USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 970 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 119 LYS NZ :NH3+ -171:sc= 2.43 (180deg=1.11) USER MOD Set 1.2: A 123 HIS : no HE2:sc= 0.53 K(o=3,f=-5.3) USER MOD Set 2.1: A 70 HIS : no HE2:sc= -0.704 K(o=-1.1,f=-2.9) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -0.432 K(o=-1.1,f=-0.48) USER MOD Set 3.1: A 60 ASN : amide:sc= 0.0307 X(o=0.016,f=-0.042) USER MOD Set 3.2: A 72 ASN : amide:sc= -0.0151 X(o=0.016,f=-0.02) USER MOD Single : A 1 SER N :NH3+ 173:sc= 0.271 (180deg=0.229) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.11) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.346 K(o=0.35,f=-0.84) USER MOD Single : A 9 SER OG : rot -140:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.127 K(o=0.13,f=-0.45) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -119:sc= 1.98 (180deg=-2.15!) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.25) USER MOD Single : A 23 MET CE :methyl -165:sc= -0.0118 (180deg=-0.541) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -81:sc= 0.36 USER MOD Single : A 30 ASN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -142:sc= 0.763 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 48 THR OG1 : rot 163:sc= 0.632 USER MOD Single : A 53 MET CE :methyl 166:sc= -0.0368 (180deg=-0.487) USER MOD Single : A 56 SER OG : rot 70:sc= 1.23 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.14) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.0717 X(o=0.072,f=-0.00049) USER MOD Single : A 69 HIS : no HD1:sc= 0.324 K(o=0.32,f=-5.8!) USER MOD Single : A 74 MET CE :methyl -117:sc= -0.47 (180deg=-2.09) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 1.12 (180deg=0.948) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -0.668 K(o=-0.67,f=-8.7!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -134:sc= -0.0629 (180deg=-0.356) USER MOD Single : A 88 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.31) USER MOD Single : A 89 GLN : amide:sc=-0.00133 X(o=-0.0013,f=-0.015) USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 0.36 (180deg=-0.357!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 93:sc= -0.198 USER MOD Single : A 104 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.2) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 116 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.346 K(o=-0.35,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.201 -6.984 2.586 1.00 0.00 N ATOM 2 CA SER A 1 14.013 -8.418 2.320 1.00 0.00 C ATOM 3 C SER A 1 12.547 -8.784 2.587 1.00 0.00 C ATOM 4 O SER A 1 11.817 -7.947 3.122 1.00 0.00 O ATOM 5 CB SER A 1 15.019 -9.226 3.147 1.00 0.00 C ATOM 6 OG SER A 1 16.302 -9.243 2.531 1.00 0.00 O ATOM 0 H1 SER A 1 15.212 -6.749 2.524 1.00 0.00 H new ATOM 0 H2 SER A 1 13.672 -6.428 1.884 1.00 0.00 H new ATOM 0 H3 SER A 1 13.852 -6.759 3.539 1.00 0.00 H new ATOM 0 HA SER A 1 14.213 -8.662 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.099 -8.797 4.146 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.657 -10.247 3.266 1.00 0.00 H new ATOM 0 HG SER A 1 16.923 -9.764 3.082 1.00 0.00 H new ATOM 12 N GLN A 2 12.073 -9.978 2.209 1.00 0.00 N ATOM 13 CA GLN A 2 10.662 -10.358 2.333 1.00 0.00 C ATOM 14 C GLN A 2 10.168 -10.290 3.781 1.00 0.00 C ATOM 15 O GLN A 2 9.038 -9.857 4.005 1.00 0.00 O ATOM 16 CB GLN A 2 10.426 -11.751 1.724 1.00 0.00 C ATOM 17 CG GLN A 2 8.963 -12.234 1.811 1.00 0.00 C ATOM 18 CD GLN A 2 8.680 -13.141 3.013 1.00 0.00 C ATOM 19 OE1 GLN A 2 8.882 -14.351 2.975 1.00 0.00 O ATOM 20 NE2 GLN A 2 8.202 -12.601 4.126 1.00 0.00 N ATOM 0 H GLN A 2 12.660 -10.709 1.807 1.00 0.00 H new ATOM 0 HA GLN A 2 10.075 -9.631 1.771 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.731 -11.735 0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.067 -12.472 2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.306 -11.366 1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.713 -12.771 0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.029 -11.597 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.007 -13.190 4.936 1.00 0.00 H new ATOM 29 N GLU A 3 10.974 -10.705 4.759 1.00 0.00 N ATOM 30 CA GLU A 3 10.646 -10.664 6.187 1.00 0.00 C ATOM 31 C GLU A 3 10.208 -9.250 6.586 1.00 0.00 C ATOM 32 O GLU A 3 9.164 -9.048 7.212 1.00 0.00 O ATOM 33 CB GLU A 3 11.913 -11.092 6.931 1.00 0.00 C ATOM 34 CG GLU A 3 11.832 -11.177 8.462 1.00 0.00 C ATOM 35 CD GLU A 3 13.233 -11.223 9.104 1.00 0.00 C ATOM 36 OE1 GLU A 3 14.193 -11.732 8.463 1.00 0.00 O ATOM 37 OE2 GLU A 3 13.393 -10.671 10.217 1.00 0.00 O ATOM 0 H GLU A 3 11.900 -11.090 4.575 1.00 0.00 H new ATOM 0 HA GLU A 3 9.818 -11.329 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.213 -12.070 6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.709 -10.393 6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.284 -10.317 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.271 -12.067 8.748 1.00 0.00 H new ATOM 44 N VAL A 4 10.999 -8.266 6.162 1.00 0.00 N ATOM 45 CA VAL A 4 10.710 -6.858 6.317 1.00 0.00 C ATOM 46 C VAL A 4 9.474 -6.502 5.494 1.00 0.00 C ATOM 47 O VAL A 4 8.548 -5.928 6.036 1.00 0.00 O ATOM 48 CB VAL A 4 11.934 -6.026 5.907 1.00 0.00 C ATOM 49 CG1 VAL A 4 11.595 -4.538 5.815 1.00 0.00 C ATOM 50 CG2 VAL A 4 13.132 -6.223 6.838 1.00 0.00 C ATOM 0 H VAL A 4 11.885 -8.442 5.687 1.00 0.00 H new ATOM 0 HA VAL A 4 10.496 -6.630 7.361 1.00 0.00 H new ATOM 0 HB VAL A 4 12.219 -6.392 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.484 -3.980 5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.812 -4.389 5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.247 -4.184 6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.964 -5.608 6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.858 -5.929 7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.429 -7.272 6.832 1.00 0.00 H new ATOM 60 N MET A 5 9.402 -6.799 4.197 1.00 0.00 N ATOM 61 CA MET A 5 8.328 -6.373 3.332 1.00 0.00 C ATOM 62 C MET A 5 6.962 -6.835 3.865 1.00 0.00 C ATOM 63 O MET A 5 5.991 -6.067 3.826 1.00 0.00 O ATOM 64 CB MET A 5 8.660 -6.939 1.948 1.00 0.00 C ATOM 65 CG MET A 5 7.876 -6.210 0.877 1.00 0.00 C ATOM 66 SD MET A 5 8.619 -4.633 0.382 1.00 0.00 S ATOM 67 CE MET A 5 7.339 -3.492 0.937 1.00 0.00 C ATOM 0 H MET A 5 10.110 -7.355 3.718 1.00 0.00 H new ATOM 0 HA MET A 5 8.247 -5.287 3.284 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.728 -6.842 1.755 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.426 -8.003 1.918 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.790 -6.852 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 5 6.864 -6.028 1.239 1.00 0.00 H new ATOM 0 HE1 MET A 5 7.639 -2.469 0.708 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.403 -3.719 0.427 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.200 -3.597 2.013 1.00 0.00 H new ATOM 77 N LYS A 6 6.886 -8.039 4.444 1.00 0.00 N ATOM 78 CA LYS A 6 5.662 -8.518 5.071 1.00 0.00 C ATOM 79 C LYS A 6 5.394 -7.753 6.368 1.00 0.00 C ATOM 80 O LYS A 6 4.244 -7.403 6.616 1.00 0.00 O ATOM 81 CB LYS A 6 5.708 -10.049 5.260 1.00 0.00 C ATOM 82 CG LYS A 6 4.330 -10.706 4.995 1.00 0.00 C ATOM 83 CD LYS A 6 4.372 -11.906 4.024 1.00 0.00 C ATOM 84 CE LYS A 6 4.680 -13.224 4.745 1.00 0.00 C ATOM 85 NZ LYS A 6 4.648 -14.400 3.844 1.00 0.00 N ATOM 0 H LYS A 6 7.664 -8.697 4.488 1.00 0.00 H new ATOM 0 HA LYS A 6 4.816 -8.320 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.450 -10.476 4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.031 -10.280 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.910 -11.037 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.653 -9.952 4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.414 -11.990 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.128 -11.727 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.664 -13.156 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.958 -13.369 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.864 -15.260 4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.702 -14.487 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.356 -14.280 3.091 1.00 0.00 H new ATOM 99 N ASN A 7 6.429 -7.400 7.143 1.00 0.00 N ATOM 100 CA ASN A 7 6.337 -6.474 8.282 1.00 0.00 C ATOM 101 C ASN A 7 5.791 -5.109 7.868 1.00 0.00 C ATOM 102 O ASN A 7 5.043 -4.489 8.625 1.00 0.00 O ATOM 103 CB ASN A 7 7.713 -6.236 8.930 1.00 0.00 C ATOM 104 CG ASN A 7 7.603 -5.686 10.350 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.689 -6.031 11.095 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.528 -4.827 10.752 1.00 0.00 N ATOM 0 H ASN A 7 7.373 -7.757 6.993 1.00 0.00 H new ATOM 0 HA ASN A 7 5.658 -6.949 8.990 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.269 -7.173 8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.284 -5.539 8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.489 -4.440 11.695 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.279 -4.553 10.119 1.00 0.00 H new ATOM 113 N LEU A 8 6.151 -4.620 6.676 1.00 0.00 N ATOM 114 CA LEU A 8 5.625 -3.367 6.159 1.00 0.00 C ATOM 115 C LEU A 8 4.117 -3.505 5.941 1.00 0.00 C ATOM 116 O LEU A 8 3.359 -2.670 6.420 1.00 0.00 O ATOM 117 CB LEU A 8 6.324 -2.901 4.869 1.00 0.00 C ATOM 118 CG LEU A 8 7.625 -2.119 5.118 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.841 -2.988 5.278 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.881 -1.111 4.000 1.00 0.00 C ATOM 0 H LEU A 8 6.811 -5.084 6.052 1.00 0.00 H new ATOM 0 HA LEU A 8 5.827 -2.595 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.546 -3.772 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.637 -2.274 4.300 1.00 0.00 H new ATOM 0 HG LEU A 8 7.467 -1.606 6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.716 -2.361 5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.701 -3.657 6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.989 -3.577 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.807 -0.572 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.966 -1.636 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.053 -0.404 3.951 1.00 0.00 H new ATOM 132 N SER A 9 3.675 -4.572 5.267 1.00 0.00 N ATOM 133 CA SER A 9 2.256 -4.890 5.049 1.00 0.00 C ATOM 134 C SER A 9 1.520 -5.090 6.391 1.00 0.00 C ATOM 135 O SER A 9 0.355 -4.716 6.535 1.00 0.00 O ATOM 136 CB SER A 9 2.183 -6.092 4.074 1.00 0.00 C ATOM 137 OG SER A 9 1.230 -7.099 4.363 1.00 0.00 O ATOM 0 H SER A 9 4.306 -5.255 4.848 1.00 0.00 H new ATOM 0 HA SER A 9 1.725 -4.061 4.582 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.976 -5.706 3.076 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.168 -6.558 4.037 1.00 0.00 H new ATOM 0 HG SER A 9 1.619 -7.980 4.180 1.00 0.00 H new ATOM 143 N LEU A 10 2.220 -5.591 7.412 1.00 0.00 N ATOM 144 CA LEU A 10 1.687 -5.845 8.739 1.00 0.00 C ATOM 145 C LEU A 10 1.346 -4.523 9.397 1.00 0.00 C ATOM 146 O LEU A 10 0.371 -4.405 10.137 1.00 0.00 O ATOM 147 CB LEU A 10 2.755 -6.572 9.570 1.00 0.00 C ATOM 148 CG LEU A 10 2.193 -7.263 10.814 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.730 -8.673 10.481 1.00 0.00 C ATOM 150 CD2 LEU A 10 3.272 -7.340 11.893 1.00 0.00 C ATOM 0 H LEU A 10 3.206 -5.837 7.327 1.00 0.00 H new ATOM 0 HA LEU A 10 0.790 -6.460 8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.249 -7.315 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.517 -5.855 9.875 1.00 0.00 H new ATOM 0 HG LEU A 10 1.344 -6.682 11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.334 -9.147 11.379 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.951 -8.630 9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.573 -9.254 10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.868 -7.833 12.777 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.122 -7.909 11.517 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.597 -6.333 12.155 1.00 0.00 H new ATOM 162 N ASN A 11 2.188 -3.527 9.137 1.00 0.00 N ATOM 163 CA ASN A 11 2.129 -2.268 9.835 1.00 0.00 C ATOM 164 C ASN A 11 1.328 -1.217 9.094 1.00 0.00 C ATOM 165 O ASN A 11 0.733 -0.332 9.698 1.00 0.00 O ATOM 166 CB ASN A 11 3.533 -1.778 10.127 1.00 0.00 C ATOM 167 CG ASN A 11 4.018 -2.342 11.451 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.767 -1.769 12.508 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.692 -3.477 11.415 1.00 0.00 N ATOM 0 H ASN A 11 2.926 -3.580 8.435 1.00 0.00 H new ATOM 0 HA ASN A 11 1.602 -2.440 10.773 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.206 -2.081 9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.547 -0.689 10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.020 -3.903 12.282 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.884 -3.928 10.520 1.00 0.00 H new ATOM 176 N PHE A 12 1.287 -1.310 7.774 1.00 0.00 N ATOM 177 CA PHE A 12 0.523 -0.408 6.948 1.00 0.00 C ATOM 178 C PHE A 12 -0.960 -0.503 7.321 1.00 0.00 C ATOM 179 O PHE A 12 -1.575 0.507 7.666 1.00 0.00 O ATOM 180 CB PHE A 12 0.824 -0.741 5.499 1.00 0.00 C ATOM 181 CG PHE A 12 0.049 0.103 4.513 1.00 0.00 C ATOM 182 CD1 PHE A 12 -1.241 -0.271 4.087 1.00 0.00 C ATOM 183 CD2 PHE A 12 0.622 1.300 4.045 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.919 0.512 3.143 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.066 2.094 3.117 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.324 1.688 2.657 1.00 0.00 C ATOM 0 H PHE A 12 1.791 -2.024 7.247 1.00 0.00 H new ATOM 0 HA PHE A 12 0.799 0.634 7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.891 -0.609 5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.598 -1.792 5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.706 -1.160 4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.594 1.608 4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.895 0.212 2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.372 3.014 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.842 2.285 1.921 1.00 0.00 H new ATOM 196 N GLY A 13 -1.520 -1.714 7.339 1.00 0.00 N ATOM 197 CA GLY A 13 -2.924 -1.935 7.658 1.00 0.00 C ATOM 198 C GLY A 13 -3.220 -2.078 9.155 1.00 0.00 C ATOM 199 O GLY A 13 -4.273 -2.613 9.475 1.00 0.00 O ATOM 0 H GLY A 13 -1.006 -2.570 7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.509 -1.104 7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.263 -2.836 7.146 1.00 0.00 H new ATOM 203 N LYS A 14 -2.373 -1.593 10.081 1.00 0.00 N ATOM 204 CA LYS A 14 -2.695 -1.588 11.523 1.00 0.00 C ATOM 205 C LYS A 14 -4.089 -1.007 11.758 1.00 0.00 C ATOM 206 O LYS A 14 -4.927 -1.625 12.415 1.00 0.00 O ATOM 207 CB LYS A 14 -1.692 -0.733 12.309 1.00 0.00 C ATOM 208 CG LYS A 14 -0.272 -1.299 12.369 1.00 0.00 C ATOM 209 CD LYS A 14 0.128 -1.846 13.732 1.00 0.00 C ATOM 210 CE LYS A 14 -0.429 -3.248 13.977 1.00 0.00 C ATOM 211 NZ LYS A 14 -0.068 -3.690 15.335 1.00 0.00 N ATOM 0 H LYS A 14 -1.459 -1.199 9.858 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.650 -2.622 11.866 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.653 0.260 11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.062 -0.609 13.327 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.179 -2.095 11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.431 -0.516 12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.215 -1.870 13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.230 -1.173 14.511 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.513 -3.246 13.860 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.030 -3.943 13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.447 -4.644 15.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.967 -3.707 15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.469 -3.031 16.033 1.00 0.00 H new ATOM 225 N ALA A 15 -4.321 0.180 11.191 1.00 0.00 N ATOM 226 CA ALA A 15 -5.554 0.934 11.315 1.00 0.00 C ATOM 227 C ALA A 15 -6.643 0.464 10.335 1.00 0.00 C ATOM 228 O ALA A 15 -7.570 1.227 10.065 1.00 0.00 O ATOM 229 CB ALA A 15 -5.241 2.421 11.107 1.00 0.00 C ATOM 0 H ALA A 15 -3.625 0.652 10.614 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.957 0.766 12.314 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.159 3.002 11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.527 2.751 11.861 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.815 2.568 10.115 1.00 0.00 H new ATOM 235 N LEU A 16 -6.530 -0.729 9.729 1.00 0.00 N ATOM 236 CA LEU A 16 -7.417 -1.199 8.656 1.00 0.00 C ATOM 237 C LEU A 16 -8.862 -1.053 9.067 1.00 0.00 C ATOM 238 O LEU A 16 -9.643 -0.408 8.363 1.00 0.00 O ATOM 239 CB LEU A 16 -7.076 -2.663 8.304 1.00 0.00 C ATOM 240 CG LEU A 16 -8.052 -3.471 7.423 1.00 0.00 C ATOM 241 CD1 LEU A 16 -9.082 -4.336 8.149 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.575 -2.723 6.197 1.00 0.00 C ATOM 0 H LEU A 16 -5.807 -1.404 9.976 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.264 -0.588 7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.107 -2.664 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.953 -3.206 9.241 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.396 -4.235 7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.705 -4.851 7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.568 -5.071 8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.708 -3.704 8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.253 -3.369 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.108 -1.828 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.738 -2.439 5.560 1.00 0.00 H new ATOM 254 N ASP A 17 -9.226 -1.655 10.193 1.00 0.00 N ATOM 255 CA ASP A 17 -10.639 -1.754 10.512 1.00 0.00 C ATOM 256 C ASP A 17 -11.169 -0.384 10.974 1.00 0.00 C ATOM 257 O ASP A 17 -12.340 -0.048 10.811 1.00 0.00 O ATOM 258 CB ASP A 17 -10.858 -2.792 11.612 1.00 0.00 C ATOM 259 CG ASP A 17 -12.157 -3.551 11.364 1.00 0.00 C ATOM 260 OD1 ASP A 17 -13.239 -3.042 11.713 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.107 -4.659 10.780 1.00 0.00 O ATOM 0 H ASP A 17 -8.589 -2.066 10.875 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.181 -2.065 9.619 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.020 -3.488 11.638 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.894 -2.301 12.584 1.00 0.00 H new ATOM 266 N GLU A 18 -10.269 0.449 11.507 1.00 0.00 N ATOM 267 CA GLU A 18 -10.553 1.841 11.856 1.00 0.00 C ATOM 268 C GLU A 18 -10.936 2.589 10.578 1.00 0.00 C ATOM 269 O GLU A 18 -12.058 3.073 10.457 1.00 0.00 O ATOM 270 CB GLU A 18 -9.390 2.550 12.587 1.00 0.00 C ATOM 271 CG GLU A 18 -8.645 1.661 13.589 1.00 0.00 C ATOM 272 CD GLU A 18 -7.901 2.442 14.676 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.559 2.864 15.659 1.00 0.00 O ATOM 274 OE2 GLU A 18 -6.655 2.554 14.609 1.00 0.00 O ATOM 0 H GLU A 18 -9.309 0.169 11.710 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.378 1.846 12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.680 2.918 11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.782 3.421 13.112 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.359 0.987 14.063 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.931 1.040 13.048 1.00 0.00 H new ATOM 281 N CYS A 19 -10.034 2.618 9.590 1.00 0.00 N ATOM 282 CA CYS A 19 -10.241 3.205 8.267 1.00 0.00 C ATOM 283 C CYS A 19 -11.446 2.610 7.536 1.00 0.00 C ATOM 284 O CYS A 19 -12.007 3.247 6.646 1.00 0.00 O ATOM 285 CB CYS A 19 -8.962 3.032 7.438 1.00 0.00 C ATOM 286 SG CYS A 19 -7.816 4.399 7.637 1.00 0.00 S ATOM 0 H CYS A 19 -9.103 2.216 9.698 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.461 4.264 8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.469 2.105 7.729 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.227 2.936 6.385 1.00 0.00 H new ATOM 291 N LYS A 20 -11.869 1.394 7.888 1.00 0.00 N ATOM 292 CA LYS A 20 -13.125 0.835 7.435 1.00 0.00 C ATOM 293 C LYS A 20 -14.282 1.621 8.023 1.00 0.00 C ATOM 294 O LYS A 20 -15.075 2.154 7.255 1.00 0.00 O ATOM 295 CB LYS A 20 -13.185 -0.653 7.793 1.00 0.00 C ATOM 296 CG LYS A 20 -12.676 -1.528 6.656 1.00 0.00 C ATOM 297 CD LYS A 20 -12.012 -2.839 7.037 1.00 0.00 C ATOM 298 CE LYS A 20 -12.875 -3.651 7.984 1.00 0.00 C ATOM 299 NZ LYS A 20 -13.986 -4.371 7.333 1.00 0.00 N ATOM 0 H LYS A 20 -11.339 0.773 8.500 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.202 0.913 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.590 -0.836 8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.212 -0.928 8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.517 -1.753 6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.963 -0.945 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.813 -3.421 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.049 -2.636 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.244 -4.374 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.285 -2.985 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.891 -4.035 7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.960 -4.195 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.891 -5.391 7.512 1.00 0.00 H new ATOM 313 N LYS A 21 -14.418 1.690 9.348 1.00 0.00 N ATOM 314 CA LYS A 21 -15.560 2.366 9.965 1.00 0.00 C ATOM 315 C LYS A 21 -15.563 3.858 9.653 1.00 0.00 C ATOM 316 O LYS A 21 -16.631 4.426 9.473 1.00 0.00 O ATOM 317 CB LYS A 21 -15.582 2.106 11.478 1.00 0.00 C ATOM 318 CG LYS A 21 -16.303 0.791 11.803 1.00 0.00 C ATOM 319 CD LYS A 21 -15.582 -0.481 11.341 1.00 0.00 C ATOM 320 CE LYS A 21 -16.461 -1.687 11.648 1.00 0.00 C ATOM 321 NZ LYS A 21 -15.872 -2.933 11.126 1.00 0.00 N ATOM 0 H LYS A 21 -13.755 1.288 10.011 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.472 1.951 9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.561 2.068 11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.080 2.932 11.985 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.452 0.734 12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.292 0.815 11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.374 -0.429 10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.622 -0.575 11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.599 -1.773 12.726 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.448 -1.539 11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.542 -3.717 11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.669 -2.823 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.989 -3.140 11.635 1.00 0.00 H new ATOM 335 N GLU A 22 -14.388 4.470 9.520 1.00 0.00 N ATOM 336 CA GLU A 22 -14.214 5.875 9.171 1.00 0.00 C ATOM 337 C GLU A 22 -14.916 6.277 7.875 1.00 0.00 C ATOM 338 O GLU A 22 -15.273 7.443 7.704 1.00 0.00 O ATOM 339 CB GLU A 22 -12.715 6.119 8.985 1.00 0.00 C ATOM 340 CG GLU A 22 -11.943 6.176 10.307 1.00 0.00 C ATOM 341 CD GLU A 22 -11.996 7.545 10.973 1.00 0.00 C ATOM 342 OE1 GLU A 22 -13.104 8.112 11.097 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.917 8.001 11.420 1.00 0.00 O ATOM 0 H GLU A 22 -13.502 3.983 9.657 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.654 6.469 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.299 5.326 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.570 7.056 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.350 5.430 10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.902 5.908 10.125 1.00 0.00 H new ATOM 350 N MET A 23 -15.039 5.338 6.937 1.00 0.00 N ATOM 351 CA MET A 23 -15.502 5.584 5.585 1.00 0.00 C ATOM 352 C MET A 23 -16.667 4.671 5.171 1.00 0.00 C ATOM 353 O MET A 23 -17.145 4.779 4.041 1.00 0.00 O ATOM 354 CB MET A 23 -14.294 5.461 4.646 1.00 0.00 C ATOM 355 CG MET A 23 -13.098 6.348 5.037 1.00 0.00 C ATOM 356 SD MET A 23 -12.168 7.055 3.654 1.00 0.00 S ATOM 357 CE MET A 23 -11.392 5.544 3.060 1.00 0.00 C ATOM 0 H MET A 23 -14.811 4.359 7.109 1.00 0.00 H new ATOM 0 HA MET A 23 -15.917 6.590 5.524 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.969 4.421 4.625 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.607 5.718 3.634 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.462 7.163 5.662 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.415 5.758 5.648 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.576 5.796 2.383 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.001 4.979 3.906 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.129 4.940 2.531 1.00 0.00 H new ATOM 367 N THR A 24 -17.140 3.799 6.065 1.00 0.00 N ATOM 368 CA THR A 24 -17.888 2.582 5.757 1.00 0.00 C ATOM 369 C THR A 24 -17.267 1.827 4.575 1.00 0.00 C ATOM 370 O THR A 24 -17.724 1.930 3.425 1.00 0.00 O ATOM 371 CB THR A 24 -19.386 2.854 5.564 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.933 3.525 6.687 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.145 1.532 5.366 1.00 0.00 C ATOM 0 H THR A 24 -17.005 3.930 7.068 1.00 0.00 H new ATOM 0 HA THR A 24 -17.813 1.927 6.625 1.00 0.00 H new ATOM 0 HB THR A 24 -19.494 3.485 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.888 3.688 6.538 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.207 1.739 5.230 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.759 1.020 4.485 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.008 0.899 6.243 1.00 0.00 H new ATOM 381 N LEU A 25 -16.254 1.018 4.886 1.00 0.00 N ATOM 382 CA LEU A 25 -15.685 0.046 3.967 1.00 0.00 C ATOM 383 C LEU A 25 -15.989 -1.361 4.474 1.00 0.00 C ATOM 384 O LEU A 25 -16.122 -1.581 5.684 1.00 0.00 O ATOM 385 CB LEU A 25 -14.172 0.225 3.801 1.00 0.00 C ATOM 386 CG LEU A 25 -13.674 1.667 3.610 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.153 1.661 3.428 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.333 2.368 2.417 1.00 0.00 C ATOM 0 H LEU A 25 -15.802 1.024 5.800 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.138 0.202 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.680 -0.194 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.850 -0.365 2.943 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.950 2.227 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.799 2.683 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.683 1.228 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.894 1.068 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.944 3.382 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.113 1.816 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.412 2.405 2.567 1.00 0.00 H new ATOM 400 N THR A 26 -16.073 -2.301 3.543 1.00 0.00 N ATOM 401 CA THR A 26 -16.580 -3.651 3.745 1.00 0.00 C ATOM 402 C THR A 26 -15.517 -4.568 4.362 1.00 0.00 C ATOM 403 O THR A 26 -14.357 -4.178 4.485 1.00 0.00 O ATOM 404 CB THR A 26 -17.098 -4.155 2.385 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.148 -4.059 1.335 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.314 -3.314 1.980 1.00 0.00 C ATOM 0 H THR A 26 -15.776 -2.135 2.581 1.00 0.00 H new ATOM 0 HA THR A 26 -17.399 -3.653 4.464 1.00 0.00 H new ATOM 0 HB THR A 26 -17.336 -5.210 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.136 -3.143 0.988 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.692 -3.660 1.018 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.094 -3.416 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.022 -2.267 1.900 1.00 0.00 H new ATOM 414 N ASP A 27 -15.855 -5.808 4.726 1.00 0.00 N ATOM 415 CA ASP A 27 -14.877 -6.816 5.174 1.00 0.00 C ATOM 416 C ASP A 27 -14.386 -7.669 4.008 1.00 0.00 C ATOM 417 O ASP A 27 -13.424 -8.422 4.137 1.00 0.00 O ATOM 418 CB ASP A 27 -15.451 -7.677 6.306 1.00 0.00 C ATOM 419 CG ASP A 27 -14.419 -7.999 7.385 1.00 0.00 C ATOM 420 OD1 ASP A 27 -13.709 -7.064 7.826 1.00 0.00 O ATOM 421 OD2 ASP A 27 -14.363 -9.176 7.809 1.00 0.00 O ATOM 0 H ASP A 27 -16.817 -6.147 4.720 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.011 -6.288 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.295 -7.157 6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.837 -8.607 5.889 1.00 0.00 H new ATOM 426 N ALA A 28 -14.987 -7.475 2.833 1.00 0.00 N ATOM 427 CA ALA A 28 -14.459 -7.957 1.565 1.00 0.00 C ATOM 428 C ALA A 28 -13.071 -7.374 1.276 1.00 0.00 C ATOM 429 O ALA A 28 -12.297 -8.010 0.567 1.00 0.00 O ATOM 430 CB ALA A 28 -15.429 -7.583 0.443 1.00 0.00 C ATOM 0 H ALA A 28 -15.868 -6.970 2.739 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.355 -9.041 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.039 -7.941 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.400 -8.041 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.541 -6.499 0.405 1.00 0.00 H new ATOM 436 N ILE A 29 -12.738 -6.188 1.812 1.00 0.00 N ATOM 437 CA ILE A 29 -11.385 -5.651 1.676 1.00 0.00 C ATOM 438 C ILE A 29 -10.423 -6.368 2.615 1.00 0.00 C ATOM 439 O ILE A 29 -9.263 -6.536 2.277 1.00 0.00 O ATOM 440 CB ILE A 29 -11.317 -4.124 1.891 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.308 -3.711 3.365 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.352 -3.395 1.023 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.520 -2.219 3.582 1.00 0.00 C ATOM 0 H ILE A 29 -13.381 -5.594 2.336 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.081 -5.835 0.645 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.342 -3.789 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.088 -4.261 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.356 -4.003 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.280 -2.321 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.159 -3.607 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.353 -3.739 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.502 -2.000 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.726 -1.662 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.484 -1.925 3.168 1.00 0.00 H new ATOM 455 N ASN A 30 -10.891 -6.806 3.783 1.00 0.00 N ATOM 456 CA ASN A 30 -10.153 -7.737 4.619 1.00 0.00 C ATOM 457 C ASN A 30 -9.783 -8.986 3.820 1.00 0.00 C ATOM 458 O ASN A 30 -8.657 -9.452 3.945 1.00 0.00 O ATOM 459 CB ASN A 30 -10.871 -7.923 5.961 1.00 0.00 C ATOM 460 CG ASN A 30 -10.775 -9.347 6.449 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.935 -9.721 7.257 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.671 -10.157 5.923 1.00 0.00 N ATOM 0 H ASN A 30 -11.791 -6.523 4.171 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.181 -7.343 4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.436 -7.253 6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.919 -7.644 5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.684 -11.142 6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.352 -9.799 5.253 1.00 0.00 H new ATOM 469 N GLU A 31 -10.637 -9.455 2.905 1.00 0.00 N ATOM 470 CA GLU A 31 -10.277 -10.567 2.030 1.00 0.00 C ATOM 471 C GLU A 31 -9.298 -10.194 0.907 1.00 0.00 C ATOM 472 O GLU A 31 -8.790 -11.105 0.250 1.00 0.00 O ATOM 473 CB GLU A 31 -11.530 -11.242 1.437 1.00 0.00 C ATOM 474 CG GLU A 31 -11.545 -12.710 1.883 1.00 0.00 C ATOM 475 CD GLU A 31 -12.513 -13.605 1.117 1.00 0.00 C ATOM 476 OE1 GLU A 31 -12.255 -13.916 -0.070 1.00 0.00 O ATOM 477 OE2 GLU A 31 -13.459 -14.135 1.746 1.00 0.00 O ATOM 0 H GLU A 31 -11.575 -9.083 2.754 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.752 -11.273 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.432 -10.733 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.518 -11.176 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.539 -13.116 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.798 -12.750 2.943 1.00 0.00 H new ATOM 484 N ASP A 32 -9.039 -8.909 0.656 1.00 0.00 N ATOM 485 CA ASP A 32 -7.882 -8.421 -0.106 1.00 0.00 C ATOM 486 C ASP A 32 -6.669 -8.452 0.810 1.00 0.00 C ATOM 487 O ASP A 32 -5.861 -9.357 0.667 1.00 0.00 O ATOM 488 CB ASP A 32 -8.128 -7.032 -0.717 1.00 0.00 C ATOM 489 CG ASP A 32 -6.943 -6.431 -1.482 1.00 0.00 C ATOM 490 OD1 ASP A 32 -5.840 -7.013 -1.521 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.110 -5.297 -1.985 1.00 0.00 O ATOM 0 H ASP A 32 -9.644 -8.156 0.985 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.705 -9.072 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.980 -7.097 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.408 -6.346 0.083 1.00 0.00 H new ATOM 496 N PHE A 33 -6.580 -7.551 1.796 1.00 0.00 N ATOM 497 CA PHE A 33 -5.423 -7.346 2.677 1.00 0.00 C ATOM 498 C PHE A 33 -4.832 -8.666 3.189 1.00 0.00 C ATOM 499 O PHE A 33 -3.612 -8.840 3.136 1.00 0.00 O ATOM 500 CB PHE A 33 -5.860 -6.420 3.845 1.00 0.00 C ATOM 501 CG PHE A 33 -5.976 -4.947 3.487 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.819 -4.162 3.349 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.232 -4.341 3.309 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.907 -2.818 2.945 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.329 -3.005 2.887 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.165 -2.248 2.684 1.00 0.00 C ATOM 0 H PHE A 33 -7.348 -6.915 2.012 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.622 -6.873 2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.823 -6.764 4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.144 -6.525 4.660 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.852 -4.595 3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.131 -4.908 3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.011 -2.226 2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.299 -2.561 2.719 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.236 -1.231 2.328 1.00 0.00 H new ATOM 516 N TYR A 34 -5.683 -9.603 3.616 1.00 0.00 N ATOM 517 CA TYR A 34 -5.333 -10.950 4.042 1.00 0.00 C ATOM 518 C TYR A 34 -4.604 -11.737 2.946 1.00 0.00 C ATOM 519 O TYR A 34 -3.523 -12.280 3.183 1.00 0.00 O ATOM 520 CB TYR A 34 -6.655 -11.633 4.419 1.00 0.00 C ATOM 521 CG TYR A 34 -6.641 -13.079 4.862 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.504 -13.672 5.444 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.838 -13.810 4.759 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.565 -14.992 5.920 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.906 -15.132 5.229 1.00 0.00 C ATOM 526 CZ TYR A 34 -6.767 -15.727 5.816 1.00 0.00 C ATOM 527 OH TYR A 34 -6.841 -16.997 6.298 1.00 0.00 O ATOM 0 H TYR A 34 -6.686 -9.428 3.675 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.641 -10.914 4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.108 -11.049 5.220 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.318 -11.561 3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.584 -13.111 5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.710 -13.352 4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.692 -15.446 6.366 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.826 -15.692 5.142 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.741 -17.353 6.144 1.00 0.00 H new ATOM 537 N ASN A 35 -5.209 -11.827 1.759 1.00 0.00 N ATOM 538 CA ASN A 35 -4.788 -12.639 0.614 1.00 0.00 C ATOM 539 C ASN A 35 -3.925 -11.845 -0.370 1.00 0.00 C ATOM 540 O ASN A 35 -3.649 -12.326 -1.467 1.00 0.00 O ATOM 541 CB ASN A 35 -6.015 -13.155 -0.139 1.00 0.00 C ATOM 542 CG ASN A 35 -6.821 -14.169 0.642 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.347 -15.270 0.911 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.057 -13.844 0.967 1.00 0.00 N ATOM 0 H ASN A 35 -6.060 -11.301 1.559 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.198 -13.465 1.011 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.656 -12.311 -0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.692 -13.605 -1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.649 -14.515 1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.421 -12.921 0.729 1.00 0.00 H new ATOM 551 N PHE A 36 -3.511 -10.630 -0.028 1.00 0.00 N ATOM 552 CA PHE A 36 -2.809 -9.704 -0.906 1.00 0.00 C ATOM 553 C PHE A 36 -1.558 -10.336 -1.530 1.00 0.00 C ATOM 554 O PHE A 36 -1.208 -10.037 -2.673 1.00 0.00 O ATOM 555 CB PHE A 36 -2.504 -8.467 -0.062 1.00 0.00 C ATOM 556 CG PHE A 36 -1.735 -7.356 -0.747 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.325 -6.586 -1.764 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.439 -7.048 -0.313 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.598 -5.554 -2.394 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.260 -5.977 -0.895 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.284 -5.269 -1.975 1.00 0.00 C ATOM 0 H PHE A 36 -3.662 -10.249 0.906 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.421 -9.430 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.448 -8.058 0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.939 -8.783 0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.343 -6.786 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.023 -7.633 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.047 -4.985 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.227 -5.696 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.298 -4.513 -2.481 1.00 0.00 H new ATOM 571 N TRP A 37 -0.947 -11.280 -0.819 1.00 0.00 N ATOM 572 CA TRP A 37 0.236 -12.045 -1.201 1.00 0.00 C ATOM 573 C TRP A 37 -0.050 -13.511 -1.594 1.00 0.00 C ATOM 574 O TRP A 37 0.838 -14.363 -1.508 1.00 0.00 O ATOM 575 CB TRP A 37 1.276 -11.918 -0.079 1.00 0.00 C ATOM 576 CG TRP A 37 1.685 -10.529 0.300 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.683 -10.008 1.547 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.184 -9.477 -0.574 1.00 0.00 C ATOM 579 NE1 TRP A 37 2.219 -8.735 1.515 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.580 -8.372 0.231 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.351 -9.351 -1.968 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.156 -7.220 -0.330 1.00 0.00 C ATOM 583 CZ3 TRP A 37 2.870 -8.184 -2.544 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.265 -7.119 -1.729 1.00 0.00 C ATOM 0 H TRP A 37 -1.290 -11.549 0.103 1.00 0.00 H new ATOM 0 HA TRP A 37 0.633 -11.618 -2.122 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.881 -12.411 0.809 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.169 -12.467 -0.378 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.319 -10.509 2.432 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.334 -8.139 2.335 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.072 -10.175 -2.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.511 -6.422 0.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.965 -8.107 -3.617 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.655 -6.216 -2.175 1.00 0.00 H new ATOM 595 N LYS A 38 -1.268 -13.841 -2.046 1.00 0.00 N ATOM 596 CA LYS A 38 -1.589 -15.113 -2.673 1.00 0.00 C ATOM 597 C LYS A 38 -0.858 -15.251 -4.003 1.00 0.00 C ATOM 598 O LYS A 38 -0.555 -14.283 -4.702 1.00 0.00 O ATOM 599 CB LYS A 38 -3.082 -15.171 -2.975 1.00 0.00 C ATOM 600 CG LYS A 38 -3.866 -16.150 -2.113 1.00 0.00 C ATOM 601 CD LYS A 38 -5.127 -16.546 -2.882 1.00 0.00 C ATOM 602 CE LYS A 38 -6.198 -17.012 -1.911 1.00 0.00 C ATOM 603 NZ LYS A 38 -7.481 -17.248 -2.610 1.00 0.00 N ATOM 0 H LYS A 38 -2.068 -13.212 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.291 -15.909 -1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.504 -14.175 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.217 -15.441 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.263 -17.030 -1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.128 -15.693 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.492 -15.698 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.896 -17.340 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.874 -17.929 -1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.337 -16.264 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.196 -17.566 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.799 -16.365 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.350 -17.979 -3.338 1.00 0.00 H new ATOM 617 N GLU A 39 -0.804 -16.498 -4.445 1.00 0.00 N ATOM 618 CA GLU A 39 -0.203 -16.988 -5.684 1.00 0.00 C ATOM 619 C GLU A 39 -0.999 -16.764 -6.981 1.00 0.00 C ATOM 620 O GLU A 39 -0.747 -17.418 -7.993 1.00 0.00 O ATOM 621 CB GLU A 39 0.098 -18.489 -5.485 1.00 0.00 C ATOM 622 CG GLU A 39 -1.182 -19.269 -5.108 1.00 0.00 C ATOM 623 CD GLU A 39 -1.324 -20.588 -5.858 1.00 0.00 C ATOM 624 OE1 GLU A 39 -1.762 -20.544 -7.028 1.00 0.00 O ATOM 625 OE2 GLU A 39 -1.018 -21.657 -5.281 1.00 0.00 O ATOM 0 H GLU A 39 -1.213 -17.260 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 39 0.692 -16.388 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.523 -18.902 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.846 -18.612 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.177 -19.467 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.053 -18.646 -5.313 1.00 0.00 H new ATOM 632 N GLY A 40 -1.873 -15.766 -7.012 1.00 0.00 N ATOM 633 CA GLY A 40 -2.586 -15.381 -8.231 1.00 0.00 C ATOM 634 C GLY A 40 -3.722 -14.399 -7.988 1.00 0.00 C ATOM 635 O GLY A 40 -4.608 -14.268 -8.826 1.00 0.00 O ATOM 0 H GLY A 40 -2.110 -15.200 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.878 -14.938 -8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.987 -16.277 -8.706 1.00 0.00 H new ATOM 639 N TYR A 41 -3.748 -13.773 -6.811 1.00 0.00 N ATOM 640 CA TYR A 41 -4.891 -12.967 -6.398 1.00 0.00 C ATOM 641 C TYR A 41 -4.986 -11.665 -7.191 1.00 0.00 C ATOM 642 O TYR A 41 -4.038 -10.871 -7.196 1.00 0.00 O ATOM 643 CB TYR A 41 -4.766 -12.710 -4.902 1.00 0.00 C ATOM 644 CG TYR A 41 -5.950 -12.054 -4.234 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.238 -10.694 -4.436 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.766 -12.825 -3.389 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.340 -10.115 -3.777 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.871 -12.261 -2.745 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.161 -10.900 -2.940 1.00 0.00 C ATOM 650 OH TYR A 41 -9.276 -10.387 -2.353 1.00 0.00 O ATOM 0 H TYR A 41 -2.990 -13.810 -6.129 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.816 -13.506 -6.605 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.578 -13.662 -4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.889 -12.085 -4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.620 -10.098 -5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.536 -13.869 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.557 -9.066 -3.913 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.496 -12.865 -2.104 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.366 -10.751 -1.448 1.00 0.00 H new ATOM 660 N GLU A 42 -6.154 -11.412 -7.786 1.00 0.00 N ATOM 661 CA GLU A 42 -6.548 -10.107 -8.286 1.00 0.00 C ATOM 662 C GLU A 42 -7.502 -9.383 -7.346 1.00 0.00 C ATOM 663 O GLU A 42 -8.213 -9.991 -6.549 1.00 0.00 O ATOM 664 CB GLU A 42 -7.245 -10.248 -9.640 1.00 0.00 C ATOM 665 CG GLU A 42 -6.279 -10.362 -10.815 1.00 0.00 C ATOM 666 CD GLU A 42 -6.147 -11.777 -11.359 1.00 0.00 C ATOM 667 OE1 GLU A 42 -7.184 -12.370 -11.753 1.00 0.00 O ATOM 668 OE2 GLU A 42 -4.993 -12.212 -11.589 1.00 0.00 O ATOM 0 H GLU A 42 -6.863 -12.130 -7.933 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.631 -9.524 -8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.885 -11.130 -9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.894 -9.387 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.615 -9.703 -11.616 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.296 -10.009 -10.503 1.00 0.00 H new ATOM 675 N ILE A 43 -7.518 -8.066 -7.515 1.00 0.00 N ATOM 676 CA ILE A 43 -7.918 -7.035 -6.587 1.00 0.00 C ATOM 677 C ILE A 43 -8.910 -6.152 -7.345 1.00 0.00 C ATOM 678 O ILE A 43 -8.508 -5.457 -8.286 1.00 0.00 O ATOM 679 CB ILE A 43 -6.640 -6.258 -6.177 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.638 -7.155 -5.415 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.025 -5.042 -5.340 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.389 -6.436 -4.906 1.00 0.00 C ATOM 0 H ILE A 43 -7.218 -7.660 -8.401 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.388 -7.413 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.139 -5.925 -7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.150 -7.607 -4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.329 -7.969 -6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.125 -4.498 -5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.673 -4.389 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.552 -5.369 -4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.747 -7.146 -4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.847 -6.007 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.681 -5.641 -4.220 1.00 0.00 H new ATOM 694 N LYS A 44 -10.198 -6.177 -6.985 1.00 0.00 N ATOM 695 CA LYS A 44 -11.247 -5.505 -7.752 1.00 0.00 C ATOM 696 C LYS A 44 -12.071 -4.477 -6.962 1.00 0.00 C ATOM 697 O LYS A 44 -12.742 -3.657 -7.594 1.00 0.00 O ATOM 698 CB LYS A 44 -12.185 -6.574 -8.348 1.00 0.00 C ATOM 699 CG LYS A 44 -11.581 -7.708 -9.203 1.00 0.00 C ATOM 700 CD LYS A 44 -11.173 -7.293 -10.622 1.00 0.00 C ATOM 701 CE LYS A 44 -9.790 -6.643 -10.628 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.326 -6.318 -11.983 1.00 0.00 N ATOM 0 H LYS A 44 -10.540 -6.663 -6.156 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.739 -4.931 -8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.724 -7.037 -7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.924 -6.058 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.705 -8.105 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.306 -8.519 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.170 -8.167 -11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.908 -6.596 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.818 -5.733 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.074 -7.315 -10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.384 -5.880 -11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.272 -7.188 -12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.992 -5.655 -12.429 1.00 0.00 H new ATOM 716 N ASN A 45 -12.077 -4.498 -5.630 1.00 0.00 N ATOM 717 CA ASN A 45 -12.810 -3.562 -4.783 1.00 0.00 C ATOM 718 C ASN A 45 -12.051 -2.246 -4.705 1.00 0.00 C ATOM 719 O ASN A 45 -11.041 -2.155 -4.012 1.00 0.00 O ATOM 720 CB ASN A 45 -12.974 -4.128 -3.359 1.00 0.00 C ATOM 721 CG ASN A 45 -13.989 -5.255 -3.325 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.758 -6.325 -3.875 1.00 0.00 O ATOM 723 ND2 ASN A 45 -15.163 -5.049 -2.765 1.00 0.00 N ATOM 0 H ASN A 45 -11.554 -5.191 -5.094 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.797 -3.404 -5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.012 -4.492 -2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -13.289 -3.332 -2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.875 -5.779 -2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.360 -4.160 -2.306 1.00 0.00 H new ATOM 730 N ARG A 46 -12.564 -1.166 -5.298 1.00 0.00 N ATOM 731 CA ARG A 46 -12.023 0.170 -5.094 1.00 0.00 C ATOM 732 C ARG A 46 -12.034 0.576 -3.623 1.00 0.00 C ATOM 733 O ARG A 46 -11.245 1.429 -3.231 1.00 0.00 O ATOM 734 CB ARG A 46 -12.787 1.135 -6.006 1.00 0.00 C ATOM 735 CG ARG A 46 -14.145 1.623 -5.467 1.00 0.00 C ATOM 736 CD ARG A 46 -15.128 1.929 -6.604 1.00 0.00 C ATOM 737 NE ARG A 46 -15.402 3.361 -6.833 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.593 3.835 -7.221 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.692 3.105 -7.064 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.688 5.030 -7.786 1.00 0.00 N ATOM 0 H ARG A 46 -13.364 -1.197 -5.930 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.968 0.196 -5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.157 2.004 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.951 0.646 -6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.571 0.863 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.997 2.518 -4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.737 1.499 -7.526 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -16.071 1.425 -6.392 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.643 4.026 -6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.632 2.177 -6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.595 3.473 -7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.851 5.595 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.598 5.385 -8.079 1.00 0.00 H new ATOM 754 N GLU A 47 -12.877 -0.046 -2.793 1.00 0.00 N ATOM 755 CA GLU A 47 -12.839 0.159 -1.352 1.00 0.00 C ATOM 756 C GLU A 47 -11.450 -0.186 -0.781 1.00 0.00 C ATOM 757 O GLU A 47 -11.016 0.491 0.148 1.00 0.00 O ATOM 758 CB GLU A 47 -13.973 -0.608 -0.637 1.00 0.00 C ATOM 759 CG GLU A 47 -15.386 -0.110 -1.016 1.00 0.00 C ATOM 760 CD GLU A 47 -16.483 -0.751 -0.146 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.200 -1.088 1.013 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.632 -0.929 -0.647 1.00 0.00 O ATOM 0 H GLU A 47 -13.597 -0.699 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.012 1.218 -1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.893 -1.668 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.840 -0.516 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.428 0.974 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.579 -0.335 -2.065 1.00 0.00 H new ATOM 769 N THR A 48 -10.713 -1.165 -1.329 1.00 0.00 N ATOM 770 CA THR A 48 -9.366 -1.482 -0.852 1.00 0.00 C ATOM 771 C THR A 48 -8.412 -0.352 -1.257 1.00 0.00 C ATOM 772 O THR A 48 -7.625 0.129 -0.443 1.00 0.00 O ATOM 773 CB THR A 48 -8.875 -2.862 -1.332 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.398 -2.873 -2.655 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.872 -4.008 -1.211 1.00 0.00 C ATOM 0 H THR A 48 -11.031 -1.748 -2.103 1.00 0.00 H new ATOM 0 HA THR A 48 -9.391 -1.552 0.235 1.00 0.00 H new ATOM 0 HB THR A 48 -8.062 -3.036 -0.627 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.858 -3.677 -2.801 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.416 -4.927 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.155 -4.136 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.760 -3.782 -1.802 1.00 0.00 H new ATOM 783 N GLY A 49 -8.554 0.146 -2.490 1.00 0.00 N ATOM 784 CA GLY A 49 -7.874 1.325 -3.003 1.00 0.00 C ATOM 785 C GLY A 49 -8.012 2.508 -2.042 1.00 0.00 C ATOM 786 O GLY A 49 -7.024 3.136 -1.667 1.00 0.00 O ATOM 0 H GLY A 49 -9.171 -0.283 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.819 1.100 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.289 1.593 -3.975 1.00 0.00 H new ATOM 790 N CYS A 50 -9.242 2.805 -1.610 1.00 0.00 N ATOM 791 CA CYS A 50 -9.485 3.877 -0.652 1.00 0.00 C ATOM 792 C CYS A 50 -8.991 3.553 0.762 1.00 0.00 C ATOM 793 O CYS A 50 -8.569 4.479 1.456 1.00 0.00 O ATOM 794 CB CYS A 50 -10.957 4.307 -0.668 1.00 0.00 C ATOM 795 SG CYS A 50 -11.133 5.912 -1.483 1.00 0.00 S ATOM 0 H CYS A 50 -10.083 2.314 -1.912 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.885 4.727 -0.977 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.556 3.560 -1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.337 4.366 0.352 1.00 0.00 H new ATOM 800 N ALA A 51 -8.978 2.286 1.201 1.00 0.00 N ATOM 801 CA ALA A 51 -8.269 1.927 2.428 1.00 0.00 C ATOM 802 C ALA A 51 -6.809 2.330 2.285 1.00 0.00 C ATOM 803 O ALA A 51 -6.319 3.042 3.148 1.00 0.00 O ATOM 804 CB ALA A 51 -8.368 0.442 2.801 1.00 0.00 C ATOM 0 H ALA A 51 -9.443 1.509 0.732 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.753 2.467 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.815 0.261 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.414 0.172 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.945 -0.163 1.999 1.00 0.00 H new ATOM 810 N ILE A 52 -6.112 1.920 1.222 1.00 0.00 N ATOM 811 CA ILE A 52 -4.686 2.197 1.037 1.00 0.00 C ATOM 812 C ILE A 52 -4.411 3.693 1.251 1.00 0.00 C ATOM 813 O ILE A 52 -3.494 4.041 1.998 1.00 0.00 O ATOM 814 CB ILE A 52 -4.214 1.642 -0.329 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.249 0.096 -0.335 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.790 2.081 -0.717 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.387 -0.490 -1.747 1.00 0.00 C ATOM 0 H ILE A 52 -6.525 1.382 0.460 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.090 1.678 1.788 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.910 2.057 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.337 -0.285 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.082 -0.246 0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.529 1.654 -1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.748 3.169 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.084 1.732 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.406 -1.578 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.313 -0.134 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.540 -0.174 -2.356 1.00 0.00 H new ATOM 829 N MET A 53 -5.226 4.582 0.683 1.00 0.00 N ATOM 830 CA MET A 53 -5.100 6.014 0.928 1.00 0.00 C ATOM 831 C MET A 53 -5.312 6.357 2.416 1.00 0.00 C ATOM 832 O MET A 53 -4.475 7.036 3.009 1.00 0.00 O ATOM 833 CB MET A 53 -6.061 6.755 -0.005 1.00 0.00 C ATOM 834 CG MET A 53 -5.805 8.261 0.014 1.00 0.00 C ATOM 835 SD MET A 53 -6.545 9.149 -1.379 1.00 0.00 S ATOM 836 CE MET A 53 -8.286 8.721 -1.145 1.00 0.00 C ATOM 0 H MET A 53 -5.983 4.331 0.047 1.00 0.00 H new ATOM 0 HA MET A 53 -4.085 6.342 0.704 1.00 0.00 H new ATOM 0 HB2 MET A 53 -5.947 6.378 -1.021 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.089 6.555 0.296 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.195 8.674 0.944 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.729 8.437 0.014 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.907 9.375 -1.757 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.449 7.685 -1.441 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.553 8.845 -0.096 1.00 0.00 H new ATOM 846 N CYS A 54 -6.379 5.851 3.041 1.00 0.00 N ATOM 847 CA CYS A 54 -6.676 6.045 4.462 1.00 0.00 C ATOM 848 C CYS A 54 -5.518 5.586 5.365 1.00 0.00 C ATOM 849 O CYS A 54 -4.998 6.385 6.143 1.00 0.00 O ATOM 850 CB CYS A 54 -7.999 5.348 4.813 1.00 0.00 C ATOM 851 SG CYS A 54 -8.673 5.784 6.430 1.00 0.00 S ATOM 0 H CYS A 54 -7.076 5.282 2.561 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.790 7.113 4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.737 5.592 4.049 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.847 4.269 4.776 1.00 0.00 H new ATOM 856 N LEU A 55 -5.078 4.322 5.283 1.00 0.00 N ATOM 857 CA LEU A 55 -3.910 3.804 5.951 1.00 0.00 C ATOM 858 C LEU A 55 -2.688 4.694 5.730 1.00 0.00 C ATOM 859 O LEU A 55 -2.023 5.031 6.704 1.00 0.00 O ATOM 860 CB LEU A 55 -3.749 2.411 5.341 1.00 0.00 C ATOM 861 CG LEU A 55 -4.645 1.314 5.939 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.853 1.380 7.455 1.00 0.00 C ATOM 863 CD2 LEU A 55 -6.028 1.179 5.362 1.00 0.00 C ATOM 0 H LEU A 55 -5.557 3.617 4.723 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.012 3.771 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.951 2.477 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.709 2.105 5.450 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.036 0.454 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.500 0.561 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.890 1.296 7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.318 2.330 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.557 0.372 5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.573 2.113 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.958 0.955 4.298 1.00 0.00 H new ATOM 875 N SER A 56 -2.412 5.122 4.492 1.00 0.00 N ATOM 876 CA SER A 56 -1.336 6.069 4.205 1.00 0.00 C ATOM 877 C SER A 56 -1.461 7.332 5.071 1.00 0.00 C ATOM 878 O SER A 56 -0.511 7.673 5.778 1.00 0.00 O ATOM 879 CB SER A 56 -1.266 6.433 2.715 1.00 0.00 C ATOM 880 OG SER A 56 -1.145 5.286 1.890 1.00 0.00 O ATOM 0 H SER A 56 -2.929 4.821 3.666 1.00 0.00 H new ATOM 0 HA SER A 56 -0.401 5.571 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.162 6.987 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.416 7.094 2.543 1.00 0.00 H new ATOM 0 HG SER A 56 -1.984 4.779 1.909 1.00 0.00 H new ATOM 886 N THR A 57 -2.616 8.007 5.077 1.00 0.00 N ATOM 887 CA THR A 57 -2.844 9.137 5.972 1.00 0.00 C ATOM 888 C THR A 57 -2.482 8.772 7.406 1.00 0.00 C ATOM 889 O THR A 57 -1.704 9.482 8.043 1.00 0.00 O ATOM 890 CB THR A 57 -4.296 9.626 5.886 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.431 10.354 4.691 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.662 10.487 7.098 1.00 0.00 C ATOM 0 H THR A 57 -3.405 7.787 4.470 1.00 0.00 H new ATOM 0 HA THR A 57 -2.196 9.953 5.653 1.00 0.00 H new ATOM 0 HB THR A 57 -4.978 8.776 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.352 10.678 4.608 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.696 10.819 7.009 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.546 9.900 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.004 11.355 7.139 1.00 0.00 H new ATOM 900 N LYS A 58 -3.032 7.671 7.918 1.00 0.00 N ATOM 901 CA LYS A 58 -2.893 7.323 9.325 1.00 0.00 C ATOM 902 C LYS A 58 -1.444 7.046 9.710 1.00 0.00 C ATOM 903 O LYS A 58 -1.137 6.987 10.898 1.00 0.00 O ATOM 904 CB LYS A 58 -3.767 6.114 9.654 1.00 0.00 C ATOM 905 CG LYS A 58 -5.266 6.337 9.376 1.00 0.00 C ATOM 906 CD LYS A 58 -6.128 6.316 10.644 1.00 0.00 C ATOM 907 CE LYS A 58 -7.564 6.752 10.315 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.225 7.401 11.465 1.00 0.00 N ATOM 0 H LYS A 58 -3.580 7.005 7.374 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.224 8.182 9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.422 5.259 9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.636 5.858 10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.396 7.295 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.620 5.566 8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.133 5.314 11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.701 6.981 11.394 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.549 7.441 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.145 5.883 10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.245 7.479 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.071 6.831 12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.825 8.351 11.605 1.00 0.00 H new ATOM 922 N LEU A 59 -0.540 6.851 8.748 1.00 0.00 N ATOM 923 CA LEU A 59 0.880 6.640 9.000 1.00 0.00 C ATOM 924 C LEU A 59 1.701 7.890 8.676 1.00 0.00 C ATOM 925 O LEU A 59 2.924 7.821 8.708 1.00 0.00 O ATOM 926 CB LEU A 59 1.356 5.386 8.249 1.00 0.00 C ATOM 927 CG LEU A 59 0.820 4.129 8.973 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.396 3.041 7.992 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.837 3.596 9.995 1.00 0.00 C ATOM 0 H LEU A 59 -0.782 6.836 7.757 1.00 0.00 H new ATOM 0 HA LEU A 59 1.036 6.462 10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.000 5.407 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.445 5.362 8.210 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.073 4.432 9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.026 2.177 8.544 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.393 3.423 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.252 2.745 7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.430 2.712 10.487 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.763 3.333 9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.040 4.365 10.741 1.00 0.00 H new ATOM 941 N ASN A 60 1.054 9.035 8.420 1.00 0.00 N ATOM 942 CA ASN A 60 1.669 10.290 7.978 1.00 0.00 C ATOM 943 C ASN A 60 2.429 10.077 6.659 1.00 0.00 C ATOM 944 O ASN A 60 3.499 10.641 6.436 1.00 0.00 O ATOM 945 CB ASN A 60 2.523 10.884 9.111 1.00 0.00 C ATOM 946 CG ASN A 60 2.817 12.369 8.935 1.00 0.00 C ATOM 947 OD1 ASN A 60 2.124 13.213 9.493 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.869 12.699 8.217 1.00 0.00 N ATOM 0 H ASN A 60 0.042 9.113 8.520 1.00 0.00 H new ATOM 0 HA ASN A 60 0.901 11.032 7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.009 10.733 10.060 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.465 10.339 9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.128 13.680 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.426 11.974 7.765 1.00 0.00 H new ATOM 955 N MET A 61 1.890 9.226 5.779 1.00 0.00 N ATOM 956 CA MET A 61 2.499 8.960 4.473 1.00 0.00 C ATOM 957 C MET A 61 1.996 9.929 3.405 1.00 0.00 C ATOM 958 O MET A 61 2.529 9.895 2.293 1.00 0.00 O ATOM 959 CB MET A 61 2.280 7.500 4.034 1.00 0.00 C ATOM 960 CG MET A 61 3.268 6.556 4.714 1.00 0.00 C ATOM 961 SD MET A 61 2.700 4.844 4.914 1.00 0.00 S ATOM 962 CE MET A 61 2.965 4.307 3.213 1.00 0.00 C ATOM 0 H MET A 61 1.028 8.708 5.950 1.00 0.00 H new ATOM 0 HA MET A 61 3.571 9.119 4.585 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.261 7.196 4.274 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.389 7.424 2.952 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.193 6.549 4.137 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.509 6.958 5.698 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.674 3.261 3.112 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.363 4.918 2.541 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.019 4.417 2.957 1.00 0.00 H new ATOM 972 N LEU A 62 1.013 10.778 3.714 1.00 0.00 N ATOM 973 CA LEU A 62 0.600 11.857 2.833 1.00 0.00 C ATOM 974 C LEU A 62 1.163 13.154 3.393 1.00 0.00 C ATOM 975 O LEU A 62 1.232 13.324 4.610 1.00 0.00 O ATOM 976 CB LEU A 62 -0.925 11.930 2.683 1.00 0.00 C ATOM 977 CG LEU A 62 -1.592 10.653 2.134 1.00 0.00 C ATOM 978 CD1 LEU A 62 -3.039 10.983 1.765 1.00 0.00 C ATOM 979 CD2 LEU A 62 -0.900 10.060 0.898 1.00 0.00 C ATOM 0 H LEU A 62 0.484 10.731 4.585 1.00 0.00 H new ATOM 0 HA LEU A 62 0.988 11.677 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.359 12.158 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.170 12.762 2.022 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.520 9.902 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.527 10.090 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.571 11.329 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.052 11.765 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.433 9.165 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.904 10.793 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.129 9.800 1.147 1.00 0.00 H new ATOM 991 N ASP A 63 1.586 14.033 2.493 1.00 0.00 N ATOM 992 CA ASP A 63 2.207 15.325 2.776 1.00 0.00 C ATOM 993 C ASP A 63 1.130 16.403 3.040 1.00 0.00 C ATOM 994 O ASP A 63 -0.069 16.079 3.075 1.00 0.00 O ATOM 995 CB ASP A 63 3.203 15.633 1.637 1.00 0.00 C ATOM 996 CG ASP A 63 2.619 16.243 0.351 1.00 0.00 C ATOM 997 OD1 ASP A 63 1.377 16.319 0.209 1.00 0.00 O ATOM 998 OD2 ASP A 63 3.418 16.561 -0.546 1.00 0.00 O ATOM 0 H ASP A 63 1.501 13.856 1.492 1.00 0.00 H new ATOM 0 HA ASP A 63 2.785 15.310 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.960 16.315 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.713 14.707 1.372 1.00 0.00 H new ATOM 1003 N PRO A 64 1.480 17.683 3.283 1.00 0.00 N ATOM 1004 CA PRO A 64 0.476 18.698 3.595 1.00 0.00 C ATOM 1005 C PRO A 64 -0.152 19.275 2.312 1.00 0.00 C ATOM 1006 O PRO A 64 -0.495 20.459 2.253 1.00 0.00 O ATOM 1007 CB PRO A 64 1.274 19.747 4.381 1.00 0.00 C ATOM 1008 CG PRO A 64 2.653 19.709 3.738 1.00 0.00 C ATOM 1009 CD PRO A 64 2.823 18.248 3.340 1.00 0.00 C ATOM 0 HA PRO A 64 -0.372 18.312 4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.822 20.736 4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.320 19.502 5.442 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.710 20.369 2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.429 20.028 4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.322 18.163 2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.439 17.716 4.065 1.00 0.00 H new ATOM 1017 N GLU A 65 -0.448 18.418 1.341 1.00 0.00 N ATOM 1018 CA GLU A 65 -1.119 18.709 0.080 1.00 0.00 C ATOM 1019 C GLU A 65 -1.888 17.461 -0.374 1.00 0.00 C ATOM 1020 O GLU A 65 -2.943 17.581 -1.000 1.00 0.00 O ATOM 1021 CB GLU A 65 -0.100 19.094 -1.008 1.00 0.00 C ATOM 1022 CG GLU A 65 0.824 20.273 -0.666 1.00 0.00 C ATOM 1023 CD GLU A 65 1.861 20.501 -1.772 1.00 0.00 C ATOM 1024 OE1 GLU A 65 1.490 20.921 -2.892 1.00 0.00 O ATOM 1025 OE2 GLU A 65 3.065 20.251 -1.541 1.00 0.00 O ATOM 0 H GLU A 65 -0.208 17.430 1.421 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.801 19.546 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.518 18.223 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.644 19.335 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.230 21.176 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.332 20.079 0.279 1.00 0.00 H new ATOM 1032 N GLY A 66 -1.377 16.267 -0.054 1.00 0.00 N ATOM 1033 CA GLY A 66 -2.005 14.972 -0.268 1.00 0.00 C ATOM 1034 C GLY A 66 -1.123 13.999 -1.054 1.00 0.00 C ATOM 1035 O GLY A 66 -1.550 12.865 -1.292 1.00 0.00 O ATOM 0 H GLY A 66 -0.461 16.181 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.251 14.531 0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.944 15.114 -0.802 1.00 0.00 H new ATOM 1039 N ASN A 67 0.078 14.403 -1.475 1.00 0.00 N ATOM 1040 CA ASN A 67 0.998 13.563 -2.245 1.00 0.00 C ATOM 1041 C ASN A 67 1.678 12.567 -1.311 1.00 0.00 C ATOM 1042 O ASN A 67 1.719 12.791 -0.101 1.00 0.00 O ATOM 1043 CB ASN A 67 2.099 14.401 -2.913 1.00 0.00 C ATOM 1044 CG ASN A 67 1.568 15.605 -3.667 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.087 15.481 -4.788 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.635 16.779 -3.065 1.00 0.00 N ATOM 0 H ASN A 67 0.444 15.337 -1.288 1.00 0.00 H new ATOM 0 HA ASN A 67 0.415 13.054 -3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.800 14.740 -2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.659 13.768 -3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.281 17.613 -3.533 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.041 16.851 -2.132 1.00 0.00 H new ATOM 1053 N LEU A 68 2.321 11.530 -1.858 1.00 0.00 N ATOM 1054 CA LEU A 68 3.233 10.678 -1.094 1.00 0.00 C ATOM 1055 C LEU A 68 4.341 11.559 -0.505 1.00 0.00 C ATOM 1056 O LEU A 68 5.012 12.272 -1.256 1.00 0.00 O ATOM 1057 CB LEU A 68 3.828 9.592 -2.008 1.00 0.00 C ATOM 1058 CG LEU A 68 4.759 8.609 -1.267 1.00 0.00 C ATOM 1059 CD1 LEU A 68 3.949 7.470 -0.636 1.00 0.00 C ATOM 1060 CD2 LEU A 68 5.776 8.017 -2.247 1.00 0.00 C ATOM 0 H LEU A 68 2.224 11.260 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 68 2.697 10.180 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.015 9.032 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.385 10.071 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 68 5.278 9.156 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.623 6.788 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.234 7.883 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.414 6.929 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.430 7.324 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.250 7.486 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.373 8.819 -2.681 1.00 0.00 H new ATOM 1072 N HIS A 69 4.517 11.534 0.816 1.00 0.00 N ATOM 1073 CA HIS A 69 5.561 12.258 1.528 1.00 0.00 C ATOM 1074 C HIS A 69 6.859 11.433 1.522 1.00 0.00 C ATOM 1075 O HIS A 69 7.087 10.628 2.425 1.00 0.00 O ATOM 1076 CB HIS A 69 5.074 12.569 2.955 1.00 0.00 C ATOM 1077 CG HIS A 69 6.063 13.390 3.743 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.293 12.937 4.141 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.930 14.680 4.183 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.902 13.917 4.829 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.107 15.002 4.875 1.00 0.00 N ATOM 0 H HIS A 69 3.916 10.991 1.436 1.00 0.00 H new ATOM 0 HA HIS A 69 5.777 13.205 1.034 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.125 13.103 2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.884 11.634 3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.080 15.327 4.027 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.882 13.845 5.278 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.320 15.891 5.328 1.00 0.00 H new ATOM 1089 N HIS A 70 7.747 11.649 0.547 1.00 0.00 N ATOM 1090 CA HIS A 70 8.955 10.842 0.307 1.00 0.00 C ATOM 1091 C HIS A 70 9.840 10.609 1.535 1.00 0.00 C ATOM 1092 O HIS A 70 10.424 9.529 1.649 1.00 0.00 O ATOM 1093 CB HIS A 70 9.794 11.498 -0.797 1.00 0.00 C ATOM 1094 CG HIS A 70 8.972 11.806 -2.013 1.00 0.00 C ATOM 1095 ND1 HIS A 70 8.616 13.058 -2.454 1.00 0.00 N ATOM 1096 CD2 HIS A 70 8.311 10.888 -2.774 1.00 0.00 C ATOM 1097 CE1 HIS A 70 7.766 12.896 -3.480 1.00 0.00 C ATOM 1098 NE2 HIS A 70 7.527 11.589 -3.684 1.00 0.00 N ATOM 0 H HIS A 70 7.645 12.414 -0.120 1.00 0.00 H new ATOM 0 HA HIS A 70 8.591 9.857 0.014 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.239 12.417 -0.417 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.615 10.836 -1.072 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.938 13.947 -2.072 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.383 9.814 -2.686 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.336 13.700 -4.059 1.00 0.00 H new ATOM 1106 N GLY A 71 9.936 11.586 2.445 1.00 0.00 N ATOM 1107 CA GLY A 71 10.662 11.434 3.702 1.00 0.00 C ATOM 1108 C GLY A 71 10.033 10.316 4.527 1.00 0.00 C ATOM 1109 O GLY A 71 10.582 9.223 4.590 1.00 0.00 O ATOM 0 H GLY A 71 9.510 12.505 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.709 11.207 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.639 12.369 4.262 1.00 0.00 H new ATOM 1113 N ASN A 72 8.844 10.558 5.089 1.00 0.00 N ATOM 1114 CA ASN A 72 8.048 9.577 5.830 1.00 0.00 C ATOM 1115 C ASN A 72 7.944 8.220 5.136 1.00 0.00 C ATOM 1116 O ASN A 72 8.107 7.191 5.782 1.00 0.00 O ATOM 1117 CB ASN A 72 6.644 10.111 6.134 1.00 0.00 C ATOM 1118 CG ASN A 72 6.153 9.500 7.438 1.00 0.00 C ATOM 1119 OD1 ASN A 72 5.825 8.322 7.520 1.00 0.00 O ATOM 1120 ND2 ASN A 72 6.171 10.283 8.501 1.00 0.00 N ATOM 0 H ASN A 72 8.396 11.473 5.038 1.00 0.00 H new ATOM 0 HA ASN A 72 8.588 9.418 6.763 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.663 11.198 6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.962 9.861 5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.909 9.910 9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.447 11.261 8.410 1.00 0.00 H new ATOM 1127 N ALA A 73 7.752 8.202 3.814 1.00 0.00 N ATOM 1128 CA ALA A 73 7.735 6.982 3.023 1.00 0.00 C ATOM 1129 C ALA A 73 8.992 6.142 3.292 1.00 0.00 C ATOM 1130 O ALA A 73 8.902 4.937 3.541 1.00 0.00 O ATOM 1131 CB ALA A 73 7.654 7.338 1.533 1.00 0.00 C ATOM 0 H ALA A 73 7.603 9.047 3.263 1.00 0.00 H new ATOM 0 HA ALA A 73 6.862 6.394 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.641 6.423 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.743 7.906 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.520 7.938 1.255 1.00 0.00 H new ATOM 1137 N MET A 74 10.170 6.763 3.212 1.00 0.00 N ATOM 1138 CA MET A 74 11.452 6.145 3.475 1.00 0.00 C ATOM 1139 C MET A 74 11.692 5.926 4.973 1.00 0.00 C ATOM 1140 O MET A 74 12.352 4.947 5.329 1.00 0.00 O ATOM 1141 CB MET A 74 12.547 7.025 2.860 1.00 0.00 C ATOM 1142 CG MET A 74 13.897 6.325 3.003 1.00 0.00 C ATOM 1143 SD MET A 74 15.088 6.701 1.711 1.00 0.00 S ATOM 1144 CE MET A 74 14.460 5.616 0.405 1.00 0.00 C ATOM 0 H MET A 74 10.250 7.746 2.952 1.00 0.00 H new ATOM 0 HA MET A 74 11.470 5.155 3.020 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.331 7.212 1.808 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.573 7.994 3.358 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.330 6.597 3.966 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.731 5.248 3.021 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.214 4.868 0.160 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.554 5.118 0.750 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.234 6.208 -0.482 1.00 0.00 H new ATOM 1154 N GLU A 75 11.153 6.776 5.854 1.00 0.00 N ATOM 1155 CA GLU A 75 11.217 6.546 7.293 1.00 0.00 C ATOM 1156 C GLU A 75 10.563 5.207 7.579 1.00 0.00 C ATOM 1157 O GLU A 75 11.206 4.375 8.207 1.00 0.00 O ATOM 1158 CB GLU A 75 10.470 7.587 8.145 1.00 0.00 C ATOM 1159 CG GLU A 75 10.968 9.027 8.121 1.00 0.00 C ATOM 1160 CD GLU A 75 9.993 9.957 8.863 1.00 0.00 C ATOM 1161 OE1 GLU A 75 9.405 9.563 9.911 1.00 0.00 O ATOM 1162 OE2 GLU A 75 9.793 11.099 8.396 1.00 0.00 O ATOM 0 H GLU A 75 10.666 7.632 5.589 1.00 0.00 H new ATOM 0 HA GLU A 75 12.272 6.599 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.427 7.590 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.488 7.245 9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.953 9.083 8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.081 9.360 7.089 1.00 0.00 H new ATOM 1169 N PHE A 76 9.332 4.998 7.091 1.00 0.00 N ATOM 1170 CA PHE A 76 8.549 3.774 7.196 1.00 0.00 C ATOM 1171 C PHE A 76 9.411 2.593 6.776 1.00 0.00 C ATOM 1172 O PHE A 76 9.431 1.569 7.452 1.00 0.00 O ATOM 1173 CB PHE A 76 7.299 3.863 6.293 1.00 0.00 C ATOM 1174 CG PHE A 76 6.232 2.808 6.526 1.00 0.00 C ATOM 1175 CD1 PHE A 76 6.452 1.459 6.177 1.00 0.00 C ATOM 1176 CD2 PHE A 76 4.985 3.189 7.053 1.00 0.00 C ATOM 1177 CE1 PHE A 76 5.452 0.496 6.413 1.00 0.00 C ATOM 1178 CE2 PHE A 76 3.981 2.222 7.233 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.215 0.876 6.936 1.00 0.00 C ATOM 0 H PHE A 76 8.833 5.728 6.583 1.00 0.00 H new ATOM 0 HA PHE A 76 8.223 3.640 8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.846 4.845 6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.621 3.802 5.254 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.389 1.164 5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.800 4.219 7.318 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.643 -0.543 6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.014 2.523 7.607 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.446 0.138 7.110 1.00 0.00 H new ATOM 1189 N ALA A 77 10.114 2.727 5.660 1.00 0.00 N ATOM 1190 CA ALA A 77 10.959 1.681 5.140 1.00 0.00 C ATOM 1191 C ALA A 77 12.050 1.323 6.152 1.00 0.00 C ATOM 1192 O ALA A 77 12.055 0.216 6.695 1.00 0.00 O ATOM 1193 CB ALA A 77 11.519 2.148 3.804 1.00 0.00 C ATOM 0 H ALA A 77 10.108 3.574 5.092 1.00 0.00 H new ATOM 0 HA ALA A 77 10.392 0.765 4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.163 1.373 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.698 2.346 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.097 3.060 3.951 1.00 0.00 H new ATOM 1199 N LYS A 78 12.957 2.264 6.436 1.00 0.00 N ATOM 1200 CA LYS A 78 14.099 2.061 7.315 1.00 0.00 C ATOM 1201 C LYS A 78 13.617 1.589 8.687 1.00 0.00 C ATOM 1202 O LYS A 78 14.220 0.694 9.280 1.00 0.00 O ATOM 1203 CB LYS A 78 14.893 3.382 7.376 1.00 0.00 C ATOM 1204 CG LYS A 78 16.045 3.451 6.356 1.00 0.00 C ATOM 1205 CD LYS A 78 15.679 3.645 4.870 1.00 0.00 C ATOM 1206 CE LYS A 78 16.869 4.166 4.052 1.00 0.00 C ATOM 1207 NZ LYS A 78 17.078 5.629 4.120 1.00 0.00 N ATOM 0 H LYS A 78 12.911 3.207 6.049 1.00 0.00 H new ATOM 0 HA LYS A 78 14.762 1.282 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.212 4.215 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.298 3.508 8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.703 4.269 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.623 2.531 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.339 2.697 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.848 4.346 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.775 3.668 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.727 3.882 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.005 5.866 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.330 6.112 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.045 5.939 5.112 1.00 0.00 H new ATOM 1221 N LYS A 79 12.495 2.138 9.152 1.00 0.00 N ATOM 1222 CA LYS A 79 11.803 1.802 10.383 1.00 0.00 C ATOM 1223 C LYS A 79 11.502 0.316 10.473 1.00 0.00 C ATOM 1224 O LYS A 79 11.900 -0.313 11.454 1.00 0.00 O ATOM 1225 CB LYS A 79 10.536 2.669 10.493 1.00 0.00 C ATOM 1226 CG LYS A 79 9.536 2.165 11.529 1.00 0.00 C ATOM 1227 CD LYS A 79 8.464 3.171 11.952 1.00 0.00 C ATOM 1228 CE LYS A 79 7.387 2.330 12.645 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.456 3.108 13.484 1.00 0.00 N ATOM 0 H LYS A 79 12.018 2.879 8.639 1.00 0.00 H new ATOM 0 HA LYS A 79 12.449 2.020 11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.825 3.689 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.048 2.709 9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.041 1.279 11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.086 1.851 12.416 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.872 3.924 12.626 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.058 3.701 11.091 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.815 1.797 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.874 1.577 13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.760 2.467 13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.988 3.597 14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.962 3.809 12.896 1.00 0.00 H new ATOM 1243 N HIS A 80 10.773 -0.233 9.499 1.00 0.00 N ATOM 1244 CA HIS A 80 10.278 -1.604 9.592 1.00 0.00 C ATOM 1245 C HIS A 80 11.393 -2.639 9.372 1.00 0.00 C ATOM 1246 O HIS A 80 11.117 -3.838 9.474 1.00 0.00 O ATOM 1247 CB HIS A 80 9.096 -1.817 8.642 1.00 0.00 C ATOM 1248 CG HIS A 80 7.883 -1.082 9.148 1.00 0.00 C ATOM 1249 ND1 HIS A 80 7.560 0.207 8.838 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.061 -1.469 10.170 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.582 0.606 9.651 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.242 -0.378 10.490 1.00 0.00 N ATOM 0 H HIS A 80 10.514 0.251 8.639 1.00 0.00 H new ATOM 0 HA HIS A 80 9.918 -1.759 10.609 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.354 -1.464 7.644 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.876 -2.881 8.556 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.994 0.771 8.107 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.046 -2.439 10.644 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.128 1.586 9.634 1.00 0.00 H new ATOM 1260 N GLY A 81 12.614 -2.182 9.060 1.00 0.00 N ATOM 1261 CA GLY A 81 13.828 -2.969 8.889 1.00 0.00 C ATOM 1262 C GLY A 81 14.426 -2.859 7.484 1.00 0.00 C ATOM 1263 O GLY A 81 15.363 -3.592 7.174 1.00 0.00 O ATOM 0 H GLY A 81 12.783 -1.187 8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.570 -2.644 9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.608 -4.015 9.102 1.00 0.00 H new ATOM 1267 N ALA A 82 13.877 -2.019 6.595 1.00 0.00 N ATOM 1268 CA ALA A 82 14.244 -2.073 5.185 1.00 0.00 C ATOM 1269 C ALA A 82 15.605 -1.457 4.927 1.00 0.00 C ATOM 1270 O ALA A 82 16.091 -0.603 5.671 1.00 0.00 O ATOM 1271 CB ALA A 82 13.197 -1.402 4.301 1.00 0.00 C ATOM 0 H ALA A 82 13.187 -1.305 6.829 1.00 0.00 H new ATOM 0 HA ALA A 82 14.292 -3.130 4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.508 -1.464 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.239 -1.907 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.095 -0.355 4.588 1.00 0.00 H new ATOM 1277 N ASP A 83 16.181 -1.903 3.822 1.00 0.00 N ATOM 1278 CA ASP A 83 17.510 -1.543 3.371 1.00 0.00 C ATOM 1279 C ASP A 83 17.405 -0.241 2.567 1.00 0.00 C ATOM 1280 O ASP A 83 16.323 0.145 2.123 1.00 0.00 O ATOM 1281 CB ASP A 83 18.112 -2.696 2.544 1.00 0.00 C ATOM 1282 CG ASP A 83 17.647 -4.095 2.963 1.00 0.00 C ATOM 1283 OD1 ASP A 83 17.989 -4.571 4.072 1.00 0.00 O ATOM 1284 OD2 ASP A 83 16.849 -4.694 2.212 1.00 0.00 O ATOM 0 H ASP A 83 15.713 -2.553 3.190 1.00 0.00 H new ATOM 0 HA ASP A 83 18.180 -1.377 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.859 -2.543 1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.198 -2.651 2.620 1.00 0.00 H new ATOM 1289 N GLU A 84 18.523 0.447 2.370 1.00 0.00 N ATOM 1290 CA GLU A 84 18.632 1.744 1.716 1.00 0.00 C ATOM 1291 C GLU A 84 18.152 1.675 0.257 1.00 0.00 C ATOM 1292 O GLU A 84 17.189 2.352 -0.104 1.00 0.00 O ATOM 1293 CB GLU A 84 20.087 2.241 1.867 1.00 0.00 C ATOM 1294 CG GLU A 84 20.219 3.679 2.389 1.00 0.00 C ATOM 1295 CD GLU A 84 19.595 4.735 1.480 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.014 4.874 0.304 1.00 0.00 O ATOM 1297 OE2 GLU A 84 18.695 5.451 1.970 1.00 0.00 O ATOM 0 H GLU A 84 19.428 0.094 2.680 1.00 0.00 H new ATOM 0 HA GLU A 84 17.975 2.471 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.617 1.572 2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.583 2.173 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.753 3.741 3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.276 3.909 2.522 1.00 0.00 H new ATOM 1304 N THR A 85 18.771 0.831 -0.578 1.00 0.00 N ATOM 1305 CA THR A 85 18.408 0.711 -1.991 1.00 0.00 C ATOM 1306 C THR A 85 17.031 0.057 -2.137 1.00 0.00 C ATOM 1307 O THR A 85 16.297 0.398 -3.063 1.00 0.00 O ATOM 1308 CB THR A 85 19.482 -0.104 -2.726 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.765 0.443 -2.475 1.00 0.00 O ATOM 1310 CG2 THR A 85 19.278 -0.139 -4.239 1.00 0.00 C ATOM 0 H THR A 85 19.533 0.216 -0.293 1.00 0.00 H new ATOM 0 HA THR A 85 18.353 1.705 -2.435 1.00 0.00 H new ATOM 0 HB THR A 85 19.400 -1.122 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.443 -0.084 -2.946 1.00 0.00 H new ATOM 0 HG21 THR A 85 20.070 -0.730 -4.699 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.311 -0.588 -4.465 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.308 0.877 -4.634 1.00 0.00 H new ATOM 1318 N MET A 86 16.649 -0.835 -1.212 1.00 0.00 N ATOM 1319 CA MET A 86 15.297 -1.362 -1.137 1.00 0.00 C ATOM 1320 C MET A 86 14.353 -0.174 -1.022 1.00 0.00 C ATOM 1321 O MET A 86 13.495 0.018 -1.870 1.00 0.00 O ATOM 1322 CB MET A 86 15.189 -2.347 0.044 1.00 0.00 C ATOM 1323 CG MET A 86 13.768 -2.527 0.580 1.00 0.00 C ATOM 1324 SD MET A 86 13.559 -3.935 1.710 1.00 0.00 S ATOM 1325 CE MET A 86 11.756 -4.004 1.842 1.00 0.00 C ATOM 0 H MET A 86 17.276 -1.206 -0.498 1.00 0.00 H new ATOM 0 HA MET A 86 15.027 -1.930 -2.027 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.573 -3.318 -0.270 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.830 -1.998 0.854 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.471 -1.615 1.098 1.00 0.00 H new ATOM 0 HG3 MET A 86 13.089 -2.651 -0.263 1.00 0.00 H new ATOM 0 HE1 MET A 86 11.472 -4.116 2.888 1.00 0.00 H new ATOM 0 HE2 MET A 86 11.327 -3.084 1.445 1.00 0.00 H new ATOM 0 HE3 MET A 86 11.382 -4.854 1.272 1.00 0.00 H new ATOM 1335 N ALA A 87 14.500 0.643 0.010 1.00 0.00 N ATOM 1336 CA ALA A 87 13.583 1.731 0.269 1.00 0.00 C ATOM 1337 C ALA A 87 13.546 2.761 -0.853 1.00 0.00 C ATOM 1338 O ALA A 87 12.465 3.296 -1.107 1.00 0.00 O ATOM 1339 CB ALA A 87 13.904 2.280 1.637 1.00 0.00 C ATOM 0 H ALA A 87 15.259 0.567 0.688 1.00 0.00 H new ATOM 0 HA ALA A 87 12.554 1.371 0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.229 3.105 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.782 1.494 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.933 2.638 1.653 1.00 0.00 H new ATOM 1345 N GLN A 88 14.664 3.007 -1.541 1.00 0.00 N ATOM 1346 CA GLN A 88 14.640 3.838 -2.731 1.00 0.00 C ATOM 1347 C GLN A 88 13.768 3.186 -3.802 1.00 0.00 C ATOM 1348 O GLN A 88 12.923 3.877 -4.362 1.00 0.00 O ATOM 1349 CB GLN A 88 16.061 4.112 -3.238 1.00 0.00 C ATOM 1350 CG GLN A 88 16.048 5.173 -4.349 1.00 0.00 C ATOM 1351 CD GLN A 88 15.573 6.537 -3.850 1.00 0.00 C ATOM 1352 OE1 GLN A 88 16.203 7.144 -2.985 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.472 7.046 -4.368 1.00 0.00 N ATOM 0 H GLN A 88 15.584 2.644 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 88 14.202 4.804 -2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.688 4.451 -2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.502 3.189 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.051 5.271 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.398 4.839 -5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.960 6.531 -5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.132 7.954 -4.052 1.00 0.00 H new ATOM 1362 N GLN A 89 13.940 1.883 -4.056 1.00 0.00 N ATOM 1363 CA GLN A 89 13.100 1.113 -4.961 1.00 0.00 C ATOM 1364 C GLN A 89 11.624 1.341 -4.639 1.00 0.00 C ATOM 1365 O GLN A 89 10.920 1.840 -5.512 1.00 0.00 O ATOM 1366 CB GLN A 89 13.484 -0.382 -4.959 1.00 0.00 C ATOM 1367 CG GLN A 89 14.278 -0.770 -6.208 1.00 0.00 C ATOM 1368 CD GLN A 89 14.492 -2.265 -6.323 1.00 0.00 C ATOM 1369 OE1 GLN A 89 14.259 -2.888 -7.350 1.00 0.00 O ATOM 1370 NE2 GLN A 89 15.025 -2.892 -5.295 1.00 0.00 N ATOM 0 H GLN A 89 14.682 1.331 -3.627 1.00 0.00 H new ATOM 0 HA GLN A 89 13.271 1.467 -5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.075 -0.604 -4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.580 -0.989 -4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.752 -0.413 -7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.246 -0.269 -6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.223 -2.383 -4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.239 -3.887 -5.360 1.00 0.00 H new ATOM 1379 N LEU A 90 11.143 1.020 -3.426 1.00 0.00 N ATOM 1380 CA LEU A 90 9.746 1.192 -3.058 1.00 0.00 C ATOM 1381 C LEU A 90 9.221 2.582 -3.359 1.00 0.00 C ATOM 1382 O LEU A 90 8.126 2.666 -3.912 1.00 0.00 O ATOM 1383 CB LEU A 90 9.558 0.867 -1.577 1.00 0.00 C ATOM 1384 CG LEU A 90 9.629 -0.610 -1.174 1.00 0.00 C ATOM 1385 CD1 LEU A 90 8.848 -1.570 -2.060 1.00 0.00 C ATOM 1386 CD2 LEU A 90 11.023 -1.117 -0.926 1.00 0.00 C ATOM 0 H LEU A 90 11.721 0.634 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 90 9.166 0.500 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.317 1.409 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.589 1.257 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 90 9.111 -0.604 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.966 -2.587 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.792 -1.299 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.226 -1.512 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.983 -2.170 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.618 -1.005 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.480 -0.544 -0.119 1.00 0.00 H new ATOM 1398 N ILE A 91 9.934 3.653 -3.000 1.00 0.00 N ATOM 1399 CA ILE A 91 9.419 4.976 -3.320 1.00 0.00 C ATOM 1400 C ILE A 91 9.448 5.187 -4.823 1.00 0.00 C ATOM 1401 O ILE A 91 8.497 5.759 -5.335 1.00 0.00 O ATOM 1402 CB ILE A 91 10.088 6.110 -2.510 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.434 6.148 -1.117 1.00 0.00 C ATOM 1404 CG2 ILE A 91 9.848 7.492 -3.159 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.037 5.157 -0.121 1.00 0.00 C ATOM 0 H ILE A 91 10.828 3.631 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 91 8.378 5.023 -3.002 1.00 0.00 H new ATOM 0 HB ILE A 91 11.159 5.914 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.525 7.156 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.369 5.941 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.333 8.264 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.264 7.498 -4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.777 7.690 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.523 5.245 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.923 4.142 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.096 5.376 0.015 1.00 0.00 H new ATOM 1417 N ASP A 92 10.469 4.738 -5.544 1.00 0.00 N ATOM 1418 CA ASP A 92 10.519 4.929 -6.986 1.00 0.00 C ATOM 1419 C ASP A 92 9.322 4.255 -7.663 1.00 0.00 C ATOM 1420 O ASP A 92 8.671 4.879 -8.501 1.00 0.00 O ATOM 1421 CB ASP A 92 11.857 4.422 -7.541 1.00 0.00 C ATOM 1422 CG ASP A 92 12.248 5.088 -8.860 1.00 0.00 C ATOM 1423 OD1 ASP A 92 11.367 5.520 -9.645 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.465 5.201 -9.102 1.00 0.00 O ATOM 0 H ASP A 92 11.270 4.241 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 92 10.453 5.994 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.640 4.600 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.797 3.344 -7.689 1.00 0.00 H new ATOM 1429 N ILE A 93 8.967 3.023 -7.264 1.00 0.00 N ATOM 1430 CA ILE A 93 7.850 2.322 -7.870 1.00 0.00 C ATOM 1431 C ILE A 93 6.539 2.984 -7.454 1.00 0.00 C ATOM 1432 O ILE A 93 5.682 3.198 -8.314 1.00 0.00 O ATOM 1433 CB ILE A 93 7.832 0.823 -7.504 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.193 0.102 -7.692 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.720 0.193 -8.374 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.556 -0.792 -6.493 1.00 0.00 C ATOM 0 H ILE A 93 9.442 2.503 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 93 7.968 2.386 -8.952 1.00 0.00 H new ATOM 0 HB ILE A 93 7.636 0.708 -6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.157 -0.505 -8.596 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.977 0.845 -7.838 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.654 -0.874 -8.163 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.766 0.668 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.955 0.341 -9.428 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.517 -1.273 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.621 -0.183 -5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.788 -1.554 -6.362 1.00 0.00 H new ATOM 1448 N VAL A 94 6.357 3.264 -6.158 1.00 0.00 N ATOM 1449 CA VAL A 94 5.138 3.869 -5.644 1.00 0.00 C ATOM 1450 C VAL A 94 4.948 5.220 -6.322 1.00 0.00 C ATOM 1451 O VAL A 94 3.955 5.408 -7.025 1.00 0.00 O ATOM 1452 CB VAL A 94 5.157 3.952 -4.097 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.006 4.841 -3.602 1.00 0.00 C ATOM 1454 CG2 VAL A 94 4.928 2.558 -3.500 1.00 0.00 C ATOM 0 H VAL A 94 7.057 3.074 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 94 4.276 3.246 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 94 6.122 4.359 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.028 4.893 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.117 5.844 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.055 4.418 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.942 2.621 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.962 2.176 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.717 1.885 -3.835 1.00 0.00 H new ATOM 1464 N HIS A 95 5.904 6.133 -6.140 1.00 0.00 N ATOM 1465 CA HIS A 95 5.851 7.490 -6.654 1.00 0.00 C ATOM 1466 C HIS A 95 5.659 7.450 -8.186 1.00 0.00 C ATOM 1467 O HIS A 95 5.014 8.319 -8.776 1.00 0.00 O ATOM 1468 CB HIS A 95 7.155 8.229 -6.319 1.00 0.00 C ATOM 1469 CG HIS A 95 7.138 9.718 -6.558 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.256 10.523 -6.576 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.043 10.526 -6.729 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.848 11.794 -6.726 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.513 11.833 -6.871 1.00 0.00 N ATOM 0 H HIS A 95 6.757 5.937 -5.616 1.00 0.00 H new ATOM 0 HA HIS A 95 5.015 8.016 -6.193 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.395 8.050 -5.271 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.961 7.793 -6.909 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.010 10.210 -6.750 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.497 12.657 -6.730 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.948 12.663 -7.051 1.00 0.00 H new ATOM 1481 N GLY A 96 6.238 6.434 -8.837 1.00 0.00 N ATOM 1482 CA GLY A 96 6.108 6.133 -10.247 1.00 0.00 C ATOM 1483 C GLY A 96 4.661 5.834 -10.620 1.00 0.00 C ATOM 1484 O GLY A 96 4.050 6.634 -11.327 1.00 0.00 O ATOM 0 H GLY A 96 6.842 5.768 -8.356 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.470 6.976 -10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.734 5.277 -10.497 1.00 0.00 H new ATOM 1488 N CYS A 97 4.101 4.716 -10.137 1.00 0.00 N ATOM 1489 CA CYS A 97 2.701 4.310 -10.305 1.00 0.00 C ATOM 1490 C CYS A 97 1.767 5.466 -9.957 1.00 0.00 C ATOM 1491 O CYS A 97 0.807 5.637 -10.693 1.00 0.00 O ATOM 1492 CB CYS A 97 2.423 3.057 -9.460 1.00 0.00 C ATOM 1493 SG CYS A 97 2.921 1.455 -10.178 1.00 0.00 S ATOM 0 H CYS A 97 4.638 4.040 -9.594 1.00 0.00 H new ATOM 0 HA CYS A 97 2.513 4.055 -11.348 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.931 3.173 -8.503 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.354 3.018 -9.251 1.00 0.00 H new ATOM 1498 N GLU A 98 2.047 6.320 -8.969 1.00 0.00 N ATOM 1499 CA GLU A 98 1.197 7.474 -8.648 1.00 0.00 C ATOM 1500 C GLU A 98 0.976 8.429 -9.848 1.00 0.00 C ATOM 1501 O GLU A 98 0.058 9.246 -9.798 1.00 0.00 O ATOM 1502 CB GLU A 98 1.730 8.223 -7.405 1.00 0.00 C ATOM 1503 CG GLU A 98 1.731 7.374 -6.113 1.00 0.00 C ATOM 1504 CD GLU A 98 0.953 7.898 -4.914 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.095 9.097 -4.594 1.00 0.00 O ATOM 1506 OE2 GLU A 98 0.274 7.083 -4.241 1.00 0.00 O ATOM 0 H GLU A 98 2.867 6.233 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 98 0.211 7.076 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.746 8.562 -7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.123 9.114 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.338 6.388 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.767 7.236 -5.805 1.00 0.00 H new ATOM 1513 N LYS A 99 1.734 8.317 -10.952 1.00 0.00 N ATOM 1514 CA LYS A 99 1.437 8.961 -12.242 1.00 0.00 C ATOM 1515 C LYS A 99 1.309 7.935 -13.371 1.00 0.00 C ATOM 1516 O LYS A 99 0.395 8.039 -14.192 1.00 0.00 O ATOM 1517 CB LYS A 99 2.502 10.008 -12.613 1.00 0.00 C ATOM 1518 CG LYS A 99 2.461 11.279 -11.746 1.00 0.00 C ATOM 1519 CD LYS A 99 3.193 11.253 -10.395 1.00 0.00 C ATOM 1520 CE LYS A 99 4.716 11.375 -10.508 1.00 0.00 C ATOM 1521 NZ LYS A 99 5.388 10.118 -10.898 1.00 0.00 N ATOM 0 H LYS A 99 2.590 7.763 -10.972 1.00 0.00 H new ATOM 0 HA LYS A 99 0.479 9.466 -12.121 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.489 9.553 -12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.371 10.289 -13.658 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.874 12.098 -12.334 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.415 11.520 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.819 12.068 -9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.951 10.323 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.956 12.146 -11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.116 11.708 -9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.396 10.172 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.949 9.320 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.292 9.977 -11.924 1.00 0.00 H new ATOM 1535 N SER A 100 2.201 6.947 -13.422 1.00 0.00 N ATOM 1536 CA SER A 100 2.207 5.879 -14.411 1.00 0.00 C ATOM 1537 C SER A 100 0.867 5.159 -14.492 1.00 0.00 C ATOM 1538 O SER A 100 0.427 4.833 -15.591 1.00 0.00 O ATOM 1539 CB SER A 100 3.336 4.912 -14.074 1.00 0.00 C ATOM 1540 OG SER A 100 4.533 5.346 -14.690 1.00 0.00 O ATOM 0 H SER A 100 2.965 6.869 -12.751 1.00 0.00 H new ATOM 0 HA SER A 100 2.373 6.313 -15.397 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.471 4.857 -12.994 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.083 3.908 -14.415 1.00 0.00 H new ATOM 0 HG SER A 100 5.258 4.724 -14.471 1.00 0.00 H new ATOM 1546 N THR A 101 0.194 4.941 -13.368 1.00 0.00 N ATOM 1547 CA THR A 101 -1.140 4.380 -13.340 1.00 0.00 C ATOM 1548 C THR A 101 -2.156 5.450 -13.778 1.00 0.00 C ATOM 1549 O THR A 101 -2.260 6.499 -13.131 1.00 0.00 O ATOM 1550 CB THR A 101 -1.391 3.876 -11.923 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.544 2.780 -11.680 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.813 3.407 -11.686 1.00 0.00 C ATOM 0 H THR A 101 0.569 5.153 -12.443 1.00 0.00 H new ATOM 0 HA THR A 101 -1.247 3.546 -14.033 1.00 0.00 H new ATOM 0 HB THR A 101 -1.201 4.718 -11.257 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.286 3.094 -11.263 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.916 3.063 -10.657 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.503 4.232 -11.864 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.044 2.588 -12.367 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.917 5.202 -14.857 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.038 6.037 -15.240 1.00 0.00 C ATOM 1562 C PRO A 102 -5.249 5.652 -14.400 1.00 0.00 C ATOM 1563 O PRO A 102 -5.468 4.468 -14.114 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.248 5.732 -16.726 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.860 4.259 -16.847 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.843 4.039 -15.730 1.00 0.00 C ATOM 0 HA PRO A 102 -3.874 7.103 -15.080 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.282 5.901 -17.028 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.624 6.364 -17.357 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.727 3.609 -16.728 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.430 4.041 -17.824 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.067 3.126 -15.178 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.839 3.926 -16.139 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.083 6.630 -14.067 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.393 6.409 -13.489 1.00 0.00 C ATOM 1576 C ALA A 103 -8.300 7.584 -13.843 1.00 0.00 C ATOM 1577 O ALA A 103 -7.816 8.659 -14.206 1.00 0.00 O ATOM 1578 CB ALA A 103 -7.251 6.274 -11.972 1.00 0.00 C ATOM 0 H ALA A 103 -5.858 7.617 -14.196 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.834 5.494 -13.885 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.232 6.107 -11.528 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.600 5.431 -11.741 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.819 7.188 -11.564 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.609 7.396 -13.672 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.517 8.500 -13.361 1.00 0.00 C ATOM 1586 C ASN A 104 -10.132 9.160 -12.042 1.00 0.00 C ATOM 1587 O ASN A 104 -9.407 8.574 -11.239 1.00 0.00 O ATOM 1588 CB ASN A 104 -12.001 8.097 -13.290 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.283 6.669 -12.941 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -13.126 6.031 -13.565 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -11.606 6.153 -11.937 1.00 0.00 N ATOM 0 H ASN A 104 -10.065 6.486 -13.744 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.409 9.195 -14.194 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.494 8.733 -12.555 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.460 8.311 -14.255 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.773 5.188 -11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -10.914 6.718 -11.445 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.766 10.304 -11.776 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.668 11.108 -10.557 1.00 0.00 C ATOM 1600 C ASP A 105 -11.043 10.333 -9.285 1.00 0.00 C ATOM 1601 O ASP A 105 -10.853 10.833 -8.180 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.566 12.338 -10.709 1.00 0.00 C ATOM 1603 CG ASP A 105 -10.990 13.617 -10.101 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -10.677 13.683 -8.900 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -10.841 14.607 -10.857 1.00 0.00 O ATOM 0 H ASP A 105 -11.405 10.721 -12.453 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.625 11.399 -10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.755 12.507 -11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.529 12.130 -10.243 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.589 9.114 -9.406 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.853 8.252 -8.252 1.00 0.00 C ATOM 1612 C ASP A 106 -10.508 7.924 -7.581 1.00 0.00 C ATOM 1613 O ASP A 106 -9.805 6.992 -7.985 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.622 6.974 -8.659 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.909 6.723 -7.881 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -14.953 7.316 -8.253 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.944 5.835 -7.005 1.00 0.00 O ATOM 0 H ASP A 106 -11.857 8.703 -10.300 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.496 8.773 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.862 7.035 -9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.964 6.115 -8.530 1.00 0.00 H new ATOM 1622 N LYS A 107 -10.119 8.684 -6.553 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.879 8.465 -5.795 1.00 0.00 C ATOM 1624 C LYS A 107 -8.813 7.043 -5.259 1.00 0.00 C ATOM 1625 O LYS A 107 -7.717 6.497 -5.135 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.758 9.440 -4.630 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.360 10.838 -5.096 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.865 10.988 -5.391 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.524 10.832 -6.879 1.00 0.00 C ATOM 1630 NZ LYS A 107 -5.948 12.056 -7.472 1.00 0.00 N ATOM 0 H LYS A 107 -10.662 9.480 -6.218 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.052 8.633 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.709 9.491 -4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.017 9.069 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.925 11.086 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.644 11.561 -4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.530 11.967 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.312 10.244 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.818 10.010 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.427 10.560 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.739 11.889 -8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.629 12.837 -7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.070 12.304 -6.972 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.966 6.431 -4.975 1.00 0.00 N ATOM 1645 CA CYS A 108 -10.029 5.042 -4.575 1.00 0.00 C ATOM 1646 C CYS A 108 -9.484 4.160 -5.696 1.00 0.00 C ATOM 1647 O CYS A 108 -8.537 3.415 -5.470 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.458 4.627 -4.221 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.393 5.633 -3.052 1.00 0.00 S ATOM 0 H CYS A 108 -10.875 6.892 -5.019 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.417 4.915 -3.682 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -12.028 4.584 -5.149 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.418 3.612 -3.824 1.00 0.00 H new ATOM 1654 N ILE A 109 -10.063 4.255 -6.900 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.676 3.478 -8.081 1.00 0.00 C ATOM 1656 C ILE A 109 -8.191 3.681 -8.349 1.00 0.00 C ATOM 1657 O ILE A 109 -7.460 2.712 -8.532 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.515 3.902 -9.297 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.979 3.472 -9.091 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.968 3.410 -10.650 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.289 2.006 -9.389 1.00 0.00 C ATOM 0 H ILE A 109 -10.837 4.894 -7.083 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.862 2.420 -7.899 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.453 4.989 -9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.257 3.680 -8.058 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.613 4.094 -9.723 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.620 3.754 -11.453 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.964 3.807 -10.803 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.932 2.321 -10.653 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.347 1.814 -9.211 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.051 1.788 -10.430 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.690 1.368 -8.739 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.768 4.943 -8.387 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.410 5.366 -8.589 1.00 0.00 C ATOM 1675 C TRP A 110 -5.464 4.656 -7.623 1.00 0.00 C ATOM 1676 O TRP A 110 -4.602 3.903 -8.074 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.393 6.886 -8.438 1.00 0.00 C ATOM 1678 CG TRP A 110 -5.037 7.463 -8.533 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -4.247 7.396 -9.623 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.234 8.020 -7.461 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -3.025 7.964 -9.330 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.937 8.272 -7.987 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.465 8.285 -6.093 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.894 8.717 -7.176 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.392 8.671 -5.263 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.100 8.854 -5.800 1.00 0.00 C ATOM 0 H TRP A 110 -8.408 5.729 -8.270 1.00 0.00 H new ATOM 0 HA TRP A 110 -6.051 5.097 -9.583 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -7.024 7.329 -9.208 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.829 7.154 -7.476 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.526 6.966 -10.574 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.286 8.134 -10.013 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.460 8.192 -5.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.933 8.954 -7.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.561 8.828 -4.208 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.273 9.099 -5.150 1.00 0.00 H new ATOM 1697 N THR A 111 -5.639 4.841 -6.315 1.00 0.00 N ATOM 1698 CA THR A 111 -4.737 4.299 -5.305 1.00 0.00 C ATOM 1699 C THR A 111 -4.718 2.756 -5.333 1.00 0.00 C ATOM 1700 O THR A 111 -3.658 2.154 -5.130 1.00 0.00 O ATOM 1701 CB THR A 111 -5.135 4.852 -3.925 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.324 6.247 -3.937 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.061 4.553 -2.881 1.00 0.00 C ATOM 0 H THR A 111 -6.416 5.375 -5.926 1.00 0.00 H new ATOM 0 HA THR A 111 -3.717 4.616 -5.524 1.00 0.00 H new ATOM 0 HB THR A 111 -6.073 4.358 -3.674 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.221 6.453 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.369 4.955 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.925 3.475 -2.798 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.121 5.015 -3.183 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.858 2.118 -5.636 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.974 0.686 -5.923 1.00 0.00 C ATOM 1713 C LEU A 112 -5.064 0.329 -7.108 1.00 0.00 C ATOM 1714 O LEU A 112 -4.251 -0.591 -7.016 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.471 0.331 -6.146 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.790 -0.741 -7.182 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.297 -2.111 -6.740 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.294 -0.843 -7.465 1.00 0.00 C ATOM 0 H LEU A 112 -6.753 2.604 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.633 0.082 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.887 0.011 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.995 1.243 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.272 -0.436 -8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.542 -2.850 -7.503 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.217 -2.081 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.779 -2.386 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.472 -1.619 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.821 -1.094 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.659 0.112 -7.843 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.176 1.049 -8.223 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.398 0.793 -9.423 1.00 0.00 C ATOM 1732 C GLY A 113 -2.902 0.925 -9.151 1.00 0.00 C ATOM 1733 O GLY A 113 -2.129 0.097 -9.638 1.00 0.00 O ATOM 0 H GLY A 113 -5.819 1.835 -8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.616 -0.209 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.691 1.493 -10.205 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.505 1.938 -8.373 1.00 0.00 N ATOM 1738 CA VAL A 114 -1.131 2.132 -7.920 1.00 0.00 C ATOM 1739 C VAL A 114 -0.680 0.882 -7.160 1.00 0.00 C ATOM 1740 O VAL A 114 0.350 0.300 -7.496 1.00 0.00 O ATOM 1741 CB VAL A 114 -1.023 3.427 -7.076 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.348 3.629 -6.413 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.314 4.678 -7.920 1.00 0.00 C ATOM 0 H VAL A 114 -3.145 2.657 -8.036 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.461 2.264 -8.769 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.771 3.297 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.342 4.557 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.556 2.793 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.120 3.681 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.229 5.567 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.596 4.740 -8.738 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.323 4.616 -8.327 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.461 0.424 -6.177 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.115 -0.762 -5.406 1.00 0.00 C ATOM 1755 C ALA A 115 -1.040 -2.003 -6.295 1.00 0.00 C ATOM 1756 O ALA A 115 -0.229 -2.876 -6.021 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.108 -0.973 -4.265 1.00 0.00 C ATOM 0 H ALA A 115 -2.339 0.862 -5.900 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.126 -0.602 -4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.831 -1.864 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.092 -0.106 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.111 -1.099 -4.674 1.00 0.00 H new ATOM 1763 N THR A 116 -1.825 -2.090 -7.367 1.00 0.00 N ATOM 1764 CA THR A 116 -1.863 -3.248 -8.247 1.00 0.00 C ATOM 1765 C THR A 116 -0.553 -3.389 -9.047 1.00 0.00 C ATOM 1766 O THR A 116 0.013 -4.489 -9.087 1.00 0.00 O ATOM 1767 CB THR A 116 -3.111 -3.143 -9.140 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.279 -2.963 -8.362 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.339 -4.421 -9.940 1.00 0.00 C ATOM 0 H THR A 116 -2.461 -1.344 -7.650 1.00 0.00 H new ATOM 0 HA THR A 116 -1.940 -4.164 -7.661 1.00 0.00 H new ATOM 0 HB THR A 116 -2.933 -2.294 -9.800 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.261 -2.077 -7.944 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.229 -4.309 -10.559 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.475 -4.610 -10.578 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.476 -5.259 -9.256 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.059 -2.311 -9.678 1.00 0.00 N ATOM 1778 CA CYS A 117 1.205 -2.353 -10.425 1.00 0.00 C ATOM 1779 C CYS A 117 2.381 -2.562 -9.475 1.00 0.00 C ATOM 1780 O CYS A 117 3.273 -3.364 -9.764 1.00 0.00 O ATOM 1781 CB CYS A 117 1.409 -1.089 -11.279 1.00 0.00 C ATOM 1782 SG CYS A 117 1.127 0.507 -10.465 1.00 0.00 S ATOM 0 H CYS A 117 -0.518 -1.400 -9.684 1.00 0.00 H new ATOM 0 HA CYS A 117 1.154 -3.200 -11.109 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.430 -1.099 -11.661 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.745 -1.152 -12.141 1.00 0.00 H new ATOM 1787 N PHE A 118 2.351 -1.860 -8.342 1.00 0.00 N ATOM 1788 CA PHE A 118 3.327 -1.967 -7.276 1.00 0.00 C ATOM 1789 C PHE A 118 3.395 -3.398 -6.747 1.00 0.00 C ATOM 1790 O PHE A 118 4.460 -3.996 -6.810 1.00 0.00 O ATOM 1791 CB PHE A 118 2.975 -0.936 -6.206 1.00 0.00 C ATOM 1792 CG PHE A 118 3.759 -1.065 -4.929 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.078 -0.591 -4.878 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.172 -1.656 -3.796 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.817 -0.694 -3.694 1.00 0.00 C ATOM 1796 CE2 PHE A 118 3.915 -1.776 -2.614 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.232 -1.294 -2.558 1.00 0.00 C ATOM 0 H PHE A 118 1.618 -1.180 -8.142 1.00 0.00 H new ATOM 0 HA PHE A 118 4.331 -1.747 -7.640 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.134 0.062 -6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 118 1.913 -1.020 -5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.525 -0.145 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.154 -2.015 -3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.828 -0.317 -3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.473 -2.240 -1.745 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.799 -1.382 -1.643 1.00 0.00 H new ATOM 1807 N LYS A 119 2.276 -3.990 -6.308 1.00 0.00 N ATOM 1808 CA LYS A 119 2.167 -5.383 -5.857 1.00 0.00 C ATOM 1809 C LYS A 119 2.934 -6.287 -6.804 1.00 0.00 C ATOM 1810 O LYS A 119 3.860 -6.963 -6.374 1.00 0.00 O ATOM 1811 CB LYS A 119 0.682 -5.790 -5.744 1.00 0.00 C ATOM 1812 CG LYS A 119 0.428 -7.307 -5.654 1.00 0.00 C ATOM 1813 CD LYS A 119 -1.075 -7.610 -5.561 1.00 0.00 C ATOM 1814 CE LYS A 119 -1.439 -8.989 -6.132 1.00 0.00 C ATOM 1815 NZ LYS A 119 -0.804 -10.095 -5.389 1.00 0.00 N ATOM 0 H LYS A 119 1.388 -3.492 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 119 2.608 -5.486 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.256 -5.312 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.146 -5.398 -6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 119 0.849 -7.802 -6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 119 0.939 -7.714 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.388 -7.559 -4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.630 -6.841 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.522 -9.114 -6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.136 -9.037 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.955 -10.988 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.216 -9.914 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.226 -10.163 -4.441 1.00 0.00 H new ATOM 1829 N ALA A 120 2.579 -6.289 -8.088 1.00 0.00 N ATOM 1830 CA ALA A 120 3.178 -7.183 -9.069 1.00 0.00 C ATOM 1831 C ALA A 120 4.702 -7.060 -9.157 1.00 0.00 C ATOM 1832 O ALA A 120 5.350 -7.988 -9.623 1.00 0.00 O ATOM 1833 CB ALA A 120 2.531 -6.902 -10.426 1.00 0.00 C ATOM 0 H ALA A 120 1.867 -5.669 -8.474 1.00 0.00 H new ATOM 0 HA ALA A 120 2.990 -8.209 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.964 -7.561 -11.179 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.458 -7.081 -10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.710 -5.864 -10.706 1.00 0.00 H new ATOM 1839 N GLU A 121 5.284 -5.942 -8.733 1.00 0.00 N ATOM 1840 CA GLU A 121 6.718 -5.695 -8.724 1.00 0.00 C ATOM 1841 C GLU A 121 7.367 -6.469 -7.558 1.00 0.00 C ATOM 1842 O GLU A 121 8.348 -7.184 -7.755 1.00 0.00 O ATOM 1843 CB GLU A 121 6.904 -4.163 -8.723 1.00 0.00 C ATOM 1844 CG GLU A 121 7.566 -3.569 -7.482 1.00 0.00 C ATOM 1845 CD GLU A 121 9.083 -3.777 -7.478 1.00 0.00 C ATOM 1846 OE1 GLU A 121 9.700 -3.712 -8.576 1.00 0.00 O ATOM 1847 OE2 GLU A 121 9.616 -3.967 -6.368 1.00 0.00 O ATOM 0 H GLU A 121 4.746 -5.154 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 121 7.239 -6.072 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.499 -3.889 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.926 -3.698 -8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.347 -2.502 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.136 -4.025 -6.590 1.00 0.00 H new ATOM 1854 N ILE A 122 6.757 -6.418 -6.369 1.00 0.00 N ATOM 1855 CA ILE A 122 7.204 -7.084 -5.143 1.00 0.00 C ATOM 1856 C ILE A 122 7.265 -8.594 -5.416 1.00 0.00 C ATOM 1857 O ILE A 122 8.177 -9.281 -4.954 1.00 0.00 O ATOM 1858 CB ILE A 122 6.207 -6.732 -3.996 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.872 -5.227 -3.894 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.613 -7.214 -2.599 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.076 -4.300 -3.675 1.00 0.00 C ATOM 0 H ILE A 122 5.898 -5.886 -6.230 1.00 0.00 H new ATOM 0 HA ILE A 122 8.196 -6.752 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 122 5.324 -7.290 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.362 -4.923 -4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.169 -5.083 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.852 -6.918 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.707 -8.300 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.568 -6.768 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.734 -3.267 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.578 -4.569 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.773 -4.406 -4.507 1.00 0.00 H new ATOM 1873 N HIS A 123 6.303 -9.096 -6.200 1.00 0.00 N ATOM 1874 CA HIS A 123 6.278 -10.460 -6.718 1.00 0.00 C ATOM 1875 C HIS A 123 7.507 -10.787 -7.586 1.00 0.00 C ATOM 1876 O HIS A 123 8.140 -11.808 -7.317 1.00 0.00 O ATOM 1877 CB HIS A 123 4.978 -10.735 -7.481 1.00 0.00 C ATOM 1878 CG HIS A 123 3.754 -10.886 -6.610 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.010 -12.030 -6.477 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.206 -9.956 -5.770 1.00 0.00 C ATOM 1881 CE1 HIS A 123 2.030 -11.784 -5.593 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.067 -10.508 -5.183 1.00 0.00 N ATOM 0 H HIS A 123 5.499 -8.544 -6.497 1.00 0.00 H new ATOM 0 HA HIS A 123 6.318 -11.124 -5.854 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.807 -9.921 -8.186 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.103 -11.644 -8.069 1.00 0.00 H new ATOM 0 HD1 HIS A 123 3.172 -12.912 -6.963 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.590 -8.963 -5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.309 -12.515 -5.258 1.00 0.00 H new ATOM 1890 N LYS A 124 7.883 -9.976 -8.599 1.00 0.00 N ATOM 1891 CA LYS A 124 9.143 -10.194 -9.339 1.00 0.00 C ATOM 1892 C LYS A 124 10.306 -10.390 -8.380 1.00 0.00 C ATOM 1893 O LYS A 124 11.009 -11.396 -8.462 1.00 0.00 O ATOM 1894 CB LYS A 124 9.508 -9.047 -10.290 1.00 0.00 C ATOM 1895 CG LYS A 124 8.807 -9.138 -11.642 1.00 0.00 C ATOM 1896 CD LYS A 124 7.414 -8.526 -11.632 1.00 0.00 C ATOM 1897 CE LYS A 124 6.990 -8.097 -13.031 1.00 0.00 C ATOM 1898 NZ LYS A 124 5.617 -7.564 -13.040 1.00 0.00 N ATOM 0 H LYS A 124 7.339 -9.175 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 124 8.968 -11.089 -9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.252 -8.098 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.587 -9.044 -10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.414 -8.634 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.736 -10.184 -11.938 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.699 -9.249 -11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.397 -7.665 -10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.678 -7.339 -13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.055 -8.948 -13.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 5.361 -7.282 -14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 4.958 -8.296 -12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 5.562 -6.737 -12.412 1.00 0.00 H new ATOM 1912 N LEU A 125 10.492 -9.426 -7.482 1.00 0.00 N ATOM 1913 CA LEU A 125 11.591 -9.383 -6.528 1.00 0.00 C ATOM 1914 C LEU A 125 11.490 -10.453 -5.434 1.00 0.00 C ATOM 1915 O LEU A 125 12.412 -10.577 -4.621 1.00 0.00 O ATOM 1916 CB LEU A 125 11.653 -7.956 -5.957 1.00 0.00 C ATOM 1917 CG LEU A 125 12.583 -7.082 -6.824 1.00 0.00 C ATOM 1918 CD1 LEU A 125 12.046 -5.673 -7.009 1.00 0.00 C ATOM 1919 CD2 LEU A 125 13.962 -7.003 -6.179 1.00 0.00 C ATOM 0 H LEU A 125 9.861 -8.629 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 125 12.523 -9.622 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.653 -7.522 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.017 -7.982 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 125 12.642 -7.552 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.737 -5.098 -7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.073 -5.716 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.943 -5.192 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.616 -6.385 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.874 -6.562 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 125 14.383 -8.005 -6.095 1.00 0.00 H new ATOM 1931 N ASN A 126 10.416 -11.248 -5.422 1.00 0.00 N ATOM 1932 CA ASN A 126 10.115 -12.299 -4.455 1.00 0.00 C ATOM 1933 C ASN A 126 10.073 -11.784 -3.006 1.00 0.00 C ATOM 1934 O ASN A 126 10.201 -12.544 -2.046 1.00 0.00 O ATOM 1935 CB ASN A 126 11.040 -13.505 -4.683 1.00 0.00 C ATOM 1936 CG ASN A 126 10.601 -14.724 -3.887 1.00 0.00 C ATOM 1937 OD1 ASN A 126 9.409 -14.956 -3.708 1.00 0.00 O ATOM 1938 ND2 ASN A 126 11.537 -15.531 -3.419 1.00 0.00 N ATOM 0 H ASN A 126 9.690 -11.167 -6.134 1.00 0.00 H new ATOM 0 HA ASN A 126 9.098 -12.651 -4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.056 -13.753 -5.744 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.059 -13.238 -4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.275 -16.367 -2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.521 -15.318 -3.580 1.00 0.00 H new ATOM 1945 N TRP A 127 9.839 -10.481 -2.827 1.00 0.00 N ATOM 1946 CA TRP A 127 9.606 -9.838 -1.537 1.00 0.00 C ATOM 1947 C TRP A 127 8.209 -10.173 -0.971 1.00 0.00 C ATOM 1948 O TRP A 127 7.749 -9.524 -0.027 1.00 0.00 O ATOM 1949 CB TRP A 127 9.822 -8.322 -1.679 1.00 0.00 C ATOM 1950 CG TRP A 127 11.175 -7.794 -2.058 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.335 -8.482 -2.172 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.515 -6.412 -2.378 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.354 -7.627 -2.551 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.906 -6.327 -2.670 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.777 -5.215 -2.447 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.540 -5.111 -2.981 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.394 -3.998 -2.784 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.770 -3.937 -3.053 1.00 0.00 C ATOM 0 H TRP A 127 9.806 -9.824 -3.606 1.00 0.00 H new ATOM 0 HA TRP A 127 10.323 -10.227 -0.814 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.112 -7.961 -2.423 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.549 -7.864 -0.728 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.448 -9.541 -1.994 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.316 -7.920 -2.721 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.718 -5.232 -2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.604 -5.079 -3.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.801 -3.097 -2.837 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.233 -2.997 -3.313 1.00 0.00 H new ATOM 1969 N ALA A 128 7.506 -11.151 -1.548 1.00 0.00 N ATOM 1970 CA ALA A 128 6.216 -11.661 -1.116 1.00 0.00 C ATOM 1971 C ALA A 128 6.238 -13.166 -1.328 1.00 0.00 C ATOM 1972 O ALA A 128 5.469 -13.697 -2.160 1.00 0.00 O ATOM 1973 CB ALA A 128 5.093 -10.966 -1.887 1.00 0.00 C ATOM 0 H ALA A 128 7.849 -11.633 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 128 6.028 -11.454 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.130 -11.355 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.134 -9.893 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.213 -11.154 -2.954 1.00 0.00 H new TER 1979 ALA A 128