USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=44 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 122 TYR OH : rot 165:sc= 0.154 USER MOD Set 1.2: A 126 GLN : amide:sc= -0.429! K(o=-0.28!,f=-2.5) USER MOD Set 2.1: A 47 GLN :FLIP amide:sc= -1.05 F(o=-3.4!,f=-1.8) USER MOD Set 2.2: A 100 MET CE :methyl -145:sc= -0.762 (180deg=-2.24!) USER MOD Set 3.1: A 69 CYS SG : rot -33:sc= -3.75! USER MOD Set 3.2: A 107 ASN :FLIP amide:sc= -4.98! C(o=-13!,f=-8.7!) USER MOD Set 4.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 56 GLN : amide:sc= -3.95! C(o=-3.9!,f=-9.7!) USER MOD Set 5.1: A 52 ASN : amide:sc= -1.66 K(o=-4,f=-11!) USER MOD Set 5.2: A 54 THR OG1 : rot 0:sc= -1.35 USER MOD Set 5.3: A 59 MET CE :methyl 164:sc= -0.999 (180deg=-0.0243) USER MOD Set 6.1: A 20 THR OG1 : rot 180:sc= -0.615 USER MOD Set 6.2: A 98 THR OG1 : rot -138:sc= -0.0206 USER MOD Set 7.1: A 7 SER OG : rot 120:sc= -0.475 USER MOD Set 7.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0224) USER MOD Single : A 1 MET N :NH3+ -143:sc= 0.329! (180deg=-1.7!) USER MOD Single : A 3 CYS SG : rot 180:sc= -0.0503 USER MOD Single : A 6 SER OG : rot 140:sc= -0.311 USER MOD Single : A 9 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -37:sc= 0.423 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.455 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.13 F(o=-5.9!,f=-2.1) USER MOD Single : A 27 THR OG1 : rot -130:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= -4.86 (180deg=-5.51!) USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= -0.269 (180deg=-1.52!) USER MOD Single : A 34 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.6!) USER MOD Single : A 42 ASN : amide:sc= -1.39 K(o=-1.4,f=-6.8!) USER MOD Single : A 43 LYS NZ :NH3+ -109:sc= -2.13 (180deg=-4.6!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= -0.831 (180deg=-3.38!) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= -0.352 (180deg=-1.65!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 152:sc= 0.427 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -5.53 K(o=-5.5,f=-11!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.18) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -1.14 (180deg=-2.24) USER MOD Single : A 76 LYS NZ :NH3+ -108:sc= -2.39! (180deg=-4.93!) USER MOD Single : A 77 THR OG1 : rot 130:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.93! C(o=-1.9!,f=-3.2!) USER MOD Single : A 82 GLN :FLIP amide:sc= -1.12 F(o=-3,f=-1.1) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.88 F(o=-14!,f=-3.9) 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= -0.0271 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -150:sc= -0.0513 USER MOD Single : A 112 LYS NZ :NH3+ 159:sc= -0.0421 (180deg=-0.422) USER MOD Single : A 113 MET CE :methyl -161:sc= -0.215 (180deg=-1.66) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.16) USER MOD Single : A 125 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-11!) USER MOD Single : A 129 LYS NZ :NH3+ 157:sc= -0.359 (180deg=-1.38!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.086 -1.851 12.520 1.00 0.00 N ATOM 2 CA MET A 1 3.399 -3.135 11.830 1.00 0.00 C ATOM 3 C MET A 1 2.272 -4.131 12.084 1.00 0.00 C ATOM 4 O MET A 1 2.348 -4.947 13.002 1.00 0.00 O ATOM 5 CB MET A 1 4.719 -3.690 12.365 1.00 0.00 C ATOM 6 CG MET A 1 5.764 -2.574 12.407 1.00 0.00 C ATOM 7 SD MET A 1 5.494 -1.550 13.875 1.00 0.00 S ATOM 8 CE MET A 1 6.332 -0.064 13.272 1.00 0.00 C ATOM 0 H1 MET A 1 3.405 -1.054 11.932 1.00 0.00 H new ATOM 0 H2 MET A 1 2.060 -1.780 12.672 1.00 0.00 H new ATOM 0 H3 MET A 1 3.575 -1.822 13.437 1.00 0.00 H new ATOM 0 HA MET A 1 3.492 -2.965 10.757 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.574 -4.104 13.363 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.067 -4.504 11.730 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.767 -3.001 12.428 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.696 -1.963 11.507 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.348 0.689 14.060 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.354 -0.313 12.987 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.799 0.328 12.406 1.00 0.00 H new ATOM 18 N GLY A 2 1.229 -4.059 11.263 1.00 0.00 N ATOM 19 CA GLY A 2 0.092 -4.962 11.409 1.00 0.00 C ATOM 20 C GLY A 2 0.509 -6.408 11.165 1.00 0.00 C ATOM 21 O GLY A 2 1.289 -6.694 10.256 1.00 0.00 O ATOM 0 H GLY A 2 1.147 -3.391 10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.328 -4.865 12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.692 -4.682 10.706 1.00 0.00 H new ATOM 25 N CYS A 3 -0.014 -7.315 11.983 1.00 0.00 N ATOM 26 CA CYS A 3 0.311 -8.730 11.846 1.00 0.00 C ATOM 27 C CYS A 3 -0.931 -9.589 12.063 1.00 0.00 C ATOM 28 O CYS A 3 -1.769 -9.283 12.912 1.00 0.00 O ATOM 29 CB CYS A 3 1.386 -9.119 12.861 1.00 0.00 C ATOM 30 SG CYS A 3 1.990 -10.785 12.493 1.00 0.00 S ATOM 0 H CYS A 3 -0.660 -7.098 12.742 1.00 0.00 H new ATOM 0 HA CYS A 3 0.685 -8.901 10.837 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.210 -8.406 12.825 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.977 -9.084 13.871 1.00 0.00 H new ATOM 0 HG CYS A 3 2.906 -11.115 13.355 1.00 0.00 H new ATOM 36 N GLY A 4 -1.043 -10.665 11.290 1.00 0.00 N ATOM 37 CA GLY A 4 -2.188 -11.561 11.408 1.00 0.00 C ATOM 38 C GLY A 4 -3.387 -11.015 10.641 1.00 0.00 C ATOM 39 O GLY A 4 -4.532 -11.368 10.927 1.00 0.00 O ATOM 0 H GLY A 4 -0.361 -10.936 10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.924 -12.547 11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.450 -11.687 12.459 1.00 0.00 H new ATOM 43 N ALA A 5 -3.118 -10.153 9.667 1.00 0.00 N ATOM 44 CA ALA A 5 -4.184 -9.563 8.865 1.00 0.00 C ATOM 45 C ALA A 5 -3.705 -9.309 7.440 1.00 0.00 C ATOM 46 O ALA A 5 -2.508 -9.157 7.194 1.00 0.00 O ATOM 47 CB ALA A 5 -4.643 -8.247 9.494 1.00 0.00 C ATOM 0 H ALA A 5 -2.178 -9.849 9.415 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.020 -10.262 8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.439 -7.813 8.889 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.014 -8.435 10.501 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.803 -7.554 9.540 1.00 0.00 H new ATOM 53 N SER A 6 -4.647 -9.261 6.503 1.00 0.00 N ATOM 54 CA SER A 6 -4.309 -9.026 5.105 1.00 0.00 C ATOM 55 C SER A 6 -3.279 -10.043 4.623 1.00 0.00 C ATOM 56 O SER A 6 -2.625 -10.707 5.428 1.00 0.00 O ATOM 57 CB SER A 6 -3.752 -7.613 4.933 1.00 0.00 C ATOM 58 OG SER A 6 -3.121 -7.508 3.663 1.00 0.00 O ATOM 0 H SER A 6 -5.643 -9.381 6.685 1.00 0.00 H new ATOM 0 HA SER A 6 -5.215 -9.134 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.555 -6.881 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.038 -7.392 5.726 1.00 0.00 H new ATOM 0 HG SER A 6 -3.328 -6.636 3.266 1.00 0.00 H new ATOM 64 N SER A 7 -3.140 -10.159 3.307 1.00 0.00 N ATOM 65 CA SER A 7 -2.188 -11.100 2.730 1.00 0.00 C ATOM 66 C SER A 7 -2.387 -12.493 3.318 1.00 0.00 C ATOM 67 O SER A 7 -3.158 -12.675 4.260 1.00 0.00 O ATOM 68 CB SER A 7 -0.759 -10.630 3.001 1.00 0.00 C ATOM 69 OG SER A 7 0.157 -11.576 2.466 1.00 0.00 O ATOM 0 H SER A 7 -3.670 -9.618 2.624 1.00 0.00 H new ATOM 0 HA SER A 7 -2.358 -11.144 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.594 -9.652 2.550 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.598 -10.517 4.073 1.00 0.00 H new ATOM 0 HG SER A 7 0.722 -11.141 1.794 1.00 0.00 H new ATOM 75 N GLU A 8 -1.687 -13.473 2.756 1.00 0.00 N ATOM 76 CA GLU A 8 -1.793 -14.847 3.236 1.00 0.00 C ATOM 77 C GLU A 8 -0.449 -15.335 3.764 1.00 0.00 C ATOM 78 O GLU A 8 0.598 -15.057 3.179 1.00 0.00 O ATOM 79 CB GLU A 8 -2.261 -15.762 2.103 1.00 0.00 C ATOM 80 CG GLU A 8 -3.626 -15.291 1.596 1.00 0.00 C ATOM 81 CD GLU A 8 -4.673 -15.456 2.693 1.00 0.00 C ATOM 82 OE1 GLU A 8 -4.417 -16.205 3.622 1.00 0.00 O ATOM 83 OE2 GLU A 8 -5.717 -14.833 2.587 1.00 0.00 O ATOM 0 H GLU A 8 -1.045 -13.344 1.974 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.520 -14.873 4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.536 -15.751 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.328 -16.791 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.569 -14.246 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.915 -15.866 0.716 1.00 0.00 H new ATOM 90 N ASN A 9 -0.485 -16.065 4.875 1.00 0.00 N ATOM 91 CA ASN A 9 0.739 -16.590 5.471 1.00 0.00 C ATOM 92 C ASN A 9 1.713 -15.458 5.782 1.00 0.00 C ATOM 93 O ASN A 9 2.916 -15.582 5.551 1.00 0.00 O ATOM 94 CB ASN A 9 1.398 -17.587 4.517 1.00 0.00 C ATOM 95 CG ASN A 9 0.403 -18.675 4.129 1.00 0.00 C ATOM 96 OD1 ASN A 9 0.285 -19.018 2.952 1.00 0.00 O ATOM 97 ND2 ASN A 9 -0.325 -19.240 5.052 1.00 0.00 N ATOM 0 H ASN A 9 -1.340 -16.305 5.377 1.00 0.00 H new ATOM 0 HA ASN A 9 0.480 -17.095 6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.750 -17.070 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.271 -18.034 4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.994 -19.968 4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.225 -18.954 6.026 1.00 0.00 H new ATOM 104 N SER A 10 1.185 -14.357 6.306 1.00 0.00 N ATOM 105 CA SER A 10 2.017 -13.208 6.641 1.00 0.00 C ATOM 106 C SER A 10 3.047 -12.953 5.546 1.00 0.00 C ATOM 107 O SER A 10 4.127 -13.544 5.546 1.00 0.00 O ATOM 108 CB SER A 10 2.733 -13.453 7.970 1.00 0.00 C ATOM 109 OG SER A 10 1.794 -13.367 9.033 1.00 0.00 O ATOM 0 H SER A 10 0.192 -14.236 6.507 1.00 0.00 H new ATOM 0 HA SER A 10 1.375 -12.332 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.206 -14.435 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.526 -12.718 8.110 1.00 0.00 H new ATOM 0 HG SER A 10 2.250 -13.525 9.886 1.00 0.00 H new ATOM 115 N SER A 11 2.706 -12.068 4.614 1.00 0.00 N ATOM 116 CA SER A 11 3.608 -11.744 3.515 1.00 0.00 C ATOM 117 C SER A 11 3.183 -10.444 2.840 1.00 0.00 C ATOM 118 O SER A 11 2.693 -9.524 3.496 1.00 0.00 O ATOM 119 CB SER A 11 3.610 -12.877 2.489 1.00 0.00 C ATOM 120 OG SER A 11 3.796 -14.117 3.160 1.00 0.00 O ATOM 0 H SER A 11 1.818 -11.566 4.598 1.00 0.00 H new ATOM 0 HA SER A 11 4.613 -11.619 3.919 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.670 -12.886 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.405 -12.722 1.760 1.00 0.00 H new ATOM 0 HG SER A 11 4.427 -13.997 3.900 1.00 0.00 H new ATOM 126 N VAL A 12 3.371 -10.376 1.526 1.00 0.00 N ATOM 127 CA VAL A 12 3.003 -9.183 0.773 1.00 0.00 C ATOM 128 C VAL A 12 2.383 -9.567 -0.567 1.00 0.00 C ATOM 129 O VAL A 12 2.882 -10.451 -1.262 1.00 0.00 O ATOM 130 CB VAL A 12 4.239 -8.313 0.535 1.00 0.00 C ATOM 131 CG1 VAL A 12 3.802 -6.913 0.100 1.00 0.00 C ATOM 132 CG2 VAL A 12 5.048 -8.215 1.829 1.00 0.00 C ATOM 0 H VAL A 12 3.773 -11.127 0.964 1.00 0.00 H new ATOM 0 HA VAL A 12 2.271 -8.621 1.353 1.00 0.00 H new ATOM 0 HB VAL A 12 4.854 -8.760 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.683 -6.293 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.224 -6.982 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.188 -6.465 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.929 -7.596 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.433 -7.767 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.360 -9.212 2.140 1.00 0.00 H new ATOM 142 N THR A 13 1.291 -8.896 -0.922 1.00 0.00 N ATOM 143 CA THR A 13 0.610 -9.179 -2.180 1.00 0.00 C ATOM 144 C THR A 13 0.445 -7.903 -3.000 1.00 0.00 C ATOM 145 O THR A 13 0.043 -6.865 -2.477 1.00 0.00 O ATOM 146 CB THR A 13 -0.765 -9.790 -1.904 1.00 0.00 C ATOM 147 OG1 THR A 13 -0.669 -10.695 -0.813 1.00 0.00 O ATOM 148 CG2 THR A 13 -1.253 -10.536 -3.147 1.00 0.00 C ATOM 0 H THR A 13 0.862 -8.159 -0.362 1.00 0.00 H new ATOM 0 HA THR A 13 1.215 -9.886 -2.747 1.00 0.00 H new ATOM 0 HB THR A 13 -1.472 -8.998 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.550 -11.086 -0.634 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.233 -10.971 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.327 -9.841 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.548 -11.329 -3.396 1.00 0.00 H new ATOM 156 N TYR A 14 0.756 -7.991 -4.289 1.00 0.00 N ATOM 157 CA TYR A 14 0.637 -6.839 -5.175 1.00 0.00 C ATOM 158 C TYR A 14 -0.469 -7.069 -6.201 1.00 0.00 C ATOM 159 O TYR A 14 -1.047 -8.153 -6.271 1.00 0.00 O ATOM 160 CB TYR A 14 1.963 -6.594 -5.897 1.00 0.00 C ATOM 161 CG TYR A 14 3.067 -6.431 -4.881 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.039 -5.357 -3.983 1.00 0.00 C ATOM 163 CD2 TYR A 14 4.121 -7.352 -4.837 1.00 0.00 C ATOM 164 CE1 TYR A 14 4.063 -5.205 -3.041 1.00 0.00 C ATOM 165 CE2 TYR A 14 5.145 -7.200 -3.894 1.00 0.00 C ATOM 166 CZ TYR A 14 5.116 -6.127 -2.996 1.00 0.00 C ATOM 167 OH TYR A 14 6.125 -5.977 -2.066 1.00 0.00 O ATOM 0 H TYR A 14 1.090 -8.842 -4.741 1.00 0.00 H new ATOM 0 HA TYR A 14 0.386 -5.965 -4.574 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.187 -7.428 -6.562 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.891 -5.701 -6.518 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.227 -4.646 -4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.144 -8.180 -5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.041 -4.376 -2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.957 -7.911 -3.860 1.00 0.00 H new ATOM 0 HH TYR A 14 6.776 -6.702 -2.170 1.00 0.00 H new ATOM 177 N VAL A 15 -0.757 -6.042 -6.994 1.00 0.00 N ATOM 178 CA VAL A 15 -1.801 -6.145 -8.007 1.00 0.00 C ATOM 179 C VAL A 15 -1.357 -5.478 -9.306 1.00 0.00 C ATOM 180 O VAL A 15 -1.333 -6.110 -10.362 1.00 0.00 O ATOM 181 CB VAL A 15 -3.084 -5.479 -7.504 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.731 -4.388 -6.491 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.829 -4.855 -8.686 1.00 0.00 C ATOM 0 H VAL A 15 -0.287 -5.137 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.990 -7.201 -8.200 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.718 -6.226 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.645 -3.914 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.199 -4.831 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.097 -3.640 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.743 -4.380 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.194 -4.108 -9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.081 -5.632 -9.408 1.00 0.00 H new ATOM 193 N ASN A 16 -1.009 -4.199 -9.220 1.00 0.00 N ATOM 194 CA ASN A 16 -0.589 -3.451 -10.399 1.00 0.00 C ATOM 195 C ASN A 16 0.741 -3.979 -10.926 1.00 0.00 C ATOM 196 O ASN A 16 1.033 -3.874 -12.117 1.00 0.00 O ATOM 197 CB ASN A 16 -0.450 -1.967 -10.053 1.00 0.00 C ATOM 198 CG ASN A 16 -1.812 -1.389 -9.680 1.00 0.00 C ATOM 199 OD1 ASN A 16 -1.948 -0.739 -8.558 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.775 -1.535 -10.432 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.009 -3.662 -8.353 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.347 -3.575 -11.173 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.247 -1.842 -9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.036 -1.424 -10.903 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.665 -2.044 -11.309 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.684 -1.147 -10.178 1.00 0.00 H new ATOM 207 N GLY A 17 1.543 -4.548 -10.031 1.00 0.00 N ATOM 208 CA GLY A 17 2.840 -5.089 -10.421 1.00 0.00 C ATOM 209 C GLY A 17 3.723 -5.320 -9.199 1.00 0.00 C ATOM 210 O GLY A 17 3.381 -4.913 -8.088 1.00 0.00 O ATOM 0 H GLY A 17 1.321 -4.646 -9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.701 -6.028 -10.957 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.334 -4.401 -11.107 1.00 0.00 H new ATOM 214 N ARG A 18 4.860 -5.974 -9.411 1.00 0.00 N ATOM 215 CA ARG A 18 5.783 -6.257 -8.318 1.00 0.00 C ATOM 216 C ARG A 18 6.831 -5.155 -8.203 1.00 0.00 C ATOM 217 O ARG A 18 7.208 -4.537 -9.199 1.00 0.00 O ATOM 218 CB ARG A 18 6.475 -7.601 -8.554 1.00 0.00 C ATOM 219 CG ARG A 18 5.513 -8.553 -9.268 1.00 0.00 C ATOM 220 CD ARG A 18 4.397 -8.967 -8.306 1.00 0.00 C ATOM 221 NE ARG A 18 4.951 -9.719 -7.185 1.00 0.00 N ATOM 222 CZ ARG A 18 4.210 -10.591 -6.509 1.00 0.00 C ATOM 223 NH1 ARG A 18 2.965 -10.787 -6.845 1.00 0.00 N ATOM 224 NH2 ARG A 18 4.728 -11.251 -5.509 1.00 0.00 N ATOM 0 H ARG A 18 5.163 -6.316 -10.323 1.00 0.00 H new ATOM 0 HA ARG A 18 5.215 -6.300 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.374 -7.459 -9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.790 -8.031 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.089 -8.067 -10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.050 -9.434 -9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.877 -8.082 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.660 -9.574 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 18 5.924 -9.573 -6.915 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.560 -10.271 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.396 -11.456 -6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.702 -11.098 -5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.159 -11.920 -4.990 1.00 0.00 H new ATOM 238 N PRO A 19 7.298 -4.902 -7.011 1.00 0.00 N ATOM 239 CA PRO A 19 8.343 -3.871 -6.755 1.00 0.00 C ATOM 240 C PRO A 19 9.713 -4.295 -7.277 1.00 0.00 C ATOM 241 O PRO A 19 10.120 -5.446 -7.119 1.00 0.00 O ATOM 242 CB PRO A 19 8.353 -3.742 -5.231 1.00 0.00 C ATOM 243 CG PRO A 19 7.844 -5.049 -4.717 1.00 0.00 C ATOM 244 CD PRO A 19 6.865 -5.592 -5.761 1.00 0.00 C ATOM 0 HA PRO A 19 8.128 -2.933 -7.266 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.358 -3.539 -4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.720 -2.918 -4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.666 -5.747 -4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.348 -4.918 -3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.932 -6.676 -5.853 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.831 -5.357 -5.507 1.00 0.00 H new ATOM 252 N THR A 20 10.420 -3.357 -7.898 1.00 0.00 N ATOM 253 CA THR A 20 11.743 -3.643 -8.441 1.00 0.00 C ATOM 254 C THR A 20 12.774 -3.731 -7.321 1.00 0.00 C ATOM 255 O THR A 20 13.908 -4.157 -7.539 1.00 0.00 O ATOM 256 CB THR A 20 12.151 -2.547 -9.428 1.00 0.00 C ATOM 257 OG1 THR A 20 12.449 -1.357 -8.714 1.00 0.00 O ATOM 258 CG2 THR A 20 11.003 -2.285 -10.406 1.00 0.00 C ATOM 0 H THR A 20 10.102 -2.398 -8.037 1.00 0.00 H new ATOM 0 HA THR A 20 11.703 -4.601 -8.959 1.00 0.00 H new ATOM 0 HB THR A 20 13.032 -2.867 -9.984 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.712 -0.654 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.295 -1.504 -11.109 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.776 -3.200 -10.954 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.120 -1.964 -9.853 1.00 0.00 H new ATOM 266 N PHE A 21 12.371 -3.325 -6.120 1.00 0.00 N ATOM 267 CA PHE A 21 13.267 -3.361 -4.971 1.00 0.00 C ATOM 268 C PHE A 21 12.689 -4.245 -3.870 1.00 0.00 C ATOM 269 O PHE A 21 11.492 -4.196 -3.586 1.00 0.00 O ATOM 270 CB PHE A 21 13.483 -1.945 -4.432 1.00 0.00 C ATOM 271 CG PHE A 21 14.494 -1.980 -3.312 1.00 0.00 C ATOM 272 CD1 PHE A 21 15.863 -1.961 -3.604 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.062 -2.030 -1.981 1.00 0.00 C ATOM 274 CE1 PHE A 21 16.801 -1.993 -2.565 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.000 -2.062 -0.942 1.00 0.00 C ATOM 276 CZ PHE A 21 16.369 -2.044 -1.234 1.00 0.00 C ATOM 0 H PHE A 21 11.436 -2.970 -5.919 1.00 0.00 H new ATOM 0 HA PHE A 21 14.223 -3.776 -5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.832 -1.290 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.540 -1.534 -4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.196 -1.922 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.006 -2.044 -1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.857 -1.978 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.667 -2.101 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.092 -2.069 -0.432 1.00 0.00 H new ATOM 286 N VAL A 22 13.546 -5.053 -3.255 1.00 0.00 N ATOM 287 CA VAL A 22 13.107 -5.947 -2.189 1.00 0.00 C ATOM 288 C VAL A 22 14.128 -5.973 -1.056 1.00 0.00 C ATOM 289 O VAL A 22 15.310 -6.232 -1.278 1.00 0.00 O ATOM 290 CB VAL A 22 12.918 -7.362 -2.740 1.00 0.00 C ATOM 291 CG1 VAL A 22 11.878 -8.104 -1.899 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.436 -7.284 -4.190 1.00 0.00 C ATOM 0 H VAL A 22 14.541 -5.108 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 22 12.158 -5.578 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 22 13.867 -7.896 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.744 -9.112 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.219 -8.160 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.929 -7.570 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.301 -8.292 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.487 -6.749 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.176 -6.756 -4.791 1.00 0.00 H new ATOM 302 N GLY A 23 13.662 -5.705 0.160 1.00 0.00 N ATOM 303 CA GLY A 23 14.544 -5.702 1.321 1.00 0.00 C ATOM 304 C GLY A 23 14.283 -6.916 2.206 1.00 0.00 C ATOM 305 O GLY A 23 14.672 -8.034 1.872 1.00 0.00 O ATOM 0 H GLY A 23 12.687 -5.489 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.583 -5.703 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.392 -4.788 1.896 1.00 0.00 H new ATOM 309 N GLU A 24 13.622 -6.687 3.337 1.00 0.00 N ATOM 310 CA GLU A 24 13.312 -7.771 4.261 1.00 0.00 C ATOM 311 C GLU A 24 11.976 -7.521 4.953 1.00 0.00 C ATOM 312 O GLU A 24 11.060 -8.339 4.871 1.00 0.00 O ATOM 313 CB GLU A 24 14.418 -7.895 5.310 1.00 0.00 C ATOM 314 CG GLU A 24 14.231 -9.192 6.099 1.00 0.00 C ATOM 315 CD GLU A 24 14.530 -10.393 5.207 1.00 0.00 C ATOM 316 OE1 GLU A 24 15.262 -10.224 4.247 1.00 0.00 O ATOM 317 OE2 GLU A 24 14.022 -11.463 5.499 1.00 0.00 O ATOM 0 H GLU A 24 13.293 -5.768 3.633 1.00 0.00 H new ATOM 0 HA GLU A 24 13.245 -8.699 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.395 -7.889 4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.391 -7.039 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.892 -9.199 6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.210 -9.254 6.476 1.00 0.00 H new ATOM 324 N GLU A 25 11.874 -6.386 5.636 1.00 0.00 N ATOM 325 CA GLU A 25 10.642 -6.035 6.334 1.00 0.00 C ATOM 326 C GLU A 25 9.767 -5.141 5.462 1.00 0.00 C ATOM 327 O GLU A 25 10.226 -4.122 4.945 1.00 0.00 O ATOM 328 CB GLU A 25 10.970 -5.311 7.642 1.00 0.00 C ATOM 329 CG GLU A 25 9.700 -5.178 8.484 1.00 0.00 C ATOM 330 CD GLU A 25 9.265 -6.549 8.992 1.00 0.00 C ATOM 331 OE1 GLU A 25 10.114 -7.419 9.091 1.00 0.00 O ATOM 332 OE2 GLU A 25 8.089 -6.707 9.274 1.00 0.00 O ATOM 0 H GLU A 25 12.622 -5.698 5.721 1.00 0.00 H new ATOM 0 HA GLU A 25 10.098 -6.954 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.730 -5.863 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.384 -4.325 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.880 -4.510 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.904 -4.732 7.888 1.00 0.00 H new ATOM 339 N VAL A 26 8.506 -5.528 5.303 1.00 0.00 N ATOM 340 CA VAL A 26 7.576 -4.752 4.491 1.00 0.00 C ATOM 341 C VAL A 26 6.365 -4.331 5.317 1.00 0.00 C ATOM 342 O VAL A 26 5.802 -5.132 6.064 1.00 0.00 O ATOM 343 CB VAL A 26 7.115 -5.580 3.291 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.444 -4.664 2.265 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.325 -6.262 2.648 1.00 0.00 C ATOM 0 H VAL A 26 8.107 -6.368 5.722 1.00 0.00 H new ATOM 0 HA VAL A 26 8.090 -3.857 4.139 1.00 0.00 H new ATOM 0 HB VAL A 26 6.404 -6.336 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.116 -5.255 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.583 -4.176 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.155 -3.908 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.998 -6.853 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.035 -5.505 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.805 -6.915 3.377 1.00 0.00 H new ATOM 355 N THR A 27 5.970 -3.070 5.177 1.00 0.00 N ATOM 356 CA THR A 27 4.827 -2.551 5.918 1.00 0.00 C ATOM 357 C THR A 27 3.963 -1.670 5.021 1.00 0.00 C ATOM 358 O THR A 27 4.472 -0.791 4.325 1.00 0.00 O ATOM 359 CB THR A 27 5.311 -1.739 7.122 1.00 0.00 C ATOM 360 OG1 THR A 27 6.650 -2.100 7.427 1.00 0.00 O ATOM 361 CG2 THR A 27 4.415 -2.026 8.328 1.00 0.00 C ATOM 0 H THR A 27 6.421 -2.393 4.562 1.00 0.00 H new ATOM 0 HA THR A 27 4.229 -3.393 6.265 1.00 0.00 H new ATOM 0 HB THR A 27 5.266 -0.676 6.885 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.725 -2.300 8.383 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.761 -1.447 9.184 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.388 -1.747 8.093 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.457 -3.089 8.568 1.00 0.00 H new ATOM 369 N LYS A 28 2.657 -1.912 5.042 1.00 0.00 N ATOM 370 CA LYS A 28 1.734 -1.137 4.220 1.00 0.00 C ATOM 371 C LYS A 28 1.320 0.141 4.941 1.00 0.00 C ATOM 372 O LYS A 28 0.722 0.093 6.016 1.00 0.00 O ATOM 373 CB LYS A 28 0.493 -1.972 3.900 1.00 0.00 C ATOM 374 CG LYS A 28 0.891 -3.442 3.750 1.00 0.00 C ATOM 375 CD LYS A 28 -0.291 -4.235 3.189 1.00 0.00 C ATOM 376 CE LYS A 28 -1.497 -4.083 4.119 1.00 0.00 C ATOM 377 NZ LYS A 28 -2.221 -2.823 3.791 1.00 0.00 N ATOM 0 H LYS A 28 2.216 -2.632 5.614 1.00 0.00 H new ATOM 0 HA LYS A 28 2.239 -0.869 3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.246 -1.864 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.028 -1.615 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.751 -3.531 3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.191 -3.849 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.541 -3.877 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.023 -5.287 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.164 -4.938 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.169 -4.066 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.381 -2.278 4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.652 -2.258 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.136 -3.052 3.353 1.00 0.00 H new ATOM 391 N GLY A 29 1.641 1.283 4.342 1.00 0.00 N ATOM 392 CA GLY A 29 1.295 2.569 4.935 1.00 0.00 C ATOM 393 C GLY A 29 -0.173 2.604 5.345 1.00 0.00 C ATOM 394 O GLY A 29 -0.504 2.432 6.517 1.00 0.00 O ATOM 0 H GLY A 29 2.137 1.344 3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.924 2.753 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.496 3.368 4.222 1.00 0.00 H new ATOM 398 N PHE A 30 -1.048 2.829 4.370 1.00 0.00 N ATOM 399 CA PHE A 30 -2.481 2.880 4.640 1.00 0.00 C ATOM 400 C PHE A 30 -3.073 1.474 4.665 1.00 0.00 C ATOM 401 O PHE A 30 -2.974 0.731 3.689 1.00 0.00 O ATOM 402 CB PHE A 30 -3.184 3.713 3.568 1.00 0.00 C ATOM 403 CG PHE A 30 -2.729 5.149 3.669 1.00 0.00 C ATOM 404 CD1 PHE A 30 -3.096 5.923 4.777 1.00 0.00 C ATOM 405 CD2 PHE A 30 -1.941 5.707 2.656 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.674 7.254 4.872 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.518 7.038 2.751 1.00 0.00 C ATOM 408 CZ PHE A 30 -1.885 7.812 3.859 1.00 0.00 C ATOM 0 H PHE A 30 -0.793 2.978 3.394 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.632 3.342 5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.958 3.317 2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.265 3.653 3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.705 5.493 5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.659 5.111 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.957 7.851 5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.909 7.468 1.970 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.559 8.839 3.932 1.00 0.00 H new ATOM 418 N GLU A 31 -3.687 1.116 5.788 1.00 0.00 N ATOM 419 CA GLU A 31 -4.295 -0.201 5.928 1.00 0.00 C ATOM 420 C GLU A 31 -5.416 -0.386 4.910 1.00 0.00 C ATOM 421 O GLU A 31 -5.701 -1.504 4.481 1.00 0.00 O ATOM 422 CB GLU A 31 -4.856 -0.368 7.343 1.00 0.00 C ATOM 423 CG GLU A 31 -5.269 -1.826 7.559 1.00 0.00 C ATOM 424 CD GLU A 31 -4.032 -2.715 7.615 1.00 0.00 C ATOM 425 OE1 GLU A 31 -2.974 -2.205 7.945 1.00 0.00 O ATOM 426 OE2 GLU A 31 -4.160 -3.893 7.325 1.00 0.00 O ATOM 0 H GLU A 31 -3.776 1.715 6.609 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.529 -0.955 5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.107 -0.078 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.714 0.289 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.836 -1.919 8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.924 -2.151 6.751 1.00 0.00 H new ATOM 433 N LYS A 32 -6.048 0.719 4.526 1.00 0.00 N ATOM 434 CA LYS A 32 -7.139 0.666 3.559 1.00 0.00 C ATOM 435 C LYS A 32 -6.631 0.170 2.208 1.00 0.00 C ATOM 436 O LYS A 32 -5.446 0.284 1.899 1.00 0.00 O ATOM 437 CB LYS A 32 -7.760 2.054 3.395 1.00 0.00 C ATOM 438 CG LYS A 32 -9.144 1.922 2.757 1.00 0.00 C ATOM 439 CD LYS A 32 -9.696 3.314 2.441 1.00 0.00 C ATOM 440 CE LYS A 32 -10.313 3.918 3.704 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.394 3.023 4.205 1.00 0.00 N ATOM 0 H LYS A 32 -5.826 1.655 4.866 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.895 -0.027 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.840 2.545 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.119 2.679 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.080 1.329 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.819 1.396 3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.898 3.957 2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.446 3.249 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.548 4.046 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.716 4.907 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.127 3.593 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.815 2.507 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.995 2.344 4.884 1.00 0.00 H new ATOM 455 N ASP A 33 -7.538 -0.379 1.407 1.00 0.00 N ATOM 456 CA ASP A 33 -7.172 -0.882 0.088 1.00 0.00 C ATOM 457 C ASP A 33 -6.139 -1.997 0.208 1.00 0.00 C ATOM 458 O ASP A 33 -5.994 -2.610 1.266 1.00 0.00 O ATOM 459 CB ASP A 33 -6.605 0.255 -0.765 1.00 0.00 C ATOM 460 CG ASP A 33 -7.576 1.429 -0.782 1.00 0.00 C ATOM 461 OD1 ASP A 33 -8.755 1.195 -0.991 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.127 2.546 -0.586 1.00 0.00 O ATOM 0 H ASP A 33 -8.524 -0.487 1.645 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.066 -1.282 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.642 0.575 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.428 -0.096 -1.782 1.00 0.00 H new ATOM 467 N ASN A 34 -5.422 -2.254 -0.881 1.00 0.00 N ATOM 468 CA ASN A 34 -4.413 -3.306 -0.889 1.00 0.00 C ATOM 469 C ASN A 34 -3.108 -2.803 -0.281 1.00 0.00 C ATOM 470 O ASN A 34 -2.042 -3.374 -0.514 1.00 0.00 O ATOM 471 CB ASN A 34 -4.162 -3.780 -2.322 1.00 0.00 C ATOM 472 CG ASN A 34 -5.429 -4.410 -2.892 1.00 0.00 C ATOM 473 OD1 ASN A 34 -6.346 -4.747 -2.144 1.00 0.00 O ATOM 474 ND2 ASN A 34 -5.534 -4.591 -4.179 1.00 0.00 N ATOM 0 H ASN A 34 -5.520 -1.752 -1.763 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.781 -4.139 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.853 -2.939 -2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.347 -4.504 -2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.378 -5.013 -4.568 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.773 -4.311 -4.797 1.00 0.00 H new ATOM 481 N GLY A 35 -3.199 -1.729 0.496 1.00 0.00 N ATOM 482 CA GLY A 35 -2.018 -1.156 1.132 1.00 0.00 C ATOM 483 C GLY A 35 -1.508 0.048 0.349 1.00 0.00 C ATOM 484 O GLY A 35 -0.800 0.898 0.888 1.00 0.00 O ATOM 0 H GLY A 35 -4.071 -1.241 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.259 -0.856 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.234 -1.910 1.198 1.00 0.00 H new ATOM 488 N LEU A 36 -1.875 0.117 -0.927 1.00 0.00 N ATOM 489 CA LEU A 36 -1.452 1.224 -1.776 1.00 0.00 C ATOM 490 C LEU A 36 0.070 1.278 -1.869 1.00 0.00 C ATOM 491 O LEU A 36 0.654 0.869 -2.873 1.00 0.00 O ATOM 492 CB LEU A 36 -1.977 2.545 -1.210 1.00 0.00 C ATOM 493 CG LEU A 36 -3.462 2.402 -0.873 1.00 0.00 C ATOM 494 CD1 LEU A 36 -3.994 3.731 -0.334 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.236 2.019 -2.138 1.00 0.00 C ATOM 0 H LEU A 36 -2.461 -0.576 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.860 1.068 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.415 2.819 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.833 3.346 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.590 1.627 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.052 3.629 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.443 4.006 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.867 4.507 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.295 1.917 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.107 2.795 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.858 1.072 -2.523 1.00 0.00 H new ATOM 507 N LEU A 37 0.707 1.784 -0.818 1.00 0.00 N ATOM 508 CA LEU A 37 2.161 1.891 -0.796 1.00 0.00 C ATOM 509 C LEU A 37 2.754 0.940 0.238 1.00 0.00 C ATOM 510 O LEU A 37 2.280 0.866 1.372 1.00 0.00 O ATOM 511 CB LEU A 37 2.575 3.326 -0.467 1.00 0.00 C ATOM 512 CG LEU A 37 4.095 3.456 -0.577 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.488 3.641 -2.043 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.562 4.670 0.231 1.00 0.00 C ATOM 0 H LEU A 37 0.243 2.124 0.024 1.00 0.00 H new ATOM 0 HA LEU A 37 2.540 1.620 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.089 4.022 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.249 3.588 0.539 1.00 0.00 H new ATOM 0 HG LEU A 37 4.565 2.554 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.571 3.734 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.155 2.778 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.018 4.543 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.645 4.764 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.091 5.571 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.283 4.540 1.277 1.00 0.00 H new ATOM 526 N PHE A 38 3.793 0.215 -0.161 1.00 0.00 N ATOM 527 CA PHE A 38 4.450 -0.724 0.741 1.00 0.00 C ATOM 528 C PHE A 38 5.781 -0.158 1.224 1.00 0.00 C ATOM 529 O PHE A 38 6.619 0.253 0.422 1.00 0.00 O ATOM 530 CB PHE A 38 4.687 -2.056 0.028 1.00 0.00 C ATOM 531 CG PHE A 38 3.362 -2.639 -0.403 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.767 -2.216 -1.597 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.730 -3.601 0.393 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.539 -2.757 -1.997 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.501 -4.141 -0.006 1.00 0.00 C ATOM 536 CZ PHE A 38 0.906 -3.719 -1.201 1.00 0.00 C ATOM 0 H PHE A 38 4.197 0.258 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 38 3.802 -0.886 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.330 -1.907 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.203 -2.750 0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.255 -1.472 -2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.190 -3.927 1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.080 -2.432 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.012 -4.883 0.608 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.042 -4.136 -1.509 1.00 0.00 H new ATOM 546 N ARG A 39 5.970 -0.142 2.540 1.00 0.00 N ATOM 547 CA ARG A 39 7.208 0.368 3.117 1.00 0.00 C ATOM 548 C ARG A 39 8.270 -0.724 3.163 1.00 0.00 C ATOM 549 O ARG A 39 8.286 -1.551 4.075 1.00 0.00 O ATOM 550 CB ARG A 39 6.949 0.890 4.532 1.00 0.00 C ATOM 551 CG ARG A 39 8.227 1.525 5.083 1.00 0.00 C ATOM 552 CD ARG A 39 7.941 2.145 6.452 1.00 0.00 C ATOM 553 NE ARG A 39 7.603 1.103 7.416 1.00 0.00 N ATOM 554 CZ ARG A 39 7.210 1.408 8.647 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.120 2.658 9.013 1.00 0.00 N ATOM 556 NH2 ARG A 39 6.912 0.458 9.492 1.00 0.00 N ATOM 0 H ARG A 39 5.288 -0.474 3.222 1.00 0.00 H new ATOM 0 HA ARG A 39 7.569 1.183 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.142 1.623 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.627 0.074 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.011 0.773 5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.592 2.288 4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.813 2.701 6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.120 2.857 6.372 1.00 0.00 H new ATOM 0 HE ARG A 39 7.670 0.123 7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.352 3.401 8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.818 2.892 9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.981 -0.519 9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.610 0.693 10.438 1.00 0.00 H new ATOM 570 N ILE A 40 9.156 -0.723 2.171 1.00 0.00 N ATOM 571 CA ILE A 40 10.210 -1.728 2.100 1.00 0.00 C ATOM 572 C ILE A 40 11.435 -1.274 2.887 1.00 0.00 C ATOM 573 O ILE A 40 11.903 -0.146 2.731 1.00 0.00 O ATOM 574 CB ILE A 40 10.600 -1.973 0.641 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.345 -2.288 -0.175 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.568 -3.154 0.563 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.705 -2.349 -1.661 1.00 0.00 C ATOM 0 H ILE A 40 9.165 -0.043 1.411 1.00 0.00 H new ATOM 0 HA ILE A 40 9.835 -2.654 2.536 1.00 0.00 H new ATOM 0 HB ILE A 40 11.082 -1.082 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.918 -3.238 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.586 -1.524 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.846 -3.329 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.462 -2.931 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.087 -4.046 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.811 -2.573 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.112 -1.388 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.449 -3.129 -1.823 1.00 0.00 H new ATOM 589 N VAL A 41 11.951 -2.159 3.735 1.00 0.00 N ATOM 590 CA VAL A 41 13.120 -1.836 4.544 1.00 0.00 C ATOM 591 C VAL A 41 14.111 -2.995 4.543 1.00 0.00 C ATOM 592 O VAL A 41 13.754 -4.130 4.859 1.00 0.00 O ATOM 593 CB VAL A 41 12.691 -1.529 5.980 1.00 0.00 C ATOM 594 CG1 VAL A 41 13.912 -1.109 6.800 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.667 -0.393 5.973 1.00 0.00 C ATOM 0 H VAL A 41 11.581 -3.099 3.879 1.00 0.00 H new ATOM 0 HA VAL A 41 13.605 -0.960 4.114 1.00 0.00 H new ATOM 0 HB VAL A 41 12.245 -2.419 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.606 -0.890 7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.643 -1.918 6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.359 -0.219 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.360 -0.173 6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.114 0.497 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.796 -0.692 5.389 1.00 0.00 H new ATOM 605 N ASN A 42 15.356 -2.701 4.184 1.00 0.00 N ATOM 606 CA ASN A 42 16.394 -3.725 4.152 1.00 0.00 C ATOM 607 C ASN A 42 17.332 -3.575 5.345 1.00 0.00 C ATOM 608 O ASN A 42 18.220 -2.724 5.346 1.00 0.00 O ATOM 609 CB ASN A 42 17.196 -3.616 2.853 1.00 0.00 C ATOM 610 CG ASN A 42 17.865 -4.950 2.539 1.00 0.00 C ATOM 611 OD1 ASN A 42 18.357 -5.627 3.442 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.913 -5.370 1.305 1.00 0.00 N ATOM 0 H ASN A 42 15.670 -1.769 3.913 1.00 0.00 H new ATOM 0 HA ASN A 42 15.915 -4.703 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.538 -3.328 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.950 -2.835 2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.359 -6.261 1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.505 -4.807 0.559 1.00 0.00 H new ATOM 619 N LYS A 43 17.125 -4.407 6.362 1.00 0.00 N ATOM 620 CA LYS A 43 17.953 -4.353 7.561 1.00 0.00 C ATOM 621 C LYS A 43 19.431 -4.463 7.200 1.00 0.00 C ATOM 622 O LYS A 43 20.292 -3.927 7.899 1.00 0.00 O ATOM 623 CB LYS A 43 17.573 -5.493 8.509 1.00 0.00 C ATOM 624 CG LYS A 43 16.143 -5.283 9.011 1.00 0.00 C ATOM 625 CD LYS A 43 15.860 -6.250 10.162 1.00 0.00 C ATOM 626 CE LYS A 43 15.969 -7.689 9.659 1.00 0.00 C ATOM 627 NZ LYS A 43 17.399 -8.112 9.671 1.00 0.00 N ATOM 0 H LYS A 43 16.397 -5.121 6.380 1.00 0.00 H new ATOM 0 HA LYS A 43 17.782 -3.396 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 43 17.652 -6.450 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.264 -5.526 9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.011 -4.254 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.434 -5.448 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.568 -6.083 10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.864 -6.069 10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.377 -8.352 10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.565 -7.764 8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.747 -8.186 8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.965 -7.409 10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.484 -9.036 10.140 1.00 0.00 H new ATOM 641 N LYS A 44 19.719 -5.159 6.106 1.00 0.00 N ATOM 642 CA LYS A 44 21.098 -5.331 5.663 1.00 0.00 C ATOM 643 C LYS A 44 21.775 -3.977 5.477 1.00 0.00 C ATOM 644 O LYS A 44 22.661 -3.604 6.246 1.00 0.00 O ATOM 645 CB LYS A 44 21.130 -6.106 4.345 1.00 0.00 C ATOM 646 CG LYS A 44 22.559 -6.576 4.064 1.00 0.00 C ATOM 647 CD LYS A 44 22.696 -6.941 2.584 1.00 0.00 C ATOM 648 CE LYS A 44 21.568 -7.895 2.187 1.00 0.00 C ATOM 649 NZ LYS A 44 21.887 -8.523 0.874 1.00 0.00 N ATOM 0 H LYS A 44 19.022 -5.610 5.513 1.00 0.00 H new ATOM 0 HA LYS A 44 21.638 -5.891 6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.458 -6.962 4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.777 -5.474 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.269 -5.790 4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 44 22.798 -7.439 4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 44 22.657 -6.040 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 44 23.663 -7.409 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.443 -8.664 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.624 -7.353 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.120 -9.172 0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 21.986 -7.783 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 22.778 -9.053 0.950 1.00 0.00 H new ATOM 663 N LYS A 45 21.354 -3.247 4.450 1.00 0.00 N ATOM 664 CA LYS A 45 21.927 -1.935 4.172 1.00 0.00 C ATOM 665 C LYS A 45 21.140 -0.843 4.890 1.00 0.00 C ATOM 666 O LYS A 45 21.508 0.331 4.847 1.00 0.00 O ATOM 667 CB LYS A 45 21.916 -1.670 2.665 1.00 0.00 C ATOM 668 CG LYS A 45 22.820 -2.687 1.964 1.00 0.00 C ATOM 669 CD LYS A 45 22.905 -2.352 0.473 1.00 0.00 C ATOM 670 CE LYS A 45 23.713 -3.435 -0.247 1.00 0.00 C ATOM 671 NZ LYS A 45 22.995 -4.737 -0.150 1.00 0.00 N ATOM 0 H LYS A 45 20.624 -3.538 3.801 1.00 0.00 H new ATOM 0 HA LYS A 45 22.955 -1.923 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 45 20.899 -1.744 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.262 -0.657 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 45 23.815 -2.672 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.426 -3.694 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.904 -2.286 0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 45 23.376 -1.379 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.855 -3.163 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.704 -3.520 0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.576 -5.415 0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 22.088 -4.598 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 22.819 -5.108 -1.105 1.00 0.00 H new ATOM 685 N LYS A 46 20.056 -1.237 5.549 1.00 0.00 N ATOM 686 CA LYS A 46 19.222 -0.284 6.272 1.00 0.00 C ATOM 687 C LYS A 46 18.741 0.825 5.341 1.00 0.00 C ATOM 688 O LYS A 46 18.567 1.969 5.762 1.00 0.00 O ATOM 689 CB LYS A 46 20.013 0.328 7.429 1.00 0.00 C ATOM 690 CG LYS A 46 19.708 -0.438 8.718 1.00 0.00 C ATOM 691 CD LYS A 46 18.405 0.084 9.326 1.00 0.00 C ATOM 692 CE LYS A 46 17.703 -1.048 10.079 1.00 0.00 C ATOM 693 NZ LYS A 46 18.724 -1.950 10.682 1.00 0.00 N ATOM 0 H LYS A 46 19.735 -2.204 5.598 1.00 0.00 H new ATOM 0 HA LYS A 46 18.354 -0.815 6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.081 0.289 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.750 1.379 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.622 -1.504 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.527 -0.317 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.614 0.911 10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.755 0.471 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.060 -0.638 10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.062 -1.609 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.320 -2.425 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.013 -2.663 9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.553 -1.392 10.971 1.00 0.00 H new ATOM 707 N GLN A 47 18.523 0.479 4.076 1.00 0.00 N ATOM 708 CA GLN A 47 18.054 1.455 3.100 1.00 0.00 C ATOM 709 C GLN A 47 16.550 1.313 2.883 1.00 0.00 C ATOM 710 O GLN A 47 16.062 0.235 2.544 1.00 0.00 O ATOM 711 CB GLN A 47 18.784 1.262 1.770 1.00 0.00 C ATOM 712 CG GLN A 47 18.376 -0.077 1.152 1.00 0.00 C ATOM 713 CD GLN A 47 19.421 -0.519 0.132 1.00 0.00 C ATOM 714 OE1 GLN A 47 20.332 0.326 -0.263 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 19.406 -1.666 -0.315 1.00 0.00 N flip ATOM 0 H GLN A 47 18.662 -0.461 3.706 1.00 0.00 H new ATOM 0 HA GLN A 47 18.263 2.453 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.542 2.078 1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.862 1.288 1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.275 -0.832 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.402 0.016 0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.692 -2.325 -0.004 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.107 -1.957 -0.996 1.00 0.00 H new ATOM 724 N TRP A 48 15.822 2.407 3.083 1.00 0.00 N ATOM 725 CA TRP A 48 14.375 2.390 2.913 1.00 0.00 C ATOM 726 C TRP A 48 14.002 2.611 1.451 1.00 0.00 C ATOM 727 O TRP A 48 14.673 3.355 0.734 1.00 0.00 O ATOM 728 CB TRP A 48 13.735 3.479 3.775 1.00 0.00 C ATOM 729 CG TRP A 48 13.883 3.127 5.221 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.672 2.140 5.703 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.240 3.739 6.377 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.556 2.107 7.081 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.684 3.074 7.544 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.325 4.797 6.523 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.236 3.444 8.812 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.872 5.173 7.799 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.326 4.497 8.940 1.00 0.00 C ATOM 0 H TRP A 48 16.207 3.310 3.361 1.00 0.00 H new ATOM 0 HA TRP A 48 14.004 1.414 3.226 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.208 4.440 3.574 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.680 3.584 3.522 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.292 1.485 5.109 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.053 1.450 7.682 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.969 5.323 5.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.590 2.921 9.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 11.170 5.987 7.901 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.973 4.790 9.918 1.00 0.00 H new ATOM 748 N ALA A 49 12.927 1.962 1.015 1.00 0.00 N ATOM 749 CA ALA A 49 12.470 2.097 -0.364 1.00 0.00 C ATOM 750 C ALA A 49 10.946 2.077 -0.424 1.00 0.00 C ATOM 751 O ALA A 49 10.291 1.464 0.420 1.00 0.00 O ATOM 752 CB ALA A 49 13.031 0.957 -1.215 1.00 0.00 C ATOM 0 H ALA A 49 12.359 1.341 1.592 1.00 0.00 H new ATOM 0 HA ALA A 49 12.827 3.050 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.685 1.066 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.120 0.989 -1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.688 0.002 -0.816 1.00 0.00 H new ATOM 758 N TYR A 50 10.386 2.751 -1.423 1.00 0.00 N ATOM 759 CA TYR A 50 8.937 2.803 -1.577 1.00 0.00 C ATOM 760 C TYR A 50 8.529 2.391 -2.987 1.00 0.00 C ATOM 761 O TYR A 50 9.166 2.779 -3.967 1.00 0.00 O ATOM 762 CB TYR A 50 8.432 4.217 -1.290 1.00 0.00 C ATOM 763 CG TYR A 50 8.532 4.495 0.190 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.671 3.847 1.084 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.488 5.399 0.670 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.765 4.104 2.457 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.582 5.655 2.042 1.00 0.00 C ATOM 768 CZ TYR A 50 8.721 5.008 2.937 1.00 0.00 C ATOM 769 OH TYR A 50 8.814 5.260 4.290 1.00 0.00 O ATOM 0 H TYR A 50 10.908 3.265 -2.133 1.00 0.00 H new ATOM 0 HA TYR A 50 8.492 2.107 -0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.020 4.945 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.399 4.320 -1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.934 3.149 0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.153 5.899 -0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.100 3.605 3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.319 6.352 2.411 1.00 0.00 H new ATOM 0 HH TYR A 50 9.529 5.910 4.453 1.00 0.00 H new ATOM 779 N TYR A 51 7.461 1.605 -3.081 1.00 0.00 N ATOM 780 CA TYR A 51 6.964 1.155 -4.376 1.00 0.00 C ATOM 781 C TYR A 51 5.516 1.595 -4.574 1.00 0.00 C ATOM 782 O TYR A 51 4.636 1.231 -3.794 1.00 0.00 O ATOM 783 CB TYR A 51 7.057 -0.369 -4.469 1.00 0.00 C ATOM 784 CG TYR A 51 6.195 -0.858 -5.608 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.650 -0.751 -6.928 1.00 0.00 C ATOM 786 CD2 TYR A 51 4.939 -1.418 -5.345 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.851 -1.205 -7.983 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.140 -1.873 -6.400 1.00 0.00 C ATOM 789 CZ TYR A 51 4.596 -1.765 -7.720 1.00 0.00 C ATOM 790 OH TYR A 51 3.808 -2.213 -8.761 1.00 0.00 O ATOM 0 H TYR A 51 6.926 1.268 -2.281 1.00 0.00 H new ATOM 0 HA TYR A 51 7.577 1.603 -5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.092 -0.672 -4.626 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.731 -0.822 -3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.618 -0.318 -7.132 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.587 -1.499 -4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.203 -1.123 -9.001 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.172 -2.307 -6.197 1.00 0.00 H new ATOM 0 HH TYR A 51 3.228 -2.937 -8.444 1.00 0.00 H new ATOM 800 N ASN A 52 5.278 2.378 -5.620 1.00 0.00 N ATOM 801 CA ASN A 52 3.932 2.863 -5.907 1.00 0.00 C ATOM 802 C ASN A 52 3.174 1.865 -6.775 1.00 0.00 C ATOM 803 O ASN A 52 3.695 1.378 -7.779 1.00 0.00 O ATOM 804 CB ASN A 52 4.004 4.212 -6.624 1.00 0.00 C ATOM 805 CG ASN A 52 2.603 4.790 -6.788 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.617 4.138 -6.443 1.00 0.00 O ATOM 807 ND2 ASN A 52 2.454 5.983 -7.296 1.00 0.00 N ATOM 0 H ASN A 52 5.992 2.689 -6.279 1.00 0.00 H new ATOM 0 HA ASN A 52 3.402 2.981 -4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.627 4.903 -6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.473 4.090 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.520 6.377 -7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.272 6.522 -7.581 1.00 0.00 H new ATOM 814 N ASP A 53 1.939 1.566 -6.383 1.00 0.00 N ATOM 815 CA ASP A 53 1.117 0.622 -7.131 1.00 0.00 C ATOM 816 C ASP A 53 -0.018 1.350 -7.843 1.00 0.00 C ATOM 817 O ASP A 53 -0.373 1.012 -8.973 1.00 0.00 O ATOM 818 CB ASP A 53 0.536 -0.430 -6.183 1.00 0.00 C ATOM 819 CG ASP A 53 -0.447 0.225 -5.218 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.301 1.410 -4.969 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.331 -0.470 -4.743 1.00 0.00 O ATOM 0 H ASP A 53 1.488 1.961 -5.558 1.00 0.00 H new ATOM 0 HA ASP A 53 1.744 0.132 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.032 -1.209 -6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.339 -0.913 -5.626 1.00 0.00 H new ATOM 826 N THR A 54 -0.582 2.352 -7.176 1.00 0.00 N ATOM 827 CA THR A 54 -1.679 3.121 -7.754 1.00 0.00 C ATOM 828 C THR A 54 -1.256 3.740 -9.082 1.00 0.00 C ATOM 829 O THR A 54 -0.271 4.475 -9.149 1.00 0.00 O ATOM 830 CB THR A 54 -2.108 4.225 -6.786 1.00 0.00 C ATOM 831 OG1 THR A 54 -0.955 4.884 -6.279 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.899 3.615 -5.629 1.00 0.00 C ATOM 0 H THR A 54 -0.300 2.649 -6.242 1.00 0.00 H new ATOM 0 HA THR A 54 -2.518 2.448 -7.931 1.00 0.00 H new ATOM 0 HB THR A 54 -2.736 4.944 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.151 4.483 -6.669 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.203 4.403 -4.941 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.784 3.112 -6.019 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.274 2.894 -5.101 1.00 0.00 H new ATOM 840 N THR A 55 -2.007 3.438 -10.135 1.00 0.00 N ATOM 841 CA THR A 55 -1.701 3.972 -11.458 1.00 0.00 C ATOM 842 C THR A 55 -2.545 5.208 -11.748 1.00 0.00 C ATOM 843 O THR A 55 -2.571 5.704 -12.874 1.00 0.00 O ATOM 844 CB THR A 55 -1.967 2.907 -12.524 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.323 2.490 -12.444 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.047 1.708 -12.292 1.00 0.00 C ATOM 0 H THR A 55 -2.826 2.831 -10.100 1.00 0.00 H new ATOM 0 HA THR A 55 -0.648 4.254 -11.480 1.00 0.00 H new ATOM 0 HB THR A 55 -1.772 3.324 -13.512 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.497 1.809 -13.127 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.238 0.950 -13.052 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.007 2.030 -12.353 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.239 1.288 -11.305 1.00 0.00 H new ATOM 854 N GLN A 56 -3.237 5.701 -10.725 1.00 0.00 N ATOM 855 CA GLN A 56 -4.077 6.882 -10.882 1.00 0.00 C ATOM 856 C GLN A 56 -3.662 7.971 -9.897 1.00 0.00 C ATOM 857 O GLN A 56 -4.047 9.132 -10.042 1.00 0.00 O ATOM 858 CB GLN A 56 -5.544 6.515 -10.649 1.00 0.00 C ATOM 859 CG GLN A 56 -5.629 5.369 -9.639 1.00 0.00 C ATOM 860 CD GLN A 56 -5.292 4.048 -10.321 1.00 0.00 C ATOM 861 OE1 GLN A 56 -4.415 3.317 -9.861 1.00 0.00 O ATOM 862 NE2 GLN A 56 -5.941 3.696 -11.397 1.00 0.00 N ATOM 0 H GLN A 56 -3.233 5.304 -9.785 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.953 7.259 -11.897 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.092 7.381 -10.279 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.010 6.221 -11.589 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.939 5.548 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.631 5.323 -9.213 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.667 4.304 -11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.722 2.813 -11.859 1.00 0.00 H new ATOM 871 N TYR A 57 -2.879 7.588 -8.895 1.00 0.00 N ATOM 872 CA TYR A 57 -2.413 8.544 -7.896 1.00 0.00 C ATOM 873 C TYR A 57 -0.930 8.336 -7.604 1.00 0.00 C ATOM 874 O TYR A 57 -0.432 7.211 -7.638 1.00 0.00 O ATOM 875 CB TYR A 57 -3.215 8.382 -6.605 1.00 0.00 C ATOM 876 CG TYR A 57 -4.629 7.967 -6.938 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.459 8.830 -7.663 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.109 6.718 -6.523 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.769 8.445 -7.973 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.419 6.333 -6.833 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.250 7.197 -7.558 1.00 0.00 C ATOM 882 OH TYR A 57 -8.541 6.819 -7.864 1.00 0.00 O ATOM 0 H TYR A 57 -2.555 6.631 -8.753 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.556 9.550 -8.290 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.747 7.634 -5.965 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.221 9.319 -6.048 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.089 9.793 -7.983 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.468 6.052 -5.964 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.409 9.111 -8.533 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.789 5.370 -6.513 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.714 5.924 -7.503 1.00 0.00 H new ATOM 892 N GLU A 58 -0.231 9.429 -7.316 1.00 0.00 N ATOM 893 CA GLU A 58 1.190 9.354 -6.997 1.00 0.00 C ATOM 894 C GLU A 58 1.394 9.244 -5.490 1.00 0.00 C ATOM 895 O GLU A 58 0.627 9.803 -4.708 1.00 0.00 O ATOM 896 CB GLU A 58 1.911 10.597 -7.522 1.00 0.00 C ATOM 897 CG GLU A 58 0.929 11.769 -7.582 1.00 0.00 C ATOM 898 CD GLU A 58 1.655 13.038 -8.014 1.00 0.00 C ATOM 899 OE1 GLU A 58 2.866 12.983 -8.160 1.00 0.00 O ATOM 900 OE2 GLU A 58 0.991 14.045 -8.193 1.00 0.00 O ATOM 0 H GLU A 58 -0.622 10.371 -7.297 1.00 0.00 H new ATOM 0 HA GLU A 58 1.604 8.466 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.751 10.845 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.321 10.401 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.125 11.544 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.469 11.918 -6.605 1.00 0.00 H new ATOM 907 N MET A 59 2.432 8.517 -5.090 1.00 0.00 N ATOM 908 CA MET A 59 2.720 8.331 -3.672 1.00 0.00 C ATOM 909 C MET A 59 3.714 9.380 -3.181 1.00 0.00 C ATOM 910 O MET A 59 4.848 9.445 -3.655 1.00 0.00 O ATOM 911 CB MET A 59 3.294 6.933 -3.436 1.00 0.00 C ATOM 912 CG MET A 59 2.150 5.929 -3.283 1.00 0.00 C ATOM 913 SD MET A 59 0.861 6.295 -4.499 1.00 0.00 S ATOM 914 CE MET A 59 -0.516 5.531 -3.607 1.00 0.00 C ATOM 0 H MET A 59 3.083 8.050 -5.721 1.00 0.00 H new ATOM 0 HA MET A 59 1.789 8.442 -3.115 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.934 6.646 -4.270 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.916 6.930 -2.541 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.521 4.914 -3.425 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.739 5.980 -2.275 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.460 5.878 -4.028 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.453 4.447 -3.701 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.466 5.808 -2.554 1.00 0.00 H new ATOM 924 N HIS A 60 3.279 10.198 -2.227 1.00 0.00 N ATOM 925 CA HIS A 60 4.143 11.229 -1.666 1.00 0.00 C ATOM 926 C HIS A 60 4.595 10.836 -0.263 1.00 0.00 C ATOM 927 O HIS A 60 3.773 10.624 0.628 1.00 0.00 O ATOM 928 CB HIS A 60 3.398 12.564 -1.610 1.00 0.00 C ATOM 929 CG HIS A 60 3.063 13.011 -3.006 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.724 14.061 -3.625 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.143 12.558 -3.918 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.195 14.205 -4.854 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.227 13.314 -5.084 1.00 0.00 N ATOM 0 H HIS A 60 2.340 10.167 -1.829 1.00 0.00 H new ATOM 0 HA HIS A 60 5.020 11.332 -2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.486 12.459 -1.022 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.013 13.315 -1.114 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.475 14.622 -3.222 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.458 11.739 -3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.514 14.950 -5.567 1.00 0.00 H new ATOM 942 N VAL A 61 5.907 10.737 -0.074 1.00 0.00 N ATOM 943 CA VAL A 61 6.453 10.349 1.222 1.00 0.00 C ATOM 944 C VAL A 61 7.040 11.557 1.946 1.00 0.00 C ATOM 945 O VAL A 61 7.785 12.343 1.361 1.00 0.00 O ATOM 946 CB VAL A 61 7.539 9.288 1.033 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.248 9.038 2.364 1.00 0.00 C ATOM 948 CG2 VAL A 61 6.899 7.988 0.544 1.00 0.00 C ATOM 0 H VAL A 61 6.606 10.918 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 61 5.643 9.940 1.826 1.00 0.00 H new ATOM 0 HB VAL A 61 8.264 9.637 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.021 8.282 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.704 9.965 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.525 8.689 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.671 7.231 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.174 7.640 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.395 8.166 -0.406 1.00 0.00 H new ATOM 958 N LEU A 62 6.698 11.694 3.223 1.00 0.00 N ATOM 959 CA LEU A 62 7.209 12.798 4.028 1.00 0.00 C ATOM 960 C LEU A 62 7.493 12.329 5.451 1.00 0.00 C ATOM 961 O LEU A 62 6.610 12.349 6.309 1.00 0.00 O ATOM 962 CB LEU A 62 6.192 13.940 4.058 1.00 0.00 C ATOM 963 CG LEU A 62 6.770 15.118 4.844 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.839 15.817 4.003 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.650 16.110 5.169 1.00 0.00 C ATOM 0 H LEU A 62 6.073 11.059 3.720 1.00 0.00 H new ATOM 0 HA LEU A 62 8.137 13.154 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.949 14.251 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.264 13.602 4.519 1.00 0.00 H new ATOM 0 HG LEU A 62 7.216 14.754 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.251 16.657 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.636 15.111 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.393 16.182 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.060 16.950 5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.206 16.474 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.886 15.613 5.767 1.00 0.00 H new ATOM 977 N VAL A 63 8.729 11.903 5.694 1.00 0.00 N ATOM 978 CA VAL A 63 9.111 11.413 7.012 1.00 0.00 C ATOM 979 C VAL A 63 10.110 12.358 7.673 1.00 0.00 C ATOM 980 O VAL A 63 11.071 12.801 7.044 1.00 0.00 O ATOM 981 CB VAL A 63 9.730 10.020 6.889 1.00 0.00 C ATOM 982 CG1 VAL A 63 10.030 9.468 8.283 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.750 9.089 6.173 1.00 0.00 C ATOM 0 H VAL A 63 9.477 11.887 5.001 1.00 0.00 H new ATOM 0 HA VAL A 63 8.216 11.363 7.632 1.00 0.00 H new ATOM 0 HB VAL A 63 10.656 10.084 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.471 8.475 8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.728 10.131 8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.105 9.404 8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.190 8.096 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.824 9.026 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.536 9.481 5.179 1.00 0.00 H new ATOM 993 N THR A 64 9.878 12.658 8.947 1.00 0.00 N ATOM 994 CA THR A 64 10.769 13.541 9.690 1.00 0.00 C ATOM 995 C THR A 64 11.498 12.762 10.782 1.00 0.00 C ATOM 996 O THR A 64 10.892 11.964 11.496 1.00 0.00 O ATOM 997 CB THR A 64 9.971 14.684 10.321 1.00 0.00 C ATOM 998 OG1 THR A 64 9.275 15.390 9.302 1.00 0.00 O ATOM 999 CG2 THR A 64 10.923 15.635 11.045 1.00 0.00 C ATOM 0 H THR A 64 9.086 12.305 9.483 1.00 0.00 H new ATOM 0 HA THR A 64 11.503 13.954 8.998 1.00 0.00 H new ATOM 0 HB THR A 64 9.256 14.278 11.036 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.761 16.122 9.703 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.353 16.449 11.494 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.456 15.092 11.825 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.640 16.044 10.333 1.00 0.00 H new ATOM 1007 N PHE A 65 12.800 12.998 10.904 1.00 0.00 N ATOM 1008 CA PHE A 65 13.598 12.308 11.911 1.00 0.00 C ATOM 1009 C PHE A 65 14.212 13.306 12.889 1.00 0.00 C ATOM 1010 O PHE A 65 14.264 14.505 12.617 1.00 0.00 O ATOM 1011 CB PHE A 65 14.709 11.503 11.233 1.00 0.00 C ATOM 1012 CG PHE A 65 14.214 10.991 9.901 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.319 11.795 8.760 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.650 9.714 9.808 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.861 11.320 7.525 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.192 9.238 8.574 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.296 10.043 7.432 1.00 0.00 C ATOM 0 H PHE A 65 13.321 13.655 10.324 1.00 0.00 H new ATOM 0 HA PHE A 65 12.945 11.633 12.464 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.591 12.128 11.090 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.008 10.669 11.868 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.753 12.781 8.832 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.568 9.095 10.689 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.944 11.939 6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.759 8.251 8.502 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.940 9.678 6.480 1.00 0.00 H new ATOM 1027 N ASN A 66 14.675 12.798 14.027 1.00 0.00 N ATOM 1028 CA ASN A 66 15.292 13.650 15.038 1.00 0.00 C ATOM 1029 C ASN A 66 16.745 13.945 14.677 1.00 0.00 C ATOM 1030 O ASN A 66 17.381 13.181 13.949 1.00 0.00 O ATOM 1031 CB ASN A 66 15.234 12.965 16.404 1.00 0.00 C ATOM 1032 CG ASN A 66 15.581 13.963 17.504 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.879 14.958 17.684 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.628 13.755 18.254 1.00 0.00 N ATOM 0 H ASN A 66 14.635 11.808 14.271 1.00 0.00 H new ATOM 0 HA ASN A 66 14.741 14.590 15.079 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.238 12.557 16.573 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.930 12.127 16.429 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.867 14.418 18.992 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.208 12.930 18.103 1.00 0.00 H new ATOM 1041 N GLU A 67 17.263 15.054 15.191 1.00 0.00 N ATOM 1042 CA GLU A 67 18.643 15.439 14.918 1.00 0.00 C ATOM 1043 C GLU A 67 19.584 14.264 15.162 1.00 0.00 C ATOM 1044 O GLU A 67 20.459 13.977 14.345 1.00 0.00 O ATOM 1045 CB GLU A 67 19.046 16.612 15.814 1.00 0.00 C ATOM 1046 CG GLU A 67 20.567 16.765 15.801 1.00 0.00 C ATOM 1047 CD GLU A 67 20.955 18.160 16.283 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.075 18.874 16.736 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.125 18.493 16.191 1.00 0.00 O ATOM 0 H GLU A 67 16.753 15.699 15.795 1.00 0.00 H new ATOM 0 HA GLU A 67 18.717 15.739 13.873 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.575 17.530 15.463 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.696 16.443 16.832 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.022 16.010 16.442 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.949 16.600 14.793 1.00 0.00 H new ATOM 1056 N ASP A 68 19.396 13.588 16.289 1.00 0.00 N ATOM 1057 CA ASP A 68 20.235 12.446 16.633 1.00 0.00 C ATOM 1058 C ASP A 68 19.810 11.213 15.841 1.00 0.00 C ATOM 1059 O ASP A 68 19.224 10.282 16.391 1.00 0.00 O ATOM 1060 CB ASP A 68 20.130 12.152 18.131 1.00 0.00 C ATOM 1061 CG ASP A 68 20.726 13.305 18.933 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.418 14.117 18.339 1.00 0.00 O ATOM 1063 OD2 ASP A 68 20.484 13.359 20.127 1.00 0.00 O ATOM 0 H ASP A 68 18.675 13.808 16.976 1.00 0.00 H new ATOM 0 HA ASP A 68 21.268 12.689 16.382 1.00 0.00 H new ATOM 0 HB2 ASP A 68 19.086 12.006 18.409 1.00 0.00 H new ATOM 0 HB3 ASP A 68 20.655 11.226 18.366 1.00 0.00 H new ATOM 1068 N CYS A 69 20.110 11.216 14.545 1.00 0.00 N ATOM 1069 CA CYS A 69 19.762 10.087 13.690 1.00 0.00 C ATOM 1070 C CYS A 69 20.719 9.997 12.506 1.00 0.00 C ATOM 1071 O CYS A 69 20.748 10.881 11.649 1.00 0.00 O ATOM 1072 CB CYS A 69 18.328 10.242 13.179 1.00 0.00 C ATOM 1073 SG CYS A 69 17.221 10.560 14.575 1.00 0.00 S ATOM 0 H CYS A 69 20.589 11.980 14.068 1.00 0.00 H new ATOM 0 HA CYS A 69 19.842 9.172 14.277 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.272 11.062 12.463 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.018 9.339 12.654 1.00 0.00 H new ATOM 0 HG CYS A 69 17.660 9.936 15.628 1.00 0.00 H new ATOM 1079 N ASP A 70 21.499 8.921 12.463 1.00 0.00 N ATOM 1080 CA ASP A 70 22.458 8.728 11.381 1.00 0.00 C ATOM 1081 C ASP A 70 21.742 8.296 10.105 1.00 0.00 C ATOM 1082 O ASP A 70 21.687 7.108 9.785 1.00 0.00 O ATOM 1083 CB ASP A 70 23.487 7.667 11.777 1.00 0.00 C ATOM 1084 CG ASP A 70 24.654 7.681 10.795 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.708 8.588 9.982 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.477 6.784 10.873 1.00 0.00 O ATOM 0 H ASP A 70 21.486 8.175 13.159 1.00 0.00 H new ATOM 0 HA ASP A 70 22.967 9.674 11.197 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.849 7.858 12.787 1.00 0.00 H new ATOM 0 HB3 ASP A 70 23.021 6.682 11.787 1.00 0.00 H new ATOM 1091 N ILE A 71 21.193 9.266 9.384 1.00 0.00 N ATOM 1092 CA ILE A 71 20.479 8.975 8.146 1.00 0.00 C ATOM 1093 C ILE A 71 21.009 9.841 7.005 1.00 0.00 C ATOM 1094 O ILE A 71 21.661 10.858 7.238 1.00 0.00 O ATOM 1095 CB ILE A 71 18.983 9.234 8.333 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.765 10.699 8.716 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.445 8.332 9.445 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.268 10.963 8.895 1.00 0.00 C ATOM 0 H ILE A 71 21.228 10.255 9.632 1.00 0.00 H new ATOM 0 HA ILE A 71 20.637 7.926 7.895 1.00 0.00 H new ATOM 0 HB ILE A 71 18.457 9.018 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.298 10.928 9.639 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.170 11.352 7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.379 8.516 9.579 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.602 7.288 9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.970 8.549 10.375 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.113 12.007 9.168 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.747 10.751 7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.877 10.320 9.683 1.00 0.00 H new ATOM 1110 N LYS A 72 20.723 9.429 5.774 1.00 0.00 N ATOM 1111 CA LYS A 72 21.176 10.175 4.606 1.00 0.00 C ATOM 1112 C LYS A 72 20.118 10.150 3.508 1.00 0.00 C ATOM 1113 O LYS A 72 19.007 9.662 3.715 1.00 0.00 O ATOM 1114 CB LYS A 72 22.478 9.572 4.074 1.00 0.00 C ATOM 1115 CG LYS A 72 22.365 8.047 4.054 1.00 0.00 C ATOM 1116 CD LYS A 72 23.007 7.504 2.776 1.00 0.00 C ATOM 1117 CE LYS A 72 24.479 7.919 2.727 1.00 0.00 C ATOM 1118 NZ LYS A 72 25.051 7.882 4.103 1.00 0.00 N ATOM 0 H LYS A 72 20.184 8.590 5.560 1.00 0.00 H new ATOM 0 HA LYS A 72 21.348 11.209 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.680 9.945 3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.315 9.877 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.858 7.624 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.318 7.749 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 72 22.924 6.418 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.481 7.887 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 72 25.035 7.249 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 72 24.572 8.922 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 26.077 7.724 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 24.865 8.787 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 24.610 7.109 4.641 1.00 0.00 H new ATOM 1132 N ALA A 73 20.471 10.678 2.340 1.00 0.00 N ATOM 1133 CA ALA A 73 19.547 10.702 1.212 1.00 0.00 C ATOM 1134 C ALA A 73 20.047 9.795 0.092 1.00 0.00 C ATOM 1135 O ALA A 73 21.236 9.783 -0.225 1.00 0.00 O ATOM 1136 CB ALA A 73 19.400 12.131 0.687 1.00 0.00 C ATOM 0 H ALA A 73 21.384 11.092 2.151 1.00 0.00 H new ATOM 0 HA ALA A 73 18.577 10.340 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.708 12.140 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.015 12.772 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.372 12.501 0.362 1.00 0.00 H new ATOM 1142 N LEU A 74 19.131 9.035 -0.501 1.00 0.00 N ATOM 1143 CA LEU A 74 19.496 8.112 -1.569 1.00 0.00 C ATOM 1144 C LEU A 74 19.170 8.713 -2.933 1.00 0.00 C ATOM 1145 O LEU A 74 19.946 9.497 -3.478 1.00 0.00 O ATOM 1146 CB LEU A 74 18.743 6.792 -1.396 1.00 0.00 C ATOM 1147 CG LEU A 74 19.078 6.189 -0.031 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.178 4.980 0.231 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.543 5.746 -0.018 1.00 0.00 C ATOM 0 H LEU A 74 18.139 9.040 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 74 20.569 7.928 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.669 6.960 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.018 6.097 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 74 18.915 6.936 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.418 4.552 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.134 5.294 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.339 4.231 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.784 5.316 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.704 4.999 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.185 6.607 -0.203 1.00 0.00 H new ATOM 1161 N GLY A 75 18.018 8.339 -3.480 1.00 0.00 N ATOM 1162 CA GLY A 75 17.605 8.841 -4.785 1.00 0.00 C ATOM 1163 C GLY A 75 17.542 10.364 -4.787 1.00 0.00 C ATOM 1164 O GLY A 75 18.304 11.028 -4.084 1.00 0.00 O ATOM 0 H GLY A 75 17.358 7.695 -3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.305 8.501 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.628 8.432 -5.044 1.00 0.00 H new ATOM 1168 N LYS A 76 16.628 10.913 -5.582 1.00 0.00 N ATOM 1169 CA LYS A 76 16.480 12.361 -5.672 1.00 0.00 C ATOM 1170 C LYS A 76 15.910 12.921 -4.373 1.00 0.00 C ATOM 1171 O LYS A 76 15.694 14.126 -4.247 1.00 0.00 O ATOM 1172 CB LYS A 76 15.552 12.719 -6.836 1.00 0.00 C ATOM 1173 CG LYS A 76 14.121 12.303 -6.494 1.00 0.00 C ATOM 1174 CD LYS A 76 13.256 12.368 -7.755 1.00 0.00 C ATOM 1175 CE LYS A 76 13.236 13.801 -8.289 1.00 0.00 C ATOM 1176 NZ LYS A 76 14.460 14.045 -9.103 1.00 0.00 N ATOM 0 H LYS A 76 15.984 10.382 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 76 17.463 12.800 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.594 13.790 -7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.881 12.216 -7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.112 11.292 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.713 12.960 -5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.650 11.692 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.242 12.039 -7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.345 13.962 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.190 14.508 -7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.103 14.676 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.939 13.141 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.194 14.489 -10.005 1.00 0.00 H new ATOM 1190 N THR A 77 15.668 12.038 -3.410 1.00 0.00 N ATOM 1191 CA THR A 77 15.114 12.455 -2.128 1.00 0.00 C ATOM 1192 C THR A 77 15.894 13.640 -1.567 1.00 0.00 C ATOM 1193 O THR A 77 17.094 13.541 -1.312 1.00 0.00 O ATOM 1194 CB THR A 77 15.164 11.292 -1.134 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.434 10.192 -1.658 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.549 11.728 0.197 1.00 0.00 C ATOM 0 H THR A 77 15.845 11.037 -3.492 1.00 0.00 H new ATOM 0 HA THR A 77 14.078 12.757 -2.282 1.00 0.00 H new ATOM 0 HB THR A 77 16.201 10.997 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.982 9.381 -1.606 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.585 10.899 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.111 12.572 0.598 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.512 12.025 0.039 1.00 0.00 H new ATOM 1204 N LYS A 78 15.204 14.760 -1.376 1.00 0.00 N ATOM 1205 CA LYS A 78 15.843 15.958 -0.847 1.00 0.00 C ATOM 1206 C LYS A 78 15.963 15.874 0.672 1.00 0.00 C ATOM 1207 O LYS A 78 14.965 15.729 1.376 1.00 0.00 O ATOM 1208 CB LYS A 78 15.031 17.196 -1.229 1.00 0.00 C ATOM 1209 CG LYS A 78 15.804 18.457 -0.834 1.00 0.00 C ATOM 1210 CD LYS A 78 14.972 19.694 -1.176 1.00 0.00 C ATOM 1211 CE LYS A 78 15.797 20.953 -0.903 1.00 0.00 C ATOM 1212 NZ LYS A 78 14.917 22.154 -1.000 1.00 0.00 N ATOM 0 H LYS A 78 14.209 14.862 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 78 16.842 16.034 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.834 17.198 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.063 17.178 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.028 18.440 0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.758 18.491 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.669 19.664 -2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.059 19.708 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.247 20.898 0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.614 21.028 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.477 23.011 -0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.507 22.208 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.152 22.082 -0.299 1.00 0.00 H new ATOM 1226 N LEU A 79 17.192 15.966 1.168 1.00 0.00 N ATOM 1227 CA LEU A 79 17.431 15.897 2.606 1.00 0.00 C ATOM 1228 C LEU A 79 18.010 17.211 3.118 1.00 0.00 C ATOM 1229 O LEU A 79 18.981 17.730 2.567 1.00 0.00 O ATOM 1230 CB LEU A 79 18.400 14.755 2.919 1.00 0.00 C ATOM 1231 CG LEU A 79 18.700 14.737 4.419 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.392 14.601 5.200 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.610 13.550 4.741 1.00 0.00 C ATOM 0 H LEU A 79 18.032 16.087 0.602 1.00 0.00 H new ATOM 0 HA LEU A 79 16.479 15.714 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.968 13.803 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.323 14.882 2.354 1.00 0.00 H new ATOM 0 HG LEU A 79 19.197 15.665 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.606 14.588 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.742 15.445 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.895 13.673 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.825 13.536 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.112 12.623 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.543 13.645 4.185 1.00 0.00 H new ATOM 1245 N GLU A 80 17.406 17.746 4.174 1.00 0.00 N ATOM 1246 CA GLU A 80 17.868 19.003 4.751 1.00 0.00 C ATOM 1247 C GLU A 80 17.537 19.063 6.238 1.00 0.00 C ATOM 1248 O GLU A 80 16.581 18.438 6.697 1.00 0.00 O ATOM 1249 CB GLU A 80 17.210 20.181 4.031 1.00 0.00 C ATOM 1250 CG GLU A 80 15.689 20.023 4.078 1.00 0.00 C ATOM 1251 CD GLU A 80 15.023 21.158 3.308 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.722 22.090 2.942 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.824 21.080 3.095 1.00 0.00 O ATOM 0 H GLU A 80 16.601 17.332 4.645 1.00 0.00 H new ATOM 0 HA GLU A 80 18.950 19.062 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.504 21.119 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.550 20.224 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.401 19.063 3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.347 20.025 5.113 1.00 0.00 H new ATOM 1260 N GLN A 81 18.334 19.819 6.987 1.00 0.00 N ATOM 1261 CA GLN A 81 18.115 19.954 8.423 1.00 0.00 C ATOM 1262 C GLN A 81 17.584 21.345 8.756 1.00 0.00 C ATOM 1263 O GLN A 81 17.874 22.315 8.056 1.00 0.00 O ATOM 1264 CB GLN A 81 19.423 19.710 9.176 1.00 0.00 C ATOM 1265 CG GLN A 81 19.153 19.704 10.681 1.00 0.00 C ATOM 1266 CD GLN A 81 20.437 19.391 11.440 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.458 19.069 10.830 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.450 19.465 12.743 1.00 0.00 N ATOM 0 H GLN A 81 19.131 20.344 6.627 1.00 0.00 H new ATOM 0 HA GLN A 81 17.377 19.213 8.730 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.859 18.759 8.870 1.00 0.00 H new ATOM 0 HB3 GLN A 81 20.147 20.486 8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.764 20.673 10.993 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.390 18.963 10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.604 19.732 13.247 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.306 19.256 13.257 1.00 0.00 H new ATOM 1277 N GLN A 82 16.807 21.434 9.830 1.00 0.00 N ATOM 1278 CA GLN A 82 16.240 22.711 10.247 1.00 0.00 C ATOM 1279 C GLN A 82 16.960 23.238 11.484 1.00 0.00 C ATOM 1280 O GLN A 82 17.713 22.512 12.133 1.00 0.00 O ATOM 1281 CB GLN A 82 14.750 22.546 10.554 1.00 0.00 C ATOM 1282 CG GLN A 82 14.149 21.498 9.614 1.00 0.00 C ATOM 1283 CD GLN A 82 14.455 21.861 8.165 1.00 0.00 C ATOM 1284 OE1 GLN A 82 15.033 20.984 7.391 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 14.159 22.972 7.726 1.00 0.00 N flip ATOM 0 H GLN A 82 16.557 20.643 10.424 1.00 0.00 H new ATOM 0 HA GLN A 82 16.366 23.426 9.434 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.613 22.241 11.591 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.235 23.499 10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.557 20.514 9.845 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.071 21.439 9.763 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.707 23.656 8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.365 23.208 6.756 1.00 0.00 H new ATOM 1294 N GLU A 83 16.724 24.507 11.805 1.00 0.00 N ATOM 1295 CA GLU A 83 17.357 25.120 12.968 1.00 0.00 C ATOM 1296 C GLU A 83 16.936 24.402 14.246 1.00 0.00 C ATOM 1297 O GLU A 83 17.732 24.242 15.171 1.00 0.00 O ATOM 1298 CB GLU A 83 16.965 26.596 13.056 1.00 0.00 C ATOM 1299 CG GLU A 83 17.782 27.276 14.158 1.00 0.00 C ATOM 1300 CD GLU A 83 17.347 28.729 14.307 1.00 0.00 C ATOM 1301 OE1 GLU A 83 16.434 29.129 13.604 1.00 0.00 O ATOM 1302 OE2 GLU A 83 17.935 29.421 15.122 1.00 0.00 O ATOM 0 H GLU A 83 16.105 25.126 11.281 1.00 0.00 H new ATOM 0 HA GLU A 83 18.438 25.037 12.858 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.143 27.088 12.100 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.900 26.688 13.268 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.645 26.748 15.102 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.844 27.228 13.917 1.00 0.00 H new ATOM 1309 N ASN A 84 15.680 23.972 14.291 1.00 0.00 N ATOM 1310 CA ASN A 84 15.162 23.274 15.462 1.00 0.00 C ATOM 1311 C ASN A 84 15.937 21.983 15.702 1.00 0.00 C ATOM 1312 O ASN A 84 16.006 21.489 16.828 1.00 0.00 O ATOM 1313 CB ASN A 84 13.680 22.950 15.264 1.00 0.00 C ATOM 1314 CG ASN A 84 13.473 22.259 13.920 1.00 0.00 C ATOM 1315 OD1 ASN A 84 14.164 21.191 13.633 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.659 22.706 13.111 1.00 0.00 N flip ATOM 0 H ASN A 84 15.005 24.093 13.536 1.00 0.00 H new ATOM 0 HA ASN A 84 15.280 23.923 16.330 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.329 22.307 16.071 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.090 23.866 15.306 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.120 23.542 13.339 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.524 22.241 12.213 1.00 0.00 H new ATOM 1323 N GLY A 85 16.521 21.441 14.639 1.00 0.00 N ATOM 1324 CA GLY A 85 17.298 20.213 14.748 1.00 0.00 C ATOM 1325 C GLY A 85 16.470 19.006 14.322 1.00 0.00 C ATOM 1326 O GLY A 85 16.336 18.038 15.071 1.00 0.00 O ATOM 0 H GLY A 85 16.472 21.830 13.697 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.190 20.286 14.125 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.637 20.082 15.776 1.00 0.00 H new ATOM 1330 N GLU A 86 15.917 19.070 13.116 1.00 0.00 N ATOM 1331 CA GLU A 86 15.121 17.968 12.591 1.00 0.00 C ATOM 1332 C GLU A 86 15.489 17.682 11.139 1.00 0.00 C ATOM 1333 O GLU A 86 15.741 18.602 10.361 1.00 0.00 O ATOM 1334 CB GLU A 86 13.632 18.309 12.683 1.00 0.00 C ATOM 1335 CG GLU A 86 13.217 18.401 14.152 1.00 0.00 C ATOM 1336 CD GLU A 86 13.273 17.020 14.797 1.00 0.00 C ATOM 1337 OE1 GLU A 86 13.216 16.044 14.068 1.00 0.00 O ATOM 1338 OE2 GLU A 86 13.375 16.959 16.012 1.00 0.00 O ATOM 0 H GLU A 86 16.005 19.868 12.487 1.00 0.00 H new ATOM 0 HA GLU A 86 15.329 17.080 13.188 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.433 19.255 12.179 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.042 17.546 12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.878 19.086 14.683 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.208 18.807 14.229 1.00 0.00 H new ATOM 1345 N TRP A 87 15.517 16.402 10.781 1.00 0.00 N ATOM 1346 CA TRP A 87 15.851 16.008 9.417 1.00 0.00 C ATOM 1347 C TRP A 87 14.584 15.734 8.614 1.00 0.00 C ATOM 1348 O TRP A 87 13.688 15.025 9.073 1.00 0.00 O ATOM 1349 CB TRP A 87 16.727 14.753 9.434 1.00 0.00 C ATOM 1350 CG TRP A 87 18.100 15.108 9.909 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.563 14.905 11.163 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.189 15.723 9.165 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.869 15.356 11.237 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.299 15.870 10.030 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.321 16.166 7.836 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.499 16.434 9.591 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.527 16.733 7.392 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.613 16.867 8.268 1.00 0.00 C ATOM 0 H TRP A 87 15.314 15.626 11.411 1.00 0.00 H new ATOM 0 HA TRP A 87 16.397 16.826 8.947 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.288 13.999 10.088 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.777 14.318 8.436 1.00 0.00 H new ATOM 0 HD1 TRP A 87 18.004 14.463 11.975 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.443 15.314 12.079 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.490 16.069 7.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.333 16.535 10.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.618 17.068 6.369 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.537 17.305 7.920 1.00 0.00 H new ATOM 1369 N VAL A 88 14.514 16.302 7.414 1.00 0.00 N ATOM 1370 CA VAL A 88 13.346 16.119 6.561 1.00 0.00 C ATOM 1371 C VAL A 88 13.741 15.457 5.245 1.00 0.00 C ATOM 1372 O VAL A 88 14.721 15.849 4.611 1.00 0.00 O ATOM 1373 CB VAL A 88 12.689 17.471 6.278 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.541 17.283 5.285 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.143 18.054 7.584 1.00 0.00 C ATOM 0 H VAL A 88 15.246 16.888 7.013 1.00 0.00 H new ATOM 0 HA VAL A 88 12.638 15.473 7.080 1.00 0.00 H new ATOM 0 HB VAL A 88 13.427 18.153 5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.073 18.246 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.929 16.866 4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.802 16.602 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.674 19.018 7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.405 17.372 8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.960 18.188 8.292 1.00 0.00 H new ATOM 1385 N ALA A 89 12.971 14.453 4.840 1.00 0.00 N ATOM 1386 CA ALA A 89 13.248 13.745 3.594 1.00 0.00 C ATOM 1387 C ALA A 89 11.953 13.467 2.838 1.00 0.00 C ATOM 1388 O ALA A 89 11.189 12.573 3.204 1.00 0.00 O ATOM 1389 CB ALA A 89 13.961 12.424 3.892 1.00 0.00 C ATOM 0 H ALA A 89 12.156 14.113 5.351 1.00 0.00 H new ATOM 0 HA ALA A 89 13.890 14.372 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.164 11.901 2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.900 12.626 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.327 11.803 4.524 1.00 0.00 H new ATOM 1395 N SER A 90 11.713 14.238 1.783 1.00 0.00 N ATOM 1396 CA SER A 90 10.502 14.072 0.989 1.00 0.00 C ATOM 1397 C SER A 90 10.846 13.648 -0.435 1.00 0.00 C ATOM 1398 O SER A 90 11.855 14.076 -0.994 1.00 0.00 O ATOM 1399 CB SER A 90 9.716 15.383 0.955 1.00 0.00 C ATOM 1400 OG SER A 90 10.408 16.324 0.143 1.00 0.00 O ATOM 0 H SER A 90 12.336 14.978 1.460 1.00 0.00 H new ATOM 0 HA SER A 90 9.894 13.294 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.715 15.210 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.596 15.775 1.965 1.00 0.00 H new ATOM 0 HG SER A 90 9.906 17.165 0.117 1.00 0.00 H new ATOM 1406 N VAL A 91 9.999 12.804 -1.017 1.00 0.00 N ATOM 1407 CA VAL A 91 10.217 12.333 -2.379 1.00 0.00 C ATOM 1408 C VAL A 91 8.925 11.773 -2.964 1.00 0.00 C ATOM 1409 O VAL A 91 8.146 11.125 -2.264 1.00 0.00 O ATOM 1410 CB VAL A 91 11.298 11.251 -2.392 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.730 9.956 -1.809 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.755 11.004 -3.831 1.00 0.00 C ATOM 0 H VAL A 91 9.160 12.435 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 91 10.543 13.177 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 91 12.147 11.579 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.500 9.184 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.404 10.131 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.881 9.628 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.525 10.233 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.906 10.676 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.160 11.926 -4.248 1.00 0.00 H new ATOM 1422 N VAL A 92 8.703 12.027 -4.249 1.00 0.00 N ATOM 1423 CA VAL A 92 7.504 11.537 -4.918 1.00 0.00 C ATOM 1424 C VAL A 92 7.826 10.318 -5.777 1.00 0.00 C ATOM 1425 O VAL A 92 8.803 10.317 -6.528 1.00 0.00 O ATOM 1426 CB VAL A 92 6.909 12.639 -5.796 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.567 12.174 -6.363 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.697 13.900 -4.955 1.00 0.00 C ATOM 0 H VAL A 92 9.333 12.565 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 92 6.780 11.248 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 92 7.592 12.858 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.144 12.960 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.717 11.275 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.882 11.954 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.273 14.687 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.014 13.680 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.653 14.233 -4.551 1.00 0.00 H new ATOM 1438 N VAL A 93 6.998 9.285 -5.663 1.00 0.00 N ATOM 1439 CA VAL A 93 7.209 8.061 -6.428 1.00 0.00 C ATOM 1440 C VAL A 93 6.093 7.875 -7.452 1.00 0.00 C ATOM 1441 O VAL A 93 4.912 7.958 -7.118 1.00 0.00 O ATOM 1442 CB VAL A 93 7.247 6.856 -5.488 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.656 5.609 -6.273 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.264 7.113 -4.374 1.00 0.00 C ATOM 0 H VAL A 93 6.180 9.270 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 93 8.161 8.140 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 93 6.260 6.703 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.683 4.750 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.933 5.426 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.644 5.761 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.293 6.255 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.251 7.265 -4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.974 8.002 -3.814 1.00 0.00 H new ATOM 1454 N TYR A 94 6.476 7.622 -8.699 1.00 0.00 N ATOM 1455 CA TYR A 94 5.498 7.421 -9.762 1.00 0.00 C ATOM 1456 C TYR A 94 5.139 5.944 -9.885 1.00 0.00 C ATOM 1457 O TYR A 94 5.901 5.072 -9.470 1.00 0.00 O ATOM 1458 CB TYR A 94 6.059 7.928 -11.091 1.00 0.00 C ATOM 1459 CG TYR A 94 6.309 9.414 -10.997 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.236 10.296 -10.824 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.616 9.910 -11.072 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.468 11.673 -10.731 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.850 11.287 -10.978 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.775 12.168 -10.809 1.00 0.00 C ATOM 1465 OH TYR A 94 7.005 13.526 -10.717 1.00 0.00 O ATOM 0 H TYR A 94 7.449 7.552 -8.997 1.00 0.00 H new ATOM 0 HA TYR A 94 4.597 7.982 -9.514 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.986 7.407 -11.329 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.358 7.717 -11.898 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.228 9.913 -10.762 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.445 9.230 -11.203 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.639 12.353 -10.599 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.858 11.669 -11.036 1.00 0.00 H new ATOM 0 HH TYR A 94 7.967 13.701 -10.789 1.00 0.00 H new ATOM 1475 N PRO A 95 3.995 5.657 -10.445 1.00 0.00 N ATOM 1476 CA PRO A 95 3.511 4.256 -10.619 1.00 0.00 C ATOM 1477 C PRO A 95 4.386 3.463 -11.586 1.00 0.00 C ATOM 1478 O PRO A 95 5.038 4.033 -12.460 1.00 0.00 O ATOM 1479 CB PRO A 95 2.092 4.417 -11.174 1.00 0.00 C ATOM 1480 CG PRO A 95 1.725 5.846 -10.939 1.00 0.00 C ATOM 1481 CD PRO A 95 3.024 6.648 -10.993 1.00 0.00 C ATOM 0 HA PRO A 95 3.541 3.698 -9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.057 4.173 -12.236 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.396 3.746 -10.670 1.00 0.00 H new ATOM 0 HG2 PRO A 95 1.023 6.195 -11.697 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.236 5.966 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.277 6.955 -12.008 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.974 7.554 -10.389 1.00 0.00 H new ATOM 1489 N CYS A 96 4.396 2.144 -11.419 1.00 0.00 N ATOM 1490 CA CYS A 96 5.194 1.281 -12.282 1.00 0.00 C ATOM 1491 C CYS A 96 6.672 1.643 -12.180 1.00 0.00 C ATOM 1492 O CYS A 96 7.473 1.271 -13.038 1.00 0.00 O ATOM 1493 CB CYS A 96 4.729 1.420 -13.733 1.00 0.00 C ATOM 1494 SG CYS A 96 2.924 1.313 -13.800 1.00 0.00 S ATOM 0 H CYS A 96 3.865 1.653 -10.700 1.00 0.00 H new ATOM 0 HA CYS A 96 5.062 0.249 -11.957 1.00 0.00 H new ATOM 0 HB2 CYS A 96 5.063 2.373 -14.144 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.174 0.636 -14.345 1.00 0.00 H new ATOM 0 HG CYS A 96 2.528 1.433 -15.032 1.00 0.00 H new ATOM 1500 N GLU A 97 7.025 2.371 -11.126 1.00 0.00 N ATOM 1501 CA GLU A 97 8.411 2.780 -10.921 1.00 0.00 C ATOM 1502 C GLU A 97 8.762 2.753 -9.436 1.00 0.00 C ATOM 1503 O GLU A 97 7.922 3.039 -8.584 1.00 0.00 O ATOM 1504 CB GLU A 97 8.627 4.190 -11.473 1.00 0.00 C ATOM 1505 CG GLU A 97 8.492 4.168 -12.997 1.00 0.00 C ATOM 1506 CD GLU A 97 8.852 5.533 -13.571 1.00 0.00 C ATOM 1507 OE1 GLU A 97 8.931 6.476 -12.801 1.00 0.00 O ATOM 1508 OE2 GLU A 97 9.046 5.616 -14.773 1.00 0.00 O ATOM 0 H GLU A 97 6.377 2.688 -10.405 1.00 0.00 H new ATOM 0 HA GLU A 97 9.059 2.081 -11.450 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.898 4.876 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.614 4.556 -11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.145 3.404 -13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.472 3.904 -13.276 1.00 0.00 H new ATOM 1515 N THR A 98 10.011 2.408 -9.135 1.00 0.00 N ATOM 1516 CA THR A 98 10.464 2.350 -7.750 1.00 0.00 C ATOM 1517 C THR A 98 11.696 3.227 -7.552 1.00 0.00 C ATOM 1518 O THR A 98 12.590 3.257 -8.397 1.00 0.00 O ATOM 1519 CB THR A 98 10.797 0.906 -7.370 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.812 0.036 -7.910 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.820 0.769 -5.846 1.00 0.00 C ATOM 0 H THR A 98 10.722 2.166 -9.826 1.00 0.00 H new ATOM 0 HA THR A 98 9.663 2.719 -7.110 1.00 0.00 H new ATOM 0 HB THR A 98 11.775 0.642 -7.771 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.578 -0.645 -7.246 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.057 -0.260 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.576 1.436 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.843 1.034 -5.442 1.00 0.00 H new ATOM 1529 N GLU A 99 11.734 3.942 -6.432 1.00 0.00 N ATOM 1530 CA GLU A 99 12.859 4.821 -6.137 1.00 0.00 C ATOM 1531 C GLU A 99 13.347 4.610 -4.708 1.00 0.00 C ATOM 1532 O GLU A 99 12.610 4.112 -3.857 1.00 0.00 O ATOM 1533 CB GLU A 99 12.443 6.282 -6.326 1.00 0.00 C ATOM 1534 CG GLU A 99 11.976 6.499 -7.766 1.00 0.00 C ATOM 1535 CD GLU A 99 13.142 6.294 -8.728 1.00 0.00 C ATOM 1536 OE1 GLU A 99 14.274 6.343 -8.275 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.885 6.089 -9.903 1.00 0.00 O ATOM 0 H GLU A 99 11.005 3.930 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 99 13.671 4.582 -6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.643 6.536 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.281 6.942 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.170 5.805 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.573 7.506 -7.879 1.00 0.00 H new ATOM 1544 N MET A 100 14.594 4.991 -4.453 1.00 0.00 N ATOM 1545 CA MET A 100 15.171 4.843 -3.120 1.00 0.00 C ATOM 1546 C MET A 100 14.773 6.016 -2.231 1.00 0.00 C ATOM 1547 O MET A 100 14.484 7.109 -2.719 1.00 0.00 O ATOM 1548 CB MET A 100 16.695 4.768 -3.217 1.00 0.00 C ATOM 1549 CG MET A 100 17.099 3.517 -3.999 1.00 0.00 C ATOM 1550 SD MET A 100 18.710 2.935 -3.416 1.00 0.00 S ATOM 1551 CE MET A 100 18.114 2.046 -1.956 1.00 0.00 C ATOM 0 H MET A 100 15.221 5.401 -5.145 1.00 0.00 H new ATOM 0 HA MET A 100 14.789 3.922 -2.679 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.082 5.659 -3.711 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.132 4.742 -2.219 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.350 2.736 -3.869 1.00 0.00 H new ATOM 0 HG3 MET A 100 17.145 3.741 -5.065 1.00 0.00 H new ATOM 0 HE1 MET A 100 18.844 2.136 -1.152 1.00 0.00 H new ATOM 0 HE2 MET A 100 17.164 2.472 -1.633 1.00 0.00 H new ATOM 0 HE3 MET A 100 17.974 0.994 -2.203 1.00 0.00 H new ATOM 1561 N PHE A 101 14.763 5.784 -0.922 1.00 0.00 N ATOM 1562 CA PHE A 101 14.384 6.824 0.025 1.00 0.00 C ATOM 1563 C PHE A 101 15.593 7.274 0.839 1.00 0.00 C ATOM 1564 O PHE A 101 16.424 8.046 0.359 1.00 0.00 O ATOM 1565 CB PHE A 101 13.298 6.305 0.969 1.00 0.00 C ATOM 1566 CG PHE A 101 12.856 7.419 1.887 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.628 8.701 1.372 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.624 7.159 3.243 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.181 9.725 2.215 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.178 8.183 4.087 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.956 9.467 3.572 1.00 0.00 C ATOM 0 H PHE A 101 15.011 4.891 -0.496 1.00 0.00 H new ATOM 0 HA PHE A 101 13.999 7.675 -0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.449 5.934 0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.679 5.467 1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.797 8.900 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.789 6.168 3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.010 10.715 1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.005 7.983 5.134 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.611 10.258 4.222 1.00 0.00 H new ATOM 1581 N ILE A 102 15.687 6.784 2.070 1.00 0.00 N ATOM 1582 CA ILE A 102 16.804 7.136 2.939 1.00 0.00 C ATOM 1583 C ILE A 102 17.462 5.881 3.503 1.00 0.00 C ATOM 1584 O ILE A 102 16.856 4.810 3.531 1.00 0.00 O ATOM 1585 CB ILE A 102 16.313 8.017 4.089 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.397 7.198 5.001 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.535 9.208 3.524 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.242 6.434 6.022 1.00 0.00 C ATOM 0 H ILE A 102 15.009 6.146 2.487 1.00 0.00 H new ATOM 0 HA ILE A 102 17.539 7.684 2.349 1.00 0.00 H new ATOM 0 HB ILE A 102 17.168 8.379 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.695 7.855 5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.806 6.500 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.185 9.836 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.185 9.791 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.680 8.846 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.589 5.851 6.671 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.926 5.765 5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.814 7.141 6.623 1.00 0.00 H new ATOM 1600 N GLU A 103 18.705 6.020 3.952 1.00 0.00 N ATOM 1601 CA GLU A 103 19.436 4.889 4.512 1.00 0.00 C ATOM 1602 C GLU A 103 20.213 5.316 5.754 1.00 0.00 C ATOM 1603 O GLU A 103 20.585 6.481 5.896 1.00 0.00 O ATOM 1604 CB GLU A 103 20.405 4.325 3.471 1.00 0.00 C ATOM 1605 CG GLU A 103 21.230 3.200 4.098 1.00 0.00 C ATOM 1606 CD GLU A 103 22.110 2.546 3.038 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.054 2.981 1.899 1.00 0.00 O ATOM 1608 OE2 GLU A 103 22.828 1.621 3.380 1.00 0.00 O ATOM 0 H GLU A 103 19.224 6.898 3.940 1.00 0.00 H new ATOM 0 HA GLU A 103 18.717 4.119 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.852 3.949 2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.063 5.114 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.849 3.597 4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.568 2.457 4.542 1.00 0.00 H new ATOM 1615 N GLY A 104 20.455 4.364 6.651 1.00 0.00 N ATOM 1616 CA GLY A 104 21.193 4.651 7.875 1.00 0.00 C ATOM 1617 C GLY A 104 20.418 4.184 9.102 1.00 0.00 C ATOM 1618 O GLY A 104 19.524 3.344 8.999 1.00 0.00 O ATOM 0 H GLY A 104 20.153 3.395 6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.164 4.156 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.384 5.722 7.947 1.00 0.00 H new ATOM 1622 N ARG A 105 20.764 4.734 10.261 1.00 0.00 N ATOM 1623 CA ARG A 105 20.093 4.366 11.502 1.00 0.00 C ATOM 1624 C ARG A 105 18.932 5.314 11.784 1.00 0.00 C ATOM 1625 O ARG A 105 19.055 6.527 11.613 1.00 0.00 O ATOM 1626 CB ARG A 105 21.085 4.408 12.665 1.00 0.00 C ATOM 1627 CG ARG A 105 20.430 3.824 13.919 1.00 0.00 C ATOM 1628 CD ARG A 105 21.397 3.931 15.099 1.00 0.00 C ATOM 1629 NE ARG A 105 20.832 3.281 16.275 1.00 0.00 N ATOM 1630 CZ ARG A 105 20.796 1.956 16.378 1.00 0.00 C ATOM 1631 NH1 ARG A 105 21.272 1.214 15.416 1.00 0.00 N ATOM 1632 NH2 ARG A 105 20.285 1.398 17.441 1.00 0.00 N ATOM 0 H ARG A 105 21.500 5.432 10.367 1.00 0.00 H new ATOM 0 HA ARG A 105 19.703 3.354 11.396 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.981 3.841 12.413 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.400 5.435 12.851 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.507 4.359 14.142 1.00 0.00 H new ATOM 0 HG3 ARG A 105 20.161 2.781 13.749 1.00 0.00 H new ATOM 0 HD2 ARG A 105 22.349 3.468 14.841 1.00 0.00 H new ATOM 0 HD3 ARG A 105 21.601 4.979 15.317 1.00 0.00 H new ATOM 0 HE ARG A 105 20.458 3.853 17.032 1.00 0.00 H new ATOM 0 HH11 ARG A 105 21.672 1.651 14.585 1.00 0.00 H new ATOM 0 HH12 ARG A 105 21.245 0.197 15.495 1.00 0.00 H new ATOM 0 HH21 ARG A 105 19.913 1.978 18.193 1.00 0.00 H new ATOM 0 HH22 ARG A 105 20.257 0.381 17.520 1.00 0.00 H new ATOM 1646 N VAL A 106 17.805 4.755 12.212 1.00 0.00 N ATOM 1647 CA VAL A 106 16.628 5.565 12.508 1.00 0.00 C ATOM 1648 C VAL A 106 16.119 5.283 13.918 1.00 0.00 C ATOM 1649 O VAL A 106 16.038 4.130 14.342 1.00 0.00 O ATOM 1650 CB VAL A 106 15.522 5.265 11.495 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.489 6.395 11.517 1.00 0.00 C ATOM 1652 CG2 VAL A 106 16.129 5.158 10.095 1.00 0.00 C ATOM 0 H VAL A 106 17.681 3.754 12.361 1.00 0.00 H new ATOM 0 HA VAL A 106 16.909 6.616 12.442 1.00 0.00 H new ATOM 0 HB VAL A 106 15.037 4.324 11.755 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.701 6.181 10.795 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.056 6.473 12.514 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.974 7.336 11.257 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.341 4.944 9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.614 6.099 9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.865 4.354 10.078 1.00 0.00 H new ATOM 1662 N ASN A 107 15.771 6.346 14.636 1.00 0.00 N ATOM 1663 CA ASN A 107 15.265 6.207 15.997 1.00 0.00 C ATOM 1664 C ASN A 107 14.118 7.185 16.237 1.00 0.00 C ATOM 1665 O ASN A 107 14.284 8.396 16.094 1.00 0.00 O ATOM 1666 CB ASN A 107 16.386 6.474 17.003 1.00 0.00 C ATOM 1667 CG ASN A 107 16.621 7.975 17.137 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.632 8.525 16.522 1.00 0.00 O flip ATOM 1669 ND2 ASN A 107 15.863 8.665 17.819 1.00 0.00 N flip ATOM 0 H ASN A 107 15.829 7.308 14.301 1.00 0.00 H new ATOM 0 HA ASN A 107 14.898 5.189 16.129 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.124 6.051 17.973 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.303 5.982 16.678 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.073 8.233 18.299 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.025 9.669 17.904 1.00 0.00 H new ATOM 1676 N GLY A 108 12.957 6.652 16.599 1.00 0.00 N ATOM 1677 CA GLY A 108 11.791 7.492 16.852 1.00 0.00 C ATOM 1678 C GLY A 108 11.632 8.535 15.753 1.00 0.00 C ATOM 1679 O GLY A 108 12.285 9.579 15.778 1.00 0.00 O ATOM 0 H GLY A 108 12.798 5.652 16.723 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.895 6.873 16.906 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.895 7.987 17.818 1.00 0.00 H new ATOM 1683 N PHE A 109 10.765 8.249 14.788 1.00 0.00 N ATOM 1684 CA PHE A 109 10.550 9.168 13.676 1.00 0.00 C ATOM 1685 C PHE A 109 9.063 9.291 13.358 1.00 0.00 C ATOM 1686 O PHE A 109 8.277 8.390 13.650 1.00 0.00 O ATOM 1687 CB PHE A 109 11.296 8.666 12.439 1.00 0.00 C ATOM 1688 CG PHE A 109 10.822 7.273 12.099 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.364 6.168 12.766 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.829 7.088 11.129 1.00 0.00 C ATOM 1691 CE1 PHE A 109 10.914 4.878 12.463 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.377 5.798 10.827 1.00 0.00 C ATOM 1693 CZ PHE A 109 9.920 4.692 11.494 1.00 0.00 C ATOM 0 H PHE A 109 10.205 7.397 14.752 1.00 0.00 H new ATOM 0 HA PHE A 109 10.930 10.149 13.961 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.121 9.337 11.598 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.370 8.661 12.625 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.129 6.311 13.514 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.412 7.941 10.614 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.333 4.026 12.977 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.610 5.655 10.080 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.572 3.696 11.261 1.00 0.00 H new ATOM 1703 N LYS A 110 8.686 10.414 12.752 1.00 0.00 N ATOM 1704 CA LYS A 110 7.296 10.639 12.374 1.00 0.00 C ATOM 1705 C LYS A 110 7.128 10.503 10.865 1.00 0.00 C ATOM 1706 O LYS A 110 7.819 11.164 10.090 1.00 0.00 O ATOM 1707 CB LYS A 110 6.855 12.037 12.816 1.00 0.00 C ATOM 1708 CG LYS A 110 5.367 12.222 12.513 1.00 0.00 C ATOM 1709 CD LYS A 110 4.868 13.513 13.165 1.00 0.00 C ATOM 1710 CE LYS A 110 5.561 14.713 12.516 1.00 0.00 C ATOM 1711 NZ LYS A 110 4.772 15.948 12.787 1.00 0.00 N ATOM 0 H LYS A 110 9.320 11.177 12.514 1.00 0.00 H new ATOM 0 HA LYS A 110 6.676 9.891 12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.039 12.168 13.882 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.440 12.796 12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.207 12.261 11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.800 11.370 12.889 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.787 13.597 13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.074 13.496 14.235 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.571 14.820 12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.653 14.556 11.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.242 16.764 12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.816 15.843 12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.706 16.099 13.814 1.00 0.00 H new ATOM 1725 N SER A 111 6.210 9.634 10.454 1.00 0.00 N ATOM 1726 CA SER A 111 5.976 9.400 9.033 1.00 0.00 C ATOM 1727 C SER A 111 4.633 9.979 8.599 1.00 0.00 C ATOM 1728 O SER A 111 3.627 9.833 9.293 1.00 0.00 O ATOM 1729 CB SER A 111 6.002 7.899 8.744 1.00 0.00 C ATOM 1730 OG SER A 111 7.221 7.350 9.228 1.00 0.00 O ATOM 0 H SER A 111 5.620 9.084 11.079 1.00 0.00 H new ATOM 0 HA SER A 111 6.766 9.897 8.470 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.154 7.410 9.223 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.909 7.721 7.673 1.00 0.00 H new ATOM 0 HG SER A 111 7.475 6.581 8.677 1.00 0.00 H new ATOM 1736 N LYS A 112 4.627 10.633 7.441 1.00 0.00 N ATOM 1737 CA LYS A 112 3.401 11.211 6.902 1.00 0.00 C ATOM 1738 C LYS A 112 3.297 10.927 5.407 1.00 0.00 C ATOM 1739 O LYS A 112 4.146 11.354 4.625 1.00 0.00 O ATOM 1740 CB LYS A 112 3.384 12.722 7.140 1.00 0.00 C ATOM 1741 CG LYS A 112 2.028 13.290 6.714 1.00 0.00 C ATOM 1742 CD LYS A 112 2.021 14.806 6.922 1.00 0.00 C ATOM 1743 CE LYS A 112 0.618 15.351 6.649 1.00 0.00 C ATOM 1744 NZ LYS A 112 -0.306 14.910 7.733 1.00 0.00 N ATOM 0 H LYS A 112 5.453 10.775 6.860 1.00 0.00 H new ATOM 0 HA LYS A 112 2.550 10.758 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.566 12.937 8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.184 13.199 6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.836 13.055 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.230 12.829 7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.324 15.045 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.743 15.279 6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.643 16.440 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.259 14.995 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -1.134 15.539 7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.617 13.935 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.188 14.949 8.647 1.00 0.00 H new ATOM 1758 N MET A 113 2.255 10.199 5.015 1.00 0.00 N ATOM 1759 CA MET A 113 2.066 9.853 3.611 1.00 0.00 C ATOM 1760 C MET A 113 0.689 10.293 3.122 1.00 0.00 C ATOM 1761 O MET A 113 -0.160 10.708 3.909 1.00 0.00 O ATOM 1762 CB MET A 113 2.215 8.343 3.422 1.00 0.00 C ATOM 1763 CG MET A 113 3.672 7.941 3.647 1.00 0.00 C ATOM 1764 SD MET A 113 3.885 6.191 3.240 1.00 0.00 S ATOM 1765 CE MET A 113 3.110 5.516 4.730 1.00 0.00 C ATOM 0 H MET A 113 1.536 9.841 5.643 1.00 0.00 H new ATOM 0 HA MET A 113 2.826 10.373 3.027 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.569 7.813 4.121 1.00 0.00 H new ATOM 0 HB3 MET A 113 1.899 8.059 2.418 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.329 8.552 3.028 1.00 0.00 H new ATOM 0 HG3 MET A 113 3.954 8.121 4.684 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.419 4.479 4.863 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.418 6.100 5.597 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.026 5.561 4.629 1.00 0.00 H new ATOM 1775 N ASP A 114 0.479 10.194 1.812 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.794 10.579 1.215 1.00 0.00 C ATOM 1777 C ASP A 114 -0.885 10.064 -0.218 1.00 0.00 C ATOM 1778 O ASP A 114 0.087 9.536 -0.760 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.935 12.103 1.224 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.389 12.492 0.978 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.211 11.598 0.870 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.659 13.680 0.900 1.00 0.00 O ATOM 0 H ASP A 114 1.172 9.852 1.147 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.601 10.138 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.600 12.502 2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.298 12.540 0.456 1.00 0.00 H new ATOM 1787 N ALA A 115 -2.057 10.215 -0.827 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.255 9.764 -2.200 1.00 0.00 C ATOM 1789 C ALA A 115 -2.749 10.909 -3.078 1.00 0.00 C ATOM 1790 O ALA A 115 -3.954 11.095 -3.252 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.267 8.619 -2.236 1.00 0.00 C ATOM 0 H ALA A 115 -2.877 10.642 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.297 9.414 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.407 8.290 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.897 7.787 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.219 8.962 -1.832 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.811 11.671 -3.631 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.161 12.799 -4.486 1.00 0.00 C ATOM 1799 C LEU A 116 -2.351 12.338 -5.927 1.00 0.00 C ATOM 1800 O LEU A 116 -1.737 11.366 -6.366 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.062 13.860 -4.425 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.585 14.016 -2.979 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.381 15.199 -2.884 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.789 14.268 -2.071 1.00 0.00 C ATOM 0 H LEU A 116 -0.809 11.529 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.097 13.228 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.228 13.573 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.439 14.812 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.075 13.105 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.720 15.310 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.239 15.021 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.128 16.110 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.451 14.379 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.298 15.179 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.478 13.426 -2.138 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.190 13.017 -6.661 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.464 12.687 -8.091 1.00 0.00 C ATOM 1818 C PRO A 117 -2.284 13.026 -8.996 1.00 0.00 C ATOM 1819 O PRO A 117 -1.530 13.961 -8.724 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.684 13.544 -8.442 1.00 0.00 C ATOM 1821 CG PRO A 117 -4.642 14.704 -7.501 1.00 0.00 C ATOM 1822 CD PRO A 117 -3.996 14.198 -6.212 1.00 0.00 C ATOM 0 HA PRO A 117 -3.635 11.620 -8.235 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.644 13.878 -9.479 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.608 12.978 -8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.067 15.527 -7.926 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.646 15.083 -7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.368 14.961 -5.752 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.745 13.914 -5.473 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.130 12.264 -10.075 1.00 0.00 N ATOM 1831 CA LEU A 118 -1.034 12.493 -11.009 1.00 0.00 C ATOM 1832 C LEU A 118 -1.279 13.765 -11.814 1.00 0.00 C ATOM 1833 O LEU A 118 -2.273 13.875 -12.531 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.899 11.304 -11.961 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.604 10.035 -11.159 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.012 8.810 -11.978 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.894 9.964 -10.850 1.00 0.00 C ATOM 0 H LEU A 118 -2.745 11.489 -10.322 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.112 12.606 -10.439 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.817 11.178 -12.535 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.098 11.488 -12.677 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.168 10.055 -10.226 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.802 7.905 -11.408 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.078 8.860 -12.201 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.447 8.791 -12.910 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.105 9.060 -10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.457 9.943 -11.783 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.187 10.838 -10.268 1.00 0.00 H new ATOM 1849 N SER A 119 -0.365 14.721 -11.690 1.00 0.00 N ATOM 1850 CA SER A 119 -0.494 15.983 -12.411 1.00 0.00 C ATOM 1851 C SER A 119 0.114 15.866 -13.805 1.00 0.00 C ATOM 1852 O SER A 119 0.579 14.798 -14.203 1.00 0.00 O ATOM 1853 CB SER A 119 0.211 17.098 -11.638 1.00 0.00 C ATOM 1854 OG SER A 119 -0.453 17.301 -10.398 1.00 0.00 O ATOM 0 H SER A 119 0.466 14.648 -11.103 1.00 0.00 H new ATOM 0 HA SER A 119 -1.554 16.220 -12.507 1.00 0.00 H new ATOM 0 HB2 SER A 119 1.254 16.834 -11.466 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.207 18.019 -12.221 1.00 0.00 H new ATOM 0 HG SER A 119 -0.003 18.014 -9.899 1.00 0.00 H new ATOM 1860 N GLU A 120 0.106 16.972 -14.543 1.00 0.00 N ATOM 1861 CA GLU A 120 0.659 16.980 -15.892 1.00 0.00 C ATOM 1862 C GLU A 120 2.134 16.591 -15.866 1.00 0.00 C ATOM 1863 O GLU A 120 2.669 16.082 -16.850 1.00 0.00 O ATOM 1864 CB GLU A 120 0.506 18.370 -16.511 1.00 0.00 C ATOM 1865 CG GLU A 120 1.362 19.374 -15.736 1.00 0.00 C ATOM 1866 CD GLU A 120 1.059 20.791 -16.208 1.00 0.00 C ATOM 1867 OE1 GLU A 120 0.323 20.928 -17.172 1.00 0.00 O ATOM 1868 OE2 GLU A 120 1.566 21.720 -15.600 1.00 0.00 O ATOM 0 H GLU A 120 -0.274 17.866 -14.233 1.00 0.00 H new ATOM 0 HA GLU A 120 0.113 16.254 -16.494 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.810 18.349 -17.557 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.540 18.676 -16.489 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.162 19.287 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.419 19.152 -15.881 1.00 0.00 H new ATOM 1875 N GLU A 121 2.784 16.837 -14.733 1.00 0.00 N ATOM 1876 CA GLU A 121 4.198 16.508 -14.588 1.00 0.00 C ATOM 1877 C GLU A 121 4.425 15.018 -14.815 1.00 0.00 C ATOM 1878 O GLU A 121 5.390 14.619 -15.468 1.00 0.00 O ATOM 1879 CB GLU A 121 4.685 16.896 -13.191 1.00 0.00 C ATOM 1880 CG GLU A 121 4.594 18.413 -13.020 1.00 0.00 C ATOM 1881 CD GLU A 121 5.145 18.818 -11.658 1.00 0.00 C ATOM 1882 OE1 GLU A 121 5.417 17.933 -10.863 1.00 0.00 O ATOM 1883 OE2 GLU A 121 5.288 20.008 -11.428 1.00 0.00 O ATOM 0 H GLU A 121 2.359 17.260 -13.908 1.00 0.00 H new ATOM 0 HA GLU A 121 4.761 17.068 -15.335 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.081 16.397 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.714 16.565 -13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.155 18.911 -13.811 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.557 18.736 -13.113 1.00 0.00 H new ATOM 1890 N TYR A 122 3.530 14.198 -14.272 1.00 0.00 N ATOM 1891 CA TYR A 122 3.640 12.753 -14.431 1.00 0.00 C ATOM 1892 C TYR A 122 3.428 12.360 -15.889 1.00 0.00 C ATOM 1893 O TYR A 122 4.126 11.495 -16.418 1.00 0.00 O ATOM 1894 CB TYR A 122 2.603 12.049 -13.554 1.00 0.00 C ATOM 1895 CG TYR A 122 2.455 10.616 -14.004 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.481 9.694 -13.755 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.301 10.211 -14.684 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.352 8.370 -14.190 1.00 0.00 C ATOM 1899 CE2 TYR A 122 1.171 8.885 -15.116 1.00 0.00 C ATOM 1900 CZ TYR A 122 2.197 7.966 -14.869 1.00 0.00 C ATOM 1901 OH TYR A 122 2.070 6.658 -15.296 1.00 0.00 O ATOM 0 H TYR A 122 2.728 14.506 -13.723 1.00 0.00 H new ATOM 0 HA TYR A 122 4.640 12.447 -14.124 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.911 12.083 -12.509 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.644 12.564 -13.621 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.371 10.005 -13.228 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.510 10.921 -14.876 1.00 0.00 H new ATOM 0 HE1 TYR A 122 4.144 7.660 -14.002 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.280 8.572 -15.639 1.00 0.00 H new ATOM 0 HH TYR A 122 1.135 6.479 -15.529 1.00 0.00 H new ATOM 1911 N ARG A 123 2.459 13.003 -16.533 1.00 0.00 N ATOM 1912 CA ARG A 123 2.164 12.714 -17.932 1.00 0.00 C ATOM 1913 C ARG A 123 3.413 12.891 -18.789 1.00 0.00 C ATOM 1914 O ARG A 123 3.669 12.106 -19.702 1.00 0.00 O ATOM 1915 CB ARG A 123 1.061 13.646 -18.437 1.00 0.00 C ATOM 1916 CG ARG A 123 -0.205 13.439 -17.602 1.00 0.00 C ATOM 1917 CD ARG A 123 -1.373 14.181 -18.255 1.00 0.00 C ATOM 1918 NE ARG A 123 -1.729 13.547 -19.521 1.00 0.00 N ATOM 1919 CZ ARG A 123 -2.717 14.021 -20.271 1.00 0.00 C ATOM 1920 NH1 ARG A 123 -3.389 15.069 -19.880 1.00 0.00 N ATOM 1921 NH2 ARG A 123 -3.015 13.439 -21.400 1.00 0.00 N ATOM 0 H ARG A 123 1.869 13.721 -16.113 1.00 0.00 H new ATOM 0 HA ARG A 123 1.828 11.680 -18.007 1.00 0.00 H new ATOM 0 HB2 ARG A 123 1.388 14.684 -18.370 1.00 0.00 H new ATOM 0 HB3 ARG A 123 0.853 13.445 -19.488 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.433 12.376 -17.525 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.049 13.806 -16.588 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.233 14.181 -17.585 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.102 15.223 -18.425 1.00 0.00 H new ATOM 0 HE ARG A 123 -1.210 12.727 -19.835 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -3.155 15.525 -18.998 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -4.148 15.433 -20.457 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -2.489 12.620 -21.706 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -3.774 13.803 -21.977 1.00 0.00 H new ATOM 1935 N GLN A 124 4.187 13.928 -18.486 1.00 0.00 N ATOM 1936 CA GLN A 124 5.416 14.192 -19.225 1.00 0.00 C ATOM 1937 C GLN A 124 6.478 13.151 -18.890 1.00 0.00 C ATOM 1938 O GLN A 124 7.264 12.752 -19.749 1.00 0.00 O ATOM 1939 CB GLN A 124 5.942 15.588 -18.882 1.00 0.00 C ATOM 1940 CG GLN A 124 7.063 15.963 -19.852 1.00 0.00 C ATOM 1941 CD GLN A 124 6.482 16.249 -21.233 1.00 0.00 C ATOM 1942 OE1 GLN A 124 5.662 17.155 -21.387 1.00 0.00 O ATOM 1943 NE2 GLN A 124 6.860 15.527 -22.252 1.00 0.00 N ATOM 0 H GLN A 124 3.987 14.594 -17.740 1.00 0.00 H new ATOM 0 HA GLN A 124 5.195 14.138 -20.291 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.135 16.318 -18.943 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.312 15.607 -17.857 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.596 16.840 -19.484 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.788 15.152 -19.914 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.539 14.777 -22.122 1.00 0.00 H new ATOM 0 HE22 GLN A 124 6.476 15.712 -23.179 1.00 0.00 H new ATOM 1952 N HIS A 125 6.493 12.712 -17.635 1.00 0.00 N ATOM 1953 CA HIS A 125 7.460 11.712 -17.197 1.00 0.00 C ATOM 1954 C HIS A 125 7.299 10.426 -18.000 1.00 0.00 C ATOM 1955 O HIS A 125 8.252 9.666 -18.171 1.00 0.00 O ATOM 1956 CB HIS A 125 7.267 11.415 -15.709 1.00 0.00 C ATOM 1957 CG HIS A 125 7.911 10.099 -15.374 1.00 0.00 C ATOM 1958 ND1 HIS A 125 9.177 10.017 -14.815 1.00 0.00 N ATOM 1959 CD2 HIS A 125 7.470 8.805 -15.494 1.00 0.00 C ATOM 1960 CE1 HIS A 125 9.451 8.715 -14.621 1.00 0.00 C ATOM 1961 NE2 HIS A 125 8.445 7.932 -15.020 1.00 0.00 N ATOM 0 H HIS A 125 5.852 13.030 -16.909 1.00 0.00 H new ATOM 0 HA HIS A 125 8.463 12.106 -17.360 1.00 0.00 H new ATOM 0 HB2 HIS A 125 7.707 12.211 -15.108 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.204 11.384 -15.468 1.00 0.00 H new ATOM 0 HD2 HIS A 125 6.512 8.509 -15.895 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.372 8.347 -14.194 1.00 0.00 H new ATOM 0 HE2 HIS A 125 8.401 6.914 -14.985 1.00 0.00 H new ATOM 1970 N GLN A 126 6.087 10.189 -18.491 1.00 0.00 N ATOM 1971 CA GLN A 126 5.811 8.995 -19.280 1.00 0.00 C ATOM 1972 C GLN A 126 6.635 8.999 -20.564 1.00 0.00 C ATOM 1973 O GLN A 126 7.064 7.950 -21.041 1.00 0.00 O ATOM 1974 CB GLN A 126 4.322 8.930 -19.625 1.00 0.00 C ATOM 1975 CG GLN A 126 3.507 8.771 -18.340 1.00 0.00 C ATOM 1976 CD GLN A 126 2.017 8.752 -18.668 1.00 0.00 C ATOM 1977 OE1 GLN A 126 1.602 9.267 -19.706 1.00 0.00 O ATOM 1978 NE2 GLN A 126 1.183 8.185 -17.840 1.00 0.00 N ATOM 0 H GLN A 126 5.285 10.804 -18.357 1.00 0.00 H new ATOM 0 HA GLN A 126 6.085 8.120 -18.690 1.00 0.00 H new ATOM 0 HB2 GLN A 126 4.020 9.836 -20.150 1.00 0.00 H new ATOM 0 HB3 GLN A 126 4.130 8.093 -20.296 1.00 0.00 H new ATOM 0 HG2 GLN A 126 3.788 7.848 -17.833 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.727 9.591 -17.656 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.529 7.759 -16.980 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.186 8.168 -18.053 1.00 0.00 H new ATOM 1987 N ALA A 127 6.852 10.189 -21.117 1.00 0.00 N ATOM 1988 CA ALA A 127 7.619 10.317 -22.350 1.00 0.00 C ATOM 1989 C ALA A 127 9.086 9.975 -22.107 1.00 0.00 C ATOM 1990 O ALA A 127 9.615 9.026 -22.684 1.00 0.00 O ATOM 1991 CB ALA A 127 7.509 11.745 -22.889 1.00 0.00 C ATOM 0 H ALA A 127 6.511 11.071 -20.734 1.00 0.00 H new ATOM 0 HA ALA A 127 7.211 9.620 -23.082 1.00 0.00 H new ATOM 0 HB1 ALA A 127 8.085 11.832 -23.810 1.00 0.00 H new ATOM 0 HB2 ALA A 127 6.464 11.978 -23.091 1.00 0.00 H new ATOM 0 HB3 ALA A 127 7.900 12.444 -22.150 1.00 0.00 H new ATOM 1997 N GLU A 128 9.733 10.753 -21.246 1.00 0.00 N ATOM 1998 CA GLU A 128 11.140 10.526 -20.935 1.00 0.00 C ATOM 1999 C GLU A 128 11.331 9.158 -20.289 1.00 0.00 C ATOM 2000 O GLU A 128 12.453 8.661 -20.186 1.00 0.00 O ATOM 2001 CB GLU A 128 11.647 11.615 -19.987 1.00 0.00 C ATOM 2002 CG GLU A 128 11.135 11.338 -18.572 1.00 0.00 C ATOM 2003 CD GLU A 128 12.077 10.379 -17.854 1.00 0.00 C ATOM 2004 OE1 GLU A 128 13.277 10.526 -18.016 1.00 0.00 O ATOM 2005 OE2 GLU A 128 11.585 9.511 -17.152 1.00 0.00 O ATOM 0 H GLU A 128 9.310 11.540 -20.754 1.00 0.00 H new ATOM 0 HA GLU A 128 11.709 10.559 -21.864 1.00 0.00 H new ATOM 0 HB2 GLU A 128 12.737 11.639 -19.993 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.305 12.594 -20.324 1.00 0.00 H new ATOM 0 HG2 GLU A 128 11.060 12.272 -18.015 1.00 0.00 H new ATOM 0 HG3 GLU A 128 10.133 10.911 -18.616 1.00 0.00 H new ATOM 2012 N LYS A 129 10.228 8.553 -19.859 1.00 0.00 N ATOM 2013 CA LYS A 129 10.288 7.241 -19.225 1.00 0.00 C ATOM 2014 C LYS A 129 11.168 6.293 -20.034 1.00 0.00 C ATOM 2015 O LYS A 129 11.985 5.561 -19.477 1.00 0.00 O ATOM 2016 CB LYS A 129 8.879 6.655 -19.105 1.00 0.00 C ATOM 2017 CG LYS A 129 8.911 5.431 -18.188 1.00 0.00 C ATOM 2018 CD LYS A 129 7.483 4.942 -17.939 1.00 0.00 C ATOM 2019 CE LYS A 129 6.893 4.401 -19.243 1.00 0.00 C ATOM 2020 NZ LYS A 129 7.923 3.594 -19.957 1.00 0.00 N ATOM 0 H LYS A 129 9.290 8.946 -19.937 1.00 0.00 H new ATOM 0 HA LYS A 129 10.719 7.358 -18.231 1.00 0.00 H new ATOM 0 HB2 LYS A 129 8.195 7.404 -18.706 1.00 0.00 H new ATOM 0 HB3 LYS A 129 8.505 6.375 -20.090 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.504 4.638 -18.643 1.00 0.00 H new ATOM 0 HG3 LYS A 129 9.390 5.684 -17.242 1.00 0.00 H new ATOM 0 HD2 LYS A 129 7.482 4.163 -17.176 1.00 0.00 H new ATOM 0 HD3 LYS A 129 6.868 5.759 -17.561 1.00 0.00 H new ATOM 0 HE2 LYS A 129 6.017 3.788 -19.031 1.00 0.00 H new ATOM 0 HE3 LYS A 129 6.560 5.225 -19.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.455 2.926 -20.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.542 4.226 -20.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.491 3.066 -19.265 1.00 0.00 H new ATOM 2034 N ASP A 130 10.993 6.314 -21.352 1.00 0.00 N ATOM 2035 CA ASP A 130 11.778 5.453 -22.229 1.00 0.00 C ATOM 2036 C ASP A 130 12.920 6.235 -22.868 1.00 0.00 C ATOM 2037 O ASP A 130 12.980 7.461 -22.764 1.00 0.00 O ATOM 2038 CB ASP A 130 10.883 4.867 -23.323 1.00 0.00 C ATOM 2039 CG ASP A 130 10.298 5.990 -24.174 1.00 0.00 C ATOM 2040 OD1 ASP A 130 10.764 7.110 -24.044 1.00 0.00 O ATOM 2041 OD2 ASP A 130 9.394 5.713 -24.945 1.00 0.00 O ATOM 0 H ASP A 130 10.321 6.912 -21.832 1.00 0.00 H new ATOM 0 HA ASP A 130 12.198 4.644 -21.631 1.00 0.00 H new ATOM 0 HB2 ASP A 130 11.459 4.186 -23.950 1.00 0.00 H new ATOM 0 HB3 ASP A 130 10.079 4.283 -22.874 1.00 0.00 H new ATOM 2046 N LYS A 131 13.824 5.521 -23.530 1.00 0.00 N ATOM 2047 CA LYS A 131 14.961 6.160 -24.182 1.00 0.00 C ATOM 2048 C LYS A 131 15.736 7.018 -23.189 1.00 0.00 C ATOM 2049 O LYS A 131 16.185 8.083 -23.579 1.00 0.00 O ATOM 2050 CB LYS A 131 14.475 7.032 -25.342 1.00 0.00 C ATOM 2051 CG LYS A 131 13.806 6.151 -26.399 1.00 0.00 C ATOM 2052 CD LYS A 131 13.421 7.006 -27.608 1.00 0.00 C ATOM 2053 CE LYS A 131 12.637 6.154 -28.607 1.00 0.00 C ATOM 2054 NZ LYS A 131 12.134 7.020 -29.711 1.00 0.00 N ATOM 2055 OXT LYS A 131 15.870 6.598 -22.051 1.00 0.00 O ATOM 0 H LYS A 131 13.792 4.506 -23.629 1.00 0.00 H new ATOM 0 HA LYS A 131 15.621 5.381 -24.564 1.00 0.00 H new ATOM 0 HB2 LYS A 131 13.770 7.780 -24.978 1.00 0.00 H new ATOM 0 HB3 LYS A 131 15.314 7.572 -25.781 1.00 0.00 H new ATOM 0 HG2 LYS A 131 14.484 5.354 -26.705 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.920 5.673 -25.981 1.00 0.00 H new ATOM 0 HD2 LYS A 131 12.819 7.857 -27.288 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.316 7.409 -28.082 1.00 0.00 H new ATOM 0 HE2 LYS A 131 13.275 5.367 -29.009 1.00 0.00 H new ATOM 0 HE3 LYS A 131 11.802 5.663 -28.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.601 6.441 -30.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.512 7.755 -29.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.938 7.469 -30.194 1.00 0.00 H new TER 2069 LYS A 131