USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 871 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 82 TYR OH : rot 180:sc= 0.287 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 150:sc= 0.289 (180deg=0) USER MOD Set 2.1: A 85 ASN : amide:sc= -0.741 K(o=-0.74,f=-2.4!) USER MOD Set 2.2: A 95 LYS NZ :NH3+ -125:sc= 0.00322 (180deg=-0.634) USER MOD Set 3.1: A 8 MET CE :methyl -162:sc= -0.691 (180deg=-1.02) USER MOD Set 3.2: A 12 SER OG : rot -134:sc= 0.283 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0957 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 14 ASN : amide:sc= -3.01! C(o=-3!,f=-8!) USER MOD Single : A 16 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.5) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.027 X(o=-0.027,f=-0.43) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0562 K(o=-0.056,f=-1.7!) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.178 USER MOD Single : A 42 GLN : amide:sc=-0.00804 X(o=-0.008,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 46 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= -0.0381 X(o=-0.038,f=-0.4) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0442) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.687 K(o=-0.69,f=-2.8) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= -0.181 (180deg=-0.908) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= -0.0149 (180deg=-0.0149) USER MOD Single : A 63 GLN : amide:sc=-0.000755 X(o=-0.00076,f=-0.14) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -2.39! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0697) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 138:sc= -1.49! (180deg=-4.6!) USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0765) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -1.01 K(o=-1,f=-1.6) USER MOD Single : A 109 SER OG : rot 42:sc= 0.929 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 64:sc= 0.518 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.464 26.615 -8.574 1.00 0.00 N ATOM 2 CA GLY A 1 -1.621 27.242 -9.184 1.00 0.00 C ATOM 3 C GLY A 1 -2.137 28.417 -8.376 1.00 0.00 C ATOM 4 O GLY A 1 -1.674 28.664 -7.262 1.00 0.00 O ATOM 0 H1 GLY A 1 0.374 26.782 -9.167 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.306 27.021 -7.630 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.629 25.592 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.360 27.581 -10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.415 26.504 -9.294 1.00 0.00 H new ATOM 8 N SER A 2 -3.098 29.143 -8.937 1.00 0.00 N ATOM 9 CA SER A 2 -3.673 30.301 -8.264 1.00 0.00 C ATOM 10 C SER A 2 -5.166 30.102 -8.019 1.00 0.00 C ATOM 11 O SER A 2 -5.630 30.139 -6.879 1.00 0.00 O ATOM 12 CB SER A 2 -3.446 31.566 -9.095 1.00 0.00 C ATOM 13 OG SER A 2 -2.173 32.129 -8.830 1.00 0.00 O ATOM 0 H SER A 2 -3.495 28.950 -9.856 1.00 0.00 H new ATOM 0 HA SER A 2 -3.176 30.413 -7.300 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.528 31.328 -10.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.224 32.296 -8.871 1.00 0.00 H new ATOM 0 HG SER A 2 -2.052 32.935 -9.374 1.00 0.00 H new ATOM 19 N SER A 3 -5.913 29.889 -9.098 1.00 0.00 N ATOM 20 CA SER A 3 -7.354 29.687 -9.002 1.00 0.00 C ATOM 21 C SER A 3 -7.679 28.226 -8.707 1.00 0.00 C ATOM 22 O SER A 3 -6.951 27.322 -9.115 1.00 0.00 O ATOM 23 CB SER A 3 -8.039 30.123 -10.299 1.00 0.00 C ATOM 24 OG SER A 3 -8.399 31.492 -10.250 1.00 0.00 O ATOM 0 H SER A 3 -5.544 29.852 -10.048 1.00 0.00 H new ATOM 0 HA SER A 3 -7.728 30.297 -8.180 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.371 29.949 -11.143 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.928 29.516 -10.466 1.00 0.00 H new ATOM 0 HG SER A 3 -8.833 31.746 -11.091 1.00 0.00 H new ATOM 30 N GLY A 4 -8.780 28.003 -7.995 1.00 0.00 N ATOM 31 CA GLY A 4 -9.183 26.650 -7.657 1.00 0.00 C ATOM 32 C GLY A 4 -9.751 26.548 -6.255 1.00 0.00 C ATOM 33 O GLY A 4 -10.930 26.827 -6.034 1.00 0.00 O ATOM 0 H GLY A 4 -9.400 28.735 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.929 26.306 -8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.324 25.985 -7.747 1.00 0.00 H new ATOM 37 N SER A 5 -8.913 26.145 -5.306 1.00 0.00 N ATOM 38 CA SER A 5 -9.340 26.001 -3.919 1.00 0.00 C ATOM 39 C SER A 5 -9.240 27.331 -3.179 1.00 0.00 C ATOM 40 O SER A 5 -8.204 27.996 -3.212 1.00 0.00 O ATOM 41 CB SER A 5 -8.492 24.944 -3.209 1.00 0.00 C ATOM 42 OG SER A 5 -9.215 24.335 -2.154 1.00 0.00 O ATOM 0 H SER A 5 -7.934 25.912 -5.472 1.00 0.00 H new ATOM 0 HA SER A 5 -10.382 25.682 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.178 24.184 -3.925 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.586 25.405 -2.815 1.00 0.00 H new ATOM 0 HG SER A 5 -8.652 23.662 -1.717 1.00 0.00 H new ATOM 48 N SER A 6 -10.324 27.713 -2.511 1.00 0.00 N ATOM 49 CA SER A 6 -10.360 28.965 -1.765 1.00 0.00 C ATOM 50 C SER A 6 -11.026 28.769 -0.406 1.00 0.00 C ATOM 51 O SER A 6 -12.121 28.216 -0.313 1.00 0.00 O ATOM 52 CB SER A 6 -11.108 30.036 -2.562 1.00 0.00 C ATOM 53 OG SER A 6 -12.494 29.750 -2.625 1.00 0.00 O ATOM 0 H SER A 6 -11.189 27.173 -2.471 1.00 0.00 H new ATOM 0 HA SER A 6 -9.333 29.293 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.955 31.011 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.699 30.095 -3.571 1.00 0.00 H new ATOM 0 HG SER A 6 -12.949 30.450 -3.138 1.00 0.00 H new ATOM 59 N GLY A 7 -10.356 29.227 0.646 1.00 0.00 N ATOM 60 CA GLY A 7 -10.897 29.093 1.986 1.00 0.00 C ATOM 61 C GLY A 7 -10.313 27.910 2.732 1.00 0.00 C ATOM 62 O GLY A 7 -10.644 26.760 2.442 1.00 0.00 O ATOM 0 H GLY A 7 -9.448 29.689 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.699 30.006 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.980 28.983 1.928 1.00 0.00 H new ATOM 66 N MET A 8 -9.439 28.191 3.693 1.00 0.00 N ATOM 67 CA MET A 8 -8.807 27.139 4.482 1.00 0.00 C ATOM 68 C MET A 8 -8.618 27.584 5.928 1.00 0.00 C ATOM 69 O MET A 8 -7.988 28.608 6.196 1.00 0.00 O ATOM 70 CB MET A 8 -7.456 26.758 3.872 1.00 0.00 C ATOM 71 CG MET A 8 -7.558 26.237 2.448 1.00 0.00 C ATOM 72 SD MET A 8 -7.782 24.450 2.375 1.00 0.00 S ATOM 73 CE MET A 8 -6.325 23.963 1.455 1.00 0.00 C ATOM 0 H MET A 8 -9.152 29.137 3.944 1.00 0.00 H new ATOM 0 HA MET A 8 -9.461 26.267 4.472 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.802 27.630 3.885 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.986 25.997 4.496 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.394 26.725 1.946 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.655 26.509 1.901 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.467 22.960 1.053 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.161 24.663 0.636 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.458 23.969 2.116 1.00 0.00 H new ATOM 83 N SER A 9 -9.167 26.809 6.858 1.00 0.00 N ATOM 84 CA SER A 9 -9.062 27.126 8.277 1.00 0.00 C ATOM 85 C SER A 9 -8.566 25.919 9.068 1.00 0.00 C ATOM 86 O SER A 9 -7.604 26.015 9.831 1.00 0.00 O ATOM 87 CB SER A 9 -10.416 27.584 8.821 1.00 0.00 C ATOM 88 OG SER A 9 -10.313 27.985 10.176 1.00 0.00 O ATOM 0 H SER A 9 -9.689 25.957 6.654 1.00 0.00 H new ATOM 0 HA SER A 9 -8.340 27.935 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.791 28.413 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.140 26.774 8.732 1.00 0.00 H new ATOM 0 HG SER A 9 -11.192 28.275 10.499 1.00 0.00 H new ATOM 94 N SER A 10 -9.230 24.783 8.880 1.00 0.00 N ATOM 95 CA SER A 10 -8.860 23.557 9.578 1.00 0.00 C ATOM 96 C SER A 10 -7.885 22.731 8.746 1.00 0.00 C ATOM 97 O SER A 10 -7.739 22.946 7.542 1.00 0.00 O ATOM 98 CB SER A 10 -10.107 22.729 9.893 1.00 0.00 C ATOM 99 OG SER A 10 -10.686 22.208 8.710 1.00 0.00 O ATOM 0 H SER A 10 -10.027 24.686 8.250 1.00 0.00 H new ATOM 0 HA SER A 10 -8.370 23.834 10.512 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.844 21.911 10.564 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.836 23.348 10.416 1.00 0.00 H new ATOM 0 HG SER A 10 -11.480 21.681 8.939 1.00 0.00 H new ATOM 105 N THR A 11 -7.216 21.783 9.396 1.00 0.00 N ATOM 106 CA THR A 11 -6.253 20.925 8.718 1.00 0.00 C ATOM 107 C THR A 11 -6.800 20.432 7.383 1.00 0.00 C ATOM 108 O THR A 11 -7.909 19.903 7.313 1.00 0.00 O ATOM 109 CB THR A 11 -5.876 19.709 9.585 1.00 0.00 C ATOM 110 OG1 THR A 11 -4.819 18.971 8.962 1.00 0.00 O ATOM 111 CG2 THR A 11 -7.079 18.801 9.796 1.00 0.00 C ATOM 0 H THR A 11 -7.324 21.591 10.392 1.00 0.00 H new ATOM 0 HA THR A 11 -5.362 21.528 8.543 1.00 0.00 H new ATOM 0 HB THR A 11 -5.540 20.073 10.556 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.584 18.201 9.521 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.789 17.949 10.411 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.871 19.357 10.297 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.440 18.445 8.831 1.00 0.00 H new ATOM 119 N SER A 12 -6.014 20.609 6.326 1.00 0.00 N ATOM 120 CA SER A 12 -6.421 20.185 4.991 1.00 0.00 C ATOM 121 C SER A 12 -7.057 18.799 5.032 1.00 0.00 C ATOM 122 O SER A 12 -6.784 17.988 5.918 1.00 0.00 O ATOM 123 CB SER A 12 -5.218 20.179 4.046 1.00 0.00 C ATOM 124 OG SER A 12 -4.731 21.492 3.833 1.00 0.00 O ATOM 0 H SER A 12 -5.092 21.043 6.368 1.00 0.00 H new ATOM 0 HA SER A 12 -7.161 20.895 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.426 19.557 4.464 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.503 19.734 3.093 1.00 0.00 H new ATOM 0 HG SER A 12 -4.571 21.630 2.876 1.00 0.00 H new ATOM 130 N PRO A 13 -7.927 18.518 4.050 1.00 0.00 N ATOM 131 CA PRO A 13 -8.620 17.231 3.950 1.00 0.00 C ATOM 132 C PRO A 13 -7.678 16.093 3.573 1.00 0.00 C ATOM 133 O PRO A 13 -7.767 14.994 4.120 1.00 0.00 O ATOM 134 CB PRO A 13 -9.646 17.465 2.839 1.00 0.00 C ATOM 135 CG PRO A 13 -9.064 18.558 2.010 1.00 0.00 C ATOM 136 CD PRO A 13 -8.300 19.437 2.962 1.00 0.00 C ATOM 0 HA PRO A 13 -9.062 16.932 4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.804 16.562 2.249 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.615 17.752 3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.408 18.155 1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.846 19.121 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.422 19.875 2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.912 20.263 3.325 1.00 0.00 H new ATOM 144 N ASN A 14 -6.775 16.364 2.637 1.00 0.00 N ATOM 145 CA ASN A 14 -5.816 15.362 2.187 1.00 0.00 C ATOM 146 C ASN A 14 -4.996 14.829 3.358 1.00 0.00 C ATOM 147 O ASN A 14 -4.752 13.627 3.464 1.00 0.00 O ATOM 148 CB ASN A 14 -4.886 15.956 1.127 1.00 0.00 C ATOM 149 CG ASN A 14 -4.539 17.405 1.408 1.00 0.00 C ATOM 150 OD1 ASN A 14 -3.930 17.721 2.431 1.00 0.00 O ATOM 151 ND2 ASN A 14 -4.925 18.293 0.500 1.00 0.00 N ATOM 0 H ASN A 14 -6.687 17.269 2.175 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.373 14.533 1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.969 15.368 1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.361 15.882 0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.719 19.283 0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.427 17.985 -0.333 1.00 0.00 H new ATOM 158 N LEU A 15 -4.573 15.732 4.236 1.00 0.00 N ATOM 159 CA LEU A 15 -3.781 15.354 5.401 1.00 0.00 C ATOM 160 C LEU A 15 -4.625 14.574 6.404 1.00 0.00 C ATOM 161 O LEU A 15 -4.316 13.428 6.729 1.00 0.00 O ATOM 162 CB LEU A 15 -3.195 16.599 6.070 1.00 0.00 C ATOM 163 CG LEU A 15 -2.416 16.362 7.364 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.271 15.390 7.128 1.00 0.00 C ATOM 165 CD2 LEU A 15 -1.894 17.678 7.921 1.00 0.00 C ATOM 0 H LEU A 15 -4.765 16.731 4.163 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.967 14.713 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.535 17.093 5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.010 17.291 6.282 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.093 15.923 8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.728 15.234 8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.669 14.438 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.594 15.800 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.342 17.490 8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.233 18.145 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.732 18.343 8.130 1.00 0.00 H new ATOM 177 N GLN A 16 -5.692 15.202 6.887 1.00 0.00 N ATOM 178 CA GLN A 16 -6.581 14.565 7.851 1.00 0.00 C ATOM 179 C GLN A 16 -6.821 13.104 7.488 1.00 0.00 C ATOM 180 O GLN A 16 -6.792 12.225 8.350 1.00 0.00 O ATOM 181 CB GLN A 16 -7.914 15.313 7.919 1.00 0.00 C ATOM 182 CG GLN A 16 -8.827 14.829 9.034 1.00 0.00 C ATOM 183 CD GLN A 16 -8.252 15.088 10.412 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.456 16.155 10.992 1.00 0.00 O ATOM 185 NE2 GLN A 16 -7.528 14.111 10.945 1.00 0.00 N ATOM 0 H GLN A 16 -5.962 16.151 6.627 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.102 14.602 8.829 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.718 16.376 8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.431 15.205 6.965 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.794 15.326 8.948 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.006 13.761 8.914 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.384 13.243 10.429 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.116 14.228 11.870 1.00 0.00 H new ATOM 194 N LYS A 17 -7.060 12.850 6.205 1.00 0.00 N ATOM 195 CA LYS A 17 -7.305 11.495 5.726 1.00 0.00 C ATOM 196 C LYS A 17 -6.122 10.585 6.039 1.00 0.00 C ATOM 197 O LYS A 17 -6.300 9.443 6.460 1.00 0.00 O ATOM 198 CB LYS A 17 -7.569 11.506 4.218 1.00 0.00 C ATOM 199 CG LYS A 17 -7.779 10.122 3.628 1.00 0.00 C ATOM 200 CD LYS A 17 -8.705 10.164 2.424 1.00 0.00 C ATOM 201 CE LYS A 17 -9.409 8.832 2.215 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.638 8.978 1.387 1.00 0.00 N ATOM 0 H LYS A 17 -7.089 13.565 5.479 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.184 11.108 6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.450 12.116 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.729 11.983 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.817 9.701 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.198 9.461 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.447 10.951 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.132 10.418 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.727 8.133 1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.672 8.404 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.089 8.048 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.300 9.626 1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.385 9.362 0.454 1.00 0.00 H new ATOM 216 N ALA A 18 -4.914 11.099 5.832 1.00 0.00 N ATOM 217 CA ALA A 18 -3.702 10.334 6.095 1.00 0.00 C ATOM 218 C ALA A 18 -3.670 9.836 7.537 1.00 0.00 C ATOM 219 O ALA A 18 -3.264 8.705 7.804 1.00 0.00 O ATOM 220 CB ALA A 18 -2.471 11.176 5.798 1.00 0.00 C ATOM 0 H ALA A 18 -4.749 12.043 5.483 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.701 9.465 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.573 10.591 5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.481 11.478 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.476 12.063 6.431 1.00 0.00 H new ATOM 226 N ILE A 19 -4.098 10.689 8.461 1.00 0.00 N ATOM 227 CA ILE A 19 -4.118 10.335 9.875 1.00 0.00 C ATOM 228 C ILE A 19 -5.120 9.218 10.148 1.00 0.00 C ATOM 229 O ILE A 19 -4.744 8.118 10.553 1.00 0.00 O ATOM 230 CB ILE A 19 -4.468 11.550 10.755 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.395 12.632 10.618 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.618 11.126 12.208 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.671 13.619 9.505 1.00 0.00 C ATOM 0 H ILE A 19 -4.435 11.630 8.256 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.115 9.990 10.128 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.419 11.963 10.418 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.314 13.173 11.561 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.431 12.156 10.440 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.865 11.995 12.817 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.415 10.387 12.291 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.682 10.692 12.559 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.870 14.357 9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.723 13.089 8.554 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.619 14.123 9.692 1.00 0.00 H new ATOM 245 N ASP A 20 -6.397 9.509 9.924 1.00 0.00 N ATOM 246 CA ASP A 20 -7.454 8.528 10.142 1.00 0.00 C ATOM 247 C ASP A 20 -7.054 7.165 9.586 1.00 0.00 C ATOM 248 O ASP A 20 -7.150 6.149 10.275 1.00 0.00 O ATOM 249 CB ASP A 20 -8.756 8.997 9.492 1.00 0.00 C ATOM 250 CG ASP A 20 -9.982 8.406 10.160 1.00 0.00 C ATOM 251 OD1 ASP A 20 -10.391 7.293 9.770 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.533 9.057 11.072 1.00 0.00 O ATOM 0 H ASP A 20 -6.725 10.416 9.592 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.609 8.430 11.216 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.810 10.085 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.752 8.722 8.437 1.00 0.00 H new ATOM 257 N LEU A 21 -6.607 7.150 8.335 1.00 0.00 N ATOM 258 CA LEU A 21 -6.193 5.912 7.685 1.00 0.00 C ATOM 259 C LEU A 21 -5.133 5.190 8.511 1.00 0.00 C ATOM 260 O LEU A 21 -5.336 4.057 8.946 1.00 0.00 O ATOM 261 CB LEU A 21 -5.653 6.204 6.284 1.00 0.00 C ATOM 262 CG LEU A 21 -6.701 6.422 5.193 1.00 0.00 C ATOM 263 CD1 LEU A 21 -6.054 6.980 3.935 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.432 5.123 4.887 1.00 0.00 C ATOM 0 H LEU A 21 -6.522 7.982 7.751 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.066 5.265 7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.023 7.092 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.012 5.375 5.984 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.429 7.148 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.816 7.129 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.578 7.934 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.304 6.278 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.174 5.298 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.717 4.375 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.930 4.764 5.788 1.00 0.00 H new ATOM 276 N ALA A 22 -4.003 5.857 8.726 1.00 0.00 N ATOM 277 CA ALA A 22 -2.913 5.281 9.503 1.00 0.00 C ATOM 278 C ALA A 22 -3.421 4.712 10.824 1.00 0.00 C ATOM 279 O ALA A 22 -3.003 3.636 11.249 1.00 0.00 O ATOM 280 CB ALA A 22 -1.836 6.326 9.756 1.00 0.00 C ATOM 0 H ALA A 22 -3.819 6.796 8.373 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.482 4.462 8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.028 5.882 10.337 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.444 6.683 8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.263 7.163 10.309 1.00 0.00 H new ATOM 286 N SER A 23 -4.325 5.443 11.469 1.00 0.00 N ATOM 287 CA SER A 23 -4.887 5.014 12.744 1.00 0.00 C ATOM 288 C SER A 23 -5.607 3.676 12.597 1.00 0.00 C ATOM 289 O SER A 23 -5.381 2.748 13.374 1.00 0.00 O ATOM 290 CB SER A 23 -5.854 6.070 13.281 1.00 0.00 C ATOM 291 OG SER A 23 -6.095 5.885 14.665 1.00 0.00 O ATOM 0 H SER A 23 -4.684 6.335 11.129 1.00 0.00 H new ATOM 0 HA SER A 23 -4.067 4.890 13.451 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.442 7.065 13.110 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.796 6.017 12.735 1.00 0.00 H new ATOM 0 HG SER A 23 -6.715 6.574 14.984 1.00 0.00 H new ATOM 297 N LYS A 24 -6.475 3.586 11.596 1.00 0.00 N ATOM 298 CA LYS A 24 -7.229 2.363 11.344 1.00 0.00 C ATOM 299 C LYS A 24 -6.291 1.177 11.145 1.00 0.00 C ATOM 300 O LYS A 24 -6.448 0.136 11.782 1.00 0.00 O ATOM 301 CB LYS A 24 -8.121 2.534 10.112 1.00 0.00 C ATOM 302 CG LYS A 24 -9.380 1.685 10.151 1.00 0.00 C ATOM 303 CD LYS A 24 -10.306 2.009 8.991 1.00 0.00 C ATOM 304 CE LYS A 24 -11.472 1.035 8.919 1.00 0.00 C ATOM 305 NZ LYS A 24 -11.091 -0.237 8.245 1.00 0.00 N ATOM 0 H LYS A 24 -6.674 4.346 10.945 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.855 2.166 12.214 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.403 3.583 10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.548 2.279 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.110 0.630 10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.903 1.851 11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.686 3.025 9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.745 1.977 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.828 0.820 9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.299 1.498 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.913 -0.874 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.775 -0.035 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.319 -0.692 8.773 1.00 0.00 H new ATOM 319 N ALA A 25 -5.315 1.343 10.258 1.00 0.00 N ATOM 320 CA ALA A 25 -4.350 0.287 9.978 1.00 0.00 C ATOM 321 C ALA A 25 -4.044 -0.524 11.233 1.00 0.00 C ATOM 322 O ALA A 25 -4.137 -1.751 11.228 1.00 0.00 O ATOM 323 CB ALA A 25 -3.070 0.879 9.406 1.00 0.00 C ATOM 0 H ALA A 25 -5.172 2.198 9.721 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.788 -0.385 9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.359 0.079 9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.296 1.409 8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.637 1.574 10.125 1.00 0.00 H new ATOM 329 N ALA A 26 -3.679 0.170 12.306 1.00 0.00 N ATOM 330 CA ALA A 26 -3.361 -0.487 13.568 1.00 0.00 C ATOM 331 C ALA A 26 -4.519 -1.358 14.041 1.00 0.00 C ATOM 332 O ALA A 26 -4.328 -2.520 14.396 1.00 0.00 O ATOM 333 CB ALA A 26 -3.009 0.548 14.627 1.00 0.00 C ATOM 0 H ALA A 26 -3.596 1.186 12.327 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.498 -1.133 13.406 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.774 0.044 15.564 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.145 1.125 14.298 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.856 1.217 14.778 1.00 0.00 H new ATOM 339 N GLN A 27 -5.720 -0.787 14.043 1.00 0.00 N ATOM 340 CA GLN A 27 -6.909 -1.513 14.474 1.00 0.00 C ATOM 341 C GLN A 27 -6.965 -2.896 13.835 1.00 0.00 C ATOM 342 O GLN A 27 -7.121 -3.903 14.525 1.00 0.00 O ATOM 343 CB GLN A 27 -8.170 -0.723 14.120 1.00 0.00 C ATOM 344 CG GLN A 27 -8.329 0.560 14.919 1.00 0.00 C ATOM 345 CD GLN A 27 -9.061 0.345 16.230 1.00 0.00 C ATOM 346 OE1 GLN A 27 -10.290 0.399 16.284 1.00 0.00 O ATOM 347 NE2 GLN A 27 -8.308 0.098 17.295 1.00 0.00 N ATOM 0 H GLN A 27 -5.895 0.175 13.751 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.857 -1.636 15.556 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.150 -0.479 13.058 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.043 -1.355 14.286 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.344 0.981 15.122 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.872 1.292 14.320 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.293 0.062 17.205 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.745 -0.056 18.204 1.00 0.00 H new ATOM 356 N GLU A 28 -6.836 -2.937 12.513 1.00 0.00 N ATOM 357 CA GLU A 28 -6.873 -4.198 11.781 1.00 0.00 C ATOM 358 C GLU A 28 -5.790 -5.149 12.282 1.00 0.00 C ATOM 359 O GLU A 28 -6.068 -6.300 12.620 1.00 0.00 O ATOM 360 CB GLU A 28 -6.695 -3.949 10.282 1.00 0.00 C ATOM 361 CG GLU A 28 -7.704 -2.971 9.703 1.00 0.00 C ATOM 362 CD GLU A 28 -9.138 -3.380 9.982 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.536 -3.370 11.166 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.860 -3.708 9.018 1.00 0.00 O ATOM 0 H GLU A 28 -6.705 -2.112 11.927 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.846 -4.660 11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.689 -3.569 10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.777 -4.898 9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.525 -1.980 10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.554 -2.895 8.626 1.00 0.00 H new ATOM 371 N ASP A 29 -4.556 -4.661 12.325 1.00 0.00 N ATOM 372 CA ASP A 29 -3.430 -5.466 12.785 1.00 0.00 C ATOM 373 C ASP A 29 -3.717 -6.068 14.157 1.00 0.00 C ATOM 374 O ASP A 29 -3.562 -7.272 14.364 1.00 0.00 O ATOM 375 CB ASP A 29 -2.159 -4.619 12.842 1.00 0.00 C ATOM 376 CG ASP A 29 -0.901 -5.464 12.878 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.572 -5.991 13.961 1.00 0.00 O ATOM 378 OD2 ASP A 29 -0.245 -5.599 11.824 1.00 0.00 O ATOM 0 H ASP A 29 -4.309 -3.711 12.047 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.283 -6.280 12.075 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.126 -3.960 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.190 -3.981 13.725 1.00 0.00 H new ATOM 383 N LYS A 30 -4.136 -5.222 15.092 1.00 0.00 N ATOM 384 CA LYS A 30 -4.445 -5.669 16.446 1.00 0.00 C ATOM 385 C LYS A 30 -5.474 -6.795 16.425 1.00 0.00 C ATOM 386 O LYS A 30 -5.325 -7.797 17.123 1.00 0.00 O ATOM 387 CB LYS A 30 -4.968 -4.501 17.283 1.00 0.00 C ATOM 388 CG LYS A 30 -4.672 -4.635 18.767 1.00 0.00 C ATOM 389 CD LYS A 30 -5.713 -3.919 19.611 1.00 0.00 C ATOM 390 CE LYS A 30 -5.365 -2.451 19.798 1.00 0.00 C ATOM 391 NZ LYS A 30 -6.324 -1.765 20.708 1.00 0.00 N ATOM 0 H LYS A 30 -4.270 -4.223 14.937 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.527 -6.048 16.896 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.526 -3.575 16.915 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.046 -4.418 17.142 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.645 -5.690 19.039 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.685 -4.225 18.980 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.690 -4.005 19.135 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.789 -4.403 20.585 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.356 -2.366 20.202 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.363 -1.952 18.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.052 -0.766 20.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.283 -1.824 20.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.307 -2.225 21.641 1.00 0.00 H new ATOM 405 N ALA A 31 -6.516 -6.623 15.619 1.00 0.00 N ATOM 406 CA ALA A 31 -7.567 -7.626 15.505 1.00 0.00 C ATOM 407 C ALA A 31 -7.040 -8.903 14.860 1.00 0.00 C ATOM 408 O ALA A 31 -7.474 -10.005 15.194 1.00 0.00 O ATOM 409 CB ALA A 31 -8.739 -7.074 14.707 1.00 0.00 C ATOM 0 H ALA A 31 -6.655 -5.798 15.035 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.910 -7.873 16.510 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.517 -7.834 14.630 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.140 -6.194 15.211 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.401 -6.798 13.708 1.00 0.00 H new ATOM 415 N GLY A 32 -6.101 -8.748 13.932 1.00 0.00 N ATOM 416 CA GLY A 32 -5.530 -9.897 13.254 1.00 0.00 C ATOM 417 C GLY A 32 -5.530 -9.739 11.746 1.00 0.00 C ATOM 418 O GLY A 32 -5.076 -10.625 11.023 1.00 0.00 O ATOM 0 H GLY A 32 -5.725 -7.847 13.637 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.508 -10.048 13.600 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.093 -10.791 13.523 1.00 0.00 H new ATOM 422 N ASN A 33 -6.041 -8.609 11.271 1.00 0.00 N ATOM 423 CA ASN A 33 -6.100 -8.339 9.839 1.00 0.00 C ATOM 424 C ASN A 33 -4.799 -7.709 9.350 1.00 0.00 C ATOM 425 O ASN A 33 -4.540 -6.530 9.589 1.00 0.00 O ATOM 426 CB ASN A 33 -7.278 -7.415 9.520 1.00 0.00 C ATOM 427 CG ASN A 33 -8.567 -8.180 9.292 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.596 -9.164 8.553 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.643 -7.729 9.928 1.00 0.00 N ATOM 0 H ASN A 33 -6.420 -7.865 11.856 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.241 -9.288 9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.417 -6.711 10.341 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.045 -6.827 8.632 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.539 -8.202 9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.573 -6.909 10.531 1.00 0.00 H new ATOM 436 N TYR A 34 -3.985 -8.504 8.664 1.00 0.00 N ATOM 437 CA TYR A 34 -2.710 -8.026 8.143 1.00 0.00 C ATOM 438 C TYR A 34 -2.875 -7.456 6.738 1.00 0.00 C ATOM 439 O TYR A 34 -2.392 -6.365 6.438 1.00 0.00 O ATOM 440 CB TYR A 34 -1.684 -9.160 8.129 1.00 0.00 C ATOM 441 CG TYR A 34 -1.094 -9.461 9.488 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.874 -9.389 10.636 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.242 -9.816 9.625 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.340 -9.662 11.881 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.784 -10.093 10.865 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.011 -10.014 11.990 1.00 0.00 C ATOM 447 OH TYR A 34 0.526 -10.287 13.227 1.00 0.00 O ATOM 0 H TYR A 34 -4.186 -9.482 8.456 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.354 -7.231 8.798 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.157 -10.062 7.740 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.878 -8.901 7.442 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.915 -9.115 10.554 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.868 -9.876 8.747 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.960 -9.600 12.763 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.824 -10.370 10.953 1.00 0.00 H new ATOM 0 HH TYR A 34 1.473 -10.520 13.128 1.00 0.00 H new ATOM 457 N GLU A 35 -3.562 -8.205 5.880 1.00 0.00 N ATOM 458 CA GLU A 35 -3.791 -7.775 4.505 1.00 0.00 C ATOM 459 C GLU A 35 -4.487 -6.417 4.469 1.00 0.00 C ATOM 460 O GLU A 35 -4.174 -5.571 3.633 1.00 0.00 O ATOM 461 CB GLU A 35 -4.631 -8.812 3.757 1.00 0.00 C ATOM 462 CG GLU A 35 -5.815 -9.328 4.556 1.00 0.00 C ATOM 463 CD GLU A 35 -6.757 -10.176 3.723 1.00 0.00 C ATOM 464 OE1 GLU A 35 -6.263 -11.022 2.948 1.00 0.00 O ATOM 465 OE2 GLU A 35 -7.986 -9.994 3.846 1.00 0.00 O ATOM 0 H GLU A 35 -3.969 -9.111 6.112 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.823 -7.680 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.994 -8.371 2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.994 -9.653 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.451 -9.917 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.364 -8.483 4.971 1.00 0.00 H new ATOM 472 N GLU A 36 -5.434 -6.219 5.382 1.00 0.00 N ATOM 473 CA GLU A 36 -6.175 -4.966 5.453 1.00 0.00 C ATOM 474 C GLU A 36 -5.315 -3.858 6.053 1.00 0.00 C ATOM 475 O GLU A 36 -5.309 -2.728 5.566 1.00 0.00 O ATOM 476 CB GLU A 36 -7.447 -5.147 6.284 1.00 0.00 C ATOM 477 CG GLU A 36 -8.576 -4.214 5.879 1.00 0.00 C ATOM 478 CD GLU A 36 -9.430 -4.782 4.762 1.00 0.00 C ATOM 479 OE1 GLU A 36 -8.855 -5.263 3.763 1.00 0.00 O ATOM 480 OE2 GLU A 36 -10.672 -4.745 4.886 1.00 0.00 O ATOM 0 H GLU A 36 -5.705 -6.910 6.082 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.450 -4.678 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.788 -6.178 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.211 -4.983 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.205 -4.013 6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.157 -3.259 5.561 1.00 0.00 H new ATOM 487 N ALA A 37 -4.589 -4.191 7.116 1.00 0.00 N ATOM 488 CA ALA A 37 -3.724 -3.226 7.783 1.00 0.00 C ATOM 489 C ALA A 37 -2.663 -2.689 6.829 1.00 0.00 C ATOM 490 O ALA A 37 -2.302 -1.513 6.884 1.00 0.00 O ATOM 491 CB ALA A 37 -3.070 -3.858 9.002 1.00 0.00 C ATOM 0 H ALA A 37 -4.583 -5.122 7.533 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.340 -2.388 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.427 -3.126 9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.841 -4.186 9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.473 -4.715 8.691 1.00 0.00 H new ATOM 497 N LEU A 38 -2.165 -3.558 5.956 1.00 0.00 N ATOM 498 CA LEU A 38 -1.143 -3.171 4.989 1.00 0.00 C ATOM 499 C LEU A 38 -1.623 -2.008 4.126 1.00 0.00 C ATOM 500 O LEU A 38 -1.086 -0.904 4.203 1.00 0.00 O ATOM 501 CB LEU A 38 -0.775 -4.362 4.102 1.00 0.00 C ATOM 502 CG LEU A 38 0.092 -4.047 2.883 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.507 -3.691 3.311 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.105 -5.226 1.920 1.00 0.00 C ATOM 0 H LEU A 38 -2.452 -4.535 5.898 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.259 -2.850 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.253 -5.098 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.696 -4.831 3.756 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.337 -3.187 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.109 -3.470 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.481 -2.817 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.946 -4.531 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.727 -4.985 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.509 -6.104 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.912 -5.435 1.587 1.00 0.00 H new ATOM 516 N GLN A 39 -2.637 -2.266 3.306 1.00 0.00 N ATOM 517 CA GLN A 39 -3.189 -1.240 2.430 1.00 0.00 C ATOM 518 C GLN A 39 -3.367 0.077 3.178 1.00 0.00 C ATOM 519 O GLN A 39 -2.909 1.128 2.725 1.00 0.00 O ATOM 520 CB GLN A 39 -4.530 -1.698 1.855 1.00 0.00 C ATOM 521 CG GLN A 39 -4.409 -2.859 0.880 1.00 0.00 C ATOM 522 CD GLN A 39 -3.975 -2.416 -0.503 1.00 0.00 C ATOM 523 OE1 GLN A 39 -3.931 -1.222 -0.800 1.00 0.00 O ATOM 524 NE2 GLN A 39 -3.651 -3.379 -1.359 1.00 0.00 N ATOM 0 H GLN A 39 -3.092 -3.176 3.230 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.486 -1.080 1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.187 -1.990 2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.005 -0.857 1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.691 -3.581 1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.369 -3.371 0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.702 -4.356 -1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.351 -3.141 -2.305 1.00 0.00 H new ATOM 533 N LEU A 40 -4.034 0.015 4.325 1.00 0.00 N ATOM 534 CA LEU A 40 -4.273 1.203 5.137 1.00 0.00 C ATOM 535 C LEU A 40 -2.958 1.875 5.519 1.00 0.00 C ATOM 536 O LEU A 40 -2.847 3.101 5.500 1.00 0.00 O ATOM 537 CB LEU A 40 -5.057 0.834 6.398 1.00 0.00 C ATOM 538 CG LEU A 40 -6.542 0.528 6.200 1.00 0.00 C ATOM 539 CD1 LEU A 40 -7.112 -0.165 7.428 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.314 1.804 5.898 1.00 0.00 C ATOM 0 H LEU A 40 -4.419 -0.846 4.714 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.860 1.906 4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.585 -0.037 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.967 1.654 7.110 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.645 -0.144 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.170 -0.375 7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.578 -1.100 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.997 0.483 8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.369 1.567 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.204 2.501 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.923 2.259 4.988 1.00 0.00 H new ATOM 552 N TYR A 41 -1.964 1.064 5.864 1.00 0.00 N ATOM 553 CA TYR A 41 -0.657 1.579 6.251 1.00 0.00 C ATOM 554 C TYR A 41 0.006 2.312 5.088 1.00 0.00 C ATOM 555 O TYR A 41 0.581 3.386 5.265 1.00 0.00 O ATOM 556 CB TYR A 41 0.244 0.439 6.729 1.00 0.00 C ATOM 557 CG TYR A 41 0.072 0.105 8.193 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.156 1.094 9.166 1.00 0.00 C ATOM 559 CD2 TYR A 41 -0.172 -1.199 8.605 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.001 0.794 10.505 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.330 -1.509 9.942 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.243 -0.509 10.888 1.00 0.00 C ATOM 563 OH TYR A 41 -0.398 -0.813 12.221 1.00 0.00 O ATOM 0 H TYR A 41 -2.039 0.047 5.883 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.802 2.286 7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.036 -0.451 6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.284 0.708 6.546 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.346 2.115 8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.239 -1.985 7.867 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.070 1.575 11.248 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.520 -2.528 10.245 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.565 -1.774 12.320 1.00 0.00 H new ATOM 573 N GLN A 42 -0.081 1.724 3.900 1.00 0.00 N ATOM 574 CA GLN A 42 0.510 2.321 2.708 1.00 0.00 C ATOM 575 C GLN A 42 -0.228 3.596 2.314 1.00 0.00 C ATOM 576 O GLN A 42 0.388 4.638 2.089 1.00 0.00 O ATOM 577 CB GLN A 42 0.485 1.324 1.547 1.00 0.00 C ATOM 578 CG GLN A 42 1.136 -0.010 1.877 1.00 0.00 C ATOM 579 CD GLN A 42 1.520 -0.794 0.638 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.591 -0.589 0.067 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.645 -1.699 0.215 1.00 0.00 N ATOM 0 H GLN A 42 -0.555 0.835 3.737 1.00 0.00 H new ATOM 0 HA GLN A 42 1.545 2.578 2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.549 1.151 1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.993 1.765 0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.026 0.164 2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.451 -0.605 2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.231 -1.836 0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.849 -2.257 -0.614 1.00 0.00 H new ATOM 590 N HIS A 43 -1.552 3.506 2.232 1.00 0.00 N ATOM 591 CA HIS A 43 -2.375 4.653 1.865 1.00 0.00 C ATOM 592 C HIS A 43 -2.008 5.875 2.703 1.00 0.00 C ATOM 593 O HIS A 43 -1.661 6.926 2.166 1.00 0.00 O ATOM 594 CB HIS A 43 -3.857 4.323 2.045 1.00 0.00 C ATOM 595 CG HIS A 43 -4.492 3.735 0.823 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.623 4.425 -0.363 1.00 0.00 N ATOM 597 CD2 HIS A 43 -5.033 2.513 0.608 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.219 3.653 -1.255 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.477 2.487 -0.691 1.00 0.00 N ATOM 0 H HIS A 43 -2.077 2.651 2.415 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.187 4.883 0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.967 3.624 2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.392 5.232 2.321 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.102 1.708 1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.455 3.929 -2.272 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.932 1.696 -1.146 1.00 0.00 H new ATOM 608 N ALA A 44 -2.089 5.728 4.022 1.00 0.00 N ATOM 609 CA ALA A 44 -1.764 6.818 4.933 1.00 0.00 C ATOM 610 C ALA A 44 -0.545 7.595 4.448 1.00 0.00 C ATOM 611 O ALA A 44 -0.577 8.821 4.347 1.00 0.00 O ATOM 612 CB ALA A 44 -1.525 6.280 6.336 1.00 0.00 C ATOM 0 H ALA A 44 -2.377 4.865 4.483 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.612 7.502 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.283 7.105 7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.424 5.776 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.696 5.572 6.318 1.00 0.00 H new ATOM 618 N VAL A 45 0.531 6.873 4.149 1.00 0.00 N ATOM 619 CA VAL A 45 1.761 7.494 3.674 1.00 0.00 C ATOM 620 C VAL A 45 1.525 8.258 2.376 1.00 0.00 C ATOM 621 O VAL A 45 1.937 9.410 2.239 1.00 0.00 O ATOM 622 CB VAL A 45 2.867 6.447 3.446 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.115 7.104 2.875 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.185 5.718 4.743 1.00 0.00 C ATOM 0 H VAL A 45 0.575 5.857 4.228 1.00 0.00 H new ATOM 0 HA VAL A 45 2.084 8.190 4.449 1.00 0.00 H new ATOM 0 HB VAL A 45 2.507 5.715 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.886 6.349 2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.874 7.577 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.481 7.858 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.969 4.982 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.525 6.436 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.289 5.214 5.106 1.00 0.00 H new ATOM 634 N GLN A 46 0.858 7.610 1.427 1.00 0.00 N ATOM 635 CA GLN A 46 0.567 8.229 0.139 1.00 0.00 C ATOM 636 C GLN A 46 0.007 9.635 0.325 1.00 0.00 C ATOM 637 O GLN A 46 0.501 10.594 -0.269 1.00 0.00 O ATOM 638 CB GLN A 46 -0.425 7.372 -0.650 1.00 0.00 C ATOM 639 CG GLN A 46 0.056 5.951 -0.892 1.00 0.00 C ATOM 640 CD GLN A 46 -0.520 5.347 -2.157 1.00 0.00 C ATOM 641 OE1 GLN A 46 -0.772 6.050 -3.136 1.00 0.00 O ATOM 642 NE2 GLN A 46 -0.732 4.036 -2.144 1.00 0.00 N ATOM 0 H GLN A 46 0.509 6.657 1.525 1.00 0.00 H new ATOM 0 HA GLN A 46 1.500 8.300 -0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.372 7.339 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.621 7.849 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.144 5.946 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.218 5.329 -0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.509 3.492 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.118 3.574 -2.967 1.00 0.00 H new ATOM 651 N TYR A 47 -1.026 9.750 1.152 1.00 0.00 N ATOM 652 CA TYR A 47 -1.655 11.039 1.414 1.00 0.00 C ATOM 653 C TYR A 47 -0.680 11.992 2.100 1.00 0.00 C ATOM 654 O TYR A 47 -0.515 13.137 1.680 1.00 0.00 O ATOM 655 CB TYR A 47 -2.901 10.855 2.282 1.00 0.00 C ATOM 656 CG TYR A 47 -4.019 10.112 1.586 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.856 10.761 0.687 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.240 8.762 1.829 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.880 10.087 0.049 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.260 8.080 1.195 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.077 8.747 0.306 1.00 0.00 C ATOM 662 OH TYR A 47 -7.095 8.071 -0.327 1.00 0.00 O ATOM 0 H TYR A 47 -1.445 8.966 1.652 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.947 11.473 0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.626 10.315 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.265 11.834 2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.704 11.811 0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.603 8.237 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.522 10.607 -0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.417 7.030 1.394 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.097 7.135 -0.036 1.00 0.00 H new ATOM 672 N PHE A 48 -0.037 11.509 3.158 1.00 0.00 N ATOM 673 CA PHE A 48 0.922 12.316 3.903 1.00 0.00 C ATOM 674 C PHE A 48 1.893 13.018 2.958 1.00 0.00 C ATOM 675 O PHE A 48 2.147 14.217 3.089 1.00 0.00 O ATOM 676 CB PHE A 48 1.697 11.442 4.892 1.00 0.00 C ATOM 677 CG PHE A 48 0.999 11.263 6.209 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.624 12.362 6.965 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.717 9.995 6.692 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.019 12.201 8.177 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.074 9.828 7.904 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.294 10.932 8.648 1.00 0.00 C ATOM 0 H PHE A 48 -0.163 10.563 3.519 1.00 0.00 H new ATOM 0 HA PHE A 48 0.368 13.075 4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.866 10.463 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.677 11.886 5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.837 13.357 6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.003 9.128 6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.306 13.066 8.756 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.141 8.835 8.269 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.796 10.803 9.596 1.00 0.00 H new ATOM 692 N LEU A 49 2.433 12.265 2.007 1.00 0.00 N ATOM 693 CA LEU A 49 3.376 12.813 1.039 1.00 0.00 C ATOM 694 C LEU A 49 2.715 13.888 0.183 1.00 0.00 C ATOM 695 O LEU A 49 3.091 15.060 0.239 1.00 0.00 O ATOM 696 CB LEU A 49 3.926 11.700 0.146 1.00 0.00 C ATOM 697 CG LEU A 49 4.919 10.741 0.803 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.063 9.473 -0.024 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.270 11.416 0.987 1.00 0.00 C ATOM 0 H LEU A 49 2.234 11.272 1.885 1.00 0.00 H new ATOM 0 HA LEU A 49 4.199 13.269 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.086 11.118 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.411 12.159 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 49 4.535 10.468 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.774 8.802 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.095 8.979 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.424 9.728 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.964 10.719 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.661 11.719 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.154 12.295 1.622 1.00 0.00 H new ATOM 711 N HIS A 50 1.726 13.483 -0.607 1.00 0.00 N ATOM 712 CA HIS A 50 1.010 14.412 -1.474 1.00 0.00 C ATOM 713 C HIS A 50 0.883 15.782 -0.814 1.00 0.00 C ATOM 714 O HIS A 50 1.049 16.814 -1.465 1.00 0.00 O ATOM 715 CB HIS A 50 -0.378 13.864 -1.808 1.00 0.00 C ATOM 716 CG HIS A 50 -1.205 14.795 -2.641 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.708 15.465 -3.739 1.00 0.00 N ATOM 718 CD2 HIS A 50 -2.502 15.165 -2.532 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.664 16.207 -4.269 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.763 16.043 -3.555 1.00 0.00 N ATOM 0 H HIS A 50 1.402 12.518 -0.665 1.00 0.00 H new ATOM 0 HA HIS A 50 1.580 14.523 -2.396 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.268 12.917 -2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.909 13.651 -0.880 1.00 0.00 H new ATOM 0 HD1 HIS A 50 0.248 15.398 -4.088 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.202 14.832 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.564 16.840 -5.138 1.00 0.00 H new ATOM 729 N VAL A 51 0.588 15.785 0.482 1.00 0.00 N ATOM 730 CA VAL A 51 0.439 17.028 1.230 1.00 0.00 C ATOM 731 C VAL A 51 1.764 17.778 1.317 1.00 0.00 C ATOM 732 O VAL A 51 1.874 18.919 0.868 1.00 0.00 O ATOM 733 CB VAL A 51 -0.085 16.766 2.654 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.203 18.071 3.427 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.422 16.043 2.605 1.00 0.00 C ATOM 0 H VAL A 51 0.447 14.940 1.036 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.286 17.638 0.691 1.00 0.00 H new ATOM 0 HB VAL A 51 0.629 16.126 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.575 17.867 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.776 18.545 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.895 18.737 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.777 15.866 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.147 16.655 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.301 15.089 2.091 1.00 0.00 H new ATOM 745 N VAL A 52 2.768 17.129 1.897 1.00 0.00 N ATOM 746 CA VAL A 52 4.087 17.734 2.042 1.00 0.00 C ATOM 747 C VAL A 52 4.639 18.178 0.692 1.00 0.00 C ATOM 748 O VAL A 52 5.564 18.988 0.623 1.00 0.00 O ATOM 749 CB VAL A 52 5.083 16.758 2.697 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.481 17.357 2.718 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.628 16.396 4.102 1.00 0.00 C ATOM 0 H VAL A 52 2.694 16.184 2.274 1.00 0.00 H new ATOM 0 HA VAL A 52 3.967 18.605 2.686 1.00 0.00 H new ATOM 0 HB VAL A 52 5.114 15.844 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.171 16.654 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.805 17.561 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.470 18.286 3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.343 15.706 4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.567 17.299 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.647 15.923 4.056 1.00 0.00 H new ATOM 761 N LYS A 53 4.066 17.642 -0.380 1.00 0.00 N ATOM 762 CA LYS A 53 4.499 17.983 -1.730 1.00 0.00 C ATOM 763 C LYS A 53 3.939 19.337 -2.155 1.00 0.00 C ATOM 764 O LYS A 53 4.692 20.269 -2.440 1.00 0.00 O ATOM 765 CB LYS A 53 4.054 16.903 -2.719 1.00 0.00 C ATOM 766 CG LYS A 53 4.983 16.750 -3.911 1.00 0.00 C ATOM 767 CD LYS A 53 4.779 17.865 -4.923 1.00 0.00 C ATOM 768 CE LYS A 53 5.883 17.877 -5.969 1.00 0.00 C ATOM 769 NZ LYS A 53 7.159 18.416 -5.424 1.00 0.00 N ATOM 0 H LYS A 53 3.300 16.969 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 53 5.587 18.042 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.987 15.949 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.053 17.141 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.018 16.752 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.807 15.786 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.813 17.741 -5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.754 18.825 -4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.045 16.864 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.569 18.480 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.839 18.550 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.980 19.329 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.551 17.746 -4.732 1.00 0.00 H new ATOM 783 N TYR A 54 2.616 19.439 -2.194 1.00 0.00 N ATOM 784 CA TYR A 54 1.956 20.679 -2.585 1.00 0.00 C ATOM 785 C TYR A 54 1.451 21.437 -1.361 1.00 0.00 C ATOM 786 O TYR A 54 1.696 22.634 -1.214 1.00 0.00 O ATOM 787 CB TYR A 54 0.792 20.385 -3.533 1.00 0.00 C ATOM 788 CG TYR A 54 1.163 19.478 -4.684 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.133 18.096 -4.542 1.00 0.00 C ATOM 790 CD2 TYR A 54 1.543 20.002 -5.913 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.472 17.263 -5.591 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.882 19.176 -6.968 1.00 0.00 C ATOM 793 CZ TYR A 54 1.845 17.808 -6.801 1.00 0.00 C ATOM 794 OH TYR A 54 2.183 16.982 -7.849 1.00 0.00 O ATOM 0 H TYR A 54 1.979 18.678 -1.960 1.00 0.00 H new ATOM 0 HA TYR A 54 2.687 21.303 -3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.019 19.927 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.412 21.326 -3.931 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.840 17.666 -3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.574 21.073 -6.046 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.445 16.191 -5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.174 19.600 -7.918 1.00 0.00 H new ATOM 0 HH TYR A 54 2.420 17.525 -8.630 1.00 0.00 H new ATOM 804 N GLU A 55 0.744 20.729 -0.485 1.00 0.00 N ATOM 805 CA GLU A 55 0.204 21.335 0.727 1.00 0.00 C ATOM 806 C GLU A 55 1.241 21.330 1.846 1.00 0.00 C ATOM 807 O GLU A 55 0.911 21.116 3.012 1.00 0.00 O ATOM 808 CB GLU A 55 -1.054 20.590 1.179 1.00 0.00 C ATOM 809 CG GLU A 55 -2.269 20.864 0.309 1.00 0.00 C ATOM 810 CD GLU A 55 -2.921 22.197 0.621 1.00 0.00 C ATOM 811 OE1 GLU A 55 -2.213 23.225 0.594 1.00 0.00 O ATOM 812 OE2 GLU A 55 -4.140 22.211 0.892 1.00 0.00 O ATOM 0 H GLU A 55 0.532 19.737 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.056 22.369 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.852 19.519 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.283 20.871 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.972 20.846 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.998 20.066 0.448 1.00 0.00 H new ATOM 819 N ALA A 56 2.497 21.568 1.482 1.00 0.00 N ATOM 820 CA ALA A 56 3.583 21.593 2.454 1.00 0.00 C ATOM 821 C ALA A 56 3.379 22.706 3.476 1.00 0.00 C ATOM 822 O ALA A 56 2.654 23.668 3.222 1.00 0.00 O ATOM 823 CB ALA A 56 4.920 21.760 1.748 1.00 0.00 C ATOM 0 H ALA A 56 2.787 21.746 0.521 1.00 0.00 H new ATOM 0 HA ALA A 56 3.583 20.642 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.722 21.777 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.076 20.927 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.922 22.696 1.189 1.00 0.00 H new ATOM 829 N GLN A 57 4.022 22.569 4.631 1.00 0.00 N ATOM 830 CA GLN A 57 3.910 23.564 5.691 1.00 0.00 C ATOM 831 C GLN A 57 5.268 24.185 6.001 1.00 0.00 C ATOM 832 O GLN A 57 5.482 25.376 5.779 1.00 0.00 O ATOM 833 CB GLN A 57 3.326 22.929 6.954 1.00 0.00 C ATOM 834 CG GLN A 57 1.888 22.463 6.792 1.00 0.00 C ATOM 835 CD GLN A 57 1.398 21.657 7.978 1.00 0.00 C ATOM 836 OE1 GLN A 57 2.000 21.683 9.052 1.00 0.00 O ATOM 837 NE2 GLN A 57 0.301 20.933 7.791 1.00 0.00 N ATOM 0 H GLN A 57 4.626 21.779 4.857 1.00 0.00 H new ATOM 0 HA GLN A 57 3.241 24.353 5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.944 22.079 7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.376 23.650 7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.242 23.331 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.806 21.859 5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.167 20.940 6.885 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.074 20.369 8.554 1.00 0.00 H new ATOM 846 N GLY A 58 6.183 23.369 6.515 1.00 0.00 N ATOM 847 CA GLY A 58 7.509 23.857 6.848 1.00 0.00 C ATOM 848 C GLY A 58 8.442 22.746 7.286 1.00 0.00 C ATOM 849 O GLY A 58 8.084 21.569 7.237 1.00 0.00 O ATOM 0 H GLY A 58 6.030 22.379 6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.934 24.364 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.431 24.597 7.644 1.00 0.00 H new ATOM 853 N ASP A 59 9.643 23.119 7.715 1.00 0.00 N ATOM 854 CA ASP A 59 10.631 22.146 8.164 1.00 0.00 C ATOM 855 C ASP A 59 10.125 21.379 9.381 1.00 0.00 C ATOM 856 O ASP A 59 10.501 20.228 9.605 1.00 0.00 O ATOM 857 CB ASP A 59 11.951 22.843 8.497 1.00 0.00 C ATOM 858 CG ASP A 59 11.776 23.962 9.505 1.00 0.00 C ATOM 859 OD1 ASP A 59 11.476 25.099 9.084 1.00 0.00 O ATOM 860 OD2 ASP A 59 11.937 23.701 10.715 1.00 0.00 O ATOM 0 H ASP A 59 9.955 24.089 7.761 1.00 0.00 H new ATOM 0 HA ASP A 59 10.799 21.436 7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.656 22.111 8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.387 23.246 7.583 1.00 0.00 H new ATOM 865 N LYS A 60 9.270 22.025 10.167 1.00 0.00 N ATOM 866 CA LYS A 60 8.711 21.405 11.363 1.00 0.00 C ATOM 867 C LYS A 60 7.735 20.292 10.994 1.00 0.00 C ATOM 868 O LYS A 60 7.861 19.162 11.463 1.00 0.00 O ATOM 869 CB LYS A 60 8.003 22.454 12.223 1.00 0.00 C ATOM 870 CG LYS A 60 8.951 23.296 13.059 1.00 0.00 C ATOM 871 CD LYS A 60 9.402 24.539 12.311 1.00 0.00 C ATOM 872 CE LYS A 60 8.466 25.711 12.563 1.00 0.00 C ATOM 873 NZ LYS A 60 7.290 25.689 11.649 1.00 0.00 N ATOM 0 H LYS A 60 8.949 22.978 9.997 1.00 0.00 H new ATOM 0 HA LYS A 60 9.532 20.970 11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.422 23.111 11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.296 21.953 12.884 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.458 23.588 13.986 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.821 22.700 13.334 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.412 24.805 12.622 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.442 24.327 11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.123 25.685 13.597 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.011 26.646 12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.888 26.645 11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.589 25.368 10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.571 25.038 12.024 1.00 0.00 H new ATOM 887 N ALA A 61 6.763 20.620 10.148 1.00 0.00 N ATOM 888 CA ALA A 61 5.769 19.648 9.713 1.00 0.00 C ATOM 889 C ALA A 61 6.399 18.572 8.835 1.00 0.00 C ATOM 890 O ALA A 61 6.330 17.383 9.145 1.00 0.00 O ATOM 891 CB ALA A 61 4.639 20.345 8.969 1.00 0.00 C ATOM 0 H ALA A 61 6.644 21.552 9.751 1.00 0.00 H new ATOM 0 HA ALA A 61 5.361 19.162 10.599 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.904 19.606 8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.162 21.070 9.628 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.041 20.858 8.095 1.00 0.00 H new ATOM 897 N LYS A 62 7.015 18.998 7.737 1.00 0.00 N ATOM 898 CA LYS A 62 7.659 18.072 6.813 1.00 0.00 C ATOM 899 C LYS A 62 8.334 16.931 7.568 1.00 0.00 C ATOM 900 O LYS A 62 8.097 15.759 7.279 1.00 0.00 O ATOM 901 CB LYS A 62 8.689 18.810 5.955 1.00 0.00 C ATOM 902 CG LYS A 62 8.107 19.409 4.687 1.00 0.00 C ATOM 903 CD LYS A 62 8.894 20.628 4.234 1.00 0.00 C ATOM 904 CE LYS A 62 8.102 21.464 3.241 1.00 0.00 C ATOM 905 NZ LYS A 62 8.138 20.880 1.871 1.00 0.00 N ATOM 0 H LYS A 62 7.082 19.979 7.466 1.00 0.00 H new ATOM 0 HA LYS A 62 6.890 17.651 6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.141 19.605 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.488 18.119 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.108 18.659 3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.068 19.689 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.153 21.238 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.831 20.309 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.068 21.542 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.506 22.476 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.587 21.479 1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.123 20.829 1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.729 19.924 1.890 1.00 0.00 H new ATOM 919 N GLN A 63 9.173 17.283 8.537 1.00 0.00 N ATOM 920 CA GLN A 63 9.881 16.288 9.333 1.00 0.00 C ATOM 921 C GLN A 63 8.903 15.438 10.137 1.00 0.00 C ATOM 922 O GLN A 63 9.006 14.212 10.163 1.00 0.00 O ATOM 923 CB GLN A 63 10.876 16.970 10.274 1.00 0.00 C ATOM 924 CG GLN A 63 12.230 17.237 9.638 1.00 0.00 C ATOM 925 CD GLN A 63 13.183 16.066 9.781 1.00 0.00 C ATOM 926 OE1 GLN A 63 13.432 15.585 10.887 1.00 0.00 O ATOM 927 NE2 GLN A 63 13.720 15.599 8.660 1.00 0.00 N ATOM 0 H GLN A 63 9.379 18.250 8.790 1.00 0.00 H new ATOM 0 HA GLN A 63 10.426 15.635 8.651 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.452 17.914 10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.015 16.346 11.156 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.092 17.462 8.580 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.675 18.120 10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.486 16.028 7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.367 14.811 8.694 1.00 0.00 H new ATOM 936 N SER A 64 7.954 16.099 10.793 1.00 0.00 N ATOM 937 CA SER A 64 6.959 15.404 11.602 1.00 0.00 C ATOM 938 C SER A 64 6.248 14.330 10.784 1.00 0.00 C ATOM 939 O SER A 64 6.319 13.143 11.104 1.00 0.00 O ATOM 940 CB SER A 64 5.937 16.398 12.156 1.00 0.00 C ATOM 941 OG SER A 64 5.383 15.934 13.375 1.00 0.00 O ATOM 0 H SER A 64 7.853 17.114 10.780 1.00 0.00 H new ATOM 0 HA SER A 64 7.474 14.922 12.433 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.415 17.365 12.315 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.142 16.551 11.427 1.00 0.00 H new ATOM 0 HG SER A 64 4.734 16.588 13.709 1.00 0.00 H new ATOM 947 N ILE A 65 5.563 14.755 9.728 1.00 0.00 N ATOM 948 CA ILE A 65 4.840 13.830 8.864 1.00 0.00 C ATOM 949 C ILE A 65 5.770 12.758 8.307 1.00 0.00 C ATOM 950 O ILE A 65 5.453 11.568 8.342 1.00 0.00 O ATOM 951 CB ILE A 65 4.164 14.567 7.692 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.042 15.470 8.208 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.624 13.568 6.680 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.631 16.544 7.226 1.00 0.00 C ATOM 0 H ILE A 65 5.493 15.734 9.450 1.00 0.00 H new ATOM 0 HA ILE A 65 4.072 13.359 9.478 1.00 0.00 H new ATOM 0 HB ILE A 65 4.908 15.191 7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.174 14.856 8.447 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.364 15.942 9.136 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.149 14.103 5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.444 12.963 6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.891 12.921 7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.832 17.146 7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.487 17.182 7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.278 16.079 6.305 1.00 0.00 H new ATOM 966 N ARG A 66 6.919 13.186 7.795 1.00 0.00 N ATOM 967 CA ARG A 66 7.896 12.262 7.231 1.00 0.00 C ATOM 968 C ARG A 66 8.166 11.105 8.189 1.00 0.00 C ATOM 969 O ARG A 66 8.047 9.938 7.818 1.00 0.00 O ATOM 970 CB ARG A 66 9.202 12.995 6.919 1.00 0.00 C ATOM 971 CG ARG A 66 9.192 13.713 5.579 1.00 0.00 C ATOM 972 CD ARG A 66 10.406 14.616 5.422 1.00 0.00 C ATOM 973 NE ARG A 66 11.651 13.916 5.726 1.00 0.00 N ATOM 974 CZ ARG A 66 12.855 14.448 5.546 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.975 15.678 5.066 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.942 13.748 5.846 1.00 0.00 N ATOM 0 H ARG A 66 7.196 14.167 7.759 1.00 0.00 H new ATOM 0 HA ARG A 66 7.485 11.857 6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.400 13.720 7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.023 12.278 6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.175 12.980 4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.282 14.306 5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.444 14.998 4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.304 15.478 6.081 1.00 0.00 H new ATOM 0 HE ARG A 66 11.593 12.967 6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.142 16.218 4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.901 16.084 4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.853 12.801 6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.866 14.157 5.708 1.00 0.00 H new ATOM 990 N ALA A 67 8.531 11.438 9.423 1.00 0.00 N ATOM 991 CA ALA A 67 8.817 10.427 10.434 1.00 0.00 C ATOM 992 C ALA A 67 7.760 9.328 10.425 1.00 0.00 C ATOM 993 O ALA A 67 8.084 8.141 10.450 1.00 0.00 O ATOM 994 CB ALA A 67 8.903 11.068 11.811 1.00 0.00 C ATOM 0 H ALA A 67 8.636 12.400 9.747 1.00 0.00 H new ATOM 0 HA ALA A 67 9.779 9.972 10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.117 10.302 12.556 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.699 11.812 11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.954 11.550 12.048 1.00 0.00 H new ATOM 1000 N LYS A 68 6.494 9.731 10.390 1.00 0.00 N ATOM 1001 CA LYS A 68 5.388 8.781 10.377 1.00 0.00 C ATOM 1002 C LYS A 68 5.416 7.930 9.111 1.00 0.00 C ATOM 1003 O LYS A 68 5.287 6.707 9.171 1.00 0.00 O ATOM 1004 CB LYS A 68 4.052 9.520 10.479 1.00 0.00 C ATOM 1005 CG LYS A 68 3.577 9.725 11.907 1.00 0.00 C ATOM 1006 CD LYS A 68 4.488 10.675 12.666 1.00 0.00 C ATOM 1007 CE LYS A 68 5.611 9.928 13.369 1.00 0.00 C ATOM 1008 NZ LYS A 68 6.316 10.789 14.359 1.00 0.00 N ATOM 0 H LYS A 68 6.209 10.710 10.370 1.00 0.00 H new ATOM 0 HA LYS A 68 5.498 8.122 11.238 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.146 10.491 9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.294 8.961 9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.561 10.121 11.900 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.542 8.765 12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.911 11.404 11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.905 11.232 13.400 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.204 9.052 13.874 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.325 9.566 12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.074 10.243 14.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.727 11.612 13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.640 11.114 15.080 1.00 0.00 H new ATOM 1022 N CYS A 69 5.586 8.585 7.968 1.00 0.00 N ATOM 1023 CA CYS A 69 5.631 7.888 6.687 1.00 0.00 C ATOM 1024 C CYS A 69 6.575 6.692 6.753 1.00 0.00 C ATOM 1025 O CYS A 69 6.234 5.593 6.313 1.00 0.00 O ATOM 1026 CB CYS A 69 6.076 8.844 5.579 1.00 0.00 C ATOM 1027 SG CYS A 69 4.754 9.901 4.942 1.00 0.00 S ATOM 0 H CYS A 69 5.695 9.597 7.902 1.00 0.00 H new ATOM 0 HA CYS A 69 4.628 7.525 6.462 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.880 9.475 5.959 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.490 8.262 4.756 1.00 0.00 H new ATOM 0 HG CYS A 69 5.228 10.675 4.011 1.00 0.00 H new ATOM 1033 N THR A 70 7.765 6.912 7.303 1.00 0.00 N ATOM 1034 CA THR A 70 8.759 5.854 7.423 1.00 0.00 C ATOM 1035 C THR A 70 8.295 4.771 8.390 1.00 0.00 C ATOM 1036 O THR A 70 8.433 3.580 8.114 1.00 0.00 O ATOM 1037 CB THR A 70 10.114 6.408 7.902 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.592 7.396 6.983 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.140 5.292 8.033 1.00 0.00 C ATOM 0 H THR A 70 8.064 7.815 7.673 1.00 0.00 H new ATOM 0 HA THR A 70 8.882 5.422 6.430 1.00 0.00 H new ATOM 0 HB THR A 70 9.969 6.863 8.882 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.453 7.744 7.296 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.089 5.708 8.373 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.787 4.556 8.756 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.280 4.811 7.065 1.00 0.00 H new ATOM 1047 N GLU A 71 7.745 5.193 9.525 1.00 0.00 N ATOM 1048 CA GLU A 71 7.261 4.257 10.533 1.00 0.00 C ATOM 1049 C GLU A 71 6.216 3.315 9.943 1.00 0.00 C ATOM 1050 O GLU A 71 6.418 2.101 9.888 1.00 0.00 O ATOM 1051 CB GLU A 71 6.667 5.015 11.721 1.00 0.00 C ATOM 1052 CG GLU A 71 6.135 4.108 12.818 1.00 0.00 C ATOM 1053 CD GLU A 71 7.125 3.029 13.213 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.344 3.273 13.101 1.00 0.00 O ATOM 1055 OE2 GLU A 71 6.680 1.940 13.633 1.00 0.00 O ATOM 0 H GLU A 71 7.624 6.176 9.769 1.00 0.00 H new ATOM 0 HA GLU A 71 8.108 3.663 10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.430 5.670 12.141 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.859 5.654 11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.889 4.709 13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.209 3.641 12.481 1.00 0.00 H new ATOM 1062 N TYR A 72 5.098 3.882 9.503 1.00 0.00 N ATOM 1063 CA TYR A 72 4.019 3.093 8.920 1.00 0.00 C ATOM 1064 C TYR A 72 4.537 2.219 7.782 1.00 0.00 C ATOM 1065 O TYR A 72 4.181 1.045 7.673 1.00 0.00 O ATOM 1066 CB TYR A 72 2.908 4.011 8.408 1.00 0.00 C ATOM 1067 CG TYR A 72 2.316 4.900 9.478 1.00 0.00 C ATOM 1068 CD1 TYR A 72 1.935 4.380 10.709 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.137 6.260 9.259 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.393 5.188 11.690 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.598 7.077 10.234 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.227 6.536 11.447 1.00 0.00 C ATOM 1073 OH TYR A 72 0.688 7.346 12.421 1.00 0.00 O ATOM 0 H TYR A 72 4.915 4.885 9.539 1.00 0.00 H new ATOM 0 HA TYR A 72 3.616 2.444 9.698 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.304 4.635 7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.115 3.401 7.974 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.065 3.325 10.902 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.424 6.686 8.309 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.101 4.767 12.641 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.468 8.133 10.047 1.00 0.00 H new ATOM 0 HH TYR A 72 0.640 8.267 12.091 1.00 0.00 H new ATOM 1083 N LEU A 73 5.380 2.800 6.935 1.00 0.00 N ATOM 1084 CA LEU A 73 5.949 2.076 5.804 1.00 0.00 C ATOM 1085 C LEU A 73 6.616 0.784 6.265 1.00 0.00 C ATOM 1086 O LEU A 73 6.257 -0.306 5.819 1.00 0.00 O ATOM 1087 CB LEU A 73 6.963 2.953 5.069 1.00 0.00 C ATOM 1088 CG LEU A 73 6.382 3.986 4.102 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.391 5.091 3.832 1.00 0.00 C ATOM 1090 CD2 LEU A 73 5.957 3.319 2.802 1.00 0.00 C ATOM 0 H LEU A 73 5.684 3.771 7.010 1.00 0.00 H new ATOM 0 HA LEU A 73 5.138 1.821 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.565 3.478 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.639 2.304 4.512 1.00 0.00 H new ATOM 0 HG LEU A 73 5.501 4.432 4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.960 5.817 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.646 5.588 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.291 4.662 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.546 4.069 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.821 2.845 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.199 2.564 3.011 1.00 0.00 H new ATOM 1102 N ASP A 74 7.588 0.914 7.162 1.00 0.00 N ATOM 1103 CA ASP A 74 8.304 -0.244 7.686 1.00 0.00 C ATOM 1104 C ASP A 74 7.329 -1.304 8.189 1.00 0.00 C ATOM 1105 O ASP A 74 7.435 -2.477 7.832 1.00 0.00 O ATOM 1106 CB ASP A 74 9.243 0.180 8.817 1.00 0.00 C ATOM 1107 CG ASP A 74 10.411 -0.771 8.986 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.208 -1.993 8.832 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.529 -0.292 9.273 1.00 0.00 O ATOM 0 H ASP A 74 7.898 1.809 7.541 1.00 0.00 H new ATOM 0 HA ASP A 74 8.893 -0.673 6.876 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.621 1.182 8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.683 0.232 9.750 1.00 0.00 H new ATOM 1114 N ARG A 75 6.380 -0.882 9.019 1.00 0.00 N ATOM 1115 CA ARG A 75 5.388 -1.796 9.573 1.00 0.00 C ATOM 1116 C ARG A 75 4.702 -2.590 8.464 1.00 0.00 C ATOM 1117 O ARG A 75 4.604 -3.814 8.534 1.00 0.00 O ATOM 1118 CB ARG A 75 4.345 -1.022 10.381 1.00 0.00 C ATOM 1119 CG ARG A 75 3.131 -1.852 10.762 1.00 0.00 C ATOM 1120 CD ARG A 75 3.530 -3.106 11.525 1.00 0.00 C ATOM 1121 NE ARG A 75 2.492 -3.533 12.458 1.00 0.00 N ATOM 1122 CZ ARG A 75 2.170 -2.861 13.557 1.00 0.00 C ATOM 1123 NH1 ARG A 75 2.802 -1.735 13.859 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.213 -3.314 14.357 1.00 0.00 N ATOM 0 H ARG A 75 6.277 0.086 9.322 1.00 0.00 H new ATOM 0 HA ARG A 75 5.902 -2.495 10.232 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.812 -0.639 11.288 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.017 -0.159 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.456 -1.252 11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.583 -2.131 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.735 -3.910 10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.454 -2.919 12.072 1.00 0.00 H new ATOM 0 HE ARG A 75 1.986 -4.395 12.255 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.538 -1.383 13.246 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.552 -1.221 14.704 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.724 -4.179 14.128 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.967 -2.797 15.201 1.00 0.00 H new ATOM 1138 N ALA A 76 4.229 -1.883 7.443 1.00 0.00 N ATOM 1139 CA ALA A 76 3.554 -2.521 6.320 1.00 0.00 C ATOM 1140 C ALA A 76 4.472 -3.518 5.622 1.00 0.00 C ATOM 1141 O ALA A 76 4.083 -4.656 5.361 1.00 0.00 O ATOM 1142 CB ALA A 76 3.064 -1.471 5.333 1.00 0.00 C ATOM 0 H ALA A 76 4.301 -0.868 7.371 1.00 0.00 H new ATOM 0 HA ALA A 76 2.695 -3.068 6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.562 -1.962 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.366 -0.800 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.913 -0.899 4.959 1.00 0.00 H new ATOM 1148 N GLU A 77 5.692 -3.083 5.323 1.00 0.00 N ATOM 1149 CA GLU A 77 6.665 -3.939 4.653 1.00 0.00 C ATOM 1150 C GLU A 77 6.621 -5.356 5.216 1.00 0.00 C ATOM 1151 O GLU A 77 6.586 -6.333 4.468 1.00 0.00 O ATOM 1152 CB GLU A 77 8.074 -3.362 4.804 1.00 0.00 C ATOM 1153 CG GLU A 77 8.309 -2.106 3.982 1.00 0.00 C ATOM 1154 CD GLU A 77 9.782 -1.796 3.798 1.00 0.00 C ATOM 1155 OE1 GLU A 77 10.352 -1.094 4.660 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.364 -2.254 2.793 1.00 0.00 O ATOM 0 H GLU A 77 6.030 -2.144 5.534 1.00 0.00 H new ATOM 0 HA GLU A 77 6.408 -3.979 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.255 -3.137 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.801 -4.119 4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.841 -2.223 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.822 -1.261 4.469 1.00 0.00 H new ATOM 1163 N LYS A 78 6.624 -5.461 6.541 1.00 0.00 N ATOM 1164 CA LYS A 78 6.584 -6.757 7.207 1.00 0.00 C ATOM 1165 C LYS A 78 5.320 -7.524 6.829 1.00 0.00 C ATOM 1166 O LYS A 78 5.390 -8.632 6.296 1.00 0.00 O ATOM 1167 CB LYS A 78 6.649 -6.576 8.725 1.00 0.00 C ATOM 1168 CG LYS A 78 8.064 -6.553 9.275 1.00 0.00 C ATOM 1169 CD LYS A 78 8.562 -7.954 9.592 1.00 0.00 C ATOM 1170 CE LYS A 78 9.623 -7.935 10.682 1.00 0.00 C ATOM 1171 NZ LYS A 78 9.931 -9.304 11.179 1.00 0.00 N ATOM 0 H LYS A 78 6.654 -4.663 7.175 1.00 0.00 H new ATOM 0 HA LYS A 78 7.449 -7.333 6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.149 -5.645 8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.096 -7.384 9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.730 -6.085 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.095 -5.942 10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.725 -8.576 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.973 -8.408 8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.533 -7.476 10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.281 -7.316 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.658 -9.249 11.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.069 -9.733 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.282 -9.888 10.393 1.00 0.00 H new ATOM 1185 N LEU A 79 4.166 -6.928 7.108 1.00 0.00 N ATOM 1186 CA LEU A 79 2.886 -7.554 6.796 1.00 0.00 C ATOM 1187 C LEU A 79 2.978 -8.368 5.509 1.00 0.00 C ATOM 1188 O LEU A 79 2.442 -9.472 5.421 1.00 0.00 O ATOM 1189 CB LEU A 79 1.795 -6.491 6.664 1.00 0.00 C ATOM 1190 CG LEU A 79 1.386 -5.785 7.957 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.308 -4.747 7.681 1.00 0.00 C ATOM 1192 CD2 LEU A 79 0.904 -6.796 8.988 1.00 0.00 C ATOM 0 H LEU A 79 4.090 -6.012 7.550 1.00 0.00 H new ATOM 0 HA LEU A 79 2.630 -8.228 7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.134 -5.737 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.910 -6.959 6.234 1.00 0.00 H new ATOM 0 HG LEU A 79 2.260 -5.273 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.030 -4.255 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.688 -4.005 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.567 -5.236 7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.617 -6.275 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.044 -7.337 8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.705 -7.501 9.209 1.00 0.00 H new ATOM 1204 N LYS A 80 3.662 -7.815 4.513 1.00 0.00 N ATOM 1205 CA LYS A 80 3.828 -8.490 3.231 1.00 0.00 C ATOM 1206 C LYS A 80 4.617 -9.785 3.396 1.00 0.00 C ATOM 1207 O LYS A 80 4.113 -10.870 3.108 1.00 0.00 O ATOM 1208 CB LYS A 80 4.539 -7.570 2.236 1.00 0.00 C ATOM 1209 CG LYS A 80 3.887 -6.206 2.095 1.00 0.00 C ATOM 1210 CD LYS A 80 4.741 -5.263 1.265 1.00 0.00 C ATOM 1211 CE LYS A 80 4.288 -3.819 1.420 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.386 -2.858 1.120 1.00 0.00 N ATOM 0 H LYS A 80 4.111 -6.901 4.569 1.00 0.00 H new ATOM 0 HA LYS A 80 2.838 -8.735 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.574 -7.438 2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.563 -8.054 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.908 -6.316 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.724 -5.776 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.784 -5.353 1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.688 -5.551 0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.447 -3.629 0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.932 -3.657 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.121 -1.911 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.257 -3.166 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.548 -2.825 0.093 1.00 0.00 H new ATOM 1226 N GLU A 81 5.856 -9.663 3.863 1.00 0.00 N ATOM 1227 CA GLU A 81 6.713 -10.825 4.066 1.00 0.00 C ATOM 1228 C GLU A 81 5.972 -11.920 4.828 1.00 0.00 C ATOM 1229 O GLU A 81 6.295 -13.103 4.706 1.00 0.00 O ATOM 1230 CB GLU A 81 7.979 -10.426 4.827 1.00 0.00 C ATOM 1231 CG GLU A 81 8.641 -9.168 4.290 1.00 0.00 C ATOM 1232 CD GLU A 81 10.131 -9.128 4.571 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.511 -8.783 5.709 1.00 0.00 O ATOM 1234 OE2 GLU A 81 10.916 -9.441 3.652 1.00 0.00 O ATOM 0 H GLU A 81 6.288 -8.772 4.108 1.00 0.00 H new ATOM 0 HA GLU A 81 6.994 -11.213 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.729 -10.275 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.693 -11.249 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.476 -9.106 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.167 -8.294 4.736 1.00 0.00 H new ATOM 1241 N TYR A 82 4.979 -11.519 5.613 1.00 0.00 N ATOM 1242 CA TYR A 82 4.195 -12.465 6.397 1.00 0.00 C ATOM 1243 C TYR A 82 3.121 -13.125 5.538 1.00 0.00 C ATOM 1244 O TYR A 82 2.973 -14.348 5.539 1.00 0.00 O ATOM 1245 CB TYR A 82 3.547 -11.758 7.589 1.00 0.00 C ATOM 1246 CG TYR A 82 2.256 -12.399 8.045 1.00 0.00 C ATOM 1247 CD1 TYR A 82 2.264 -13.447 8.958 1.00 0.00 C ATOM 1248 CD2 TYR A 82 1.030 -11.959 7.564 1.00 0.00 C ATOM 1249 CE1 TYR A 82 1.087 -14.037 9.377 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -0.152 -12.542 7.979 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.118 -13.581 8.886 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.293 -14.165 9.300 1.00 0.00 O ATOM 0 H TYR A 82 4.698 -10.545 5.723 1.00 0.00 H new ATOM 0 HA TYR A 82 4.868 -13.240 6.764 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.251 -11.747 8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.353 -10.719 7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.206 -13.806 9.346 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.000 -11.147 6.853 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.111 -14.852 10.086 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.097 -12.186 7.596 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.050 -13.725 8.860 1.00 0.00 H new ATOM 1262 N LEU A 83 2.373 -12.308 4.805 1.00 0.00 N ATOM 1263 CA LEU A 83 1.312 -12.811 3.940 1.00 0.00 C ATOM 1264 C LEU A 83 1.875 -13.745 2.874 1.00 0.00 C ATOM 1265 O LEU A 83 1.359 -14.842 2.658 1.00 0.00 O ATOM 1266 CB LEU A 83 0.574 -11.647 3.276 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.316 -10.806 4.192 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.976 -9.681 3.409 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.367 -11.679 4.863 1.00 0.00 C ATOM 0 H LEU A 83 2.482 -11.294 4.792 1.00 0.00 H new ATOM 0 HA LEU A 83 0.611 -13.374 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.312 -10.990 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.042 -12.046 2.470 1.00 0.00 H new ATOM 0 HG LEU A 83 0.309 -10.363 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.605 -9.093 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.208 -9.040 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.588 -10.103 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.991 -11.064 5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.988 -12.150 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.875 -12.449 5.457 1.00 0.00 H new ATOM 1281 N LYS A 84 2.940 -13.305 2.212 1.00 0.00 N ATOM 1282 CA LYS A 84 3.577 -14.102 1.170 1.00 0.00 C ATOM 1283 C LYS A 84 4.163 -15.386 1.750 1.00 0.00 C ATOM 1284 O LYS A 84 4.366 -16.365 1.033 1.00 0.00 O ATOM 1285 CB LYS A 84 4.678 -13.292 0.481 1.00 0.00 C ATOM 1286 CG LYS A 84 5.839 -12.943 1.396 1.00 0.00 C ATOM 1287 CD LYS A 84 7.102 -12.645 0.606 1.00 0.00 C ATOM 1288 CE LYS A 84 6.998 -11.319 -0.131 1.00 0.00 C ATOM 1289 NZ LYS A 84 8.272 -10.965 -0.817 1.00 0.00 N ATOM 0 H LYS A 84 3.380 -12.400 2.379 1.00 0.00 H new ATOM 0 HA LYS A 84 2.817 -14.369 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.055 -13.858 -0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.248 -12.371 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.577 -12.077 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.024 -13.770 2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.958 -12.621 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.283 -13.447 -0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.193 -11.373 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.734 -10.531 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.161 -10.055 -1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.035 -10.888 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.511 -11.704 -1.508 1.00 0.00 H new ATOM 1303 N ASN A 85 4.430 -15.374 3.052 1.00 0.00 N ATOM 1304 CA ASN A 85 4.992 -16.538 3.727 1.00 0.00 C ATOM 1305 C ASN A 85 3.904 -17.559 4.047 1.00 0.00 C ATOM 1306 O ASN A 85 4.124 -18.767 3.956 1.00 0.00 O ATOM 1307 CB ASN A 85 5.702 -16.113 5.014 1.00 0.00 C ATOM 1308 CG ASN A 85 6.054 -17.295 5.897 1.00 0.00 C ATOM 1309 OD1 ASN A 85 5.175 -17.952 6.454 1.00 0.00 O ATOM 1310 ND2 ASN A 85 7.347 -17.570 6.029 1.00 0.00 N ATOM 0 H ASN A 85 4.266 -14.572 3.660 1.00 0.00 H new ATOM 0 HA ASN A 85 5.715 -17.002 3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.612 -15.568 4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.063 -15.426 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.645 -18.353 6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.042 -16.998 5.548 1.00 0.00 H new ATOM 1317 N LYS A 86 2.729 -17.065 4.421 1.00 0.00 N ATOM 1318 CA LYS A 86 1.604 -17.932 4.753 1.00 0.00 C ATOM 1319 C LYS A 86 0.980 -18.519 3.491 1.00 0.00 C ATOM 1320 O LYS A 86 0.942 -19.737 3.317 1.00 0.00 O ATOM 1321 CB LYS A 86 0.549 -17.154 5.542 1.00 0.00 C ATOM 1322 CG LYS A 86 -0.444 -18.043 6.270 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.276 -17.252 7.266 1.00 0.00 C ATOM 1324 CE LYS A 86 -0.605 -17.193 8.630 1.00 0.00 C ATOM 1325 NZ LYS A 86 -1.599 -17.100 9.734 1.00 0.00 N ATOM 0 H LYS A 86 2.530 -16.068 4.502 1.00 0.00 H new ATOM 0 HA LYS A 86 1.977 -18.751 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.050 -16.513 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.006 -16.500 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.102 -18.524 5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.091 -18.837 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.430 -16.240 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.261 -17.709 7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.011 -18.081 8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.063 -16.332 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.214 -17.553 10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.802 -16.100 9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.477 -17.582 9.452 1.00 0.00 H new ATOM 1339 N GLU A 87 0.493 -17.646 2.615 1.00 0.00 N ATOM 1340 CA GLU A 87 -0.129 -18.080 1.370 1.00 0.00 C ATOM 1341 C GLU A 87 0.801 -19.006 0.591 1.00 0.00 C ATOM 1342 O GLU A 87 2.022 -18.946 0.738 1.00 0.00 O ATOM 1343 CB GLU A 87 -0.498 -16.870 0.510 1.00 0.00 C ATOM 1344 CG GLU A 87 -1.878 -16.308 0.810 1.00 0.00 C ATOM 1345 CD GLU A 87 -1.989 -15.759 2.219 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -2.004 -16.567 3.171 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -2.061 -14.521 2.370 1.00 0.00 O ATOM 0 H GLU A 87 0.517 -16.635 2.744 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.036 -18.630 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.245 -16.087 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.451 -17.154 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.107 -15.517 0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.624 -17.090 0.669 1.00 0.00 H new ATOM 1354 N LYS A 88 0.215 -19.864 -0.237 1.00 0.00 N ATOM 1355 CA LYS A 88 0.989 -20.804 -1.040 1.00 0.00 C ATOM 1356 C LYS A 88 0.778 -20.549 -2.529 1.00 0.00 C ATOM 1357 O LYS A 88 0.504 -21.473 -3.295 1.00 0.00 O ATOM 1358 CB LYS A 88 0.597 -22.243 -0.697 1.00 0.00 C ATOM 1359 CG LYS A 88 0.128 -22.420 0.737 1.00 0.00 C ATOM 1360 CD LYS A 88 1.281 -22.304 1.719 1.00 0.00 C ATOM 1361 CE LYS A 88 2.078 -23.597 1.800 1.00 0.00 C ATOM 1362 NZ LYS A 88 2.976 -23.769 0.625 1.00 0.00 N ATOM 0 H LYS A 88 -0.794 -19.928 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 88 2.044 -20.657 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.196 -22.566 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.452 -22.896 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.626 -21.668 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.348 -23.394 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.938 -21.489 1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.895 -22.051 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.671 -23.601 2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.393 -24.443 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.899 -24.128 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.552 -24.447 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.106 -22.853 0.150 1.00 0.00 H new ATOM 1376 N LYS A 89 0.908 -19.290 -2.933 1.00 0.00 N ATOM 1377 CA LYS A 89 0.735 -18.913 -4.331 1.00 0.00 C ATOM 1378 C LYS A 89 2.072 -18.911 -5.064 1.00 0.00 C ATOM 1379 O LYS A 89 2.241 -19.598 -6.071 1.00 0.00 O ATOM 1380 CB LYS A 89 0.083 -17.532 -4.431 1.00 0.00 C ATOM 1381 CG LYS A 89 -1.434 -17.577 -4.471 1.00 0.00 C ATOM 1382 CD LYS A 89 -2.019 -17.865 -3.098 1.00 0.00 C ATOM 1383 CE LYS A 89 -3.534 -17.729 -3.098 1.00 0.00 C ATOM 1384 NZ LYS A 89 -4.111 -17.950 -1.743 1.00 0.00 N ATOM 0 H LYS A 89 1.133 -18.513 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 89 0.085 -19.650 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.398 -16.928 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.447 -17.032 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.818 -16.625 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.758 -18.344 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.743 -18.873 -2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.591 -17.178 -2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.809 -16.736 -3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.963 -18.447 -3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.148 -18.000 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.746 -18.842 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.843 -17.162 -1.119 1.00 0.00 H new ATOM 1398 N ALA A 90 3.021 -18.134 -4.551 1.00 0.00 N ATOM 1399 CA ALA A 90 4.345 -18.045 -5.155 1.00 0.00 C ATOM 1400 C ALA A 90 5.224 -19.214 -4.725 1.00 0.00 C ATOM 1401 O ALA A 90 5.667 -19.280 -3.579 1.00 0.00 O ATOM 1402 CB ALA A 90 5.004 -16.723 -4.789 1.00 0.00 C ATOM 0 H ALA A 90 2.897 -17.557 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 90 4.228 -18.092 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.992 -16.670 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.391 -15.898 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.102 -16.653 -3.706 1.00 0.00 H new ATOM 1408 N GLN A 91 5.472 -20.135 -5.651 1.00 0.00 N ATOM 1409 CA GLN A 91 6.297 -21.302 -5.366 1.00 0.00 C ATOM 1410 C GLN A 91 7.702 -20.885 -4.942 1.00 0.00 C ATOM 1411 O GLN A 91 8.402 -21.630 -4.256 1.00 0.00 O ATOM 1412 CB GLN A 91 6.371 -22.213 -6.592 1.00 0.00 C ATOM 1413 CG GLN A 91 5.052 -22.893 -6.925 1.00 0.00 C ATOM 1414 CD GLN A 91 5.096 -23.634 -8.247 1.00 0.00 C ATOM 1415 OE1 GLN A 91 4.579 -23.157 -9.257 1.00 0.00 O ATOM 1416 NE2 GLN A 91 5.715 -24.809 -8.247 1.00 0.00 N ATOM 0 H GLN A 91 5.113 -20.095 -6.605 1.00 0.00 H new ATOM 0 HA GLN A 91 5.836 -21.849 -4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.695 -21.626 -7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.131 -22.976 -6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.797 -23.592 -6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.260 -22.145 -6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.130 -25.167 -7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.776 -25.354 -9.107 1.00 0.00 H new ATOM 1425 N LYS A 92 8.109 -19.690 -5.356 1.00 0.00 N ATOM 1426 CA LYS A 92 9.430 -19.172 -5.020 1.00 0.00 C ATOM 1427 C LYS A 92 9.345 -17.717 -4.570 1.00 0.00 C ATOM 1428 O LYS A 92 9.494 -16.787 -5.364 1.00 0.00 O ATOM 1429 CB LYS A 92 10.369 -19.292 -6.222 1.00 0.00 C ATOM 1430 CG LYS A 92 9.823 -18.650 -7.486 1.00 0.00 C ATOM 1431 CD LYS A 92 10.614 -19.074 -8.713 1.00 0.00 C ATOM 1432 CE LYS A 92 10.050 -20.346 -9.327 1.00 0.00 C ATOM 1433 NZ LYS A 92 10.894 -20.841 -10.449 1.00 0.00 N ATOM 0 H LYS A 92 7.542 -19.061 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 92 9.827 -19.766 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.325 -18.830 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.565 -20.347 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.776 -18.927 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.856 -17.565 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.598 -18.273 -9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.657 -19.233 -8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.976 -21.117 -8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.039 -20.158 -9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.476 -21.709 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.944 -20.115 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.852 -21.045 -10.099 1.00 0.00 H new ATOM 1447 N PRO A 93 9.103 -17.512 -3.267 1.00 0.00 N ATOM 1448 CA PRO A 93 8.996 -16.172 -2.683 1.00 0.00 C ATOM 1449 C PRO A 93 10.336 -15.446 -2.648 1.00 0.00 C ATOM 1450 O PRO A 93 11.336 -15.989 -2.177 1.00 0.00 O ATOM 1451 CB PRO A 93 8.498 -16.444 -1.261 1.00 0.00 C ATOM 1452 CG PRO A 93 8.956 -17.829 -0.957 1.00 0.00 C ATOM 1453 CD PRO A 93 8.916 -18.573 -2.263 1.00 0.00 C ATOM 0 HA PRO A 93 8.338 -15.526 -3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 93 8.911 -15.726 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.413 -16.364 -1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.963 -17.825 -0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.308 -18.301 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.703 -19.325 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.968 -19.093 -2.400 1.00 0.00 H new ATOM 1461 N VAL A 94 10.350 -14.215 -3.149 1.00 0.00 N ATOM 1462 CA VAL A 94 11.568 -13.413 -3.174 1.00 0.00 C ATOM 1463 C VAL A 94 12.127 -13.220 -1.769 1.00 0.00 C ATOM 1464 O VAL A 94 11.828 -12.231 -1.099 1.00 0.00 O ATOM 1465 CB VAL A 94 11.318 -12.032 -3.809 1.00 0.00 C ATOM 1466 CG1 VAL A 94 12.597 -11.210 -3.820 1.00 0.00 C ATOM 1467 CG2 VAL A 94 10.762 -12.187 -5.217 1.00 0.00 C ATOM 0 H VAL A 94 9.532 -13.751 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 94 12.293 -13.957 -3.779 1.00 0.00 H new ATOM 0 HB VAL A 94 10.580 -11.502 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.401 -10.238 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.949 -11.070 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.360 -11.732 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.591 -11.202 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.476 -12.736 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.820 -12.735 -5.178 1.00 0.00 H new ATOM 1477 N LYS A 95 12.942 -14.172 -1.326 1.00 0.00 N ATOM 1478 CA LYS A 95 13.546 -14.107 -0.001 1.00 0.00 C ATOM 1479 C LYS A 95 14.789 -14.988 0.074 1.00 0.00 C ATOM 1480 O LYS A 95 14.973 -15.888 -0.745 1.00 0.00 O ATOM 1481 CB LYS A 95 12.537 -14.541 1.064 1.00 0.00 C ATOM 1482 CG LYS A 95 11.708 -13.395 1.618 1.00 0.00 C ATOM 1483 CD LYS A 95 11.152 -13.723 2.994 1.00 0.00 C ATOM 1484 CE LYS A 95 9.849 -14.502 2.897 1.00 0.00 C ATOM 1485 NZ LYS A 95 9.243 -14.736 4.237 1.00 0.00 N ATOM 0 H LYS A 95 13.199 -14.998 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 95 13.841 -13.074 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.869 -15.288 0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.071 -15.022 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 95 12.322 -12.496 1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 95 10.887 -13.176 0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 95 11.884 -14.305 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.985 -12.800 3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.145 -13.955 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.033 -15.459 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.082 -15.755 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.887 -14.386 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.336 -14.231 4.301 1.00 0.00 H new ATOM 1499 N GLU A 96 15.639 -14.723 1.061 1.00 0.00 N ATOM 1500 CA GLU A 96 16.864 -15.494 1.242 1.00 0.00 C ATOM 1501 C GLU A 96 16.804 -16.318 2.525 1.00 0.00 C ATOM 1502 O GLU A 96 16.896 -15.779 3.627 1.00 0.00 O ATOM 1503 CB GLU A 96 18.077 -14.563 1.277 1.00 0.00 C ATOM 1504 CG GLU A 96 18.021 -13.531 2.391 1.00 0.00 C ATOM 1505 CD GLU A 96 18.956 -12.361 2.151 1.00 0.00 C ATOM 1506 OE1 GLU A 96 20.187 -12.562 2.217 1.00 0.00 O ATOM 1507 OE2 GLU A 96 18.456 -11.245 1.896 1.00 0.00 O ATOM 0 H GLU A 96 15.502 -13.981 1.747 1.00 0.00 H new ATOM 0 HA GLU A 96 16.962 -16.176 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 96 18.980 -15.162 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 96 18.157 -14.048 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 96 17.000 -13.161 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 96 18.278 -14.008 3.337 1.00 0.00 H new ATOM 1514 N GLY A 97 16.648 -17.630 2.372 1.00 0.00 N ATOM 1515 CA GLY A 97 16.578 -18.508 3.525 1.00 0.00 C ATOM 1516 C GLY A 97 16.663 -19.973 3.144 1.00 0.00 C ATOM 1517 O GLY A 97 16.712 -20.311 1.962 1.00 0.00 O ATOM 0 H GLY A 97 16.569 -18.100 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.390 -18.267 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.645 -18.328 4.059 1.00 0.00 H new ATOM 1521 N GLN A 98 16.682 -20.843 4.148 1.00 0.00 N ATOM 1522 CA GLN A 98 16.765 -22.280 3.912 1.00 0.00 C ATOM 1523 C GLN A 98 15.438 -22.961 4.233 1.00 0.00 C ATOM 1524 O GLN A 98 15.253 -23.542 5.302 1.00 0.00 O ATOM 1525 CB GLN A 98 17.884 -22.893 4.755 1.00 0.00 C ATOM 1526 CG GLN A 98 18.037 -24.394 4.563 1.00 0.00 C ATOM 1527 CD GLN A 98 18.668 -24.750 3.231 1.00 0.00 C ATOM 1528 OE1 GLN A 98 19.711 -24.209 2.861 1.00 0.00 O ATOM 1529 NE2 GLN A 98 18.038 -25.664 2.503 1.00 0.00 N ATOM 0 H GLN A 98 16.641 -20.579 5.132 1.00 0.00 H new ATOM 0 HA GLN A 98 16.988 -22.438 2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 98 18.826 -22.405 4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 98 17.689 -22.688 5.808 1.00 0.00 H new ATOM 0 HG2 GLN A 98 18.647 -24.799 5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.058 -24.867 4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.176 -26.086 2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.416 -25.944 1.598 1.00 0.00 H new ATOM 1538 N PRO A 99 14.492 -22.890 3.285 1.00 0.00 N ATOM 1539 CA PRO A 99 13.166 -23.494 3.444 1.00 0.00 C ATOM 1540 C PRO A 99 13.216 -25.018 3.416 1.00 0.00 C ATOM 1541 O PRO A 99 14.292 -25.611 3.345 1.00 0.00 O ATOM 1542 CB PRO A 99 12.387 -22.963 2.237 1.00 0.00 C ATOM 1543 CG PRO A 99 13.430 -22.660 1.217 1.00 0.00 C ATOM 1544 CD PRO A 99 14.643 -22.214 1.986 1.00 0.00 C ATOM 0 HA PRO A 99 12.716 -23.242 4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.676 -23.702 1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.815 -22.072 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 99 13.652 -23.540 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.093 -21.881 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.566 -22.507 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.671 -21.130 2.098 1.00 0.00 H new ATOM 1552 N SER A 100 12.046 -25.645 3.473 1.00 0.00 N ATOM 1553 CA SER A 100 11.957 -27.101 3.458 1.00 0.00 C ATOM 1554 C SER A 100 10.772 -27.564 2.617 1.00 0.00 C ATOM 1555 O SER A 100 9.732 -26.909 2.550 1.00 0.00 O ATOM 1556 CB SER A 100 11.827 -27.640 4.884 1.00 0.00 C ATOM 1557 OG SER A 100 12.989 -27.355 5.645 1.00 0.00 O ATOM 0 H SER A 100 11.146 -25.168 3.530 1.00 0.00 H new ATOM 0 HA SER A 100 12.871 -27.492 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 100 10.955 -27.197 5.366 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.662 -28.717 4.855 1.00 0.00 H new ATOM 0 HG SER A 100 12.880 -27.708 6.553 1.00 0.00 H new ATOM 1563 N PRO A 101 10.931 -28.722 1.959 1.00 0.00 N ATOM 1564 CA PRO A 101 9.885 -29.301 1.110 1.00 0.00 C ATOM 1565 C PRO A 101 8.698 -29.811 1.920 1.00 0.00 C ATOM 1566 O PRO A 101 8.651 -30.981 2.301 1.00 0.00 O ATOM 1567 CB PRO A 101 10.596 -30.463 0.413 1.00 0.00 C ATOM 1568 CG PRO A 101 11.707 -30.835 1.335 1.00 0.00 C ATOM 1569 CD PRO A 101 12.144 -29.556 1.993 1.00 0.00 C ATOM 0 HA PRO A 101 9.465 -28.567 0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.919 -31.301 0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.975 -30.166 -0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 101 11.373 -31.561 2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 101 12.531 -31.294 0.788 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.486 -29.726 3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 101 12.968 -29.088 1.454 1.00 0.00 H new ATOM 1577 N ALA A 102 7.741 -28.927 2.180 1.00 0.00 N ATOM 1578 CA ALA A 102 6.552 -29.289 2.942 1.00 0.00 C ATOM 1579 C ALA A 102 5.536 -28.152 2.948 1.00 0.00 C ATOM 1580 O ALA A 102 5.888 -26.992 2.736 1.00 0.00 O ATOM 1581 CB ALA A 102 6.934 -29.667 4.366 1.00 0.00 C ATOM 0 H ALA A 102 7.766 -27.954 1.874 1.00 0.00 H new ATOM 0 HA ALA A 102 6.090 -30.151 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.037 -29.935 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.617 -30.516 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.422 -28.820 4.849 1.00 0.00 H new ATOM 1587 N ASP A 103 4.276 -28.493 3.193 1.00 0.00 N ATOM 1588 CA ASP A 103 3.208 -27.500 3.227 1.00 0.00 C ATOM 1589 C ASP A 103 1.915 -28.111 3.756 1.00 0.00 C ATOM 1590 O ASP A 103 1.491 -29.175 3.306 1.00 0.00 O ATOM 1591 CB ASP A 103 2.979 -26.919 1.831 1.00 0.00 C ATOM 1592 CG ASP A 103 2.908 -27.991 0.762 1.00 0.00 C ATOM 1593 OD1 ASP A 103 2.313 -29.056 1.027 1.00 0.00 O ATOM 1594 OD2 ASP A 103 3.448 -27.765 -0.341 1.00 0.00 O ATOM 0 H ASP A 103 3.969 -29.449 3.371 1.00 0.00 H new ATOM 0 HA ASP A 103 3.511 -26.698 3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.053 -26.345 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.785 -26.225 1.593 1.00 0.00 H new ATOM 1599 N GLU A 104 1.293 -27.431 4.714 1.00 0.00 N ATOM 1600 CA GLU A 104 0.049 -27.909 5.305 1.00 0.00 C ATOM 1601 C GLU A 104 -1.154 -27.198 4.691 1.00 0.00 C ATOM 1602 O GLU A 104 -1.071 -26.030 4.308 1.00 0.00 O ATOM 1603 CB GLU A 104 0.062 -27.695 6.820 1.00 0.00 C ATOM 1604 CG GLU A 104 0.207 -26.238 7.228 1.00 0.00 C ATOM 1605 CD GLU A 104 0.038 -26.030 8.720 1.00 0.00 C ATOM 1606 OE1 GLU A 104 -1.113 -25.835 9.165 1.00 0.00 O ATOM 1607 OE2 GLU A 104 1.056 -26.063 9.443 1.00 0.00 O ATOM 0 H GLU A 104 1.630 -26.548 5.097 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.035 -28.976 5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.861 -28.092 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.882 -28.268 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.189 -25.875 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.533 -25.640 6.696 1.00 0.00 H new ATOM 1614 N LYS A 105 -2.272 -27.910 4.599 1.00 0.00 N ATOM 1615 CA LYS A 105 -3.493 -27.349 4.033 1.00 0.00 C ATOM 1616 C LYS A 105 -4.279 -26.579 5.089 1.00 0.00 C ATOM 1617 O LYS A 105 -4.652 -25.426 4.880 1.00 0.00 O ATOM 1618 CB LYS A 105 -4.364 -28.461 3.444 1.00 0.00 C ATOM 1619 CG LYS A 105 -5.225 -28.007 2.278 1.00 0.00 C ATOM 1620 CD LYS A 105 -6.541 -27.415 2.755 1.00 0.00 C ATOM 1621 CE LYS A 105 -7.115 -26.441 1.737 1.00 0.00 C ATOM 1622 NZ LYS A 105 -8.327 -25.748 2.255 1.00 0.00 N ATOM 0 H LYS A 105 -2.358 -28.878 4.910 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.211 -26.657 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.722 -29.278 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.009 -28.859 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.683 -27.266 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.423 -28.853 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.257 -28.216 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.388 -26.902 3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.358 -25.702 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.367 -26.978 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.688 -25.093 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.059 -26.451 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.082 -25.215 3.114 1.00 0.00 H new ATOM 1636 N GLY A 106 -4.525 -27.225 6.225 1.00 0.00 N ATOM 1637 CA GLY A 106 -5.264 -26.584 7.297 1.00 0.00 C ATOM 1638 C GLY A 106 -6.648 -26.141 6.863 1.00 0.00 C ATOM 1639 O GLY A 106 -7.236 -26.723 5.953 1.00 0.00 O ATOM 0 H GLY A 106 -4.226 -28.180 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.353 -27.274 8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.704 -25.719 7.654 1.00 0.00 H new ATOM 1643 N ASN A 107 -7.169 -25.109 7.518 1.00 0.00 N ATOM 1644 CA ASN A 107 -8.494 -24.590 7.197 1.00 0.00 C ATOM 1645 C ASN A 107 -8.629 -23.135 7.634 1.00 0.00 C ATOM 1646 O ASN A 107 -7.826 -22.636 8.423 1.00 0.00 O ATOM 1647 CB ASN A 107 -9.574 -25.439 7.870 1.00 0.00 C ATOM 1648 CG ASN A 107 -9.812 -26.751 7.147 1.00 0.00 C ATOM 1649 OD1 ASN A 107 -9.180 -27.763 7.451 1.00 0.00 O ATOM 1650 ND2 ASN A 107 -10.727 -26.739 6.185 1.00 0.00 N ATOM 0 H ASN A 107 -6.694 -24.615 8.274 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.624 -24.639 6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.283 -25.643 8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.505 -24.874 7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.930 -27.592 5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.227 -25.877 5.967 1.00 0.00 H new ATOM 1657 N ASP A 108 -9.650 -22.460 7.117 1.00 0.00 N ATOM 1658 CA ASP A 108 -9.892 -21.062 7.456 1.00 0.00 C ATOM 1659 C ASP A 108 -11.340 -20.850 7.886 1.00 0.00 C ATOM 1660 O ASP A 108 -12.254 -20.884 7.062 1.00 0.00 O ATOM 1661 CB ASP A 108 -9.564 -20.162 6.263 1.00 0.00 C ATOM 1662 CG ASP A 108 -10.307 -20.573 5.007 1.00 0.00 C ATOM 1663 OD1 ASP A 108 -10.051 -21.687 4.504 1.00 0.00 O ATOM 1664 OD2 ASP A 108 -11.144 -19.780 4.526 1.00 0.00 O ATOM 0 H ASP A 108 -10.323 -22.858 6.462 1.00 0.00 H new ATOM 0 HA ASP A 108 -9.242 -20.798 8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.816 -19.131 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.491 -20.192 6.073 1.00 0.00 H new ATOM 1669 N SER A 109 -11.541 -20.633 9.182 1.00 0.00 N ATOM 1670 CA SER A 109 -12.879 -20.420 9.722 1.00 0.00 C ATOM 1671 C SER A 109 -13.588 -19.287 8.987 1.00 0.00 C ATOM 1672 O SER A 109 -13.379 -18.111 9.286 1.00 0.00 O ATOM 1673 CB SER A 109 -12.803 -20.105 11.217 1.00 0.00 C ATOM 1674 OG SER A 109 -12.057 -18.923 11.452 1.00 0.00 O ATOM 0 H SER A 109 -10.795 -20.600 9.877 1.00 0.00 H new ATOM 0 HA SER A 109 -13.452 -21.336 9.579 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.810 -19.989 11.619 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.343 -20.940 11.745 1.00 0.00 H new ATOM 0 HG SER A 109 -12.300 -18.245 10.788 1.00 0.00 H new ATOM 1680 N ASP A 110 -14.428 -19.650 8.024 1.00 0.00 N ATOM 1681 CA ASP A 110 -15.170 -18.665 7.245 1.00 0.00 C ATOM 1682 C ASP A 110 -16.507 -19.235 6.782 1.00 0.00 C ATOM 1683 O ASP A 110 -16.730 -20.443 6.833 1.00 0.00 O ATOM 1684 CB ASP A 110 -14.348 -18.214 6.037 1.00 0.00 C ATOM 1685 CG ASP A 110 -14.685 -16.802 5.602 1.00 0.00 C ATOM 1686 OD1 ASP A 110 -14.409 -15.860 6.375 1.00 0.00 O ATOM 1687 OD2 ASP A 110 -15.225 -16.638 4.488 1.00 0.00 O ATOM 0 H ASP A 110 -14.612 -20.619 7.764 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.364 -17.804 7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -13.287 -18.272 6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.522 -18.898 5.207 1.00 0.00 H new ATOM 1692 N GLY A 111 -17.396 -18.354 6.331 1.00 0.00 N ATOM 1693 CA GLY A 111 -18.700 -18.788 5.867 1.00 0.00 C ATOM 1694 C GLY A 111 -19.779 -17.752 6.118 1.00 0.00 C ATOM 1695 O GLY A 111 -20.405 -17.259 5.180 1.00 0.00 O ATOM 0 H GLY A 111 -17.236 -17.348 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.649 -19.004 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.970 -19.718 6.368 1.00 0.00 H new ATOM 1699 N SER A 112 -19.997 -17.423 7.387 1.00 0.00 N ATOM 1700 CA SER A 112 -21.011 -16.443 7.759 1.00 0.00 C ATOM 1701 C SER A 112 -20.932 -15.212 6.861 1.00 0.00 C ATOM 1702 O SER A 112 -19.846 -14.730 6.544 1.00 0.00 O ATOM 1703 CB SER A 112 -20.841 -16.032 9.223 1.00 0.00 C ATOM 1704 OG SER A 112 -19.636 -15.312 9.414 1.00 0.00 O ATOM 0 H SER A 112 -19.485 -17.820 8.175 1.00 0.00 H new ATOM 0 HA SER A 112 -21.990 -16.903 7.630 1.00 0.00 H new ATOM 0 HB2 SER A 112 -21.687 -15.419 9.532 1.00 0.00 H new ATOM 0 HB3 SER A 112 -20.842 -16.920 9.856 1.00 0.00 H new ATOM 0 HG SER A 112 -19.552 -15.059 10.357 1.00 0.00 H new ATOM 1710 N GLY A 113 -22.093 -14.708 6.455 1.00 0.00 N ATOM 1711 CA GLY A 113 -22.135 -13.538 5.598 1.00 0.00 C ATOM 1712 C GLY A 113 -23.546 -13.028 5.380 1.00 0.00 C ATOM 1713 O GLY A 113 -24.457 -13.306 6.161 1.00 0.00 O ATOM 0 H GLY A 113 -23.006 -15.089 6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -21.530 -12.746 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -21.687 -13.781 4.634 1.00 0.00 H new ATOM 1717 N PRO A 114 -23.742 -12.262 4.297 1.00 0.00 N ATOM 1718 CA PRO A 114 -25.050 -11.696 3.954 1.00 0.00 C ATOM 1719 C PRO A 114 -26.043 -12.761 3.501 1.00 0.00 C ATOM 1720 O PRO A 114 -25.801 -13.474 2.527 1.00 0.00 O ATOM 1721 CB PRO A 114 -24.732 -10.738 2.803 1.00 0.00 C ATOM 1722 CG PRO A 114 -23.486 -11.281 2.193 1.00 0.00 C ATOM 1723 CD PRO A 114 -22.703 -11.890 3.323 1.00 0.00 C ATOM 0 HA PRO A 114 -25.522 -11.214 4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -25.546 -10.705 2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -24.585 -9.720 3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -23.717 -12.026 1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -22.915 -10.492 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -22.132 -12.758 2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -21.991 -11.181 3.746 1.00 0.00 H new ATOM 1731 N SER A 115 -27.160 -12.864 4.214 1.00 0.00 N ATOM 1732 CA SER A 115 -28.188 -13.845 3.887 1.00 0.00 C ATOM 1733 C SER A 115 -29.582 -13.272 4.126 1.00 0.00 C ATOM 1734 O SER A 115 -29.729 -12.135 4.573 1.00 0.00 O ATOM 1735 CB SER A 115 -27.995 -15.114 4.719 1.00 0.00 C ATOM 1736 OG SER A 115 -28.511 -16.249 4.046 1.00 0.00 O ATOM 0 H SER A 115 -27.376 -12.280 5.022 1.00 0.00 H new ATOM 0 HA SER A 115 -28.094 -14.095 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 115 -26.935 -15.260 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 115 -28.493 -15.001 5.682 1.00 0.00 H new ATOM 0 HG SER A 115 -28.374 -17.047 4.598 1.00 0.00 H new ATOM 1742 N SER A 116 -30.602 -14.070 3.826 1.00 0.00 N ATOM 1743 CA SER A 116 -31.984 -13.642 4.005 1.00 0.00 C ATOM 1744 C SER A 116 -32.160 -12.184 3.592 1.00 0.00 C ATOM 1745 O SER A 116 -32.847 -11.415 4.263 1.00 0.00 O ATOM 1746 CB SER A 116 -32.413 -13.827 5.462 1.00 0.00 C ATOM 1747 OG SER A 116 -31.867 -12.812 6.287 1.00 0.00 O ATOM 0 H SER A 116 -30.497 -15.016 3.458 1.00 0.00 H new ATOM 0 HA SER A 116 -32.615 -14.260 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 116 -33.501 -13.809 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 116 -32.088 -14.804 5.819 1.00 0.00 H new ATOM 0 HG SER A 116 -32.225 -11.941 6.015 1.00 0.00 H new ATOM 1753 N GLY A 117 -31.532 -11.810 2.482 1.00 0.00 N ATOM 1754 CA GLY A 117 -31.630 -10.445 1.997 1.00 0.00 C ATOM 1755 C GLY A 117 -30.522 -10.094 1.024 1.00 0.00 C ATOM 1756 O GLY A 117 -30.338 -8.928 0.677 1.00 0.00 O ATOM 0 H GLY A 117 -30.957 -12.428 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -32.595 -10.304 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -31.597 -9.759 2.843 1.00 0.00 H new TER 1760 GLY A 117