USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 27 GLN : amide:sc= -12! C(o=-13!,f=-15!) USER MOD Set 1.2: A 32 TYR OH : rot -30:sc= -0.792 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -70:sc= 0.0991! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 57:sc= 0.0264 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -170:sc= -1.13! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0381 USER MOD Single : A 36 GLN : amide:sc= -1.84 K(o=-1.8,f=-6.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.068 F(o=-2.6!,f=-0.068) USER MOD Single : A 53 SER OG : rot -90:sc= -1.89 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -45:sc= -5.4! USER MOD Single : A 60 ASN : amide:sc= -0.0439 K(o=-0.044,f=-1.6!) USER MOD Single : A 62 SER OG : rot 180:sc= -1 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -150:sc=-0.00473 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 90:sc= -6.26! USER MOD Single : A 72 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 51:sc= -2.5! USER MOD Single : A 89 THR OG1 : rot -24:sc= 0.165 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.235 K(o=-0.24,f=-2.6!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -2.1 X(o=-2.1,f=-1.8) USER MOD Single : A 111 SER OG : rot -98:sc= -0.152! USER MOD Single : A 113 ASN : amide:sc= -0.498 K(o=-0.5,f=-1.1) USER MOD Single : A 130 NCZ O2 : rot -114:sc= 0.944 USER MOD Single : A 130 NCZ O5 : rot 180:sc= 0 USER MOD Single : A 130 NCZ O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.645 3.810 11.294 1.00 0.00 N ATOM 2 CA ALA A 1 -15.141 2.838 12.255 1.00 0.00 C ATOM 3 C ALA A 1 -14.923 1.426 11.707 1.00 0.00 C ATOM 4 O ALA A 1 -15.878 0.674 11.522 1.00 0.00 O ATOM 5 CB ALA A 1 -16.614 3.125 12.555 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.792 4.771 11.664 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.630 3.653 11.134 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.158 3.703 10.396 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.594 2.914 13.195 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.987 2.397 13.275 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.712 4.128 12.969 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.193 3.054 11.634 1.00 0.00 H new ATOM 11 N ALA A 2 -13.659 1.110 11.460 1.00 0.00 N ATOM 12 CA ALA A 2 -13.303 -0.197 10.938 1.00 0.00 C ATOM 13 C ALA A 2 -11.802 -0.235 10.649 1.00 0.00 C ATOM 14 O ALA A 2 -11.125 0.790 10.728 1.00 0.00 O ATOM 15 CB ALA A 2 -14.144 -0.496 9.694 1.00 0.00 C ATOM 0 H ALA A 2 -12.870 1.738 11.612 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.517 -0.974 11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.877 -1.477 9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.201 -0.486 9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.953 0.263 8.935 1.00 0.00 H new ATOM 21 N PRO A 3 -11.311 -1.459 10.315 1.00 0.00 N ATOM 22 CA PRO A 3 -9.901 -1.642 10.013 1.00 0.00 C ATOM 23 C PRO A 3 -9.559 -1.087 8.629 1.00 0.00 C ATOM 24 O PRO A 3 -8.390 -1.039 8.247 1.00 0.00 O ATOM 25 CB PRO A 3 -9.667 -3.140 10.128 1.00 0.00 C ATOM 26 CG PRO A 3 -11.041 -3.785 10.030 1.00 0.00 C ATOM 27 CD PRO A 3 -12.083 -2.694 10.213 1.00 0.00 C ATOM 0 HA PRO A 3 -9.250 -1.096 10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.011 -3.495 9.333 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.185 -3.389 11.074 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.165 -4.273 9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.156 -4.555 10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.774 -2.661 9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.680 -2.863 11.109 1.00 0.00 H new ATOM 35 N THR A 4 -10.598 -0.679 7.917 1.00 0.00 N ATOM 36 CA THR A 4 -10.421 -0.130 6.584 1.00 0.00 C ATOM 37 C THR A 4 -9.780 -1.166 5.660 1.00 0.00 C ATOM 38 O THR A 4 -10.007 -2.365 5.815 1.00 0.00 O ATOM 39 CB THR A 4 -9.605 1.160 6.709 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.252 0.722 6.639 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.723 1.795 8.095 1.00 0.00 C ATOM 0 H THR A 4 -11.565 -0.717 8.238 1.00 0.00 H new ATOM 0 HA THR A 4 -11.380 0.116 6.128 1.00 0.00 H new ATOM 0 HB THR A 4 -9.936 1.874 5.955 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.025 0.230 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.126 2.706 8.130 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.766 2.037 8.297 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.361 1.095 8.848 1.00 0.00 H new ATOM 49 N ALA A 5 -8.995 -0.667 4.716 1.00 0.00 N ATOM 50 CA ALA A 5 -8.321 -1.535 3.767 1.00 0.00 C ATOM 51 C ALA A 5 -7.144 -2.224 4.459 1.00 0.00 C ATOM 52 O ALA A 5 -6.218 -1.561 4.925 1.00 0.00 O ATOM 53 CB ALA A 5 -7.884 -0.717 2.550 1.00 0.00 C ATOM 0 H ALA A 5 -8.811 0.328 4.589 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.996 -2.314 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.378 -1.368 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.760 -0.272 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.203 0.072 2.868 1.00 0.00 H new ATOM 59 N THR A 6 -7.217 -3.546 4.505 1.00 0.00 N ATOM 60 CA THR A 6 -6.169 -4.333 5.132 1.00 0.00 C ATOM 61 C THR A 6 -5.977 -5.656 4.390 1.00 0.00 C ATOM 62 O THR A 6 -6.937 -6.231 3.880 1.00 0.00 O ATOM 63 CB THR A 6 -6.532 -4.512 6.609 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.953 -4.602 6.607 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.238 -3.262 7.438 1.00 0.00 C ATOM 0 H THR A 6 -7.986 -4.092 4.118 1.00 0.00 H new ATOM 0 HA THR A 6 -5.207 -3.824 5.077 1.00 0.00 H new ATOM 0 HB THR A 6 -5.980 -5.358 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.275 -4.721 7.525 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.513 -3.442 8.477 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.175 -3.028 7.379 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.816 -2.423 7.049 1.00 0.00 H new ATOM 73 N VAL A 7 -4.730 -6.100 4.351 1.00 0.00 N ATOM 74 CA VAL A 7 -4.400 -7.346 3.678 1.00 0.00 C ATOM 75 C VAL A 7 -4.853 -8.523 4.542 1.00 0.00 C ATOM 76 O VAL A 7 -4.758 -8.472 5.767 1.00 0.00 O ATOM 77 CB VAL A 7 -2.906 -7.385 3.353 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.622 -8.336 2.188 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.370 -5.983 3.058 1.00 0.00 C ATOM 0 H VAL A 7 -3.936 -5.620 4.774 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.929 -7.418 2.727 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.384 -7.765 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.552 -8.345 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.948 -9.342 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.163 -8.000 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.306 -6.041 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.901 -5.562 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.521 -5.345 3.929 1.00 0.00 H new ATOM 89 N THR A 8 -5.340 -9.557 3.872 1.00 0.00 N ATOM 90 CA THR A 8 -5.809 -10.746 4.560 1.00 0.00 C ATOM 91 C THR A 8 -4.769 -11.219 5.577 1.00 0.00 C ATOM 92 O THR A 8 -5.059 -11.323 6.767 1.00 0.00 O ATOM 93 CB THR A 8 -6.156 -11.800 3.508 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.580 -11.807 3.479 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.785 -13.216 3.952 1.00 0.00 C ATOM 0 H THR A 8 -5.420 -9.595 2.856 1.00 0.00 H new ATOM 0 HA THR A 8 -6.710 -10.538 5.137 1.00 0.00 H new ATOM 0 HB THR A 8 -5.640 -11.565 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.891 -12.463 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.053 -13.925 3.168 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.712 -13.269 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.325 -13.464 4.866 1.00 0.00 H new ATOM 103 N PRO A 9 -3.545 -11.503 5.053 1.00 0.00 N ATOM 104 CA PRO A 9 -2.458 -11.964 5.901 1.00 0.00 C ATOM 105 C PRO A 9 -1.878 -10.813 6.723 1.00 0.00 C ATOM 106 O PRO A 9 -2.523 -9.779 6.893 1.00 0.00 O ATOM 107 CB PRO A 9 -1.448 -12.578 4.945 1.00 0.00 C ATOM 108 CG PRO A 9 -1.788 -12.029 3.570 1.00 0.00 C ATOM 109 CD PRO A 9 -3.167 -11.394 3.648 1.00 0.00 C ATOM 0 HA PRO A 9 -2.783 -12.695 6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.430 -12.314 5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.510 -13.666 4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.046 -11.293 3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.777 -12.827 2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.143 -10.354 3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.879 -11.912 3.005 1.00 0.00 H new ATOM 117 N SER A 10 -0.665 -11.027 7.211 1.00 0.00 N ATOM 118 CA SER A 10 0.009 -10.018 8.012 1.00 0.00 C ATOM 119 C SER A 10 1.475 -9.907 7.586 1.00 0.00 C ATOM 120 O SER A 10 1.988 -8.804 7.406 1.00 0.00 O ATOM 121 CB SER A 10 -0.085 -10.347 9.505 1.00 0.00 C ATOM 122 OG SER A 10 -1.092 -9.577 10.156 1.00 0.00 O ATOM 0 H SER A 10 -0.131 -11.884 7.067 1.00 0.00 H new ATOM 0 HA SER A 10 -0.486 -9.061 7.846 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.302 -11.408 9.630 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.878 -10.160 9.979 1.00 0.00 H new ATOM 0 HG SER A 10 -1.123 -9.816 11.106 1.00 0.00 H new ATOM 128 N SER A 11 2.105 -11.063 7.438 1.00 0.00 N ATOM 129 CA SER A 11 3.500 -11.108 7.036 1.00 0.00 C ATOM 130 C SER A 11 3.639 -10.676 5.575 1.00 0.00 C ATOM 131 O SER A 11 4.117 -11.440 4.740 1.00 0.00 O ATOM 132 CB SER A 11 4.086 -12.509 7.233 1.00 0.00 C ATOM 133 OG SER A 11 3.274 -13.516 6.636 1.00 0.00 O ATOM 0 H SER A 11 1.675 -11.975 7.589 1.00 0.00 H new ATOM 0 HA SER A 11 4.059 -10.417 7.667 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.086 -12.547 6.802 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.190 -12.712 8.299 1.00 0.00 H new ATOM 0 HG SER A 11 3.163 -13.323 5.682 1.00 0.00 H new ATOM 139 N GLY A 12 3.211 -9.448 5.313 1.00 0.00 N ATOM 140 CA GLY A 12 3.282 -8.906 3.965 1.00 0.00 C ATOM 141 C GLY A 12 4.682 -9.083 3.375 1.00 0.00 C ATOM 142 O GLY A 12 4.860 -9.018 2.161 1.00 0.00 O ATOM 0 H GLY A 12 2.815 -8.815 6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.550 -9.405 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.021 -7.848 3.981 1.00 0.00 H new ATOM 146 N LEU A 13 5.641 -9.304 4.264 1.00 0.00 N ATOM 147 CA LEU A 13 7.021 -9.490 3.845 1.00 0.00 C ATOM 148 C LEU A 13 7.152 -10.832 3.123 1.00 0.00 C ATOM 149 O LEU A 13 7.906 -11.702 3.555 1.00 0.00 O ATOM 150 CB LEU A 13 7.966 -9.337 5.038 1.00 0.00 C ATOM 151 CG LEU A 13 8.176 -10.590 5.893 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.463 -11.314 5.497 1.00 0.00 C ATOM 153 CD2 LEU A 13 8.144 -10.248 7.383 1.00 0.00 C ATOM 0 H LEU A 13 5.490 -9.358 5.271 1.00 0.00 H new ATOM 0 HA LEU A 13 7.313 -8.716 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.937 -9.007 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.583 -8.543 5.680 1.00 0.00 H new ATOM 0 HG LEU A 13 7.351 -11.276 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.588 -12.200 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.406 -11.611 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.314 -10.648 5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.296 -11.155 7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.936 -9.534 7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.178 -9.811 7.635 1.00 0.00 H new ATOM 165 N SER A 14 6.408 -10.957 2.035 1.00 0.00 N ATOM 166 CA SER A 14 6.431 -12.177 1.247 1.00 0.00 C ATOM 167 C SER A 14 6.645 -11.844 -0.231 1.00 0.00 C ATOM 168 O SER A 14 5.912 -11.039 -0.800 1.00 0.00 O ATOM 169 CB SER A 14 5.139 -12.976 1.429 1.00 0.00 C ATOM 170 OG SER A 14 5.391 -14.312 1.859 1.00 0.00 O ATOM 0 H SER A 14 5.784 -10.232 1.680 1.00 0.00 H new ATOM 0 HA SER A 14 7.260 -12.793 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.503 -12.475 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.590 -12.996 0.488 1.00 0.00 H new ATOM 0 HG SER A 14 4.541 -14.787 1.965 1.00 0.00 H new ATOM 176 N ASP A 15 7.654 -12.482 -0.808 1.00 0.00 N ATOM 177 CA ASP A 15 7.975 -12.262 -2.207 1.00 0.00 C ATOM 178 C ASP A 15 6.679 -12.054 -2.997 1.00 0.00 C ATOM 179 O ASP A 15 6.049 -13.018 -3.429 1.00 0.00 O ATOM 180 CB ASP A 15 8.701 -13.470 -2.803 1.00 0.00 C ATOM 181 CG ASP A 15 10.206 -13.517 -2.533 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.568 -13.954 -1.420 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.959 -13.114 -3.444 1.00 0.00 O ATOM 0 H ASP A 15 8.259 -13.151 -0.331 1.00 0.00 H new ATOM 0 HA ASP A 15 8.620 -11.386 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.248 -14.379 -2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.540 -13.476 -3.881 1.00 0.00 H new ATOM 189 N GLY A 16 6.319 -10.789 -3.158 1.00 0.00 N ATOM 190 CA GLY A 16 5.110 -10.442 -3.885 1.00 0.00 C ATOM 191 C GLY A 16 3.959 -11.382 -3.518 1.00 0.00 C ATOM 192 O GLY A 16 3.509 -12.172 -4.346 1.00 0.00 O ATOM 0 H GLY A 16 6.843 -9.992 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.829 -9.413 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.299 -10.494 -4.957 1.00 0.00 H new ATOM 196 N THR A 17 3.517 -11.265 -2.275 1.00 0.00 N ATOM 197 CA THR A 17 2.428 -12.093 -1.786 1.00 0.00 C ATOM 198 C THR A 17 1.089 -11.588 -2.328 1.00 0.00 C ATOM 199 O THR A 17 0.768 -10.408 -2.201 1.00 0.00 O ATOM 200 CB THR A 17 2.495 -12.113 -0.258 1.00 0.00 C ATOM 201 OG1 THR A 17 2.555 -13.497 0.070 1.00 0.00 O ATOM 202 CG2 THR A 17 1.196 -11.630 0.391 1.00 0.00 C ATOM 0 H THR A 17 3.894 -10.609 -1.591 1.00 0.00 H new ATOM 0 HA THR A 17 2.522 -13.119 -2.142 1.00 0.00 H new ATOM 0 HB THR A 17 3.322 -11.487 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.442 -13.609 1.037 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.297 -11.664 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.991 -10.606 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.373 -12.275 0.083 1.00 0.00 H new ATOM 210 N VAL A 18 0.343 -12.508 -2.924 1.00 0.00 N ATOM 211 CA VAL A 18 -0.953 -12.171 -3.486 1.00 0.00 C ATOM 212 C VAL A 18 -2.051 -12.556 -2.492 1.00 0.00 C ATOM 213 O VAL A 18 -2.148 -13.710 -2.082 1.00 0.00 O ATOM 214 CB VAL A 18 -1.122 -12.845 -4.851 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.029 -12.015 -5.761 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.236 -13.093 -5.511 1.00 0.00 C ATOM 0 H VAL A 18 0.612 -13.486 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.028 -11.097 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.599 -13.812 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.133 -12.515 -6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.010 -11.910 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.590 -11.028 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.088 -13.572 -6.479 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.751 -12.143 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.838 -13.741 -4.873 1.00 0.00 H new ATOM 226 N VAL A 19 -2.852 -11.562 -2.132 1.00 0.00 N ATOM 227 CA VAL A 19 -3.940 -11.781 -1.194 1.00 0.00 C ATOM 228 C VAL A 19 -5.069 -10.794 -1.491 1.00 0.00 C ATOM 229 O VAL A 19 -5.025 -10.075 -2.488 1.00 0.00 O ATOM 230 CB VAL A 19 -3.420 -11.681 0.242 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.899 -13.034 0.731 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.341 -10.602 0.361 1.00 0.00 C ATOM 0 H VAL A 19 -2.769 -10.604 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.348 -12.785 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.254 -11.392 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.535 -12.936 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.705 -13.767 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.085 -13.365 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.989 -10.552 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.507 -10.848 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.758 -9.637 0.073 1.00 0.00 H new ATOM 242 N LYS A 20 -6.056 -10.788 -0.605 1.00 0.00 N ATOM 243 CA LYS A 20 -7.196 -9.901 -0.759 1.00 0.00 C ATOM 244 C LYS A 20 -7.163 -8.840 0.342 1.00 0.00 C ATOM 245 O LYS A 20 -6.881 -9.148 1.499 1.00 0.00 O ATOM 246 CB LYS A 20 -8.497 -10.702 -0.803 1.00 0.00 C ATOM 247 CG LYS A 20 -8.384 -11.879 -1.774 1.00 0.00 C ATOM 248 CD LYS A 20 -9.516 -12.884 -1.552 1.00 0.00 C ATOM 249 CE LYS A 20 -9.044 -14.059 -0.694 1.00 0.00 C ATOM 250 NZ LYS A 20 -10.120 -14.497 0.223 1.00 0.00 N ATOM 0 H LYS A 20 -6.089 -11.384 0.222 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.142 -9.374 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.735 -11.071 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.318 -10.053 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.414 -11.513 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.422 -12.374 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.357 -12.389 -1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.875 -13.252 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.745 -14.888 -1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.165 -13.767 -0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.783 -15.295 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.386 -13.709 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.948 -14.795 -0.331 1.00 0.00 H new ATOM 264 N VAL A 21 -7.457 -7.611 -0.055 1.00 0.00 N ATOM 265 CA VAL A 21 -7.465 -6.502 0.884 1.00 0.00 C ATOM 266 C VAL A 21 -8.893 -5.978 1.037 1.00 0.00 C ATOM 267 O VAL A 21 -9.434 -5.359 0.121 1.00 0.00 O ATOM 268 CB VAL A 21 -6.478 -5.424 0.430 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.595 -4.171 1.302 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.045 -5.959 0.428 1.00 0.00 C ATOM 0 H VAL A 21 -7.692 -7.358 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.134 -6.834 1.868 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.733 -5.145 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.883 -3.421 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.606 -3.771 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.379 -4.428 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.364 -5.173 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.775 -6.279 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.974 -6.807 -0.253 1.00 0.00 H new ATOM 280 N ALA A 22 -9.467 -6.248 2.201 1.00 0.00 N ATOM 281 CA ALA A 22 -10.824 -5.811 2.486 1.00 0.00 C ATOM 282 C ALA A 22 -10.786 -4.411 3.103 1.00 0.00 C ATOM 283 O ALA A 22 -10.021 -4.160 4.033 1.00 0.00 O ATOM 284 CB ALA A 22 -11.510 -6.832 3.395 1.00 0.00 C ATOM 0 H ALA A 22 -9.017 -6.764 2.957 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.408 -5.750 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.527 -6.504 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.538 -7.801 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.954 -6.920 4.328 1.00 0.00 H new ATOM 290 N GLY A 23 -11.621 -3.537 2.561 1.00 0.00 N ATOM 291 CA GLY A 23 -11.694 -2.171 3.047 1.00 0.00 C ATOM 292 C GLY A 23 -13.058 -1.883 3.676 1.00 0.00 C ATOM 293 O GLY A 23 -13.998 -1.501 2.981 1.00 0.00 O ATOM 0 H GLY A 23 -12.253 -3.749 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.908 -2.001 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.516 -1.479 2.224 1.00 0.00 H new ATOM 297 N ALA A 24 -13.123 -2.077 4.986 1.00 0.00 N ATOM 298 CA ALA A 24 -14.358 -1.843 5.716 1.00 0.00 C ATOM 299 C ALA A 24 -14.387 -0.395 6.210 1.00 0.00 C ATOM 300 O ALA A 24 -13.469 0.049 6.898 1.00 0.00 O ATOM 301 CB ALA A 24 -14.472 -2.852 6.861 1.00 0.00 C ATOM 0 H ALA A 24 -12.341 -2.393 5.560 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.221 -1.987 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.398 -2.677 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.476 -3.864 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.624 -2.735 7.535 1.00 0.00 H new ATOM 307 N GLY A 25 -15.452 0.303 5.838 1.00 0.00 N ATOM 308 CA GLY A 25 -15.612 1.689 6.234 1.00 0.00 C ATOM 309 C GLY A 25 -14.667 2.599 5.448 1.00 0.00 C ATOM 310 O GLY A 25 -14.362 3.709 5.880 1.00 0.00 O ATOM 0 H GLY A 25 -16.211 -0.068 5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.643 2.001 6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.415 1.790 7.301 1.00 0.00 H new ATOM 314 N LEU A 26 -14.226 2.094 4.303 1.00 0.00 N ATOM 315 CA LEU A 26 -13.321 2.844 3.451 1.00 0.00 C ATOM 316 C LEU A 26 -14.134 3.772 2.545 1.00 0.00 C ATOM 317 O LEU A 26 -15.143 4.334 2.971 1.00 0.00 O ATOM 318 CB LEU A 26 -12.394 1.898 2.688 1.00 0.00 C ATOM 319 CG LEU A 26 -10.946 2.363 2.527 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.191 1.475 1.533 1.00 0.00 C ATOM 321 CD2 LEU A 26 -10.885 3.841 2.134 1.00 0.00 C ATOM 0 H LEU A 26 -14.480 1.173 3.947 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.667 3.475 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.391 0.935 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.814 1.732 1.696 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.447 2.264 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.164 1.828 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.189 0.446 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.682 1.519 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.844 4.146 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.406 3.988 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.361 4.443 2.908 1.00 0.00 H new ATOM 333 N GLN A 27 -13.663 3.906 1.315 1.00 0.00 N ATOM 334 CA GLN A 27 -14.334 4.758 0.345 1.00 0.00 C ATOM 335 C GLN A 27 -15.801 4.354 0.210 1.00 0.00 C ATOM 336 O GLN A 27 -16.143 3.514 -0.624 1.00 0.00 O ATOM 337 CB GLN A 27 -13.623 4.711 -1.008 1.00 0.00 C ATOM 338 CG GLN A 27 -12.352 5.562 -0.993 1.00 0.00 C ATOM 339 CD GLN A 27 -12.453 6.678 0.051 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.263 6.473 1.237 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.767 7.866 -0.458 1.00 0.00 N ATOM 0 H GLN A 27 -12.825 3.440 0.966 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.294 5.787 0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.371 3.680 -1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.295 5.069 -1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.490 4.931 -0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.188 5.995 -1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.913 7.968 -1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.862 8.675 0.156 1.00 0.00 H new ATOM 350 N ALA A 28 -16.631 4.967 1.039 1.00 0.00 N ATOM 351 CA ALA A 28 -18.056 4.681 1.023 1.00 0.00 C ATOM 352 C ALA A 28 -18.613 4.971 -0.372 1.00 0.00 C ATOM 353 O ALA A 28 -19.143 6.052 -0.621 1.00 0.00 O ATOM 354 CB ALA A 28 -18.755 5.500 2.110 1.00 0.00 C ATOM 0 H ALA A 28 -16.344 5.662 1.728 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.238 3.629 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.823 5.285 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.344 5.237 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.597 6.562 1.924 1.00 0.00 H new ATOM 360 N GLY A 29 -18.473 3.984 -1.247 1.00 0.00 N ATOM 361 CA GLY A 29 -18.956 4.120 -2.609 1.00 0.00 C ATOM 362 C GLY A 29 -17.975 4.930 -3.461 1.00 0.00 C ATOM 363 O GLY A 29 -18.224 5.170 -4.642 1.00 0.00 O ATOM 0 H GLY A 29 -18.032 3.088 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.096 3.133 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.930 4.609 -2.606 1.00 0.00 H new ATOM 367 N THR A 30 -16.885 5.333 -2.827 1.00 0.00 N ATOM 368 CA THR A 30 -15.867 6.114 -3.511 1.00 0.00 C ATOM 369 C THR A 30 -14.836 5.190 -4.162 1.00 0.00 C ATOM 370 O THR A 30 -14.989 3.970 -4.142 1.00 0.00 O ATOM 371 CB THR A 30 -15.259 7.086 -2.499 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.048 6.908 -1.327 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.488 8.550 -2.882 1.00 0.00 C ATOM 0 H THR A 30 -16.683 5.134 -1.847 1.00 0.00 H new ATOM 0 HA THR A 30 -16.295 6.697 -4.326 1.00 0.00 H new ATOM 0 HB THR A 30 -14.189 6.896 -2.413 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.720 7.501 -0.619 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.037 9.198 -2.130 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.032 8.748 -3.852 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.558 8.749 -2.936 1.00 0.00 H new ATOM 381 N ALA A 31 -13.808 5.809 -4.725 1.00 0.00 N ATOM 382 CA ALA A 31 -12.751 5.058 -5.381 1.00 0.00 C ATOM 383 C ALA A 31 -11.420 5.787 -5.192 1.00 0.00 C ATOM 384 O ALA A 31 -11.388 7.013 -5.099 1.00 0.00 O ATOM 385 CB ALA A 31 -13.105 4.860 -6.856 1.00 0.00 C ATOM 0 H ALA A 31 -13.685 6.821 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.650 4.068 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.312 4.297 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.043 4.310 -6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.212 5.832 -7.338 1.00 0.00 H new ATOM 391 N TYR A 32 -10.354 5.004 -5.143 1.00 0.00 N ATOM 392 CA TYR A 32 -9.021 5.560 -4.968 1.00 0.00 C ATOM 393 C TYR A 32 -7.967 4.678 -5.637 1.00 0.00 C ATOM 394 O TYR A 32 -8.299 3.787 -6.416 1.00 0.00 O ATOM 395 CB TYR A 32 -8.769 5.582 -3.458 1.00 0.00 C ATOM 396 CG TYR A 32 -9.372 6.792 -2.743 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.691 7.928 -3.459 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.595 6.748 -1.384 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.257 9.068 -2.787 1.00 0.00 C ATOM 400 CE2 TYR A 32 -10.165 7.889 -0.710 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.465 8.992 -1.445 1.00 0.00 C ATOM 402 OH TYR A 32 -11.001 10.069 -0.810 1.00 0.00 O ATOM 0 H TYR A 32 -10.385 3.987 -5.221 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.956 6.551 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.178 4.672 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.694 5.566 -3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.516 7.962 -4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.343 5.860 -0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.511 9.963 -3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.349 7.867 0.354 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.737 10.889 -1.277 1.00 0.00 H new ATOM 412 N ASP A 33 -6.713 4.957 -5.311 1.00 0.00 N ATOM 413 CA ASP A 33 -5.607 4.202 -5.869 1.00 0.00 C ATOM 414 C ASP A 33 -4.982 3.333 -4.775 1.00 0.00 C ATOM 415 O ASP A 33 -4.338 3.848 -3.863 1.00 0.00 O ATOM 416 CB ASP A 33 -4.521 5.133 -6.412 1.00 0.00 C ATOM 417 CG ASP A 33 -4.869 5.838 -7.725 1.00 0.00 C ATOM 418 OD1 ASP A 33 -4.385 6.977 -7.902 1.00 0.00 O ATOM 419 OD2 ASP A 33 -5.611 5.222 -8.520 1.00 0.00 O ATOM 0 H ASP A 33 -6.440 5.698 -4.666 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.996 3.589 -6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.302 5.889 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.608 4.555 -6.558 1.00 0.00 H new ATOM 425 N VAL A 34 -5.194 2.031 -4.904 1.00 0.00 N ATOM 426 CA VAL A 34 -4.661 1.088 -3.937 1.00 0.00 C ATOM 427 C VAL A 34 -3.174 0.863 -4.217 1.00 0.00 C ATOM 428 O VAL A 34 -2.761 0.789 -5.374 1.00 0.00 O ATOM 429 CB VAL A 34 -5.475 -0.207 -3.964 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.565 -1.426 -4.118 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.351 -0.330 -2.714 1.00 0.00 C ATOM 0 H VAL A 34 -5.727 1.608 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.746 1.489 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.133 -0.170 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.170 -2.332 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.005 -1.347 -5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.870 -1.469 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.919 -1.259 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.719 -0.333 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.039 0.514 -2.667 1.00 0.00 H new ATOM 441 N GLY A 35 -2.410 0.764 -3.139 1.00 0.00 N ATOM 442 CA GLY A 35 -0.977 0.550 -3.255 1.00 0.00 C ATOM 443 C GLY A 35 -0.296 0.643 -1.887 1.00 0.00 C ATOM 444 O GLY A 35 -0.856 1.207 -0.949 1.00 0.00 O ATOM 0 H GLY A 35 -2.756 0.828 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.786 -0.429 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.548 1.291 -3.930 1.00 0.00 H new ATOM 448 N GLN A 36 0.902 0.082 -1.819 1.00 0.00 N ATOM 449 CA GLN A 36 1.665 0.097 -0.583 1.00 0.00 C ATOM 450 C GLN A 36 2.620 1.292 -0.561 1.00 0.00 C ATOM 451 O GLN A 36 3.679 1.256 -1.185 1.00 0.00 O ATOM 452 CB GLN A 36 2.427 -1.216 -0.394 1.00 0.00 C ATOM 453 CG GLN A 36 1.751 -2.358 -1.156 1.00 0.00 C ATOM 454 CD GLN A 36 2.727 -3.017 -2.134 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.967 -4.212 -2.098 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.272 -2.174 -3.004 1.00 0.00 N ATOM 0 H GLN A 36 1.363 -0.386 -2.600 1.00 0.00 H new ATOM 0 HA GLN A 36 0.968 0.199 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.453 -1.099 -0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.477 -1.462 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.380 -3.101 -0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.887 -1.976 -1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.026 -1.184 -2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.936 -2.516 -3.698 1.00 0.00 H new ATOM 465 N CYS A 37 2.209 2.322 0.163 1.00 0.00 N ATOM 466 CA CYS A 37 3.014 3.527 0.274 1.00 0.00 C ATOM 467 C CYS A 37 3.624 3.571 1.675 1.00 0.00 C ATOM 468 O CYS A 37 3.039 3.057 2.628 1.00 0.00 O ATOM 469 CB CYS A 37 2.198 4.785 -0.033 1.00 0.00 C ATOM 470 SG CYS A 37 3.185 6.233 -0.557 1.00 0.00 S ATOM 0 H CYS A 37 1.329 2.348 0.679 1.00 0.00 H new ATOM 0 HA CYS A 37 3.812 3.502 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.478 4.551 -0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.626 5.055 0.855 1.00 0.00 H new ATOM 475 N ALA A 38 4.793 4.189 1.759 1.00 0.00 N ATOM 476 CA ALA A 38 5.489 4.306 3.029 1.00 0.00 C ATOM 477 C ALA A 38 6.831 5.004 2.809 1.00 0.00 C ATOM 478 O ALA A 38 7.269 5.171 1.671 1.00 0.00 O ATOM 479 CB ALA A 38 5.650 2.916 3.655 1.00 0.00 C ATOM 0 H ALA A 38 5.276 4.614 0.968 1.00 0.00 H new ATOM 0 HA ALA A 38 4.912 4.913 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.172 3.004 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.667 2.475 3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.226 2.279 2.983 1.00 0.00 H new ATOM 485 N TRP A 39 7.451 5.392 3.915 1.00 0.00 N ATOM 486 CA TRP A 39 8.735 6.068 3.857 1.00 0.00 C ATOM 487 C TRP A 39 9.778 5.062 3.365 1.00 0.00 C ATOM 488 O TRP A 39 10.116 4.117 4.075 1.00 0.00 O ATOM 489 CB TRP A 39 9.092 6.686 5.210 1.00 0.00 C ATOM 490 CG TRP A 39 7.877 7.089 6.050 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.213 6.348 6.946 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.207 8.366 6.033 1.00 0.00 C ATOM 493 NE1 TRP A 39 6.167 7.051 7.509 1.00 0.00 N ATOM 494 CE2 TRP A 39 6.163 8.318 6.934 1.00 0.00 C ATOM 495 CE3 TRP A 39 7.472 9.523 5.281 1.00 0.00 C ATOM 496 CZ2 TRP A 39 5.301 9.397 7.169 1.00 0.00 C ATOM 497 CZ3 TRP A 39 6.603 10.592 5.528 1.00 0.00 C ATOM 498 CH2 TRP A 39 5.546 10.561 6.431 1.00 0.00 C ATOM 0 H TRP A 39 7.086 5.250 4.857 1.00 0.00 H new ATOM 0 HA TRP A 39 8.699 6.903 3.157 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.692 5.974 5.776 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.714 7.566 5.043 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.464 5.328 7.197 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.517 6.706 8.216 1.00 0.00 H new ATOM 0 HE3 TRP A 39 8.282 9.583 4.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.491 9.334 7.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.765 11.507 4.978 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.918 11.430 6.562 1.00 0.00 H new ATOM 509 N VAL A 40 10.258 5.299 2.152 1.00 0.00 N ATOM 510 CA VAL A 40 11.254 4.424 1.559 1.00 0.00 C ATOM 511 C VAL A 40 12.648 4.992 1.827 1.00 0.00 C ATOM 512 O VAL A 40 13.554 4.261 2.223 1.00 0.00 O ATOM 513 CB VAL A 40 10.962 4.235 0.067 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.866 5.129 -0.785 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.105 2.767 -0.335 1.00 0.00 C ATOM 0 H VAL A 40 9.975 6.084 1.565 1.00 0.00 H new ATOM 0 HA VAL A 40 11.213 3.434 2.013 1.00 0.00 H new ATOM 0 HB VAL A 40 9.930 4.533 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.639 4.976 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.694 6.173 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.909 4.875 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.893 2.659 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.122 2.432 -0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.402 2.163 0.239 1.00 0.00 H new ATOM 525 N ASP A 41 12.779 6.291 1.600 1.00 0.00 N ATOM 526 CA ASP A 41 14.046 6.965 1.812 1.00 0.00 C ATOM 527 C ASP A 41 14.143 7.415 3.272 1.00 0.00 C ATOM 528 O ASP A 41 13.401 6.929 4.125 1.00 0.00 O ATOM 529 CB ASP A 41 14.166 8.207 0.928 1.00 0.00 C ATOM 530 CG ASP A 41 15.483 8.330 0.160 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.491 9.083 -0.838 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.453 7.668 0.586 1.00 0.00 O ATOM 0 H ASP A 41 12.026 6.895 1.271 1.00 0.00 H new ATOM 0 HA ASP A 41 14.844 6.266 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.344 8.205 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.043 9.092 1.552 1.00 0.00 H new ATOM 538 N THR A 42 15.063 8.336 3.516 1.00 0.00 N ATOM 539 CA THR A 42 15.267 8.855 4.857 1.00 0.00 C ATOM 540 C THR A 42 14.025 9.615 5.328 1.00 0.00 C ATOM 541 O THR A 42 14.015 10.846 5.343 1.00 0.00 O ATOM 542 CB THR A 42 16.534 9.710 4.847 1.00 0.00 C ATOM 543 OG1 THR A 42 17.594 8.761 4.768 1.00 0.00 O ATOM 544 CG2 THR A 42 16.771 10.423 6.180 1.00 0.00 C ATOM 0 H THR A 42 15.676 8.737 2.806 1.00 0.00 H new ATOM 0 HA THR A 42 15.409 8.048 5.576 1.00 0.00 H new ATOM 0 HB THR A 42 16.466 10.448 4.048 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.454 9.231 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.683 11.016 6.118 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.927 11.077 6.398 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.872 9.684 6.975 1.00 0.00 H new ATOM 552 N GLY A 43 13.008 8.853 5.700 1.00 0.00 N ATOM 553 CA GLY A 43 11.765 9.438 6.171 1.00 0.00 C ATOM 554 C GLY A 43 10.984 10.069 5.015 1.00 0.00 C ATOM 555 O GLY A 43 10.048 10.835 5.238 1.00 0.00 O ATOM 0 H GLY A 43 13.020 7.833 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.156 8.671 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.978 10.194 6.927 1.00 0.00 H new ATOM 559 N VAL A 44 11.401 9.723 3.805 1.00 0.00 N ATOM 560 CA VAL A 44 10.752 10.246 2.614 1.00 0.00 C ATOM 561 C VAL A 44 9.614 9.308 2.204 1.00 0.00 C ATOM 562 O VAL A 44 9.851 8.153 1.857 1.00 0.00 O ATOM 563 CB VAL A 44 11.784 10.452 1.505 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.158 11.149 0.296 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.996 11.233 2.019 1.00 0.00 C ATOM 0 H VAL A 44 12.179 9.088 3.624 1.00 0.00 H new ATOM 0 HA VAL A 44 10.312 11.222 2.817 1.00 0.00 H new ATOM 0 HB VAL A 44 12.130 9.469 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.914 11.283 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.343 10.539 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.770 12.122 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.714 11.365 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.673 12.209 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.465 10.682 2.834 1.00 0.00 H new ATOM 575 N LEU A 45 8.402 9.842 2.259 1.00 0.00 N ATOM 576 CA LEU A 45 7.227 9.066 1.899 1.00 0.00 C ATOM 577 C LEU A 45 7.304 8.693 0.417 1.00 0.00 C ATOM 578 O LEU A 45 7.086 9.538 -0.451 1.00 0.00 O ATOM 579 CB LEU A 45 5.950 9.822 2.277 1.00 0.00 C ATOM 580 CG LEU A 45 4.670 8.986 2.337 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.426 8.457 3.753 1.00 0.00 C ATOM 582 CD2 LEU A 45 3.473 9.777 1.806 1.00 0.00 C ATOM 0 H LEU A 45 8.209 10.801 2.547 1.00 0.00 H new ATOM 0 HA LEU A 45 7.197 8.134 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.102 10.288 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.801 10.627 1.557 1.00 0.00 H new ATOM 0 HG LEU A 45 4.797 8.120 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.510 7.866 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.266 7.832 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.328 9.295 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.576 9.160 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.333 10.674 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.656 10.062 0.770 1.00 0.00 H new ATOM 594 N ALA A 46 7.612 7.428 0.173 1.00 0.00 N ATOM 595 CA ALA A 46 7.718 6.932 -1.188 1.00 0.00 C ATOM 596 C ALA A 46 6.759 5.755 -1.375 1.00 0.00 C ATOM 597 O ALA A 46 6.666 4.884 -0.512 1.00 0.00 O ATOM 598 CB ALA A 46 9.173 6.553 -1.481 1.00 0.00 C ATOM 0 H ALA A 46 7.792 6.731 0.896 1.00 0.00 H new ATOM 0 HA ALA A 46 7.432 7.705 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.253 6.181 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.808 7.431 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.494 5.777 -0.786 1.00 0.00 H new ATOM 604 N CYS A 47 6.072 5.768 -2.508 1.00 0.00 N ATOM 605 CA CYS A 47 5.123 4.712 -2.819 1.00 0.00 C ATOM 606 C CYS A 47 5.814 3.703 -3.737 1.00 0.00 C ATOM 607 O CYS A 47 6.777 4.040 -4.426 1.00 0.00 O ATOM 608 CB CYS A 47 3.841 5.269 -3.443 1.00 0.00 C ATOM 609 SG CYS A 47 3.094 6.672 -2.536 1.00 0.00 S ATOM 0 H CYS A 47 6.153 6.492 -3.221 1.00 0.00 H new ATOM 0 HA CYS A 47 4.814 4.214 -1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.058 5.588 -4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.107 4.466 -3.510 1.00 0.00 H new ATOM 614 N ASN A 48 5.293 2.483 -3.722 1.00 0.00 N ATOM 615 CA ASN A 48 5.846 1.423 -4.545 1.00 0.00 C ATOM 616 C ASN A 48 5.336 1.576 -5.979 1.00 0.00 C ATOM 617 O ASN A 48 4.351 2.275 -6.221 1.00 0.00 O ATOM 618 CB ASN A 48 5.414 0.047 -4.035 1.00 0.00 C ATOM 619 CG ASN A 48 6.257 -0.381 -2.833 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.654 0.629 -2.063 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 6.529 -1.550 -2.618 1.00 0.00 N flip ATOM 0 H ASN A 48 4.493 2.207 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 48 6.933 1.498 -4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.361 0.073 -3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.513 -0.688 -4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.192 -2.277 -3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.094 -1.801 -1.806 1.00 0.00 H new ATOM 628 N PRO A 49 6.044 0.896 -6.918 1.00 0.00 N ATOM 629 CA PRO A 49 5.675 0.952 -8.322 1.00 0.00 C ATOM 630 C PRO A 49 4.432 0.100 -8.596 1.00 0.00 C ATOM 631 O PRO A 49 3.827 0.201 -9.660 1.00 0.00 O ATOM 632 CB PRO A 49 6.903 0.466 -9.075 1.00 0.00 C ATOM 633 CG PRO A 49 7.748 -0.279 -8.053 1.00 0.00 C ATOM 634 CD PRO A 49 7.216 0.060 -6.670 1.00 0.00 C ATOM 0 HA PRO A 49 5.400 1.957 -8.643 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.622 -0.187 -9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.455 1.302 -9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.699 -1.354 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.795 0.010 -8.140 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.950 -0.840 -6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.962 0.590 -6.078 1.00 0.00 H new ATOM 642 N ALA A 50 4.091 -0.722 -7.613 1.00 0.00 N ATOM 643 CA ALA A 50 2.932 -1.591 -7.734 1.00 0.00 C ATOM 644 C ALA A 50 1.818 -1.078 -6.817 1.00 0.00 C ATOM 645 O ALA A 50 0.848 -1.787 -6.556 1.00 0.00 O ATOM 646 CB ALA A 50 3.337 -3.029 -7.409 1.00 0.00 C ATOM 0 H ALA A 50 4.596 -0.804 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 50 2.550 -1.582 -8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.468 -3.681 -7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.110 -3.355 -8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.722 -3.077 -6.390 1.00 0.00 H new ATOM 652 N ASP A 51 1.995 0.152 -6.355 1.00 0.00 N ATOM 653 CA ASP A 51 1.016 0.767 -5.474 1.00 0.00 C ATOM 654 C ASP A 51 -0.058 1.459 -6.317 1.00 0.00 C ATOM 655 O ASP A 51 -0.877 2.209 -5.789 1.00 0.00 O ATOM 656 CB ASP A 51 1.669 1.824 -4.581 1.00 0.00 C ATOM 657 CG ASP A 51 0.929 3.161 -4.516 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.182 3.350 -3.531 1.00 0.00 O ATOM 659 OD2 ASP A 51 1.127 3.967 -5.451 1.00 0.00 O ATOM 0 H ASP A 51 2.800 0.738 -6.574 1.00 0.00 H new ATOM 0 HA ASP A 51 0.583 -0.015 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.753 1.423 -3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.683 2.004 -4.938 1.00 0.00 H new ATOM 665 N PHE A 52 -0.020 1.179 -7.611 1.00 0.00 N ATOM 666 CA PHE A 52 -0.982 1.764 -8.531 1.00 0.00 C ATOM 667 C PHE A 52 -2.009 0.726 -8.983 1.00 0.00 C ATOM 668 O PHE A 52 -1.793 0.018 -9.964 1.00 0.00 O ATOM 669 CB PHE A 52 -0.194 2.249 -9.751 1.00 0.00 C ATOM 670 CG PHE A 52 1.221 2.731 -9.427 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.446 3.482 -8.316 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.255 2.407 -10.249 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.760 3.930 -8.014 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.567 2.854 -9.948 1.00 0.00 C ATOM 675 CZ PHE A 52 3.793 3.605 -8.837 1.00 0.00 C ATOM 0 H PHE A 52 0.661 0.555 -8.045 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.518 2.577 -8.042 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.133 1.438 -10.477 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.744 3.062 -10.226 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.625 3.738 -7.663 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.077 1.809 -11.131 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.938 4.528 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.387 2.598 -10.602 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.793 3.943 -8.608 1.00 0.00 H new ATOM 685 N SER A 53 -3.108 0.668 -8.245 1.00 0.00 N ATOM 686 CA SER A 53 -4.172 -0.271 -8.557 1.00 0.00 C ATOM 687 C SER A 53 -5.520 0.296 -8.111 1.00 0.00 C ATOM 688 O SER A 53 -5.935 0.096 -6.970 1.00 0.00 O ATOM 689 CB SER A 53 -3.921 -1.628 -7.894 1.00 0.00 C ATOM 690 OG SER A 53 -5.013 -2.525 -8.082 1.00 0.00 O ATOM 0 H SER A 53 -3.285 1.257 -7.431 1.00 0.00 H new ATOM 0 HA SER A 53 -4.189 -0.421 -9.636 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.014 -2.070 -8.306 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.750 -1.484 -6.827 1.00 0.00 H new ATOM 0 HG SER A 53 -5.651 -2.423 -7.345 1.00 0.00 H new ATOM 696 N SER A 54 -6.169 0.994 -9.032 1.00 0.00 N ATOM 697 CA SER A 54 -7.460 1.591 -8.746 1.00 0.00 C ATOM 698 C SER A 54 -8.241 0.710 -7.770 1.00 0.00 C ATOM 699 O SER A 54 -8.090 -0.511 -7.774 1.00 0.00 O ATOM 700 CB SER A 54 -8.265 1.804 -10.031 1.00 0.00 C ATOM 701 OG SER A 54 -8.338 0.617 -10.817 1.00 0.00 O ATOM 0 H SER A 54 -5.823 1.159 -9.977 1.00 0.00 H new ATOM 0 HA SER A 54 -7.292 2.566 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.273 2.134 -9.777 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.807 2.600 -10.618 1.00 0.00 H new ATOM 0 HG SER A 54 -8.861 0.793 -11.627 1.00 0.00 H new ATOM 707 N VAL A 55 -9.061 1.361 -6.959 1.00 0.00 N ATOM 708 CA VAL A 55 -9.865 0.651 -5.980 1.00 0.00 C ATOM 709 C VAL A 55 -11.191 1.390 -5.784 1.00 0.00 C ATOM 710 O VAL A 55 -11.278 2.592 -6.025 1.00 0.00 O ATOM 711 CB VAL A 55 -9.078 0.483 -4.678 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.399 1.608 -3.693 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.344 -0.890 -4.052 1.00 0.00 C ATOM 0 H VAL A 55 -9.186 2.373 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.100 -0.353 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.016 0.543 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.826 1.464 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.136 2.568 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.464 1.596 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.774 -0.985 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.407 -0.991 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.041 -1.672 -4.748 1.00 0.00 H new ATOM 723 N THR A 56 -12.192 0.639 -5.348 1.00 0.00 N ATOM 724 CA THR A 56 -13.509 1.206 -5.118 1.00 0.00 C ATOM 725 C THR A 56 -14.242 0.426 -4.025 1.00 0.00 C ATOM 726 O THR A 56 -14.325 -0.800 -4.081 1.00 0.00 O ATOM 727 CB THR A 56 -14.256 1.227 -6.452 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.387 2.613 -6.754 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.699 0.736 -6.325 1.00 0.00 C ATOM 0 H THR A 56 -12.117 -0.358 -5.148 1.00 0.00 H new ATOM 0 HA THR A 56 -13.439 2.230 -4.752 1.00 0.00 H new ATOM 0 HB THR A 56 -13.725 0.607 -7.174 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.680 3.096 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.183 0.772 -7.301 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.703 -0.289 -5.955 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.241 1.375 -5.628 1.00 0.00 H new ATOM 737 N ALA A 57 -14.755 1.169 -3.054 1.00 0.00 N ATOM 738 CA ALA A 57 -15.479 0.564 -1.949 1.00 0.00 C ATOM 739 C ALA A 57 -16.982 0.734 -2.175 1.00 0.00 C ATOM 740 O ALA A 57 -17.430 1.787 -2.625 1.00 0.00 O ATOM 741 CB ALA A 57 -15.013 1.185 -0.631 1.00 0.00 C ATOM 0 H ALA A 57 -14.683 2.186 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.273 -0.505 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.557 0.731 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.945 1.010 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.205 2.258 -0.646 1.00 0.00 H new ATOM 747 N ASP A 58 -17.720 -0.318 -1.852 1.00 0.00 N ATOM 748 CA ASP A 58 -19.163 -0.297 -2.012 1.00 0.00 C ATOM 749 C ASP A 58 -19.758 0.790 -1.115 1.00 0.00 C ATOM 750 O ASP A 58 -19.123 1.221 -0.154 1.00 0.00 O ATOM 751 CB ASP A 58 -19.783 -1.637 -1.605 1.00 0.00 C ATOM 752 CG ASP A 58 -18.902 -2.860 -1.864 1.00 0.00 C ATOM 753 OD1 ASP A 58 -19.254 -3.935 -1.329 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.898 -2.695 -2.591 1.00 0.00 O ATOM 0 H ASP A 58 -17.345 -1.191 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.381 -0.102 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.026 -1.601 -0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.723 -1.764 -2.143 1.00 0.00 H new ATOM 760 N ALA A 59 -20.968 1.203 -1.462 1.00 0.00 N ATOM 761 CA ALA A 59 -21.653 2.232 -0.700 1.00 0.00 C ATOM 762 C ALA A 59 -21.430 1.989 0.794 1.00 0.00 C ATOM 763 O ALA A 59 -21.419 2.930 1.586 1.00 0.00 O ATOM 764 CB ALA A 59 -23.138 2.242 -1.074 1.00 0.00 C ATOM 0 H ALA A 59 -21.491 0.844 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.250 3.217 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.652 3.014 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.244 2.448 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.577 1.270 -0.848 1.00 0.00 H new ATOM 770 N ASN A 60 -21.259 0.720 1.135 1.00 0.00 N ATOM 771 CA ASN A 60 -21.036 0.340 2.521 1.00 0.00 C ATOM 772 C ASN A 60 -19.537 0.379 2.820 1.00 0.00 C ATOM 773 O ASN A 60 -19.035 -0.435 3.592 1.00 0.00 O ATOM 774 CB ASN A 60 -21.537 -1.080 2.789 1.00 0.00 C ATOM 775 CG ASN A 60 -21.962 -1.245 4.249 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.801 -0.359 5.073 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.514 -2.424 4.523 1.00 0.00 N ATOM 0 H ASN A 60 -21.270 -0.058 0.476 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.580 1.039 3.156 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.380 -1.302 2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.751 -1.797 2.552 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.832 -2.630 5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.619 -3.121 3.786 1.00 0.00 H new ATOM 784 N GLY A 61 -18.864 1.332 2.192 1.00 0.00 N ATOM 785 CA GLY A 61 -17.432 1.487 2.383 1.00 0.00 C ATOM 786 C GLY A 61 -16.730 0.127 2.391 1.00 0.00 C ATOM 787 O GLY A 61 -15.886 -0.133 3.246 1.00 0.00 O ATOM 0 H GLY A 61 -19.284 2.005 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.020 2.108 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.241 2.005 3.323 1.00 0.00 H new ATOM 791 N SER A 62 -17.107 -0.703 1.429 1.00 0.00 N ATOM 792 CA SER A 62 -16.523 -2.030 1.315 1.00 0.00 C ATOM 793 C SER A 62 -15.612 -2.097 0.088 1.00 0.00 C ATOM 794 O SER A 62 -16.085 -2.293 -1.030 1.00 0.00 O ATOM 795 CB SER A 62 -17.610 -3.103 1.229 1.00 0.00 C ATOM 796 OG SER A 62 -18.832 -2.675 1.824 1.00 0.00 O ATOM 0 H SER A 62 -17.809 -0.483 0.722 1.00 0.00 H new ATOM 0 HA SER A 62 -15.931 -2.222 2.210 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.786 -3.358 0.184 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.264 -4.010 1.725 1.00 0.00 H new ATOM 0 HG SER A 62 -19.500 -3.387 1.747 1.00 0.00 H new ATOM 802 N ALA A 63 -14.322 -1.927 0.340 1.00 0.00 N ATOM 803 CA ALA A 63 -13.341 -1.965 -0.731 1.00 0.00 C ATOM 804 C ALA A 63 -12.561 -3.281 -0.656 1.00 0.00 C ATOM 805 O ALA A 63 -11.478 -3.332 -0.080 1.00 0.00 O ATOM 806 CB ALA A 63 -12.428 -0.742 -0.632 1.00 0.00 C ATOM 0 H ALA A 63 -13.934 -1.763 1.269 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.833 -1.927 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.692 -0.771 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.025 0.166 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.915 -0.748 0.330 1.00 0.00 H new ATOM 812 N SER A 64 -13.146 -4.313 -1.248 1.00 0.00 N ATOM 813 CA SER A 64 -12.523 -5.624 -1.254 1.00 0.00 C ATOM 814 C SER A 64 -11.691 -5.800 -2.528 1.00 0.00 C ATOM 815 O SER A 64 -12.144 -6.428 -3.484 1.00 0.00 O ATOM 816 CB SER A 64 -13.567 -6.735 -1.144 1.00 0.00 C ATOM 817 OG SER A 64 -14.419 -6.556 -0.014 1.00 0.00 O ATOM 0 H SER A 64 -14.045 -4.266 -1.727 1.00 0.00 H new ATOM 0 HA SER A 64 -11.869 -5.695 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.169 -6.758 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.064 -7.699 -1.070 1.00 0.00 H new ATOM 0 HG SER A 64 -15.073 -7.285 0.021 1.00 0.00 H new ATOM 823 N THR A 65 -10.493 -5.238 -2.498 1.00 0.00 N ATOM 824 CA THR A 65 -9.596 -5.325 -3.637 1.00 0.00 C ATOM 825 C THR A 65 -8.449 -6.290 -3.341 1.00 0.00 C ATOM 826 O THR A 65 -7.902 -6.288 -2.236 1.00 0.00 O ATOM 827 CB THR A 65 -9.129 -3.909 -3.982 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.422 -4.066 -5.210 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.070 -3.390 -3.006 1.00 0.00 C ATOM 0 H THR A 65 -10.122 -4.720 -1.702 1.00 0.00 H new ATOM 0 HA THR A 65 -10.104 -5.735 -4.510 1.00 0.00 H new ATOM 0 HB THR A 65 -9.985 -3.234 -3.984 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.717 -3.388 -5.271 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.772 -2.382 -3.295 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.483 -3.372 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.200 -4.046 -3.030 1.00 0.00 H new ATOM 837 N SER A 66 -8.113 -7.090 -4.341 1.00 0.00 N ATOM 838 CA SER A 66 -7.038 -8.056 -4.200 1.00 0.00 C ATOM 839 C SER A 66 -5.827 -7.621 -5.028 1.00 0.00 C ATOM 840 O SER A 66 -5.979 -7.173 -6.166 1.00 0.00 O ATOM 841 CB SER A 66 -7.495 -9.454 -4.622 1.00 0.00 C ATOM 842 OG SER A 66 -6.935 -9.845 -5.873 1.00 0.00 O ATOM 0 H SER A 66 -8.567 -7.089 -5.254 1.00 0.00 H new ATOM 0 HA SER A 66 -6.753 -8.097 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.210 -10.175 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.583 -9.475 -4.690 1.00 0.00 H new ATOM 0 HG SER A 66 -7.250 -10.743 -6.106 1.00 0.00 H new ATOM 848 N LEU A 67 -4.655 -7.766 -4.430 1.00 0.00 N ATOM 849 CA LEU A 67 -3.421 -7.393 -5.099 1.00 0.00 C ATOM 850 C LEU A 67 -2.256 -8.164 -4.476 1.00 0.00 C ATOM 851 O LEU A 67 -2.446 -8.924 -3.528 1.00 0.00 O ATOM 852 CB LEU A 67 -3.239 -5.875 -5.077 1.00 0.00 C ATOM 853 CG LEU A 67 -2.825 -5.228 -6.400 1.00 0.00 C ATOM 854 CD1 LEU A 67 -4.040 -4.995 -7.298 1.00 0.00 C ATOM 855 CD2 LEU A 67 -2.034 -3.940 -6.159 1.00 0.00 C ATOM 0 H LEU A 67 -4.533 -8.137 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.458 -7.670 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.175 -5.422 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.488 -5.630 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.163 -5.917 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.719 -4.534 -8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.523 -5.949 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.745 -4.336 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.753 -3.501 -7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.650 -3.233 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.135 -4.167 -5.586 1.00 0.00 H new ATOM 867 N THR A 68 -1.075 -7.941 -5.036 1.00 0.00 N ATOM 868 CA THR A 68 0.122 -8.605 -4.547 1.00 0.00 C ATOM 869 C THR A 68 1.004 -7.616 -3.779 1.00 0.00 C ATOM 870 O THR A 68 1.212 -6.488 -4.224 1.00 0.00 O ATOM 871 CB THR A 68 0.827 -9.247 -5.743 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.118 -10.190 -6.237 1.00 0.00 O ATOM 873 CG2 THR A 68 2.024 -10.104 -5.324 1.00 0.00 C ATOM 0 H THR A 68 -0.922 -7.310 -5.823 1.00 0.00 H new ATOM 0 HA THR A 68 -0.124 -9.393 -3.835 1.00 0.00 H new ATOM 0 HB THR A 68 1.159 -8.469 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.691 -9.760 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.489 -10.537 -6.210 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.750 -9.483 -4.799 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.686 -10.903 -4.664 1.00 0.00 H new ATOM 881 N VAL A 69 1.499 -8.077 -2.638 1.00 0.00 N ATOM 882 CA VAL A 69 2.352 -7.249 -1.807 1.00 0.00 C ATOM 883 C VAL A 69 3.806 -7.405 -2.259 1.00 0.00 C ATOM 884 O VAL A 69 4.534 -8.248 -1.738 1.00 0.00 O ATOM 885 CB VAL A 69 2.145 -7.600 -0.331 1.00 0.00 C ATOM 886 CG1 VAL A 69 2.622 -9.022 -0.035 1.00 0.00 C ATOM 887 CG2 VAL A 69 2.841 -6.585 0.577 1.00 0.00 C ATOM 0 H VAL A 69 1.324 -9.013 -2.272 1.00 0.00 H new ATOM 0 HA VAL A 69 2.088 -6.197 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 69 1.076 -7.556 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.464 -9.247 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.059 -9.729 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.683 -9.106 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.678 -6.858 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.910 -6.581 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.431 -5.592 0.394 1.00 0.00 H new ATOM 897 N ARG A 70 4.184 -6.580 -3.224 1.00 0.00 N ATOM 898 CA ARG A 70 5.537 -6.617 -3.753 1.00 0.00 C ATOM 899 C ARG A 70 6.453 -5.711 -2.928 1.00 0.00 C ATOM 900 O ARG A 70 6.772 -4.598 -3.344 1.00 0.00 O ATOM 901 CB ARG A 70 5.568 -6.166 -5.215 1.00 0.00 C ATOM 902 CG ARG A 70 4.679 -7.059 -6.083 1.00 0.00 C ATOM 903 CD ARG A 70 5.515 -8.077 -6.859 1.00 0.00 C ATOM 904 NE ARG A 70 4.656 -9.190 -7.322 1.00 0.00 N ATOM 905 CZ ARG A 70 3.885 -9.140 -8.415 1.00 0.00 C ATOM 906 NH1 ARG A 70 3.860 -8.030 -9.167 1.00 0.00 N ATOM 907 NH2 ARG A 70 3.137 -10.197 -8.759 1.00 0.00 N ATOM 0 H ARG A 70 3.577 -5.882 -3.654 1.00 0.00 H new ATOM 0 HA ARG A 70 5.889 -7.647 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.232 -5.132 -5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.592 -6.195 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.957 -7.580 -5.454 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.110 -6.444 -6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.990 -7.594 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.314 -8.463 -6.225 1.00 0.00 H new ATOM 0 HE ARG A 70 4.651 -10.050 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.428 -7.224 -8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.273 -7.991 -10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.154 -11.042 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.550 -10.157 -9.592 1.00 0.00 H new ATOM 921 N ARG A 71 6.851 -6.223 -1.771 1.00 0.00 N ATOM 922 CA ARG A 71 7.725 -5.474 -0.883 1.00 0.00 C ATOM 923 C ARG A 71 8.964 -4.988 -1.643 1.00 0.00 C ATOM 924 O ARG A 71 9.492 -3.918 -1.353 1.00 0.00 O ATOM 925 CB ARG A 71 8.168 -6.331 0.304 1.00 0.00 C ATOM 926 CG ARG A 71 9.053 -5.528 1.258 1.00 0.00 C ATOM 927 CD ARG A 71 10.293 -6.329 1.662 1.00 0.00 C ATOM 928 NE ARG A 71 9.944 -7.759 1.819 1.00 0.00 N ATOM 929 CZ ARG A 71 10.821 -8.763 1.699 1.00 0.00 C ATOM 930 NH1 ARG A 71 12.104 -8.503 1.416 1.00 0.00 N ATOM 931 NH2 ARG A 71 10.414 -10.031 1.857 1.00 0.00 N ATOM 0 H ARG A 71 6.584 -7.146 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 71 7.164 -4.617 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.292 -6.700 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.713 -7.204 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.357 -4.597 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.484 -5.259 2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.070 -6.217 0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.698 -5.941 2.596 1.00 0.00 H new ATOM 0 HE ARG A 71 8.975 -7.994 2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.414 -7.539 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.771 -9.269 1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.436 -10.230 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.082 -10.796 1.766 1.00 0.00 H new ATOM 945 N SER A 72 9.387 -5.800 -2.599 1.00 0.00 N ATOM 946 CA SER A 72 10.552 -5.468 -3.402 1.00 0.00 C ATOM 947 C SER A 72 10.119 -4.748 -4.680 1.00 0.00 C ATOM 948 O SER A 72 9.180 -5.177 -5.350 1.00 0.00 O ATOM 949 CB SER A 72 11.361 -6.720 -3.745 1.00 0.00 C ATOM 950 OG SER A 72 10.522 -7.842 -4.008 1.00 0.00 O ATOM 0 H SER A 72 8.944 -6.688 -2.836 1.00 0.00 H new ATOM 0 HA SER A 72 11.191 -4.805 -2.819 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.985 -6.521 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.033 -6.955 -2.919 1.00 0.00 H new ATOM 0 HG SER A 72 11.076 -8.621 -4.225 1.00 0.00 H new ATOM 956 N PHE A 73 10.823 -3.665 -4.980 1.00 0.00 N ATOM 957 CA PHE A 73 10.521 -2.883 -6.166 1.00 0.00 C ATOM 958 C PHE A 73 11.142 -1.488 -6.075 1.00 0.00 C ATOM 959 O PHE A 73 11.763 -1.146 -5.067 1.00 0.00 O ATOM 960 CB PHE A 73 9.000 -2.748 -6.239 1.00 0.00 C ATOM 961 CG PHE A 73 8.354 -3.570 -7.355 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.960 -3.665 -8.569 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.175 -4.210 -7.132 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.359 -4.429 -9.604 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.574 -4.976 -8.168 1.00 0.00 C ATOM 966 CZ PHE A 73 7.181 -5.069 -9.382 1.00 0.00 C ATOM 0 H PHE A 73 11.601 -3.312 -4.422 1.00 0.00 H new ATOM 0 HA PHE A 73 10.927 -3.376 -7.049 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.573 -3.053 -5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.745 -1.698 -6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.898 -3.160 -8.746 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.695 -4.136 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.839 -4.502 -10.569 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.637 -5.483 -7.992 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.726 -5.652 -10.170 1.00 0.00 H new ATOM 976 N GLU A 74 10.953 -0.719 -7.136 1.00 0.00 N ATOM 977 CA GLU A 74 11.487 0.630 -7.188 1.00 0.00 C ATOM 978 C GLU A 74 10.475 1.624 -6.609 1.00 0.00 C ATOM 979 O GLU A 74 9.420 1.855 -7.198 1.00 0.00 O ATOM 980 CB GLU A 74 11.873 1.013 -8.617 1.00 0.00 C ATOM 981 CG GLU A 74 12.637 2.338 -8.642 1.00 0.00 C ATOM 982 CD GLU A 74 12.754 2.878 -10.070 1.00 0.00 C ATOM 983 OE1 GLU A 74 13.770 2.550 -10.719 1.00 0.00 O ATOM 984 OE2 GLU A 74 11.823 3.607 -10.480 1.00 0.00 O ATOM 0 H GLU A 74 10.437 -1.005 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 74 12.392 0.665 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.488 0.226 -9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.976 1.095 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.126 3.068 -8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.632 2.196 -8.221 1.00 0.00 H new ATOM 992 N GLY A 75 10.833 2.182 -5.461 1.00 0.00 N ATOM 993 CA GLY A 75 9.970 3.145 -4.797 1.00 0.00 C ATOM 994 C GLY A 75 10.191 4.553 -5.350 1.00 0.00 C ATOM 995 O GLY A 75 11.220 4.828 -5.967 1.00 0.00 O ATOM 0 H GLY A 75 11.708 1.986 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.927 2.857 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.167 3.137 -3.725 1.00 0.00 H new ATOM 999 N PHE A 76 9.208 5.409 -5.113 1.00 0.00 N ATOM 1000 CA PHE A 76 9.282 6.783 -5.580 1.00 0.00 C ATOM 1001 C PHE A 76 8.773 7.754 -4.512 1.00 0.00 C ATOM 1002 O PHE A 76 7.676 7.579 -3.984 1.00 0.00 O ATOM 1003 CB PHE A 76 8.384 6.886 -6.814 1.00 0.00 C ATOM 1004 CG PHE A 76 7.079 7.647 -6.574 1.00 0.00 C ATOM 1005 CD1 PHE A 76 7.044 8.999 -6.733 1.00 0.00 C ATOM 1006 CD2 PHE A 76 5.958 6.975 -6.199 1.00 0.00 C ATOM 1007 CE1 PHE A 76 5.832 9.706 -6.510 1.00 0.00 C ATOM 1008 CE2 PHE A 76 4.747 7.685 -5.976 1.00 0.00 C ATOM 1009 CZ PHE A 76 4.710 9.034 -6.136 1.00 0.00 C ATOM 0 H PHE A 76 8.355 5.177 -4.603 1.00 0.00 H new ATOM 0 HA PHE A 76 10.316 7.043 -5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.938 7.379 -7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.147 5.881 -7.163 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.935 9.533 -7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.988 5.903 -6.071 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.801 10.778 -6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.856 7.152 -5.679 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.789 9.573 -5.966 1.00 0.00 H new ATOM 1019 N LEU A 77 9.595 8.753 -4.227 1.00 0.00 N ATOM 1020 CA LEU A 77 9.242 9.751 -3.231 1.00 0.00 C ATOM 1021 C LEU A 77 7.995 10.507 -3.693 1.00 0.00 C ATOM 1022 O LEU A 77 7.807 10.731 -4.889 1.00 0.00 O ATOM 1023 CB LEU A 77 10.438 10.657 -2.935 1.00 0.00 C ATOM 1024 CG LEU A 77 11.757 9.950 -2.626 1.00 0.00 C ATOM 1025 CD1 LEU A 77 11.510 8.529 -2.114 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.687 9.966 -3.844 1.00 0.00 C ATOM 0 H LEU A 77 10.504 8.893 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 77 8.992 9.274 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.593 11.312 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.184 11.295 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 77 12.260 10.498 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.465 8.048 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.913 8.569 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.976 7.957 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.618 9.457 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.204 9.456 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.901 10.997 -4.125 1.00 0.00 H new ATOM 1038 N PHE A 78 7.175 10.883 -2.723 1.00 0.00 N ATOM 1039 CA PHE A 78 5.951 11.608 -3.016 1.00 0.00 C ATOM 1040 C PHE A 78 6.249 13.072 -3.350 1.00 0.00 C ATOM 1041 O PHE A 78 5.418 13.761 -3.938 1.00 0.00 O ATOM 1042 CB PHE A 78 5.085 11.552 -1.756 1.00 0.00 C ATOM 1043 CG PHE A 78 5.352 12.688 -0.765 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.331 12.557 0.171 1.00 0.00 C ATOM 1045 CD2 PHE A 78 4.610 13.826 -0.819 1.00 0.00 C ATOM 1046 CE1 PHE A 78 6.578 13.610 1.090 1.00 0.00 C ATOM 1047 CE2 PHE A 78 4.859 14.880 0.100 1.00 0.00 C ATOM 1048 CZ PHE A 78 5.837 14.749 1.035 1.00 0.00 C ATOM 0 H PHE A 78 7.335 10.699 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 78 5.450 11.161 -3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.035 11.578 -2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.253 10.599 -1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.920 11.653 0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.831 13.929 -1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.355 13.507 1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.272 15.785 0.056 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.026 15.550 1.735 1.00 0.00 H new ATOM 1058 N ASP A 79 7.439 13.505 -2.960 1.00 0.00 N ATOM 1059 CA ASP A 79 7.858 14.873 -3.211 1.00 0.00 C ATOM 1060 C ASP A 79 7.890 15.123 -4.720 1.00 0.00 C ATOM 1061 O ASP A 79 7.360 16.126 -5.197 1.00 0.00 O ATOM 1062 CB ASP A 79 9.262 15.130 -2.658 1.00 0.00 C ATOM 1063 CG ASP A 79 9.856 16.494 -3.012 1.00 0.00 C ATOM 1064 OD1 ASP A 79 9.180 17.502 -2.714 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.974 16.499 -3.572 1.00 0.00 O ATOM 0 H ASP A 79 8.127 12.932 -2.471 1.00 0.00 H new ATOM 0 HA ASP A 79 7.150 15.539 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.232 15.034 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.930 14.352 -3.028 1.00 0.00 H new ATOM 1071 N GLY A 80 8.516 14.196 -5.429 1.00 0.00 N ATOM 1072 CA GLY A 80 8.625 14.304 -6.873 1.00 0.00 C ATOM 1073 C GLY A 80 9.772 13.441 -7.404 1.00 0.00 C ATOM 1074 O GLY A 80 9.759 13.029 -8.562 1.00 0.00 O ATOM 0 H GLY A 80 8.953 13.366 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.688 13.994 -7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.789 15.345 -7.152 1.00 0.00 H new ATOM 1078 N THR A 81 10.736 13.193 -6.529 1.00 0.00 N ATOM 1079 CA THR A 81 11.890 12.388 -6.895 1.00 0.00 C ATOM 1080 C THR A 81 11.609 10.906 -6.634 1.00 0.00 C ATOM 1081 O THR A 81 10.731 10.567 -5.841 1.00 0.00 O ATOM 1082 CB THR A 81 13.100 12.921 -6.128 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.186 14.289 -6.519 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.417 12.312 -6.614 1.00 0.00 C ATOM 0 H THR A 81 10.742 13.535 -5.568 1.00 0.00 H new ATOM 0 HA THR A 81 12.104 12.464 -7.961 1.00 0.00 H new ATOM 0 HB THR A 81 12.974 12.714 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.945 14.712 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.244 12.725 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.388 11.230 -6.484 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.559 12.547 -7.669 1.00 0.00 H new ATOM 1092 N ARG A 82 12.370 10.065 -7.316 1.00 0.00 N ATOM 1093 CA ARG A 82 12.216 8.628 -7.168 1.00 0.00 C ATOM 1094 C ARG A 82 13.399 8.041 -6.396 1.00 0.00 C ATOM 1095 O ARG A 82 14.526 8.517 -6.527 1.00 0.00 O ATOM 1096 CB ARG A 82 12.113 7.940 -8.532 1.00 0.00 C ATOM 1097 CG ARG A 82 13.445 8.009 -9.280 1.00 0.00 C ATOM 1098 CD ARG A 82 13.223 8.259 -10.775 1.00 0.00 C ATOM 1099 NE ARG A 82 13.477 9.682 -11.091 1.00 0.00 N ATOM 1100 CZ ARG A 82 12.967 10.316 -12.156 1.00 0.00 C ATOM 1101 NH1 ARG A 82 12.171 9.658 -13.010 1.00 0.00 N ATOM 1102 NH2 ARG A 82 13.250 11.610 -12.366 1.00 0.00 N ATOM 0 H ARG A 82 13.096 10.351 -7.973 1.00 0.00 H new ATOM 0 HA ARG A 82 11.294 8.451 -6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.821 6.899 -8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.333 8.416 -9.126 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.060 8.806 -8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.993 7.077 -9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.886 7.623 -11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.202 7.993 -11.049 1.00 0.00 H new ATOM 0 HE ARG A 82 14.077 10.213 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.953 8.675 -12.850 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.783 10.141 -13.820 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.854 12.112 -11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.862 12.092 -13.177 1.00 0.00 H new ATOM 1116 N TRP A 83 13.104 7.017 -5.610 1.00 0.00 N ATOM 1117 CA TRP A 83 14.131 6.361 -4.819 1.00 0.00 C ATOM 1118 C TRP A 83 14.449 5.016 -5.477 1.00 0.00 C ATOM 1119 O TRP A 83 15.314 4.938 -6.349 1.00 0.00 O ATOM 1120 CB TRP A 83 13.694 6.224 -3.357 1.00 0.00 C ATOM 1121 CG TRP A 83 14.687 5.460 -2.481 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.579 4.209 -2.010 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.952 5.948 -1.985 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.676 3.859 -1.250 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.536 4.951 -1.236 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.578 7.193 -2.166 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.779 5.093 -0.604 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.820 7.321 -1.529 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.422 6.326 -0.771 1.00 0.00 C ATOM 0 H TRP A 83 12.168 6.625 -5.504 1.00 0.00 H new ATOM 0 HA TRP A 83 15.041 6.960 -4.796 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.546 7.219 -2.938 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.730 5.717 -3.323 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.739 3.558 -2.201 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.828 2.964 -0.784 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.137 7.988 -2.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.216 4.296 -0.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.345 8.259 -1.635 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.383 6.502 -0.311 1.00 0.00 H new ATOM 1140 N GLY A 84 13.733 3.993 -5.033 1.00 0.00 N ATOM 1141 CA GLY A 84 13.928 2.659 -5.568 1.00 0.00 C ATOM 1142 C GLY A 84 13.884 1.608 -4.455 1.00 0.00 C ATOM 1143 O GLY A 84 12.948 0.813 -4.383 1.00 0.00 O ATOM 0 H GLY A 84 13.018 4.063 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.156 2.444 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.887 2.607 -6.084 1.00 0.00 H new ATOM 1147 N THR A 85 14.907 1.642 -3.613 1.00 0.00 N ATOM 1148 CA THR A 85 14.996 0.704 -2.506 1.00 0.00 C ATOM 1149 C THR A 85 15.207 -0.718 -3.029 1.00 0.00 C ATOM 1150 O THR A 85 16.222 -1.348 -2.731 1.00 0.00 O ATOM 1151 CB THR A 85 13.736 0.859 -1.653 1.00 0.00 C ATOM 1152 OG1 THR A 85 14.046 1.927 -0.764 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.504 -0.339 -0.731 1.00 0.00 C ATOM 0 H THR A 85 15.681 2.304 -3.675 1.00 0.00 H new ATOM 0 HA THR A 85 15.859 0.915 -1.875 1.00 0.00 H new ATOM 0 HB THR A 85 12.871 0.990 -2.304 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.388 2.690 -1.276 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.597 -0.179 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.395 -1.243 -1.330 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.354 -0.450 -0.058 1.00 0.00 H new ATOM 1161 N VAL A 86 14.233 -1.183 -3.797 1.00 0.00 N ATOM 1162 CA VAL A 86 14.299 -2.519 -4.363 1.00 0.00 C ATOM 1163 C VAL A 86 13.725 -3.523 -3.359 1.00 0.00 C ATOM 1164 O VAL A 86 13.089 -4.501 -3.749 1.00 0.00 O ATOM 1165 CB VAL A 86 15.736 -2.843 -4.774 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.775 -4.008 -5.765 1.00 0.00 C ATOM 1167 CG2 VAL A 86 16.432 -1.610 -5.350 1.00 0.00 C ATOM 0 H VAL A 86 13.393 -0.658 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 86 13.694 -2.580 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 86 16.279 -3.147 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.809 -4.217 -6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 86 15.336 -4.893 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.208 -3.745 -6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.452 -1.868 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.888 -1.262 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.453 -0.820 -4.599 1.00 0.00 H new ATOM 1177 N ASP A 87 13.969 -3.243 -2.087 1.00 0.00 N ATOM 1178 CA ASP A 87 13.483 -4.110 -1.026 1.00 0.00 C ATOM 1179 C ASP A 87 12.961 -3.251 0.128 1.00 0.00 C ATOM 1180 O ASP A 87 13.745 -2.644 0.858 1.00 0.00 O ATOM 1181 CB ASP A 87 14.604 -4.999 -0.484 1.00 0.00 C ATOM 1182 CG ASP A 87 14.219 -6.462 -0.263 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.577 -6.988 0.813 1.00 0.00 O ATOM 1184 OD2 ASP A 87 13.575 -7.024 -1.176 1.00 0.00 O ATOM 0 H ASP A 87 14.496 -2.430 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 87 12.693 -4.738 -1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.445 -4.961 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.952 -4.584 0.462 1.00 0.00 H new ATOM 1190 N CYS A 88 11.643 -3.226 0.256 1.00 0.00 N ATOM 1191 CA CYS A 88 11.007 -2.452 1.309 1.00 0.00 C ATOM 1192 C CYS A 88 10.867 -3.345 2.543 1.00 0.00 C ATOM 1193 O CYS A 88 9.761 -3.553 3.039 1.00 0.00 O ATOM 1194 CB CYS A 88 9.660 -1.884 0.859 1.00 0.00 C ATOM 1195 SG CYS A 88 8.657 -1.140 2.196 1.00 0.00 S ATOM 0 H CYS A 88 10.997 -3.729 -0.352 1.00 0.00 H new ATOM 0 HA CYS A 88 11.626 -1.589 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.837 -1.129 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.083 -2.682 0.392 1.00 0.00 H new ATOM 1200 N THR A 89 12.004 -3.847 3.005 1.00 0.00 N ATOM 1201 CA THR A 89 12.020 -4.712 4.171 1.00 0.00 C ATOM 1202 C THR A 89 12.452 -3.925 5.411 1.00 0.00 C ATOM 1203 O THR A 89 12.301 -4.402 6.535 1.00 0.00 O ATOM 1204 CB THR A 89 12.926 -5.906 3.863 1.00 0.00 C ATOM 1205 OG1 THR A 89 12.830 -6.724 5.025 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.404 -5.518 3.799 1.00 0.00 C ATOM 0 H THR A 89 12.920 -3.671 2.592 1.00 0.00 H new ATOM 0 HA THR A 89 11.023 -5.092 4.395 1.00 0.00 H new ATOM 0 HB THR A 89 12.628 -6.353 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.572 -6.173 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.003 -6.401 3.578 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.551 -4.774 3.016 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.713 -5.101 4.758 1.00 0.00 H new ATOM 1214 N THR A 90 12.983 -2.737 5.165 1.00 0.00 N ATOM 1215 CA THR A 90 13.437 -1.881 6.247 1.00 0.00 C ATOM 1216 C THR A 90 12.293 -0.996 6.744 1.00 0.00 C ATOM 1217 O THR A 90 11.946 -1.028 7.924 1.00 0.00 O ATOM 1218 CB THR A 90 14.646 -1.087 5.745 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.703 -2.042 5.725 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.114 -0.036 6.751 1.00 0.00 C ATOM 0 H THR A 90 13.109 -2.347 4.231 1.00 0.00 H new ATOM 0 HA THR A 90 13.750 -2.468 7.111 1.00 0.00 H new ATOM 0 HB THR A 90 14.395 -0.601 4.802 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.526 -1.613 5.410 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.973 0.498 6.346 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.306 0.669 6.943 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.397 -0.525 7.683 1.00 0.00 H new ATOM 1228 N ALA A 91 11.739 -0.226 5.819 1.00 0.00 N ATOM 1229 CA ALA A 91 10.641 0.667 6.149 1.00 0.00 C ATOM 1230 C ALA A 91 9.314 -0.073 5.959 1.00 0.00 C ATOM 1231 O ALA A 91 9.041 -0.598 4.881 1.00 0.00 O ATOM 1232 CB ALA A 91 10.731 1.929 5.289 1.00 0.00 C ATOM 0 H ALA A 91 12.030 -0.202 4.842 1.00 0.00 H new ATOM 0 HA ALA A 91 10.701 0.979 7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.907 2.598 5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.678 2.433 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.672 1.656 4.235 1.00 0.00 H new ATOM 1238 N ALA A 92 8.526 -0.088 7.024 1.00 0.00 N ATOM 1239 CA ALA A 92 7.234 -0.753 6.989 1.00 0.00 C ATOM 1240 C ALA A 92 6.388 -0.155 5.863 1.00 0.00 C ATOM 1241 O ALA A 92 6.100 1.041 5.865 1.00 0.00 O ATOM 1242 CB ALA A 92 6.557 -0.629 8.355 1.00 0.00 C ATOM 0 H ALA A 92 8.757 0.349 7.916 1.00 0.00 H new ATOM 0 HA ALA A 92 7.356 -1.816 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.588 -1.128 8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.184 -1.095 9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.416 0.424 8.597 1.00 0.00 H new ATOM 1248 N CYS A 93 6.010 -1.015 4.929 1.00 0.00 N ATOM 1249 CA CYS A 93 5.202 -0.587 3.799 1.00 0.00 C ATOM 1250 C CYS A 93 3.728 -0.710 4.189 1.00 0.00 C ATOM 1251 O CYS A 93 3.283 -1.773 4.622 1.00 0.00 O ATOM 1252 CB CYS A 93 5.527 -1.386 2.535 1.00 0.00 C ATOM 1253 SG CYS A 93 7.100 -2.317 2.600 1.00 0.00 S ATOM 0 H CYS A 93 6.248 -2.007 4.931 1.00 0.00 H new ATOM 0 HA CYS A 93 5.428 0.452 3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.714 -2.087 2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.561 -0.701 1.688 1.00 0.00 H new ATOM 1258 N GLN A 94 3.010 0.389 4.021 1.00 0.00 N ATOM 1259 CA GLN A 94 1.595 0.418 4.350 1.00 0.00 C ATOM 1260 C GLN A 94 0.752 0.194 3.092 1.00 0.00 C ATOM 1261 O GLN A 94 0.785 1.003 2.166 1.00 0.00 O ATOM 1262 CB GLN A 94 1.217 1.733 5.035 1.00 0.00 C ATOM 1263 CG GLN A 94 1.906 1.860 6.395 1.00 0.00 C ATOM 1264 CD GLN A 94 2.301 3.311 6.676 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.078 4.208 5.880 1.00 0.00 O ATOM 1266 NE2 GLN A 94 2.897 3.491 7.851 1.00 0.00 N ATOM 0 H GLN A 94 3.382 1.268 3.661 1.00 0.00 H new ATOM 0 HA GLN A 94 1.389 -0.391 5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.500 2.573 4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.136 1.782 5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.239 1.503 7.179 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.793 1.227 6.418 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.053 2.696 8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.198 4.424 8.133 1.00 0.00 H new ATOM 1275 N VAL A 95 0.018 -0.910 3.099 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.830 -1.251 1.970 1.00 0.00 C ATOM 1277 C VAL A 95 -2.200 -0.594 2.152 1.00 0.00 C ATOM 1278 O VAL A 95 -2.970 -0.989 3.027 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.911 -2.771 1.817 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.432 -3.156 0.431 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.446 -3.422 2.094 1.00 0.00 C ATOM 0 H VAL A 95 -0.006 -1.579 3.869 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.405 -0.867 1.042 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.619 -3.145 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.480 -4.242 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.428 -2.737 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.760 -2.764 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.361 -4.503 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.184 -3.038 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.760 -3.189 3.111 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.463 0.395 1.309 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.729 1.109 1.367 1.00 0.00 C ATOM 1293 C GLY A 96 -3.956 1.920 0.089 1.00 0.00 C ATOM 1294 O GLY A 96 -3.146 1.871 -0.834 1.00 0.00 O ATOM 0 H GLY A 96 -1.823 0.718 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.546 0.400 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.737 1.774 2.231 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.065 2.646 0.079 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.410 3.467 -1.069 1.00 0.00 C ATOM 1300 C LEU A 97 -5.182 4.941 -0.725 1.00 0.00 C ATOM 1301 O LEU A 97 -5.207 5.318 0.445 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.833 3.159 -1.539 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.797 2.646 -0.467 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -7.411 1.238 -0.012 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.885 3.624 0.705 1.00 0.00 C ATOM 0 H LEU A 97 -5.735 2.682 0.847 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.761 3.233 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.254 4.065 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.779 2.417 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.793 2.581 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.112 0.897 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.442 0.559 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.403 1.253 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.577 3.235 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.898 3.746 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.243 4.589 0.347 1.00 0.00 H new ATOM 1317 N SER A 98 -4.966 5.731 -1.766 1.00 0.00 N ATOM 1318 CA SER A 98 -4.733 7.155 -1.585 1.00 0.00 C ATOM 1319 C SER A 98 -5.987 7.942 -1.977 1.00 0.00 C ATOM 1320 O SER A 98 -6.732 7.528 -2.864 1.00 0.00 O ATOM 1321 CB SER A 98 -3.533 7.625 -2.412 1.00 0.00 C ATOM 1322 OG SER A 98 -3.923 8.487 -3.477 1.00 0.00 O ATOM 0 H SER A 98 -4.947 5.414 -2.735 1.00 0.00 H new ATOM 0 HA SER A 98 -4.510 7.336 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.828 8.146 -1.764 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.012 6.759 -2.819 1.00 0.00 H new ATOM 0 HG SER A 98 -3.129 8.766 -3.979 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.178 9.062 -1.297 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.328 9.910 -1.560 1.00 0.00 C ATOM 1330 C ASP A 99 -6.930 11.005 -2.555 1.00 0.00 C ATOM 1331 O ASP A 99 -5.748 11.306 -2.713 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.815 10.592 -0.280 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.334 9.944 1.020 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.707 8.773 1.244 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.605 10.636 1.762 1.00 0.00 O ATOM 0 H ASP A 99 -5.556 9.402 -0.564 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.125 9.283 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.488 11.632 -0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.905 10.601 -0.283 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.942 11.566 -3.203 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.713 12.617 -4.178 1.00 0.00 C ATOM 1343 C ALA A 100 -7.742 13.975 -3.472 1.00 0.00 C ATOM 1344 O ALA A 100 -7.841 15.014 -4.122 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.757 12.516 -5.291 1.00 0.00 C ATOM 0 H ALA A 100 -8.921 11.312 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.732 12.506 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.586 13.305 -6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.676 11.544 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.754 12.627 -4.865 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.652 13.923 -2.152 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.665 15.136 -1.352 1.00 0.00 C ATOM 1353 C ALA A 101 -6.229 15.521 -0.993 1.00 0.00 C ATOM 1354 O ALA A 101 -5.918 16.701 -0.837 1.00 0.00 O ATOM 1355 CB ALA A 101 -8.538 14.921 -0.114 1.00 0.00 C ATOM 0 H ALA A 101 -7.570 13.059 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.096 15.963 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.548 15.831 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.555 14.679 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.134 14.100 0.478 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.389 14.503 -0.873 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.992 14.720 -0.535 1.00 0.00 C ATOM 1363 C GLY A 102 -3.697 14.267 0.896 1.00 0.00 C ATOM 1364 O GLY A 102 -2.966 14.935 1.625 1.00 0.00 O ATOM 0 H GLY A 102 -5.649 13.525 -1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.357 14.173 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.748 15.777 -0.643 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.281 13.132 1.255 1.00 0.00 N ATOM 1369 CA ASN A 103 -4.091 12.582 2.587 1.00 0.00 C ATOM 1370 C ASN A 103 -3.862 11.073 2.482 1.00 0.00 C ATOM 1371 O ASN A 103 -4.206 10.459 1.472 1.00 0.00 O ATOM 1372 CB ASN A 103 -5.323 12.813 3.460 1.00 0.00 C ATOM 1373 CG ASN A 103 -6.086 14.062 3.012 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -7.258 14.017 2.669 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -5.362 15.177 3.034 1.00 0.00 N ATOM 0 H ASN A 103 -4.885 12.579 0.647 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.232 13.080 3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.978 11.944 3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.020 12.921 4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.782 16.063 2.754 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.387 15.146 3.331 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.282 10.519 3.537 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.004 9.093 3.576 1.00 0.00 C ATOM 1384 C GLY A 104 -3.529 8.468 4.869 1.00 0.00 C ATOM 1385 O GLY A 104 -2.748 8.016 5.706 1.00 0.00 O ATOM 0 H GLY A 104 -2.997 11.032 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.466 8.605 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.930 8.926 3.497 1.00 0.00 H new ATOM 1389 N PRO A 105 -4.882 8.461 4.996 1.00 0.00 N ATOM 1390 CA PRO A 105 -5.521 7.898 6.175 1.00 0.00 C ATOM 1391 C PRO A 105 -5.482 6.369 6.140 1.00 0.00 C ATOM 1392 O PRO A 105 -5.300 5.726 7.173 1.00 0.00 O ATOM 1393 CB PRO A 105 -6.934 8.457 6.160 1.00 0.00 C ATOM 1394 CG PRO A 105 -7.180 8.936 4.738 1.00 0.00 C ATOM 1395 CD PRO A 105 -5.838 8.988 4.025 1.00 0.00 C ATOM 0 HA PRO A 105 -5.011 8.166 7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.658 7.694 6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.037 9.277 6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.861 8.261 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.648 9.920 4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.850 8.388 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.584 10.007 3.732 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.655 5.832 4.943 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.642 4.389 4.762 1.00 0.00 C ATOM 1405 C GLU A 106 -4.218 3.901 4.492 1.00 0.00 C ATOM 1406 O GLU A 106 -3.416 4.613 3.889 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.588 3.970 3.634 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.828 3.272 4.191 1.00 0.00 C ATOM 1409 CD GLU A 106 -8.501 4.124 5.268 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -8.076 4.001 6.437 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -9.426 4.881 4.899 1.00 0.00 O ATOM 0 H GLU A 106 -5.805 6.368 4.088 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.997 3.924 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.887 4.847 3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.068 3.302 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.533 3.077 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.548 2.305 4.610 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.943 2.689 4.953 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.631 2.098 4.770 1.00 0.00 C ATOM 1421 C GLY A 107 -2.226 1.269 5.992 1.00 0.00 C ATOM 1422 O GLY A 107 -1.961 1.819 7.059 1.00 0.00 O ATOM 0 H GLY A 107 -4.609 2.101 5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.634 1.466 3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.895 2.884 4.599 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.193 -0.040 5.792 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.827 -0.952 6.864 1.00 0.00 C ATOM 1428 C VAL A 108 -0.369 -1.381 6.687 1.00 0.00 C ATOM 1429 O VAL A 108 -0.014 -1.987 5.677 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.798 -2.133 6.902 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.902 -2.801 5.529 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.388 -3.145 7.974 1.00 0.00 C ATOM 0 H VAL A 108 -2.413 -0.491 4.904 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.904 -0.455 7.831 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.784 -1.748 7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.599 -3.638 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.261 -2.076 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.920 -3.165 5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.095 -3.975 7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.389 -3.521 7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.388 -2.661 8.951 1.00 0.00 H new ATOM 1442 N ALA A 109 0.439 -1.049 7.685 1.00 0.00 N ATOM 1443 CA ALA A 109 1.849 -1.392 7.652 1.00 0.00 C ATOM 1444 C ALA A 109 1.998 -2.916 7.638 1.00 0.00 C ATOM 1445 O ALA A 109 2.137 -3.538 8.690 1.00 0.00 O ATOM 1446 CB ALA A 109 2.561 -0.748 8.842 1.00 0.00 C ATOM 0 H ALA A 109 0.142 -0.546 8.521 1.00 0.00 H new ATOM 0 HA ALA A 109 2.316 -1.006 6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.620 -1.006 8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.450 0.335 8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.121 -1.113 9.770 1.00 0.00 H new ATOM 1452 N ILE A 110 1.966 -3.472 6.436 1.00 0.00 N ATOM 1453 CA ILE A 110 2.096 -4.909 6.272 1.00 0.00 C ATOM 1454 C ILE A 110 3.580 -5.279 6.204 1.00 0.00 C ATOM 1455 O ILE A 110 4.408 -4.462 5.807 1.00 0.00 O ATOM 1456 CB ILE A 110 1.289 -5.386 5.062 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.670 -6.761 5.326 1.00 0.00 C ATOM 1458 CG2 ILE A 110 2.142 -5.373 3.795 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.286 -6.715 6.517 1.00 0.00 C ATOM 0 H ILE A 110 1.852 -2.952 5.566 1.00 0.00 H new ATOM 0 HA ILE A 110 1.676 -5.429 7.133 1.00 0.00 H new ATOM 0 HB ILE A 110 0.467 -4.689 4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 110 0.134 -7.098 4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.459 -7.488 5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.544 -5.716 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.493 -4.359 3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.998 -6.034 3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.711 -7.705 6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.258 -6.401 7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.088 -6.006 6.313 1.00 0.00 H new ATOM 1471 N SER A 111 3.868 -6.510 6.601 1.00 0.00 N ATOM 1472 CA SER A 111 5.238 -6.998 6.589 1.00 0.00 C ATOM 1473 C SER A 111 5.384 -8.165 7.566 1.00 0.00 C ATOM 1474 O SER A 111 5.800 -9.255 7.178 1.00 0.00 O ATOM 1475 CB SER A 111 6.220 -5.880 6.946 1.00 0.00 C ATOM 1476 OG SER A 111 5.635 -4.904 7.801 1.00 0.00 O ATOM 0 H SER A 111 3.178 -7.184 6.933 1.00 0.00 H new ATOM 0 HA SER A 111 5.472 -7.344 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.095 -6.309 7.433 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.568 -5.398 6.032 1.00 0.00 H new ATOM 0 HG SER A 111 5.336 -4.139 7.267 1.00 0.00 H new ATOM 1482 N PHE A 112 5.034 -7.898 8.816 1.00 0.00 N ATOM 1483 CA PHE A 112 5.122 -8.916 9.850 1.00 0.00 C ATOM 1484 C PHE A 112 4.085 -8.670 10.950 1.00 0.00 C ATOM 1485 O PHE A 112 4.040 -7.587 11.533 1.00 0.00 O ATOM 1486 CB PHE A 112 6.523 -8.816 10.457 1.00 0.00 C ATOM 1487 CG PHE A 112 6.708 -9.638 11.735 1.00 0.00 C ATOM 1488 CD1 PHE A 112 6.326 -10.942 11.766 1.00 0.00 C ATOM 1489 CD2 PHE A 112 7.252 -9.062 12.840 1.00 0.00 C ATOM 1490 CE1 PHE A 112 6.497 -11.705 12.952 1.00 0.00 C ATOM 1491 CE2 PHE A 112 7.425 -9.824 14.025 1.00 0.00 C ATOM 1492 CZ PHE A 112 7.041 -11.129 14.057 1.00 0.00 C ATOM 0 H PHE A 112 4.689 -6.993 9.136 1.00 0.00 H new ATOM 0 HA PHE A 112 4.933 -9.900 9.421 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.253 -9.145 9.717 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.739 -7.770 10.675 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.892 -11.398 10.889 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.552 -8.025 12.816 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.195 -12.742 12.976 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.861 -9.368 14.901 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.168 -11.707 14.960 1.00 0.00 H new ATOM 1502 N ASN A 113 3.279 -9.691 11.197 1.00 0.00 N ATOM 1503 CA ASN A 113 2.247 -9.598 12.215 1.00 0.00 C ATOM 1504 C ASN A 113 2.870 -9.121 13.529 1.00 0.00 C ATOM 1505 O ASN A 113 2.192 -8.526 14.363 1.00 0.00 O ATOM 1506 CB ASN A 113 1.600 -10.962 12.469 1.00 0.00 C ATOM 1507 CG ASN A 113 0.337 -10.821 13.322 1.00 0.00 C ATOM 1508 OD1 ASN A 113 -0.021 -9.745 13.772 1.00 0.00 O ATOM 1509 ND2 ASN A 113 -0.312 -11.964 13.521 1.00 0.00 N ATOM 0 H ASN A 113 3.319 -10.586 10.710 1.00 0.00 H new ATOM 0 HA ASN A 113 1.490 -8.897 11.862 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.350 -11.432 11.518 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.311 -11.618 12.972 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.165 -11.975 14.080 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.043 -12.830 13.115 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.683 7.124 1.283 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.269 6.768 -0.004 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.513 5.606 -0.166 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.936 5.191 -1.424 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.548 5.913 -2.536 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.238 7.073 -2.405 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.629 7.551 -1.122 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.021 8.934 -0.969 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.495 9.548 -1.925 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.932 9.684 0.291 1.00 0.00 O HETATM 1527 C12 NCZ A 130 0.829 11.144 0.232 1.00 0.00 C HETATM 1528 C13 NCZ A 130 0.389 11.739 1.574 1.00 0.00 C HETATM 1529 C14 NCZ A 130 -0.937 11.940 1.549 1.00 0.00 C HETATM 1530 C15 NCZ A 130 -1.527 11.779 0.196 1.00 0.00 C HETATM 1531 C16 NCZ A 130 -0.308 11.546 -0.720 1.00 0.00 C HETATM 1532 O6 NCZ A 130 -0.026 12.791 -1.419 1.00 0.00 O HETATM 1533 O5 NCZ A 130 1.048 12.988 1.790 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.579 7.747 -3.589 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.870 4.887 0.952 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.451 5.286 2.213 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.332 6.401 2.390 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.736 6.745 3.670 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.176 8.056 4.080 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.731 3.667 0.874 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.695 3.929 0.439 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.244 2.917 0.251 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.883 3.264 1.875 1.00 0.00 H new HETATM 0 H173 NCZ A 130 2.052 8.344 3.499 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.376 8.777 3.912 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.432 8.039 5.139 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.855 5.580 -3.528 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.565 4.308 -1.531 1.00 0.00 H new HETATM 0 H6 NCZ A 130 -0.773 13.008 -2.014 1.00 0.00 H new HETATM 0 H5 NCZ A 130 0.762 13.365 2.648 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.750 4.702 3.083 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.547 7.691 -3.730 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.456 10.776 -1.478 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -2.579 11.817 -0.085 1.00 0.00 H new HETATM 0 H14 NCZ A 130 -1.522 12.196 2.432 1.00 0.00 H new HETATM 0 H13 NCZ A 130 0.649 11.051 2.378 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.813 11.501 -0.073 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.307 8.009 1.409 1.00 0.00 H new