 0.00 O ATOM 350 CG2 THR A 21 1.820 6.843 -1.919 1.00 0.00 C ATOM 0 H THR A 21 2.124 5.854 0.406 1.00 0.00 H new ATOM 0 HA THR A 21 2.138 8.706 0.247 1.00 0.00 H new ATOM 0 HB THR A 21 0.498 8.420 -1.378 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.359 6.413 0.192 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.306 6.604 -2.850 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.635 7.537 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.222 5.929 -1.482 1.00 0.00 H new ATOM 358 N ARG A 22 0.526 9.420 1.973 1.00 0.00 N ATOM 359 CA ARG A 22 -0.448 9.899 2.942 1.00 0.00 C ATOM 360 C ARG A 22 -1.429 10.857 2.281 1.00 0.00 C ATOM 361 O ARG A 22 -1.245 11.247 1.128 1.00 0.00 O ATOM 362 CB ARG A 22 0.261 10.594 4.106 1.00 0.00 C ATOM 363 CG ARG A 22 0.930 11.904 3.723 1.00 0.00 C ATOM 364 CD ARG A 22 2.026 12.281 4.708 1.00 0.00 C ATOM 365 NE ARG A 22 1.618 13.372 5.590 1.00 0.00 N ATOM 366 CZ ARG A 22 2.453 14.031 6.390 1.00 0.00 C ATOM 367 NH1 ARG A 22 3.741 13.713 6.421 1.00 0.00 N ATOM 368 NH2 ARG A 22 1.999 15.010 7.160 1.00 0.00 N ATOM 0 H ARG A 22 1.298 10.062 1.796 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.002 9.043 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.463 10.785 4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.012 9.919 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.353 11.818 2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.184 12.698 3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.290 11.410 5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.921 12.574 4.160 1.00 0.00 H new ATOM 0 HE ARG A 22 0.635 13.645 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.095 12.961 5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.377 14.221 7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.010 15.258 7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.639 15.515 7.773 1.00 0.00 H new ATOM 493 N ASN A 31 -5.398 11.798 8.708 1.00 0.00 N ATOM 494 CA ASN A 31 -5.318 10.589 9.521 1.00 0.00 C ATOM 495 C ASN A 31 -5.636 9.340 8.699 1.00 0.00 C ATOM 496 O ASN A 31 -5.981 8.297 9.253 1.00 0.00 O ATOM 497 CB ASN A 31 -6.280 10.693 10.708 1.00 0.00 C ATOM 498 CG ASN A 31 -5.555 10.836 12.033 1.00 0.00 C ATOM 499 OD1 ASN A 31 -5.957 10.252 13.039 1.00 0.00 O ATOM 500 ND2 ASN A 31 -4.482 11.618 12.040 1.00 0.00 N ATOM 0 HA ASN A 31 -4.296 10.498 9.888 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.939 11.549 10.564 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.913 9.806 10.738 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.955 11.754 12.903 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.184 12.083 11.182 1.00 0.00 H new ATOM 507 N LYS A 32 -5.517 9.447 7.378 1.00 0.00 N ATOM 508 CA LYS A 32 -5.792 8.319 6.493 1.00 0.00 C ATOM 509 C LYS A 32 -4.534 7.854 5.775 1.00 0.00 C ATOM 510 O LYS A 32 -4.600 7.284 4.686 1.00 0.00 O ATOM 511 CB LYS A 32 -6.879 8.677 5.479 1.00 0.00 C ATOM 512 CG LYS A 32 -8.184 7.931 5.700 1.00 0.00 C ATOM 513 CD LYS A 32 -8.726 7.354 4.403 1.00 0.00 C ATOM 514 CE LYS A 32 -9.689 8.315 3.724 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.644 8.194 2.241 1.00 0.00 N ATOM 0 H LYS A 32 -5.233 10.301 6.898 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.149 7.497 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.070 9.749 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.513 8.463 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.027 7.127 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.921 8.607 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.899 7.130 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.234 6.412 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.703 8.119 4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.444 9.337 4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.315 8.866 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.683 8.406 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.902 7.226 1.964 1.00 0.00 H new ATOM 529 N LEU A 33 -3.392 8.102 6.395 1.00 0.00 N ATOM 530 CA LEU A 33 -2.105 7.713 5.833 1.00 0.00 C ATOM 531 C LEU A 33 -2.148 6.268 5.333 1.00 0.00 C ATOM 532 O LEU A 33 -2.417 5.347 6.101 1.00 0.00 O ATOM 533 CB LEU A 33 -1.017 7.871 6.898 1.00 0.00 C ATOM 534 CG LEU A 33 0.413 8.063 6.378 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.420 7.636 7.434 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.638 7.287 5.087 1.00 0.00 C ATOM 0 H LEU A 33 -3.328 8.575 7.296 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.880 8.359 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.272 8.726 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.034 6.989 7.539 1.00 0.00 H new ATOM 0 HG LEU A 33 0.555 9.122 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.431 7.778 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.284 8.239 8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.268 6.584 7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.660 7.442 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.474 6.225 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.059 7.638 4.326 1.00 0.00 H new ATOM 548 N GLU A 34 -1.898 6.077 4.041 1.00 0.00 N ATOM 549 CA GLU A 34 -1.928 4.739 3.455 1.00 0.00 C ATOM 550 C GLU A 34 -0.760 4.522 2.499 1.00 0.00 C ATOM 551 O GLU A 34 0.127 5.365 2.380 1.00 0.00 O ATOM 552 CB GLU A 34 -3.253 4.517 2.724 1.00 0.00 C ATOM 553 CG GLU A 34 -4.342 3.928 3.606 1.00 0.00 C ATOM 554 CD GLU A 34 -5.732 4.150 3.043 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.049 3.554 1.993 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.503 4.919 3.653 1.00 0.00 O ATOM 0 H GLU A 34 -1.674 6.824 3.384 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.836 4.016 4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.599 5.468 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.084 3.853 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.169 2.858 3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.281 4.373 4.599 1.00 0.00 H new ATOM 563 N PHE A 35 -0.766 3.377 1.821 1.00 0.00 N ATOM 564 CA PHE A 35 0.294 3.044 0.873 1.00 0.00 C ATOM 565 C PHE A 35 -0.267 2.837 -0.535 1.00 0.00 C ATOM 566 O PHE A 35 -1.459 2.588 -0.711 1.00 0.00 O ATOM 567 CB PHE A 35 1.062 1.784 1.312 1.00 0.00 C ATOM 568 CG PHE A 35 0.610 1.191 2.620 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.677 0.701 2.770 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.480 1.116 3.697 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.089 0.150 3.968 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.073 0.566 4.897 1.00 0.00 C ATOM 573 CZ PHE A 35 -0.213 0.082 5.033 1.00 0.00 C ATOM 0 H PHE A 35 -1.491 2.665 1.910 1.00 0.00 H new ATOM 0 HA PHE A 35 0.984 3.888 0.857 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.965 1.027 0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.121 2.030 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.367 0.750 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.487 1.492 3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.096 -0.227 4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.760 0.515 5.728 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.533 -0.349 5.970 1.00 0.00 H new ATOM 583 N PRO A 36 0.606 2.913 -1.554 1.00 0.00 N ATOM 584 CA PRO A 36 0.228 2.709 -2.959 1.00 0.00 C ATOM 585 C PRO A 36 -0.473 1.371 -3.166 1.00 0.00 C ATOM 586 O PRO A 36 -0.467 0.521 -2.277 1.00 0.00 O ATOM 587 CB PRO A 36 1.565 2.736 -3.715 1.00 0.00 C ATOM 588 CG PRO A 36 2.615 2.572 -2.669 1.00 0.00 C ATOM 589 CD PRO A 36 2.047 3.176 -1.418 1.00 0.00 C ATOM 0 HA PRO A 36 -0.474 3.468 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.616 1.934 -4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.692 3.674 -4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.857 1.520 -2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.538 3.073 -2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.460 2.713 -0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.259 4.243 -1.352 1.00 0.00 H new ATOM 597 N GLY A 37 -1.081 1.184 -4.335 1.00 0.00 N ATOM 598 CA GLY A 37 -1.773 -0.062 -4.603 1.00 0.00 C ATOM 599 C GLY A 37 -3.278 0.038 -4.482 1.00 0.00 C ATOM 600 O GLY A 37 -3.912 -0.657 -3.688 1.00 0.00 O ATOM 0 H GLY A 37 -1.106 1.866 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.520 -0.398 -5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.412 -0.824 -3.912 1.00 0.00 H new ATOM 604 N GLY A 38 -3.830 0.909 -5.292 1.00 0.00 N ATOM 605 CA GLY A 38 -5.261 1.131 -5.327 1.00 0.00 C ATOM 606 C GLY A 38 -5.825 0.954 -6.727 1.00 0.00 C ATOM 607 O GLY A 38 -5.276 1.500 -7.685 1.00 0.00 O ATOM 0 H GLY A 38 -3.302 1.486 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.753 0.437 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.482 2.137 -4.971 1.00 0.00 H new ATOM 611 N LYS A 39 -6.921 0.193 -6.842 1.00 0.00 N ATOM 612 CA LYS A 39 -7.584 -0.063 -8.127 1.00 0.00 C ATOM 613 C LYS A 39 -7.092 -1.351 -8.787 1.00 0.00 C ATOM 614 O LYS A 39 -7.483 -1.656 -9.914 1.00 0.00 O ATOM 615 CB LYS A 39 -7.410 1.106 -9.100 1.00 0.00 C ATOM 616 CG LYS A 39 -8.229 0.954 -10.369 1.00 0.00 C ATOM 617 CD LYS A 39 -9.044 2.203 -10.666 1.00 0.00 C ATOM 618 CE LYS A 39 -10.055 2.486 -9.566 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.611 3.590 -8.670 1.00 0.00 N ATOM 0 H LYS A 39 -7.372 -0.262 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.643 -0.177 -7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.695 2.032 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.356 1.197 -9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.565 0.745 -11.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.897 0.098 -10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.376 3.057 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.564 2.082 -11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.014 2.746 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.212 1.582 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.595 3.253 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.657 3.899 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.271 4.390 -8.751 1.00 0.00 H new ATOM 633 N ILE A 40 -6.252 -2.116 -8.093 1.00 0.00 N ATOM 634 CA ILE A 40 -5.751 -3.372 -8.652 1.00 0.00 C ATOM 635 C ILE A 40 -6.909 -4.246 -9.105 1.00 0.00 C ATOM 636 O ILE A 40 -6.783 -5.061 -10.019 1.00 0.00 O ATOM 637 CB ILE A 40 -4.873 -4.155 -7.650 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.732 -4.958 -6.657 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.950 -3.195 -6.918 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.279 -6.392 -6.487 1.00 0.00 C ATOM 0 H ILE A 40 -5.908 -1.895 -7.159 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.126 -3.112 -9.506 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.270 -4.872 -8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.711 -4.462 -5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.768 -4.951 -6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.333 -3.751 -6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.309 -2.686 -7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.545 -2.459 -6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.930 -6.897 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.327 -6.905 -7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.254 -6.408 -6.118 1.00 0.00 H new ATOM 652 N GLU A 41 -8.036 -4.054 -8.439 1.00 0.00 N ATOM 653 CA GLU A 41 -9.252 -4.797 -8.726 1.00 0.00 C ATOM 654 C GLU A 41 -9.511 -4.851 -10.225 1.00 0.00 C ATOM 655 O GLU A 41 -9.300 -5.886 -10.855 1.00 0.00 O ATOM 656 CB GLU A 41 -10.440 -4.163 -7.997 1.00 0.00 C ATOM 657 CG GLU A 41 -10.393 -2.638 -7.930 1.00 0.00 C ATOM 658 CD GLU A 41 -11.607 -1.986 -8.562 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.221 -2.610 -9.454 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.945 -0.850 -8.166 1.00 0.00 O ATOM 0 H GLU A 41 -8.133 -3.377 -7.682 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.126 -5.819 -8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.361 -4.465 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.482 -4.559 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.320 -2.326 -6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.493 -2.284 -8.433 1.00 0.00 H new ATOM 667 N MET A 42 -9.957 -3.726 -10.785 1.00 0.00 N ATOM 668 CA MET A 42 -10.242 -3.615 -12.220 1.00 0.00 C ATOM 669 C MET A 42 -10.728 -4.942 -12.808 1.00 0.00 C ATOM 670 O MET A 42 -11.931 -5.196 -12.882 1.00 0.00 O ATOM 671 CB MET A 42 -8.995 -3.134 -12.969 1.00 0.00 C ATOM 672 CG MET A 42 -8.700 -1.657 -12.771 1.00 0.00 C ATOM 673 SD MET A 42 -9.832 -0.593 -13.686 1.00 0.00 S ATOM 674 CE MET A 42 -8.759 -0.001 -14.992 1.00 0.00 C ATOM 0 H MET A 42 -10.131 -2.868 -10.261 1.00 0.00 H new ATOM 0 HA MET A 42 -11.043 -2.886 -12.342 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.135 -3.716 -12.637 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.122 -3.331 -14.033 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.761 -1.418 -11.709 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.678 -1.449 -13.086 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.316 0.671 -15.644 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.915 0.534 -14.555 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.391 -0.847 -15.572 1.00 0.00 H new ATOM 684 N GLY A 43 -9.784 -5.784 -13.222 1.00 0.00 N ATOM 685 CA GLY A 43 -10.132 -7.069 -13.792 1.00 0.00 C ATOM 686 C GLY A 43 -8.991 -8.061 -13.730 1.00 0.00 C ATOM 687 O GLY A 43 -8.929 -8.998 -14.526 1.00 0.00 O ATOM 0 H GLY A 43 -8.783 -5.596 -13.171 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.992 -7.477 -13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.434 -6.932 -14.830 1.00 0.00 H new ATOM 691 N GLU A 44 -8.086 -7.851 -12.787 1.00 0.00 N ATOM 692 CA GLU A 44 -6.934 -8.733 -12.628 1.00 0.00 C ATOM 693 C GLU A 44 -7.131 -9.685 -11.453 1.00 0.00 C ATOM 694 O GLU A 44 -8.159 -9.651 -10.778 1.00 0.00 O ATOM 695 CB GLU A 44 -5.661 -7.910 -12.425 1.00 0.00 C ATOM 696 CG GLU A 44 -4.977 -7.519 -13.724 1.00 0.00 C ATOM 697 CD GLU A 44 -5.556 -6.256 -14.332 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.796 -6.172 -14.456 1.00 0.00 O ATOM 699 OE2 GLU A 44 -4.770 -5.351 -14.683 1.00 0.00 O ATOM 0 H GLU A 44 -8.124 -7.080 -12.120 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.835 -9.326 -13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.907 -7.006 -11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.962 -8.481 -11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.912 -7.374 -13.540 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.069 -8.337 -14.439 1.00 0.00 H new ATOM 706 N THR A 45 -6.132 -10.530 -11.211 1.00 0.00 N ATOM 707 CA THR A 45 -6.188 -11.486 -10.116 1.00 0.00 C ATOM 708 C THR A 45 -5.205 -11.083 -9.024 1.00 0.00 C ATOM 709 O THR A 45 -4.253 -10.355 -9.284 1.00 0.00 O ATOM 710 CB THR A 45 -5.862 -12.895 -10.625 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.683 -12.895 -12.031 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.935 -13.913 -10.303 1.00 0.00 C ATOM 0 H THR A 45 -5.274 -10.570 -11.761 1.00 0.00 H new ATOM 0 HA THR A 45 -7.196 -11.489 -9.702 1.00 0.00 H new ATOM 0 HB THR A 45 -4.945 -13.179 -10.109 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.474 -13.803 -12.334 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.640 -14.888 -10.692 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.063 -13.977 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.875 -13.608 -10.763 1.00 0.00 H new ATOM 720 N PRO A 46 -5.408 -11.554 -7.785 1.00 0.00 N ATOM 721 CA PRO A 46 -4.524 -11.237 -6.664 1.00 0.00 C ATOM 722 C PRO A 46 -3.045 -11.328 -7.042 1.00 0.00 C ATOM 723 O PRO A 46 -2.197 -10.696 -6.413 1.00 0.00 O ATOM 724 CB PRO A 46 -4.882 -12.297 -5.607 1.00 0.00 C ATOM 725 CG PRO A 46 -5.850 -13.226 -6.269 1.00 0.00 C ATOM 726 CD PRO A 46 -6.499 -12.435 -7.363 1.00 0.00 C ATOM 0 HA PRO A 46 -4.662 -10.213 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.993 -12.832 -5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.325 -11.835 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.339 -14.101 -6.671 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.592 -13.589 -5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.848 -13.072 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.362 -11.874 -7.005 1.00 0.00 H new ATOM 734 N GLU A 47 -2.742 -12.123 -8.064 1.00 0.00 N ATOM 735 CA GLU A 47 -1.366 -12.302 -8.515 1.00 0.00 C ATOM 736 C GLU A 47 -0.934 -11.212 -9.500 1.00 0.00 C ATOM 737 O GLU A 47 0.017 -10.476 -9.237 1.00 0.00 O ATOM 738 CB GLU A 47 -1.201 -13.679 -9.163 1.00 0.00 C ATOM 739 CG GLU A 47 0.025 -14.436 -8.679 1.00 0.00 C ATOM 740 CD GLU A 47 -0.325 -15.569 -7.733 1.00 0.00 C ATOM 741 OE1 GLU A 47 -1.123 -16.445 -8.126 1.00 0.00 O ATOM 742 OE2 GLU A 47 0.202 -15.580 -6.600 1.00 0.00 O ATOM 0 H GLU A 47 -3.432 -12.654 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.725 -12.227 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.090 -14.276 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.139 -13.557 -10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.562 -14.838 -9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.700 -13.743 -8.176 1.00 0.00 H new ATOM 749 N GLN A 48 -1.616 -11.124 -10.641 1.00 0.00 N ATOM 750 CA GLN A 48 -1.270 -10.136 -11.663 1.00 0.00 C ATOM 751 C GLN A 48 -1.828 -8.752 -11.339 1.00 0.00 C ATOM 752 O GLN A 48 -1.351 -7.747 -11.865 1.00 0.00 O ATOM 753 CB GLN A 48 -1.776 -10.593 -13.034 1.00 0.00 C ATOM 754 CG GLN A 48 -3.281 -10.785 -13.095 1.00 0.00 C ATOM 755 CD GLN A 48 -3.760 -11.202 -14.472 1.00 0.00 C ATOM 756 OE1 GLN A 48 -2.963 -11.366 -15.395 1.00 0.00 O ATOM 757 NE2 GLN A 48 -5.069 -11.376 -14.616 1.00 0.00 N ATOM 0 H GLN A 48 -2.407 -11.721 -10.881 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.183 -10.057 -11.681 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.481 -9.859 -13.784 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.288 -11.531 -13.298 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.577 -11.540 -12.367 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.774 -9.856 -12.809 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.693 -11.229 -13.823 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.450 -11.657 -15.520 1.00 0.00 H new ATOM 766 N ALA A 49 -2.838 -8.700 -10.480 1.00 0.00 N ATOM 767 CA ALA A 49 -3.451 -7.431 -10.102 1.00 0.00 C ATOM 768 C ALA A 49 -2.417 -6.473 -9.526 1.00 0.00 C ATOM 769 O ALA A 49 -2.347 -5.310 -9.923 1.00 0.00 O ATOM 770 CB ALA A 49 -4.577 -7.659 -9.107 1.00 0.00 C ATOM 0 H ALA A 49 -3.250 -9.519 -10.032 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.867 -6.977 -11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.023 -6.702 -8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.336 -8.298 -9.557 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.181 -8.140 -8.213 1.00 0.00 H new ATOM 776 N VAL A 50 -1.614 -6.967 -8.592 1.00 0.00 N ATOM 777 CA VAL A 50 -0.583 -6.145 -7.970 1.00 0.00 C ATOM 778 C VAL A 50 0.621 -6.006 -8.895 1.00 0.00 C ATOM 779 O VAL A 50 1.134 -4.908 -9.101 1.00 0.00 O ATOM 780 CB VAL A 50 -0.126 -6.719 -6.603 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.284 -7.398 -5.886 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.044 -7.684 -6.766 1.00 0.00 C ATOM 0 H VAL A 50 -1.656 -7.927 -8.250 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.022 -5.163 -7.793 1.00 0.00 H new ATOM 0 HB VAL A 50 0.214 -5.882 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.939 -7.792 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.080 -6.674 -5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.663 -8.215 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.338 -8.067 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.745 -8.514 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.886 -7.161 -7.220 1.00 0.00 H new ATOM 792 N VAL A 51 1.066 -7.131 -9.445 1.00 0.00 N ATOM 793 CA VAL A 51 2.210 -7.144 -10.344 1.00 0.00 C ATOM 794 C VAL A 51 1.970 -6.222 -11.530 1.00 0.00 C ATOM 795 O VAL A 51 2.880 -5.532 -11.989 1.00 0.00 O ATOM 796 CB VAL A 51 2.504 -8.568 -10.856 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.765 -8.587 -11.706 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.625 -9.540 -9.691 1.00 0.00 C ATOM 0 H VAL A 51 0.649 -8.047 -9.282 1.00 0.00 H new ATOM 0 HA VAL A 51 3.072 -6.791 -9.779 1.00 0.00 H new ATOM 0 HB VAL A 51 1.670 -8.885 -11.482 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.953 -9.602 -12.056 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.636 -7.926 -12.563 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.611 -8.247 -11.109 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.833 -10.540 -10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.438 -9.225 -9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.691 -9.552 -9.129 1.00 0.00 H new ATOM 808 N ARG A 52 0.736 -6.211 -12.018 1.00 0.00 N ATOM 809 CA ARG A 52 0.376 -5.369 -13.147 1.00 0.00 C ATOM 810 C ARG A 52 0.171 -3.924 -12.707 1.00 0.00 C ATOM 811 O ARG A 52 0.669 -2.994 -13.341 1.00 0.00 O ATOM 812 CB ARG A 52 -0.890 -5.894 -13.828 1.00 0.00 C ATOM 813 CG ARG A 52 -1.090 -5.354 -15.235 1.00 0.00 C ATOM 814 CD ARG A 52 -1.660 -6.414 -16.164 1.00 0.00 C ATOM 815 NE ARG A 52 -1.060 -6.356 -17.495 1.00 0.00 N ATOM 816 CZ ARG A 52 -1.500 -7.057 -18.537 1.00 0.00 C ATOM 817 NH1 ARG A 52 -2.542 -7.869 -18.408 1.00 0.00 N ATOM 818 NH2 ARG A 52 -0.896 -6.946 -19.713 1.00 0.00 N ATOM 0 H ARG A 52 -0.030 -6.775 -11.649 1.00 0.00 H new ATOM 0 HA ARG A 52 1.199 -5.399 -13.862 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.847 -6.982 -13.868 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.756 -5.631 -13.220 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.762 -4.496 -15.204 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.137 -4.999 -15.628 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.492 -7.401 -15.734 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.739 -6.281 -16.247 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.257 -5.742 -17.634 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.010 -7.958 -17.506 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.874 -8.404 -19.211 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.095 -6.324 -19.818 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.233 -7.483 -20.512 1.00 0.00 H new ATOM 832 N GLU A 53 -0.571 -3.743 -11.618 1.00 0.00 N ATOM 833 CA GLU A 53 -0.848 -2.411 -11.096 1.00 0.00 C ATOM 834 C GLU A 53 0.406 -1.775 -10.503 1.00 0.00 C ATOM 835 O GLU A 53 0.489 -0.554 -10.377 1.00 0.00 O ATOM 836 CB GLU A 53 -1.950 -2.473 -10.037 1.00 0.00 C ATOM 837 CG GLU A 53 -2.605 -1.129 -9.764 1.00 0.00 C ATOM 838 CD GLU A 53 -3.877 -0.926 -10.564 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.075 -1.653 -11.560 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.677 -0.042 -10.192 1.00 0.00 O ATOM 0 H GLU A 53 -0.990 -4.502 -11.081 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.183 -1.792 -11.928 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.713 -3.181 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.529 -2.858 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.832 -1.049 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.901 -0.331 -10.000 1.00 0.00 H new ATOM 847 N LEU A 54 1.382 -2.604 -10.136 1.00 0.00 N ATOM 848 CA LEU A 54 2.623 -2.101 -9.556 1.00 0.00 C ATOM 849 C LEU A 54 3.295 -1.119 -10.502 1.00 0.00 C ATOM 850 O LEU A 54 3.733 -0.047 -10.089 1.00 0.00 O ATOM 851 CB LEU A 54 3.572 -3.255 -9.240 1.00 0.00 C ATOM 852 CG LEU A 54 3.914 -3.427 -7.761 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.661 -3.333 -6.898 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.616 -4.753 -7.544 1.00 0.00 C ATOM 0 H LEU A 54 1.337 -3.619 -10.229 1.00 0.00 H new ATOM 0 HA LEU A 54 2.380 -1.583 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.127 -4.181 -9.604 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.498 -3.106 -9.796 1.00 0.00 H new ATOM 0 HG LEU A 54 4.585 -2.621 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.931 -3.459 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.195 -2.358 -7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.960 -4.115 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.857 -4.869 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.962 -5.567 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.535 -4.779 -8.130 1.00 0.00 H new ATOM 866 N GLN A 55 3.347 -1.477 -11.778 1.00 0.00 N ATOM 867 CA GLN A 55 3.935 -0.602 -12.778 1.00 0.00 C ATOM 868 C GLN A 55 3.106 0.672 -12.868 1.00 0.00 C ATOM 869 O GLN A 55 3.622 1.754 -13.149 1.00 0.00 O ATOM 870 CB GLN A 55 3.988 -1.302 -14.139 1.00 0.00 C ATOM 871 CG GLN A 55 5.401 -1.562 -14.635 1.00 0.00 C ATOM 872 CD GLN A 55 6.008 -2.814 -14.034 1.00 0.00 C ATOM 873 OE1 GLN A 55 6.179 -3.824 -14.715 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.338 -2.754 -12.749 1.00 0.00 N ATOM 0 H GLN A 55 2.991 -2.361 -12.141 1.00 0.00 H new ATOM 0 HA GLN A 55 4.956 -0.354 -12.488 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.455 -2.251 -14.071 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.461 -0.692 -14.873 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.390 -1.653 -15.721 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.030 -0.705 -14.394 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.179 -1.896 -12.221 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.751 -3.566 -12.290 1.00 0.00 H new ATOM 883 N GLU A 56 1.811 0.521 -12.606 1.00 0.00 N ATOM 884 CA GLU A 56 0.880 1.635 -12.633 1.00 0.00 C ATOM 885 C GLU A 56 1.000 2.479 -11.375 1.00 0.00 C ATOM 886 O GLU A 56 0.711 3.672 -11.400 1.00 0.00 O ATOM 887 CB GLU A 56 -0.554 1.121 -12.755 1.00 0.00 C ATOM 888 CG GLU A 56 -1.502 2.103 -13.424 1.00 0.00 C ATOM 889 CD GLU A 56 -2.517 2.687 -12.458 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.883 1.991 -11.487 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.946 3.839 -12.674 1.00 0.00 O ATOM 0 H GLU A 56 1.383 -0.374 -12.370 1.00 0.00 H new ATOM 0 HA GLU A 56 1.126 2.253 -13.497 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.550 0.190 -13.322 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.932 0.886 -11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.925 2.912 -13.871 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.027 1.600 -14.236 1.00 0.00 H new ATOM 898 N GLU A 57 1.394 1.857 -10.264 1.00 0.00 N ATOM 899 CA GLU A 57 1.510 2.586 -9.006 1.00 0.00 C ATOM 900 C GLU A 57 2.960 2.796 -8.576 1.00 0.00 C ATOM 901 O GLU A 57 3.220 3.314 -7.490 1.00 0.00 O ATOM 902 CB GLU A 57 0.733 1.877 -7.901 1.00 0.00 C ATOM 903 CG GLU A 57 -0.150 2.823 -7.105 1.00 0.00 C ATOM 904 CD GLU A 57 -1.628 2.550 -7.305 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.002 2.072 -8.396 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.412 2.813 -6.368 1.00 0.00 O ATOM 0 H GLU A 57 1.634 0.867 -10.211 1.00 0.00 H new ATOM 0 HA GLU A 57 1.080 3.573 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.115 1.094 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.435 1.387 -7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.092 2.735 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.069 3.850 -7.397 1.00 0.00 H new ATOM 913 N VAL A 58 3.902 2.413 -9.429 1.00 0.00 N ATOM 914 CA VAL A 58 5.315 2.588 -9.124 1.00 0.00 C ATOM 915 C VAL A 58 6.036 3.169 -10.324 1.00 0.00 C ATOM 916 O VAL A 58 6.839 4.093 -10.194 1.00 0.00 O ATOM 917 CB VAL A 58 5.986 1.256 -8.731 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.399 1.497 -8.223 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.165 0.524 -7.686 1.00 0.00 C ATOM 0 H VAL A 58 3.714 1.981 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 58 5.383 3.270 -8.276 1.00 0.00 H new ATOM 0 HB VAL A 58 6.041 0.630 -9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.855 0.545 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.991 1.973 -9.005 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.365 2.146 -7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.659 -0.412 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.072 1.145 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.173 0.312 -8.085 1.00 0.00 H new ATOM 929 N GLY A 59 5.729 2.627 -11.497 1.00 0.00 N ATOM 930 CA GLY A 59 6.334 3.098 -12.725 1.00 0.00 C ATOM 931 C GLY A 59 7.809 2.780 -12.831 1.00 0.00 C ATOM 932 O GLY A 59 8.299 2.396 -13.894 1.00 0.00 O ATOM 0 H GLY A 59 5.065 1.862 -11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.812 2.652 -13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.197 4.177 -12.798 1.00 0.00 H new ATOM 936 N ILE A 60 8.511 2.943 -11.731 1.00 0.00 N ATOM 937 CA ILE A 60 9.937 2.680 -11.679 1.00 0.00 C ATOM 938 C ILE A 60 10.215 1.187 -11.597 1.00 0.00 C ATOM 939 O ILE A 60 9.297 0.368 -11.654 1.00 0.00 O ATOM 940 CB ILE A 60 10.625 3.372 -10.478 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.656 3.651 -9.329 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.311 4.656 -10.918 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.309 3.544 -7.967 1.00 0.00 C ATOM 0 H ILE A 60 8.113 3.261 -10.848 1.00 0.00 H new ATOM 0 HA ILE A 60 10.350 3.090 -12.601 1.00 0.00 H new ATOM 0 HB ILE A 60 11.377 2.678 -10.102 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.238 4.650 -9.448 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.824 2.949 -9.384 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.788 5.127 -10.058 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.065 4.426 -11.671 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.572 5.337 -11.340 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.571 3.753 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.703 2.537 -7.831 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.123 4.265 -7.896 1.00 0.00 H new ATOM 955 N THR A 61 11.490 0.845 -11.470 1.00 0.00 N ATOM 956 CA THR A 61 11.917 -0.530 -11.383 1.00 0.00 C ATOM 957 C THR A 61 12.488 -0.820 -10.000 1.00 0.00 C ATOM 958 O THR A 61 13.683 -0.635 -9.765 1.00 0.00 O ATOM 959 CB THR A 61 12.983 -0.756 -12.437 1.00 0.00 C ATOM 960 OG1 THR A 61 13.767 0.413 -12.609 1.00 0.00 O ATOM 961 CG2 THR A 61 12.416 -1.127 -13.788 1.00 0.00 C ATOM 0 H THR A 61 12.253 1.521 -11.425 1.00 0.00 H new ATOM 0 HA THR A 61 11.070 -1.195 -11.548 1.00 0.00 H new ATOM 0 HB THR A 61 13.584 -1.589 -12.071 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.451 0.250 -13.291 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.231 -1.275 -14.497 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.840 -2.048 -13.700 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.768 -0.326 -14.143 1.00 0.00 H new ATOM 969 N PRO A 62 11.639 -1.233 -9.046 1.00 0.00 N ATOM 970 CA PRO A 62 12.045 -1.491 -7.682 1.00 0.00 C ATOM 971 C PRO A 62 12.056 -2.962 -7.305 1.00 0.00 C ATOM 972 O PRO A 62 11.213 -3.732 -7.763 1.00 0.00 O ATOM 973 CB PRO A 62 10.900 -0.804 -6.953 1.00 0.00 C ATOM 974 CG PRO A 62 9.694 -1.177 -7.761 1.00 0.00 C ATOM 975 CD PRO A 62 10.186 -1.424 -9.173 1.00 0.00 C ATOM 0 HA PRO A 62 13.060 -1.156 -7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.815 -1.150 -5.923 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.039 0.276 -6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.215 -2.068 -7.355 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.952 -0.379 -7.742 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.938 -2.428 -9.519 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.746 -0.724 -9.884 1.00 0.00 H new ATOM 983 N GLN A 63 12.963 -3.337 -6.406 1.00 0.00 N ATOM 984 CA GLN A 63 12.987 -4.703 -5.927 1.00 0.00 C ATOM 985 C GLN A 63 11.812 -4.832 -4.978 1.00 0.00 C ATOM 986 O GLN A 63 11.949 -4.722 -3.759 1.00 0.00 O ATOM 987 CB GLN A 63 14.303 -5.016 -5.213 1.00 0.00 C ATOM 988 CG GLN A 63 15.486 -5.144 -6.158 1.00 0.00 C ATOM 989 CD GLN A 63 16.795 -5.370 -5.426 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.832 -5.422 -4.197 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.879 -5.506 -6.181 1.00 0.00 N ATOM 0 H GLN A 63 13.674 -2.724 -6.006 1.00 0.00 H new ATOM 0 HA GLN A 63 12.913 -5.411 -6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.510 -4.229 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.192 -5.945 -4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.310 -5.972 -6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.563 -4.240 -6.762 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.802 -5.456 -7.197 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.788 -5.660 -5.745 1.00 0.00 H new ATOM 1000 N HIS A 64 10.647 -5.003 -5.575 1.00 0.00 N ATOM 1001 CA HIS A 64 9.396 -5.080 -4.846 1.00 0.00 C ATOM 1002 C HIS A 64 8.681 -6.385 -5.158 1.00 0.00 C ATOM 1003 O HIS A 64 8.458 -6.714 -6.323 1.00 0.00 O ATOM 1004 CB HIS A 64 8.547 -3.870 -5.259 1.00 0.00 C ATOM 1005 CG HIS A 64 7.085 -3.972 -4.935 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.566 -4.870 -4.027 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.028 -3.268 -5.407 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.256 -4.718 -3.958 1.00 0.00 C ATOM 1009 NE2 HIS A 64 4.904 -3.751 -4.785 1.00 0.00 N ATOM 0 H HIS A 64 10.542 -5.093 -6.586 1.00 0.00 H new ATOM 0 HA HIS A 64 9.573 -5.061 -3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.949 -2.982 -4.772 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.655 -3.721 -6.333 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.110 -5.547 -3.491 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.063 -2.474 -6.138 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.586 -5.288 -3.331 1.00 0.00 H new ATOM 1018 N PHE A 65 8.343 -7.140 -4.117 1.00 0.00 N ATOM 1019 CA PHE A 65 7.680 -8.419 -4.315 1.00 0.00 C ATOM 1020 C PHE A 65 7.332 -9.098 -2.991 1.00 0.00 C ATOM 1021 O PHE A 65 7.929 -8.809 -1.955 1.00 0.00 O ATOM 1022 CB PHE A 65 8.606 -9.319 -5.112 1.00 0.00 C ATOM 1023 CG PHE A 65 7.893 -10.336 -5.956 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.065 -9.931 -6.992 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.050 -11.692 -5.718 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.407 -10.861 -7.774 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.394 -12.626 -6.497 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.571 -12.210 -7.528 1.00 0.00 C ATOM 0 H PHE A 65 8.515 -6.891 -3.143 1.00 0.00 H new ATOM 0 HA PHE A 65 6.745 -8.243 -4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.231 -8.701 -5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.273 -9.837 -4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.933 -8.877 -7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.692 -12.023 -4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.764 -10.533 -8.578 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.524 -13.680 -6.301 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.058 -12.938 -8.139 1.00 0.00 H new ATOM 1038 N SER A 66 6.370 -10.023 -3.047 1.00 0.00 N ATOM 1039 CA SER A 66 5.930 -10.776 -1.870 1.00 0.00 C ATOM 1040 C SER A 66 4.889 -9.998 -1.072 1.00 0.00 C ATOM 1041 O SER A 66 4.389 -8.968 -1.523 1.00 0.00 O ATOM 1042 CB SER A 66 7.118 -11.135 -0.969 1.00 0.00 C ATOM 1043 OG SER A 66 8.290 -11.357 -1.734 1.00 0.00 O ATOM 0 H SER A 66 5.877 -10.270 -3.905 1.00 0.00 H new ATOM 0 HA SER A 66 5.472 -11.698 -2.229 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.293 -10.330 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.883 -12.029 -0.391 1.00 0.00 H new ATOM 0 HG SER A 66 8.802 -10.524 -1.798 1.00 0.00 H new ATOM 1049 N LEU A 67 4.565 -10.501 0.117 1.00 0.00 N ATOM 1050 CA LEU A 67 3.579 -9.859 0.982 1.00 0.00 C ATOM 1051 C LEU A 67 3.955 -10.014 2.449 1.00 0.00 C ATOM 1052 O LEU A 67 4.247 -11.119 2.908 1.00 0.00 O ATOM 1053 CB LEU A 67 2.192 -10.456 0.735 1.00 0.00 C ATOM 1054 CG LEU A 67 2.037 -11.924 1.139 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.474 -12.032 2.547 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.146 -12.659 0.148 1.00 0.00 C ATOM 0 H LEU A 67 4.972 -11.353 0.504 1.00 0.00 H new ATOM 0 HA LEU A 67 3.561 -8.796 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.456 -9.865 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.955 -10.360 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 67 3.022 -12.391 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.370 -13.083 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.150 -11.542 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.498 -11.549 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.047 -13.701 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.161 -12.192 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.591 -12.611 -0.846 1.00 0.00 H new ATOM 1068 N PHE A 68 3.938 -8.908 3.192 1.00 0.00 N ATOM 1069 CA PHE A 68 4.270 -8.959 4.607 1.00 0.00 C ATOM 1070 C PHE A 68 3.092 -9.531 5.391 1.00 0.00 C ATOM 1071 O PHE A 68 3.269 -10.261 6.366 1.00 0.00 O ATOM 1072 CB PHE A 68 4.686 -7.575 5.141 1.00 0.00 C ATOM 1073 CG PHE A 68 3.561 -6.597 5.380 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.585 -6.843 6.335 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.502 -5.413 4.663 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.570 -5.933 6.562 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.493 -4.496 4.892 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.526 -4.758 5.841 1.00 0.00 C ATOM 0 H PHE A 68 3.701 -7.980 2.840 1.00 0.00 H new ATOM 0 HA PHE A 68 5.129 -9.616 4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.225 -7.715 6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.386 -7.129 4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.619 -7.758 6.908 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.253 -5.204 3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.812 -6.142 7.303 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.462 -3.575 4.329 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.736 -4.044 6.019 1.00 0.00 H new ATOM 1088 N GLU A 69 1.888 -9.202 4.933 1.00 0.00 N ATOM 1089 CA GLU A 69 0.654 -9.677 5.548 1.00 0.00 C ATOM 1090 C GLU A 69 -0.531 -9.304 4.665 1.00 0.00 C ATOM 1091 O GLU A 69 -0.403 -8.462 3.779 1.00 0.00 O ATOM 1092 CB GLU A 69 0.483 -9.087 6.949 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.351 -9.953 7.877 1.00 0.00 C ATOM 1094 CD GLU A 69 -1.387 -9.157 8.647 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.997 -8.417 9.575 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -2.587 -9.272 8.321 1.00 0.00 O ATOM 0 H GLU A 69 1.741 -8.598 4.124 1.00 0.00 H new ATOM 0 HA GLU A 69 0.703 -10.762 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.467 -8.937 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.017 -8.105 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.852 -10.725 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.307 -10.462 8.581 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.678 -9.933 4.886 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.857 -9.640 4.079 1.00 0.00 C ATOM 1105 C LYS A 70 -4.136 -9.691 4.910 1.00 0.00 C ATOM 1106 O LYS A 70 -4.361 -10.638 5.663 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.955 -10.619 2.909 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.967 -12.077 3.335 1.00 0.00 C ATOM 1109 CD LYS A 70 -1.568 -12.672 3.321 1.00 0.00 C ATOM 1110 CE LYS A 70 -1.395 -13.714 4.415 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.282 -14.892 4.205 1.00 0.00 N ATOM 0 H LYS A 70 -1.818 -10.640 5.607 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.748 -8.626 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.863 -10.407 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.114 -10.453 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.390 -12.161 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.613 -12.647 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.375 -13.127 2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.833 -11.878 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.356 -14.042 4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.613 -13.263 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.110 -15.594 4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.276 -14.588 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.080 -15.317 3.278 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.974 -8.668 4.761 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.236 -8.598 5.488 1.00 0.00 C ATOM 1127 C LEU A 71 -7.416 -8.564 4.520 1.00 0.00 C ATOM 1128 O LEU A 71 -7.346 -7.944 3.459 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.256 -7.361 6.391 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.606 -7.045 7.039 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.791 -7.856 8.312 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.720 -5.556 7.331 1.00 0.00 C ATOM 0 H LEU A 71 -4.800 -7.876 4.142 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.327 -9.490 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.516 -7.495 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.943 -6.498 5.804 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.396 -7.320 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.756 -7.618 8.758 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.754 -8.919 8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.996 -7.613 9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.686 -5.348 7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.922 -5.256 8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.634 -4.995 6.400 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.500 -9.237 4.894 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.695 -9.288 4.065 1.00 0.00 C ATOM 1146 C GLU A 72 -10.952 -9.183 4.930 1.00 0.00 C ATOM 1147 O GLU A 72 -11.275 -10.099 5.687 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.710 -10.587 3.249 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.096 -11.028 2.808 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.055 -12.129 1.766 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.072 -12.182 0.998 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -12.006 -12.937 1.720 1.00 0.00 O ATOM 0 H GLU A 72 -8.573 -9.756 5.769 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.683 -8.442 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.084 -10.456 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.260 -11.382 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.656 -11.376 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.634 -10.171 2.404 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.655 -8.063 4.811 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.874 -7.835 5.578 1.00 0.00 C ATOM 1161 C TYR A 73 -13.945 -7.183 4.710 1.00 0.00 C ATOM 1162 O TYR A 73 -13.633 -6.489 3.744 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.581 -6.956 6.795 1.00 0.00 C ATOM 1164 CG TYR A 73 -12.112 -5.563 6.438 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.868 -5.356 5.854 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.914 -4.455 6.685 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.437 -4.085 5.527 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.491 -3.182 6.359 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.251 -3.001 5.781 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.826 -1.734 5.455 1.00 0.00 O ATOM 0 H TYR A 73 -11.401 -7.296 4.188 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.245 -8.801 5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.482 -6.882 7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.821 -7.440 7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.228 -6.202 5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.884 -4.592 7.139 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.467 -3.941 5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.127 -2.332 6.555 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.518 -1.084 5.698 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.208 -7.408 5.058 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.316 -6.836 4.299 1.00 0.00 C ATOM 1182 C GLU A 74 -17.191 -5.953 5.181 1.00 0.00 C ATOM 1183 O GLU A 74 -17.466 -6.279 6.336 1.00 0.00 O ATOM 1184 CB GLU A 74 -17.168 -7.935 3.659 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.335 -9.168 4.530 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.822 -10.374 3.749 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.689 -10.198 2.866 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -17.337 -11.492 4.020 1.00 0.00 O ATOM 0 H GLU A 74 -15.489 -7.978 5.855 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.885 -6.221 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.153 -7.529 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.714 -8.229 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.382 -9.406 5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.041 -8.949 5.331 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.624 -4.836 4.615 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.474 -3.885 5.318 1.00 0.00 C ATOM 1197 C PHE A 75 -19.949 -4.236 5.121 1.00 0.00 C ATOM 1198 O PHE A 75 -20.293 -4.997 4.220 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.196 -2.465 4.821 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.466 -1.610 5.817 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.250 -2.019 6.341 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.995 -0.398 6.229 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.576 -1.235 7.258 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.326 0.391 7.146 1.00 0.00 C ATOM 1205 CZ PHE A 75 -16.115 -0.028 7.661 1.00 0.00 C ATOM 0 H PHE A 75 -17.397 -4.563 3.659 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.247 -3.937 6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.611 -2.519 3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -19.142 -1.986 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.824 -2.961 6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.941 -0.065 5.829 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.629 -1.565 7.659 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -17.750 1.334 7.459 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.590 0.587 8.377 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.839 -3.684 5.966 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.280 -3.932 5.884 1.00 0.00 C ATOM 1217 C PRO A 76 -22.824 -3.683 4.483 1.00 0.00 C ATOM 1218 O PRO A 76 -23.332 -2.603 4.185 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.888 -2.935 6.885 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.785 -1.991 7.226 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.512 -2.766 7.056 1.00 0.00 C ATOM 0 HA PRO A 76 -22.525 -4.970 6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.735 -2.407 6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.256 -3.447 7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.801 -1.119 6.572 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.886 -1.625 8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.674 -2.117 6.802 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.238 -3.299 7.966 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.695 -4.701 3.635 1.00 0.00 N ATOM 1230 CA ASP A 77 -23.150 -4.656 2.238 1.00 0.00 C ATOM 1231 C ASP A 77 -22.016 -4.238 1.302 1.00 0.00 C ATOM 1232 O ASP A 77 -22.253 -3.860 0.154 1.00 0.00 O ATOM 1233 CB ASP A 77 -24.349 -3.715 2.058 1.00 0.00 C ATOM 1234 CG ASP A 77 -25.436 -3.954 3.087 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.439 -5.039 3.706 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -26.286 -3.058 3.273 1.00 0.00 O ATOM 0 H ASP A 77 -22.269 -5.590 3.896 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.469 -5.665 1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.009 -2.682 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.764 -3.848 1.059 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.784 -4.318 1.798 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.612 -3.961 1.009 1.00 0.00 C ATOM 1243 C ARG A 78 -18.495 -4.979 1.221 1.00 0.00 C ATOM 1244 O ARG A 78 -18.390 -5.581 2.289 1.00 0.00 O ATOM 1245 CB ARG A 78 -19.125 -2.560 1.384 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.915 -2.100 0.587 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.528 -0.671 0.935 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.095 -0.433 0.771 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.463 0.639 1.244 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.131 1.573 1.909 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.157 0.779 1.051 1.00 0.00 N ATOM 0 H ARG A 78 -20.573 -4.628 2.746 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.892 -3.965 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.939 -1.850 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.878 -2.543 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.074 -2.764 0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.132 -2.170 -0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.084 0.019 0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.815 -0.459 1.965 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.547 -1.129 0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.135 1.472 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.641 2.392 2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.638 0.065 0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.673 1.600 1.414 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.665 -5.169 0.202 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.559 -6.117 0.286 1.00 0.00 C ATOM 1267 C HIS A 79 -15.236 -5.432 -0.036 1.00 0.00 C ATOM 1268 O HIS A 79 -14.900 -5.228 -1.203 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.790 -7.289 -0.670 1.00 0.00 C ATOM 1270 CG HIS A 79 -16.463 -8.622 -0.071 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.441 -8.810 0.835 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -17.032 -9.838 -0.252 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -15.395 -10.083 1.186 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -16.349 -10.727 0.540 1.00 0.00 N ATOM 0 H HIS A 79 -17.736 -4.681 -0.691 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.512 -6.497 1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.833 -7.288 -0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.184 -7.143 -1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -17.867 -10.065 -0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.696 -10.522 1.883 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -16.547 -11.725 0.617 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.487 -5.077 1.003 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.207 -4.416 0.829 1.00 0.00 C ATOM 1285 C ILE A 80 -12.053 -5.385 1.080 1.00 0.00 C ATOM 1286 O ILE A 80 -11.826 -5.820 2.208 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.077 -3.197 1.769 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.643 -2.676 1.775 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.514 -3.558 3.181 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.513 -1.254 2.275 1.00 0.00 C ATOM 0 H ILE A 80 -14.749 -5.238 1.975 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.158 -4.068 -0.203 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.731 -2.409 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.032 -3.328 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.241 -2.734 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.415 -2.686 3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.554 -3.883 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.887 -4.364 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.465 -0.954 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.096 -0.589 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.884 -1.193 3.298 1.00 0.00 H new ATOM 1302 N THR A 81 -11.326 -5.710 0.019 1.00 0.00 N ATOM 1303 CA THR A 81 -10.190 -6.620 0.116 1.00 0.00 C ATOM 1304 C THR A 81 -8.883 -5.839 0.061 1.00 0.00 C ATOM 1305 O THR A 81 -8.602 -5.157 -0.924 1.00 0.00 O ATOM 1306 CB THR A 81 -10.236 -7.648 -1.019 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.520 -7.680 -1.615 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.906 -9.053 -0.567 1.00 0.00 C ATOM 0 H THR A 81 -11.503 -5.356 -0.921 1.00 0.00 H new ATOM 0 HA THR A 81 -10.245 -7.146 1.069 1.00 0.00 H new ATOM 0 HB THR A 81 -9.477 -7.325 -1.732 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.528 -8.341 -2.338 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.957 -9.731 -1.419 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.901 -9.073 -0.147 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.623 -9.369 0.191 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.087 -5.930 1.123 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.818 -5.211 1.172 1.00 0.00 C ATOM 1318 C LEU A 82 -5.637 -6.165 1.301 1.00 0.00 C ATOM 1319 O LEU A 82 -5.474 -6.834 2.321 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.811 -4.234 2.348 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.825 -3.094 2.256 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.971 -2.402 3.603 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -7.409 -2.097 1.184 1.00 0.00 C ATOM 0 H LEU A 82 -8.295 -6.487 1.952 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.715 -4.663 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.000 -4.793 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.813 -3.804 2.436 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.792 -3.513 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.697 -1.593 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.314 -3.122 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.007 -1.995 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.142 -1.292 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.432 -1.683 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.355 -2.601 0.219 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.801 -6.205 0.270 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.621 -7.058 0.284 1.00 0.00 C ATOM 1337 C TRP A 83 -2.371 -6.218 0.475 1.00 0.00 C ATOM 1338 O TRP A 83 -2.093 -5.312 -0.306 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.517 -7.863 -1.012 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.618 -8.861 -1.161 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.923 -8.673 -0.833 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.512 -10.197 -1.664 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.646 -9.807 -1.104 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.803 -10.760 -1.614 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.457 -10.972 -2.152 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -6.064 -12.061 -2.035 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.719 -12.265 -2.568 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -5.013 -12.797 -2.508 1.00 0.00 C ATOM 0 H TRP A 83 -4.919 -5.658 -0.583 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.713 -7.756 1.117 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.534 -7.180 -1.861 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.558 -8.380 -1.038 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.332 -7.763 -0.419 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.648 -9.922 -0.951 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.456 -10.569 -2.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -7.061 -12.474 -1.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.912 -12.875 -2.946 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.184 -13.810 -2.842 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.625 -6.526 1.519 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.400 -5.794 1.815 1.00 0.00 C ATOM 1361 C PHE A 84 0.820 -6.558 1.311 1.00 0.00 C ATOM 1362 O PHE A 84 1.166 -7.616 1.835 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.285 -5.523 3.317 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.385 -4.649 3.859 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.712 -5.038 3.746 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -1.097 -3.442 4.482 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.727 -4.244 4.242 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -2.111 -2.645 4.979 1.00 0.00 C ATOM 1369 CZ PHE A 84 -3.426 -3.046 4.858 1.00 0.00 C ATOM 0 H PHE A 84 -1.842 -7.275 2.177 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.440 -4.836 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.292 -6.473 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.676 -5.050 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.954 -5.974 3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.070 -3.123 4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.755 -4.560 4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.874 -1.708 5.462 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.219 -2.423 5.245 1.00 0.00 H new ATOM 1379 N TRP A 85 1.458 -6.019 0.274 1.00 0.00 N ATOM 1380 CA TRP A 85 2.628 -6.651 -0.326 1.00 0.00 C ATOM 1381 C TRP A 85 3.929 -6.096 0.247 1.00 0.00 C ATOM 1382 O TRP A 85 4.004 -4.933 0.641 1.00 0.00 O ATOM 1383 CB TRP A 85 2.592 -6.488 -1.844 1.00 0.00 C ATOM 1384 CG TRP A 85 1.534 -7.335 -2.479 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.185 -7.217 -2.313 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.735 -8.441 -3.367 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.467 -8.179 -3.043 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.462 -8.942 -3.702 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.865 -9.053 -3.915 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.291 -10.027 -4.557 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.693 -10.130 -4.764 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.414 -10.607 -5.078 1.00 0.00 C ATOM 0 H TRP A 85 1.182 -5.143 -0.169 1.00 0.00 H new ATOM 0 HA TRP A 85 2.596 -7.713 -0.082 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.414 -5.441 -2.091 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.564 -6.753 -2.259 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.300 -6.474 -1.697 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.478 -8.306 -3.088 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.855 -8.691 -3.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.694 -10.398 -4.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.559 -10.612 -5.193 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.313 -11.450 -5.745 1.00 0.00 H new ATOM 1403 N LEU A 86 4.951 -6.950 0.299 1.00 0.00 N ATOM 1404 CA LEU A 86 6.253 -6.575 0.832 1.00 0.00 C ATOM 1405 C LEU A 86 7.197 -6.114 -0.278 1.00 0.00 C ATOM 1406 O LEU A 86 7.261 -6.718 -1.346 1.00 0.00 O ATOM 1407 CB LEU A 86 6.871 -7.758 1.577 1.00 0.00 C ATOM 1408 CG LEU A 86 8.100 -7.427 2.429 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.311 -7.170 1.545 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.825 -6.225 3.322 1.00 0.00 C ATOM 0 H LEU A 86 4.897 -7.915 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 86 6.107 -5.743 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.110 -8.197 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.149 -8.519 0.848 1.00 0.00 H new ATOM 0 HG LEU A 86 8.316 -8.285 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.174 -6.937 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.523 -8.059 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.105 -6.330 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.710 -6.006 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.581 -5.361 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.987 -6.447 3.983 1.00 0.00 H new ATOM 1422 N VAL A 87 7.929 -5.041 -0.013 1.00 0.00 N ATOM 1423 CA VAL A 87 8.885 -4.489 -0.972 1.00 0.00 C ATOM 1424 C VAL A 87 10.255 -4.402 -0.359 1.00 0.00 C ATOM 1425 O VAL A 87 10.382 -4.145 0.838 1.00 0.00 O ATOM 1426 CB VAL A 87 8.492 -3.091 -1.425 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.436 -2.581 -2.505 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.050 -3.089 -1.902 1.00 0.00 C ATOM 0 H VAL A 87 7.880 -4.528 0.867 1.00 0.00 H new ATOM 0 HA VAL A 87 8.886 -5.161 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 87 8.575 -2.411 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.132 -1.580 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.453 -2.548 -2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.400 -3.250 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.775 -2.085 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.942 -3.781 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.397 -3.400 -1.087 1.00 0.00 H new ATOM 1438 N GLU A 88 11.286 -4.622 -1.156 1.00 0.00 N ATOM 1439 CA GLU A 88 12.629 -4.558 -0.613 1.00 0.00 C ATOM 1440 C GLU A 88 13.439 -3.356 -1.111 1.00 0.00 C ATOM 1441 O GLU A 88 14.341 -2.899 -0.409 1.00 0.00 O ATOM 1442 CB GLU A 88 13.390 -5.857 -0.899 1.00 0.00 C ATOM 1443 CG GLU A 88 12.504 -7.092 -0.938 1.00 0.00 C ATOM 1444 CD GLU A 88 13.292 -8.367 -1.171 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.155 -8.695 -0.329 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.045 -9.038 -2.195 1.00 0.00 O ATOM 0 H GLU A 88 11.224 -4.840 -2.151 1.00 0.00 H new ATOM 0 HA GLU A 88 12.509 -4.427 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.906 -5.762 -1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.155 -5.994 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.958 -7.173 0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.762 -6.978 -1.728 1.00 0.00 H new ATOM 1453 N ARG A 89 13.153 -2.842 -2.309 1.00 0.00 N ATOM 1454 CA ARG A 89 13.919 -1.705 -2.819 1.00 0.00 C ATOM 1455 C ARG A 89 13.202 -1.012 -3.973 1.00 0.00 C ATOM 1456 O ARG A 89 12.282 -1.571 -4.563 1.00 0.00 O ATOM 1457 CB ARG A 89 15.336 -2.173 -3.220 1.00 0.00 C ATOM 1458 CG ARG A 89 15.719 -1.967 -4.688 1.00 0.00 C ATOM 1459 CD ARG A 89 16.985 -1.134 -4.824 1.00 0.00 C ATOM 1460 NE ARG A 89 16.909 0.113 -4.066 1.00 0.00 N ATOM 1461 CZ ARG A 89 17.674 1.177 -4.308 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.573 1.149 -5.285 1.00 0.00 N ATOM 1463 NH2 ARG A 89 17.539 2.270 -3.570 1.00 0.00 N ATOM 0 H ARG A 89 12.418 -3.183 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 89 14.010 -0.962 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.061 -1.647 -2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.427 -3.234 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.867 -2.936 -5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.900 -1.474 -5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.840 -1.716 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.158 -0.908 -5.876 1.00 0.00 H new ATOM 0 HE ARG A 89 16.230 0.173 -3.307 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.681 0.310 -5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.156 1.967 -5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.850 2.296 -2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.124 3.085 -3.754 1.00 0.00 H new ATOM 1477 N TRP A 90 13.652 0.197 -4.305 1.00 0.00 N ATOM 1478 CA TRP A 90 13.071 0.949 -5.409 1.00 0.00 C ATOM 1479 C TRP A 90 14.065 1.962 -5.974 1.00 0.00 C ATOM 1480 O TRP A 90 14.574 2.819 -5.252 1.00 0.00 O ATOM 1481 CB TRP A 90 11.758 1.622 -4.978 1.00 0.00 C ATOM 1482 CG TRP A 90 11.909 2.985 -4.379 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.258 4.134 -5.028 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.683 3.345 -3.015 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.269 5.186 -4.147 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.917 4.727 -2.905 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.307 2.631 -1.873 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.782 5.411 -1.704 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.174 3.313 -0.678 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.410 4.691 -0.602 1.00 0.00 C ATOM 0 H TRP A 90 14.415 0.673 -3.825 1.00 0.00 H new ATOM 0 HA TRP A 90 12.837 0.248 -6.210 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.103 1.694 -5.846 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.258 0.978 -4.255 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.491 4.205 -6.080 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.501 6.152 -4.379 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.124 1.568 -1.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.964 6.474 -1.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.883 2.774 0.212 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.296 5.196 0.346 1.00 0.00 H new ATOM 1501 N GLU A 91 14.347 1.843 -7.273 1.00 0.00 N ATOM 1502 CA GLU A 91 15.288 2.740 -7.935 1.00 0.00 C ATOM 1503 C GLU A 91 14.699 4.139 -8.085 1.00 0.00 C ATOM 1504 O GLU A 91 13.496 4.297 -8.294 1.00 0.00 O ATOM 1505 CB GLU A 91 15.671 2.187 -9.309 1.00 0.00 C ATOM 1506 CG GLU A 91 16.787 1.157 -9.261 1.00 0.00 C ATOM 1507 CD GLU A 91 16.282 -0.236 -8.939 1.00 0.00 C ATOM 1508 OE1 GLU A 91 15.980 -0.500 -7.757 1.00 0.00 O ATOM 1509 OE2 GLU A 91 16.189 -1.063 -9.871 1.00 0.00 O ATOM 0 H GLU A 91 13.937 1.136 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 91 16.181 2.808 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.791 1.736 -9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.977 3.013 -9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.302 1.140 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.520 1.456 -8.512 1.00 0.00 H new ATOM 1516 N GLY A 92 15.555 5.150 -7.978 1.00 0.00 N ATOM 1517 CA GLY A 92 15.104 6.525 -8.105 1.00 0.00 C ATOM 1518 C GLY A 92 13.973 6.857 -7.152 1.00 0.00 C ATOM 1519 O GLY A 92 14.147 6.813 -5.934 1.00 0.00 O ATOM 0 H GLY A 92 16.554 5.042 -7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.941 7.197 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.776 6.703 -9.129 1.00 0.00 H new ATOM 1523 N GLU A 93 12.813 7.188 -7.707 1.00 0.00 N ATOM 1524 CA GLU A 93 11.649 7.527 -6.897 1.00 0.00 C ATOM 1525 C GLU A 93 10.399 6.824 -7.422 1.00 0.00 C ATOM 1526 O GLU A 93 10.244 6.640 -8.630 1.00 0.00 O ATOM 1527 CB GLU A 93 11.432 9.042 -6.889 1.00 0.00 C ATOM 1528 CG GLU A 93 10.758 9.552 -5.626 1.00 0.00 C ATOM 1529 CD GLU A 93 11.278 10.910 -5.197 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.664 11.704 -6.080 1.00 0.00 O ATOM 1531 OE2 GLU A 93 11.298 11.180 -3.978 1.00 0.00 O ATOM 0 H GLU A 93 12.653 7.229 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 93 11.834 7.188 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.395 9.539 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.826 9.319 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.683 9.614 -5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.915 8.835 -4.820 1.00 0.00 H new ATOM 1538 N PRO A 94 9.479 6.431 -6.523 1.00 0.00 N ATOM 1539 CA PRO A 94 8.236 5.758 -6.900 1.00 0.00 C ATOM 1540 C PRO A 94 7.231 6.743 -7.468 1.00 0.00 C ATOM 1541 O PRO A 94 6.959 7.778 -6.859 1.00 0.00 O ATOM 1542 CB PRO A 94 7.721 5.162 -5.577 1.00 0.00 C ATOM 1543 CG PRO A 94 8.782 5.440 -4.560 1.00 0.00 C ATOM 1544 CD PRO A 94 9.554 6.618 -5.073 1.00 0.00 C ATOM 0 HA PRO A 94 8.389 5.006 -7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.774 5.616 -5.287 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.544 4.091 -5.674 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.341 5.657 -3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.432 4.575 -4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.109 7.563 -4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.584 6.617 -4.715 1.00 0.00 H new ATOM 1552 N TRP A 95 6.684 6.435 -8.637 1.00 0.00 N ATOM 1553 CA TRP A 95 5.719 7.329 -9.255 1.00 0.00 C ATOM 1554 C TRP A 95 4.463 6.605 -9.709 1.00 0.00 C ATOM 1555 O TRP A 95 3.364 6.891 -9.234 1.00 0.00 O ATOM 1556 CB TRP A 95 6.341 8.070 -10.442 1.00 0.00 C ATOM 1557 CG TRP A 95 7.100 7.202 -11.414 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.415 6.850 -11.338 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.596 6.596 -12.615 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.770 6.086 -12.428 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.671 5.918 -13.225 1.00 0.00 C ATOM 1562 CE3 TRP A 95 5.344 6.563 -13.236 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.532 5.226 -14.428 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 5.206 5.873 -14.425 1.00 0.00 C ATOM 1565 CH2 TRP A 95 6.295 5.217 -15.013 1.00 0.00 C ATOM 0 H TRP A 95 6.888 5.588 -9.167 1.00 0.00 H new ATOM 0 HA TRP A 95 5.431 8.048 -8.488 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.548 8.587 -10.983 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.016 8.835 -10.059 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.083 7.130 -10.537 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.699 5.708 -12.611 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.498 7.069 -12.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 8.369 4.716 -14.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.241 5.839 -14.910 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.155 4.693 -15.947 1.00 0.00 H new ATOM 1576 N GLY A 96 4.629 5.679 -10.641 1.00 0.00 N ATOM 1577 CA GLY A 96 3.491 4.940 -11.162 1.00 0.00 C ATOM 1578 C GLY A 96 2.308 5.839 -11.484 1.00 0.00 C ATOM 1579 O GLY A 96 2.255 6.447 -12.554 1.00 0.00 O ATOM 0 H GLY A 96 5.529 5.424 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.792 4.405 -12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.185 4.190 -10.433 1.00 0.00 H new ATOM 1583 N LYS A 97 1.356 5.919 -10.554 1.00 0.00 N ATOM 1584 CA LYS A 97 0.168 6.746 -10.741 1.00 0.00 C ATOM 1585 C LYS A 97 -0.780 6.640 -9.544 1.00 0.00 C ATOM 1586 O LYS A 97 -1.999 6.683 -9.704 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.569 6.340 -12.020 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.132 7.519 -12.798 1.00 0.00 C ATOM 1589 CD LYS A 97 -0.140 8.029 -13.831 1.00 0.00 C ATOM 1590 CE LYS A 97 -0.784 9.036 -14.771 1.00 0.00 C ATOM 1591 NZ LYS A 97 -1.198 10.276 -14.058 1.00 0.00 N ATOM 0 H LYS A 97 1.386 5.421 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 97 0.498 7.781 -10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.114 5.784 -12.662 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.384 5.664 -11.761 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.055 7.221 -13.295 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.386 8.324 -12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.708 8.492 -13.326 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.251 7.190 -14.407 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.083 9.291 -15.565 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.654 8.583 -15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.586 10.957 -14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.924 10.044 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.373 10.695 -13.583 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.214 6.514 -8.346 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.013 6.416 -7.129 1.00 0.00 C ATOM 1607 C GLU A 98 -1.831 7.688 -6.928 1.00 0.00 C ATOM 1608 O GLU A 98 -3.028 7.632 -6.642 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.104 6.175 -5.922 1.00 0.00 C ATOM 1610 CG GLU A 98 1.128 7.069 -5.897 1.00 0.00 C ATOM 1611 CD GLU A 98 2.382 6.324 -5.484 1.00 0.00 C ATOM 1612 OE1 GLU A 98 2.403 5.773 -4.363 1.00 0.00 O ATOM 1613 OE2 GLU A 98 3.343 6.292 -6.280 1.00 0.00 O ATOM 0 H GLU A 98 0.794 6.477 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.699 5.574 -7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.677 6.335 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.214 5.132 -5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.277 7.503 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.958 7.896 -5.208 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.178 8.836 -7.093 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.859 10.110 -6.940 1.00 0.00 C ATOM 1622 C GLY A 99 -1.708 10.710 -5.555 1.00 0.00 C ATOM 1623 O GLY A 99 -2.441 11.629 -5.192 1.00 0.00 O ATOM 0 H GLY A 99 -0.188 8.906 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.470 10.813 -7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.919 9.976 -7.156 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.761 10.195 -4.775 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.535 10.700 -3.424 1.00 0.00 C ATOM 1629 C GLN A 100 0.951 10.772 -3.095 1.00 0.00 C ATOM 1630 O GLN A 100 1.543 9.802 -2.624 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.258 9.823 -2.400 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.729 10.166 -2.236 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.465 9.173 -1.357 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -2.948 8.734 -0.330 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.678 8.813 -1.758 1.00 0.00 N ATOM 0 H GLN A 100 -0.142 9.434 -5.053 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.939 11.711 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.168 8.779 -2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.761 9.921 -1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.820 11.163 -1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.202 10.198 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.068 9.202 -2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.220 8.147 -1.208 1.00 0.00 H new ATOM 1644 N PRO A 101 1.570 11.937 -3.332 1.00 0.00 N ATOM 1645 CA PRO A 101 2.992 12.155 -3.050 1.00 0.00 C ATOM 1646 C PRO A 101 3.414 11.588 -1.695 1.00 0.00 C ATOM 1647 O PRO A 101 2.692 11.718 -0.706 1.00 0.00 O ATOM 1648 CB PRO A 101 3.089 13.676 -3.042 1.00 0.00 C ATOM 1649 CG PRO A 101 2.077 14.110 -4.040 1.00 0.00 C ATOM 1650 CD PRO A 101 0.931 13.149 -3.888 1.00 0.00 C ATOM 0 HA PRO A 101 3.642 11.661 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.875 14.084 -2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.089 14.013 -3.316 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.757 15.136 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.484 14.080 -5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.164 13.541 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.448 12.946 -4.844 1.00 0.00 H new ATOM 1658 N GLY A 102 4.586 10.958 -1.656 1.00 0.00 N ATOM 1659 CA GLY A 102 5.076 10.382 -0.415 1.00 0.00 C ATOM 1660 C GLY A 102 6.536 10.709 -0.155 1.00 0.00 C ATOM 1661 O GLY A 102 7.193 11.348 -0.977 1.00 0.00 O ATOM 0 H GLY A 102 5.203 10.836 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.472 10.749 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.950 9.300 -0.447 1.00 0.00 H new ATOM 1665 N GLU A 103 7.044 10.266 0.994 1.00 0.00 N ATOM 1666 CA GLU A 103 8.436 10.510 1.366 1.00 0.00 C ATOM 1667 C GLU A 103 9.028 9.295 2.076 1.00 0.00 C ATOM 1668 O GLU A 103 8.298 8.480 2.638 1.00 0.00 O ATOM 1669 CB GLU A 103 8.536 11.742 2.266 1.00 0.00 C ATOM 1670 CG GLU A 103 9.855 12.485 2.137 1.00 0.00 C ATOM 1671 CD GLU A 103 9.730 13.760 1.324 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.420 13.666 0.118 1.00 0.00 O ATOM 1673 OE2 GLU A 103 9.942 14.851 1.894 1.00 0.00 O ATOM 0 H GLU A 103 6.512 9.736 1.684 1.00 0.00 H new ATOM 0 HA GLU A 103 9.006 10.689 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.720 12.424 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.401 11.436 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.230 12.728 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.592 11.831 1.670 1.00 0.00 H new ATOM 1680 N TRP A 104 10.355 9.179 2.049 1.00 0.00 N ATOM 1681 CA TRP A 104 11.034 8.055 2.696 1.00 0.00 C ATOM 1682 C TRP A 104 11.029 8.232 4.212 1.00 0.00 C ATOM 1683 O TRP A 104 11.747 9.073 4.752 1.00 0.00 O ATOM 1684 CB TRP A 104 12.480 7.919 2.183 1.00 0.00 C ATOM 1685 CG TRP A 104 12.679 8.450 0.796 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.789 8.393 -0.237 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.840 9.120 0.291 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.327 8.984 -1.355 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.584 9.439 -1.056 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.071 9.481 0.848 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.513 10.102 -1.854 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.992 10.138 0.054 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.710 10.443 -1.283 1.00 0.00 C ATOM 0 H TRP A 104 10.978 9.843 1.590 1.00 0.00 H new ATOM 0 HA TRP A 104 10.493 7.142 2.446 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.149 8.446 2.864 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.767 6.868 2.205 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.806 7.949 -0.184 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.865 9.070 -2.260 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.298 9.251 1.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.297 10.339 -2.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.946 10.421 0.473 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.452 10.958 -1.876 1.00 0.00 H new ATOM 1704 N MET A 105 10.210 7.433 4.891 1.00 0.00 N ATOM 1705 CA MET A 105 10.103 7.498 6.346 1.00 0.00 C ATOM 1706 C MET A 105 10.489 6.166 6.979 1.00 0.00 C ATOM 1707 O MET A 105 10.533 5.139 6.307 1.00 0.00 O ATOM 1708 CB MET A 105 8.679 7.877 6.764 1.00 0.00 C ATOM 1709 CG MET A 105 8.024 8.902 5.849 1.00 0.00 C ATOM 1710 SD MET A 105 7.278 10.272 6.755 1.00 0.00 S ATOM 1711 CE MET A 105 5.744 9.525 7.298 1.00 0.00 C ATOM 0 H MET A 105 9.610 6.732 4.456 1.00 0.00 H new ATOM 0 HA MET A 105 10.793 8.265 6.698 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.065 6.977 6.785 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.701 8.272 7.780 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.770 9.293 5.157 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.259 8.410 5.249 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.170 10.251 7.874 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.165 9.211 6.430 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.962 8.658 7.922 1.00 0.00 H new ATOM 1721 N SER A 106 10.762 6.187 8.279 1.00 0.00 N ATOM 1722 CA SER A 106 11.138 4.976 8.998 1.00 0.00 C ATOM 1723 C SER A 106 9.901 4.169 9.388 1.00 0.00 C ATOM 1724 O SER A 106 9.082 4.621 10.189 1.00 0.00 O ATOM 1725 CB SER A 106 11.945 5.329 10.248 1.00 0.00 C ATOM 1726 OG SER A 106 11.539 6.579 10.781 1.00 0.00 O ATOM 0 H SER A 106 10.730 7.028 8.855 1.00 0.00 H new ATOM 0 HA SER A 106 11.754 4.367 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.816 4.550 11.000 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.006 5.362 10.002 1.00 0.00 H new ATOM 0 HG SER A 106 12.069 6.781 11.580 1.00 0.00 H new ATOM 1732 N LEU A 107 9.774 2.974 8.819 1.00 0.00 N ATOM 1733 CA LEU A 107 8.636 2.105 9.110 1.00 0.00 C ATOM 1734 C LEU A 107 8.734 1.524 10.517 1.00 0.00 C ATOM 1735 O LEU A 107 7.740 1.063 11.078 1.00 0.00 O ATOM 1736 CB LEU A 107 8.551 0.975 8.082 1.00 0.00 C ATOM 1737 CG LEU A 107 7.130 0.523 7.733 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.420 -0.013 8.967 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.340 1.672 7.120 1.00 0.00 C ATOM 0 H LEU A 107 10.443 2.585 8.155 1.00 0.00 H new ATOM 0 HA LEU A 107 7.730 2.708 9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.048 1.298 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.106 0.117 8.461 1.00 0.00 H new ATOM 0 HG LEU A 107 7.196 -0.280 6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.412 -0.329 8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.973 -0.864 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.365 0.769 9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.333 1.333 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.284 2.496 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.837 2.011 6.211 1.00 0.00 H new ATOM 1751 N VAL A 108 9.935 1.550 11.088 1.00 0.00 N ATOM 1752 CA VAL A 108 10.157 1.028 12.433 1.00 0.00 C ATOM 1753 C VAL A 108 9.257 1.718 13.462 1.00 0.00 C ATOM 1754 O VAL A 108 9.156 1.270 14.603 1.00 0.00 O ATOM 1755 CB VAL A 108 11.630 1.190 12.860 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.024 2.660 12.887 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.870 0.540 14.214 1.00 0.00 C ATOM 0 H VAL A 108 10.770 1.927 10.640 1.00 0.00 H new ATOM 0 HA VAL A 108 9.907 -0.032 12.401 1.00 0.00 H new ATOM 0 HB VAL A 108 12.257 0.685 12.125 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.067 2.752 13.191 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.896 3.089 11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.391 3.193 13.596 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.915 0.665 14.498 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.232 1.011 14.962 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.635 -0.523 14.154 1.00 0.00 H new ATOM 1767 N GLY A 109 8.608 2.807 13.054 1.00 0.00 N ATOM 1768 CA GLY A 109 7.734 3.528 13.954 1.00 0.00 C ATOM 1769 C GLY A 109 6.412 3.882 13.305 1.00 0.00 C ATOM 1770 O GLY A 109 5.984 5.035 13.334 1.00 0.00 O ATOM 0 H GLY A 109 8.675 3.200 12.115 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.551 2.923 14.842 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.230 4.440 14.286 1.00 0.00 H new ATOM 1774 N LEU A 110 5.764 2.880 12.722 1.00 0.00 N ATOM 1775 CA LEU A 110 4.479 3.075 12.064 1.00 0.00 C ATOM 1776 C LEU A 110 3.440 3.552 13.074 1.00 0.00 C ATOM 1777 O LEU A 110 3.358 3.023 14.183 1.00 0.00 O ATOM 1778 CB LEU A 110 4.026 1.762 11.423 1.00 0.00 C ATOM 1779 CG LEU A 110 3.133 1.896 10.184 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.056 2.948 10.399 1.00 0.00 C ATOM 1781 CD2 LEU A 110 3.973 2.229 8.963 1.00 0.00 C ATOM 0 H LEU A 110 6.110 1.921 12.692 1.00 0.00 H new ATOM 0 HA LEU A 110 4.585 3.834 11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.912 1.189 11.149 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.490 1.180 12.173 1.00 0.00 H new ATOM 0 HG LEU A 110 2.637 0.940 10.015 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.437 3.023 9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.434 2.664 11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.524 3.912 10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.326 2.321 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.497 3.171 9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.700 1.434 8.794 1.00 0.00 H new ATOM 1793 N ASN A 111 2.663 4.566 12.702 1.00 0.00 N ATOM 1794 CA ASN A 111 1.658 5.113 13.602 1.00 0.00 C ATOM 1795 C ASN A 111 0.239 4.821 13.137 1.00 0.00 C ATOM 1796 O ASN A 111 -0.167 5.211 12.042 1.00 0.00 O ATOM 1797 CB ASN A 111 1.859 6.619 13.762 1.00 0.00 C ATOM 1798 CG ASN A 111 2.307 7.000 15.160 1.00 0.00 C ATOM 1799 OD1 ASN A 111 2.049 6.280 16.125 1.00 0.00 O ATOM 1800 ND2 ASN A 111 2.983 8.138 15.276 1.00 0.00 N ATOM 0 H ASN A 111 2.711 5.021 11.790 1.00 0.00 H new ATOM 0 HA ASN A 111 1.788 4.621 14.566 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.600 6.962 13.040 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.926 7.133 13.530 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.310 8.446 16.192 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.175 8.704 14.449 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.515 4.145 13.999 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.899 3.809 13.712 1.00 0.00 C ATOM 1809 C ALA A 112 -2.789 5.055 13.789 1.00 0.00 C ATOM 1810 O ALA A 112 -3.934 5.042 13.336 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.400 2.732 14.666 1.00 0.00 C ATOM 0 H ALA A 112 -0.184 3.819 14.907 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.949 3.417 12.696 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.438 2.495 14.434 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.790 1.836 14.556 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.331 3.094 15.692 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.261 6.126 14.379 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.014 7.369 14.522 1.00 0.00 C ATOM 1819 C ASP A 113 -3.080 8.139 13.202 1.00 0.00 C ATOM 1820 O ASP A 113 -4.153 8.570 12.782 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.383 8.247 15.603 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.217 9.476 15.908 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -3.598 10.187 14.955 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.487 9.729 17.101 1.00 0.00 O ATOM 0 H ASP A 113 -1.317 6.157 14.765 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.031 7.109 14.814 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.256 7.662 16.514 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.389 8.557 15.281 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.929 8.315 12.554 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.871 9.043 11.286 1.00 0.00 C ATOM 1831 C ASP A 114 -2.530 8.245 10.164 1.00 0.00 C ATOM 1832 O ASP A 114 -3.026 8.819 9.195 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.426 9.393 10.894 1.00 0.00 C ATOM 1834 CG ASP A 114 0.623 8.786 11.806 1.00 0.00 C ATOM 1835 OD1 ASP A 114 0.770 9.272 12.947 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.297 7.826 11.378 1.00 0.00 O ATOM 0 H ASP A 114 -1.029 7.966 12.883 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.421 9.973 11.431 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.245 9.056 9.873 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.312 10.477 10.896 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.530 6.925 10.298 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.130 6.056 9.293 1.00 0.00 C ATOM 1843 C PHE A 115 -4.580 5.734 9.668 1.00 0.00 C ATOM 1844 O PHE A 115 -5.017 6.030 10.780 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.289 4.772 9.145 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.936 3.535 9.694 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.388 3.511 10.995 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.086 2.401 8.915 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.979 2.386 11.522 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.679 1.268 9.435 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.124 1.263 10.741 1.00 0.00 C ATOM 0 H PHE A 115 -2.121 6.432 11.092 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.142 6.569 8.331 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.073 4.615 8.088 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.333 4.920 9.647 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.277 4.390 11.612 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.737 2.402 7.893 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.328 2.385 12.544 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.794 0.387 8.821 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.586 0.377 11.150 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.348 5.118 8.751 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.748 4.760 9.015 1.00 0.00 C ATOM 1863 C PRO A 116 -6.865 3.669 10.080 1.00 0.00 C ATOM 1864 O PRO A 116 -6.230 2.624 9.972 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.247 4.245 7.662 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.019 3.801 6.944 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.918 4.719 7.398 1.00 0.00 C ATOM 0 HA PRO A 116 -7.324 5.603 9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.951 3.422 7.788 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.767 5.027 7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.783 2.763 7.179 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.156 3.860 5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.953 4.213 7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.814 5.580 6.738 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.678 3.896 11.129 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.861 2.921 12.215 1.00 0.00 C ATOM 1877 C PRO A 117 -8.544 1.635 11.758 1.00 0.00 C ATOM 1878 O PRO A 117 -8.526 0.629 12.468 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.746 3.664 13.221 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.444 4.708 12.419 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.476 5.117 11.345 1.00 0.00 C ATOM 0 HA PRO A 117 -6.903 2.596 12.620 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.458 2.989 13.695 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.150 4.110 14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.365 4.318 11.987 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.720 5.559 13.041 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.991 5.428 10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.854 5.954 11.661 1.00 0.00 H new ATOM 1889 N ALA A 118 -9.149 1.669 10.577 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.841 0.503 10.037 1.00 0.00 C ATOM 1891 C ALA A 118 -8.871 -0.515 9.448 1.00 0.00 C ATOM 1892 O ALA A 118 -9.266 -1.622 9.086 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.858 0.931 8.990 1.00 0.00 C ATOM 0 H ALA A 118 -9.175 2.491 9.974 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.360 0.019 10.864 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -11.367 0.051 8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.589 1.599 9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.348 1.450 8.178 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.608 -0.130 9.336 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.592 -1.002 8.768 1.00 0.00 C ATOM 1901 C ASN A 119 -5.537 -1.387 9.806 1.00 0.00 C ATOM 1902 O ASN A 119 -4.380 -1.634 9.466 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.942 -0.284 7.591 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.588 -0.639 6.267 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.924 -1.102 5.341 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.895 -0.418 6.170 1.00 0.00 N ATOM 0 H ASN A 119 -7.262 0.783 9.632 1.00 0.00 H new ATOM 0 HA ASN A 119 -7.063 -1.926 8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.006 0.793 7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.883 -0.538 7.555 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.386 -0.634 5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.407 -0.032 6.963 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.940 -1.421 11.073 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.033 -1.757 12.164 1.00 0.00 C ATOM 1915 C GLU A 120 -4.600 -3.228 12.150 1.00 0.00 C ATOM 1916 O GLU A 120 -3.475 -3.540 12.524 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.684 -1.385 13.504 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.110 -2.571 14.360 1.00 0.00 C ATOM 1919 CD GLU A 120 -4.961 -3.160 15.153 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -4.127 -2.380 15.659 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.895 -4.402 15.269 1.00 0.00 O ATOM 0 H GLU A 120 -6.895 -1.219 11.370 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.121 -1.176 12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.983 -0.776 14.075 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.558 -0.765 13.307 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.896 -2.255 15.046 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.537 -3.342 13.719 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.476 -4.159 11.737 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.137 -5.588 11.710 1.00 0.00 C ATOM 1930 C PRO A 121 -3.833 -5.884 10.970 1.00 0.00 C ATOM 1931 O PRO A 121 -3.000 -6.652 11.452 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.322 -6.221 10.981 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.458 -5.289 11.225 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.858 -3.912 11.281 1.00 0.00 C ATOM 0 HA PRO A 121 -4.974 -5.977 12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.120 -6.328 9.915 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -6.538 -7.218 11.366 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.199 -5.360 10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.968 -5.531 12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.878 -3.425 10.306 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.399 -3.266 11.972 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.664 -5.282 9.799 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.462 -5.496 8.999 1.00 0.00 C ATOM 1944 C VAL A 122 -1.285 -4.704 9.547 1.00 0.00 C ATOM 1945 O VAL A 122 -0.204 -5.252 9.767 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.671 -5.101 7.523 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.683 -5.841 6.634 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.102 -5.369 7.079 1.00 0.00 C ATOM 0 H VAL A 122 -4.341 -4.643 9.382 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.248 -6.563 9.055 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.490 -4.030 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.842 -5.553 5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.665 -5.586 6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.833 -6.916 6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.219 -5.081 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.325 -6.430 7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.789 -4.788 7.695 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.497 -3.411 9.759 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.447 -2.549 10.272 1.00 0.00 C ATOM 1960 C ILE A 123 -0.050 -2.952 11.686 1.00 0.00 C ATOM 1961 O ILE A 123 1.093 -2.772 12.084 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.862 -1.063 10.247 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.946 -0.568 8.794 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.120 -0.219 11.052 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.073 0.498 8.443 1.00 0.00 C ATOM 0 H ILE A 123 -2.385 -2.940 9.583 1.00 0.00 H new ATOM 0 HA ILE A 123 0.413 -2.672 9.614 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.845 -0.963 10.706 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.813 -1.417 8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.946 -0.173 8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.189 0.826 11.023 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.134 -0.564 12.086 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.118 -0.314 10.624 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.053 0.793 7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.072 1.366 9.086 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.078 0.103 8.589 1.00 0.00 H new ATOM 1977 N ALA A 124 -0.988 -3.503 12.442 1.00 0.00 N ATOM 1978 CA ALA A 124 -0.699 -3.931 13.806 1.00 0.00 C ATOM 1979 C ALA A 124 0.477 -4.899 13.817 1.00 0.00 C ATOM 1980 O ALA A 124 1.266 -4.928 14.761 1.00 0.00 O ATOM 1981 CB ALA A 124 -1.922 -4.578 14.438 1.00 0.00 C ATOM 0 H ALA A 124 -1.949 -3.664 12.139 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.435 -3.051 14.393 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.684 -4.890 15.455 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.742 -3.861 14.461 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.217 -5.448 13.852 1.00 0.00 H new ATOM 1987 N LYS A 125 0.585 -5.689 12.753 1.00 0.00 N ATOM 1988 CA LYS A 125 1.667 -6.664 12.632 1.00 0.00 C ATOM 1989 C LYS A 125 2.980 -5.998 12.211 1.00 0.00 C ATOM 1990 O LYS A 125 4.032 -6.255 12.797 1.00 0.00 O ATOM 1991 CB LYS A 125 1.289 -7.748 11.622 1.00 0.00 C ATOM 1992 CG LYS A 125 2.334 -8.844 11.486 1.00 0.00 C ATOM 1993 CD LYS A 125 2.015 -10.032 12.379 1.00 0.00 C ATOM 1994 CE LYS A 125 3.278 -10.760 12.810 1.00 0.00 C ATOM 1995 NZ LYS A 125 4.029 -11.306 11.646 1.00 0.00 N ATOM 0 H LYS A 125 -0.061 -5.674 11.964 1.00 0.00 H new ATOM 0 HA LYS A 125 1.817 -7.116 13.612 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.341 -8.196 11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.130 -7.286 10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.386 -9.172 10.448 1.00 0.00 H new ATOM 0 HG3 LYS A 125 3.315 -8.446 11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.472 -9.691 13.260 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.359 -10.722 11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 125 3.919 -10.077 13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.015 -11.573 13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.836 -11.866 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.401 -11.912 11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 4.375 -10.522 11.057 1.00 0.00 H new ATOM 2009 N LEU A 126 2.913 -5.150 11.188 1.00 0.00 N ATOM 2010 CA LEU A 126 4.094 -4.453 10.678 1.00 0.00 C ATOM 2011 C LEU A 126 4.477 -3.270 11.565 1.00 0.00 C ATOM 2012 O LEU A 126 5.607 -2.786 11.515 1.00 0.00 O ATOM 2013 CB LEU A 126 3.845 -3.970 9.248 1.00 0.00 C ATOM 2014 CG LEU A 126 5.102 -3.791 8.396 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.455 -5.089 7.687 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.907 -2.667 7.390 1.00 0.00 C ATOM 0 H LEU A 126 2.050 -4.927 10.693 1.00 0.00 H new ATOM 0 HA LEU A 126 4.923 -5.161 10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.186 -4.681 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.314 -3.019 9.289 1.00 0.00 H new ATOM 0 HG LEU A 126 5.929 -3.524 9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.352 -4.943 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.637 -5.869 8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.629 -5.387 7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.811 -2.553 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.067 -2.905 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.703 -1.736 7.919 1.00 0.00 H new ATOM 2028 N LYS A 127 3.528 -2.804 12.365 1.00 0.00 N ATOM 2029 CA LYS A 127 3.758 -1.675 13.258 1.00 0.00 C ATOM 2030 C LYS A 127 4.409 -2.140 14.546 1.00 0.00 C ATOM 2031 O LYS A 127 5.343 -1.516 15.048 1.00 0.00 O ATOM 2032 CB LYS A 127 2.441 -0.989 13.575 1.00 0.00 C ATOM 2033 CG LYS A 127 2.589 0.244 14.448 1.00 0.00 C ATOM 2034 CD LYS A 127 1.347 1.120 14.392 1.00 0.00 C ATOM 2035 CE LYS A 127 0.136 0.405 14.967 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.092 0.759 16.395 1.00 0.00 N ATOM 0 H LYS A 127 2.586 -3.192 12.414 1.00 0.00 H new ATOM 0 HA LYS A 127 4.424 -0.971 12.760 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.955 -0.706 12.641 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.782 -1.700 14.074 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.776 -0.059 15.478 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.456 0.819 14.123 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.525 2.041 14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 127 1.147 1.404 13.359 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.748 0.662 14.384 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.274 -0.672 14.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.927 0.251 16.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.741 0.491 16.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.250 1.784 16.478 1.00 0.00 H new ATOM 2050 N ARG A 128 3.919 -3.260 15.064 1.00 0.00 N ATOM 2051 CA ARG A 128 4.465 -3.831 16.281 1.00 0.00 C ATOM 2052 C ARG A 128 5.912 -4.251 16.051 1.00 0.00 C ATOM 2053 O ARG A 128 6.632 -4.579 16.995 1.00 0.00 O ATOM 2054 CB ARG A 128 3.631 -5.032 16.727 1.00 0.00 C ATOM 2055 CG ARG A 128 4.123 -5.673 18.016 1.00 0.00 C ATOM 2056 CD ARG A 128 3.285 -6.884 18.392 1.00 0.00 C ATOM 2057 NE ARG A 128 3.036 -6.953 19.830 1.00 0.00 N ATOM 2058 CZ ARG A 128 2.657 -8.061 20.465 1.00 0.00 C ATOM 2059 NH1 ARG A 128 2.483 -9.192 19.794 1.00 0.00 N ATOM 2060 NH2 ARG A 128 2.453 -8.036 21.775 1.00 0.00 N ATOM 0 H ARG A 128 3.146 -3.787 14.658 1.00 0.00 H new ATOM 0 HA ARG A 128 4.434 -3.078 17.068 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.597 -4.715 16.861 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.635 -5.781 15.935 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.165 -5.972 17.900 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.089 -4.941 18.823 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.334 -6.846 17.861 1.00 0.00 H new ATOM 0 HD3 ARG A 128 3.794 -7.792 18.068 1.00 0.00 H new ATOM 0 HE ARG A 128 3.160 -6.103 20.380 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.640 -9.216 18.786 1.00 0.00 H new ATOM 0 HH12 ARG A 128 2.193 -10.037 20.286 1.00 0.00 H new ATOM 0 HH21 ARG A 128 2.586 -7.169 22.295 1.00 0.00 H new ATOM 0 HH22 ARG A 128 2.163 -8.884 22.262 1.00 0.00 H new ATOM 2074 N LEU A 129 6.337 -4.233 14.784 1.00 0.00 N ATOM 2075 CA LEU A 129 7.705 -4.607 14.431 1.00 0.00 C ATOM 2076 C LEU A 129 8.717 -3.912 15.345 1.00 0.00 C ATOM 2077 O LEU A 129 8.488 -2.791 15.801 1.00 0.00 O ATOM 2078 CB LEU A 129 7.979 -4.271 12.960 1.00 0.00 C ATOM 2079 CG LEU A 129 8.976 -3.137 12.716 1.00 0.00 C ATOM 2080 CD1 LEU A 129 9.327 -3.041 11.239 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.419 -1.814 13.225 1.00 0.00 C ATOM 0 H LEU A 129 5.755 -3.964 13.991 1.00 0.00 H new ATOM 0 HA LEU A 129 7.816 -5.682 14.570 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.348 -5.168 12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 129 7.034 -4.009 12.484 1.00 0.00 H new ATOM 0 HG LEU A 129 9.889 -3.358 13.270 1.00 0.00 H new ATOM 0 HD11 LEU A 129 10.037 -2.229 11.086 1.00 0.00 H new ATOM 0 HD12 LEU A 129 9.773 -3.980 10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.423 -2.846 10.662 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.143 -1.020 13.042 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.490 -1.585 12.703 1.00 0.00 H new ATOM 0 HD23 LEU A 129 8.225 -1.889 14.295 1.00 0.00 H new