USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 853 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 21 THR OG1 : rot 180:sc= 0.0133 USER MOD Set 1.2: A 45 GLN : amide:sc= -0.148 K(o=-0.13,f=-0.73) USER MOD Set 2.1: A 10 ASN : amide:sc= -1.06 K(o=-2.1,f=-3.4!) USER MOD Set 2.2: A 13 GLN : amide:sc= -1.03 K(o=-2.1,f=-9.8!) USER MOD Single : A 1 CYS N :NH3+ 161:sc= 0.37 (180deg=-0.125) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.198 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -40:sc= -1.68! USER MOD Single : A 8 THR OG1 : rot -63:sc= 0.543 USER MOD Single : A 11 TYR OH : rot 120:sc= 0.0761 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -64:sc= -0.916 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.4!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.109 F(o=-2.7!,f=-0.11) USER MOD Single : A 39 GLN : amide:sc= -0.762 X(o=-0.76,f=-0.47) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.969 K(o=-0.97,f=-2.3!) USER MOD Single : A 49 TYR OH : rot -102:sc= 0.433 USER MOD Single : A 51 SER OG : rot -69:sc= -0.117 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.262 (180deg=-1.06) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 107:sc= 1.12 USER MOD Single : A 67 THR OG1 : rot -65:sc= 0.028! USER MOD Single : A 68 MET CE :methyl 179:sc= 0 (180deg=-0.000553) USER MOD Single : A 69 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 70 THR OG1 : rot 53:sc= -0.539 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 64:sc= -1.41 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 179:sc= -0.562 USER MOD Single : A 81 SER OG : rot 47:sc= 0.0444 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= -0.0345 (180deg=-0.427) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.014) USER MOD Single : A 100 THR OG1 : rot 49:sc= 0.288 USER MOD Single : A 101 GLN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 75.765 12.447 7.623 1.00 0.00 N ATOM 2 CA CYS A 1 75.367 11.212 8.354 1.00 0.00 C ATOM 3 C CYS A 1 76.395 10.117 8.097 1.00 0.00 C ATOM 4 O CYS A 1 76.101 8.929 8.237 1.00 0.00 O ATOM 5 CB CYS A 1 73.987 10.757 7.869 1.00 0.00 C ATOM 6 SG CYS A 1 72.804 12.112 8.060 1.00 0.00 S ATOM 0 H1 CYS A 1 74.940 13.073 7.525 1.00 0.00 H new ATOM 0 H2 CYS A 1 76.512 12.939 8.154 1.00 0.00 H new ATOM 0 H3 CYS A 1 76.121 12.192 6.680 1.00 0.00 H new ATOM 0 HA CYS A 1 75.322 11.416 9.424 1.00 0.00 H new ATOM 0 HB2 CYS A 1 74.040 10.451 6.824 1.00 0.00 H new ATOM 0 HB3 CYS A 1 73.657 9.889 8.440 1.00 0.00 H new ATOM 0 HG CYS A 1 71.633 11.727 7.646 1.00 0.00 H new ATOM 14 N ASP A 2 77.603 10.523 7.720 1.00 0.00 N ATOM 15 CA ASP A 2 78.669 9.565 7.445 1.00 0.00 C ATOM 16 C ASP A 2 79.278 9.055 8.747 1.00 0.00 C ATOM 17 O ASP A 2 80.494 9.102 8.936 1.00 0.00 O ATOM 18 CB ASP A 2 79.756 10.221 6.592 1.00 0.00 C ATOM 19 CG ASP A 2 80.287 11.468 7.290 1.00 0.00 C ATOM 20 OD1 ASP A 2 81.089 11.319 8.197 1.00 0.00 O ATOM 21 OD2 ASP A 2 79.884 12.554 6.907 1.00 0.00 O ATOM 0 H ASP A 2 77.868 11.501 7.598 1.00 0.00 H new ATOM 0 HA ASP A 2 78.243 8.722 6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 2 80.570 9.516 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 2 79.352 10.486 5.615 1.00 0.00 H new ATOM 26 N SER A 3 78.426 8.567 9.641 1.00 0.00 N ATOM 27 CA SER A 3 78.889 8.048 10.923 1.00 0.00 C ATOM 28 C SER A 3 77.820 7.167 11.560 1.00 0.00 C ATOM 29 O SER A 3 76.726 7.632 11.878 1.00 0.00 O ATOM 30 CB SER A 3 79.228 9.206 11.863 1.00 0.00 C ATOM 31 OG SER A 3 78.478 10.353 11.485 1.00 0.00 O ATOM 0 H SER A 3 77.416 8.520 9.503 1.00 0.00 H new ATOM 0 HA SER A 3 79.783 7.448 10.751 1.00 0.00 H new ATOM 0 HB2 SER A 3 79.000 8.932 12.893 1.00 0.00 H new ATOM 0 HB3 SER A 3 80.295 9.424 11.819 1.00 0.00 H new ATOM 0 HG SER A 3 78.692 11.096 12.087 1.00 0.00 H new ATOM 37 N GLY A 4 78.143 5.890 11.739 1.00 0.00 N ATOM 38 CA GLY A 4 77.200 4.949 12.335 1.00 0.00 C ATOM 39 C GLY A 4 76.222 4.426 11.288 1.00 0.00 C ATOM 40 O GLY A 4 76.042 5.038 10.236 1.00 0.00 O ATOM 0 H GLY A 4 79.043 5.485 11.482 1.00 0.00 H new ATOM 0 HA2 GLY A 4 77.743 4.115 12.780 1.00 0.00 H new ATOM 0 HA3 GLY A 4 76.651 5.438 13.140 1.00 0.00 H new ATOM 44 N THR A 5 75.594 3.290 11.582 1.00 0.00 N ATOM 45 CA THR A 5 74.638 2.697 10.654 1.00 0.00 C ATOM 46 C THR A 5 73.891 1.540 11.309 1.00 0.00 C ATOM 47 O THR A 5 73.491 1.619 12.471 1.00 0.00 O ATOM 48 CB THR A 5 75.366 2.181 9.409 1.00 0.00 C ATOM 49 OG1 THR A 5 76.386 3.100 9.042 1.00 0.00 O ATOM 50 CG2 THR A 5 74.371 2.032 8.256 1.00 0.00 C ATOM 0 H THR A 5 75.729 2.767 12.447 1.00 0.00 H new ATOM 0 HA THR A 5 73.921 3.468 10.371 1.00 0.00 H new ATOM 0 HB THR A 5 75.812 1.211 9.627 1.00 0.00 H new ATOM 0 HG1 THR A 5 76.060 4.016 9.164 1.00 0.00 H new ATOM 0 HG21 THR A 5 74.891 1.665 7.371 1.00 0.00 H new ATOM 0 HG22 THR A 5 73.591 1.325 8.538 1.00 0.00 H new ATOM 0 HG23 THR A 5 73.921 3.000 8.036 1.00 0.00 H new ATOM 58 N GLY A 6 73.709 0.466 10.548 1.00 0.00 N ATOM 59 CA GLY A 6 73.012 -0.715 11.043 1.00 0.00 C ATOM 60 C GLY A 6 73.239 -1.893 10.104 1.00 0.00 C ATOM 61 O GLY A 6 72.299 -2.410 9.499 1.00 0.00 O ATOM 0 H GLY A 6 74.035 0.389 9.585 1.00 0.00 H new ATOM 0 HA2 GLY A 6 73.368 -0.964 12.043 1.00 0.00 H new ATOM 0 HA3 GLY A 6 71.945 -0.508 11.127 1.00 0.00 H new ATOM 65 N LEU A 7 74.495 -2.302 9.981 1.00 0.00 N ATOM 66 CA LEU A 7 74.850 -3.414 9.106 1.00 0.00 C ATOM 67 C LEU A 7 74.274 -4.722 9.639 1.00 0.00 C ATOM 68 O LEU A 7 73.068 -4.951 9.569 1.00 0.00 O ATOM 69 CB LEU A 7 76.371 -3.524 8.998 1.00 0.00 C ATOM 70 CG LEU A 7 76.896 -2.438 8.054 1.00 0.00 C ATOM 71 CD1 LEU A 7 76.464 -2.737 6.615 1.00 0.00 C ATOM 72 CD2 LEU A 7 76.332 -1.081 8.477 1.00 0.00 C ATOM 0 H LEU A 7 75.283 -1.883 10.474 1.00 0.00 H new ATOM 0 HA LEU A 7 74.430 -3.226 8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 7 76.825 -3.415 9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 7 76.649 -4.510 8.626 1.00 0.00 H new ATOM 0 HG LEU A 7 77.985 -2.420 8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 7 76.843 -1.959 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 7 76.866 -3.702 6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 7 75.376 -2.763 6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 7 76.705 -0.307 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 7 75.243 -1.109 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 7 76.645 -0.859 9.497 1.00 0.00 H new ATOM 84 N THR A 8 75.149 -5.570 10.174 1.00 0.00 N ATOM 85 CA THR A 8 74.728 -6.858 10.721 1.00 0.00 C ATOM 86 C THR A 8 75.946 -7.740 10.991 1.00 0.00 C ATOM 87 O THR A 8 75.877 -8.963 10.880 1.00 0.00 O ATOM 88 CB THR A 8 73.783 -7.564 9.740 1.00 0.00 C ATOM 89 OG1 THR A 8 73.779 -8.960 10.005 1.00 0.00 O ATOM 90 CG2 THR A 8 74.255 -7.316 8.307 1.00 0.00 C ATOM 0 H THR A 8 76.151 -5.390 10.241 1.00 0.00 H new ATOM 0 HA THR A 8 74.202 -6.683 11.659 1.00 0.00 H new ATOM 0 HB THR A 8 72.774 -7.170 9.862 1.00 0.00 H new ATOM 0 HG1 THR A 8 74.675 -9.325 9.850 1.00 0.00 H new ATOM 0 HG21 THR A 8 73.583 -7.818 7.611 1.00 0.00 H new ATOM 0 HG22 THR A 8 74.254 -6.245 8.104 1.00 0.00 H new ATOM 0 HG23 THR A 8 75.265 -7.708 8.183 1.00 0.00 H new ATOM 98 N GLY A 9 77.060 -7.107 11.352 1.00 0.00 N ATOM 99 CA GLY A 9 78.292 -7.838 11.639 1.00 0.00 C ATOM 100 C GLY A 9 78.407 -9.088 10.772 1.00 0.00 C ATOM 101 O GLY A 9 78.986 -10.092 11.188 1.00 0.00 O ATOM 0 H GLY A 9 77.135 -6.095 11.452 1.00 0.00 H new ATOM 0 HA2 GLY A 9 79.151 -7.191 11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 9 78.314 -8.119 12.692 1.00 0.00 H new ATOM 105 N ASN A 10 77.851 -9.022 9.566 1.00 0.00 N ATOM 106 CA ASN A 10 77.896 -10.158 8.650 1.00 0.00 C ATOM 107 C ASN A 10 79.332 -10.469 8.241 1.00 0.00 C ATOM 108 O ASN A 10 80.282 -9.968 8.842 1.00 0.00 O ATOM 109 CB ASN A 10 77.062 -9.857 7.404 1.00 0.00 C ATOM 110 CG ASN A 10 75.965 -10.906 7.248 1.00 0.00 C ATOM 111 OD1 ASN A 10 76.193 -12.087 7.509 1.00 0.00 O ATOM 112 ND2 ASN A 10 74.780 -10.543 6.835 1.00 0.00 N ATOM 0 H ASN A 10 77.368 -8.201 9.202 1.00 0.00 H new ATOM 0 HA ASN A 10 77.484 -11.027 9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 10 76.619 -8.864 7.483 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.701 -9.852 6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 10 74.042 -11.239 6.728 1.00 0.00 H new ATOM 0 HD22 ASN A 10 74.593 -9.564 6.619 1.00 0.00 H new ATOM 119 N TYR A 11 79.483 -11.305 7.216 1.00 0.00 N ATOM 120 CA TYR A 11 80.809 -11.681 6.737 1.00 0.00 C ATOM 121 C TYR A 11 80.906 -11.515 5.221 1.00 0.00 C ATOM 122 O TYR A 11 80.734 -10.414 4.696 1.00 0.00 O ATOM 123 CB TYR A 11 81.104 -13.134 7.116 1.00 0.00 C ATOM 124 CG TYR A 11 80.913 -13.317 8.602 1.00 0.00 C ATOM 125 CD1 TYR A 11 79.641 -13.602 9.115 1.00 0.00 C ATOM 126 CD2 TYR A 11 82.006 -13.202 9.468 1.00 0.00 C ATOM 127 CE1 TYR A 11 79.464 -13.773 10.492 1.00 0.00 C ATOM 128 CE2 TYR A 11 81.830 -13.373 10.846 1.00 0.00 C ATOM 129 CZ TYR A 11 80.558 -13.658 11.359 1.00 0.00 C ATOM 130 OH TYR A 11 80.383 -13.825 12.718 1.00 0.00 O ATOM 0 H TYR A 11 78.710 -11.731 6.705 1.00 0.00 H new ATOM 0 HA TYR A 11 81.543 -11.025 7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 11 80.442 -13.805 6.568 1.00 0.00 H new ATOM 0 HB3 TYR A 11 82.125 -13.394 6.835 1.00 0.00 H new ATOM 0 HD1 TYR A 11 78.797 -13.690 8.447 1.00 0.00 H new ATOM 0 HD2 TYR A 11 82.986 -12.981 9.073 1.00 0.00 H new ATOM 0 HE1 TYR A 11 78.483 -13.994 10.887 1.00 0.00 H new ATOM 0 HE2 TYR A 11 82.674 -13.285 11.513 1.00 0.00 H new ATOM 0 HH TYR A 11 80.935 -14.572 13.030 1.00 0.00 H new ATOM 140 N SER A 12 81.184 -12.613 4.523 1.00 0.00 N ATOM 141 CA SER A 12 81.302 -12.576 3.069 1.00 0.00 C ATOM 142 C SER A 12 80.067 -11.938 2.445 1.00 0.00 C ATOM 143 O SER A 12 80.101 -11.493 1.299 1.00 0.00 O ATOM 144 CB SER A 12 81.471 -13.995 2.526 1.00 0.00 C ATOM 145 OG SER A 12 81.783 -13.932 1.141 1.00 0.00 O ATOM 0 H SER A 12 81.331 -13.533 4.938 1.00 0.00 H new ATOM 0 HA SER A 12 82.175 -11.978 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 12 82.264 -14.512 3.066 1.00 0.00 H new ATOM 0 HB3 SER A 12 80.556 -14.567 2.679 1.00 0.00 H new ATOM 0 HG SER A 12 81.894 -14.840 0.789 1.00 0.00 H new ATOM 151 N GLN A 13 78.974 -11.905 3.201 1.00 0.00 N ATOM 152 CA GLN A 13 77.731 -11.330 2.709 1.00 0.00 C ATOM 153 C GLN A 13 77.796 -9.804 2.696 1.00 0.00 C ATOM 154 O GLN A 13 77.582 -9.172 1.661 1.00 0.00 O ATOM 155 CB GLN A 13 76.564 -11.780 3.591 1.00 0.00 C ATOM 156 CG GLN A 13 76.171 -13.214 3.231 1.00 0.00 C ATOM 157 CD GLN A 13 75.461 -13.868 4.422 1.00 0.00 C ATOM 158 OE1 GLN A 13 75.319 -13.237 5.469 1.00 0.00 O ATOM 159 NE2 GLN A 13 75.002 -15.096 4.338 1.00 0.00 N ATOM 0 H GLN A 13 78.926 -12.269 4.153 1.00 0.00 H new ATOM 0 HA GLN A 13 77.580 -11.679 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 13 76.846 -11.723 4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 13 75.713 -11.113 3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 13 75.516 -13.214 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 13 77.058 -13.788 2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 13 75.116 -15.625 3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 13 74.532 -15.520 5.137 1.00 0.00 H new ATOM 168 N ASP A 14 78.080 -9.218 3.854 1.00 0.00 N ATOM 169 CA ASP A 14 78.156 -7.764 3.970 1.00 0.00 C ATOM 170 C ASP A 14 79.290 -7.197 3.122 1.00 0.00 C ATOM 171 O ASP A 14 79.172 -6.103 2.568 1.00 0.00 O ATOM 172 CB ASP A 14 78.372 -7.367 5.431 1.00 0.00 C ATOM 173 CG ASP A 14 79.004 -5.982 5.503 1.00 0.00 C ATOM 174 OD1 ASP A 14 78.262 -5.014 5.517 1.00 0.00 O ATOM 175 OD2 ASP A 14 80.222 -5.909 5.539 1.00 0.00 O ATOM 0 H ASP A 14 78.261 -9.723 4.722 1.00 0.00 H new ATOM 0 HA ASP A 14 77.214 -7.352 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 14 77.420 -7.370 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 14 79.015 -8.096 5.924 1.00 0.00 H new ATOM 180 N THR A 15 80.391 -7.935 3.028 1.00 0.00 N ATOM 181 CA THR A 15 81.533 -7.474 2.247 1.00 0.00 C ATOM 182 C THR A 15 81.095 -7.044 0.851 1.00 0.00 C ATOM 183 O THR A 15 81.474 -5.974 0.379 1.00 0.00 O ATOM 184 CB THR A 15 82.582 -8.583 2.142 1.00 0.00 C ATOM 185 OG1 THR A 15 82.142 -9.716 2.875 1.00 0.00 O ATOM 186 CG2 THR A 15 83.911 -8.086 2.711 1.00 0.00 C ATOM 0 H THR A 15 80.517 -8.843 3.476 1.00 0.00 H new ATOM 0 HA THR A 15 81.969 -6.614 2.755 1.00 0.00 H new ATOM 0 HB THR A 15 82.720 -8.858 1.096 1.00 0.00 H new ATOM 0 HG1 THR A 15 82.080 -9.487 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.657 -8.877 2.636 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.246 -7.216 2.146 1.00 0.00 H new ATOM 0 HG23 THR A 15 83.779 -7.811 3.757 1.00 0.00 H new ATOM 194 N LEU A 16 80.291 -7.878 0.196 1.00 0.00 N ATOM 195 CA LEU A 16 79.812 -7.553 -1.146 1.00 0.00 C ATOM 196 C LEU A 16 78.981 -6.276 -1.118 1.00 0.00 C ATOM 197 O LEU A 16 79.093 -5.430 -2.006 1.00 0.00 O ATOM 198 CB LEU A 16 78.955 -8.694 -1.714 1.00 0.00 C ATOM 199 CG LEU A 16 79.301 -10.018 -1.026 1.00 0.00 C ATOM 200 CD1 LEU A 16 78.579 -11.164 -1.737 1.00 0.00 C ATOM 201 CD2 LEU A 16 80.811 -10.257 -1.092 1.00 0.00 C ATOM 0 H LEU A 16 79.961 -8.770 0.565 1.00 0.00 H new ATOM 0 HA LEU A 16 80.684 -7.410 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 16 77.898 -8.469 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 16 79.120 -8.781 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 16 78.986 -9.973 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 16 78.824 -12.107 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.502 -11.000 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.895 -11.202 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 16 81.052 -11.200 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 16 81.128 -10.299 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 16 81.331 -9.442 -0.588 1.00 0.00 H new ATOM 213 N THR A 17 78.147 -6.144 -0.093 1.00 0.00 N ATOM 214 CA THR A 17 77.297 -4.967 0.042 1.00 0.00 C ATOM 215 C THR A 17 78.142 -3.708 0.211 1.00 0.00 C ATOM 216 O THR A 17 77.931 -2.712 -0.480 1.00 0.00 O ATOM 217 CB THR A 17 76.373 -5.129 1.251 1.00 0.00 C ATOM 218 OG1 THR A 17 75.926 -6.476 1.325 1.00 0.00 O ATOM 219 CG2 THR A 17 75.170 -4.197 1.104 1.00 0.00 C ATOM 0 H THR A 17 78.041 -6.832 0.652 1.00 0.00 H new ATOM 0 HA THR A 17 76.699 -4.868 -0.864 1.00 0.00 H new ATOM 0 HB THR A 17 76.916 -4.875 2.161 1.00 0.00 H new ATOM 0 HG1 THR A 17 75.335 -6.583 2.100 1.00 0.00 H new ATOM 0 HG21 THR A 17 74.512 -4.313 1.966 1.00 0.00 H new ATOM 0 HG22 THR A 17 75.515 -3.164 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 17 74.624 -4.448 0.195 1.00 0.00 H new ATOM 227 N VAL A 18 79.093 -3.761 1.136 1.00 0.00 N ATOM 228 CA VAL A 18 79.961 -2.615 1.390 1.00 0.00 C ATOM 229 C VAL A 18 80.912 -2.380 0.219 1.00 0.00 C ATOM 230 O VAL A 18 81.063 -1.253 -0.252 1.00 0.00 O ATOM 231 CB VAL A 18 80.772 -2.848 2.665 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.783 -1.713 2.841 1.00 0.00 C ATOM 233 CG2 VAL A 18 79.828 -2.880 3.869 1.00 0.00 C ATOM 0 H VAL A 18 79.283 -4.577 1.718 1.00 0.00 H new ATOM 0 HA VAL A 18 79.332 -1.733 1.511 1.00 0.00 H new ATOM 0 HB VAL A 18 81.301 -3.798 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.361 -1.879 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.455 -1.688 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.254 -0.763 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.404 -3.046 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.300 -1.929 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.106 -3.687 3.744 1.00 0.00 H new ATOM 243 N ILE A 19 81.556 -3.447 -0.244 1.00 0.00 N ATOM 244 CA ILE A 19 82.496 -3.337 -1.354 1.00 0.00 C ATOM 245 C ILE A 19 81.829 -2.767 -2.587 1.00 0.00 C ATOM 246 O ILE A 19 82.393 -1.911 -3.265 1.00 0.00 O ATOM 247 CB ILE A 19 83.087 -4.705 -1.698 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.175 -5.060 -0.684 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.696 -4.654 -3.101 1.00 0.00 C ATOM 250 CD1 ILE A 19 84.634 -6.502 -0.909 1.00 0.00 C ATOM 0 H ILE A 19 81.446 -4.390 0.129 1.00 0.00 H new ATOM 0 HA ILE A 19 83.291 -2.662 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 19 82.302 -5.460 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.019 -4.378 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 19 83.793 -4.943 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.118 -5.628 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 19 82.922 -4.399 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 19 84.482 -3.899 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 19 85.410 -6.754 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 19 83.787 -7.177 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 19 85.032 -6.604 -1.918 1.00 0.00 H new ATOM 262 N ALA A 20 80.641 -3.250 -2.889 1.00 0.00 N ATOM 263 CA ALA A 20 79.949 -2.781 -4.070 1.00 0.00 C ATOM 264 C ALA A 20 79.797 -1.265 -4.049 1.00 0.00 C ATOM 265 O ALA A 20 80.077 -0.598 -5.043 1.00 0.00 O ATOM 266 CB ALA A 20 78.575 -3.444 -4.178 1.00 0.00 C ATOM 0 H ALA A 20 80.143 -3.954 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 20 80.545 -3.053 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 20 78.065 -3.082 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 20 78.697 -4.525 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 20 77.982 -3.198 -3.297 1.00 0.00 H new ATOM 272 N THR A 21 79.363 -0.722 -2.922 1.00 0.00 N ATOM 273 CA THR A 21 79.194 0.720 -2.809 1.00 0.00 C ATOM 274 C THR A 21 80.541 1.426 -2.911 1.00 0.00 C ATOM 275 O THR A 21 80.616 2.585 -3.320 1.00 0.00 O ATOM 276 CB THR A 21 78.530 1.068 -1.474 1.00 0.00 C ATOM 277 OG1 THR A 21 77.516 0.115 -1.189 1.00 0.00 O ATOM 278 CG2 THR A 21 77.913 2.464 -1.558 1.00 0.00 C ATOM 0 H THR A 21 79.124 -1.249 -2.082 1.00 0.00 H new ATOM 0 HA THR A 21 78.557 1.057 -3.627 1.00 0.00 H new ATOM 0 HB THR A 21 79.277 1.052 -0.681 1.00 0.00 H new ATOM 0 HG1 THR A 21 77.091 0.335 -0.334 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.441 2.711 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.693 3.194 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.165 2.484 -2.351 1.00 0.00 H new ATOM 286 N LEU A 22 81.601 0.720 -2.538 1.00 0.00 N ATOM 287 CA LEU A 22 82.942 1.290 -2.592 1.00 0.00 C ATOM 288 C LEU A 22 83.457 1.321 -4.024 1.00 0.00 C ATOM 289 O LEU A 22 83.945 2.347 -4.496 1.00 0.00 O ATOM 290 CB LEU A 22 83.893 0.453 -1.742 1.00 0.00 C ATOM 291 CG LEU A 22 83.703 0.786 -0.260 1.00 0.00 C ATOM 292 CD1 LEU A 22 84.548 -0.168 0.587 1.00 0.00 C ATOM 293 CD2 LEU A 22 84.146 2.228 0.008 1.00 0.00 C ATOM 0 H LEU A 22 81.560 -0.241 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 22 82.895 2.309 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 22 83.707 -0.608 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 22 84.924 0.647 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 22 82.650 0.677 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 84.414 0.067 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 22 84.233 -1.195 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 22 85.599 -0.057 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 22 84.009 2.460 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.198 2.340 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 22 83.547 2.911 -0.594 1.00 0.00 H new ATOM 305 N ARG A 23 83.351 0.187 -4.709 1.00 0.00 N ATOM 306 CA ARG A 23 83.818 0.102 -6.085 1.00 0.00 C ATOM 307 C ARG A 23 82.962 0.979 -6.984 1.00 0.00 C ATOM 308 O ARG A 23 83.443 1.507 -7.986 1.00 0.00 O ATOM 309 CB ARG A 23 83.797 -1.354 -6.590 1.00 0.00 C ATOM 310 CG ARG A 23 84.106 -2.338 -5.432 1.00 0.00 C ATOM 311 CD ARG A 23 85.125 -3.423 -5.845 1.00 0.00 C ATOM 312 NE ARG A 23 84.451 -4.696 -6.073 1.00 0.00 N ATOM 313 CZ ARG A 23 83.617 -4.866 -7.094 1.00 0.00 C ATOM 314 NH1 ARG A 23 83.387 -3.884 -7.922 1.00 0.00 N ATOM 315 NH2 ARG A 23 83.030 -6.017 -7.272 1.00 0.00 N ATOM 0 H ARG A 23 82.951 -0.675 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 23 84.848 0.457 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.821 -1.582 -7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 23 84.531 -1.479 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 23 84.495 -1.782 -4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 23 83.182 -2.815 -5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 23 85.647 -3.114 -6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 23 85.879 -3.538 -5.066 1.00 0.00 H new ATOM 0 HE ARG A 23 84.623 -5.473 -5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 23 83.848 -2.984 -7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 23 82.747 -4.016 -8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 23 83.211 -6.787 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 23 82.390 -6.147 -8.055 1.00 0.00 H new ATOM 329 N GLU A 24 81.696 1.141 -6.622 1.00 0.00 N ATOM 330 CA GLU A 24 80.805 1.974 -7.420 1.00 0.00 C ATOM 331 C GLU A 24 81.067 3.449 -7.146 1.00 0.00 C ATOM 332 O GLU A 24 81.044 4.277 -8.055 1.00 0.00 O ATOM 333 CB GLU A 24 79.341 1.639 -7.116 1.00 0.00 C ATOM 334 CG GLU A 24 78.493 1.835 -8.376 1.00 0.00 C ATOM 335 CD GLU A 24 78.384 0.521 -9.143 1.00 0.00 C ATOM 336 OE1 GLU A 24 79.411 -0.101 -9.361 1.00 0.00 O ATOM 337 OE2 GLU A 24 77.276 0.158 -9.501 1.00 0.00 O ATOM 0 H GLU A 24 81.269 0.717 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 24 81.001 1.771 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.259 0.610 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 24 78.971 2.278 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 24 77.499 2.190 -8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.941 2.600 -9.010 1.00 0.00 H new ATOM 344 N ALA A 25 81.316 3.752 -5.884 1.00 0.00 N ATOM 345 CA ALA A 25 81.574 5.124 -5.446 1.00 0.00 C ATOM 346 C ALA A 25 82.611 5.811 -6.331 1.00 0.00 C ATOM 347 O ALA A 25 82.362 6.892 -6.865 1.00 0.00 O ATOM 348 CB ALA A 25 82.075 5.111 -4.003 1.00 0.00 C ATOM 0 H ALA A 25 81.346 3.062 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 25 80.640 5.682 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 25 82.268 6.133 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.320 4.660 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 25 82.996 4.531 -3.943 1.00 0.00 H new ATOM 354 N ILE A 26 83.770 5.189 -6.478 1.00 0.00 N ATOM 355 CA ILE A 26 84.830 5.763 -7.299 1.00 0.00 C ATOM 356 C ILE A 26 84.430 5.757 -8.767 1.00 0.00 C ATOM 357 O ILE A 26 84.899 6.584 -9.550 1.00 0.00 O ATOM 358 CB ILE A 26 86.115 4.956 -7.121 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.338 5.858 -7.330 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.147 3.814 -8.139 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.512 5.013 -7.825 1.00 0.00 C ATOM 0 H ILE A 26 84.002 4.295 -6.045 1.00 0.00 H new ATOM 0 HA ILE A 26 84.995 6.793 -6.982 1.00 0.00 H new ATOM 0 HB ILE A 26 86.140 4.549 -6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.108 6.640 -8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 26 87.601 6.355 -6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.064 3.239 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.286 3.164 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.114 4.225 -9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.383 5.652 -7.974 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.746 4.247 -7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.245 4.537 -8.768 1.00 0.00 H new ATOM 373 N ASP A 27 83.580 4.806 -9.141 1.00 0.00 N ATOM 374 CA ASP A 27 83.154 4.696 -10.535 1.00 0.00 C ATOM 375 C ASP A 27 81.647 4.907 -10.718 1.00 0.00 C ATOM 376 O ASP A 27 81.024 4.215 -11.524 1.00 0.00 O ATOM 377 CB ASP A 27 83.537 3.318 -11.078 1.00 0.00 C ATOM 378 CG ASP A 27 83.551 3.343 -12.603 1.00 0.00 C ATOM 379 OD1 ASP A 27 83.898 4.375 -13.156 1.00 0.00 O ATOM 380 OD2 ASP A 27 83.217 2.331 -13.195 1.00 0.00 O ATOM 0 H ASP A 27 83.178 4.111 -8.512 1.00 0.00 H new ATOM 0 HA ASP A 27 83.662 5.487 -11.086 1.00 0.00 H new ATOM 0 HB2 ASP A 27 84.519 3.030 -10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 27 82.828 2.569 -10.725 1.00 0.00 H new ATOM 385 N LEU A 28 81.057 5.864 -10.001 1.00 0.00 N ATOM 386 CA LEU A 28 79.623 6.118 -10.159 1.00 0.00 C ATOM 387 C LEU A 28 79.331 6.593 -11.586 1.00 0.00 C ATOM 388 O LEU A 28 80.161 7.261 -12.201 1.00 0.00 O ATOM 389 CB LEU A 28 79.141 7.177 -9.158 1.00 0.00 C ATOM 390 CG LEU A 28 79.229 6.614 -7.746 1.00 0.00 C ATOM 391 CD1 LEU A 28 78.823 7.676 -6.741 1.00 0.00 C ATOM 392 CD2 LEU A 28 78.290 5.412 -7.597 1.00 0.00 C ATOM 0 H LEU A 28 81.532 6.461 -9.324 1.00 0.00 H new ATOM 0 HA LEU A 28 79.089 5.188 -9.966 1.00 0.00 H new ATOM 0 HB2 LEU A 28 79.751 8.077 -9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 28 78.114 7.466 -9.383 1.00 0.00 H new ATOM 0 HG LEU A 28 80.257 6.301 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 28 78.888 7.267 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 28 79.490 8.534 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 28 77.799 7.992 -6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 28 78.362 5.018 -6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 28 77.264 5.725 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 28 78.575 4.637 -8.309 1.00 0.00 H new ATOM 404 N PRO A 29 78.181 6.262 -12.122 1.00 0.00 N ATOM 405 CA PRO A 29 77.797 6.667 -13.508 1.00 0.00 C ATOM 406 C PRO A 29 77.708 8.182 -13.662 1.00 0.00 C ATOM 407 O PRO A 29 77.549 8.907 -12.680 1.00 0.00 O ATOM 408 CB PRO A 29 76.428 6.012 -13.728 1.00 0.00 C ATOM 409 CG PRO A 29 75.907 5.688 -12.367 1.00 0.00 C ATOM 410 CD PRO A 29 77.125 5.472 -11.473 1.00 0.00 C ATOM 0 HA PRO A 29 78.540 6.351 -14.240 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.752 6.686 -14.255 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.519 5.112 -14.336 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.286 6.499 -11.987 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.283 4.795 -12.394 1.00 0.00 H new ATOM 0 HD2 PRO A 29 76.939 5.813 -10.455 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.394 4.418 -11.412 1.00 0.00 H new ATOM 418 N GLN A 30 77.804 8.653 -14.902 1.00 0.00 N ATOM 419 CA GLN A 30 77.727 10.083 -15.174 1.00 0.00 C ATOM 420 C GLN A 30 76.449 10.669 -14.583 1.00 0.00 C ATOM 421 O GLN A 30 76.228 11.878 -14.630 1.00 0.00 O ATOM 422 CB GLN A 30 77.752 10.333 -16.683 1.00 0.00 C ATOM 423 CG GLN A 30 79.202 10.382 -17.167 1.00 0.00 C ATOM 424 CD GLN A 30 79.248 10.294 -18.688 1.00 0.00 C ATOM 425 OE1 GLN A 30 79.672 9.278 -19.239 1.00 0.00 O ATOM 426 NE2 GLN A 30 78.834 11.303 -19.404 1.00 0.00 N ATOM 0 H GLN A 30 77.934 8.069 -15.728 1.00 0.00 H new ATOM 0 HA GLN A 30 78.587 10.568 -14.713 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.210 9.543 -17.203 1.00 0.00 H new ATOM 0 HB3 GLN A 30 77.248 11.271 -16.916 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.674 11.306 -16.834 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.768 9.559 -16.730 1.00 0.00 H new ATOM 0 HE21 GLN A 30 78.483 12.144 -18.945 1.00 0.00 H new ATOM 0 HE22 GLN A 30 78.861 11.251 -20.422 1.00 0.00 H new ATOM 435 N ASP A 31 75.612 9.800 -14.025 1.00 0.00 N ATOM 436 CA ASP A 31 74.359 10.240 -13.426 1.00 0.00 C ATOM 437 C ASP A 31 74.578 10.641 -11.972 1.00 0.00 C ATOM 438 O ASP A 31 73.650 11.076 -11.291 1.00 0.00 O ATOM 439 CB ASP A 31 73.320 9.120 -13.503 1.00 0.00 C ATOM 440 CG ASP A 31 72.562 9.202 -14.823 1.00 0.00 C ATOM 441 OD1 ASP A 31 73.209 9.339 -15.848 1.00 0.00 O ATOM 442 OD2 ASP A 31 71.344 9.127 -14.790 1.00 0.00 O ATOM 0 H ASP A 31 75.778 8.795 -13.976 1.00 0.00 H new ATOM 0 HA ASP A 31 73.995 11.106 -13.979 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.811 8.151 -13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.623 9.201 -12.669 1.00 0.00 H new ATOM 447 N ALA A 32 75.815 10.498 -11.504 1.00 0.00 N ATOM 448 CA ALA A 32 76.146 10.856 -10.130 1.00 0.00 C ATOM 449 C ALA A 32 77.619 11.242 -10.008 1.00 0.00 C ATOM 450 O ALA A 32 78.378 10.595 -9.288 1.00 0.00 O ATOM 451 CB ALA A 32 75.852 9.682 -9.194 1.00 0.00 C ATOM 0 H ALA A 32 76.598 10.140 -12.051 1.00 0.00 H new ATOM 0 HA ALA A 32 75.533 11.712 -9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.103 9.961 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 32 74.794 9.427 -9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 32 76.449 8.820 -9.492 1.00 0.00 H new ATOM 457 N PRO A 33 78.031 12.283 -10.686 1.00 0.00 N ATOM 458 CA PRO A 33 79.443 12.758 -10.635 1.00 0.00 C ATOM 459 C PRO A 33 79.890 13.027 -9.202 1.00 0.00 C ATOM 460 O PRO A 33 81.031 13.413 -8.955 1.00 0.00 O ATOM 461 CB PRO A 33 79.438 14.054 -11.452 1.00 0.00 C ATOM 462 CG PRO A 33 78.209 14.004 -12.298 1.00 0.00 C ATOM 463 CD PRO A 33 77.201 13.116 -11.570 1.00 0.00 C ATOM 0 HA PRO A 33 80.137 12.015 -11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 33 79.427 14.927 -10.799 1.00 0.00 H new ATOM 0 HB3 PRO A 33 80.333 14.129 -12.069 1.00 0.00 H new ATOM 0 HG2 PRO A 33 77.803 15.005 -12.448 1.00 0.00 H new ATOM 0 HG3 PRO A 33 78.436 13.601 -13.285 1.00 0.00 H new ATOM 0 HD2 PRO A 33 76.484 13.709 -11.002 1.00 0.00 H new ATOM 0 HD3 PRO A 33 76.628 12.507 -12.269 1.00 0.00 H new ATOM 471 N ASN A 34 78.971 12.825 -8.262 1.00 0.00 N ATOM 472 CA ASN A 34 79.263 13.054 -6.854 1.00 0.00 C ATOM 473 C ASN A 34 79.976 11.852 -6.242 1.00 0.00 C ATOM 474 O ASN A 34 79.737 11.505 -5.085 1.00 0.00 O ATOM 475 CB ASN A 34 77.967 13.322 -6.090 1.00 0.00 C ATOM 476 CG ASN A 34 77.420 14.697 -6.457 1.00 0.00 C ATOM 477 OD1 ASN A 34 77.787 15.257 -7.490 1.00 0.00 O ATOM 478 ND2 ASN A 34 76.559 15.279 -5.667 1.00 0.00 N ATOM 0 H ASN A 34 78.021 12.504 -8.451 1.00 0.00 H new ATOM 0 HA ASN A 34 79.918 13.922 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 34 77.231 12.554 -6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 34 78.150 13.269 -5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 34 76.189 16.199 -5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 34 76.256 14.813 -4.811 1.00 0.00 H new ATOM 485 N ARG A 35 80.858 11.226 -7.014 1.00 0.00 N ATOM 486 CA ARG A 35 81.600 10.074 -6.513 1.00 0.00 C ATOM 487 C ARG A 35 82.271 10.438 -5.195 1.00 0.00 C ATOM 488 O ARG A 35 82.567 9.573 -4.373 1.00 0.00 O ATOM 489 CB ARG A 35 82.662 9.644 -7.529 1.00 0.00 C ATOM 490 CG ARG A 35 83.275 10.880 -8.192 1.00 0.00 C ATOM 491 CD ARG A 35 82.679 11.058 -9.589 1.00 0.00 C ATOM 492 NE ARG A 35 82.995 12.384 -10.107 1.00 0.00 N ATOM 493 CZ ARG A 35 82.977 12.633 -11.413 1.00 0.00 C ATOM 494 NH1 ARG A 35 82.680 11.681 -12.253 1.00 0.00 N ATOM 495 NH2 ARG A 35 83.258 13.828 -11.852 1.00 0.00 N ATOM 0 H ARG A 35 81.075 11.491 -7.975 1.00 0.00 H new ATOM 0 HA ARG A 35 80.908 9.247 -6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.439 9.063 -7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.215 8.998 -8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.080 11.765 -7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.358 10.771 -8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 35 83.072 10.294 -10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 35 81.598 10.923 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 35 83.234 13.133 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 35 82.462 10.746 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 35 82.666 11.871 -13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 35 83.492 14.571 -11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 35 83.244 14.020 -12.854 1.00 0.00 H new ATOM 509 N GLN A 36 82.497 11.735 -5.002 1.00 0.00 N ATOM 510 CA GLN A 36 83.126 12.227 -3.783 1.00 0.00 C ATOM 511 C GLN A 36 82.129 12.239 -2.626 1.00 0.00 C ATOM 512 O GLN A 36 82.405 11.710 -1.550 1.00 0.00 O ATOM 513 CB GLN A 36 83.657 13.643 -4.012 1.00 0.00 C ATOM 514 CG GLN A 36 84.842 13.905 -3.080 1.00 0.00 C ATOM 515 CD GLN A 36 85.343 15.333 -3.261 1.00 0.00 C ATOM 516 OE1 GLN A 36 84.860 16.068 -4.227 1.00 0.00 O flip ATOM 517 NE2 GLN A 36 86.196 15.794 -2.503 1.00 0.00 N flip ATOM 0 H GLN A 36 82.254 12.462 -5.674 1.00 0.00 H new ATOM 0 HA GLN A 36 83.950 11.561 -3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 36 83.965 13.763 -5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 36 82.868 14.372 -3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 36 84.543 13.745 -2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 36 85.645 13.200 -3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 36 86.572 15.219 -1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 36 86.526 16.751 -2.629 1.00 0.00 H new ATOM 526 N GLU A 37 80.971 12.855 -2.853 1.00 0.00 N ATOM 527 CA GLU A 37 79.946 12.938 -1.818 1.00 0.00 C ATOM 528 C GLU A 37 79.245 11.599 -1.636 1.00 0.00 C ATOM 529 O GLU A 37 79.109 11.112 -0.513 1.00 0.00 O ATOM 530 CB GLU A 37 78.915 14.008 -2.184 1.00 0.00 C ATOM 531 CG GLU A 37 79.593 15.113 -2.997 1.00 0.00 C ATOM 532 CD GLU A 37 78.735 16.372 -2.980 1.00 0.00 C ATOM 533 OE1 GLU A 37 78.323 16.772 -1.902 1.00 0.00 O ATOM 534 OE2 GLU A 37 78.500 16.921 -4.045 1.00 0.00 O ATOM 0 H GLU A 37 80.721 13.300 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 37 80.434 13.206 -0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 37 78.103 13.564 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 37 78.473 14.426 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 37 80.578 15.328 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 37 79.745 14.780 -4.024 1.00 0.00 H new ATOM 541 N VAL A 38 78.802 11.004 -2.736 1.00 0.00 N ATOM 542 CA VAL A 38 78.122 9.721 -2.657 1.00 0.00 C ATOM 543 C VAL A 38 78.991 8.725 -1.901 1.00 0.00 C ATOM 544 O VAL A 38 78.490 7.894 -1.144 1.00 0.00 O ATOM 545 CB VAL A 38 77.821 9.194 -4.057 1.00 0.00 C ATOM 546 CG1 VAL A 38 77.247 7.779 -3.952 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.800 10.110 -4.735 1.00 0.00 C ATOM 0 H VAL A 38 78.899 11.383 -3.678 1.00 0.00 H new ATOM 0 HA VAL A 38 77.180 9.852 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 38 78.738 9.173 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.031 7.399 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 38 77.972 7.127 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 38 76.329 7.802 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.583 9.736 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 38 75.882 10.129 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.207 11.119 -4.805 1.00 0.00 H new ATOM 557 N GLN A 39 80.301 8.827 -2.102 1.00 0.00 N ATOM 558 CA GLN A 39 81.236 7.941 -1.421 1.00 0.00 C ATOM 559 C GLN A 39 81.149 8.150 0.085 1.00 0.00 C ATOM 560 O GLN A 39 81.355 7.219 0.864 1.00 0.00 O ATOM 561 CB GLN A 39 82.665 8.214 -1.895 1.00 0.00 C ATOM 562 CG GLN A 39 83.654 7.515 -0.959 1.00 0.00 C ATOM 563 CD GLN A 39 84.866 7.027 -1.748 1.00 0.00 C ATOM 564 OE1 GLN A 39 85.559 7.825 -2.379 1.00 0.00 O ATOM 565 NE2 GLN A 39 85.165 5.755 -1.748 1.00 0.00 N ATOM 0 H GLN A 39 80.735 9.508 -2.725 1.00 0.00 H new ATOM 0 HA GLN A 39 80.974 6.910 -1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.796 7.854 -2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.857 9.287 -1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.973 8.202 -0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 39 83.168 6.673 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 39 84.589 5.096 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 39 85.974 5.421 -2.272 1.00 0.00 H new ATOM 574 N ASP A 40 80.836 9.378 0.491 1.00 0.00 N ATOM 575 CA ASP A 40 80.716 9.691 1.908 1.00 0.00 C ATOM 576 C ASP A 40 79.689 8.772 2.557 1.00 0.00 C ATOM 577 O ASP A 40 79.883 8.295 3.677 1.00 0.00 O ATOM 578 CB ASP A 40 80.292 11.148 2.090 1.00 0.00 C ATOM 579 CG ASP A 40 81.015 11.757 3.286 1.00 0.00 C ATOM 580 OD1 ASP A 40 82.207 11.531 3.411 1.00 0.00 O ATOM 581 OD2 ASP A 40 80.366 12.440 4.061 1.00 0.00 O ATOM 0 H ASP A 40 80.663 10.164 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 40 81.685 9.540 2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 40 80.520 11.717 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 40 79.214 11.206 2.239 1.00 0.00 H new ATOM 586 N THR A 41 78.599 8.519 1.841 1.00 0.00 N ATOM 587 CA THR A 41 77.545 7.648 2.347 1.00 0.00 C ATOM 588 C THR A 41 78.082 6.235 2.543 1.00 0.00 C ATOM 589 O THR A 41 77.730 5.555 3.507 1.00 0.00 O ATOM 590 CB THR A 41 76.371 7.628 1.363 1.00 0.00 C ATOM 591 OG1 THR A 41 75.438 8.636 1.726 1.00 0.00 O ATOM 592 CG2 THR A 41 75.687 6.259 1.401 1.00 0.00 C ATOM 0 H THR A 41 78.423 8.903 0.913 1.00 0.00 H new ATOM 0 HA THR A 41 77.200 8.030 3.308 1.00 0.00 H new ATOM 0 HB THR A 41 76.740 7.816 0.355 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.686 8.627 1.098 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.853 6.250 0.700 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.404 5.486 1.123 1.00 0.00 H new ATOM 0 HG23 THR A 41 75.317 6.065 2.408 1.00 0.00 H new ATOM 600 N ALA A 42 78.945 5.803 1.629 1.00 0.00 N ATOM 601 CA ALA A 42 79.531 4.473 1.719 1.00 0.00 C ATOM 602 C ALA A 42 80.395 4.367 2.970 1.00 0.00 C ATOM 603 O ALA A 42 80.499 3.302 3.580 1.00 0.00 O ATOM 604 CB ALA A 42 80.385 4.191 0.480 1.00 0.00 C ATOM 0 H ALA A 42 79.251 6.350 0.824 1.00 0.00 H new ATOM 0 HA ALA A 42 78.727 3.739 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 42 80.819 3.194 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 42 79.762 4.248 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.183 4.930 0.412 1.00 0.00 H new ATOM 610 N ARG A 43 81.009 5.484 3.349 1.00 0.00 N ATOM 611 CA ARG A 43 81.860 5.516 4.532 1.00 0.00 C ATOM 612 C ARG A 43 81.031 5.291 5.791 1.00 0.00 C ATOM 613 O ARG A 43 81.511 4.714 6.767 1.00 0.00 O ATOM 614 CB ARG A 43 82.572 6.867 4.623 1.00 0.00 C ATOM 615 CG ARG A 43 83.759 6.757 5.579 1.00 0.00 C ATOM 616 CD ARG A 43 84.429 8.123 5.718 1.00 0.00 C ATOM 617 NE ARG A 43 85.409 8.100 6.798 1.00 0.00 N ATOM 618 CZ ARG A 43 86.457 8.916 6.790 1.00 0.00 C ATOM 619 NH1 ARG A 43 86.623 9.755 5.804 1.00 0.00 N ATOM 620 NH2 ARG A 43 87.320 8.879 7.768 1.00 0.00 N ATOM 0 H ARG A 43 80.933 6.374 2.857 1.00 0.00 H new ATOM 0 HA ARG A 43 82.599 4.719 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 43 82.915 7.176 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 43 81.879 7.632 4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 43 83.423 6.404 6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 43 84.475 6.025 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 43 84.917 8.393 4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 43 83.676 8.886 5.917 1.00 0.00 H new ATOM 0 HE ARG A 43 85.288 7.447 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 43 85.948 9.784 5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 43 87.428 10.382 5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 43 87.190 8.223 8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 43 88.125 9.506 7.762 1.00 0.00 H new ATOM 634 N GLY A 44 79.782 5.747 5.762 1.00 0.00 N ATOM 635 CA GLY A 44 78.896 5.586 6.908 1.00 0.00 C ATOM 636 C GLY A 44 78.761 4.113 7.273 1.00 0.00 C ATOM 637 O GLY A 44 78.760 3.750 8.449 1.00 0.00 O ATOM 0 H GLY A 44 79.364 6.227 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 44 79.287 6.144 7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.915 6.002 6.678 1.00 0.00 H new ATOM 641 N GLN A 45 78.654 3.269 6.252 1.00 0.00 N ATOM 642 CA GLN A 45 78.526 1.831 6.469 1.00 0.00 C ATOM 643 C GLN A 45 79.767 1.283 7.164 1.00 0.00 C ATOM 644 O GLN A 45 79.669 0.462 8.077 1.00 0.00 O ATOM 645 CB GLN A 45 78.330 1.119 5.130 1.00 0.00 C ATOM 646 CG GLN A 45 76.872 1.253 4.690 1.00 0.00 C ATOM 647 CD GLN A 45 76.781 1.215 3.167 1.00 0.00 C ATOM 648 OE1 GLN A 45 76.945 2.243 2.509 1.00 0.00 O ATOM 649 NE2 GLN A 45 76.529 0.085 2.565 1.00 0.00 N ATOM 0 H GLN A 45 78.653 3.552 5.272 1.00 0.00 H new ATOM 0 HA GLN A 45 77.659 1.652 7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 45 78.989 1.550 4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 45 78.598 0.066 5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.279 0.445 5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 45 76.455 2.188 5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 45 76.394 -0.765 3.112 1.00 0.00 H new ATOM 0 HE22 GLN A 45 76.468 0.052 1.547 1.00 0.00 H new ATOM 658 N ILE A 46 80.935 1.743 6.728 1.00 0.00 N ATOM 659 CA ILE A 46 82.191 1.292 7.316 1.00 0.00 C ATOM 660 C ILE A 46 82.327 1.799 8.743 1.00 0.00 C ATOM 661 O ILE A 46 82.807 1.084 9.622 1.00 0.00 O ATOM 662 CB ILE A 46 83.372 1.788 6.478 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.166 1.381 5.016 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.666 1.164 7.000 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.277 1.988 4.157 1.00 0.00 C ATOM 0 H ILE A 46 81.038 2.423 5.975 1.00 0.00 H new ATOM 0 HA ILE A 46 82.191 0.202 7.330 1.00 0.00 H new ATOM 0 HB ILE A 46 83.437 2.874 6.549 1.00 0.00 H new ATOM 0 HG12 ILE A 46 83.174 0.295 4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.192 1.723 4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.507 1.517 6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 46 84.814 1.451 8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.601 0.078 6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.131 1.699 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 46 84.248 3.075 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.244 1.624 4.503 1.00 0.00 H new ATOM 677 N ASN A 47 81.898 3.033 8.974 1.00 0.00 N ATOM 678 CA ASN A 47 81.979 3.606 10.309 1.00 0.00 C ATOM 679 C ASN A 47 81.278 2.694 11.305 1.00 0.00 C ATOM 680 O ASN A 47 81.830 2.364 12.352 1.00 0.00 O ATOM 681 CB ASN A 47 81.337 4.993 10.331 1.00 0.00 C ATOM 682 CG ASN A 47 82.389 6.060 10.053 1.00 0.00 C ATOM 683 OD1 ASN A 47 83.538 5.926 10.477 1.00 0.00 O ATOM 684 ND2 ASN A 47 82.067 7.118 9.362 1.00 0.00 N ATOM 0 H ASN A 47 81.496 3.648 8.266 1.00 0.00 H new ATOM 0 HA ASN A 47 83.028 3.702 10.588 1.00 0.00 H new ATOM 0 HB2 ASN A 47 80.545 5.048 9.584 1.00 0.00 H new ATOM 0 HB3 ASN A 47 80.873 5.172 11.301 1.00 0.00 H new ATOM 0 HD21 ASN A 47 82.767 7.836 9.172 1.00 0.00 H new ATOM 0 HD22 ASN A 47 81.115 7.228 9.011 1.00 0.00 H new ATOM 691 N ASP A 48 80.063 2.279 10.968 1.00 0.00 N ATOM 692 CA ASP A 48 79.304 1.394 11.842 1.00 0.00 C ATOM 693 C ASP A 48 79.903 -0.006 11.826 1.00 0.00 C ATOM 694 O ASP A 48 80.133 -0.606 12.874 1.00 0.00 O ATOM 695 CB ASP A 48 77.849 1.325 11.384 1.00 0.00 C ATOM 696 CG ASP A 48 76.927 1.198 12.590 1.00 0.00 C ATOM 697 OD1 ASP A 48 76.985 2.063 13.449 1.00 0.00 O ATOM 698 OD2 ASP A 48 76.177 0.237 12.640 1.00 0.00 O ATOM 0 H ASP A 48 79.586 2.538 10.104 1.00 0.00 H new ATOM 0 HA ASP A 48 79.347 1.792 12.856 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.596 2.220 10.815 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.709 0.474 10.718 1.00 0.00 H new ATOM 703 N TYR A 49 80.158 -0.520 10.628 1.00 0.00 N ATOM 704 CA TYR A 49 80.734 -1.850 10.494 1.00 0.00 C ATOM 705 C TYR A 49 81.988 -1.971 11.354 1.00 0.00 C ATOM 706 O TYR A 49 82.100 -2.866 12.189 1.00 0.00 O ATOM 707 CB TYR A 49 81.092 -2.124 9.033 1.00 0.00 C ATOM 708 CG TYR A 49 81.419 -3.589 8.862 1.00 0.00 C ATOM 709 CD1 TYR A 49 80.402 -4.505 8.566 1.00 0.00 C ATOM 710 CD2 TYR A 49 82.740 -4.030 8.998 1.00 0.00 C ATOM 711 CE1 TYR A 49 80.707 -5.862 8.406 1.00 0.00 C ATOM 712 CE2 TYR A 49 83.046 -5.387 8.839 1.00 0.00 C ATOM 713 CZ TYR A 49 82.029 -6.304 8.543 1.00 0.00 C ATOM 714 OH TYR A 49 82.328 -7.641 8.386 1.00 0.00 O ATOM 0 H TYR A 49 79.977 -0.041 9.746 1.00 0.00 H new ATOM 0 HA TYR A 49 79.997 -2.581 10.828 1.00 0.00 H new ATOM 0 HB2 TYR A 49 80.260 -1.848 8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 49 81.944 -1.513 8.735 1.00 0.00 H new ATOM 0 HD1 TYR A 49 79.382 -4.165 8.461 1.00 0.00 H new ATOM 0 HD2 TYR A 49 83.524 -3.323 9.226 1.00 0.00 H new ATOM 0 HE1 TYR A 49 79.923 -6.568 8.177 1.00 0.00 H new ATOM 0 HE2 TYR A 49 84.066 -5.727 8.945 1.00 0.00 H new ATOM 0 HH TYR A 49 82.445 -8.056 9.266 1.00 0.00 H new ATOM 724 N ILE A 50 82.930 -1.063 11.143 1.00 0.00 N ATOM 725 CA ILE A 50 84.171 -1.082 11.904 1.00 0.00 C ATOM 726 C ILE A 50 83.953 -0.586 13.328 1.00 0.00 C ATOM 727 O ILE A 50 84.701 -0.947 14.236 1.00 0.00 O ATOM 728 CB ILE A 50 85.216 -0.213 11.213 1.00 0.00 C ATOM 729 CG1 ILE A 50 85.677 -0.908 9.933 1.00 0.00 C ATOM 730 CG2 ILE A 50 86.414 -0.011 12.144 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.578 0.035 9.139 1.00 0.00 C ATOM 0 H ILE A 50 82.860 -0.311 10.458 1.00 0.00 H new ATOM 0 HA ILE A 50 84.523 -2.113 11.951 1.00 0.00 H new ATOM 0 HB ILE A 50 84.782 0.757 10.970 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.216 -1.823 10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 50 84.815 -1.196 9.332 1.00 0.00 H new ATOM 0 HG21 ILE A 50 87.160 0.610 11.648 1.00 0.00 H new ATOM 0 HG22 ILE A 50 86.084 0.479 13.060 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.852 -0.979 12.388 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.908 -0.460 8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 50 86.024 0.938 8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 50 87.447 0.301 9.741 1.00 0.00 H new ATOM 743 N SER A 51 82.938 0.254 13.519 1.00 0.00 N ATOM 744 CA SER A 51 82.666 0.793 14.851 1.00 0.00 C ATOM 745 C SER A 51 81.340 0.291 15.416 1.00 0.00 C ATOM 746 O SER A 51 80.586 1.060 16.014 1.00 0.00 O ATOM 747 CB SER A 51 82.652 2.323 14.812 1.00 0.00 C ATOM 748 OG SER A 51 81.331 2.777 14.550 1.00 0.00 O ATOM 0 H SER A 51 82.303 0.571 12.787 1.00 0.00 H new ATOM 0 HA SER A 51 83.465 0.444 15.505 1.00 0.00 H new ATOM 0 HB2 SER A 51 83.005 2.725 15.762 1.00 0.00 H new ATOM 0 HB3 SER A 51 83.332 2.684 14.041 1.00 0.00 H new ATOM 0 HG SER A 51 81.083 2.549 13.630 1.00 0.00 H new ATOM 754 N ARG A 52 81.062 -0.999 15.252 1.00 0.00 N ATOM 755 CA ARG A 52 79.826 -1.563 15.787 1.00 0.00 C ATOM 756 C ARG A 52 79.499 -2.913 15.155 1.00 0.00 C ATOM 757 O ARG A 52 79.184 -3.870 15.863 1.00 0.00 O ATOM 758 CB ARG A 52 78.660 -0.595 15.556 1.00 0.00 C ATOM 759 CG ARG A 52 77.365 -1.389 15.359 1.00 0.00 C ATOM 760 CD ARG A 52 76.164 -0.458 15.508 1.00 0.00 C ATOM 761 NE ARG A 52 75.969 -0.111 16.912 1.00 0.00 N ATOM 762 CZ ARG A 52 74.770 0.225 17.379 1.00 0.00 C ATOM 763 NH1 ARG A 52 73.742 0.252 16.576 1.00 0.00 N ATOM 764 NH2 ARG A 52 74.623 0.529 18.640 1.00 0.00 N ATOM 0 H ARG A 52 81.662 -1.663 14.763 1.00 0.00 H new ATOM 0 HA ARG A 52 79.973 -1.716 16.856 1.00 0.00 H new ATOM 0 HB2 ARG A 52 78.560 0.079 16.407 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.856 0.024 14.680 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.358 -1.853 14.373 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.306 -2.195 16.091 1.00 0.00 H new ATOM 0 HD2 ARG A 52 76.320 0.447 14.920 1.00 0.00 H new ATOM 0 HD3 ARG A 52 75.269 -0.941 15.117 1.00 0.00 H new ATOM 0 HE ARG A 52 76.767 -0.126 17.547 1.00 0.00 H new ATOM 0 HH11 ARG A 52 73.858 0.015 15.591 1.00 0.00 H new ATOM 0 HH12 ARG A 52 72.822 0.510 16.934 1.00 0.00 H new ATOM 0 HH21 ARG A 52 75.428 0.509 19.267 1.00 0.00 H new ATOM 0 HH22 ARG A 52 73.704 0.787 18.999 1.00 0.00 H new ATOM 778 N TYR A 53 79.551 -2.987 13.828 1.00 0.00 N ATOM 779 CA TYR A 53 79.227 -4.236 13.143 1.00 0.00 C ATOM 780 C TYR A 53 80.420 -4.743 12.340 1.00 0.00 C ATOM 781 O TYR A 53 80.366 -4.828 11.113 1.00 0.00 O ATOM 782 CB TYR A 53 78.026 -4.026 12.209 1.00 0.00 C ATOM 783 CG TYR A 53 76.730 -4.267 12.956 1.00 0.00 C ATOM 784 CD1 TYR A 53 76.480 -5.503 13.576 1.00 0.00 C ATOM 785 CD2 TYR A 53 75.772 -3.249 13.023 1.00 0.00 C ATOM 786 CE1 TYR A 53 75.274 -5.711 14.258 1.00 0.00 C ATOM 787 CE2 TYR A 53 74.568 -3.458 13.706 1.00 0.00 C ATOM 788 CZ TYR A 53 74.320 -4.688 14.324 1.00 0.00 C ATOM 789 OH TYR A 53 73.133 -4.895 14.998 1.00 0.00 O ATOM 0 H TYR A 53 79.809 -2.214 13.215 1.00 0.00 H new ATOM 0 HA TYR A 53 78.975 -4.982 13.897 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.040 -3.012 11.810 1.00 0.00 H new ATOM 0 HB3 TYR A 53 78.095 -4.704 11.359 1.00 0.00 H new ATOM 0 HD1 TYR A 53 77.216 -6.291 13.527 1.00 0.00 H new ATOM 0 HD2 TYR A 53 75.962 -2.299 12.546 1.00 0.00 H new ATOM 0 HE1 TYR A 53 75.080 -6.661 14.733 1.00 0.00 H new ATOM 0 HE2 TYR A 53 73.831 -2.670 13.756 1.00 0.00 H new ATOM 0 HH TYR A 53 72.583 -4.085 14.949 1.00 0.00 H new ATOM 799 N ARG A 54 81.495 -5.080 13.043 1.00 0.00 N ATOM 800 CA ARG A 54 82.697 -5.579 12.387 1.00 0.00 C ATOM 801 C ARG A 54 82.676 -7.102 12.311 1.00 0.00 C ATOM 802 O ARG A 54 82.359 -7.678 11.270 1.00 0.00 O ATOM 803 CB ARG A 54 83.939 -5.122 13.155 1.00 0.00 C ATOM 804 CG ARG A 54 85.170 -5.852 12.617 1.00 0.00 C ATOM 805 CD ARG A 54 86.420 -5.017 12.901 1.00 0.00 C ATOM 806 NE ARG A 54 86.227 -4.217 14.105 1.00 0.00 N ATOM 807 CZ ARG A 54 87.137 -3.331 14.495 1.00 0.00 C ATOM 808 NH1 ARG A 54 88.225 -3.162 13.793 1.00 0.00 N ATOM 809 NH2 ARG A 54 86.944 -2.631 15.579 1.00 0.00 N ATOM 0 H ARG A 54 81.559 -5.018 14.059 1.00 0.00 H new ATOM 0 HA ARG A 54 82.727 -5.178 11.374 1.00 0.00 H new ATOM 0 HB2 ARG A 54 84.068 -4.045 13.051 1.00 0.00 H new ATOM 0 HB3 ARG A 54 83.818 -5.327 14.219 1.00 0.00 H new ATOM 0 HG2 ARG A 54 85.259 -6.832 13.086 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.067 -6.020 11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 54 87.283 -5.671 13.024 1.00 0.00 H new ATOM 0 HD3 ARG A 54 86.632 -4.366 12.053 1.00 0.00 H new ATOM 0 HE ARG A 54 85.378 -4.340 14.657 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.376 -3.710 12.946 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.924 -2.482 14.092 1.00 0.00 H new ATOM 0 HH21 ARG A 54 86.094 -2.764 16.127 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.643 -1.951 15.878 1.00 0.00 H new ATOM 823 N ARG A 55 83.015 -7.750 13.421 1.00 0.00 N ATOM 824 CA ARG A 55 83.033 -9.207 13.468 1.00 0.00 C ATOM 825 C ARG A 55 83.595 -9.774 12.168 1.00 0.00 C ATOM 826 O ARG A 55 82.852 -10.057 11.229 1.00 0.00 O ATOM 827 CB ARG A 55 81.616 -9.743 13.692 1.00 0.00 C ATOM 828 CG ARG A 55 81.522 -10.375 15.081 1.00 0.00 C ATOM 829 CD ARG A 55 82.433 -11.603 15.146 1.00 0.00 C ATOM 830 NE ARG A 55 81.649 -12.800 15.431 1.00 0.00 N ATOM 831 CZ ARG A 55 81.218 -13.063 16.660 1.00 0.00 C ATOM 832 NH1 ARG A 55 81.484 -12.240 17.636 1.00 0.00 N ATOM 833 NH2 ARG A 55 80.525 -14.145 16.890 1.00 0.00 N ATOM 0 H ARG A 55 83.279 -7.293 14.294 1.00 0.00 H new ATOM 0 HA ARG A 55 83.671 -9.518 14.295 1.00 0.00 H new ATOM 0 HB2 ARG A 55 80.891 -8.934 13.599 1.00 0.00 H new ATOM 0 HB3 ARG A 55 81.370 -10.481 12.928 1.00 0.00 H new ATOM 0 HG2 ARG A 55 81.814 -9.651 15.842 1.00 0.00 H new ATOM 0 HG3 ARG A 55 80.492 -10.662 15.293 1.00 0.00 H new ATOM 0 HD2 ARG A 55 82.962 -11.723 14.200 1.00 0.00 H new ATOM 0 HD3 ARG A 55 83.189 -11.463 15.918 1.00 0.00 H new ATOM 0 HE ARG A 55 81.428 -13.446 14.673 1.00 0.00 H new ATOM 0 HH11 ARG A 55 82.023 -11.393 17.456 1.00 0.00 H new ATOM 0 HH12 ARG A 55 81.153 -12.443 18.579 1.00 0.00 H new ATOM 0 HH21 ARG A 55 80.315 -14.788 16.127 1.00 0.00 H new ATOM 0 HH22 ARG A 55 80.194 -14.348 17.833 1.00 0.00 H new ATOM 847 N LYS A 56 84.913 -9.933 12.120 1.00 0.00 N ATOM 848 CA LYS A 56 85.566 -10.464 10.930 1.00 0.00 C ATOM 849 C LYS A 56 85.757 -11.973 11.054 1.00 0.00 C ATOM 850 O LYS A 56 85.879 -12.677 10.052 1.00 0.00 O ATOM 851 CB LYS A 56 86.925 -9.789 10.735 1.00 0.00 C ATOM 852 CG LYS A 56 87.881 -10.235 11.844 1.00 0.00 C ATOM 853 CD LYS A 56 88.657 -9.024 12.368 1.00 0.00 C ATOM 854 CE LYS A 56 89.554 -9.458 13.529 1.00 0.00 C ATOM 855 NZ LYS A 56 89.672 -8.341 14.510 1.00 0.00 N ATOM 0 H LYS A 56 85.546 -9.703 12.886 1.00 0.00 H new ATOM 0 HA LYS A 56 84.933 -10.259 10.067 1.00 0.00 H new ATOM 0 HB2 LYS A 56 87.336 -10.050 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 56 86.810 -8.705 10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 56 87.321 -10.700 12.655 1.00 0.00 H new ATOM 0 HG3 LYS A 56 88.573 -10.986 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 56 89.260 -8.592 11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 56 87.965 -8.250 12.699 1.00 0.00 H new ATOM 0 HE2 LYS A 56 89.137 -10.340 14.015 1.00 0.00 H new ATOM 0 HE3 LYS A 56 90.540 -9.735 13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 90.282 -8.635 15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 90.088 -7.511 14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 88.729 -8.097 14.873 1.00 0.00 H new ATOM 869 N GLY A 57 85.780 -12.460 12.289 1.00 0.00 N ATOM 870 CA GLY A 57 85.958 -13.887 12.534 1.00 0.00 C ATOM 871 C GLY A 57 87.165 -14.140 13.429 1.00 0.00 C ATOM 872 O GLY A 57 87.246 -15.169 14.101 1.00 0.00 O ATOM 0 H GLY A 57 85.679 -11.893 13.131 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.062 -14.294 13.002 1.00 0.00 H new ATOM 0 HA3 GLY A 57 86.088 -14.409 11.586 1.00 0.00 H new ATOM 876 N ASP A 58 88.102 -13.198 13.434 1.00 0.00 N ATOM 877 CA ASP A 58 89.302 -13.331 14.251 1.00 0.00 C ATOM 878 C ASP A 58 89.974 -14.677 13.998 1.00 0.00 C ATOM 879 O ASP A 58 89.626 -15.681 14.618 1.00 0.00 O ATOM 880 CB ASP A 58 88.941 -13.209 15.733 1.00 0.00 C ATOM 881 CG ASP A 58 90.181 -13.436 16.592 1.00 0.00 C ATOM 882 OD1 ASP A 58 91.228 -12.924 16.232 1.00 0.00 O ATOM 883 OD2 ASP A 58 90.063 -14.116 17.598 1.00 0.00 O ATOM 0 H ASP A 58 88.054 -12.340 12.885 1.00 0.00 H new ATOM 0 HA ASP A 58 89.995 -12.534 13.980 1.00 0.00 H new ATOM 0 HB2 ASP A 58 88.525 -12.222 15.934 1.00 0.00 H new ATOM 0 HB3 ASP A 58 88.172 -13.938 15.990 1.00 0.00 H new ATOM 888 N ALA A 59 90.937 -14.688 13.083 1.00 0.00 N ATOM 889 CA ALA A 59 91.650 -15.917 12.756 1.00 0.00 C ATOM 890 C ALA A 59 93.107 -15.616 12.423 1.00 0.00 C ATOM 891 O ALA A 59 93.855 -16.501 12.011 1.00 0.00 O ATOM 892 CB ALA A 59 90.984 -16.606 11.563 1.00 0.00 C ATOM 0 H ALA A 59 91.240 -13.867 12.559 1.00 0.00 H new ATOM 0 HA ALA A 59 91.615 -16.578 13.622 1.00 0.00 H new ATOM 0 HB1 ALA A 59 91.523 -17.523 11.325 1.00 0.00 H new ATOM 0 HB2 ALA A 59 89.950 -16.846 11.812 1.00 0.00 H new ATOM 0 HB3 ALA A 59 91.004 -15.940 10.701 1.00 0.00 H new ATOM 898 N GLY A 60 93.501 -14.360 12.604 1.00 0.00 N ATOM 899 CA GLY A 60 94.871 -13.953 12.318 1.00 0.00 C ATOM 900 C GLY A 60 94.905 -12.883 11.232 1.00 0.00 C ATOM 901 O GLY A 60 95.917 -12.705 10.553 1.00 0.00 O ATOM 0 H GLY A 60 92.897 -13.612 12.945 1.00 0.00 H new ATOM 0 HA2 GLY A 60 95.338 -13.571 13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 60 95.453 -14.818 12.000 1.00 0.00 H new ATOM 905 N GLY A 61 93.792 -12.175 11.070 1.00 0.00 N ATOM 906 CA GLY A 61 93.707 -11.127 10.060 1.00 0.00 C ATOM 907 C GLY A 61 93.873 -11.708 8.660 1.00 0.00 C ATOM 908 O GLY A 61 94.726 -12.565 8.430 1.00 0.00 O ATOM 0 H GLY A 61 92.943 -12.306 11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 61 92.745 -10.620 10.136 1.00 0.00 H new ATOM 0 HA3 GLY A 61 94.478 -10.378 10.241 1.00 0.00 H new ATOM 912 N LEU A 62 93.051 -11.237 7.727 1.00 0.00 N ATOM 913 CA LEU A 62 93.116 -11.720 6.353 1.00 0.00 C ATOM 914 C LEU A 62 93.735 -10.665 5.441 1.00 0.00 C ATOM 915 O LEU A 62 94.040 -9.555 5.878 1.00 0.00 O ATOM 916 CB LEU A 62 91.714 -12.069 5.849 1.00 0.00 C ATOM 917 CG LEU A 62 90.736 -12.098 7.026 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.336 -12.445 6.518 1.00 0.00 C ATOM 919 CD2 LEU A 62 91.187 -13.153 8.037 1.00 0.00 C ATOM 0 H LEU A 62 92.338 -10.527 7.896 1.00 0.00 H new ATOM 0 HA LEU A 62 93.740 -12.613 6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.389 -11.335 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 62 91.727 -13.038 5.350 1.00 0.00 H new ATOM 0 HG LEU A 62 90.716 -11.119 7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 62 88.640 -12.466 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 62 89.014 -11.694 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 62 89.355 -13.423 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 62 90.491 -13.174 8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 62 91.207 -14.132 7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 62 92.185 -12.906 8.400 1.00 0.00 H new ATOM 931 N LYS A 63 93.914 -11.019 4.173 1.00 0.00 N ATOM 932 CA LYS A 63 94.496 -10.095 3.206 1.00 0.00 C ATOM 933 C LYS A 63 93.444 -9.107 2.711 1.00 0.00 C ATOM 934 O LYS A 63 93.761 -7.972 2.357 1.00 0.00 O ATOM 935 CB LYS A 63 95.061 -10.875 2.016 1.00 0.00 C ATOM 936 CG LYS A 63 96.551 -11.147 2.240 1.00 0.00 C ATOM 937 CD LYS A 63 97.082 -12.035 1.112 1.00 0.00 C ATOM 938 CE LYS A 63 98.572 -12.302 1.330 1.00 0.00 C ATOM 939 NZ LYS A 63 98.815 -12.626 2.764 1.00 0.00 N ATOM 0 H LYS A 63 93.667 -11.932 3.793 1.00 0.00 H new ATOM 0 HA LYS A 63 95.298 -9.543 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 63 94.523 -11.816 1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 63 94.919 -10.308 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 63 97.103 -10.208 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 63 96.702 -11.635 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 63 96.533 -12.976 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.926 -11.549 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 63 98.900 -13.128 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 63 99.155 -11.428 1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 99.659 -13.228 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 98.964 -11.746 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 97.992 -13.131 3.150 1.00 0.00 H new ATOM 953 N SER A 64 92.191 -9.550 2.690 1.00 0.00 N ATOM 954 CA SER A 64 91.097 -8.699 2.236 1.00 0.00 C ATOM 955 C SER A 64 90.712 -7.693 3.316 1.00 0.00 C ATOM 956 O SER A 64 90.475 -6.519 3.029 1.00 0.00 O ATOM 957 CB SER A 64 89.883 -9.560 1.882 1.00 0.00 C ATOM 958 OG SER A 64 88.744 -8.724 1.725 1.00 0.00 O ATOM 0 H SER A 64 91.909 -10.486 2.980 1.00 0.00 H new ATOM 0 HA SER A 64 91.429 -8.153 1.353 1.00 0.00 H new ATOM 0 HB2 SER A 64 90.071 -10.114 0.962 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.703 -10.296 2.666 1.00 0.00 H new ATOM 0 HG SER A 64 87.965 -9.272 1.497 1.00 0.00 H new ATOM 964 N PHE A 65 90.649 -8.161 4.559 1.00 0.00 N ATOM 965 CA PHE A 65 90.287 -7.295 5.675 1.00 0.00 C ATOM 966 C PHE A 65 91.327 -6.195 5.870 1.00 0.00 C ATOM 967 O PHE A 65 90.984 -5.037 6.103 1.00 0.00 O ATOM 968 CB PHE A 65 90.174 -8.119 6.958 1.00 0.00 C ATOM 969 CG PHE A 65 89.882 -7.203 8.122 1.00 0.00 C ATOM 970 CD1 PHE A 65 88.702 -6.450 8.142 1.00 0.00 C ATOM 971 CD2 PHE A 65 90.793 -7.104 9.182 1.00 0.00 C ATOM 972 CE1 PHE A 65 88.432 -5.599 9.220 1.00 0.00 C ATOM 973 CE2 PHE A 65 90.522 -6.254 10.260 1.00 0.00 C ATOM 974 CZ PHE A 65 89.341 -5.501 10.279 1.00 0.00 C ATOM 0 H PHE A 65 90.843 -9.129 4.817 1.00 0.00 H new ATOM 0 HA PHE A 65 89.326 -6.832 5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 65 89.381 -8.861 6.858 1.00 0.00 H new ATOM 0 HB3 PHE A 65 91.101 -8.665 7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 65 88.000 -6.526 7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 65 91.704 -7.684 9.167 1.00 0.00 H new ATOM 0 HE1 PHE A 65 87.522 -5.018 9.234 1.00 0.00 H new ATOM 0 HE2 PHE A 65 91.224 -6.179 11.078 1.00 0.00 H new ATOM 0 HZ PHE A 65 89.132 -4.845 11.111 1.00 0.00 H new ATOM 984 N THR A 66 92.599 -6.566 5.780 1.00 0.00 N ATOM 985 CA THR A 66 93.679 -5.602 5.954 1.00 0.00 C ATOM 986 C THR A 66 93.608 -4.509 4.894 1.00 0.00 C ATOM 987 O THR A 66 93.997 -3.368 5.142 1.00 0.00 O ATOM 988 CB THR A 66 95.031 -6.314 5.874 1.00 0.00 C ATOM 989 OG1 THR A 66 95.018 -7.448 6.728 1.00 0.00 O ATOM 990 CG2 THR A 66 96.141 -5.357 6.310 1.00 0.00 C ATOM 0 H THR A 66 92.906 -7.520 5.589 1.00 0.00 H new ATOM 0 HA THR A 66 93.570 -5.139 6.935 1.00 0.00 H new ATOM 0 HB THR A 66 95.213 -6.634 4.848 1.00 0.00 H new ATOM 0 HG1 THR A 66 94.958 -8.264 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 66 97.103 -5.866 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 66 96.150 -4.487 5.653 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.962 -5.035 7.336 1.00 0.00 H new ATOM 998 N THR A 67 93.105 -4.859 3.714 1.00 0.00 N ATOM 999 CA THR A 67 92.989 -3.891 2.635 1.00 0.00 C ATOM 1000 C THR A 67 91.860 -2.912 2.927 1.00 0.00 C ATOM 1001 O THR A 67 91.980 -1.715 2.663 1.00 0.00 O ATOM 1002 CB THR A 67 92.705 -4.606 1.319 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.745 -6.012 1.527 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.752 -4.208 0.279 1.00 0.00 C ATOM 0 H THR A 67 92.775 -5.796 3.484 1.00 0.00 H new ATOM 0 HA THR A 67 93.930 -3.346 2.557 1.00 0.00 H new ATOM 0 HB THR A 67 91.717 -4.321 0.957 1.00 0.00 H new ATOM 0 HG1 THR A 67 93.654 -6.280 1.778 1.00 0.00 H new ATOM 0 HG21 THR A 67 93.545 -4.721 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.715 -3.130 0.119 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.743 -4.488 0.635 1.00 0.00 H new ATOM 1012 N MET A 68 90.763 -3.428 3.473 1.00 0.00 N ATOM 1013 CA MET A 68 89.624 -2.583 3.796 1.00 0.00 C ATOM 1014 C MET A 68 90.090 -1.386 4.611 1.00 0.00 C ATOM 1015 O MET A 68 89.592 -0.273 4.444 1.00 0.00 O ATOM 1016 CB MET A 68 88.583 -3.377 4.592 1.00 0.00 C ATOM 1017 CG MET A 68 87.691 -4.164 3.629 1.00 0.00 C ATOM 1018 SD MET A 68 86.268 -3.150 3.157 1.00 0.00 S ATOM 1019 CE MET A 68 85.069 -4.496 2.994 1.00 0.00 C ATOM 0 H MET A 68 90.641 -4.415 3.698 1.00 0.00 H new ATOM 0 HA MET A 68 89.168 -2.236 2.869 1.00 0.00 H new ATOM 0 HB2 MET A 68 89.080 -4.059 5.282 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.977 -2.700 5.194 1.00 0.00 H new ATOM 0 HG2 MET A 68 88.258 -4.449 2.743 1.00 0.00 H new ATOM 0 HG3 MET A 68 87.353 -5.086 4.101 1.00 0.00 H new ATOM 0 HE1 MET A 68 84.097 -4.086 2.720 1.00 0.00 H new ATOM 0 HE2 MET A 68 85.402 -5.188 2.220 1.00 0.00 H new ATOM 0 HE3 MET A 68 84.985 -5.026 3.943 1.00 0.00 H new ATOM 1029 N GLN A 69 91.064 -1.622 5.483 1.00 0.00 N ATOM 1030 CA GLN A 69 91.609 -0.553 6.310 1.00 0.00 C ATOM 1031 C GLN A 69 92.595 0.280 5.500 1.00 0.00 C ATOM 1032 O GLN A 69 92.859 1.439 5.826 1.00 0.00 O ATOM 1033 CB GLN A 69 92.312 -1.142 7.533 1.00 0.00 C ATOM 1034 CG GLN A 69 91.293 -1.876 8.409 1.00 0.00 C ATOM 1035 CD GLN A 69 91.716 -1.804 9.872 1.00 0.00 C ATOM 1036 OE1 GLN A 69 90.869 -1.699 10.759 1.00 0.00 O ATOM 1037 NE2 GLN A 69 92.983 -1.854 10.178 1.00 0.00 N ATOM 0 H GLN A 69 91.489 -2.537 5.635 1.00 0.00 H new ATOM 0 HA GLN A 69 90.791 0.086 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 69 93.097 -1.829 7.218 1.00 0.00 H new ATOM 0 HB3 GLN A 69 92.794 -0.349 8.105 1.00 0.00 H new ATOM 0 HG2 GLN A 69 90.306 -1.430 8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 69 91.214 -2.917 8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 69 93.683 -1.941 9.441 1.00 0.00 H new ATOM 0 HE22 GLN A 69 93.274 -1.806 11.154 1.00 0.00 H new ATOM 1046 N THR A 70 93.134 -0.316 4.440 1.00 0.00 N ATOM 1047 CA THR A 70 94.086 0.382 3.587 1.00 0.00 C ATOM 1048 C THR A 70 93.358 1.329 2.638 1.00 0.00 C ATOM 1049 O THR A 70 93.716 2.502 2.526 1.00 0.00 O ATOM 1050 CB THR A 70 94.904 -0.627 2.779 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.217 -1.746 3.597 1.00 0.00 O ATOM 1052 CG2 THR A 70 96.196 0.033 2.297 1.00 0.00 C ATOM 0 H THR A 70 92.929 -1.273 4.154 1.00 0.00 H new ATOM 0 HA THR A 70 94.755 0.964 4.221 1.00 0.00 H new ATOM 0 HB THR A 70 94.324 -0.959 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 70 94.395 -2.101 3.994 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.779 -0.686 1.721 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.954 0.890 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.777 0.366 3.157 1.00 0.00 H new ATOM 1060 N ALA A 71 92.333 0.818 1.961 1.00 0.00 N ATOM 1061 CA ALA A 71 91.565 1.644 1.033 1.00 0.00 C ATOM 1062 C ALA A 71 90.701 2.643 1.797 1.00 0.00 C ATOM 1063 O ALA A 71 90.472 3.760 1.335 1.00 0.00 O ATOM 1064 CB ALA A 71 90.677 0.771 0.147 1.00 0.00 C ATOM 0 H ALA A 71 92.018 -0.149 2.035 1.00 0.00 H new ATOM 0 HA ALA A 71 92.268 2.189 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 71 90.112 1.404 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 71 91.299 0.082 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.986 0.204 0.771 1.00 0.00 H new ATOM 1070 N LEU A 72 90.223 2.232 2.969 1.00 0.00 N ATOM 1071 CA LEU A 72 89.384 3.102 3.788 1.00 0.00 C ATOM 1072 C LEU A 72 90.085 4.436 4.016 1.00 0.00 C ATOM 1073 O LEU A 72 89.510 5.499 3.786 1.00 0.00 O ATOM 1074 CB LEU A 72 89.094 2.423 5.133 1.00 0.00 C ATOM 1075 CG LEU A 72 88.488 3.429 6.118 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.273 4.105 5.481 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.047 2.696 7.387 1.00 0.00 C ATOM 0 H LEU A 72 90.400 1.311 3.370 1.00 0.00 H new ATOM 0 HA LEU A 72 88.442 3.284 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.408 1.589 4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.015 2.010 5.545 1.00 0.00 H new ATOM 0 HG LEU A 72 89.235 4.182 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 72 86.844 4.820 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.580 4.627 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.527 3.351 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.616 3.410 8.088 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.302 1.943 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 72 88.909 2.212 7.846 1.00 0.00 H new ATOM 1089 N ASN A 73 91.334 4.375 4.459 1.00 0.00 N ATOM 1090 CA ASN A 73 92.101 5.590 4.701 1.00 0.00 C ATOM 1091 C ASN A 73 92.385 6.310 3.384 1.00 0.00 C ATOM 1092 O ASN A 73 92.487 7.536 3.345 1.00 0.00 O ATOM 1093 CB ASN A 73 93.422 5.249 5.394 1.00 0.00 C ATOM 1094 CG ASN A 73 93.554 6.051 6.684 1.00 0.00 C ATOM 1095 OD1 ASN A 73 94.190 7.105 6.699 1.00 0.00 O ATOM 1096 ND2 ASN A 73 92.985 5.613 7.775 1.00 0.00 N ATOM 0 H ASN A 73 91.833 3.508 4.656 1.00 0.00 H new ATOM 0 HA ASN A 73 91.515 6.246 5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 73 93.463 4.182 5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.258 5.470 4.731 1.00 0.00 H new ATOM 0 HD21 ASN A 73 93.067 6.144 8.642 1.00 0.00 H new ATOM 0 HD22 ASN A 73 92.459 4.739 7.760 1.00 0.00 H new ATOM 1103 N SER A 74 92.516 5.538 2.308 1.00 0.00 N ATOM 1104 CA SER A 74 92.796 6.108 0.994 1.00 0.00 C ATOM 1105 C SER A 74 91.611 6.919 0.480 1.00 0.00 C ATOM 1106 O SER A 74 91.746 8.109 0.192 1.00 0.00 O ATOM 1107 CB SER A 74 93.120 4.992 0.002 1.00 0.00 C ATOM 1108 OG SER A 74 93.822 3.955 0.676 1.00 0.00 O ATOM 0 H SER A 74 92.433 4.521 2.320 1.00 0.00 H new ATOM 0 HA SER A 74 93.653 6.775 1.091 1.00 0.00 H new ATOM 0 HB2 SER A 74 92.202 4.601 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 74 93.723 5.382 -0.818 1.00 0.00 H new ATOM 0 HG SER A 74 93.242 3.557 1.358 1.00 0.00 H new ATOM 1114 N LEU A 75 90.451 6.280 0.360 1.00 0.00 N ATOM 1115 CA LEU A 75 89.269 6.981 -0.126 1.00 0.00 C ATOM 1116 C LEU A 75 88.911 8.123 0.820 1.00 0.00 C ATOM 1117 O LEU A 75 88.475 9.187 0.385 1.00 0.00 O ATOM 1118 CB LEU A 75 88.077 6.026 -0.258 1.00 0.00 C ATOM 1119 CG LEU A 75 87.856 5.274 1.057 1.00 0.00 C ATOM 1120 CD1 LEU A 75 86.733 5.950 1.846 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.461 3.826 0.754 1.00 0.00 C ATOM 0 H LEU A 75 90.306 5.297 0.588 1.00 0.00 H new ATOM 0 HA LEU A 75 89.498 7.385 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.180 6.586 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 75 88.257 5.317 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 75 88.775 5.288 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.574 5.416 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.009 6.983 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 75 85.815 5.934 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 75 87.303 3.289 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.541 3.815 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.257 3.343 0.188 1.00 0.00 H new ATOM 1133 N ALA A 76 89.110 7.896 2.115 1.00 0.00 N ATOM 1134 CA ALA A 76 88.813 8.920 3.108 1.00 0.00 C ATOM 1135 C ALA A 76 89.413 10.253 2.678 1.00 0.00 C ATOM 1136 O ALA A 76 88.736 11.281 2.682 1.00 0.00 O ATOM 1137 CB ALA A 76 89.384 8.516 4.468 1.00 0.00 C ATOM 0 H ALA A 76 89.472 7.022 2.497 1.00 0.00 H new ATOM 0 HA ALA A 76 87.731 9.023 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 76 89.156 9.289 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.939 7.573 4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.465 8.399 4.389 1.00 0.00 H new ATOM 1143 N GLY A 77 90.685 10.224 2.296 1.00 0.00 N ATOM 1144 CA GLY A 77 91.362 11.435 1.851 1.00 0.00 C ATOM 1145 C GLY A 77 90.597 12.065 0.695 1.00 0.00 C ATOM 1146 O GLY A 77 90.517 13.288 0.580 1.00 0.00 O ATOM 0 H GLY A 77 91.263 9.384 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 77 91.438 12.143 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 77 92.379 11.199 1.539 1.00 0.00 H new ATOM 1150 N TYR A 78 90.031 11.216 -0.158 1.00 0.00 N ATOM 1151 CA TYR A 78 89.265 11.695 -1.302 1.00 0.00 C ATOM 1152 C TYR A 78 88.188 12.675 -0.846 1.00 0.00 C ATOM 1153 O TYR A 78 87.796 13.574 -1.589 1.00 0.00 O ATOM 1154 CB TYR A 78 88.608 10.517 -2.027 1.00 0.00 C ATOM 1155 CG TYR A 78 88.257 10.926 -3.438 1.00 0.00 C ATOM 1156 CD1 TYR A 78 89.271 11.253 -4.346 1.00 0.00 C ATOM 1157 CD2 TYR A 78 86.916 10.978 -3.837 1.00 0.00 C ATOM 1158 CE1 TYR A 78 88.944 11.631 -5.654 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.589 11.356 -5.144 1.00 0.00 C ATOM 1160 CZ TYR A 78 87.603 11.682 -6.053 1.00 0.00 C ATOM 1161 OH TYR A 78 87.280 12.055 -7.342 1.00 0.00 O ATOM 0 H TYR A 78 90.088 10.201 -0.079 1.00 0.00 H new ATOM 0 HA TYR A 78 89.946 12.204 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 78 89.285 9.663 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 78 87.710 10.203 -1.494 1.00 0.00 H new ATOM 0 HD1 TYR A 78 90.305 11.214 -4.038 1.00 0.00 H new ATOM 0 HD2 TYR A 78 86.134 10.726 -3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 78 89.726 11.883 -6.355 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.555 11.396 -5.452 1.00 0.00 H new ATOM 0 HH TYR A 78 86.307 12.037 -7.454 1.00 0.00 H new ATOM 1171 N TYR A 79 87.714 12.492 0.384 1.00 0.00 N ATOM 1172 CA TYR A 79 86.680 13.364 0.933 1.00 0.00 C ATOM 1173 C TYR A 79 87.298 14.444 1.816 1.00 0.00 C ATOM 1174 O TYR A 79 86.633 15.412 2.185 1.00 0.00 O ATOM 1175 CB TYR A 79 85.685 12.542 1.753 1.00 0.00 C ATOM 1176 CG TYR A 79 85.311 13.303 3.003 1.00 0.00 C ATOM 1177 CD1 TYR A 79 84.270 14.240 2.966 1.00 0.00 C ATOM 1178 CD2 TYR A 79 86.003 13.073 4.198 1.00 0.00 C ATOM 1179 CE1 TYR A 79 83.922 14.946 4.124 1.00 0.00 C ATOM 1180 CE2 TYR A 79 85.655 13.778 5.356 1.00 0.00 C ATOM 1181 CZ TYR A 79 84.615 14.716 5.319 1.00 0.00 C ATOM 1182 OH TYR A 79 84.272 15.412 6.460 1.00 0.00 O ATOM 0 H TYR A 79 88.027 11.754 1.015 1.00 0.00 H new ATOM 0 HA TYR A 79 86.161 13.844 0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 79 84.794 12.334 1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 79 86.123 11.580 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 79 83.736 14.418 2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 79 86.806 12.351 4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 79 83.119 15.668 4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 79 86.188 13.599 6.278 1.00 0.00 H new ATOM 0 HH TYR A 79 84.850 15.132 7.200 1.00 0.00 H new ATOM 1192 N THR A 80 88.574 14.274 2.151 1.00 0.00 N ATOM 1193 CA THR A 80 89.267 15.244 2.991 1.00 0.00 C ATOM 1194 C THR A 80 89.740 16.430 2.158 1.00 0.00 C ATOM 1195 O THR A 80 90.925 16.765 2.154 1.00 0.00 O ATOM 1196 CB THR A 80 90.470 14.584 3.669 1.00 0.00 C ATOM 1197 OG1 THR A 80 90.092 13.304 4.158 1.00 0.00 O ATOM 1198 CG2 THR A 80 90.947 15.457 4.831 1.00 0.00 C ATOM 0 H THR A 80 89.144 13.481 1.857 1.00 0.00 H new ATOM 0 HA THR A 80 88.572 15.600 3.751 1.00 0.00 H new ATOM 0 HB THR A 80 91.279 14.473 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 80 90.866 12.872 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 80 91.804 14.985 5.313 1.00 0.00 H new ATOM 0 HG22 THR A 80 91.237 16.438 4.454 1.00 0.00 H new ATOM 0 HG23 THR A 80 90.141 15.571 5.556 1.00 0.00 H new ATOM 1206 N SER A 81 88.807 17.062 1.453 1.00 0.00 N ATOM 1207 CA SER A 81 89.144 18.210 0.620 1.00 0.00 C ATOM 1208 C SER A 81 90.430 17.949 -0.160 1.00 0.00 C ATOM 1209 O SER A 81 91.471 18.541 0.124 1.00 0.00 O ATOM 1210 CB SER A 81 89.316 19.454 1.492 1.00 0.00 C ATOM 1211 OG SER A 81 90.153 19.139 2.597 1.00 0.00 O ATOM 0 H SER A 81 87.821 16.802 1.442 1.00 0.00 H new ATOM 0 HA SER A 81 88.331 18.373 -0.088 1.00 0.00 H new ATOM 0 HB2 SER A 81 89.754 20.264 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 81 88.345 19.803 1.844 1.00 0.00 H new ATOM 0 HG SER A 81 90.942 18.651 2.281 1.00 0.00 H new ATOM 1217 N TYR A 82 90.347 17.057 -1.142 1.00 0.00 N ATOM 1218 CA TYR A 82 91.509 16.722 -1.959 1.00 0.00 C ATOM 1219 C TYR A 82 91.309 17.199 -3.394 1.00 0.00 C ATOM 1220 O TYR A 82 92.015 18.089 -3.867 1.00 0.00 O ATOM 1221 CB TYR A 82 91.738 15.209 -1.947 1.00 0.00 C ATOM 1222 CG TYR A 82 93.181 14.920 -1.603 1.00 0.00 C ATOM 1223 CD1 TYR A 82 94.183 15.118 -2.562 1.00 0.00 C ATOM 1224 CD2 TYR A 82 93.516 14.452 -0.327 1.00 0.00 C ATOM 1225 CE1 TYR A 82 95.519 14.848 -2.243 1.00 0.00 C ATOM 1226 CE2 TYR A 82 94.853 14.182 -0.009 1.00 0.00 C ATOM 1227 CZ TYR A 82 95.855 14.380 -0.966 1.00 0.00 C ATOM 1228 OH TYR A 82 97.171 14.114 -0.653 1.00 0.00 O ATOM 0 H TYR A 82 89.494 16.556 -1.391 1.00 0.00 H new ATOM 0 HA TYR A 82 92.382 17.223 -1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 82 91.078 14.736 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 82 91.494 14.786 -2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 82 93.925 15.479 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 82 92.744 14.299 0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 82 96.292 15.001 -2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 82 95.111 13.821 0.976 1.00 0.00 H new ATOM 0 HH TYR A 82 97.230 13.798 0.273 1.00 0.00 H new ATOM 1238 N GLY A 83 90.341 16.601 -4.082 1.00 0.00 N ATOM 1239 CA GLY A 83 90.058 16.975 -5.464 1.00 0.00 C ATOM 1240 C GLY A 83 88.884 16.173 -6.019 1.00 0.00 C ATOM 1241 O GLY A 83 88.780 14.968 -5.791 1.00 0.00 O ATOM 0 H GLY A 83 89.744 15.862 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.833 18.040 -5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.942 16.805 -6.079 1.00 0.00 H new ATOM 1245 N ALA A 84 88.006 16.851 -6.750 1.00 0.00 N ATOM 1246 CA ALA A 84 86.843 16.193 -7.335 1.00 0.00 C ATOM 1247 C ALA A 84 87.086 15.890 -8.810 1.00 0.00 C ATOM 1248 O ALA A 84 86.353 16.360 -9.680 1.00 0.00 O ATOM 1249 CB ALA A 84 85.609 17.088 -7.194 1.00 0.00 C ATOM 0 H ALA A 84 88.076 17.849 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 84 86.674 15.256 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 84 84.745 16.589 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 84 85.418 17.281 -6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 84 85.784 18.032 -7.710 1.00 0.00 H new ATOM 1255 N ARG A 85 88.120 15.102 -9.082 1.00 0.00 N ATOM 1256 CA ARG A 85 88.456 14.738 -10.454 1.00 0.00 C ATOM 1257 C ARG A 85 89.765 13.951 -10.500 1.00 0.00 C ATOM 1258 O ARG A 85 89.829 12.879 -11.101 1.00 0.00 O ATOM 1259 CB ARG A 85 88.578 15.995 -11.322 1.00 0.00 C ATOM 1260 CG ARG A 85 87.501 15.971 -12.408 1.00 0.00 C ATOM 1261 CD ARG A 85 87.729 17.131 -13.380 1.00 0.00 C ATOM 1262 NE ARG A 85 89.100 17.111 -13.875 1.00 0.00 N ATOM 1263 CZ ARG A 85 89.481 17.904 -14.870 1.00 0.00 C ATOM 1264 NH1 ARG A 85 88.626 18.722 -15.419 1.00 0.00 N ATOM 1265 NH2 ARG A 85 90.714 17.865 -15.298 1.00 0.00 N ATOM 0 H ARG A 85 88.738 14.704 -8.374 1.00 0.00 H new ATOM 0 HA ARG A 85 87.656 14.109 -10.844 1.00 0.00 H new ATOM 0 HB2 ARG A 85 88.468 16.887 -10.706 1.00 0.00 H new ATOM 0 HB3 ARG A 85 89.567 16.041 -11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.531 15.022 -12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 85 86.512 16.050 -11.956 1.00 0.00 H new ATOM 0 HD2 ARG A 85 87.032 17.058 -14.215 1.00 0.00 H new ATOM 0 HD3 ARG A 85 87.529 18.079 -12.880 1.00 0.00 H new ATOM 0 HE ARG A 85 89.778 16.478 -13.450 1.00 0.00 H new ATOM 0 HH11 ARG A 85 87.663 18.753 -15.084 1.00 0.00 H new ATOM 0 HH12 ARG A 85 88.920 19.330 -16.183 1.00 0.00 H new ATOM 0 HH21 ARG A 85 91.383 17.226 -14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 85 91.008 18.473 -16.062 1.00 0.00 H new ATOM 1279 N PRO A 86 90.803 14.457 -9.881 1.00 0.00 N ATOM 1280 CA PRO A 86 92.128 13.782 -9.857 1.00 0.00 C ATOM 1281 C PRO A 86 92.196 12.687 -8.796 1.00 0.00 C ATOM 1282 O PRO A 86 91.918 12.929 -7.622 1.00 0.00 O ATOM 1283 CB PRO A 86 93.097 14.918 -9.534 1.00 0.00 C ATOM 1284 CG PRO A 86 92.303 15.904 -8.741 1.00 0.00 C ATOM 1285 CD PRO A 86 90.831 15.728 -9.136 1.00 0.00 C ATOM 0 HA PRO A 86 92.352 13.276 -10.796 1.00 0.00 H new ATOM 0 HB2 PRO A 86 93.953 14.554 -8.965 1.00 0.00 H new ATOM 0 HB3 PRO A 86 93.489 15.371 -10.445 1.00 0.00 H new ATOM 0 HG2 PRO A 86 92.437 15.735 -7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 86 92.637 16.921 -8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 86 90.186 15.689 -8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 86 90.482 16.557 -9.751 1.00 0.00 H new ATOM 1293 N ILE A 87 92.567 11.482 -9.218 1.00 0.00 N ATOM 1294 CA ILE A 87 92.667 10.359 -8.292 1.00 0.00 C ATOM 1295 C ILE A 87 94.126 9.926 -8.126 1.00 0.00 C ATOM 1296 O ILE A 87 94.629 9.123 -8.911 1.00 0.00 O ATOM 1297 CB ILE A 87 91.853 9.178 -8.823 1.00 0.00 C ATOM 1298 CG1 ILE A 87 90.513 9.681 -9.365 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.600 8.181 -7.692 1.00 0.00 C ATOM 1300 CD1 ILE A 87 89.641 8.485 -9.750 1.00 0.00 C ATOM 0 H ILE A 87 92.801 11.259 -10.185 1.00 0.00 H new ATOM 0 HA ILE A 87 92.277 10.675 -7.325 1.00 0.00 H new ATOM 0 HB ILE A 87 92.408 8.688 -9.623 1.00 0.00 H new ATOM 0 HG12 ILE A 87 90.008 10.286 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 87 90.676 10.321 -10.232 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.020 7.340 -8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 87 92.553 7.820 -7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.046 8.672 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 87 88.686 8.841 -10.136 1.00 0.00 H new ATOM 0 HD12 ILE A 87 90.147 7.898 -10.517 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.468 7.863 -8.872 1.00 0.00 H new ATOM 1312 N PRO A 88 94.809 10.427 -7.125 1.00 0.00 N ATOM 1313 CA PRO A 88 96.233 10.063 -6.873 1.00 0.00 C ATOM 1314 C PRO A 88 96.444 8.552 -6.874 1.00 0.00 C ATOM 1315 O PRO A 88 95.615 7.800 -6.358 1.00 0.00 O ATOM 1316 CB PRO A 88 96.524 10.652 -5.490 1.00 0.00 C ATOM 1317 CG PRO A 88 95.550 11.769 -5.325 1.00 0.00 C ATOM 1318 CD PRO A 88 94.309 11.392 -6.132 1.00 0.00 C ATOM 0 HA PRO A 88 96.896 10.446 -7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.399 9.902 -4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.551 11.012 -5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 88 95.299 11.912 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 88 95.973 12.708 -5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 88 93.540 10.950 -5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 88 93.865 12.264 -6.612 1.00 0.00 H new ATOM 1326 N GLU A 89 97.553 8.113 -7.458 1.00 0.00 N ATOM 1327 CA GLU A 89 97.857 6.690 -7.519 1.00 0.00 C ATOM 1328 C GLU A 89 97.549 6.022 -6.183 1.00 0.00 C ATOM 1329 O GLU A 89 97.147 4.867 -6.135 1.00 0.00 O ATOM 1330 CB GLU A 89 99.333 6.485 -7.869 1.00 0.00 C ATOM 1331 CG GLU A 89 99.452 5.585 -9.101 1.00 0.00 C ATOM 1332 CD GLU A 89 99.051 6.356 -10.354 1.00 0.00 C ATOM 1333 OE1 GLU A 89 97.941 6.862 -10.386 1.00 0.00 O ATOM 1334 OE2 GLU A 89 99.860 6.431 -11.264 1.00 0.00 O ATOM 0 H GLU A 89 98.251 8.717 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 89 97.237 6.236 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.808 7.447 -8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.857 6.035 -7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 89 100.476 5.223 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 89 98.814 4.709 -8.984 1.00 0.00 H new ATOM 1341 N LYS A 90 97.738 6.760 -5.101 1.00 0.00 N ATOM 1342 CA LYS A 90 97.475 6.228 -3.774 1.00 0.00 C ATOM 1343 C LYS A 90 96.053 5.697 -3.692 1.00 0.00 C ATOM 1344 O LYS A 90 95.840 4.539 -3.360 1.00 0.00 O ATOM 1345 CB LYS A 90 97.683 7.316 -2.721 1.00 0.00 C ATOM 1346 CG LYS A 90 98.900 8.162 -3.101 1.00 0.00 C ATOM 1347 CD LYS A 90 99.489 8.812 -1.847 1.00 0.00 C ATOM 1348 CE LYS A 90 100.626 9.756 -2.248 1.00 0.00 C ATOM 1349 NZ LYS A 90 101.702 8.977 -2.925 1.00 0.00 N ATOM 0 H LYS A 90 98.071 7.724 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 90 98.169 5.410 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 90 96.796 7.945 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 90 97.831 6.865 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 90 99.651 7.539 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 90 98.611 8.930 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 90 98.715 9.363 -1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 90 99.861 8.045 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 90 100.250 10.533 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 90 101.025 10.258 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 102.574 9.543 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 101.878 8.098 -2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 101.406 8.746 -3.895 1.00 0.00 H new ATOM 1363 N LEU A 91 95.082 6.542 -4.017 1.00 0.00 N ATOM 1364 CA LEU A 91 93.693 6.130 -3.990 1.00 0.00 C ATOM 1365 C LEU A 91 93.430 5.217 -5.164 1.00 0.00 C ATOM 1366 O LEU A 91 92.950 4.099 -5.009 1.00 0.00 O ATOM 1367 CB LEU A 91 92.780 7.354 -4.074 1.00 0.00 C ATOM 1368 CG LEU A 91 92.707 8.026 -2.707 1.00 0.00 C ATOM 1369 CD1 LEU A 91 94.118 8.366 -2.224 1.00 0.00 C ATOM 1370 CD2 LEU A 91 91.884 9.311 -2.817 1.00 0.00 C ATOM 0 H LEU A 91 95.234 7.510 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 91 93.488 5.604 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.161 8.055 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 91 91.783 7.056 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 91 92.235 7.348 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 91 94.062 8.846 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 91 94.706 7.452 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 91 94.592 9.043 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 91 91.830 9.793 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 91 92.357 9.986 -3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 91 90.877 9.070 -3.159 1.00 0.00 H new ATOM 1382 N LYS A 92 93.761 5.696 -6.346 1.00 0.00 N ATOM 1383 CA LYS A 92 93.560 4.895 -7.528 1.00 0.00 C ATOM 1384 C LYS A 92 94.161 3.512 -7.312 1.00 0.00 C ATOM 1385 O LYS A 92 93.466 2.511 -7.392 1.00 0.00 O ATOM 1386 CB LYS A 92 94.207 5.564 -8.743 1.00 0.00 C ATOM 1387 CG LYS A 92 93.448 5.162 -10.009 1.00 0.00 C ATOM 1388 CD LYS A 92 94.158 5.733 -11.238 1.00 0.00 C ATOM 1389 CE LYS A 92 93.447 5.253 -12.505 1.00 0.00 C ATOM 1390 NZ LYS A 92 92.703 6.389 -13.117 1.00 0.00 N ATOM 0 H LYS A 92 94.163 6.619 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 92 92.490 4.800 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 92 94.193 6.648 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.252 5.266 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 92 93.391 4.076 -10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 92 92.424 5.532 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 92 94.158 6.822 -11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.200 5.415 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 92 94.173 4.856 -13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 92 92.760 4.442 -12.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 92.219 6.063 -13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 92.000 6.748 -12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 93.369 7.149 -13.361 1.00 0.00 H new ATOM 1404 N LYS A 93 95.451 3.461 -7.012 1.00 0.00 N ATOM 1405 CA LYS A 93 96.107 2.180 -6.777 1.00 0.00 C ATOM 1406 C LYS A 93 95.455 1.435 -5.626 1.00 0.00 C ATOM 1407 O LYS A 93 94.981 0.318 -5.790 1.00 0.00 O ATOM 1408 CB LYS A 93 97.597 2.375 -6.483 1.00 0.00 C ATOM 1409 CG LYS A 93 98.314 1.027 -6.587 1.00 0.00 C ATOM 1410 CD LYS A 93 99.365 0.920 -5.480 1.00 0.00 C ATOM 1411 CE LYS A 93 100.427 2.003 -5.678 1.00 0.00 C ATOM 1412 NZ LYS A 93 101.574 1.748 -4.761 1.00 0.00 N ATOM 0 H LYS A 93 96.057 4.277 -6.926 1.00 0.00 H new ATOM 0 HA LYS A 93 95.999 1.587 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 93 98.029 3.085 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.731 2.795 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.594 0.213 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 93 98.788 0.930 -7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 93 98.893 1.033 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 93 99.828 -0.066 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 93 100.769 2.007 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 93 100.000 2.986 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 102.296 2.484 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 101.241 1.765 -3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 101.986 0.816 -4.971 1.00 0.00 H new ATOM 1426 N ARG A 94 95.437 2.057 -4.464 1.00 0.00 N ATOM 1427 CA ARG A 94 94.842 1.418 -3.290 1.00 0.00 C ATOM 1428 C ARG A 94 93.408 1.001 -3.576 1.00 0.00 C ATOM 1429 O ARG A 94 93.059 -0.169 -3.447 1.00 0.00 O ATOM 1430 CB ARG A 94 94.865 2.352 -2.079 1.00 0.00 C ATOM 1431 CG ARG A 94 96.313 2.686 -1.717 1.00 0.00 C ATOM 1432 CD ARG A 94 96.836 1.665 -0.706 1.00 0.00 C ATOM 1433 NE ARG A 94 98.285 1.552 -0.811 1.00 0.00 N ATOM 1434 CZ ARG A 94 99.078 2.558 -0.455 1.00 0.00 C ATOM 1435 NH1 ARG A 94 98.563 3.662 0.011 1.00 0.00 N ATOM 1436 NH2 ARG A 94 100.373 2.439 -0.568 1.00 0.00 N ATOM 0 H ARG A 94 95.819 2.989 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 94 95.438 0.534 -3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 94 94.315 3.266 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.368 1.879 -1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 94 96.934 2.677 -2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 94 96.372 3.691 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 94 96.559 1.968 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 94 96.374 0.694 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 94 98.697 0.688 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.551 3.754 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 94 99.172 4.433 0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 94 100.776 1.574 -0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 94 100.982 3.211 -0.295 1.00 0.00 H new ATOM 1450 N LEU A 95 92.578 1.962 -3.956 1.00 0.00 N ATOM 1451 CA LEU A 95 91.182 1.670 -4.245 1.00 0.00 C ATOM 1452 C LEU A 95 91.056 0.765 -5.461 1.00 0.00 C ATOM 1453 O LEU A 95 90.405 -0.260 -5.388 1.00 0.00 O ATOM 1454 CB LEU A 95 90.396 2.962 -4.485 1.00 0.00 C ATOM 1455 CG LEU A 95 90.547 3.906 -3.287 1.00 0.00 C ATOM 1456 CD1 LEU A 95 89.576 5.076 -3.441 1.00 0.00 C ATOM 1457 CD2 LEU A 95 90.241 3.160 -1.986 1.00 0.00 C ATOM 0 H LEU A 95 92.843 2.940 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 95 90.767 1.156 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.755 3.452 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.343 2.731 -4.644 1.00 0.00 H new ATOM 0 HG LEU A 95 91.571 4.276 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 95 89.680 5.750 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 95 89.800 5.616 -4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 95 88.554 4.698 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 95 90.351 3.841 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 95 89.219 2.781 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.934 2.326 -1.873 1.00 0.00 H new ATOM 1469 N GLN A 96 91.669 1.143 -6.577 1.00 0.00 N ATOM 1470 CA GLN A 96 91.572 0.316 -7.785 1.00 0.00 C ATOM 1471 C GLN A 96 92.178 -1.060 -7.554 1.00 0.00 C ATOM 1472 O GLN A 96 91.644 -2.060 -8.021 1.00 0.00 O ATOM 1473 CB GLN A 96 92.252 0.977 -8.989 1.00 0.00 C ATOM 1474 CG GLN A 96 91.768 0.302 -10.274 1.00 0.00 C ATOM 1475 CD GLN A 96 90.787 1.213 -11.002 1.00 0.00 C ATOM 1476 OE1 GLN A 96 89.655 0.816 -11.277 1.00 0.00 O ATOM 1477 NE2 GLN A 96 91.155 2.420 -11.331 1.00 0.00 N ATOM 0 H GLN A 96 92.225 1.992 -6.676 1.00 0.00 H new ATOM 0 HA GLN A 96 90.510 0.210 -8.007 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.020 2.042 -9.014 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.335 0.889 -8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 96 92.617 0.078 -10.919 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.289 -0.648 -10.038 1.00 0.00 H new ATOM 0 HE21 GLN A 96 92.094 2.747 -11.102 1.00 0.00 H new ATOM 0 HE22 GLN A 96 90.504 3.037 -11.817 1.00 0.00 H new ATOM 1486 N LEU A 97 93.283 -1.114 -6.822 1.00 0.00 N ATOM 1487 CA LEU A 97 93.923 -2.395 -6.533 1.00 0.00 C ATOM 1488 C LEU A 97 93.108 -3.134 -5.486 1.00 0.00 C ATOM 1489 O LEU A 97 92.818 -4.321 -5.631 1.00 0.00 O ATOM 1490 CB LEU A 97 95.356 -2.204 -6.030 1.00 0.00 C ATOM 1491 CG LEU A 97 96.059 -3.563 -5.988 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.713 -3.844 -7.341 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.132 -3.547 -4.897 1.00 0.00 C ATOM 0 H LEU A 97 93.751 -0.301 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 97 93.966 -2.974 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.897 -1.521 -6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.349 -1.754 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 97 95.329 -4.342 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 97 97.213 -4.812 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.949 -3.855 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.443 -3.065 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 97 97.634 -4.514 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.861 -2.767 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.666 -3.348 -3.932 1.00 0.00 H new ATOM 1505 N GLU A 98 92.711 -2.411 -4.444 1.00 0.00 N ATOM 1506 CA GLU A 98 91.896 -2.999 -3.396 1.00 0.00 C ATOM 1507 C GLU A 98 90.534 -3.343 -3.975 1.00 0.00 C ATOM 1508 O GLU A 98 89.926 -4.343 -3.608 1.00 0.00 O ATOM 1509 CB GLU A 98 91.736 -2.032 -2.218 1.00 0.00 C ATOM 1510 CG GLU A 98 90.957 -2.720 -1.093 1.00 0.00 C ATOM 1511 CD GLU A 98 89.469 -2.410 -1.216 1.00 0.00 C ATOM 1512 OE1 GLU A 98 88.784 -3.156 -1.894 1.00 0.00 O ATOM 1513 OE2 GLU A 98 89.038 -1.431 -0.630 1.00 0.00 O ATOM 0 H GLU A 98 92.939 -1.427 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 98 92.385 -3.900 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 98 92.715 -1.717 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 98 91.211 -1.133 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 98 91.116 -3.797 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 98 91.327 -2.382 -0.125 1.00 0.00 H new ATOM 1520 N PHE A 99 90.072 -2.504 -4.899 1.00 0.00 N ATOM 1521 CA PHE A 99 88.785 -2.729 -5.550 1.00 0.00 C ATOM 1522 C PHE A 99 88.951 -3.779 -6.622 1.00 0.00 C ATOM 1523 O PHE A 99 88.117 -4.662 -6.766 1.00 0.00 O ATOM 1524 CB PHE A 99 88.252 -1.459 -6.197 1.00 0.00 C ATOM 1525 CG PHE A 99 87.896 -0.401 -5.155 1.00 0.00 C ATOM 1526 CD1 PHE A 99 88.187 -0.575 -3.783 1.00 0.00 C ATOM 1527 CD2 PHE A 99 87.258 0.771 -5.575 1.00 0.00 C ATOM 1528 CE1 PHE A 99 87.839 0.418 -2.861 1.00 0.00 C ATOM 1529 CE2 PHE A 99 86.911 1.758 -4.646 1.00 0.00 C ATOM 1530 CZ PHE A 99 87.201 1.582 -3.292 1.00 0.00 C ATOM 0 H PHE A 99 90.566 -1.668 -5.212 1.00 0.00 H new ATOM 0 HA PHE A 99 88.076 -3.053 -4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.999 -1.058 -6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 99 87.369 -1.696 -6.791 1.00 0.00 H new ATOM 0 HD1 PHE A 99 88.679 -1.476 -3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 99 87.032 0.915 -6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 99 88.065 0.284 -1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 99 86.417 2.659 -4.978 1.00 0.00 H new ATOM 0 HZ PHE A 99 86.932 2.346 -2.578 1.00 0.00 H new ATOM 1540 N THR A 100 90.050 -3.694 -7.360 1.00 0.00 N ATOM 1541 CA THR A 100 90.309 -4.687 -8.385 1.00 0.00 C ATOM 1542 C THR A 100 90.559 -5.997 -7.676 1.00 0.00 C ATOM 1543 O THR A 100 90.173 -7.059 -8.146 1.00 0.00 O ATOM 1544 CB THR A 100 91.522 -4.313 -9.233 1.00 0.00 C ATOM 1545 OG1 THR A 100 91.233 -3.147 -9.991 1.00 0.00 O ATOM 1546 CG2 THR A 100 91.857 -5.467 -10.178 1.00 0.00 C ATOM 0 H THR A 100 90.758 -2.966 -7.270 1.00 0.00 H new ATOM 0 HA THR A 100 89.457 -4.755 -9.062 1.00 0.00 H new ATOM 0 HB THR A 100 92.373 -4.117 -8.581 1.00 0.00 H new ATOM 0 HG1 THR A 100 90.846 -2.464 -9.405 1.00 0.00 H new ATOM 0 HG21 THR A 100 92.723 -5.201 -10.784 1.00 0.00 H new ATOM 0 HG22 THR A 100 92.082 -6.360 -9.596 1.00 0.00 H new ATOM 0 HG23 THR A 100 91.005 -5.663 -10.829 1.00 0.00 H new ATOM 1554 N GLN A 101 91.179 -5.896 -6.504 1.00 0.00 N ATOM 1555 CA GLN A 101 91.437 -7.076 -5.698 1.00 0.00 C ATOM 1556 C GLN A 101 90.123 -7.535 -5.082 1.00 0.00 C ATOM 1557 O GLN A 101 89.729 -8.690 -5.217 1.00 0.00 O ATOM 1558 CB GLN A 101 92.448 -6.759 -4.594 1.00 0.00 C ATOM 1559 CG GLN A 101 92.663 -8.001 -3.726 1.00 0.00 C ATOM 1560 CD GLN A 101 93.847 -7.784 -2.790 1.00 0.00 C ATOM 1561 OE1 GLN A 101 93.700 -7.875 -1.571 1.00 0.00 O ATOM 1562 NE2 GLN A 101 95.019 -7.503 -3.290 1.00 0.00 N ATOM 0 H GLN A 101 91.507 -5.019 -6.098 1.00 0.00 H new ATOM 0 HA GLN A 101 91.854 -7.864 -6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.394 -6.441 -5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.087 -5.933 -3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 101 91.764 -8.210 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 101 92.843 -8.870 -4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 101 95.138 -7.428 -4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 101 95.816 -7.358 -2.671 1.00 0.00 H new ATOM 1571 N ALA A 102 89.428 -6.607 -4.432 1.00 0.00 N ATOM 1572 CA ALA A 102 88.140 -6.920 -3.827 1.00 0.00 C ATOM 1573 C ALA A 102 87.163 -7.348 -4.908 1.00 0.00 C ATOM 1574 O ALA A 102 86.330 -8.221 -4.692 1.00 0.00 O ATOM 1575 CB ALA A 102 87.583 -5.709 -3.079 1.00 0.00 C ATOM 0 H ALA A 102 89.732 -5.641 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 102 88.279 -7.732 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.621 -5.966 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.278 -5.416 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.452 -4.880 -3.775 1.00 0.00 H new ATOM 1581 N GLU A 103 87.282 -6.732 -6.076 1.00 0.00 N ATOM 1582 CA GLU A 103 86.411 -7.067 -7.195 1.00 0.00 C ATOM 1583 C GLU A 103 86.869 -8.360 -7.843 1.00 0.00 C ATOM 1584 O GLU A 103 86.089 -9.295 -8.018 1.00 0.00 O ATOM 1585 CB GLU A 103 86.440 -5.953 -8.240 1.00 0.00 C ATOM 1586 CG GLU A 103 85.526 -6.326 -9.409 1.00 0.00 C ATOM 1587 CD GLU A 103 84.933 -5.067 -10.032 1.00 0.00 C ATOM 1588 OE1 GLU A 103 85.556 -4.024 -9.919 1.00 0.00 O ATOM 1589 OE2 GLU A 103 83.865 -5.164 -10.615 1.00 0.00 O ATOM 0 H GLU A 103 87.968 -6.003 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 103 85.396 -7.185 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 103 86.113 -5.013 -7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.459 -5.800 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 103 86.090 -6.881 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.727 -6.981 -9.061 1.00 0.00 H new ATOM 1596 N ARG A 104 88.144 -8.397 -8.203 1.00 0.00 N ATOM 1597 CA ARG A 104 88.704 -9.588 -8.846 1.00 0.00 C ATOM 1598 C ARG A 104 88.757 -10.765 -7.872 1.00 0.00 C ATOM 1599 O ARG A 104 88.290 -11.860 -8.187 1.00 0.00 O ATOM 1600 CB ARG A 104 90.110 -9.306 -9.383 1.00 0.00 C ATOM 1601 CG ARG A 104 90.561 -10.469 -10.269 1.00 0.00 C ATOM 1602 CD ARG A 104 92.082 -10.434 -10.426 1.00 0.00 C ATOM 1603 NE ARG A 104 92.719 -11.158 -9.331 1.00 0.00 N ATOM 1604 CZ ARG A 104 93.947 -11.650 -9.454 1.00 0.00 C ATOM 1605 NH1 ARG A 104 94.607 -11.487 -10.568 1.00 0.00 N ATOM 1606 NH2 ARG A 104 94.494 -12.294 -8.461 1.00 0.00 N ATOM 0 H ARG A 104 88.805 -7.632 -8.066 1.00 0.00 H new ATOM 0 HA ARG A 104 88.050 -9.849 -9.678 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.113 -8.378 -9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.807 -9.174 -8.556 1.00 0.00 H new ATOM 0 HG2 ARG A 104 90.253 -11.417 -9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 104 90.083 -10.402 -11.246 1.00 0.00 H new ATOM 0 HD2 ARG A 104 92.367 -10.879 -11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 104 92.430 -9.401 -10.439 1.00 0.00 H new ATOM 0 HE ARG A 104 92.212 -11.289 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 104 94.180 -10.982 -11.344 1.00 0.00 H new ATOM 0 HH12 ARG A 104 95.550 -11.865 -10.662 1.00 0.00 H new ATOM 0 HH21 ARG A 104 93.979 -12.420 -7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 104 95.437 -12.672 -8.556 1.00 0.00 H new ATOM 1620 N SER A 105 89.338 -10.541 -6.697 1.00 0.00 N ATOM 1621 CA SER A 105 89.451 -11.607 -5.704 1.00 0.00 C ATOM 1622 C SER A 105 88.082 -12.171 -5.336 1.00 0.00 C ATOM 1623 O SER A 105 87.862 -13.379 -5.434 1.00 0.00 O ATOM 1624 CB SER A 105 90.146 -11.096 -4.440 1.00 0.00 C ATOM 1625 OG SER A 105 90.582 -12.207 -3.668 1.00 0.00 O ATOM 0 H SER A 105 89.733 -9.645 -6.411 1.00 0.00 H new ATOM 0 HA SER A 105 90.048 -12.403 -6.149 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.995 -10.466 -4.706 1.00 0.00 H new ATOM 0 HB3 SER A 105 89.462 -10.479 -3.858 1.00 0.00 H new ATOM 0 HG SER A 105 91.030 -11.886 -2.857 1.00 0.00 H new ATOM 1631 N ILE A 106 87.164 -11.309 -4.904 1.00 0.00 N ATOM 1632 CA ILE A 106 85.833 -11.784 -4.523 1.00 0.00 C ATOM 1633 C ILE A 106 85.147 -12.477 -5.697 1.00 0.00 C ATOM 1634 O ILE A 106 84.337 -13.384 -5.505 1.00 0.00 O ATOM 1635 CB ILE A 106 84.958 -10.628 -4.037 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.605 -9.970 -2.815 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.579 -11.167 -3.651 1.00 0.00 C ATOM 1638 CD1 ILE A 106 85.142 -10.684 -1.542 1.00 0.00 C ATOM 0 H ILE A 106 87.309 -10.304 -4.810 1.00 0.00 H new ATOM 0 HA ILE A 106 85.961 -12.499 -3.710 1.00 0.00 H new ATOM 0 HB ILE A 106 84.856 -9.890 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.691 -10.017 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.334 -8.915 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 106 82.952 -10.346 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 106 83.116 -11.636 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.686 -11.904 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.603 -10.215 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 106 84.057 -10.614 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 106 85.435 -11.733 -1.586 1.00 0.00 H new ATOM 1650 N GLU A 107 85.470 -12.045 -6.912 1.00 0.00 N ATOM 1651 CA GLU A 107 84.870 -12.635 -8.104 1.00 0.00 C ATOM 1652 C GLU A 107 85.237 -14.111 -8.220 1.00 0.00 C ATOM 1653 O GLU A 107 84.638 -14.849 -9.002 1.00 0.00 O ATOM 1654 CB GLU A 107 85.344 -11.889 -9.354 1.00 0.00 C ATOM 1655 CG GLU A 107 84.231 -10.963 -9.845 1.00 0.00 C ATOM 1656 CD GLU A 107 83.068 -11.786 -10.388 1.00 0.00 C ATOM 1657 OE1 GLU A 107 83.291 -12.555 -11.308 1.00 0.00 O ATOM 1658 OE2 GLU A 107 81.970 -11.635 -9.876 1.00 0.00 O ATOM 0 H GLU A 107 86.137 -11.296 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 107 83.787 -12.549 -8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 107 86.240 -11.311 -9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.612 -12.600 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 107 83.888 -10.329 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 107 84.614 -10.302 -10.623 1.00 0.00 H new ATOM 1665 N ARG A 108 86.223 -14.536 -7.438 1.00 0.00 N ATOM 1666 CA ARG A 108 86.657 -15.928 -7.466 1.00 0.00 C ATOM 1667 C ARG A 108 87.285 -16.264 -8.813 1.00 0.00 C ATOM 1668 O ARG A 108 87.364 -17.431 -9.199 1.00 0.00 O ATOM 1669 CB ARG A 108 85.463 -16.852 -7.211 1.00 0.00 C ATOM 1670 CG ARG A 108 85.938 -18.102 -6.467 1.00 0.00 C ATOM 1671 CD ARG A 108 84.816 -19.142 -6.446 1.00 0.00 C ATOM 1672 NE ARG A 108 84.549 -19.624 -7.796 1.00 0.00 N ATOM 1673 CZ ARG A 108 83.465 -20.343 -8.065 1.00 0.00 C ATOM 1674 NH1 ARG A 108 82.617 -20.629 -7.114 1.00 0.00 N ATOM 1675 NH2 ARG A 108 83.248 -20.765 -9.281 1.00 0.00 N ATOM 0 H ARG A 108 86.733 -13.943 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 108 87.402 -16.074 -6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 108 84.705 -16.332 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 108 84.998 -17.132 -8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 108 86.821 -18.514 -6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 108 86.228 -17.844 -5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 108 85.096 -19.976 -5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 108 83.912 -18.704 -6.023 1.00 0.00 H new ATOM 0 HE ARG A 108 85.205 -19.406 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 108 82.787 -20.300 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 108 81.785 -21.181 -7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 108 83.911 -20.543 -10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 108 82.416 -21.317 -9.488 1.00 0.00 H new ATOM 1689 N GLY A 109 87.731 -15.235 -9.526 1.00 0.00 N ATOM 1690 CA GLY A 109 88.352 -15.435 -10.831 1.00 0.00 C ATOM 1691 C GLY A 109 89.871 -15.441 -10.713 1.00 0.00 C ATOM 1692 O GLY A 109 90.570 -14.830 -11.522 1.00 0.00 O ATOM 0 H GLY A 109 87.675 -14.262 -9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 109 88.012 -16.378 -11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 109 88.039 -14.644 -11.513 1.00 0.00 H new ATOM 1696 N VAL A 110 90.374 -16.137 -9.700 1.00 0.00 N ATOM 1697 CA VAL A 110 91.813 -16.219 -9.481 1.00 0.00 C ATOM 1698 C VAL A 110 92.443 -17.233 -10.430 1.00 0.00 C ATOM 1699 O VAL A 110 91.950 -18.347 -10.487 1.00 0.00 O ATOM 1700 CB VAL A 110 92.097 -16.628 -8.034 1.00 0.00 C ATOM 1701 CG1 VAL A 110 93.590 -16.468 -7.742 1.00 0.00 C ATOM 1702 CG2 VAL A 110 91.296 -15.734 -7.086 1.00 0.00 C ATOM 1703 OXT VAL A 110 93.409 -16.880 -11.086 1.00 0.00 O ATOM 0 H VAL A 110 89.811 -16.650 -9.021 1.00 0.00 H new ATOM 0 HA VAL A 110 92.248 -15.238 -9.675 1.00 0.00 H new ATOM 0 HB VAL A 110 91.807 -17.668 -7.887 1.00 0.00 H new ATOM 0 HG11 VAL A 110 93.792 -16.759 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.163 -17.103 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.880 -15.428 -7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 110 91.497 -16.024 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 110 91.587 -14.694 -7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 110 90.232 -15.846 -7.293 1.00 0.00 H new TER 1713 VAL A 110