USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1016 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 125 HIS : +bothHN:sc= -3.92! C(o=-6.6!,f=-18!) USER MOD Set 1.2: A 129 LYS NZ :NH3+ -128:sc= -2.7! (180deg=-5.83!) USER MOD Set 2.1: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 126 GLN : amide:sc= -0.0792 X(o=-0.079,f=-0.33) USER MOD Set 3.1: A 47 GLN :FLIP amide:sc= -1.41! C(o=-3.4!,f=-2.3!) USER MOD Set 3.2: A 100 MET CE :methyl -143:sc= -0.93 (180deg=-1.98!) USER MOD Set 4.1: A 55 THR OG1 : rot 180:sc= 0.129 USER MOD Set 4.2: A 56 GLN :FLIP amide:sc= -3.5! C(o=-5.6!,f=-3.4!) USER MOD Set 5.1: A 52 ASN : amide:sc= -1.25! C(o=-4.2!,f=-14!) USER MOD Set 5.2: A 54 THR OG1 : rot 21:sc= -1.36 USER MOD Set 5.3: A 59 MET CE :methyl 167:sc= -1.57 (180deg=-0.00778) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.00673) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 CYS SG : rot 180:sc= 0.00119 USER MOD Single : A 6 SER OG : rot 83:sc= 0.0529 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= 0.0454 F(o=-1.4,f=0.045) USER MOD Single : A 10 SER OG : rot 128:sc= 0.366 USER MOD Single : A 11 SER OG : rot -51:sc= 0.0162 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -3.33 F(o=-4!,f=-3.3) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= -0.986! (180deg=-1.27!) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -0.0766 (180deg=-0.634) USER MOD Single : A 34 ASN :FLIP amide:sc= -5.61! C(o=-6.9!,f=-5.6!) USER MOD Single : A 42 ASN : amide:sc= -4.62! C(o=-4.6!,f=-7.3!) USER MOD Single : A 43 LYS NZ :NH3+ -109:sc= -2.24 (180deg=-3.22!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.229) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 134:sc= 0.209 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -4.44 K(o=-4.4,f=-10!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.13) USER MOD Single : A 69 CYS SG : rot -93:sc= -1.91 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= -1.46 (180deg=-2.26) USER MOD Single : A 77 THR OG1 : rot 121:sc= 0.00423 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.75 K(o=-1.7,f=-3.2!) USER MOD Single : A 82 GLN :FLIP amide:sc= -2.23! C(o=-3.3!,f=-2.2!) USER MOD Single : A 84 ASN :FLIP amide:sc= -4.28 F(o=-14!,f=-4.3) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 180:sc= -0.0863 USER MOD Single : A 98 THR OG1 : rot -134:sc= -0.73 USER MOD Single : A 107 ASN : amide:sc= -1.55! C(o=-1.6!,f=-8.5!) USER MOD Single : A 110 LYS NZ :NH3+ -115:sc= -2.41 (180deg=-4.79!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 158:sc= -3.43! (180deg=-6.02!) USER MOD Single : A 113 MET CE :methyl -154:sc= -0.269 (180deg=-2.44!) USER MOD Single : A 119 SER OG : rot 74:sc= 1.05 USER MOD Single : A 124 GLN : amide:sc= -0.449 K(o=-0.45,f=-1.2) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.861 -24.841 3.740 1.00 0.00 N ATOM 2 CA MET A 1 -13.395 -23.799 4.696 1.00 0.00 C ATOM 3 C MET A 1 -11.945 -24.072 5.077 1.00 0.00 C ATOM 4 O MET A 1 -11.661 -24.557 6.172 1.00 0.00 O ATOM 5 CB MET A 1 -14.277 -23.828 5.947 1.00 0.00 C ATOM 6 CG MET A 1 -13.918 -22.650 6.853 1.00 0.00 C ATOM 7 SD MET A 1 -14.875 -22.754 8.386 1.00 0.00 S ATOM 8 CE MET A 1 -13.745 -23.842 9.286 1.00 0.00 C ATOM 0 H1 MET A 1 -14.851 -24.655 3.479 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.268 -24.819 2.886 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.790 -25.778 4.186 1.00 0.00 H new ATOM 0 HA MET A 1 -13.463 -22.816 4.231 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.328 -23.776 5.665 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.137 -24.767 6.482 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.851 -22.661 7.076 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.127 -21.709 6.344 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.110 -23.985 10.303 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.690 -24.807 8.781 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.753 -23.391 9.317 1.00 0.00 H new ATOM 18 N GLY A 2 -11.030 -23.760 4.165 1.00 0.00 N ATOM 19 CA GLY A 2 -9.609 -23.976 4.416 1.00 0.00 C ATOM 20 C GLY A 2 -9.088 -23.002 5.466 1.00 0.00 C ATOM 21 O GLY A 2 -9.606 -21.895 5.613 1.00 0.00 O ATOM 0 H GLY A 2 -11.244 -23.360 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.447 -25.000 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.049 -23.852 3.489 1.00 0.00 H new ATOM 25 N CYS A 3 -8.057 -23.422 6.195 1.00 0.00 N ATOM 26 CA CYS A 3 -7.473 -22.577 7.230 1.00 0.00 C ATOM 27 C CYS A 3 -7.003 -21.253 6.638 1.00 0.00 C ATOM 28 O CYS A 3 -7.106 -20.205 7.276 1.00 0.00 O ATOM 29 CB CYS A 3 -6.290 -23.295 7.883 1.00 0.00 C ATOM 30 SG CYS A 3 -6.872 -24.808 8.687 1.00 0.00 S ATOM 0 H CYS A 3 -7.613 -24.334 6.089 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.236 -22.375 7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.538 -23.536 7.132 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.813 -22.642 8.614 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.867 -25.420 9.240 1.00 0.00 H new ATOM 36 N GLY A 4 -6.485 -21.307 5.414 1.00 0.00 N ATOM 37 CA GLY A 4 -6.002 -20.105 4.746 1.00 0.00 C ATOM 38 C GLY A 4 -4.562 -19.803 5.141 1.00 0.00 C ATOM 39 O GLY A 4 -4.051 -18.714 4.880 1.00 0.00 O ATOM 0 H GLY A 4 -6.390 -22.164 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.067 -20.234 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.639 -19.259 5.005 1.00 0.00 H new ATOM 43 N ALA A 5 -3.910 -20.775 5.772 1.00 0.00 N ATOM 44 CA ALA A 5 -2.527 -20.602 6.199 1.00 0.00 C ATOM 45 C ALA A 5 -2.355 -19.277 6.937 1.00 0.00 C ATOM 46 O ALA A 5 -1.323 -18.618 6.815 1.00 0.00 O ATOM 47 CB ALA A 5 -1.597 -20.636 4.985 1.00 0.00 C ATOM 0 H ALA A 5 -4.314 -21.684 5.997 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.271 -21.418 6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.566 -20.506 5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.698 -21.595 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.864 -19.832 4.300 1.00 0.00 H new ATOM 53 N SER A 6 -3.373 -18.895 7.700 1.00 0.00 N ATOM 54 CA SER A 6 -3.325 -17.647 8.453 1.00 0.00 C ATOM 55 C SER A 6 -2.117 -17.631 9.385 1.00 0.00 C ATOM 56 O SER A 6 -1.534 -16.577 9.644 1.00 0.00 O ATOM 57 CB SER A 6 -4.605 -17.479 9.270 1.00 0.00 C ATOM 58 OG SER A 6 -5.728 -17.562 8.403 1.00 0.00 O ATOM 0 H SER A 6 -4.236 -19.427 7.813 1.00 0.00 H new ATOM 0 HA SER A 6 -3.236 -16.822 7.747 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.665 -18.251 10.037 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.598 -16.518 9.785 1.00 0.00 H new ATOM 0 HG SER A 6 -5.951 -18.503 8.246 1.00 0.00 H new ATOM 64 N SER A 7 -1.748 -18.805 9.887 1.00 0.00 N ATOM 65 CA SER A 7 -0.612 -18.912 10.795 1.00 0.00 C ATOM 66 C SER A 7 0.645 -18.336 10.152 1.00 0.00 C ATOM 67 O SER A 7 1.474 -17.724 10.826 1.00 0.00 O ATOM 68 CB SER A 7 -0.374 -20.377 11.161 1.00 0.00 C ATOM 69 OG SER A 7 -1.569 -20.928 11.699 1.00 0.00 O ATOM 0 H SER A 7 -2.215 -19.689 9.683 1.00 0.00 H new ATOM 0 HA SER A 7 -0.837 -18.343 11.697 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.066 -20.939 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.435 -20.455 11.887 1.00 0.00 H new ATOM 0 HG SER A 7 -1.420 -21.868 11.933 1.00 0.00 H new ATOM 75 N GLU A 8 0.780 -18.536 8.845 1.00 0.00 N ATOM 76 CA GLU A 8 1.942 -18.033 8.121 1.00 0.00 C ATOM 77 C GLU A 8 1.521 -17.429 6.785 1.00 0.00 C ATOM 78 O GLU A 8 0.803 -18.058 6.008 1.00 0.00 O ATOM 79 CB GLU A 8 2.939 -19.168 7.881 1.00 0.00 C ATOM 80 CG GLU A 8 4.233 -18.597 7.298 1.00 0.00 C ATOM 81 CD GLU A 8 5.205 -19.727 6.980 1.00 0.00 C ATOM 82 OE1 GLU A 8 4.844 -20.873 7.200 1.00 0.00 O ATOM 83 OE2 GLU A 8 6.296 -19.433 6.521 1.00 0.00 O ATOM 0 H GLU A 8 0.105 -19.039 8.269 1.00 0.00 H new ATOM 0 HA GLU A 8 2.415 -17.257 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.147 -19.687 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.513 -19.902 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.014 -18.029 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.687 -17.905 8.007 1.00 0.00 H new ATOM 90 N ASN A 9 1.973 -16.207 6.526 1.00 0.00 N ATOM 91 CA ASN A 9 1.637 -15.528 5.278 1.00 0.00 C ATOM 92 C ASN A 9 2.504 -14.287 5.093 1.00 0.00 C ATOM 93 O ASN A 9 2.983 -13.702 6.065 1.00 0.00 O ATOM 94 CB ASN A 9 0.161 -15.125 5.285 1.00 0.00 C ATOM 95 CG ASN A 9 -0.280 -14.741 3.877 1.00 0.00 C ATOM 96 OD1 ASN A 9 -0.695 -13.527 3.642 1.00 0.00 O flip ATOM 97 ND2 ASN A 9 -0.245 -15.569 2.967 1.00 0.00 N flip ATOM 0 H ASN A 9 2.568 -15.669 7.157 1.00 0.00 H new ATOM 0 HA ASN A 9 1.823 -16.214 4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.448 -15.950 5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.007 -14.287 5.965 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.080 -16.518 3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.541 -15.306 2.027 1.00 0.00 H new ATOM 104 N SER A 10 2.703 -13.892 3.840 1.00 0.00 N ATOM 105 CA SER A 10 3.515 -12.718 3.539 1.00 0.00 C ATOM 106 C SER A 10 2.900 -11.467 4.157 1.00 0.00 C ATOM 107 O SER A 10 3.606 -10.515 4.488 1.00 0.00 O ATOM 108 CB SER A 10 3.630 -12.538 2.026 1.00 0.00 C ATOM 109 OG SER A 10 2.358 -12.186 1.497 1.00 0.00 O ATOM 0 H SER A 10 2.317 -14.363 3.022 1.00 0.00 H new ATOM 0 HA SER A 10 4.508 -12.868 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.360 -11.762 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.986 -13.459 1.565 1.00 0.00 H new ATOM 0 HG SER A 10 2.444 -11.378 0.949 1.00 0.00 H new ATOM 115 N SER A 11 1.580 -11.478 4.312 1.00 0.00 N ATOM 116 CA SER A 11 0.879 -10.338 4.892 1.00 0.00 C ATOM 117 C SER A 11 0.876 -9.161 3.921 1.00 0.00 C ATOM 118 O SER A 11 0.603 -8.025 4.308 1.00 0.00 O ATOM 119 CB SER A 11 1.553 -9.919 6.199 1.00 0.00 C ATOM 120 OG SER A 11 0.600 -9.274 7.033 1.00 0.00 O ATOM 0 H SER A 11 0.978 -12.257 4.046 1.00 0.00 H new ATOM 0 HA SER A 11 -0.151 -10.633 5.093 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.965 -10.792 6.705 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.386 -9.248 5.993 1.00 0.00 H new ATOM 0 HG SER A 11 0.144 -8.571 6.525 1.00 0.00 H new ATOM 126 N VAL A 12 1.178 -9.442 2.658 1.00 0.00 N ATOM 127 CA VAL A 12 1.202 -8.400 1.638 1.00 0.00 C ATOM 128 C VAL A 12 0.748 -8.957 0.292 1.00 0.00 C ATOM 129 O VAL A 12 1.153 -10.050 -0.105 1.00 0.00 O ATOM 130 CB VAL A 12 2.613 -7.827 1.506 1.00 0.00 C ATOM 131 CG1 VAL A 12 2.565 -6.532 0.692 1.00 0.00 C ATOM 132 CG2 VAL A 12 3.175 -7.532 2.899 1.00 0.00 C ATOM 0 H VAL A 12 1.408 -10.376 2.318 1.00 0.00 H new ATOM 0 HA VAL A 12 0.517 -7.608 1.941 1.00 0.00 H new ATOM 0 HB VAL A 12 3.253 -8.550 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.571 -6.124 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.164 -6.740 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.925 -5.808 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.181 -7.123 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.535 -6.809 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.210 -8.454 3.480 1.00 0.00 H new ATOM 142 N THR A 13 -0.094 -8.201 -0.404 1.00 0.00 N ATOM 143 CA THR A 13 -0.598 -8.633 -1.702 1.00 0.00 C ATOM 144 C THR A 13 -0.408 -7.537 -2.745 1.00 0.00 C ATOM 145 O THR A 13 -0.550 -6.351 -2.447 1.00 0.00 O ATOM 146 CB THR A 13 -2.084 -8.985 -1.594 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.311 -9.712 -0.395 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.497 -9.835 -2.796 1.00 0.00 C ATOM 0 H THR A 13 -0.440 -7.293 -0.094 1.00 0.00 H new ATOM 0 HA THR A 13 -0.037 -9.514 -2.013 1.00 0.00 H new ATOM 0 HB THR A 13 -2.675 -8.069 -1.580 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.262 -9.937 -0.324 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.555 -10.085 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.323 -9.275 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.908 -10.752 -2.813 1.00 0.00 H new ATOM 156 N TYR A 14 -0.087 -7.943 -3.969 1.00 0.00 N ATOM 157 CA TYR A 14 0.121 -6.988 -5.051 1.00 0.00 C ATOM 158 C TYR A 14 -0.928 -7.182 -6.142 1.00 0.00 C ATOM 159 O TYR A 14 -1.607 -8.207 -6.187 1.00 0.00 O ATOM 160 CB TYR A 14 1.518 -7.169 -5.648 1.00 0.00 C ATOM 161 CG TYR A 14 2.557 -6.948 -4.573 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.008 -5.653 -4.292 1.00 0.00 C ATOM 163 CD2 TYR A 14 3.068 -8.038 -3.860 1.00 0.00 C ATOM 164 CE1 TYR A 14 3.971 -5.448 -3.296 1.00 0.00 C ATOM 165 CE2 TYR A 14 4.032 -7.834 -2.864 1.00 0.00 C ATOM 166 CZ TYR A 14 4.483 -6.538 -2.582 1.00 0.00 C ATOM 167 OH TYR A 14 5.432 -6.337 -1.601 1.00 0.00 O ATOM 0 H TYR A 14 0.034 -8.920 -4.235 1.00 0.00 H new ATOM 0 HA TYR A 14 0.028 -5.981 -4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.619 -8.170 -6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.670 -6.465 -6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.613 -4.812 -4.843 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.719 -9.037 -4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.319 -4.449 -3.079 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.427 -8.675 -2.314 1.00 0.00 H new ATOM 0 HH TYR A 14 5.679 -7.198 -1.203 1.00 0.00 H new ATOM 177 N VAL A 15 -1.055 -6.190 -7.017 1.00 0.00 N ATOM 178 CA VAL A 15 -2.039 -6.257 -8.092 1.00 0.00 C ATOM 179 C VAL A 15 -1.505 -5.584 -9.352 1.00 0.00 C ATOM 180 O VAL A 15 -1.521 -6.170 -10.434 1.00 0.00 O ATOM 181 CB VAL A 15 -3.335 -5.571 -7.655 1.00 0.00 C ATOM 182 CG1 VAL A 15 -3.018 -4.479 -6.633 1.00 0.00 C ATOM 183 CG2 VAL A 15 -4.013 -4.944 -8.876 1.00 0.00 C ATOM 0 H VAL A 15 -0.495 -5.338 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.238 -7.306 -8.312 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.001 -6.306 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.942 -3.991 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.533 -4.924 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.352 -3.742 -7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.937 -4.454 -8.568 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.345 -4.209 -9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.240 -5.722 -9.605 1.00 0.00 H new ATOM 193 N ASN A 16 -1.035 -4.350 -9.204 1.00 0.00 N ATOM 194 CA ASN A 16 -0.527 -3.595 -10.343 1.00 0.00 C ATOM 195 C ASN A 16 0.903 -4.011 -10.669 1.00 0.00 C ATOM 196 O ASN A 16 1.520 -3.479 -11.593 1.00 0.00 O ATOM 197 CB ASN A 16 -0.568 -2.097 -10.035 1.00 0.00 C ATOM 198 CG ASN A 16 -1.998 -1.666 -9.732 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.241 -0.940 -8.674 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.920 -1.999 -10.478 1.00 0.00 N flip ATOM 0 H ASN A 16 -0.995 -3.854 -8.313 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.159 -3.806 -11.206 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.076 -1.875 -9.184 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.181 -1.532 -10.883 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.728 -2.566 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.875 -1.708 -10.270 1.00 0.00 H new ATOM 207 N GLY A 17 1.426 -4.964 -9.906 1.00 0.00 N ATOM 208 CA GLY A 17 2.783 -5.450 -10.129 1.00 0.00 C ATOM 209 C GLY A 17 3.587 -5.441 -8.833 1.00 0.00 C ATOM 210 O GLY A 17 3.234 -4.748 -7.878 1.00 0.00 O ATOM 0 H GLY A 17 0.935 -5.413 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.749 -6.462 -10.533 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.279 -4.826 -10.873 1.00 0.00 H new ATOM 214 N ARG A 18 4.667 -6.215 -8.807 1.00 0.00 N ATOM 215 CA ARG A 18 5.512 -6.289 -7.621 1.00 0.00 C ATOM 216 C ARG A 18 6.687 -5.324 -7.741 1.00 0.00 C ATOM 217 O ARG A 18 7.220 -5.110 -8.830 1.00 0.00 O ATOM 218 CB ARG A 18 6.035 -7.716 -7.442 1.00 0.00 C ATOM 219 CG ARG A 18 4.912 -8.609 -6.911 1.00 0.00 C ATOM 220 CD ARG A 18 3.746 -8.605 -7.900 1.00 0.00 C ATOM 221 NE ARG A 18 4.246 -8.603 -9.271 1.00 0.00 N ATOM 222 CZ ARG A 18 4.811 -9.685 -9.797 1.00 0.00 C ATOM 223 NH1 ARG A 18 4.926 -10.773 -9.087 1.00 0.00 N ATOM 224 NH2 ARG A 18 5.251 -9.658 -11.027 1.00 0.00 N ATOM 0 H ARG A 18 4.976 -6.795 -9.587 1.00 0.00 H new ATOM 0 HA ARG A 18 4.915 -6.010 -6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.402 -8.102 -8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.877 -7.722 -6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.278 -9.626 -6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.578 -8.251 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.118 -9.481 -7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.121 -7.728 -7.732 1.00 0.00 H new ATOM 0 HE ARG A 18 4.160 -7.757 -9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.582 -10.794 -8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.360 -11.603 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.161 -8.807 -11.582 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.685 -10.488 -11.432 1.00 0.00 H new ATOM 238 N PRO A 19 7.092 -4.743 -6.644 1.00 0.00 N ATOM 239 CA PRO A 19 8.238 -3.791 -6.611 1.00 0.00 C ATOM 240 C PRO A 19 9.513 -4.403 -7.186 1.00 0.00 C ATOM 241 O PRO A 19 9.724 -5.613 -7.105 1.00 0.00 O ATOM 242 CB PRO A 19 8.402 -3.482 -5.123 1.00 0.00 C ATOM 243 CG PRO A 19 7.080 -3.794 -4.500 1.00 0.00 C ATOM 244 CD PRO A 19 6.460 -4.935 -5.313 1.00 0.00 C ATOM 0 HA PRO A 19 8.055 -2.905 -7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.195 -4.086 -4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.672 -2.438 -4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.204 -4.087 -3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.432 -2.917 -4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.692 -5.912 -4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.374 -4.858 -5.362 1.00 0.00 H new ATOM 252 N THR A 20 10.358 -3.558 -7.766 1.00 0.00 N ATOM 253 CA THR A 20 11.624 -4.019 -8.323 1.00 0.00 C ATOM 254 C THR A 20 12.681 -4.133 -7.228 1.00 0.00 C ATOM 255 O THR A 20 13.709 -4.785 -7.410 1.00 0.00 O ATOM 256 CB THR A 20 12.106 -3.046 -9.402 1.00 0.00 C ATOM 257 OG1 THR A 20 13.148 -3.654 -10.153 1.00 0.00 O ATOM 258 CG2 THR A 20 12.629 -1.769 -8.742 1.00 0.00 C ATOM 0 H THR A 20 10.191 -2.556 -7.862 1.00 0.00 H new ATOM 0 HA THR A 20 11.468 -5.003 -8.766 1.00 0.00 H new ATOM 0 HB THR A 20 11.277 -2.797 -10.065 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.457 -3.033 -10.846 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.972 -1.076 -9.511 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.830 -1.304 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.459 -2.015 -8.079 1.00 0.00 H new ATOM 266 N PHE A 21 12.420 -3.494 -6.093 1.00 0.00 N ATOM 267 CA PHE A 21 13.350 -3.537 -4.971 1.00 0.00 C ATOM 268 C PHE A 21 12.756 -4.334 -3.814 1.00 0.00 C ATOM 269 O PHE A 21 11.543 -4.336 -3.607 1.00 0.00 O ATOM 270 CB PHE A 21 13.669 -2.115 -4.503 1.00 0.00 C ATOM 271 CG PHE A 21 14.691 -2.166 -3.393 1.00 0.00 C ATOM 272 CD1 PHE A 21 16.051 -2.297 -3.699 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.278 -2.082 -2.058 1.00 0.00 C ATOM 274 CE1 PHE A 21 16.998 -2.344 -2.670 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.225 -2.130 -1.029 1.00 0.00 C ATOM 276 CZ PHE A 21 16.585 -2.261 -1.334 1.00 0.00 C ATOM 0 H PHE A 21 11.578 -2.943 -5.926 1.00 0.00 H new ATOM 0 HA PHE A 21 14.267 -4.025 -5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 21 14.050 -1.524 -5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.761 -1.624 -4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.369 -2.362 -4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.229 -1.980 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.047 -2.444 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.907 -2.066 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.316 -2.298 -0.539 1.00 0.00 H new ATOM 286 N VAL A 22 13.619 -5.012 -3.063 1.00 0.00 N ATOM 287 CA VAL A 22 13.166 -5.813 -1.932 1.00 0.00 C ATOM 288 C VAL A 22 14.040 -5.556 -0.709 1.00 0.00 C ATOM 289 O VAL A 22 15.015 -4.807 -0.777 1.00 0.00 O ATOM 290 CB VAL A 22 13.214 -7.299 -2.291 1.00 0.00 C ATOM 291 CG1 VAL A 22 14.670 -7.736 -2.464 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.567 -8.116 -1.171 1.00 0.00 C ATOM 0 H VAL A 22 14.627 -5.023 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 22 12.140 -5.529 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 22 12.672 -7.465 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.704 -8.795 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.132 -7.155 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.213 -7.570 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.601 -9.175 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.109 -7.950 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.529 -7.806 -1.047 1.00 0.00 H new ATOM 302 N GLY A 23 13.685 -6.181 0.409 1.00 0.00 N ATOM 303 CA GLY A 23 14.441 -6.006 1.644 1.00 0.00 C ATOM 304 C GLY A 23 14.168 -7.146 2.617 1.00 0.00 C ATOM 305 O GLY A 23 14.592 -8.280 2.394 1.00 0.00 O ATOM 0 H GLY A 23 12.885 -6.809 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.507 -5.962 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.174 -5.056 2.107 1.00 0.00 H new ATOM 309 N GLU A 24 13.457 -6.839 3.697 1.00 0.00 N ATOM 310 CA GLU A 24 13.129 -7.850 4.696 1.00 0.00 C ATOM 311 C GLU A 24 11.812 -7.512 5.390 1.00 0.00 C ATOM 312 O GLU A 24 10.855 -8.283 5.336 1.00 0.00 O ATOM 313 CB GLU A 24 14.247 -7.941 5.735 1.00 0.00 C ATOM 314 CG GLU A 24 13.987 -9.129 6.663 1.00 0.00 C ATOM 315 CD GLU A 24 15.085 -9.216 7.719 1.00 0.00 C ATOM 316 OE1 GLU A 24 16.018 -8.436 7.638 1.00 0.00 O ATOM 317 OE2 GLU A 24 14.974 -10.061 8.592 1.00 0.00 O ATOM 0 H GLU A 24 13.099 -5.906 3.902 1.00 0.00 H new ATOM 0 HA GLU A 24 13.024 -8.810 4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.210 -8.058 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.296 -7.018 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.015 -9.019 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.953 -10.052 6.085 1.00 0.00 H new ATOM 324 N GLU A 25 11.773 -6.354 6.041 1.00 0.00 N ATOM 325 CA GLU A 25 10.564 -5.916 6.728 1.00 0.00 C ATOM 326 C GLU A 25 9.675 -5.109 5.787 1.00 0.00 C ATOM 327 O GLU A 25 10.013 -3.989 5.406 1.00 0.00 O ATOM 328 CB GLU A 25 10.934 -5.060 7.941 1.00 0.00 C ATOM 329 CG GLU A 25 9.679 -4.782 8.771 1.00 0.00 C ATOM 330 CD GLU A 25 10.020 -3.862 9.939 1.00 0.00 C ATOM 331 OE1 GLU A 25 11.173 -3.477 10.047 1.00 0.00 O ATOM 332 OE2 GLU A 25 9.123 -3.556 10.707 1.00 0.00 O ATOM 0 H GLU A 25 12.558 -5.706 6.107 1.00 0.00 H new ATOM 0 HA GLU A 25 10.017 -6.799 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.678 -5.574 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.382 -4.122 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.914 -4.322 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.265 -5.719 9.144 1.00 0.00 H new ATOM 339 N VAL A 26 8.536 -5.687 5.417 1.00 0.00 N ATOM 340 CA VAL A 26 7.612 -5.018 4.509 1.00 0.00 C ATOM 341 C VAL A 26 6.301 -4.697 5.219 1.00 0.00 C ATOM 342 O VAL A 26 5.750 -5.535 5.933 1.00 0.00 O ATOM 343 CB VAL A 26 7.335 -5.908 3.297 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.704 -5.072 2.183 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.650 -6.511 2.797 1.00 0.00 C ATOM 0 H VAL A 26 8.233 -6.610 5.729 1.00 0.00 H new ATOM 0 HA VAL A 26 8.069 -4.086 4.177 1.00 0.00 H new ATOM 0 HB VAL A 26 6.652 -6.708 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.507 -5.707 1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.768 -4.640 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.387 -4.272 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.454 -7.146 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.332 -5.710 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.102 -7.107 3.590 1.00 0.00 H new ATOM 355 N THR A 27 5.807 -3.480 5.016 1.00 0.00 N ATOM 356 CA THR A 27 4.556 -3.062 5.637 1.00 0.00 C ATOM 357 C THR A 27 3.680 -2.324 4.629 1.00 0.00 C ATOM 358 O THR A 27 4.119 -2.013 3.523 1.00 0.00 O ATOM 359 CB THR A 27 4.847 -2.148 6.831 1.00 0.00 C ATOM 360 OG1 THR A 27 5.054 -0.821 6.368 1.00 0.00 O ATOM 361 CG2 THR A 27 6.099 -2.637 7.559 1.00 0.00 C ATOM 0 H THR A 27 6.250 -2.771 4.431 1.00 0.00 H new ATOM 0 HA THR A 27 4.026 -3.950 5.981 1.00 0.00 H new ATOM 0 HB THR A 27 4.001 -2.167 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.239 -0.234 7.130 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.304 -1.985 8.408 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.939 -3.655 7.914 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.948 -2.620 6.875 1.00 0.00 H new ATOM 369 N LYS A 28 2.441 -2.048 5.020 1.00 0.00 N ATOM 370 CA LYS A 28 1.515 -1.340 4.143 1.00 0.00 C ATOM 371 C LYS A 28 1.113 -0.002 4.755 1.00 0.00 C ATOM 372 O LYS A 28 0.202 0.066 5.580 1.00 0.00 O ATOM 373 CB LYS A 28 0.266 -2.191 3.905 1.00 0.00 C ATOM 374 CG LYS A 28 -0.133 -2.887 5.207 1.00 0.00 C ATOM 375 CD LYS A 28 -1.394 -3.723 4.974 1.00 0.00 C ATOM 376 CE LYS A 28 -1.776 -4.442 6.270 1.00 0.00 C ATOM 377 NZ LYS A 28 -1.707 -3.485 7.409 1.00 0.00 N ATOM 0 H LYS A 28 2.057 -2.301 5.930 1.00 0.00 H new ATOM 0 HA LYS A 28 2.015 -1.155 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.552 -1.564 3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.460 -2.932 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.680 -3.525 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.313 -2.147 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.213 -3.082 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.220 -4.449 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.782 -4.853 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.102 -5.281 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.047 -3.950 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.723 -3.178 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.303 -2.657 7.204 1.00 0.00 H new ATOM 391 N GLY A 29 1.799 1.060 4.345 1.00 0.00 N ATOM 392 CA GLY A 29 1.503 2.392 4.857 1.00 0.00 C ATOM 393 C GLY A 29 -0.001 2.591 5.021 1.00 0.00 C ATOM 394 O GLY A 29 -0.500 2.721 6.140 1.00 0.00 O ATOM 0 H GLY A 29 2.558 1.025 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.000 2.536 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.901 3.144 4.176 1.00 0.00 H new ATOM 398 N PHE A 30 -0.715 2.614 3.902 1.00 0.00 N ATOM 399 CA PHE A 30 -2.162 2.791 3.933 1.00 0.00 C ATOM 400 C PHE A 30 -2.858 1.469 4.237 1.00 0.00 C ATOM 401 O PHE A 30 -2.736 0.504 3.484 1.00 0.00 O ATOM 402 CB PHE A 30 -2.651 3.330 2.589 1.00 0.00 C ATOM 403 CG PHE A 30 -1.945 4.628 2.280 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.420 5.830 2.820 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.815 4.631 1.454 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.764 7.034 2.533 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.160 5.834 1.167 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.634 7.035 1.707 1.00 0.00 C ATOM 0 H PHE A 30 -0.319 2.513 2.967 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.404 3.505 4.720 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.458 2.602 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.729 3.488 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.292 5.829 3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.448 3.704 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.130 7.961 2.949 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.711 5.836 0.529 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.128 7.963 1.486 1.00 0.00 H new ATOM 418 N GLU A 31 -3.589 1.433 5.348 1.00 0.00 N ATOM 419 CA GLU A 31 -4.303 0.224 5.742 1.00 0.00 C ATOM 420 C GLU A 31 -5.454 -0.057 4.783 1.00 0.00 C ATOM 421 O GLU A 31 -5.806 -1.212 4.540 1.00 0.00 O ATOM 422 CB GLU A 31 -4.846 0.380 7.164 1.00 0.00 C ATOM 423 CG GLU A 31 -3.680 0.517 8.144 1.00 0.00 C ATOM 424 CD GLU A 31 -2.883 -0.782 8.194 1.00 0.00 C ATOM 425 OE1 GLU A 31 -3.406 -1.791 7.749 1.00 0.00 O ATOM 426 OE2 GLU A 31 -1.762 -0.748 8.675 1.00 0.00 O ATOM 0 H GLU A 31 -3.702 2.221 5.986 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.607 -0.614 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.490 1.257 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.457 -0.483 7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.032 1.339 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.056 0.760 9.138 1.00 0.00 H new ATOM 433 N LYS A 32 -6.037 1.007 4.239 1.00 0.00 N ATOM 434 CA LYS A 32 -7.153 0.863 3.310 1.00 0.00 C ATOM 435 C LYS A 32 -6.700 0.159 2.035 1.00 0.00 C ATOM 436 O LYS A 32 -5.513 0.148 1.709 1.00 0.00 O ATOM 437 CB LYS A 32 -7.723 2.238 2.961 1.00 0.00 C ATOM 438 CG LYS A 32 -9.121 2.075 2.361 1.00 0.00 C ATOM 439 CD LYS A 32 -9.654 3.441 1.927 1.00 0.00 C ATOM 440 CE LYS A 32 -11.139 3.323 1.578 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.919 3.042 2.816 1.00 0.00 N ATOM 0 H LYS A 32 -5.758 1.971 4.423 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.925 0.262 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.770 2.861 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.069 2.745 2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.085 1.399 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.792 1.627 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.514 4.168 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.095 3.804 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.489 4.246 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.290 2.525 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.894 3.385 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.932 2.017 2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.477 3.527 3.623 1.00 0.00 H new ATOM 455 N ASP A 33 -7.653 -0.427 1.318 1.00 0.00 N ATOM 456 CA ASP A 33 -7.341 -1.129 0.078 1.00 0.00 C ATOM 457 C ASP A 33 -6.277 -2.195 0.322 1.00 0.00 C ATOM 458 O ASP A 33 -5.903 -2.464 1.463 1.00 0.00 O ATOM 459 CB ASP A 33 -6.841 -0.136 -0.971 1.00 0.00 C ATOM 460 CG ASP A 33 -7.965 0.817 -1.365 1.00 0.00 C ATOM 461 OD1 ASP A 33 -9.105 0.520 -1.050 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.668 1.831 -1.977 1.00 0.00 O ATOM 0 H ASP A 33 -8.641 -0.430 1.572 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.248 -1.613 -0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.996 0.428 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.483 -0.672 -1.850 1.00 0.00 H new ATOM 467 N ASN A 34 -5.794 -2.799 -0.759 1.00 0.00 N ATOM 468 CA ASN A 34 -4.779 -3.840 -0.650 1.00 0.00 C ATOM 469 C ASN A 34 -3.575 -3.334 0.139 1.00 0.00 C ATOM 470 O ASN A 34 -2.952 -4.085 0.890 1.00 0.00 O ATOM 471 CB ASN A 34 -4.328 -4.279 -2.045 1.00 0.00 C ATOM 472 CG ASN A 34 -3.406 -5.489 -1.938 1.00 0.00 C ATOM 473 OD1 ASN A 34 -3.028 -6.107 -3.023 1.00 0.00 O flip ATOM 474 ND2 ASN A 34 -3.019 -5.880 -0.837 1.00 0.00 N flip ATOM 0 H ASN A 34 -6.086 -2.588 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.213 -4.690 -0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.196 -4.526 -2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.810 -3.460 -2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.316 -5.395 0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.401 -6.689 -0.771 1.00 0.00 H new ATOM 481 N GLY A 35 -3.254 -2.056 -0.035 1.00 0.00 N ATOM 482 CA GLY A 35 -2.122 -1.460 0.665 1.00 0.00 C ATOM 483 C GLY A 35 -1.634 -0.209 -0.056 1.00 0.00 C ATOM 484 O GLY A 35 -1.006 0.662 0.547 1.00 0.00 O ATOM 0 H GLY A 35 -3.758 -1.417 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.412 -1.207 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.310 -2.184 0.735 1.00 0.00 H new ATOM 488 N LEU A 36 -1.928 -0.124 -1.348 1.00 0.00 N ATOM 489 CA LEU A 36 -1.514 1.026 -2.143 1.00 0.00 C ATOM 490 C LEU A 36 0.007 1.152 -2.154 1.00 0.00 C ATOM 491 O LEU A 36 0.661 0.804 -3.136 1.00 0.00 O ATOM 492 CB LEU A 36 -2.130 2.304 -1.571 1.00 0.00 C ATOM 493 CG LEU A 36 -3.615 2.072 -1.285 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.258 3.383 -0.829 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.308 1.582 -2.558 1.00 0.00 C ATOM 0 H LEU A 36 -2.448 -0.833 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.862 0.881 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.613 2.591 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.009 3.126 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.721 1.323 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.316 3.218 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.765 3.734 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.152 4.132 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.366 1.416 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.202 2.332 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.851 0.648 -2.885 1.00 0.00 H new ATOM 507 N LEU A 37 0.562 1.653 -1.055 1.00 0.00 N ATOM 508 CA LEU A 37 2.008 1.819 -0.950 1.00 0.00 C ATOM 509 C LEU A 37 2.581 0.879 0.105 1.00 0.00 C ATOM 510 O LEU A 37 2.114 0.847 1.243 1.00 0.00 O ATOM 511 CB LEU A 37 2.343 3.265 -0.580 1.00 0.00 C ATOM 512 CG LEU A 37 3.861 3.451 -0.570 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.356 3.684 -1.998 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.222 4.660 0.297 1.00 0.00 C ATOM 0 H LEU A 37 0.038 1.949 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 37 2.452 1.578 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.887 3.949 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.930 3.506 0.400 1.00 0.00 H new ATOM 0 HG LEU A 37 4.333 2.557 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.438 3.817 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.100 2.824 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.884 4.578 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.304 4.793 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.750 5.554 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.870 4.496 1.315 1.00 0.00 H new ATOM 526 N PHE A 38 3.596 0.112 -0.283 1.00 0.00 N ATOM 527 CA PHE A 38 4.234 -0.819 0.640 1.00 0.00 C ATOM 528 C PHE A 38 5.636 -0.339 1.000 1.00 0.00 C ATOM 529 O PHE A 38 6.461 -0.091 0.122 1.00 0.00 O ATOM 530 CB PHE A 38 4.314 -2.209 0.007 1.00 0.00 C ATOM 531 CG PHE A 38 2.927 -2.674 -0.367 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.098 -3.252 0.602 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.470 -2.526 -1.682 1.00 0.00 C ATOM 534 CE1 PHE A 38 0.812 -3.681 0.255 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.184 -2.956 -2.028 1.00 0.00 C ATOM 536 CZ PHE A 38 0.355 -3.534 -1.060 1.00 0.00 C ATOM 0 H PHE A 38 3.991 0.117 -1.223 1.00 0.00 H new ATOM 0 HA PHE A 38 3.635 -0.869 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.950 -2.181 -0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.769 -2.912 0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.451 -3.367 1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.110 -2.080 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.172 -4.126 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.831 -2.842 -3.042 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.637 -3.867 -1.327 1.00 0.00 H new ATOM 546 N ARG A 39 5.897 -0.209 2.296 1.00 0.00 N ATOM 547 CA ARG A 39 7.202 0.246 2.760 1.00 0.00 C ATOM 548 C ARG A 39 8.212 -0.898 2.729 1.00 0.00 C ATOM 549 O ARG A 39 7.963 -1.973 3.277 1.00 0.00 O ATOM 550 CB ARG A 39 7.090 0.792 4.184 1.00 0.00 C ATOM 551 CG ARG A 39 8.427 1.412 4.600 1.00 0.00 C ATOM 552 CD ARG A 39 8.296 2.017 5.998 1.00 0.00 C ATOM 553 NE ARG A 39 8.113 0.964 6.989 1.00 0.00 N ATOM 554 CZ ARG A 39 7.777 1.251 8.243 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.604 2.493 8.603 1.00 0.00 N ATOM 556 NH2 ARG A 39 7.619 0.291 9.112 1.00 0.00 N ATOM 0 H ARG A 39 5.228 -0.411 3.039 1.00 0.00 H new ATOM 0 HA ARG A 39 7.546 1.037 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.298 1.539 4.237 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.819 -0.009 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.210 0.653 4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.721 2.181 3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.187 2.598 6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.450 2.704 6.027 1.00 0.00 H new ATOM 0 HE ARG A 39 8.245 -0.010 6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.726 3.243 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.346 2.714 9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.753 -0.680 8.829 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.361 0.511 10.074 1.00 0.00 H new ATOM 570 N ILE A 40 9.350 -0.658 2.087 1.00 0.00 N ATOM 571 CA ILE A 40 10.391 -1.674 1.993 1.00 0.00 C ATOM 572 C ILE A 40 11.628 -1.245 2.777 1.00 0.00 C ATOM 573 O ILE A 40 12.126 -0.132 2.609 1.00 0.00 O ATOM 574 CB ILE A 40 10.767 -1.904 0.528 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.496 -2.121 -0.295 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.663 -3.138 0.417 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.853 -2.171 -1.782 1.00 0.00 C ATOM 0 H ILE A 40 9.574 0.224 1.627 1.00 0.00 H new ATOM 0 HA ILE A 40 10.008 -2.602 2.418 1.00 0.00 H new ATOM 0 HB ILE A 40 11.302 -1.033 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.010 -3.050 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.787 -1.315 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.930 -3.301 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.569 -2.984 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.130 -4.010 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.947 -2.326 -2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.320 -1.231 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.547 -2.992 -1.962 1.00 0.00 H new ATOM 589 N VAL A 41 12.118 -2.136 3.633 1.00 0.00 N ATOM 590 CA VAL A 41 13.287 -1.831 4.450 1.00 0.00 C ATOM 591 C VAL A 41 14.283 -2.986 4.413 1.00 0.00 C ATOM 592 O VAL A 41 13.924 -4.136 4.664 1.00 0.00 O ATOM 593 CB VAL A 41 12.861 -1.568 5.895 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.072 -1.120 6.713 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.796 -0.469 5.918 1.00 0.00 C ATOM 0 H VAL A 41 11.728 -3.067 3.778 1.00 0.00 H new ATOM 0 HA VAL A 41 13.766 -0.940 4.045 1.00 0.00 H new ATOM 0 HB VAL A 41 12.452 -2.482 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.767 -0.933 7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.832 -1.901 6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.482 -0.206 6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.491 -0.280 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.206 0.444 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.931 -0.788 5.336 1.00 0.00 H new ATOM 605 N ASN A 42 15.535 -2.671 4.098 1.00 0.00 N ATOM 606 CA ASN A 42 16.580 -3.687 4.052 1.00 0.00 C ATOM 607 C ASN A 42 17.544 -3.518 5.223 1.00 0.00 C ATOM 608 O ASN A 42 18.412 -2.645 5.204 1.00 0.00 O ATOM 609 CB ASN A 42 17.351 -3.584 2.735 1.00 0.00 C ATOM 610 CG ASN A 42 18.071 -4.897 2.447 1.00 0.00 C ATOM 611 OD1 ASN A 42 19.191 -4.893 1.936 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.493 -6.027 2.747 1.00 0.00 N ATOM 0 H ASN A 42 15.849 -1.727 3.872 1.00 0.00 H new ATOM 0 HA ASN A 42 16.110 -4.668 4.122 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.666 -3.349 1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.072 -2.769 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.969 -6.909 2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.565 -6.029 3.170 1.00 0.00 H new ATOM 619 N LYS A 43 17.383 -4.356 6.241 1.00 0.00 N ATOM 620 CA LYS A 43 18.224 -4.271 7.430 1.00 0.00 C ATOM 621 C LYS A 43 19.701 -4.314 7.048 1.00 0.00 C ATOM 622 O LYS A 43 20.541 -3.710 7.715 1.00 0.00 O ATOM 623 CB LYS A 43 17.907 -5.430 8.377 1.00 0.00 C ATOM 624 CG LYS A 43 16.483 -5.275 8.913 1.00 0.00 C ATOM 625 CD LYS A 43 16.235 -6.315 10.009 1.00 0.00 C ATOM 626 CE LYS A 43 14.765 -6.270 10.430 1.00 0.00 C ATOM 627 NZ LYS A 43 13.908 -6.697 9.287 1.00 0.00 N ATOM 0 H LYS A 43 16.683 -5.097 6.268 1.00 0.00 H new ATOM 0 HA LYS A 43 18.018 -3.325 7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.008 -6.380 7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.618 -5.444 9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.340 -4.270 9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.763 -5.403 8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.490 -7.310 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.877 -6.115 10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.601 -6.924 11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.496 -5.261 10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.393 -5.875 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.505 -7.101 8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.228 -7.413 9.612 1.00 0.00 H new ATOM 641 N LYS A 44 20.010 -5.031 5.974 1.00 0.00 N ATOM 642 CA LYS A 44 21.390 -5.152 5.519 1.00 0.00 C ATOM 643 C LYS A 44 22.022 -3.774 5.349 1.00 0.00 C ATOM 644 O LYS A 44 22.942 -3.407 6.080 1.00 0.00 O ATOM 645 CB LYS A 44 21.438 -5.905 4.190 1.00 0.00 C ATOM 646 CG LYS A 44 20.851 -7.306 4.374 1.00 0.00 C ATOM 647 CD LYS A 44 21.226 -8.182 3.178 1.00 0.00 C ATOM 648 CE LYS A 44 20.644 -7.576 1.899 1.00 0.00 C ATOM 649 NZ LYS A 44 20.639 -8.603 0.819 1.00 0.00 N ATOM 0 H LYS A 44 19.329 -5.534 5.405 1.00 0.00 H new ATOM 0 HA LYS A 44 21.952 -5.706 6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.876 -5.361 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 44 22.467 -5.974 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 44 21.228 -7.751 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.767 -7.247 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 44 22.310 -8.259 3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 44 20.844 -9.193 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.630 -7.220 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 44 21.234 -6.713 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.243 -8.191 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 21.612 -8.922 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.058 -9.414 1.113 1.00 0.00 H new ATOM 663 N LYS A 45 21.522 -3.015 4.379 1.00 0.00 N ATOM 664 CA LYS A 45 22.046 -1.679 4.121 1.00 0.00 C ATOM 665 C LYS A 45 21.221 -0.629 4.859 1.00 0.00 C ATOM 666 O LYS A 45 21.611 0.535 4.942 1.00 0.00 O ATOM 667 CB LYS A 45 22.021 -1.390 2.619 1.00 0.00 C ATOM 668 CG LYS A 45 22.676 -2.550 1.866 1.00 0.00 C ATOM 669 CD LYS A 45 24.149 -2.654 2.268 1.00 0.00 C ATOM 670 CE LYS A 45 24.905 -3.479 1.225 1.00 0.00 C ATOM 671 NZ LYS A 45 26.216 -3.909 1.787 1.00 0.00 N ATOM 0 H LYS A 45 20.760 -3.300 3.763 1.00 0.00 H new ATOM 0 HA LYS A 45 23.074 -1.635 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 45 20.994 -1.256 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.550 -0.460 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.160 -3.483 2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.592 -2.393 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 45 24.587 -1.659 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.237 -3.120 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 45 24.316 -4.351 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 45 25.060 -2.889 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.730 -4.470 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 26.777 -3.071 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 26.057 -4.487 2.637 1.00 0.00 H new ATOM 685 N LYS A 46 20.080 -1.048 5.394 1.00 0.00 N ATOM 686 CA LYS A 46 19.204 -0.135 6.120 1.00 0.00 C ATOM 687 C LYS A 46 18.680 0.959 5.195 1.00 0.00 C ATOM 688 O LYS A 46 18.424 2.082 5.630 1.00 0.00 O ATOM 689 CB LYS A 46 19.965 0.502 7.285 1.00 0.00 C ATOM 690 CG LYS A 46 19.308 0.099 8.606 1.00 0.00 C ATOM 691 CD LYS A 46 17.944 0.781 8.728 1.00 0.00 C ATOM 692 CE LYS A 46 17.509 0.795 10.195 1.00 0.00 C ATOM 693 NZ LYS A 46 17.506 -0.597 10.725 1.00 0.00 N ATOM 0 H LYS A 46 19.741 -2.008 5.340 1.00 0.00 H new ATOM 0 HA LYS A 46 18.358 -0.704 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.006 0.181 7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.965 1.587 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.190 -0.984 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.945 0.385 9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.999 1.800 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.206 0.253 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.186 1.417 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.515 1.233 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.936 -0.636 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.099 -1.238 10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.481 -0.890 10.937 1.00 0.00 H new ATOM 707 N GLN A 47 18.522 0.624 3.919 1.00 0.00 N ATOM 708 CA GLN A 47 18.030 1.591 2.943 1.00 0.00 C ATOM 709 C GLN A 47 16.528 1.424 2.736 1.00 0.00 C ATOM 710 O GLN A 47 16.048 0.324 2.461 1.00 0.00 O ATOM 711 CB GLN A 47 18.756 1.406 1.609 1.00 0.00 C ATOM 712 CG GLN A 47 18.487 0.000 1.070 1.00 0.00 C ATOM 713 CD GLN A 47 19.499 -0.344 -0.016 1.00 0.00 C ATOM 714 OE1 GLN A 47 20.356 0.560 -0.406 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 19.512 -1.466 -0.522 1.00 0.00 N flip ATOM 0 H GLN A 47 18.725 -0.300 3.538 1.00 0.00 H new ATOM 0 HA GLN A 47 18.224 2.594 3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.416 2.153 0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.827 1.557 1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.549 -0.727 1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.476 -0.057 0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.842 -2.171 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.193 -1.691 -1.247 1.00 0.00 H new ATOM 724 N TRP A 48 15.792 2.522 2.871 1.00 0.00 N ATOM 725 CA TRP A 48 14.343 2.483 2.703 1.00 0.00 C ATOM 726 C TRP A 48 13.965 2.710 1.243 1.00 0.00 C ATOM 727 O TRP A 48 14.620 3.473 0.533 1.00 0.00 O ATOM 728 CB TRP A 48 13.688 3.557 3.575 1.00 0.00 C ATOM 729 CG TRP A 48 13.779 3.159 5.012 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.570 2.176 5.500 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.067 3.715 6.157 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.391 2.093 6.870 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.473 3.022 7.322 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.117 4.743 6.295 1.00 0.00 C ATOM 735 CZ2 TRP A 48 12.957 3.337 8.578 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.596 5.064 7.559 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.015 4.363 8.699 1.00 0.00 C ATOM 0 H TRP A 48 16.170 3.443 3.094 1.00 0.00 H new ATOM 0 HA TRP A 48 13.987 1.499 3.009 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.182 4.516 3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.644 3.686 3.288 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.234 1.556 4.915 1.00 0.00 H new ATOM 0 HE1 TRP A 48 14.877 1.428 7.472 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.786 5.289 5.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.283 2.792 9.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 10.868 5.856 7.654 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.611 4.615 9.668 1.00 0.00 H new ATOM 748 N ALA A 49 12.902 2.043 0.804 1.00 0.00 N ATOM 749 CA ALA A 49 12.436 2.187 -0.571 1.00 0.00 C ATOM 750 C ALA A 49 10.912 2.137 -0.624 1.00 0.00 C ATOM 751 O ALA A 49 10.279 1.422 0.152 1.00 0.00 O ATOM 752 CB ALA A 49 13.014 1.069 -1.441 1.00 0.00 C ATOM 0 H ALA A 49 12.351 1.402 1.375 1.00 0.00 H new ATOM 0 HA ALA A 49 12.773 3.152 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.660 1.185 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.103 1.121 -1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.691 0.103 -1.053 1.00 0.00 H new ATOM 758 N TYR A 50 10.329 2.905 -1.539 1.00 0.00 N ATOM 759 CA TYR A 50 8.878 2.945 -1.673 1.00 0.00 C ATOM 760 C TYR A 50 8.454 2.555 -3.086 1.00 0.00 C ATOM 761 O TYR A 50 9.082 2.956 -4.066 1.00 0.00 O ATOM 762 CB TYR A 50 8.361 4.349 -1.353 1.00 0.00 C ATOM 763 CG TYR A 50 8.506 4.610 0.126 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.650 3.979 1.036 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.497 5.484 0.589 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.784 4.221 2.408 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.632 5.726 1.961 1.00 0.00 C ATOM 768 CZ TYR A 50 8.776 5.095 2.871 1.00 0.00 C ATOM 769 OH TYR A 50 8.909 5.333 4.224 1.00 0.00 O ATOM 0 H TYR A 50 10.834 3.503 -2.193 1.00 0.00 H new ATOM 0 HA TYR A 50 8.451 2.231 -0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.919 5.093 -1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.316 4.440 -1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.885 3.305 0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.157 5.972 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.123 3.734 3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.397 6.400 2.318 1.00 0.00 H new ATOM 0 HH TYR A 50 9.645 5.962 4.375 1.00 0.00 H new ATOM 779 N TYR A 51 7.385 1.772 -3.180 1.00 0.00 N ATOM 780 CA TYR A 51 6.874 1.342 -4.477 1.00 0.00 C ATOM 781 C TYR A 51 5.411 1.741 -4.633 1.00 0.00 C ATOM 782 O TYR A 51 4.561 1.344 -3.836 1.00 0.00 O ATOM 783 CB TYR A 51 7.011 -0.176 -4.614 1.00 0.00 C ATOM 784 CG TYR A 51 6.175 -0.655 -5.776 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.706 -0.643 -7.071 1.00 0.00 C ATOM 786 CD2 TYR A 51 4.869 -1.109 -5.559 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.932 -1.087 -8.149 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.094 -1.553 -6.638 1.00 0.00 C ATOM 789 CZ TYR A 51 4.625 -1.542 -7.933 1.00 0.00 C ATOM 790 OH TYR A 51 3.862 -1.980 -8.996 1.00 0.00 O ATOM 0 H TYR A 51 6.858 1.424 -2.379 1.00 0.00 H new ATOM 0 HA TYR A 51 7.457 1.830 -5.258 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.056 -0.445 -4.769 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.689 -0.665 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.713 -0.291 -7.238 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.459 -1.117 -4.560 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.343 -1.079 -9.148 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.086 -1.904 -6.471 1.00 0.00 H new ATOM 0 HH TYR A 51 3.422 -2.823 -8.758 1.00 0.00 H new ATOM 800 N ASN A 52 5.123 2.531 -5.664 1.00 0.00 N ATOM 801 CA ASN A 52 3.759 2.987 -5.905 1.00 0.00 C ATOM 802 C ASN A 52 2.985 1.960 -6.726 1.00 0.00 C ATOM 803 O ASN A 52 3.316 1.697 -7.882 1.00 0.00 O ATOM 804 CB ASN A 52 3.778 4.323 -6.649 1.00 0.00 C ATOM 805 CG ASN A 52 2.353 4.764 -6.966 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.401 4.033 -6.692 1.00 0.00 O ATOM 807 ND2 ASN A 52 2.149 5.922 -7.531 1.00 0.00 N ATOM 0 H ASN A 52 5.810 2.866 -6.340 1.00 0.00 H new ATOM 0 HA ASN A 52 3.265 3.113 -4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.275 5.080 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.351 4.227 -7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.199 6.224 -7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.940 6.526 -7.757 1.00 0.00 H new ATOM 814 N ASP A 53 1.952 1.384 -6.120 1.00 0.00 N ATOM 815 CA ASP A 53 1.134 0.388 -6.803 1.00 0.00 C ATOM 816 C ASP A 53 -0.006 1.062 -7.559 1.00 0.00 C ATOM 817 O ASP A 53 -0.368 0.645 -8.660 1.00 0.00 O ATOM 818 CB ASP A 53 0.563 -0.604 -5.790 1.00 0.00 C ATOM 819 CG ASP A 53 -0.147 -1.742 -6.517 1.00 0.00 C ATOM 820 OD1 ASP A 53 0.539 -2.628 -7.000 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.364 -1.710 -6.579 1.00 0.00 O ATOM 0 H ASP A 53 1.663 1.588 -5.163 1.00 0.00 H new ATOM 0 HA ASP A 53 1.763 -0.146 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.364 -1.003 -5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.134 -0.096 -5.124 1.00 0.00 H new ATOM 826 N THR A 54 -0.570 2.107 -6.961 1.00 0.00 N ATOM 827 CA THR A 54 -1.671 2.831 -7.584 1.00 0.00 C ATOM 828 C THR A 54 -1.249 3.380 -8.944 1.00 0.00 C ATOM 829 O THR A 54 -0.251 4.091 -9.054 1.00 0.00 O ATOM 830 CB THR A 54 -2.115 3.984 -6.683 1.00 0.00 C ATOM 831 OG1 THR A 54 -0.971 4.685 -6.215 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.899 3.432 -5.492 1.00 0.00 C ATOM 0 H THR A 54 -0.284 2.469 -6.051 1.00 0.00 H new ATOM 0 HA THR A 54 -2.502 2.140 -7.725 1.00 0.00 H new ATOM 0 HB THR A 54 -2.752 4.663 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.211 4.501 -6.805 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.215 4.255 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.777 2.895 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.265 2.752 -4.923 1.00 0.00 H new ATOM 840 N THR A 55 -2.015 3.043 -9.976 1.00 0.00 N ATOM 841 CA THR A 55 -1.710 3.507 -11.325 1.00 0.00 C ATOM 842 C THR A 55 -2.584 4.702 -11.692 1.00 0.00 C ATOM 843 O THR A 55 -2.713 5.052 -12.865 1.00 0.00 O ATOM 844 CB THR A 55 -1.939 2.377 -12.330 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.239 1.836 -12.142 1.00 0.00 O ATOM 846 CG2 THR A 55 -0.893 1.282 -12.117 1.00 0.00 C ATOM 0 H THR A 55 -2.845 2.455 -9.906 1.00 0.00 H new ATOM 0 HA THR A 55 -0.665 3.814 -11.355 1.00 0.00 H new ATOM 0 HB THR A 55 -1.850 2.768 -13.344 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.389 1.113 -12.786 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.057 0.477 -12.834 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.104 1.698 -12.261 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.979 0.889 -11.104 1.00 0.00 H new ATOM 854 N GLN A 56 -3.183 5.324 -10.681 1.00 0.00 N ATOM 855 CA GLN A 56 -4.041 6.482 -10.910 1.00 0.00 C ATOM 856 C GLN A 56 -3.650 7.631 -9.987 1.00 0.00 C ATOM 857 O GLN A 56 -4.045 8.777 -10.205 1.00 0.00 O ATOM 858 CB GLN A 56 -5.503 6.105 -10.665 1.00 0.00 C ATOM 859 CG GLN A 56 -5.576 5.008 -9.601 1.00 0.00 C ATOM 860 CD GLN A 56 -5.223 3.659 -10.218 1.00 0.00 C ATOM 861 OE1 GLN A 56 -4.616 2.759 -9.494 1.00 0.00 O flip ATOM 862 NE2 GLN A 56 -5.508 3.420 -11.392 1.00 0.00 N flip ATOM 0 H GLN A 56 -3.092 5.049 -9.703 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.916 6.803 -11.944 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.066 6.980 -10.340 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.960 5.759 -11.592 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.890 5.235 -8.785 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.578 4.971 -9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.983 4.126 -11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.270 2.516 -11.801 1.00 0.00 H new ATOM 871 N TYR A 57 -2.872 7.317 -8.955 1.00 0.00 N ATOM 872 CA TYR A 57 -2.435 8.335 -8.006 1.00 0.00 C ATOM 873 C TYR A 57 -0.944 8.193 -7.715 1.00 0.00 C ATOM 874 O TYR A 57 -0.399 7.089 -7.737 1.00 0.00 O ATOM 875 CB TYR A 57 -3.225 8.204 -6.703 1.00 0.00 C ATOM 876 CG TYR A 57 -4.632 7.749 -7.009 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.489 8.575 -7.748 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.080 6.504 -6.555 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.794 8.153 -8.032 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.385 6.082 -6.839 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.241 6.907 -7.577 1.00 0.00 C ATOM 882 OH TYR A 57 -8.527 6.492 -7.857 1.00 0.00 O ATOM 0 H TYR A 57 -2.534 6.375 -8.756 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.615 9.316 -8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.737 7.490 -6.040 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.246 9.161 -6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.144 9.536 -8.098 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.419 5.868 -5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.455 8.789 -8.602 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.730 5.121 -6.489 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.676 5.604 -7.470 1.00 0.00 H new ATOM 892 N GLU A 58 -0.291 9.318 -7.440 1.00 0.00 N ATOM 893 CA GLU A 58 1.132 9.307 -7.123 1.00 0.00 C ATOM 894 C GLU A 58 1.343 9.224 -5.614 1.00 0.00 C ATOM 895 O GLU A 58 0.577 9.799 -4.839 1.00 0.00 O ATOM 896 CB GLU A 58 1.798 10.571 -7.666 1.00 0.00 C ATOM 897 CG GLU A 58 0.832 11.751 -7.543 1.00 0.00 C ATOM 898 CD GLU A 58 1.521 13.037 -7.984 1.00 0.00 C ATOM 899 OE1 GLU A 58 2.719 12.999 -8.206 1.00 0.00 O ATOM 900 OE2 GLU A 58 0.838 14.044 -8.092 1.00 0.00 O ATOM 0 H GLU A 58 -0.721 10.243 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 58 1.583 8.432 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.714 10.778 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.081 10.426 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.052 11.574 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.491 11.846 -6.512 1.00 0.00 H new ATOM 907 N MET A 59 2.382 8.505 -5.205 1.00 0.00 N ATOM 908 CA MET A 59 2.671 8.341 -3.785 1.00 0.00 C ATOM 909 C MET A 59 3.656 9.404 -3.309 1.00 0.00 C ATOM 910 O MET A 59 4.739 9.560 -3.874 1.00 0.00 O ATOM 911 CB MET A 59 3.257 6.950 -3.530 1.00 0.00 C ATOM 912 CG MET A 59 2.121 5.936 -3.389 1.00 0.00 C ATOM 913 SD MET A 59 0.819 6.318 -4.587 1.00 0.00 S ATOM 914 CE MET A 59 -0.548 5.540 -3.691 1.00 0.00 C ATOM 0 H MET A 59 3.033 8.030 -5.830 1.00 0.00 H new ATOM 0 HA MET A 59 1.740 8.452 -3.230 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.914 6.664 -4.352 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.864 6.960 -2.625 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.498 4.927 -3.555 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.718 5.964 -2.377 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.495 5.850 -4.132 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.455 4.456 -3.756 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.518 5.845 -2.645 1.00 0.00 H new ATOM 924 N HIS A 60 3.274 10.131 -2.264 1.00 0.00 N ATOM 925 CA HIS A 60 4.138 11.164 -1.705 1.00 0.00 C ATOM 926 C HIS A 60 4.607 10.767 -0.309 1.00 0.00 C ATOM 927 O HIS A 60 3.794 10.462 0.564 1.00 0.00 O ATOM 928 CB HIS A 60 3.388 12.496 -1.636 1.00 0.00 C ATOM 929 CG HIS A 60 3.050 12.953 -3.028 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.693 14.023 -3.632 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.138 12.496 -3.948 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.165 14.173 -4.860 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.213 13.268 -5.104 1.00 0.00 N ATOM 0 H HIS A 60 2.377 10.025 -1.790 1.00 0.00 H new ATOM 0 HA HIS A 60 5.008 11.274 -2.352 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.477 12.383 -1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.001 13.245 -1.134 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.432 14.593 -3.220 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.465 11.665 -3.797 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.473 14.933 -5.563 1.00 0.00 H new ATOM 942 N VAL A 61 5.920 10.768 -0.105 1.00 0.00 N ATOM 943 CA VAL A 61 6.481 10.387 1.185 1.00 0.00 C ATOM 944 C VAL A 61 7.057 11.602 1.906 1.00 0.00 C ATOM 945 O VAL A 61 7.803 12.388 1.321 1.00 0.00 O ATOM 946 CB VAL A 61 7.580 9.341 0.987 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.285 9.080 2.318 1.00 0.00 C ATOM 948 CG2 VAL A 61 6.957 8.040 0.476 1.00 0.00 C ATOM 0 H VAL A 61 6.610 11.026 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 61 5.681 9.966 1.795 1.00 0.00 H new ATOM 0 HB VAL A 61 8.304 9.709 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.067 8.335 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.728 10.007 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.562 8.712 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.738 7.293 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.232 7.673 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.456 8.225 -0.474 1.00 0.00 H new ATOM 958 N LEU A 62 6.707 11.745 3.180 1.00 0.00 N ATOM 959 CA LEU A 62 7.209 12.856 3.982 1.00 0.00 C ATOM 960 C LEU A 62 7.451 12.405 5.419 1.00 0.00 C ATOM 961 O LEU A 62 6.544 12.435 6.250 1.00 0.00 O ATOM 962 CB LEU A 62 6.202 14.008 3.969 1.00 0.00 C ATOM 963 CG LEU A 62 6.808 15.222 4.675 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.880 15.851 3.783 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.708 16.251 4.950 1.00 0.00 C ATOM 0 H LEU A 62 6.082 11.110 3.677 1.00 0.00 H new ATOM 0 HA LEU A 62 8.152 13.196 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.939 14.264 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.281 13.706 4.468 1.00 0.00 H new ATOM 0 HG LEU A 62 7.258 14.907 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.311 16.716 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.663 15.119 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.431 16.166 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.138 17.117 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.259 16.565 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.943 15.805 5.585 1.00 0.00 H new ATOM 977 N VAL A 63 8.679 11.984 5.702 1.00 0.00 N ATOM 978 CA VAL A 63 9.023 11.511 7.038 1.00 0.00 C ATOM 979 C VAL A 63 9.995 12.470 7.717 1.00 0.00 C ATOM 980 O VAL A 63 10.991 12.886 7.124 1.00 0.00 O ATOM 981 CB VAL A 63 9.655 10.120 6.950 1.00 0.00 C ATOM 982 CG1 VAL A 63 9.873 9.568 8.360 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.722 9.186 6.177 1.00 0.00 C ATOM 0 H VAL A 63 9.447 11.960 5.031 1.00 0.00 H new ATOM 0 HA VAL A 63 8.109 11.461 7.631 1.00 0.00 H new ATOM 0 HB VAL A 63 10.613 10.188 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.323 8.577 8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.536 10.233 8.913 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.915 9.499 8.876 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.171 8.195 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.765 9.119 6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.565 9.578 5.172 1.00 0.00 H new ATOM 993 N THR A 64 9.701 12.814 8.968 1.00 0.00 N ATOM 994 CA THR A 64 10.563 13.713 9.727 1.00 0.00 C ATOM 995 C THR A 64 11.363 12.931 10.763 1.00 0.00 C ATOM 996 O THR A 64 10.851 12.000 11.385 1.00 0.00 O ATOM 997 CB THR A 64 9.718 14.780 10.428 1.00 0.00 C ATOM 998 OG1 THR A 64 8.995 15.523 9.456 1.00 0.00 O ATOM 999 CG2 THR A 64 10.632 15.719 11.216 1.00 0.00 C ATOM 0 H THR A 64 8.878 12.486 9.474 1.00 0.00 H new ATOM 0 HA THR A 64 11.254 14.197 9.037 1.00 0.00 H new ATOM 0 HB THR A 64 9.018 14.300 11.112 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.452 16.205 9.903 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.030 16.479 11.715 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.186 15.147 11.961 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.333 16.201 10.535 1.00 0.00 H new ATOM 1007 N PHE A 65 12.623 13.313 10.943 1.00 0.00 N ATOM 1008 CA PHE A 65 13.485 12.635 11.905 1.00 0.00 C ATOM 1009 C PHE A 65 14.112 13.636 12.869 1.00 0.00 C ATOM 1010 O PHE A 65 14.122 14.840 12.610 1.00 0.00 O ATOM 1011 CB PHE A 65 14.587 11.872 11.168 1.00 0.00 C ATOM 1012 CG PHE A 65 13.972 11.038 10.069 1.00 0.00 C ATOM 1013 CD1 PHE A 65 13.598 11.639 8.861 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.776 9.666 10.258 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.028 10.867 7.842 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.205 8.893 9.238 1.00 0.00 C ATOM 1017 CZ PHE A 65 12.832 9.494 8.031 1.00 0.00 C ATOM 0 H PHE A 65 13.067 14.081 10.440 1.00 0.00 H new ATOM 0 HA PHE A 65 12.877 11.935 12.477 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.310 12.571 10.748 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.130 11.233 11.864 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.749 12.698 8.715 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.065 9.202 11.190 1.00 0.00 H new ATOM 0 HE1 PHE A 65 12.740 11.331 6.910 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.053 7.834 9.384 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.393 8.898 7.245 1.00 0.00 H new ATOM 1027 N ASN A 66 14.634 13.129 13.982 1.00 0.00 N ATOM 1028 CA ASN A 66 15.277 13.985 14.973 1.00 0.00 C ATOM 1029 C ASN A 66 16.764 14.130 14.671 1.00 0.00 C ATOM 1030 O ASN A 66 17.376 13.243 14.075 1.00 0.00 O ATOM 1031 CB ASN A 66 15.095 13.391 16.371 1.00 0.00 C ATOM 1032 CG ASN A 66 15.455 14.429 17.429 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.815 15.477 17.517 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.448 14.199 18.244 1.00 0.00 N ATOM 0 H ASN A 66 14.625 12.137 14.219 1.00 0.00 H new ATOM 0 HA ASN A 66 14.812 14.970 14.932 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.064 13.065 16.505 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.725 12.509 16.485 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.694 14.888 18.955 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.978 13.330 18.170 1.00 0.00 H new ATOM 1041 N GLU A 67 17.340 15.253 15.087 1.00 0.00 N ATOM 1042 CA GLU A 67 18.757 15.506 14.850 1.00 0.00 C ATOM 1043 C GLU A 67 19.577 14.251 15.129 1.00 0.00 C ATOM 1044 O GLU A 67 20.454 13.885 14.348 1.00 0.00 O ATOM 1045 CB GLU A 67 19.241 16.645 15.750 1.00 0.00 C ATOM 1046 CG GLU A 67 20.770 16.647 15.795 1.00 0.00 C ATOM 1047 CD GLU A 67 21.276 18.004 16.270 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.458 18.805 16.690 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.475 18.223 16.209 1.00 0.00 O ATOM 0 H GLU A 67 16.852 15.997 15.586 1.00 0.00 H new ATOM 0 HA GLU A 67 18.888 15.788 13.805 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.877 17.600 15.373 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.837 16.525 16.755 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.123 15.863 16.465 1.00 0.00 H new ATOM 0 HG3 GLU A 67 21.171 16.426 14.806 1.00 0.00 H new ATOM 1056 N ASP A 68 19.285 13.597 16.249 1.00 0.00 N ATOM 1057 CA ASP A 68 20.002 12.384 16.623 1.00 0.00 C ATOM 1058 C ASP A 68 19.654 11.242 15.674 1.00 0.00 C ATOM 1059 O ASP A 68 18.816 10.396 15.987 1.00 0.00 O ATOM 1060 CB ASP A 68 19.644 11.986 18.056 1.00 0.00 C ATOM 1061 CG ASP A 68 20.532 10.836 18.516 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.382 10.423 17.744 1.00 0.00 O ATOM 1063 OD2 ASP A 68 20.350 10.384 19.635 1.00 0.00 O ATOM 0 H ASP A 68 18.562 13.884 16.909 1.00 0.00 H new ATOM 0 HA ASP A 68 21.072 12.582 16.558 1.00 0.00 H new ATOM 0 HB2 ASP A 68 19.768 12.841 18.721 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.596 11.691 18.109 1.00 0.00 H new ATOM 1068 N CYS A 69 20.301 11.224 14.513 1.00 0.00 N ATOM 1069 CA CYS A 69 20.057 10.175 13.530 1.00 0.00 C ATOM 1070 C CYS A 69 21.162 10.158 12.479 1.00 0.00 C ATOM 1071 O CYS A 69 21.603 11.206 12.010 1.00 0.00 O ATOM 1072 CB CYS A 69 18.706 10.401 12.850 1.00 0.00 C ATOM 1073 SG CYS A 69 18.683 12.039 12.082 1.00 0.00 S ATOM 0 H CYS A 69 20.993 11.918 14.231 1.00 0.00 H new ATOM 0 HA CYS A 69 20.048 9.215 14.046 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.533 9.632 12.097 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.901 10.319 13.580 1.00 0.00 H new ATOM 0 HG CYS A 69 18.185 12.903 12.916 1.00 0.00 H new ATOM 1079 N ASP A 70 21.602 8.959 12.111 1.00 0.00 N ATOM 1080 CA ASP A 70 22.645 8.816 11.100 1.00 0.00 C ATOM 1081 C ASP A 70 22.033 8.452 9.751 1.00 0.00 C ATOM 1082 O ASP A 70 22.447 7.485 9.112 1.00 0.00 O ATOM 1083 CB ASP A 70 23.637 7.732 11.523 1.00 0.00 C ATOM 1084 CG ASP A 70 24.801 7.678 10.539 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.838 8.512 9.649 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.640 6.804 10.689 1.00 0.00 O ATOM 0 H ASP A 70 21.256 8.079 12.494 1.00 0.00 H new ATOM 0 HA ASP A 70 23.168 9.768 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 70 24.008 7.939 12.527 1.00 0.00 H new ATOM 0 HB3 ASP A 70 23.137 6.764 11.561 1.00 0.00 H new ATOM 1091 N ILE A 71 21.045 9.233 9.326 1.00 0.00 N ATOM 1092 CA ILE A 71 20.367 8.971 8.062 1.00 0.00 C ATOM 1093 C ILE A 71 20.900 9.889 6.966 1.00 0.00 C ATOM 1094 O ILE A 71 21.453 10.952 7.248 1.00 0.00 O ATOM 1095 CB ILE A 71 18.861 9.187 8.225 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.608 10.589 8.786 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.297 8.143 9.190 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.143 10.970 8.564 1.00 0.00 C ATOM 0 H ILE A 71 20.698 10.047 9.834 1.00 0.00 H new ATOM 0 HA ILE A 71 20.558 7.937 7.776 1.00 0.00 H new ATOM 0 HB ILE A 71 18.371 9.087 7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.844 10.615 9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.261 11.312 8.297 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.224 8.297 9.306 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.479 7.144 8.793 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.785 8.243 10.160 1.00 0.00 H new ATOM 0 HD11 ILE A 71 16.962 11.968 8.963 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.922 10.961 7.497 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.499 10.253 9.074 1.00 0.00 H new ATOM 1110 N LYS A 72 20.730 9.470 5.716 1.00 0.00 N ATOM 1111 CA LYS A 72 21.185 10.272 4.585 1.00 0.00 C ATOM 1112 C LYS A 72 20.171 10.219 3.446 1.00 0.00 C ATOM 1113 O LYS A 72 19.063 9.709 3.613 1.00 0.00 O ATOM 1114 CB LYS A 72 22.537 9.756 4.089 1.00 0.00 C ATOM 1115 CG LYS A 72 22.397 8.300 3.641 1.00 0.00 C ATOM 1116 CD LYS A 72 23.769 7.753 3.245 1.00 0.00 C ATOM 1117 CE LYS A 72 23.608 6.356 2.641 1.00 0.00 C ATOM 1118 NZ LYS A 72 24.875 5.960 1.964 1.00 0.00 N ATOM 0 H LYS A 72 20.285 8.588 5.462 1.00 0.00 H new ATOM 0 HA LYS A 72 21.289 11.305 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.890 10.370 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.280 9.833 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.973 7.700 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.710 8.233 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 72 24.244 8.419 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.421 7.710 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 72 23.360 5.637 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.784 6.349 1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 24.767 5.011 1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 25.093 6.641 1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 25.651 5.951 2.657 1.00 0.00 H new ATOM 1132 N ALA A 73 20.560 10.744 2.289 1.00 0.00 N ATOM 1133 CA ALA A 73 19.674 10.757 1.130 1.00 0.00 C ATOM 1134 C ALA A 73 20.193 9.811 0.051 1.00 0.00 C ATOM 1135 O ALA A 73 21.397 9.735 -0.195 1.00 0.00 O ATOM 1136 CB ALA A 73 19.573 12.174 0.564 1.00 0.00 C ATOM 0 H ALA A 73 21.476 11.163 2.129 1.00 0.00 H new ATOM 0 HA ALA A 73 18.686 10.423 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.910 12.174 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.175 12.843 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.563 12.517 0.262 1.00 0.00 H new ATOM 1142 N LEU A 74 19.277 9.092 -0.588 1.00 0.00 N ATOM 1143 CA LEU A 74 19.655 8.146 -1.632 1.00 0.00 C ATOM 1144 C LEU A 74 19.410 8.744 -3.014 1.00 0.00 C ATOM 1145 O LEU A 74 20.207 9.542 -3.506 1.00 0.00 O ATOM 1146 CB LEU A 74 18.851 6.853 -1.482 1.00 0.00 C ATOM 1147 CG LEU A 74 19.156 6.219 -0.123 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.219 5.034 0.111 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.607 5.732 -0.104 1.00 0.00 C ATOM 0 H LEU A 74 18.275 9.145 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 74 20.718 7.926 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.785 7.063 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.104 6.160 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 74 19.008 6.959 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.437 4.583 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.185 5.379 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.366 4.293 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.826 5.280 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.753 4.993 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.276 6.576 -0.270 1.00 0.00 H new ATOM 1161 N GLY A 75 18.302 8.353 -3.635 1.00 0.00 N ATOM 1162 CA GLY A 75 17.968 8.848 -4.965 1.00 0.00 C ATOM 1163 C GLY A 75 17.831 10.367 -4.961 1.00 0.00 C ATOM 1164 O GLY A 75 18.603 11.068 -4.308 1.00 0.00 O ATOM 0 H GLY A 75 17.625 7.700 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.741 8.550 -5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.036 8.395 -5.302 1.00 0.00 H new ATOM 1168 N LYS A 76 16.841 10.869 -5.694 1.00 0.00 N ATOM 1169 CA LYS A 76 16.618 12.308 -5.776 1.00 0.00 C ATOM 1170 C LYS A 76 16.054 12.836 -4.461 1.00 0.00 C ATOM 1171 O LYS A 76 15.861 14.040 -4.296 1.00 0.00 O ATOM 1172 CB LYS A 76 15.645 12.622 -6.913 1.00 0.00 C ATOM 1173 CG LYS A 76 14.262 12.064 -6.572 1.00 0.00 C ATOM 1174 CD LYS A 76 13.352 12.170 -7.797 1.00 0.00 C ATOM 1175 CE LYS A 76 13.230 13.636 -8.219 1.00 0.00 C ATOM 1176 NZ LYS A 76 13.179 14.499 -7.005 1.00 0.00 N ATOM 0 H LYS A 76 16.186 10.305 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 76 17.573 12.795 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.586 13.699 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.005 12.185 -7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.346 11.024 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.831 12.616 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.758 11.577 -8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.367 11.764 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.078 13.918 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.331 13.780 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.720 15.402 -7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.636 14.018 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.146 14.680 -6.667 1.00 0.00 H new ATOM 1190 N THR A 77 15.791 11.926 -3.528 1.00 0.00 N ATOM 1191 CA THR A 77 15.241 12.311 -2.233 1.00 0.00 C ATOM 1192 C THR A 77 15.982 13.521 -1.675 1.00 0.00 C ATOM 1193 O THR A 77 17.179 13.453 -1.395 1.00 0.00 O ATOM 1194 CB THR A 77 15.353 11.143 -1.251 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.663 10.017 -1.776 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.738 11.541 0.091 1.00 0.00 C ATOM 0 H THR A 77 15.948 10.925 -3.643 1.00 0.00 H new ATOM 0 HA THR A 77 14.192 12.573 -2.368 1.00 0.00 H new ATOM 0 HB THR A 77 16.403 10.890 -1.105 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.287 9.268 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.818 10.708 0.789 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.269 12.404 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.688 11.795 -0.051 1.00 0.00 H new ATOM 1204 N LYS A 78 15.264 14.627 -1.516 1.00 0.00 N ATOM 1205 CA LYS A 78 15.864 15.847 -0.989 1.00 0.00 C ATOM 1206 C LYS A 78 16.020 15.755 0.525 1.00 0.00 C ATOM 1207 O LYS A 78 15.048 15.537 1.247 1.00 0.00 O ATOM 1208 CB LYS A 78 14.992 17.054 -1.343 1.00 0.00 C ATOM 1209 CG LYS A 78 15.724 18.341 -0.959 1.00 0.00 C ATOM 1210 CD LYS A 78 14.833 19.547 -1.265 1.00 0.00 C ATOM 1211 CE LYS A 78 15.626 20.836 -1.047 1.00 0.00 C ATOM 1212 NZ LYS A 78 14.813 22.001 -1.502 1.00 0.00 N ATOM 0 H LYS A 78 14.273 14.704 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 78 16.850 15.969 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.768 17.054 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.039 16.994 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.980 18.324 0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.660 18.418 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.476 19.497 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.953 19.535 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.880 20.946 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.565 20.796 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.351 22.879 -1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.592 21.896 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.928 22.041 -0.956 1.00 0.00 H new ATOM 1226 N LEU A 79 17.251 15.921 0.999 1.00 0.00 N ATOM 1227 CA LEU A 79 17.523 15.850 2.429 1.00 0.00 C ATOM 1228 C LEU A 79 18.051 17.186 2.943 1.00 0.00 C ATOM 1229 O LEU A 79 18.968 17.767 2.363 1.00 0.00 O ATOM 1230 CB LEU A 79 18.550 14.752 2.711 1.00 0.00 C ATOM 1231 CG LEU A 79 18.858 14.711 4.208 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.566 14.460 4.989 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.852 13.583 4.494 1.00 0.00 C ATOM 0 H LEU A 79 18.069 16.104 0.419 1.00 0.00 H new ATOM 0 HA LEU A 79 16.591 15.618 2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.165 13.787 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.463 14.940 2.146 1.00 0.00 H new ATOM 0 HG LEU A 79 19.290 15.664 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.786 14.431 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.857 15.262 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.134 13.508 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.072 13.554 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.420 12.631 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.773 13.760 3.939 1.00 0.00 H new ATOM 1245 N GLU A 80 17.466 17.667 4.034 1.00 0.00 N ATOM 1246 CA GLU A 80 17.882 18.938 4.615 1.00 0.00 C ATOM 1247 C GLU A 80 17.526 18.991 6.098 1.00 0.00 C ATOM 1248 O GLU A 80 16.526 18.417 6.527 1.00 0.00 O ATOM 1249 CB GLU A 80 17.199 20.094 3.882 1.00 0.00 C ATOM 1250 CG GLU A 80 17.692 21.425 4.456 1.00 0.00 C ATOM 1251 CD GLU A 80 19.185 21.586 4.192 1.00 0.00 C ATOM 1252 OE1 GLU A 80 19.668 20.978 3.250 1.00 0.00 O ATOM 1253 OE2 GLU A 80 19.823 22.314 4.932 1.00 0.00 O ATOM 0 H GLU A 80 16.708 17.200 4.531 1.00 0.00 H new ATOM 0 HA GLU A 80 18.963 19.029 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.418 20.042 2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.117 20.018 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.143 22.251 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.498 21.462 5.528 1.00 0.00 H new ATOM 1260 N GLN A 81 18.353 19.683 6.875 1.00 0.00 N ATOM 1261 CA GLN A 81 18.111 19.812 8.306 1.00 0.00 C ATOM 1262 C GLN A 81 17.544 21.189 8.633 1.00 0.00 C ATOM 1263 O GLN A 81 17.824 22.168 7.941 1.00 0.00 O ATOM 1264 CB GLN A 81 19.415 19.598 9.078 1.00 0.00 C ATOM 1265 CG GLN A 81 19.124 19.589 10.580 1.00 0.00 C ATOM 1266 CD GLN A 81 20.409 19.320 11.357 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.446 19.030 10.761 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.401 19.400 12.660 1.00 0.00 N ATOM 0 H GLN A 81 19.190 20.160 6.540 1.00 0.00 H new ATOM 0 HA GLN A 81 17.385 19.054 8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.876 18.656 8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 81 20.125 20.390 8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.700 20.546 10.883 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.382 18.824 10.811 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.540 19.641 13.151 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.256 19.222 13.187 1.00 0.00 H new ATOM 1277 N GLN A 82 16.745 21.259 9.694 1.00 0.00 N ATOM 1278 CA GLN A 82 16.141 22.522 10.102 1.00 0.00 C ATOM 1279 C GLN A 82 16.796 23.041 11.379 1.00 0.00 C ATOM 1280 O GLN A 82 17.584 22.338 12.013 1.00 0.00 O ATOM 1281 CB GLN A 82 14.642 22.331 10.335 1.00 0.00 C ATOM 1282 CG GLN A 82 14.122 21.212 9.433 1.00 0.00 C ATOM 1283 CD GLN A 82 14.541 21.469 7.989 1.00 0.00 C ATOM 1284 OE1 GLN A 82 15.080 20.506 7.293 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 14.372 22.579 7.481 1.00 0.00 N flip ATOM 0 H GLN A 82 16.502 20.462 10.283 1.00 0.00 H new ATOM 0 HA GLN A 82 16.295 23.252 9.307 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.454 22.086 11.380 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.110 23.259 10.124 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.513 20.252 9.769 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.036 21.154 9.500 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.950 23.331 8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.654 22.746 6.515 1.00 0.00 H new ATOM 1294 N GLU A 83 16.464 24.273 11.750 1.00 0.00 N ATOM 1295 CA GLU A 83 17.027 24.874 12.953 1.00 0.00 C ATOM 1296 C GLU A 83 16.592 24.100 14.193 1.00 0.00 C ATOM 1297 O GLU A 83 17.371 23.918 15.129 1.00 0.00 O ATOM 1298 CB GLU A 83 16.570 26.330 13.071 1.00 0.00 C ATOM 1299 CG GLU A 83 17.318 27.007 14.222 1.00 0.00 C ATOM 1300 CD GLU A 83 16.816 28.437 14.398 1.00 0.00 C ATOM 1301 OE1 GLU A 83 15.913 28.820 13.674 1.00 0.00 O ATOM 1302 OE2 GLU A 83 17.344 29.127 15.255 1.00 0.00 O ATOM 0 H GLU A 83 15.813 24.870 11.240 1.00 0.00 H new ATOM 0 HA GLU A 83 18.114 24.839 12.880 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.761 26.859 12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.495 26.372 13.247 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.170 26.444 15.144 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.389 27.011 14.019 1.00 0.00 H new ATOM 1309 N ASN A 84 15.342 23.647 14.193 1.00 0.00 N ATOM 1310 CA ASN A 84 14.811 22.897 15.325 1.00 0.00 C ATOM 1311 C ASN A 84 15.673 21.670 15.606 1.00 0.00 C ATOM 1312 O ASN A 84 15.701 21.162 16.728 1.00 0.00 O ATOM 1313 CB ASN A 84 13.376 22.456 15.033 1.00 0.00 C ATOM 1314 CG ASN A 84 13.301 21.809 13.653 1.00 0.00 C ATOM 1315 OD1 ASN A 84 14.109 20.829 13.358 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.483 22.207 12.825 1.00 0.00 N flip ATOM 0 H ASN A 84 14.682 23.785 13.427 1.00 0.00 H new ATOM 0 HA ASN A 84 14.821 23.544 16.202 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.041 21.750 15.793 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.706 23.315 15.078 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.852 22.974 13.059 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.435 21.770 11.904 1.00 0.00 H new ATOM 1323 N GLY A 85 16.375 21.198 14.581 1.00 0.00 N ATOM 1324 CA GLY A 85 17.242 20.036 14.732 1.00 0.00 C ATOM 1325 C GLY A 85 16.555 18.775 14.222 1.00 0.00 C ATOM 1326 O GLY A 85 16.603 17.726 14.865 1.00 0.00 O ATOM 0 H GLY A 85 16.361 21.599 13.643 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.170 20.196 14.184 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.509 19.910 15.781 1.00 0.00 H new ATOM 1330 N GLU A 86 15.913 18.884 13.063 1.00 0.00 N ATOM 1331 CA GLU A 86 15.233 17.740 12.466 1.00 0.00 C ATOM 1332 C GLU A 86 15.622 17.591 10.998 1.00 0.00 C ATOM 1333 O GLU A 86 15.976 18.568 10.337 1.00 0.00 O ATOM 1334 CB GLU A 86 13.717 17.917 12.577 1.00 0.00 C ATOM 1335 CG GLU A 86 13.313 17.940 14.053 1.00 0.00 C ATOM 1336 CD GLU A 86 11.799 18.077 14.175 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.165 18.345 13.168 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.296 17.911 15.274 1.00 0.00 O ATOM 0 H GLU A 86 15.849 19.746 12.522 1.00 0.00 H new ATOM 0 HA GLU A 86 15.535 16.841 13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.412 18.844 12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.206 17.103 12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.645 17.025 14.544 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.804 18.770 14.560 1.00 0.00 H new ATOM 1345 N TRP A 87 15.550 16.363 10.494 1.00 0.00 N ATOM 1346 CA TRP A 87 15.901 16.097 9.104 1.00 0.00 C ATOM 1347 C TRP A 87 14.645 15.863 8.272 1.00 0.00 C ATOM 1348 O TRP A 87 13.766 15.095 8.661 1.00 0.00 O ATOM 1349 CB TRP A 87 16.808 14.868 9.018 1.00 0.00 C ATOM 1350 CG TRP A 87 18.171 15.216 9.526 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.608 15.000 10.788 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.278 15.837 8.810 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.911 15.449 10.892 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.369 15.973 9.700 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.439 16.291 7.488 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.578 16.540 9.293 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.654 16.862 7.076 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.720 16.987 7.977 1.00 0.00 C ATOM 0 H TRP A 87 15.254 15.542 11.023 1.00 0.00 H new ATOM 0 HA TRP A 87 16.430 16.965 8.710 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.388 14.051 9.604 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.871 14.521 7.987 1.00 0.00 H new ATOM 0 HD1 TRP A 87 18.033 14.550 11.584 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.467 15.399 11.746 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.623 16.200 6.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.398 16.632 9.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.768 17.207 6.059 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.651 17.429 7.654 1.00 0.00 H new ATOM 1369 N VAL A 88 14.567 16.530 7.125 1.00 0.00 N ATOM 1370 CA VAL A 88 13.410 16.388 6.248 1.00 0.00 C ATOM 1371 C VAL A 88 13.778 15.601 4.995 1.00 0.00 C ATOM 1372 O VAL A 88 14.754 15.920 4.314 1.00 0.00 O ATOM 1373 CB VAL A 88 12.885 17.769 5.850 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.767 17.612 4.818 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.336 18.481 7.089 1.00 0.00 C ATOM 0 H VAL A 88 15.285 17.169 6.783 1.00 0.00 H new ATOM 0 HA VAL A 88 12.634 15.845 6.788 1.00 0.00 H new ATOM 0 HB VAL A 88 13.697 18.356 5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.393 18.596 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.155 17.103 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.955 17.025 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.962 19.465 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.524 17.893 7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.131 18.593 7.826 1.00 0.00 H new ATOM 1385 N ALA A 89 12.993 14.573 4.696 1.00 0.00 N ATOM 1386 CA ALA A 89 13.244 13.746 3.521 1.00 0.00 C ATOM 1387 C ALA A 89 11.946 13.484 2.764 1.00 0.00 C ATOM 1388 O ALA A 89 11.142 12.643 3.165 1.00 0.00 O ATOM 1389 CB ALA A 89 13.870 12.416 3.940 1.00 0.00 C ATOM 0 H ALA A 89 12.182 14.293 5.247 1.00 0.00 H new ATOM 0 HA ALA A 89 13.933 14.279 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.054 11.806 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.813 12.603 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.190 11.889 4.610 1.00 0.00 H new ATOM 1395 N SER A 90 11.748 14.211 1.669 1.00 0.00 N ATOM 1396 CA SER A 90 10.534 14.060 0.875 1.00 0.00 C ATOM 1397 C SER A 90 10.872 13.619 -0.546 1.00 0.00 C ATOM 1398 O SER A 90 11.885 14.031 -1.109 1.00 0.00 O ATOM 1399 CB SER A 90 9.771 15.384 0.831 1.00 0.00 C ATOM 1400 OG SER A 90 10.445 16.285 -0.038 1.00 0.00 O ATOM 0 H SER A 90 12.406 14.905 1.314 1.00 0.00 H new ATOM 0 HA SER A 90 9.911 13.296 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.752 15.218 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.700 15.810 1.832 1.00 0.00 H new ATOM 0 HG SER A 90 9.958 17.135 -0.070 1.00 0.00 H new ATOM 1406 N VAL A 91 10.014 12.780 -1.119 1.00 0.00 N ATOM 1407 CA VAL A 91 10.226 12.297 -2.477 1.00 0.00 C ATOM 1408 C VAL A 91 8.930 11.728 -3.049 1.00 0.00 C ATOM 1409 O VAL A 91 8.156 11.088 -2.338 1.00 0.00 O ATOM 1410 CB VAL A 91 11.307 11.216 -2.486 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.756 9.937 -1.854 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.729 10.930 -3.929 1.00 0.00 C ATOM 0 H VAL A 91 9.172 12.423 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 91 10.548 13.135 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 91 12.169 11.560 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.527 9.167 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.454 10.140 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.893 9.592 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.500 10.159 -3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.866 10.586 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.122 11.841 -4.380 1.00 0.00 H new ATOM 1422 N VAL A 92 8.700 11.970 -4.336 1.00 0.00 N ATOM 1423 CA VAL A 92 7.498 11.470 -4.993 1.00 0.00 C ATOM 1424 C VAL A 92 7.826 10.271 -5.877 1.00 0.00 C ATOM 1425 O VAL A 92 8.785 10.301 -6.650 1.00 0.00 O ATOM 1426 CB VAL A 92 6.871 12.576 -5.843 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.547 12.082 -6.428 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.615 13.806 -4.970 1.00 0.00 C ATOM 0 H VAL A 92 9.324 12.505 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 92 6.792 11.156 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 92 7.550 12.840 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.100 12.870 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.729 11.205 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.867 11.818 -5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.168 14.595 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.936 13.542 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.558 14.159 -4.553 1.00 0.00 H new ATOM 1438 N VAL A 93 7.025 9.217 -5.757 1.00 0.00 N ATOM 1439 CA VAL A 93 7.244 8.010 -6.543 1.00 0.00 C ATOM 1440 C VAL A 93 6.088 7.785 -7.511 1.00 0.00 C ATOM 1441 O VAL A 93 4.921 7.833 -7.122 1.00 0.00 O ATOM 1442 CB VAL A 93 7.377 6.799 -5.616 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.836 5.584 -6.424 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.406 7.104 -4.525 1.00 0.00 C ATOM 0 H VAL A 93 6.224 9.175 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 93 8.164 8.133 -7.114 1.00 0.00 H new ATOM 0 HB VAL A 93 6.412 6.585 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.930 4.722 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.104 5.366 -7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.801 5.796 -6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.502 6.243 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.371 7.318 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.079 7.969 -3.948 1.00 0.00 H new ATOM 1454 N TYR A 94 6.419 7.540 -8.775 1.00 0.00 N ATOM 1455 CA TYR A 94 5.397 7.304 -9.789 1.00 0.00 C ATOM 1456 C TYR A 94 5.082 5.815 -9.892 1.00 0.00 C ATOM 1457 O TYR A 94 5.901 4.969 -9.533 1.00 0.00 O ATOM 1458 CB TYR A 94 5.877 7.824 -11.145 1.00 0.00 C ATOM 1459 CG TYR A 94 6.197 9.295 -11.034 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.180 10.213 -10.747 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.513 9.741 -11.211 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.477 11.576 -10.636 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.810 11.104 -11.103 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.793 12.022 -10.814 1.00 0.00 C ATOM 1465 OH TYR A 94 7.087 13.366 -10.707 1.00 0.00 O ATOM 0 H TYR A 94 7.378 7.500 -9.120 1.00 0.00 H new ATOM 0 HA TYR A 94 4.491 7.836 -9.499 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.760 7.272 -11.467 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.108 7.664 -11.901 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.165 9.869 -10.611 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.298 9.033 -11.431 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.692 12.284 -10.413 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.824 11.448 -11.243 1.00 0.00 H new ATOM 0 HH TYR A 94 8.045 13.504 -10.858 1.00 0.00 H new ATOM 1475 N PRO A 95 3.913 5.488 -10.372 1.00 0.00 N ATOM 1476 CA PRO A 95 3.466 4.071 -10.512 1.00 0.00 C ATOM 1477 C PRO A 95 4.363 3.277 -11.456 1.00 0.00 C ATOM 1478 O PRO A 95 4.985 3.838 -12.358 1.00 0.00 O ATOM 1479 CB PRO A 95 2.044 4.183 -11.072 1.00 0.00 C ATOM 1480 CG PRO A 95 1.611 5.587 -10.804 1.00 0.00 C ATOM 1481 CD PRO A 95 2.870 6.450 -10.847 1.00 0.00 C ATOM 0 HA PRO A 95 3.509 3.536 -9.563 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.026 3.965 -12.140 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.376 3.469 -10.590 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.889 5.918 -11.550 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.123 5.663 -9.832 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.080 6.818 -11.851 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.791 7.322 -10.198 1.00 0.00 H new ATOM 1489 N CYS A 96 4.424 1.966 -11.242 1.00 0.00 N ATOM 1490 CA CYS A 96 5.244 1.102 -12.083 1.00 0.00 C ATOM 1491 C CYS A 96 6.713 1.499 -11.984 1.00 0.00 C ATOM 1492 O CYS A 96 7.517 1.162 -12.854 1.00 0.00 O ATOM 1493 CB CYS A 96 4.782 1.198 -13.538 1.00 0.00 C ATOM 1494 SG CYS A 96 2.974 1.154 -13.600 1.00 0.00 S ATOM 0 H CYS A 96 3.919 1.482 -10.499 1.00 0.00 H new ATOM 0 HA CYS A 96 5.133 0.075 -11.736 1.00 0.00 H new ATOM 0 HB2 CYS A 96 5.150 2.120 -13.988 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.197 0.373 -14.118 1.00 0.00 H new ATOM 0 HG CYS A 96 2.580 1.238 -14.836 1.00 0.00 H new ATOM 1500 N GLU A 97 7.056 2.218 -10.920 1.00 0.00 N ATOM 1501 CA GLU A 97 8.431 2.657 -10.716 1.00 0.00 C ATOM 1502 C GLU A 97 8.792 2.620 -9.234 1.00 0.00 C ATOM 1503 O GLU A 97 7.944 2.858 -8.373 1.00 0.00 O ATOM 1504 CB GLU A 97 8.610 4.079 -11.250 1.00 0.00 C ATOM 1505 CG GLU A 97 8.377 4.089 -12.763 1.00 0.00 C ATOM 1506 CD GLU A 97 8.676 5.473 -13.327 1.00 0.00 C ATOM 1507 OE1 GLU A 97 8.765 6.404 -12.543 1.00 0.00 O ATOM 1508 OE2 GLU A 97 8.812 5.583 -14.535 1.00 0.00 O ATOM 0 H GLU A 97 6.405 2.507 -10.190 1.00 0.00 H new ATOM 0 HA GLU A 97 9.092 1.980 -11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.909 4.754 -10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.613 4.440 -11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.015 3.346 -13.242 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.346 3.813 -12.982 1.00 0.00 H new ATOM 1515 N THR A 98 10.053 2.322 -8.944 1.00 0.00 N ATOM 1516 CA THR A 98 10.517 2.264 -7.562 1.00 0.00 C ATOM 1517 C THR A 98 11.743 3.152 -7.371 1.00 0.00 C ATOM 1518 O THR A 98 12.737 3.016 -8.083 1.00 0.00 O ATOM 1519 CB THR A 98 10.866 0.821 -7.188 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.972 -0.066 -7.845 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.747 0.641 -5.673 1.00 0.00 C ATOM 0 H THR A 98 10.769 2.118 -9.642 1.00 0.00 H new ATOM 0 HA THR A 98 9.717 2.624 -6.914 1.00 0.00 H new ATOM 0 HB THR A 98 11.888 0.602 -7.497 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.650 -0.737 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.996 -0.387 -5.408 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.434 1.322 -5.171 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.726 0.860 -5.360 1.00 0.00 H new ATOM 1529 N GLU A 99 11.663 4.062 -6.405 1.00 0.00 N ATOM 1530 CA GLU A 99 12.767 4.977 -6.140 1.00 0.00 C ATOM 1531 C GLU A 99 13.295 4.785 -4.722 1.00 0.00 C ATOM 1532 O GLU A 99 12.578 4.311 -3.841 1.00 0.00 O ATOM 1533 CB GLU A 99 12.301 6.423 -6.322 1.00 0.00 C ATOM 1534 CG GLU A 99 11.796 6.621 -7.752 1.00 0.00 C ATOM 1535 CD GLU A 99 11.407 8.080 -7.971 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.387 8.818 -7.001 1.00 0.00 O ATOM 1537 OE2 GLU A 99 11.135 8.436 -9.105 1.00 0.00 O ATOM 0 H GLU A 99 10.853 4.185 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 99 13.570 4.762 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.508 6.653 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.123 7.109 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.570 6.332 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.937 5.976 -7.936 1.00 0.00 H new ATOM 1544 N MET A 100 14.552 5.158 -4.510 1.00 0.00 N ATOM 1545 CA MET A 100 15.165 5.034 -3.192 1.00 0.00 C ATOM 1546 C MET A 100 14.757 6.200 -2.298 1.00 0.00 C ATOM 1547 O MET A 100 14.430 7.283 -2.785 1.00 0.00 O ATOM 1548 CB MET A 100 16.689 5.000 -3.325 1.00 0.00 C ATOM 1549 CG MET A 100 17.102 3.791 -4.165 1.00 0.00 C ATOM 1550 SD MET A 100 18.673 3.136 -3.548 1.00 0.00 S ATOM 1551 CE MET A 100 17.996 2.194 -2.160 1.00 0.00 C ATOM 0 H MET A 100 15.163 5.546 -5.228 1.00 0.00 H new ATOM 0 HA MET A 100 14.819 4.105 -2.738 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.044 5.919 -3.792 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.149 4.945 -2.339 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.331 3.022 -4.118 1.00 0.00 H new ATOM 0 HG3 MET A 100 17.202 4.079 -5.212 1.00 0.00 H new ATOM 0 HE1 MET A 100 18.679 2.254 -1.312 1.00 0.00 H new ATOM 0 HE2 MET A 100 17.028 2.608 -1.877 1.00 0.00 H new ATOM 0 HE3 MET A 100 17.872 1.152 -2.454 1.00 0.00 H new ATOM 1561 N PHE A 101 14.781 5.973 -0.989 1.00 0.00 N ATOM 1562 CA PHE A 101 14.395 7.009 -0.037 1.00 0.00 C ATOM 1563 C PHE A 101 15.600 7.457 0.784 1.00 0.00 C ATOM 1564 O PHE A 101 16.370 8.315 0.356 1.00 0.00 O ATOM 1565 CB PHE A 101 13.306 6.480 0.898 1.00 0.00 C ATOM 1566 CG PHE A 101 12.877 7.580 1.840 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.675 8.877 1.354 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.641 7.293 3.190 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.250 9.891 2.220 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.218 8.308 4.057 1.00 0.00 C ATOM 1571 CZ PHE A 101 12.023 9.607 3.572 1.00 0.00 C ATOM 0 H PHE A 101 15.061 5.089 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 101 14.011 7.864 -0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.452 6.129 0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.680 5.627 1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.847 9.095 0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.785 6.290 3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.097 10.892 1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.042 8.089 5.100 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.697 10.390 4.241 1.00 0.00 H new ATOM 1581 N ILE A 102 15.754 6.868 1.966 1.00 0.00 N ATOM 1582 CA ILE A 102 16.872 7.212 2.838 1.00 0.00 C ATOM 1583 C ILE A 102 17.534 5.951 3.384 1.00 0.00 C ATOM 1584 O ILE A 102 16.960 4.864 3.330 1.00 0.00 O ATOM 1585 CB ILE A 102 16.379 8.077 4.000 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.438 7.253 4.883 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.629 9.291 3.451 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.260 6.429 5.876 1.00 0.00 C ATOM 0 H ILE A 102 15.125 6.157 2.339 1.00 0.00 H new ATOM 0 HA ILE A 102 17.606 7.769 2.255 1.00 0.00 H new ATOM 0 HB ILE A 102 17.231 8.414 4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.755 7.912 5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.827 6.594 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.278 9.907 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.298 9.877 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.776 8.956 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.590 5.842 6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.925 5.759 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.852 7.097 6.501 1.00 0.00 H new ATOM 1600 N GLU A 103 18.745 6.105 3.912 1.00 0.00 N ATOM 1601 CA GLU A 103 19.476 4.971 4.465 1.00 0.00 C ATOM 1602 C GLU A 103 20.254 5.389 5.709 1.00 0.00 C ATOM 1603 O GLU A 103 20.579 6.563 5.884 1.00 0.00 O ATOM 1604 CB GLU A 103 20.444 4.414 3.418 1.00 0.00 C ATOM 1605 CG GLU A 103 21.262 3.277 4.034 1.00 0.00 C ATOM 1606 CD GLU A 103 22.100 2.596 2.957 1.00 0.00 C ATOM 1607 OE1 GLU A 103 21.983 2.987 1.808 1.00 0.00 O ATOM 1608 OE2 GLU A 103 22.845 1.692 3.297 1.00 0.00 O ATOM 0 H GLU A 103 19.237 6.997 3.968 1.00 0.00 H new ATOM 0 HA GLU A 103 18.757 4.200 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.890 4.051 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.107 5.203 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.910 3.668 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.597 2.551 4.502 1.00 0.00 H new ATOM 1615 N GLY A 104 20.548 4.420 6.570 1.00 0.00 N ATOM 1616 CA GLY A 104 21.296 4.697 7.791 1.00 0.00 C ATOM 1617 C GLY A 104 20.539 4.199 9.018 1.00 0.00 C ATOM 1618 O GLY A 104 19.720 3.284 8.925 1.00 0.00 O ATOM 0 H GLY A 104 20.282 3.443 6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.273 4.215 7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.473 5.769 7.878 1.00 0.00 H new ATOM 1622 N ARG A 105 20.815 4.808 10.166 1.00 0.00 N ATOM 1623 CA ARG A 105 20.155 4.416 11.406 1.00 0.00 C ATOM 1624 C ARG A 105 18.971 5.335 11.693 1.00 0.00 C ATOM 1625 O ARG A 105 19.074 6.554 11.562 1.00 0.00 O ATOM 1626 CB ARG A 105 21.147 4.478 12.569 1.00 0.00 C ATOM 1627 CG ARG A 105 20.502 3.886 13.824 1.00 0.00 C ATOM 1628 CD ARG A 105 21.478 3.989 14.997 1.00 0.00 C ATOM 1629 NE ARG A 105 20.932 3.312 16.169 1.00 0.00 N ATOM 1630 CZ ARG A 105 20.979 1.989 16.282 1.00 0.00 C ATOM 1631 NH1 ARG A 105 21.515 1.271 15.333 1.00 0.00 N ATOM 1632 NH2 ARG A 105 20.486 1.407 17.341 1.00 0.00 N ATOM 0 H ARG A 105 21.486 5.570 10.264 1.00 0.00 H new ATOM 0 HA ARG A 105 19.791 3.395 11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 105 22.053 3.926 12.318 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.444 5.511 12.753 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.580 4.418 14.057 1.00 0.00 H new ATOM 0 HG3 ARG A 105 20.234 2.844 13.651 1.00 0.00 H new ATOM 0 HD2 ARG A 105 22.435 3.544 14.724 1.00 0.00 H new ATOM 0 HD3 ARG A 105 21.669 5.037 15.229 1.00 0.00 H new ATOM 0 HE ARG A 105 20.507 3.864 16.914 1.00 0.00 H new ATOM 0 HH11 ARG A 105 21.898 1.726 14.504 1.00 0.00 H new ATOM 0 HH12 ARG A 105 21.551 0.255 15.420 1.00 0.00 H new ATOM 0 HH21 ARG A 105 20.065 1.968 18.082 1.00 0.00 H new ATOM 0 HH22 ARG A 105 20.522 0.391 17.428 1.00 0.00 H new ATOM 1646 N VAL A 106 17.847 4.742 12.082 1.00 0.00 N ATOM 1647 CA VAL A 106 16.648 5.520 12.373 1.00 0.00 C ATOM 1648 C VAL A 106 16.190 5.290 13.811 1.00 0.00 C ATOM 1649 O VAL A 106 16.165 4.158 14.292 1.00 0.00 O ATOM 1650 CB VAL A 106 15.525 5.129 11.411 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.439 6.206 11.427 1.00 0.00 C ATOM 1652 CG2 VAL A 106 16.090 4.998 9.995 1.00 0.00 C ATOM 0 H VAL A 106 17.741 3.735 12.202 1.00 0.00 H new ATOM 0 HA VAL A 106 16.886 6.576 12.245 1.00 0.00 H new ATOM 0 HB VAL A 106 15.096 4.177 11.723 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.639 5.926 10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.036 6.301 12.435 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.867 7.159 11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.290 4.719 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.519 5.951 9.685 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.864 4.230 9.982 1.00 0.00 H new ATOM 1662 N ASN A 107 15.828 6.374 14.488 1.00 0.00 N ATOM 1663 CA ASN A 107 15.373 6.287 15.871 1.00 0.00 C ATOM 1664 C ASN A 107 14.320 7.354 16.151 1.00 0.00 C ATOM 1665 O ASN A 107 14.600 8.550 16.072 1.00 0.00 O ATOM 1666 CB ASN A 107 16.556 6.470 16.824 1.00 0.00 C ATOM 1667 CG ASN A 107 17.477 7.570 16.308 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.795 7.608 15.120 1.00 0.00 O ATOM 1669 ND2 ASN A 107 17.926 8.474 17.136 1.00 0.00 N ATOM 0 H ASN A 107 15.840 7.319 14.104 1.00 0.00 H new ATOM 0 HA ASN A 107 14.931 5.303 16.030 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.195 6.725 17.820 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.108 5.535 16.915 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.542 9.214 16.798 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.661 8.440 18.120 1.00 0.00 H new ATOM 1676 N GLY A 108 13.109 6.915 16.475 1.00 0.00 N ATOM 1677 CA GLY A 108 12.023 7.846 16.759 1.00 0.00 C ATOM 1678 C GLY A 108 11.832 8.819 15.601 1.00 0.00 C ATOM 1679 O GLY A 108 12.658 9.705 15.381 1.00 0.00 O ATOM 0 H GLY A 108 12.856 5.930 16.547 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.100 7.294 16.933 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.240 8.399 17.673 1.00 0.00 H new ATOM 1683 N PHE A 109 10.743 8.648 14.859 1.00 0.00 N ATOM 1684 CA PHE A 109 10.469 9.512 13.717 1.00 0.00 C ATOM 1685 C PHE A 109 8.975 9.545 13.410 1.00 0.00 C ATOM 1686 O PHE A 109 8.223 8.670 13.839 1.00 0.00 O ATOM 1687 CB PHE A 109 11.231 9.007 12.491 1.00 0.00 C ATOM 1688 CG PHE A 109 10.800 7.592 12.183 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.417 6.516 12.831 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.770 7.359 11.263 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.006 5.205 12.557 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.358 6.050 10.991 1.00 0.00 C ATOM 1693 CZ PHE A 109 9.976 4.973 11.638 1.00 0.00 C ATOM 0 H PHE A 109 10.042 7.926 15.026 1.00 0.00 H new ATOM 0 HA PHE A 109 10.797 10.522 13.963 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.035 9.653 11.635 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.305 9.040 12.677 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.210 6.696 13.542 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.294 8.190 10.764 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.484 4.374 13.055 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.563 5.870 10.282 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.658 3.963 11.428 1.00 0.00 H new ATOM 1703 N LYS A 110 8.556 10.559 12.660 1.00 0.00 N ATOM 1704 CA LYS A 110 7.153 10.688 12.279 1.00 0.00 C ATOM 1705 C LYS A 110 6.999 10.551 10.768 1.00 0.00 C ATOM 1706 O LYS A 110 7.739 11.167 10.000 1.00 0.00 O ATOM 1707 CB LYS A 110 6.613 12.048 12.730 1.00 0.00 C ATOM 1708 CG LYS A 110 6.757 12.178 14.248 1.00 0.00 C ATOM 1709 CD LYS A 110 5.946 13.380 14.738 1.00 0.00 C ATOM 1710 CE LYS A 110 6.493 14.659 14.100 1.00 0.00 C ATOM 1711 NZ LYS A 110 5.927 14.814 12.731 1.00 0.00 N ATOM 0 H LYS A 110 9.162 11.299 12.306 1.00 0.00 H new ATOM 0 HA LYS A 110 6.586 9.895 12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.158 12.850 12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.566 12.148 12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.409 11.268 14.736 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.807 12.301 14.515 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.895 13.253 14.479 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.001 13.451 15.824 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.233 15.523 14.712 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.581 14.617 14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.691 14.743 12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.227 14.064 12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.467 15.743 12.649 1.00 0.00 H new ATOM 1725 N SER A 111 6.039 9.733 10.349 1.00 0.00 N ATOM 1726 CA SER A 111 5.811 9.505 8.927 1.00 0.00 C ATOM 1727 C SER A 111 4.441 10.027 8.504 1.00 0.00 C ATOM 1728 O SER A 111 3.437 9.786 9.175 1.00 0.00 O ATOM 1729 CB SER A 111 5.905 8.010 8.620 1.00 0.00 C ATOM 1730 OG SER A 111 7.149 7.512 9.094 1.00 0.00 O ATOM 0 H SER A 111 5.411 9.221 10.968 1.00 0.00 H new ATOM 0 HA SER A 111 6.576 10.044 8.368 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.082 7.477 9.095 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.817 7.841 7.547 1.00 0.00 H new ATOM 0 HG SER A 111 7.213 6.553 8.901 1.00 0.00 H new ATOM 1736 N LYS A 112 4.410 10.741 7.383 1.00 0.00 N ATOM 1737 CA LYS A 112 3.158 11.269 6.854 1.00 0.00 C ATOM 1738 C LYS A 112 3.075 11.024 5.351 1.00 0.00 C ATOM 1739 O LYS A 112 3.815 11.627 4.574 1.00 0.00 O ATOM 1740 CB LYS A 112 3.060 12.770 7.135 1.00 0.00 C ATOM 1741 CG LYS A 112 1.667 13.272 6.747 1.00 0.00 C ATOM 1742 CD LYS A 112 1.453 14.675 7.316 1.00 0.00 C ATOM 1743 CE LYS A 112 2.541 15.613 6.787 1.00 0.00 C ATOM 1744 NZ LYS A 112 2.787 15.323 5.346 1.00 0.00 N ATOM 0 H LYS A 112 5.234 10.966 6.826 1.00 0.00 H new ATOM 0 HA LYS A 112 2.330 10.757 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.248 12.966 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.822 13.307 6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.564 13.289 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.905 12.593 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.468 15.047 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.482 14.645 8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.234 16.651 6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.460 15.481 7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.220 16.154 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.428 14.509 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.885 15.104 4.877 1.00 0.00 H new ATOM 1758 N MET A 113 2.176 10.132 4.946 1.00 0.00 N ATOM 1759 CA MET A 113 2.026 9.804 3.533 1.00 0.00 C ATOM 1760 C MET A 113 0.629 10.158 3.033 1.00 0.00 C ATOM 1761 O MET A 113 -0.297 10.339 3.823 1.00 0.00 O ATOM 1762 CB MET A 113 2.280 8.310 3.316 1.00 0.00 C ATOM 1763 CG MET A 113 3.742 7.990 3.627 1.00 0.00 C ATOM 1764 SD MET A 113 4.066 6.246 3.266 1.00 0.00 S ATOM 1765 CE MET A 113 3.127 5.551 4.647 1.00 0.00 C ATOM 0 H MET A 113 1.546 9.628 5.570 1.00 0.00 H new ATOM 0 HA MET A 113 2.754 10.388 2.971 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.624 7.722 3.958 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.048 8.037 2.287 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.399 8.624 3.032 1.00 0.00 H new ATOM 0 HG3 MET A 113 3.957 8.202 4.674 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.534 4.574 4.909 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.199 6.216 5.507 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.081 5.443 4.358 1.00 0.00 H new ATOM 1775 N ASP A 114 0.491 10.254 1.714 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.793 10.587 1.108 1.00 0.00 C ATOM 1777 C ASP A 114 -0.863 10.047 -0.317 1.00 0.00 C ATOM 1778 O ASP A 114 0.124 9.534 -0.843 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.985 12.105 1.093 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.446 12.443 0.816 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.235 11.520 0.697 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.755 13.621 0.726 1.00 0.00 O ATOM 0 H ASP A 114 1.249 10.107 1.047 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.586 10.129 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.681 12.528 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.349 12.553 0.330 1.00 0.00 H new ATOM 1787 N ALA A 115 -2.032 10.164 -0.937 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.211 9.684 -2.303 1.00 0.00 C ATOM 1789 C ALA A 115 -2.760 10.790 -3.197 1.00 0.00 C ATOM 1790 O ALA A 115 -3.973 10.928 -3.357 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.168 8.491 -2.317 1.00 0.00 C ATOM 0 H ALA A 115 -2.863 10.583 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.239 9.375 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.296 8.139 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.757 7.688 -1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.134 8.795 -1.914 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.860 11.574 -3.780 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.265 12.665 -4.658 1.00 0.00 C ATOM 1799 C LEU A 116 -2.401 12.172 -6.096 1.00 0.00 C ATOM 1800 O LEU A 116 -1.727 11.226 -6.505 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.232 13.793 -4.596 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.726 13.942 -3.160 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.194 15.160 -3.063 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.918 14.128 -2.218 1.00 0.00 C ATOM 0 H LEU A 116 -0.852 11.476 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.232 13.040 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.400 13.576 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.678 14.728 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.172 13.047 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.553 15.264 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.043 15.029 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.358 16.056 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.559 14.234 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.471 15.023 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.573 13.260 -2.285 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.260 12.792 -6.856 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.493 12.421 -8.283 1.00 0.00 C ATOM 1818 C PRO A 117 -2.311 12.792 -9.174 1.00 0.00 C ATOM 1819 O PRO A 117 -1.716 13.858 -9.020 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.742 13.218 -8.673 1.00 0.00 C ATOM 1821 CG PRO A 117 -4.769 14.396 -7.754 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.126 13.943 -6.445 1.00 0.00 C ATOM 0 HA PRO A 117 -3.616 11.345 -8.408 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.696 13.535 -9.715 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.643 12.614 -8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.223 15.235 -8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.792 14.734 -7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.541 14.742 -5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.876 13.639 -5.714 1.00 0.00 H new ATOM 1830 N LEU A 118 -1.978 11.906 -10.108 1.00 0.00 N ATOM 1831 CA LEU A 118 -0.865 12.152 -11.016 1.00 0.00 C ATOM 1832 C LEU A 118 -0.927 13.574 -11.563 1.00 0.00 C ATOM 1833 O LEU A 118 -1.663 13.854 -12.510 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.903 11.157 -12.177 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.964 9.731 -11.628 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -0.971 8.738 -12.792 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.258 9.471 -10.745 1.00 0.00 C ATOM 0 H LEU A 118 -2.459 11.019 -10.255 1.00 0.00 H new ATOM 0 HA LEU A 118 0.065 12.025 -10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.770 11.352 -12.808 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.019 11.279 -12.803 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.872 9.607 -11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.014 7.721 -12.402 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.841 8.923 -13.422 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.063 8.862 -13.382 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.214 8.455 -10.354 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.166 9.594 -11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.265 10.179 -9.916 1.00 0.00 H new ATOM 1849 N SER A 119 -0.152 14.469 -10.959 1.00 0.00 N ATOM 1850 CA SER A 119 -0.131 15.861 -11.392 1.00 0.00 C ATOM 1851 C SER A 119 0.431 15.974 -12.806 1.00 0.00 C ATOM 1852 O SER A 119 0.973 15.011 -13.347 1.00 0.00 O ATOM 1853 CB SER A 119 0.722 16.692 -10.434 1.00 0.00 C ATOM 1854 OG SER A 119 0.193 16.583 -9.119 1.00 0.00 O ATOM 0 H SER A 119 0.465 14.258 -10.175 1.00 0.00 H new ATOM 0 HA SER A 119 -1.153 16.239 -11.389 1.00 0.00 H new ATOM 0 HB2 SER A 119 1.755 16.344 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.732 17.735 -10.749 1.00 0.00 H new ATOM 0 HG SER A 119 0.410 15.701 -8.751 1.00 0.00 H new ATOM 1860 N GLU A 120 0.298 17.157 -13.397 1.00 0.00 N ATOM 1861 CA GLU A 120 0.795 17.383 -14.748 1.00 0.00 C ATOM 1862 C GLU A 120 2.248 16.932 -14.863 1.00 0.00 C ATOM 1863 O GLU A 120 2.704 16.541 -15.939 1.00 0.00 O ATOM 1864 CB GLU A 120 0.689 18.867 -15.103 1.00 0.00 C ATOM 1865 CG GLU A 120 1.617 19.678 -14.198 1.00 0.00 C ATOM 1866 CD GLU A 120 1.369 21.169 -14.401 1.00 0.00 C ATOM 1867 OE1 GLU A 120 0.595 21.506 -15.281 1.00 0.00 O ATOM 1868 OE2 GLU A 120 1.956 21.952 -13.672 1.00 0.00 O ATOM 0 H GLU A 120 -0.146 17.968 -12.965 1.00 0.00 H new ATOM 0 HA GLU A 120 0.188 16.801 -15.442 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.957 19.021 -16.148 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.340 19.207 -14.984 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.446 19.411 -13.155 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.657 19.440 -14.422 1.00 0.00 H new ATOM 1875 N GLU A 121 2.970 16.990 -13.749 1.00 0.00 N ATOM 1876 CA GLU A 121 4.370 16.583 -13.735 1.00 0.00 C ATOM 1877 C GLU A 121 4.504 15.118 -14.136 1.00 0.00 C ATOM 1878 O GLU A 121 5.467 14.732 -14.799 1.00 0.00 O ATOM 1879 CB GLU A 121 4.961 16.790 -12.340 1.00 0.00 C ATOM 1880 CG GLU A 121 4.968 18.282 -12.003 1.00 0.00 C ATOM 1881 CD GLU A 121 5.613 18.505 -10.639 1.00 0.00 C ATOM 1882 OE1 GLU A 121 5.838 17.527 -9.944 1.00 0.00 O ATOM 1883 OE2 GLU A 121 5.873 19.651 -10.309 1.00 0.00 O ATOM 0 H GLU A 121 2.612 17.313 -12.850 1.00 0.00 H new ATOM 0 HA GLU A 121 4.915 17.196 -14.453 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.376 16.243 -11.601 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.975 16.393 -12.301 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.515 18.834 -12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.948 18.667 -12.000 1.00 0.00 H new ATOM 1890 N TYR A 122 3.532 14.307 -13.731 1.00 0.00 N ATOM 1891 CA TYR A 122 3.550 12.887 -14.061 1.00 0.00 C ATOM 1892 C TYR A 122 3.559 12.692 -15.574 1.00 0.00 C ATOM 1893 O TYR A 122 4.278 11.838 -16.096 1.00 0.00 O ATOM 1894 CB TYR A 122 2.326 12.193 -13.462 1.00 0.00 C ATOM 1895 CG TYR A 122 2.203 10.804 -14.041 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.094 9.800 -13.645 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.192 10.519 -14.967 1.00 0.00 C ATOM 1898 CE1 TYR A 122 2.975 8.509 -14.176 1.00 0.00 C ATOM 1899 CE2 TYR A 122 1.073 9.228 -15.498 1.00 0.00 C ATOM 1900 CZ TYR A 122 1.966 8.225 -15.103 1.00 0.00 C ATOM 1901 OH TYR A 122 1.849 6.953 -15.628 1.00 0.00 O ATOM 0 H TYR A 122 2.728 14.606 -13.178 1.00 0.00 H new ATOM 0 HA TYR A 122 4.455 12.447 -13.642 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.419 12.140 -12.377 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.426 12.769 -13.677 1.00 0.00 H new ATOM 0 HD1 TYR A 122 3.873 10.020 -12.930 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.504 11.294 -15.272 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.662 7.733 -13.870 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.293 9.007 -16.211 1.00 0.00 H new ATOM 0 HH TYR A 122 1.097 6.926 -16.256 1.00 0.00 H new ATOM 1911 N ARG A 123 2.758 13.490 -16.273 1.00 0.00 N ATOM 1912 CA ARG A 123 2.683 13.398 -17.726 1.00 0.00 C ATOM 1913 C ARG A 123 4.056 13.636 -18.346 1.00 0.00 C ATOM 1914 O ARG A 123 4.444 12.959 -19.299 1.00 0.00 O ATOM 1915 CB ARG A 123 1.692 14.431 -18.265 1.00 0.00 C ATOM 1916 CG ARG A 123 0.303 14.159 -17.683 1.00 0.00 C ATOM 1917 CD ARG A 123 -0.723 15.061 -18.368 1.00 0.00 C ATOM 1918 NE ARG A 123 -0.899 14.662 -19.759 1.00 0.00 N ATOM 1919 CZ ARG A 123 -1.622 15.394 -20.600 1.00 0.00 C ATOM 1920 NH1 ARG A 123 -2.192 16.492 -20.183 1.00 0.00 N ATOM 1921 NH2 ARG A 123 -1.765 15.014 -21.839 1.00 0.00 N ATOM 0 H ARG A 123 2.156 14.202 -15.860 1.00 0.00 H new ATOM 0 HA ARG A 123 2.343 12.397 -17.992 1.00 0.00 H new ATOM 0 HB2 ARG A 123 2.018 15.437 -18.000 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.657 14.384 -19.353 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.036 13.112 -17.827 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.305 14.343 -16.609 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -1.676 15.003 -17.843 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -0.395 16.099 -18.319 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.459 13.805 -20.093 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.082 16.787 -19.213 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -2.747 17.055 -20.827 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.322 14.154 -22.163 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -2.320 15.576 -22.484 1.00 0.00 H new ATOM 1935 N GLN A 124 4.785 14.602 -17.800 1.00 0.00 N ATOM 1936 CA GLN A 124 6.121 14.913 -18.296 1.00 0.00 C ATOM 1937 C GLN A 124 7.081 13.764 -18.007 1.00 0.00 C ATOM 1938 O GLN A 124 7.960 13.458 -18.812 1.00 0.00 O ATOM 1939 CB GLN A 124 6.639 16.193 -17.637 1.00 0.00 C ATOM 1940 CG GLN A 124 5.819 17.386 -18.129 1.00 0.00 C ATOM 1941 CD GLN A 124 6.130 17.663 -19.596 1.00 0.00 C ATOM 1942 OE1 GLN A 124 5.527 17.061 -20.484 1.00 0.00 O ATOM 1943 NE2 GLN A 124 7.044 18.543 -19.905 1.00 0.00 N ATOM 0 H GLN A 124 4.477 15.180 -17.019 1.00 0.00 H new ATOM 0 HA GLN A 124 6.062 15.059 -19.375 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.568 16.111 -16.552 1.00 0.00 H new ATOM 0 HB3 GLN A 124 7.692 16.338 -17.877 1.00 0.00 H new ATOM 0 HG2 GLN A 124 4.755 17.182 -18.006 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.046 18.267 -17.528 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.543 19.041 -19.168 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.259 18.733 -20.884 1.00 0.00 H new ATOM 1952 N HIS A 125 6.906 13.131 -16.851 1.00 0.00 N ATOM 1953 CA HIS A 125 7.762 12.016 -16.465 1.00 0.00 C ATOM 1954 C HIS A 125 7.682 10.897 -17.498 1.00 0.00 C ATOM 1955 O HIS A 125 8.581 10.062 -17.595 1.00 0.00 O ATOM 1956 CB HIS A 125 7.336 11.481 -15.097 1.00 0.00 C ATOM 1957 CG HIS A 125 7.784 10.052 -14.956 1.00 0.00 C ATOM 1958 ND1 HIS A 125 9.106 9.712 -14.714 1.00 0.00 N ATOM 1959 CD2 HIS A 125 7.093 8.867 -14.991 1.00 0.00 C ATOM 1960 CE1 HIS A 125 9.168 8.372 -14.612 1.00 0.00 C ATOM 1961 NE2 HIS A 125 7.968 7.807 -14.773 1.00 0.00 N ATOM 0 H HIS A 125 6.185 13.369 -16.170 1.00 0.00 H new ATOM 0 HA HIS A 125 8.791 12.373 -16.412 1.00 0.00 H new ATOM 0 HB2 HIS A 125 7.772 12.090 -14.305 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.253 11.546 -14.990 1.00 0.00 H new ATOM 0 HD1 HIS A 125 9.889 10.360 -14.629 1.00 0.00 H new ATOM 0 HD2 HIS A 125 6.031 8.771 -15.162 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.077 7.820 -14.423 1.00 0.00 H new ATOM 0 HE2 HIS A 125 7.742 6.813 -14.743 1.00 0.00 H new ATOM 1970 N GLN A 126 6.599 10.889 -18.269 1.00 0.00 N ATOM 1971 CA GLN A 126 6.413 9.873 -19.297 1.00 0.00 C ATOM 1972 C GLN A 126 7.302 10.161 -20.501 1.00 0.00 C ATOM 1973 O GLN A 126 7.685 9.249 -21.235 1.00 0.00 O ATOM 1974 CB GLN A 126 4.948 9.838 -19.736 1.00 0.00 C ATOM 1975 CG GLN A 126 4.060 9.510 -18.534 1.00 0.00 C ATOM 1976 CD GLN A 126 2.601 9.433 -18.968 1.00 0.00 C ATOM 1977 OE1 GLN A 126 2.133 10.279 -19.731 1.00 0.00 O ATOM 1978 NE2 GLN A 126 1.847 8.464 -18.526 1.00 0.00 N ATOM 0 H GLN A 126 5.842 11.570 -18.202 1.00 0.00 H new ATOM 0 HA GLN A 126 6.690 8.905 -18.880 1.00 0.00 H new ATOM 0 HB2 GLN A 126 4.662 10.800 -20.160 1.00 0.00 H new ATOM 0 HB3 GLN A 126 4.810 9.091 -20.518 1.00 0.00 H new ATOM 0 HG2 GLN A 126 4.367 8.562 -18.093 1.00 0.00 H new ATOM 0 HG3 GLN A 126 4.179 10.273 -17.765 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.235 7.764 -17.894 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.870 8.407 -18.812 1.00 0.00 H new ATOM 1987 N ALA A 127 7.627 11.434 -20.700 1.00 0.00 N ATOM 1988 CA ALA A 127 8.452 11.834 -21.834 1.00 0.00 C ATOM 1989 C ALA A 127 9.928 11.595 -21.532 1.00 0.00 C ATOM 1990 O ALA A 127 10.612 10.874 -22.258 1.00 0.00 O ATOM 1991 CB ALA A 127 8.226 13.315 -22.148 1.00 0.00 C ATOM 0 H ALA A 127 7.334 12.202 -20.095 1.00 0.00 H new ATOM 0 HA ALA A 127 8.167 11.233 -22.697 1.00 0.00 H new ATOM 0 HB1 ALA A 127 8.846 13.606 -22.996 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.176 13.479 -22.392 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.495 13.916 -21.279 1.00 0.00 H new ATOM 1997 N GLU A 128 10.411 12.204 -20.453 1.00 0.00 N ATOM 1998 CA GLU A 128 11.815 12.074 -20.079 1.00 0.00 C ATOM 1999 C GLU A 128 12.252 10.614 -20.143 1.00 0.00 C ATOM 2000 O GLU A 128 13.369 10.308 -20.560 1.00 0.00 O ATOM 2001 CB GLU A 128 12.029 12.612 -18.662 1.00 0.00 C ATOM 2002 CG GLU A 128 11.338 11.689 -17.657 1.00 0.00 C ATOM 2003 CD GLU A 128 11.363 12.319 -16.268 1.00 0.00 C ATOM 2004 OE1 GLU A 128 11.932 13.391 -16.136 1.00 0.00 O ATOM 2005 OE2 GLU A 128 10.813 11.723 -15.357 1.00 0.00 O ATOM 0 H GLU A 128 9.856 12.788 -19.827 1.00 0.00 H new ATOM 0 HA GLU A 128 12.415 12.652 -20.781 1.00 0.00 H new ATOM 0 HB2 GLU A 128 13.095 12.674 -18.442 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.627 13.622 -18.580 1.00 0.00 H new ATOM 0 HG2 GLU A 128 10.308 11.508 -17.965 1.00 0.00 H new ATOM 0 HG3 GLU A 128 11.839 10.721 -17.636 1.00 0.00 H new ATOM 2012 N LYS A 129 11.364 9.717 -19.726 1.00 0.00 N ATOM 2013 CA LYS A 129 11.671 8.291 -19.739 1.00 0.00 C ATOM 2014 C LYS A 129 11.335 7.683 -21.096 1.00 0.00 C ATOM 2015 O LYS A 129 11.633 6.517 -21.356 1.00 0.00 O ATOM 2016 CB LYS A 129 10.874 7.576 -18.645 1.00 0.00 C ATOM 2017 CG LYS A 129 9.403 7.496 -19.055 1.00 0.00 C ATOM 2018 CD LYS A 129 8.565 7.027 -17.862 1.00 0.00 C ATOM 2019 CE LYS A 129 9.113 5.695 -17.346 1.00 0.00 C ATOM 2020 NZ LYS A 129 10.262 5.952 -16.431 1.00 0.00 N ATOM 0 H LYS A 129 10.434 9.949 -19.378 1.00 0.00 H new ATOM 0 HA LYS A 129 12.738 8.166 -19.552 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.273 6.574 -18.485 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.971 8.112 -17.701 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.056 8.471 -19.396 1.00 0.00 H new ATOM 0 HG3 LYS A 129 9.284 6.806 -19.890 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.591 7.775 -17.069 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.522 6.913 -18.159 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.331 5.147 -16.820 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.432 5.072 -18.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 11.080 5.385 -16.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 10.510 6.961 -16.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 9.998 5.689 -15.460 1.00 0.00 H new ATOM 2034 N ASP A 130 10.712 8.480 -21.958 1.00 0.00 N ATOM 2035 CA ASP A 130 10.340 8.009 -23.288 1.00 0.00 C ATOM 2036 C ASP A 130 9.490 6.745 -23.191 1.00 0.00 C ATOM 2037 O ASP A 130 9.719 5.776 -23.913 1.00 0.00 O ATOM 2038 CB ASP A 130 11.597 7.719 -24.109 1.00 0.00 C ATOM 2039 CG ASP A 130 12.381 9.007 -24.336 1.00 0.00 C ATOM 2040 OD1 ASP A 130 11.801 10.067 -24.165 1.00 0.00 O ATOM 2041 OD2 ASP A 130 13.549 8.915 -24.677 1.00 0.00 O ATOM 0 H ASP A 130 10.456 9.448 -21.762 1.00 0.00 H new ATOM 0 HA ASP A 130 9.757 8.788 -23.779 1.00 0.00 H new ATOM 0 HB2 ASP A 130 12.220 6.991 -23.590 1.00 0.00 H new ATOM 0 HB3 ASP A 130 11.322 7.278 -25.067 1.00 0.00 H new ATOM 2046 N LYS A 131 8.510 6.765 -22.294 1.00 0.00 N ATOM 2047 CA LYS A 131 7.632 5.615 -22.112 1.00 0.00 C ATOM 2048 C LYS A 131 8.443 4.324 -22.058 1.00 0.00 C ATOM 2049 O LYS A 131 8.784 3.906 -20.965 1.00 0.00 O ATOM 2050 CB LYS A 131 6.624 5.541 -23.261 1.00 0.00 C ATOM 2051 CG LYS A 131 5.586 4.457 -22.960 1.00 0.00 C ATOM 2052 CD LYS A 131 4.608 4.349 -24.131 1.00 0.00 C ATOM 2053 CE LYS A 131 3.498 3.357 -23.779 1.00 0.00 C ATOM 2054 NZ LYS A 131 2.389 3.480 -24.767 1.00 0.00 N ATOM 2055 OXT LYS A 131 8.712 3.773 -23.113 1.00 0.00 O ATOM 0 H LYS A 131 8.305 7.558 -21.686 1.00 0.00 H new ATOM 0 HA LYS A 131 7.099 5.734 -21.169 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.132 6.505 -23.390 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.138 5.318 -24.196 1.00 0.00 H new ATOM 0 HG2 LYS A 131 6.081 3.500 -22.796 1.00 0.00 H new ATOM 0 HG3 LYS A 131 5.048 4.698 -22.044 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.180 5.327 -24.352 1.00 0.00 H new ATOM 0 HD3 LYS A 131 5.133 4.020 -25.028 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.890 2.340 -23.782 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.126 3.553 -22.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 1.634 2.806 -24.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.009 4.448 -24.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.749 3.273 -25.720 1.00 0.00 H new TER 2069 LYS A 131