USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 776 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 100 THR OG1 : rot 69:sc= 0.358 USER MOD Set 1.2: A 101 HIS : no HE2:sc= 0.488 K(o=0.85,f=-1.4) USER MOD Set 2.1: A 62 SER OG : rot 20:sc= 0.901 USER MOD Set 2.2: A 90 ASN : amide:sc= 0.782 K(o=1.7,f=-5.4!) USER MOD Set 2.3: A 92 ASN : amide:sc= 0.0654 X(o=1.7,f=1.6) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 79:sc= 1.28 USER MOD Single : A 11 GLN : amide:sc= 0.0582 X(o=0.058,f=-0.32) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -127:sc= 1.16 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00625) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -163:sc= 1.24 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 2.1 (180deg=2.02) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -130:sc= 0.214 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 48:sc= 1.19 USER MOD Single : A 91 GLN : amide:sc=-0.00172 X(o=-0.0017,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -40:sc= 0.628 USER MOD Single : A 106 THR OG1 : rot 101:sc= 1.23 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -153:sc= 1.26 USER MOD Single : A 110 GLN : amide:sc= -0.0457 X(o=-0.046,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 17.306 -1.872 11.146 1.00 1.92 N ATOM 28 CA ALA A 3 16.509 -2.590 10.145 1.00 1.82 C ATOM 29 C ALA A 3 15.026 -2.705 10.545 1.00 1.34 C ATOM 30 O ALA A 3 14.150 -2.777 9.680 1.00 1.39 O ATOM 31 CB ALA A 3 17.130 -3.970 9.904 1.00 2.37 C ATOM 0 HA ALA A 3 16.526 -2.016 9.218 1.00 1.82 H new ATOM 0 HB1 ALA A 3 16.542 -4.509 9.161 1.00 2.37 H new ATOM 0 HB2 ALA A 3 18.151 -3.851 9.542 1.00 2.37 H new ATOM 0 HB3 ALA A 3 17.139 -4.533 10.837 1.00 2.37 H new ATOM 37 N LEU A 4 14.738 -2.692 11.852 1.00 1.14 N ATOM 38 CA LEU A 4 13.385 -2.716 12.422 1.00 0.96 C ATOM 39 C LEU A 4 12.531 -1.544 11.914 1.00 0.97 C ATOM 40 O LEU A 4 11.400 -1.756 11.480 1.00 1.54 O ATOM 41 CB LEU A 4 13.529 -2.725 13.960 1.00 0.94 C ATOM 42 CG LEU A 4 12.237 -2.585 14.785 1.00 0.98 C ATOM 43 CD1 LEU A 4 11.277 -3.731 14.515 1.00 1.19 C ATOM 44 CD2 LEU A 4 12.575 -2.594 16.276 1.00 1.35 C ATOM 0 H LEU A 4 15.465 -2.664 12.567 1.00 1.14 H new ATOM 0 HA LEU A 4 12.853 -3.612 12.101 1.00 0.96 H new ATOM 0 HB2 LEU A 4 14.016 -3.656 14.249 1.00 0.94 H new ATOM 0 HB3 LEU A 4 14.200 -1.914 14.242 1.00 0.94 H new ATOM 0 HG LEU A 4 11.764 -1.646 14.497 1.00 0.98 H new ATOM 0 HD11 LEU A 4 10.376 -3.600 15.114 1.00 1.19 H new ATOM 0 HD12 LEU A 4 11.011 -3.742 13.458 1.00 1.19 H new ATOM 0 HD13 LEU A 4 11.754 -4.675 14.779 1.00 1.19 H new ATOM 0 HD21 LEU A 4 11.658 -2.495 16.857 1.00 1.35 H new ATOM 0 HD22 LEU A 4 13.067 -3.532 16.532 1.00 1.35 H new ATOM 0 HD23 LEU A 4 13.241 -1.761 16.503 1.00 1.35 H new ATOM 56 N ALA A 5 13.066 -0.318 11.875 1.00 0.88 N ATOM 57 CA ALA A 5 12.368 0.844 11.324 1.00 1.18 C ATOM 58 C ALA A 5 12.254 0.845 9.785 1.00 0.97 C ATOM 59 O ALA A 5 11.557 1.701 9.231 1.00 1.06 O ATOM 60 CB ALA A 5 13.088 2.099 11.834 1.00 1.59 C ATOM 0 H ALA A 5 14.000 -0.106 12.227 1.00 0.88 H new ATOM 0 HA ALA A 5 11.333 0.815 11.666 1.00 1.18 H new ATOM 0 HB1 ALA A 5 12.593 2.987 11.442 1.00 1.59 H new ATOM 0 HB2 ALA A 5 13.058 2.118 12.923 1.00 1.59 H new ATOM 0 HB3 ALA A 5 14.125 2.084 11.500 1.00 1.59 H new ATOM 66 N LYS A 6 12.922 -0.074 9.064 1.00 0.89 N ATOM 67 CA LYS A 6 12.909 -0.099 7.590 1.00 0.93 C ATOM 68 C LYS A 6 11.503 -0.403 7.069 1.00 1.02 C ATOM 69 O LYS A 6 11.001 0.322 6.217 1.00 1.02 O ATOM 70 CB LYS A 6 13.980 -1.077 7.070 1.00 1.03 C ATOM 71 CG LYS A 6 14.332 -0.819 5.597 1.00 1.22 C ATOM 72 CD LYS A 6 15.502 -1.694 5.126 1.00 1.69 C ATOM 73 CE LYS A 6 15.960 -1.238 3.736 1.00 2.01 C ATOM 74 NZ LYS A 6 17.206 -1.909 3.304 1.00 2.49 N ATOM 0 H LYS A 6 13.483 -0.816 9.484 1.00 0.89 H new ATOM 0 HA LYS A 6 13.168 0.886 7.202 1.00 0.93 H new ATOM 0 HB2 LYS A 6 14.880 -0.986 7.679 1.00 1.03 H new ATOM 0 HB3 LYS A 6 13.621 -2.100 7.183 1.00 1.03 H new ATOM 0 HG2 LYS A 6 13.459 -1.016 4.975 1.00 1.22 H new ATOM 0 HG3 LYS A 6 14.588 0.232 5.464 1.00 1.22 H new ATOM 0 HD2 LYS A 6 16.329 -1.624 5.833 1.00 1.69 H new ATOM 0 HD3 LYS A 6 15.197 -2.740 5.094 1.00 1.69 H new ATOM 0 HE2 LYS A 6 15.171 -1.441 3.012 1.00 2.01 H new ATOM 0 HE3 LYS A 6 16.115 -0.159 3.743 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 17.475 -1.567 2.359 1.00 2.49 H new ATOM 0 HZ2 LYS A 6 17.968 -1.695 3.979 1.00 2.49 H new ATOM 0 HZ3 LYS A 6 17.053 -2.937 3.270 1.00 2.49 H new ATOM 88 N LEU A 7 10.818 -1.368 7.692 1.00 1.13 N ATOM 89 CA LEU A 7 9.405 -1.718 7.466 1.00 1.29 C ATOM 90 C LEU A 7 8.496 -0.473 7.415 1.00 1.45 C ATOM 91 O LEU A 7 7.788 -0.252 6.437 1.00 1.68 O ATOM 92 CB LEU A 7 8.948 -2.658 8.609 1.00 1.18 C ATOM 93 CG LEU A 7 9.298 -4.156 8.504 1.00 1.18 C ATOM 94 CD1 LEU A 7 8.520 -4.835 7.376 1.00 1.50 C ATOM 95 CD2 LEU A 7 10.792 -4.428 8.323 1.00 1.10 C ATOM 0 H LEU A 7 11.252 -1.957 8.403 1.00 1.13 H new ATOM 0 HA LEU A 7 9.321 -2.212 6.498 1.00 1.29 H new ATOM 0 HB2 LEU A 7 9.372 -2.281 9.540 1.00 1.18 H new ATOM 0 HB3 LEU A 7 7.865 -2.574 8.696 1.00 1.18 H new ATOM 0 HG LEU A 7 9.004 -4.582 9.463 1.00 1.18 H new ATOM 0 HD11 LEU A 7 8.791 -5.890 7.331 1.00 1.50 H new ATOM 0 HD12 LEU A 7 7.450 -4.743 7.565 1.00 1.50 H new ATOM 0 HD13 LEU A 7 8.763 -4.357 6.427 1.00 1.50 H new ATOM 0 HD21 LEU A 7 10.961 -5.503 8.257 1.00 1.10 H new ATOM 0 HD22 LEU A 7 11.141 -3.949 7.408 1.00 1.10 H new ATOM 0 HD23 LEU A 7 11.341 -4.026 9.175 1.00 1.10 H new ATOM 107 N ILE A 8 8.574 0.378 8.443 1.00 1.41 N ATOM 108 CA ILE A 8 7.793 1.623 8.546 1.00 1.56 C ATOM 109 C ILE A 8 8.251 2.682 7.528 1.00 1.39 C ATOM 110 O ILE A 8 7.435 3.464 7.027 1.00 1.40 O ATOM 111 CB ILE A 8 7.861 2.147 10.003 1.00 1.71 C ATOM 112 CG1 ILE A 8 7.166 1.184 10.996 1.00 1.93 C ATOM 113 CG2 ILE A 8 7.294 3.568 10.167 1.00 1.78 C ATOM 114 CD1 ILE A 8 5.660 0.958 10.776 1.00 2.14 C ATOM 0 H ILE A 8 9.190 0.222 9.241 1.00 1.41 H new ATOM 0 HA ILE A 8 6.754 1.407 8.297 1.00 1.56 H new ATOM 0 HB ILE A 8 8.924 2.192 10.240 1.00 1.71 H new ATOM 0 HG12 ILE A 8 7.669 0.218 10.947 1.00 1.93 H new ATOM 0 HG13 ILE A 8 7.312 1.568 12.006 1.00 1.93 H new ATOM 0 HG21 ILE A 8 7.372 3.873 11.211 1.00 1.78 H new ATOM 0 HG22 ILE A 8 7.860 4.260 9.543 1.00 1.78 H new ATOM 0 HG23 ILE A 8 6.247 3.579 9.863 1.00 1.78 H new ATOM 0 HD11 ILE A 8 5.282 0.267 11.529 1.00 2.14 H new ATOM 0 HD12 ILE A 8 5.133 1.909 10.859 1.00 2.14 H new ATOM 0 HD13 ILE A 8 5.496 0.538 9.784 1.00 2.14 H new ATOM 126 N SER A 9 9.540 2.681 7.185 1.00 1.26 N ATOM 127 CA SER A 9 10.177 3.666 6.307 1.00 1.10 C ATOM 128 C SER A 9 9.848 3.470 4.824 1.00 1.06 C ATOM 129 O SER A 9 9.800 4.457 4.093 1.00 1.03 O ATOM 130 CB SER A 9 11.692 3.638 6.509 1.00 1.08 C ATOM 131 OG SER A 9 12.023 3.973 7.850 1.00 1.27 O ATOM 0 H SER A 9 10.191 1.972 7.521 1.00 1.26 H new ATOM 0 HA SER A 9 9.772 4.638 6.588 1.00 1.10 H new ATOM 0 HB2 SER A 9 12.078 2.647 6.270 1.00 1.08 H new ATOM 0 HB3 SER A 9 12.169 4.340 5.825 1.00 1.08 H new ATOM 0 HG SER A 9 11.879 3.194 8.427 1.00 1.27 H new ATOM 137 N LEU A 10 9.562 2.240 4.373 1.00 1.21 N ATOM 138 CA LEU A 10 9.137 1.970 2.988 1.00 1.41 C ATOM 139 C LEU A 10 7.792 2.634 2.615 1.00 1.58 C ATOM 140 O LEU A 10 7.531 2.838 1.429 1.00 1.79 O ATOM 141 CB LEU A 10 9.046 0.445 2.743 1.00 1.64 C ATOM 142 CG LEU A 10 10.323 -0.213 2.186 1.00 1.70 C ATOM 143 CD1 LEU A 10 11.367 -0.464 3.265 1.00 2.00 C ATOM 144 CD2 LEU A 10 9.988 -1.574 1.574 1.00 1.74 C ATOM 0 H LEU A 10 9.618 1.404 4.955 1.00 1.21 H new ATOM 0 HA LEU A 10 9.898 2.413 2.346 1.00 1.41 H new ATOM 0 HB2 LEU A 10 8.787 -0.042 3.683 1.00 1.64 H new ATOM 0 HB3 LEU A 10 8.227 0.254 2.049 1.00 1.64 H new ATOM 0 HG LEU A 10 10.723 0.480 1.446 1.00 1.70 H new ATOM 0 HD11 LEU A 10 12.246 -0.929 2.819 1.00 2.00 H new ATOM 0 HD12 LEU A 10 11.651 0.483 3.724 1.00 2.00 H new ATOM 0 HD13 LEU A 10 10.953 -1.126 4.025 1.00 2.00 H new ATOM 0 HD21 LEU A 10 10.897 -2.031 1.183 1.00 1.74 H new ATOM 0 HD22 LEU A 10 9.557 -2.220 2.338 1.00 1.74 H new ATOM 0 HD23 LEU A 10 9.271 -1.442 0.764 1.00 1.74 H new ATOM 156 N GLN A 11 6.932 2.931 3.598 1.00 1.58 N ATOM 157 CA GLN A 11 5.577 3.466 3.397 1.00 1.74 C ATOM 158 C GLN A 11 5.561 4.899 2.843 1.00 1.65 C ATOM 159 O GLN A 11 6.306 5.762 3.315 1.00 1.48 O ATOM 160 CB GLN A 11 4.793 3.445 4.702 1.00 1.83 C ATOM 161 CG GLN A 11 4.590 2.041 5.278 1.00 1.81 C ATOM 162 CD GLN A 11 3.890 2.188 6.613 1.00 1.86 C ATOM 163 OE1 GLN A 11 2.703 1.941 6.764 1.00 2.49 O ATOM 164 NE2 GLN A 11 4.591 2.694 7.596 1.00 2.22 N ATOM 0 H GLN A 11 7.165 2.803 4.583 1.00 1.58 H new ATOM 0 HA GLN A 11 5.113 2.816 2.655 1.00 1.74 H new ATOM 0 HB2 GLN A 11 5.314 4.058 5.438 1.00 1.83 H new ATOM 0 HB3 GLN A 11 3.818 3.904 4.537 1.00 1.83 H new ATOM 0 HG2 GLN A 11 3.994 1.431 4.599 1.00 1.81 H new ATOM 0 HG3 GLN A 11 5.548 1.536 5.402 1.00 1.81 H new ATOM 0 HE21 GLN A 11 5.582 2.898 7.464 1.00 2.22 H new ATOM 0 HE22 GLN A 11 4.147 2.884 8.494 1.00 2.22 H new ATOM 173 N ALA A 12 4.638 5.156 1.910 1.00 1.78 N ATOM 174 CA ALA A 12 4.365 6.482 1.354 1.00 1.57 C ATOM 175 C ALA A 12 3.520 7.360 2.303 1.00 1.51 C ATOM 176 O ALA A 12 2.785 6.846 3.145 1.00 2.21 O ATOM 177 CB ALA A 12 3.702 6.292 -0.012 1.00 1.82 C ATOM 0 H ALA A 12 4.046 4.427 1.512 1.00 1.78 H new ATOM 0 HA ALA A 12 5.301 7.027 1.234 1.00 1.57 H new ATOM 0 HB1 ALA A 12 3.487 7.266 -0.451 1.00 1.82 H new ATOM 0 HB2 ALA A 12 4.374 5.739 -0.669 1.00 1.82 H new ATOM 0 HB3 ALA A 12 2.773 5.735 0.109 1.00 1.82 H new ATOM 183 N THR A 13 3.596 8.686 2.143 1.00 1.39 N ATOM 184 CA THR A 13 3.038 9.672 3.098 1.00 1.31 C ATOM 185 C THR A 13 1.809 10.445 2.612 1.00 1.08 C ATOM 186 O THR A 13 1.248 11.269 3.338 1.00 1.07 O ATOM 187 CB THR A 13 4.102 10.691 3.557 1.00 1.37 C ATOM 188 OG1 THR A 13 5.441 10.358 3.230 1.00 1.88 O ATOM 189 CG2 THR A 13 4.016 10.810 5.067 1.00 1.97 C ATOM 0 H THR A 13 4.051 9.118 1.339 1.00 1.39 H new ATOM 0 HA THR A 13 2.709 9.047 3.928 1.00 1.31 H new ATOM 0 HB THR A 13 3.877 11.617 3.027 1.00 1.37 H new ATOM 0 HG1 THR A 13 6.042 11.059 3.558 1.00 1.88 H new ATOM 0 HG21 THR A 13 4.759 11.526 5.418 1.00 1.97 H new ATOM 0 HG22 THR A 13 3.020 11.153 5.349 1.00 1.97 H new ATOM 0 HG23 THR A 13 4.207 9.837 5.520 1.00 1.97 H new ATOM 197 N GLU A 14 1.387 10.201 1.381 1.00 0.99 N ATOM 198 CA GLU A 14 0.247 10.851 0.716 1.00 0.85 C ATOM 199 C GLU A 14 -0.638 9.850 -0.051 1.00 0.77 C ATOM 200 O GLU A 14 -0.170 8.772 -0.428 1.00 0.87 O ATOM 201 CB GLU A 14 0.747 12.001 -0.179 1.00 1.00 C ATOM 202 CG GLU A 14 1.506 11.597 -1.461 1.00 1.23 C ATOM 203 CD GLU A 14 2.919 11.042 -1.220 1.00 2.28 C ATOM 204 OE1 GLU A 14 3.858 11.845 -0.992 1.00 2.57 O ATOM 205 OE2 GLU A 14 3.119 9.805 -1.286 1.00 3.90 O ATOM 0 H GLU A 14 1.845 9.514 0.783 1.00 0.99 H new ATOM 0 HA GLU A 14 -0.398 11.275 1.486 1.00 0.85 H new ATOM 0 HB2 GLU A 14 -0.112 12.607 -0.468 1.00 1.00 H new ATOM 0 HB3 GLU A 14 1.400 12.638 0.417 1.00 1.00 H new ATOM 0 HG2 GLU A 14 0.921 10.847 -1.993 1.00 1.23 H new ATOM 0 HG3 GLU A 14 1.578 12.467 -2.114 1.00 1.23 H new ATOM 212 N ALA A 15 -1.911 10.191 -0.288 1.00 0.68 N ATOM 213 CA ALA A 15 -2.869 9.342 -1.008 1.00 0.68 C ATOM 214 C ALA A 15 -3.810 10.141 -1.933 1.00 0.66 C ATOM 215 O ALA A 15 -4.216 11.254 -1.593 1.00 0.82 O ATOM 216 CB ALA A 15 -3.671 8.534 0.023 1.00 0.68 C ATOM 0 H ALA A 15 -2.310 11.078 0.020 1.00 0.68 H new ATOM 0 HA ALA A 15 -2.308 8.676 -1.664 1.00 0.68 H new ATOM 0 HB1 ALA A 15 -4.389 7.896 -0.493 1.00 0.68 H new ATOM 0 HB2 ALA A 15 -2.991 7.915 0.609 1.00 0.68 H new ATOM 0 HB3 ALA A 15 -4.203 9.216 0.686 1.00 0.68 H new ATOM 222 N THR A 16 -4.212 9.541 -3.060 1.00 0.56 N ATOM 223 CA THR A 16 -5.189 10.111 -4.012 1.00 0.54 C ATOM 224 C THR A 16 -6.532 9.369 -3.947 1.00 0.48 C ATOM 225 O THR A 16 -6.650 8.244 -4.432 1.00 0.53 O ATOM 226 CB THR A 16 -4.624 10.119 -5.443 1.00 0.66 C ATOM 227 OG1 THR A 16 -3.394 10.812 -5.466 1.00 0.81 O ATOM 228 CG2 THR A 16 -5.543 10.836 -6.433 1.00 0.70 C ATOM 0 H THR A 16 -3.863 8.626 -3.347 1.00 0.56 H new ATOM 0 HA THR A 16 -5.373 11.145 -3.720 1.00 0.54 H new ATOM 0 HB THR A 16 -4.518 9.074 -5.735 1.00 0.66 H new ATOM 0 HG1 THR A 16 -3.036 10.814 -6.378 1.00 0.81 H new ATOM 0 HG21 THR A 16 -5.096 10.812 -7.427 1.00 0.70 H new ATOM 0 HG22 THR A 16 -6.511 10.336 -6.458 1.00 0.70 H new ATOM 0 HG23 THR A 16 -5.677 11.872 -6.120 1.00 0.70 H new ATOM 236 N ILE A 17 -7.551 9.998 -3.357 1.00 0.45 N ATOM 237 CA ILE A 17 -8.935 9.501 -3.248 1.00 0.47 C ATOM 238 C ILE A 17 -9.702 9.831 -4.540 1.00 0.50 C ATOM 239 O ILE A 17 -9.469 10.885 -5.130 1.00 0.56 O ATOM 240 CB ILE A 17 -9.653 10.121 -2.012 1.00 0.49 C ATOM 241 CG1 ILE A 17 -8.799 10.033 -0.721 1.00 0.47 C ATOM 242 CG2 ILE A 17 -11.029 9.452 -1.802 1.00 0.59 C ATOM 243 CD1 ILE A 17 -9.460 10.600 0.545 1.00 0.54 C ATOM 0 H ILE A 17 -7.434 10.912 -2.920 1.00 0.45 H new ATOM 0 HA ILE A 17 -8.911 8.420 -3.111 1.00 0.47 H new ATOM 0 HB ILE A 17 -9.797 11.181 -2.221 1.00 0.49 H new ATOM 0 HG12 ILE A 17 -8.548 8.988 -0.542 1.00 0.47 H new ATOM 0 HG13 ILE A 17 -7.861 10.562 -0.889 1.00 0.47 H new ATOM 0 HG21 ILE A 17 -11.520 9.894 -0.935 1.00 0.59 H new ATOM 0 HG22 ILE A 17 -11.647 9.605 -2.687 1.00 0.59 H new ATOM 0 HG23 ILE A 17 -10.892 8.383 -1.636 1.00 0.59 H new ATOM 0 HD11 ILE A 17 -8.781 10.490 1.390 1.00 0.54 H new ATOM 0 HD12 ILE A 17 -9.686 11.656 0.396 1.00 0.54 H new ATOM 0 HD13 ILE A 17 -10.383 10.057 0.748 1.00 0.54 H new ATOM 255 N VAL A 18 -10.653 8.987 -4.963 1.00 0.60 N ATOM 256 CA VAL A 18 -11.587 9.319 -6.064 1.00 0.73 C ATOM 257 C VAL A 18 -13.068 9.284 -5.677 1.00 0.88 C ATOM 258 O VAL A 18 -13.516 8.389 -4.948 1.00 1.05 O ATOM 259 CB VAL A 18 -11.322 8.504 -7.345 1.00 0.89 C ATOM 260 CG1 VAL A 18 -10.018 8.940 -8.003 1.00 1.59 C ATOM 261 CG2 VAL A 18 -11.272 6.989 -7.115 1.00 2.11 C ATOM 0 H VAL A 18 -10.801 8.062 -4.560 1.00 0.60 H new ATOM 0 HA VAL A 18 -11.365 10.363 -6.286 1.00 0.73 H new ATOM 0 HB VAL A 18 -12.171 8.710 -7.997 1.00 0.89 H new ATOM 0 HG11 VAL A 18 -9.851 8.351 -8.905 1.00 1.59 H new ATOM 0 HG12 VAL A 18 -10.078 9.996 -8.265 1.00 1.59 H new ATOM 0 HG13 VAL A 18 -9.191 8.784 -7.310 1.00 1.59 H new ATOM 0 HG21 VAL A 18 -11.082 6.483 -8.062 1.00 2.11 H new ATOM 0 HG22 VAL A 18 -10.473 6.754 -6.411 1.00 2.11 H new ATOM 0 HG23 VAL A 18 -12.225 6.651 -6.708 1.00 2.11 H new ATOM 271 N THR A 19 -13.834 10.253 -6.197 1.00 0.94 N ATOM 272 CA THR A 19 -15.280 10.436 -5.944 1.00 1.18 C ATOM 273 C THR A 19 -16.137 10.514 -7.207 1.00 1.22 C ATOM 274 O THR A 19 -15.781 11.150 -8.204 1.00 1.18 O ATOM 275 CB THR A 19 -15.597 11.683 -5.092 1.00 1.41 C ATOM 276 OG1 THR A 19 -14.809 12.804 -5.438 1.00 2.66 O ATOM 277 CG2 THR A 19 -15.375 11.436 -3.606 1.00 2.00 C ATOM 0 H THR A 19 -13.455 10.959 -6.829 1.00 0.94 H new ATOM 0 HA THR A 19 -15.540 9.531 -5.396 1.00 1.18 H new ATOM 0 HB THR A 19 -16.647 11.888 -5.299 1.00 1.41 H new ATOM 0 HG1 THR A 19 -15.053 13.564 -4.869 1.00 2.66 H new ATOM 0 HG21 THR A 19 -15.611 12.342 -3.047 1.00 2.00 H new ATOM 0 HG22 THR A 19 -16.021 10.625 -3.271 1.00 2.00 H new ATOM 0 HG23 THR A 19 -14.333 11.165 -3.434 1.00 2.00 H new ATOM 391 N LEU A 27 -15.902 11.709 -12.412 1.00 1.48 N ATOM 392 CA LEU A 27 -14.999 10.902 -11.569 1.00 1.47 C ATOM 393 C LEU A 27 -13.738 11.692 -11.129 1.00 1.54 C ATOM 394 O LEU A 27 -12.670 11.606 -11.748 1.00 2.48 O ATOM 395 CB LEU A 27 -14.685 9.575 -12.291 1.00 2.02 C ATOM 396 CG LEU A 27 -13.814 8.590 -11.482 1.00 2.09 C ATOM 397 CD1 LEU A 27 -14.480 8.107 -10.195 1.00 3.28 C ATOM 398 CD2 LEU A 27 -13.517 7.359 -12.331 1.00 2.77 C ATOM 0 HA LEU A 27 -15.500 10.659 -10.632 1.00 1.47 H new ATOM 0 HB2 LEU A 27 -15.625 9.084 -12.544 1.00 2.02 H new ATOM 0 HB3 LEU A 27 -14.179 9.799 -13.230 1.00 2.02 H new ATOM 0 HG LEU A 27 -12.909 9.136 -11.214 1.00 2.09 H new ATOM 0 HD11 LEU A 27 -13.813 7.418 -9.677 1.00 3.28 H new ATOM 0 HD12 LEU A 27 -14.691 8.961 -9.552 1.00 3.28 H new ATOM 0 HD13 LEU A 27 -15.412 7.596 -10.437 1.00 3.28 H new ATOM 0 HD21 LEU A 27 -12.902 6.663 -11.760 1.00 2.77 H new ATOM 0 HD22 LEU A 27 -14.453 6.873 -12.608 1.00 2.77 H new ATOM 0 HD23 LEU A 27 -12.984 7.659 -13.233 1.00 2.77 H new ATOM 410 N SER A 28 -13.893 12.516 -10.089 1.00 1.04 N ATOM 411 CA SER A 28 -12.868 13.464 -9.624 1.00 1.12 C ATOM 412 C SER A 28 -11.781 12.787 -8.787 1.00 1.15 C ATOM 413 O SER A 28 -12.046 11.777 -8.136 1.00 1.38 O ATOM 414 CB SER A 28 -13.519 14.572 -8.795 1.00 1.23 C ATOM 415 OG SER A 28 -12.643 15.674 -8.637 1.00 1.67 O ATOM 0 H SER A 28 -14.749 12.546 -9.534 1.00 1.04 H new ATOM 0 HA SER A 28 -12.395 13.881 -10.513 1.00 1.12 H new ATOM 0 HB2 SER A 28 -14.438 14.901 -9.280 1.00 1.23 H new ATOM 0 HB3 SER A 28 -13.797 14.182 -7.816 1.00 1.23 H new ATOM 0 HG SER A 28 -12.562 15.894 -7.685 1.00 1.67 H new ATOM 421 N GLU A 29 -10.575 13.365 -8.768 1.00 1.02 N ATOM 422 CA GLU A 29 -9.437 12.914 -7.963 1.00 0.93 C ATOM 423 C GLU A 29 -9.053 13.995 -6.929 1.00 0.87 C ATOM 424 O GLU A 29 -8.874 15.169 -7.276 1.00 1.00 O ATOM 425 CB GLU A 29 -8.234 12.618 -8.877 1.00 0.99 C ATOM 426 CG GLU A 29 -8.455 11.543 -9.948 1.00 1.13 C ATOM 427 CD GLU A 29 -7.491 11.671 -11.137 1.00 1.66 C ATOM 428 OE1 GLU A 29 -6.262 11.855 -10.937 1.00 2.65 O ATOM 429 OE2 GLU A 29 -7.957 11.523 -12.297 1.00 2.28 O ATOM 0 H GLU A 29 -10.358 14.187 -9.332 1.00 1.02 H new ATOM 0 HA GLU A 29 -9.720 12.004 -7.434 1.00 0.93 H new ATOM 0 HB2 GLU A 29 -7.943 13.544 -9.374 1.00 0.99 H new ATOM 0 HB3 GLU A 29 -7.394 12.314 -8.252 1.00 0.99 H new ATOM 0 HG2 GLU A 29 -8.336 10.558 -9.496 1.00 1.13 H new ATOM 0 HG3 GLU A 29 -9.481 11.606 -10.311 1.00 1.13 H new ATOM 436 N GLU A 30 -8.879 13.600 -5.668 1.00 0.76 N ATOM 437 CA GLU A 30 -8.576 14.468 -4.519 1.00 0.78 C ATOM 438 C GLU A 30 -7.316 13.962 -3.788 1.00 0.68 C ATOM 439 O GLU A 30 -7.190 12.762 -3.553 1.00 0.66 O ATOM 440 CB GLU A 30 -9.767 14.498 -3.534 1.00 1.02 C ATOM 441 CG GLU A 30 -11.188 14.494 -4.133 1.00 1.35 C ATOM 442 CD GLU A 30 -11.505 15.705 -5.020 1.00 2.55 C ATOM 443 OE1 GLU A 30 -11.285 16.864 -4.590 1.00 2.91 O ATOM 444 OE2 GLU A 30 -12.052 15.543 -6.136 1.00 3.98 O ATOM 0 H GLU A 30 -8.948 12.618 -5.402 1.00 0.76 H new ATOM 0 HA GLU A 30 -8.397 15.477 -4.890 1.00 0.78 H new ATOM 0 HB2 GLU A 30 -9.678 13.636 -2.873 1.00 1.02 H new ATOM 0 HB3 GLU A 30 -9.667 15.388 -2.912 1.00 1.02 H new ATOM 0 HG2 GLU A 30 -11.319 13.585 -4.720 1.00 1.35 H new ATOM 0 HG3 GLU A 30 -11.912 14.455 -3.319 1.00 1.35 H new ATOM 451 N GLN A 31 -6.380 14.832 -3.394 1.00 0.78 N ATOM 452 CA GLN A 31 -5.105 14.452 -2.771 1.00 0.81 C ATOM 453 C GLN A 31 -5.044 14.842 -1.285 1.00 0.78 C ATOM 454 O GLN A 31 -5.321 15.994 -0.927 1.00 0.87 O ATOM 455 CB GLN A 31 -3.952 15.114 -3.532 1.00 0.94 C ATOM 456 CG GLN A 31 -3.806 14.609 -4.971 1.00 1.12 C ATOM 457 CD GLN A 31 -2.572 15.197 -5.600 1.00 1.43 C ATOM 458 OE1 GLN A 31 -2.576 16.240 -6.240 1.00 1.97 O ATOM 459 NE2 GLN A 31 -1.449 14.570 -5.354 1.00 1.50 N ATOM 0 H GLN A 31 -6.489 15.841 -3.501 1.00 0.78 H new ATOM 0 HA GLN A 31 -5.018 13.367 -2.823 1.00 0.81 H new ATOM 0 HB2 GLN A 31 -4.108 16.193 -3.547 1.00 0.94 H new ATOM 0 HB3 GLN A 31 -3.021 14.934 -2.995 1.00 0.94 H new ATOM 0 HG2 GLN A 31 -3.745 13.521 -4.979 1.00 1.12 H new ATOM 0 HG3 GLN A 31 -4.686 14.883 -5.552 1.00 1.12 H new ATOM 0 HE21 GLN A 31 -1.456 13.701 -4.820 1.00 1.50 H new ATOM 0 HE22 GLN A 31 -0.567 14.950 -5.697 1.00 1.50 H new ATOM 468 N VAL A 32 -4.647 13.897 -0.424 1.00 0.70 N ATOM 469 CA VAL A 32 -4.652 14.037 1.048 1.00 0.70 C ATOM 470 C VAL A 32 -3.391 13.470 1.726 1.00 0.72 C ATOM 471 O VAL A 32 -2.572 12.786 1.106 1.00 0.70 O ATOM 472 CB VAL A 32 -5.920 13.403 1.665 1.00 0.73 C ATOM 473 CG1 VAL A 32 -7.223 13.935 1.054 1.00 0.76 C ATOM 474 CG2 VAL A 32 -5.940 11.874 1.566 1.00 0.75 C ATOM 0 H VAL A 32 -4.303 12.988 -0.734 1.00 0.70 H new ATOM 0 HA VAL A 32 -4.655 15.110 1.240 1.00 0.70 H new ATOM 0 HB VAL A 32 -5.869 13.696 2.714 1.00 0.73 H new ATOM 0 HG11 VAL A 32 -8.074 13.449 1.532 1.00 0.76 H new ATOM 0 HG12 VAL A 32 -7.285 15.012 1.211 1.00 0.76 H new ATOM 0 HG13 VAL A 32 -7.237 13.722 -0.015 1.00 0.76 H new ATOM 0 HG21 VAL A 32 -6.856 11.492 2.017 1.00 0.75 H new ATOM 0 HG22 VAL A 32 -5.900 11.577 0.518 1.00 0.75 H new ATOM 0 HG23 VAL A 32 -5.078 11.464 2.092 1.00 0.75 H new ATOM 484 N ASP A 33 -3.229 13.762 3.017 1.00 0.81 N ATOM 485 CA ASP A 33 -2.197 13.188 3.894 1.00 0.84 C ATOM 486 C ASP A 33 -2.566 11.776 4.394 1.00 0.83 C ATOM 487 O ASP A 33 -3.743 11.449 4.551 1.00 0.85 O ATOM 488 CB ASP A 33 -1.951 14.151 5.062 1.00 0.95 C ATOM 489 CG ASP A 33 -0.961 13.613 6.092 1.00 2.03 C ATOM 490 OD1 ASP A 33 0.263 13.695 5.862 1.00 2.59 O ATOM 491 OD2 ASP A 33 -1.387 13.119 7.158 1.00 3.38 O ATOM 0 H ASP A 33 -3.831 14.427 3.502 1.00 0.81 H new ATOM 0 HA ASP A 33 -1.279 13.067 3.318 1.00 0.84 H new ATOM 0 HB2 ASP A 33 -1.578 15.098 4.671 1.00 0.95 H new ATOM 0 HB3 ASP A 33 -2.900 14.361 5.556 1.00 0.95 H new ATOM 496 N VAL A 34 -1.558 10.946 4.694 1.00 0.86 N ATOM 497 CA VAL A 34 -1.743 9.564 5.186 1.00 0.91 C ATOM 498 C VAL A 34 -2.529 9.437 6.512 1.00 0.97 C ATOM 499 O VAL A 34 -3.085 8.368 6.776 1.00 1.07 O ATOM 500 CB VAL A 34 -0.388 8.824 5.211 1.00 1.00 C ATOM 501 CG1 VAL A 34 0.562 9.361 6.288 1.00 1.16 C ATOM 502 CG2 VAL A 34 -0.528 7.304 5.364 1.00 1.15 C ATOM 0 H VAL A 34 -0.578 11.213 4.603 1.00 0.86 H new ATOM 0 HA VAL A 34 -2.398 9.069 4.469 1.00 0.91 H new ATOM 0 HB VAL A 34 0.047 9.025 4.232 1.00 1.00 H new ATOM 0 HG11 VAL A 34 1.498 8.803 6.258 1.00 1.16 H new ATOM 0 HG12 VAL A 34 0.762 10.416 6.103 1.00 1.16 H new ATOM 0 HG13 VAL A 34 0.102 9.246 7.269 1.00 1.16 H new ATOM 0 HG21 VAL A 34 0.461 6.847 5.374 1.00 1.15 H new ATOM 0 HG22 VAL A 34 -1.042 7.078 6.298 1.00 1.15 H new ATOM 0 HG23 VAL A 34 -1.103 6.906 4.528 1.00 1.15 H new ATOM 512 N GLU A 35 -2.669 10.494 7.328 1.00 0.98 N ATOM 513 CA GLU A 35 -3.590 10.493 8.492 1.00 1.05 C ATOM 514 C GLU A 35 -5.046 10.885 8.129 1.00 1.01 C ATOM 515 O GLU A 35 -5.984 10.578 8.875 1.00 1.08 O ATOM 516 CB GLU A 35 -3.027 11.371 9.634 1.00 1.27 C ATOM 517 CG GLU A 35 -3.807 11.151 10.945 1.00 1.63 C ATOM 518 CD GLU A 35 -3.249 11.907 12.150 1.00 2.17 C ATOM 519 OE1 GLU A 35 -3.637 13.081 12.362 1.00 3.04 O ATOM 520 OE2 GLU A 35 -2.513 11.301 12.969 1.00 2.91 O ATOM 0 H GLU A 35 -2.156 11.368 7.208 1.00 0.98 H new ATOM 0 HA GLU A 35 -3.647 9.463 8.843 1.00 1.05 H new ATOM 0 HB2 GLU A 35 -1.974 11.136 9.791 1.00 1.27 H new ATOM 0 HB3 GLU A 35 -3.080 12.422 9.348 1.00 1.27 H new ATOM 0 HG2 GLU A 35 -4.843 11.452 10.791 1.00 1.63 H new ATOM 0 HG3 GLU A 35 -3.816 10.085 11.173 1.00 1.63 H new ATOM 527 N LEU A 36 -5.258 11.554 6.989 1.00 0.95 N ATOM 528 CA LEU A 36 -6.550 12.120 6.569 1.00 0.96 C ATOM 529 C LEU A 36 -7.354 11.194 5.638 1.00 0.88 C ATOM 530 O LEU A 36 -8.563 11.379 5.485 1.00 0.91 O ATOM 531 CB LEU A 36 -6.303 13.483 5.895 1.00 1.02 C ATOM 532 CG LEU A 36 -5.525 14.513 6.737 1.00 1.12 C ATOM 533 CD1 LEU A 36 -5.390 15.819 5.953 1.00 1.21 C ATOM 534 CD2 LEU A 36 -6.192 14.819 8.074 1.00 1.18 C ATOM 0 H LEU A 36 -4.514 11.723 6.312 1.00 0.95 H new ATOM 0 HA LEU A 36 -7.160 12.240 7.464 1.00 0.96 H new ATOM 0 HB2 LEU A 36 -5.758 13.315 4.966 1.00 1.02 H new ATOM 0 HB3 LEU A 36 -7.267 13.915 5.626 1.00 1.02 H new ATOM 0 HG LEU A 36 -4.550 14.072 6.945 1.00 1.12 H new ATOM 0 HD11 LEU A 36 -4.840 16.546 6.550 1.00 1.21 H new ATOM 0 HD12 LEU A 36 -4.853 15.631 5.023 1.00 1.21 H new ATOM 0 HD13 LEU A 36 -6.381 16.211 5.726 1.00 1.21 H new ATOM 0 HD21 LEU A 36 -5.596 15.551 8.619 1.00 1.18 H new ATOM 0 HD22 LEU A 36 -7.190 15.222 7.899 1.00 1.18 H new ATOM 0 HD23 LEU A 36 -6.268 13.903 8.661 1.00 1.18 H new ATOM 546 N VAL A 37 -6.708 10.199 5.025 1.00 0.86 N ATOM 547 CA VAL A 37 -7.383 9.104 4.308 1.00 0.83 C ATOM 548 C VAL A 37 -7.862 8.059 5.319 1.00 0.98 C ATOM 549 O VAL A 37 -7.139 7.728 6.259 1.00 1.60 O ATOM 550 CB VAL A 37 -6.482 8.500 3.208 1.00 0.82 C ATOM 551 CG1 VAL A 37 -5.125 7.996 3.719 1.00 0.92 C ATOM 552 CG2 VAL A 37 -7.176 7.359 2.460 1.00 0.91 C ATOM 0 H VAL A 37 -5.691 10.126 5.010 1.00 0.86 H new ATOM 0 HA VAL A 37 -8.255 9.499 3.787 1.00 0.83 H new ATOM 0 HB VAL A 37 -6.296 9.333 2.530 1.00 0.82 H new ATOM 0 HG11 VAL A 37 -4.552 7.587 2.887 1.00 0.92 H new ATOM 0 HG12 VAL A 37 -4.575 8.824 4.167 1.00 0.92 H new ATOM 0 HG13 VAL A 37 -5.284 7.219 4.467 1.00 0.92 H new ATOM 0 HG21 VAL A 37 -6.506 6.964 1.696 1.00 0.91 H new ATOM 0 HG22 VAL A 37 -7.432 6.566 3.163 1.00 0.91 H new ATOM 0 HG23 VAL A 37 -8.084 7.733 1.988 1.00 0.91 H new ATOM 562 N GLN A 38 -9.068 7.522 5.137 1.00 0.81 N ATOM 563 CA GLN A 38 -9.648 6.488 5.999 1.00 0.85 C ATOM 564 C GLN A 38 -9.931 5.203 5.208 1.00 0.81 C ATOM 565 O GLN A 38 -10.069 5.219 3.983 1.00 0.78 O ATOM 566 CB GLN A 38 -10.911 7.032 6.688 1.00 0.95 C ATOM 567 CG GLN A 38 -10.592 8.139 7.709 1.00 2.14 C ATOM 568 CD GLN A 38 -11.839 8.829 8.220 1.00 2.41 C ATOM 569 OE1 GLN A 38 -11.983 10.047 8.189 1.00 3.53 O ATOM 570 NE2 GLN A 38 -12.813 8.102 8.688 1.00 2.22 N ATOM 0 H GLN A 38 -9.683 7.798 4.371 1.00 0.81 H new ATOM 0 HA GLN A 38 -8.927 6.226 6.774 1.00 0.85 H new ATOM 0 HB2 GLN A 38 -11.593 7.423 5.933 1.00 0.95 H new ATOM 0 HB3 GLN A 38 -11.427 6.215 7.192 1.00 0.95 H new ATOM 0 HG2 GLN A 38 -10.048 7.708 8.550 1.00 2.14 H new ATOM 0 HG3 GLN A 38 -9.935 8.876 7.248 1.00 2.14 H new ATOM 0 HE21 GLN A 38 -12.720 7.087 8.725 1.00 2.22 H new ATOM 0 HE22 GLN A 38 -13.669 8.548 9.017 1.00 2.22 H new ATOM 579 N ARG A 39 -10.048 4.075 5.918 1.00 0.94 N ATOM 580 CA ARG A 39 -10.531 2.813 5.330 1.00 0.89 C ATOM 581 C ARG A 39 -12.028 2.927 4.998 1.00 0.96 C ATOM 582 O ARG A 39 -12.757 3.632 5.709 1.00 2.44 O ATOM 583 CB ARG A 39 -10.187 1.624 6.245 1.00 1.12 C ATOM 584 CG ARG A 39 -11.005 1.633 7.539 1.00 1.28 C ATOM 585 CD ARG A 39 -10.457 0.706 8.621 1.00 1.59 C ATOM 586 NE ARG A 39 -11.221 0.896 9.867 1.00 1.86 N ATOM 587 CZ ARG A 39 -12.079 0.059 10.419 1.00 2.06 C ATOM 588 NH1 ARG A 39 -12.191 -1.177 10.042 1.00 2.70 N ATOM 589 NH2 ARG A 39 -12.844 0.462 11.387 1.00 2.23 N ATOM 0 H ARG A 39 -9.814 4.007 6.908 1.00 0.94 H new ATOM 0 HA ARG A 39 -10.019 2.621 4.387 1.00 0.89 H new ATOM 0 HB2 ARG A 39 -10.368 0.692 5.710 1.00 1.12 H new ATOM 0 HB3 ARG A 39 -9.125 1.651 6.489 1.00 1.12 H new ATOM 0 HG2 ARG A 39 -11.040 2.650 7.929 1.00 1.28 H new ATOM 0 HG3 ARG A 39 -12.031 1.344 7.311 1.00 1.28 H new ATOM 0 HD2 ARG A 39 -10.526 -0.332 8.295 1.00 1.59 H new ATOM 0 HD3 ARG A 39 -9.401 0.916 8.794 1.00 1.59 H new ATOM 0 HE ARG A 39 -11.069 1.776 10.360 1.00 1.86 H new ATOM 0 HH11 ARG A 39 -11.602 -1.536 9.291 1.00 2.70 H new ATOM 0 HH12 ARG A 39 -12.868 -1.790 10.497 1.00 2.70 H new ATOM 0 HH21 ARG A 39 -12.781 1.424 11.720 1.00 2.23 H new ATOM 0 HH22 ARG A 39 -13.508 -0.183 11.815 1.00 2.23 H new ATOM 603 N GLY A 40 -12.502 2.278 3.936 1.00 1.08 N ATOM 604 CA GLY A 40 -13.869 2.459 3.421 1.00 0.96 C ATOM 605 C GLY A 40 -13.965 3.412 2.215 1.00 0.90 C ATOM 606 O GLY A 40 -15.067 3.673 1.735 1.00 1.08 O ATOM 0 H GLY A 40 -11.950 1.607 3.402 1.00 1.08 H new ATOM 0 HA2 GLY A 40 -14.270 1.487 3.135 1.00 0.96 H new ATOM 0 HA3 GLY A 40 -14.501 2.841 4.223 1.00 0.96 H new ATOM 610 N ASP A 41 -12.843 3.936 1.709 1.00 0.85 N ATOM 611 CA ASP A 41 -12.754 4.759 0.489 1.00 0.92 C ATOM 612 C ASP A 41 -11.981 4.039 -0.645 1.00 0.72 C ATOM 613 O ASP A 41 -11.440 2.944 -0.440 1.00 0.71 O ATOM 614 CB ASP A 41 -12.164 6.132 0.869 1.00 1.13 C ATOM 615 CG ASP A 41 -13.123 6.937 1.759 1.00 1.53 C ATOM 616 OD1 ASP A 41 -14.151 7.432 1.240 1.00 2.37 O ATOM 617 OD2 ASP A 41 -12.901 7.065 2.985 1.00 2.11 O ATOM 0 H ASP A 41 -11.935 3.795 2.152 1.00 0.85 H new ATOM 0 HA ASP A 41 -13.749 4.919 0.074 1.00 0.92 H new ATOM 0 HB2 ASP A 41 -11.217 5.989 1.390 1.00 1.13 H new ATOM 0 HB3 ASP A 41 -11.947 6.698 -0.037 1.00 1.13 H new ATOM 622 N ILE A 42 -11.961 4.628 -1.852 1.00 0.64 N ATOM 623 CA ILE A 42 -11.296 4.097 -3.061 1.00 0.57 C ATOM 624 C ILE A 42 -10.110 4.988 -3.457 1.00 0.50 C ATOM 625 O ILE A 42 -10.284 6.188 -3.696 1.00 0.49 O ATOM 626 CB ILE A 42 -12.289 3.959 -4.235 1.00 0.66 C ATOM 627 CG1 ILE A 42 -13.501 3.061 -3.903 1.00 0.90 C ATOM 628 CG2 ILE A 42 -11.584 3.434 -5.504 1.00 0.70 C ATOM 629 CD1 ILE A 42 -13.186 1.618 -3.492 1.00 1.30 C ATOM 0 H ILE A 42 -12.424 5.521 -2.023 1.00 0.64 H new ATOM 0 HA ILE A 42 -10.920 3.101 -2.826 1.00 0.57 H new ATOM 0 HB ILE A 42 -12.670 4.964 -4.420 1.00 0.66 H new ATOM 0 HG12 ILE A 42 -14.064 3.531 -3.097 1.00 0.90 H new ATOM 0 HG13 ILE A 42 -14.155 3.033 -4.775 1.00 0.90 H new ATOM 0 HG21 ILE A 42 -12.309 3.347 -6.313 1.00 0.70 H new ATOM 0 HG22 ILE A 42 -10.796 4.128 -5.796 1.00 0.70 H new ATOM 0 HG23 ILE A 42 -11.149 2.456 -5.300 1.00 0.70 H new ATOM 0 HD11 ILE A 42 -14.115 1.088 -3.284 1.00 1.30 H new ATOM 0 HD12 ILE A 42 -12.655 1.117 -4.301 1.00 1.30 H new ATOM 0 HD13 ILE A 42 -12.563 1.622 -2.598 1.00 1.30 H new ATOM 641 N ILE A 43 -8.910 4.404 -3.543 1.00 0.51 N ATOM 642 CA ILE A 43 -7.629 5.107 -3.697 1.00 0.56 C ATOM 643 C ILE A 43 -6.918 4.700 -4.997 1.00 0.57 C ATOM 644 O ILE A 43 -6.772 3.513 -5.304 1.00 0.67 O ATOM 645 CB ILE A 43 -6.720 4.802 -2.478 1.00 0.68 C ATOM 646 CG1 ILE A 43 -7.425 4.924 -1.106 1.00 0.78 C ATOM 647 CG2 ILE A 43 -5.448 5.671 -2.490 1.00 0.81 C ATOM 648 CD1 ILE A 43 -8.032 6.297 -0.797 1.00 0.87 C ATOM 0 H ILE A 43 -8.799 3.391 -3.506 1.00 0.51 H new ATOM 0 HA ILE A 43 -7.830 6.177 -3.748 1.00 0.56 H new ATOM 0 HB ILE A 43 -6.450 3.752 -2.594 1.00 0.68 H new ATOM 0 HG12 ILE A 43 -8.217 4.176 -1.056 1.00 0.78 H new ATOM 0 HG13 ILE A 43 -6.706 4.680 -0.324 1.00 0.78 H new ATOM 0 HG21 ILE A 43 -4.835 5.430 -1.622 1.00 0.81 H new ATOM 0 HG22 ILE A 43 -4.881 5.474 -3.400 1.00 0.81 H new ATOM 0 HG23 ILE A 43 -5.727 6.724 -2.457 1.00 0.81 H new ATOM 0 HD11 ILE A 43 -8.501 6.274 0.187 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -7.247 7.053 -0.807 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -8.781 6.542 -1.550 1.00 0.87 H new ATOM 660 N LYS A 44 -6.433 5.690 -5.752 1.00 0.63 N ATOM 661 CA LYS A 44 -5.631 5.514 -6.974 1.00 0.68 C ATOM 662 C LYS A 44 -4.140 5.376 -6.678 1.00 0.78 C ATOM 663 O LYS A 44 -3.602 6.097 -5.833 1.00 1.10 O ATOM 664 CB LYS A 44 -5.856 6.721 -7.903 1.00 0.93 C ATOM 665 CG LYS A 44 -7.297 6.854 -8.412 1.00 2.25 C ATOM 666 CD LYS A 44 -7.729 5.745 -9.379 1.00 2.44 C ATOM 667 CE LYS A 44 -6.936 5.670 -10.691 1.00 1.65 C ATOM 668 NZ LYS A 44 -7.011 6.930 -11.463 1.00 2.07 N ATOM 0 H LYS A 44 -6.592 6.672 -5.524 1.00 0.63 H new ATOM 0 HA LYS A 44 -5.956 4.590 -7.452 1.00 0.68 H new ATOM 0 HB2 LYS A 44 -5.584 7.632 -7.371 1.00 0.93 H new ATOM 0 HB3 LYS A 44 -5.185 6.639 -8.758 1.00 0.93 H new ATOM 0 HG2 LYS A 44 -7.973 6.858 -7.557 1.00 2.25 H new ATOM 0 HG3 LYS A 44 -7.407 7.817 -8.910 1.00 2.25 H new ATOM 0 HD2 LYS A 44 -7.644 4.786 -8.867 1.00 2.44 H new ATOM 0 HD3 LYS A 44 -8.783 5.886 -9.619 1.00 2.44 H new ATOM 0 HE2 LYS A 44 -5.893 5.443 -10.470 1.00 1.65 H new ATOM 0 HE3 LYS A 44 -7.319 4.850 -11.299 1.00 1.65 H new ATOM 0 HZ1 LYS A 44 -6.475 6.827 -12.348 1.00 2.07 H new ATOM 0 HZ2 LYS A 44 -8.005 7.144 -11.683 1.00 2.07 H new ATOM 0 HZ3 LYS A 44 -6.606 7.706 -10.901 1.00 2.07 H new ATOM 682 N VAL A 45 -3.449 4.513 -7.426 1.00 0.59 N ATOM 683 CA VAL A 45 -1.976 4.410 -7.404 1.00 0.58 C ATOM 684 C VAL A 45 -1.368 4.657 -8.791 1.00 0.62 C ATOM 685 O VAL A 45 -1.967 4.306 -9.808 1.00 0.72 O ATOM 686 CB VAL A 45 -1.549 3.062 -6.789 1.00 0.50 C ATOM 687 CG1 VAL A 45 -1.614 1.908 -7.792 1.00 0.52 C ATOM 688 CG2 VAL A 45 -0.130 3.130 -6.210 1.00 0.60 C ATOM 0 H VAL A 45 -3.893 3.859 -8.071 1.00 0.59 H new ATOM 0 HA VAL A 45 -1.578 5.199 -6.766 1.00 0.58 H new ATOM 0 HB VAL A 45 -2.264 2.868 -5.990 1.00 0.50 H new ATOM 0 HG11 VAL A 45 -1.303 0.984 -7.304 1.00 0.52 H new ATOM 0 HG12 VAL A 45 -2.636 1.800 -8.156 1.00 0.52 H new ATOM 0 HG13 VAL A 45 -0.950 2.117 -8.631 1.00 0.52 H new ATOM 0 HG21 VAL A 45 0.136 2.162 -5.785 1.00 0.60 H new ATOM 0 HG22 VAL A 45 0.574 3.385 -7.002 1.00 0.60 H new ATOM 0 HG23 VAL A 45 -0.091 3.891 -5.431 1.00 0.60 H new ATOM 698 N VAL A 46 -0.187 5.278 -8.834 1.00 0.69 N ATOM 699 CA VAL A 46 0.532 5.647 -10.072 1.00 0.75 C ATOM 700 C VAL A 46 1.716 4.717 -10.389 1.00 0.72 C ATOM 701 O VAL A 46 2.277 4.116 -9.466 1.00 0.74 O ATOM 702 CB VAL A 46 1.030 7.110 -10.000 1.00 0.94 C ATOM 703 CG1 VAL A 46 -0.153 8.076 -9.900 1.00 0.97 C ATOM 704 CG2 VAL A 46 1.987 7.370 -8.831 1.00 1.09 C ATOM 0 H VAL A 46 0.316 5.549 -7.989 1.00 0.69 H new ATOM 0 HA VAL A 46 -0.190 5.538 -10.881 1.00 0.75 H new ATOM 0 HB VAL A 46 1.585 7.281 -10.922 1.00 0.94 H new ATOM 0 HG11 VAL A 46 0.217 9.100 -9.850 1.00 0.97 H new ATOM 0 HG12 VAL A 46 -0.791 7.963 -10.777 1.00 0.97 H new ATOM 0 HG13 VAL A 46 -0.729 7.854 -9.002 1.00 0.97 H new ATOM 0 HG21 VAL A 46 2.297 8.415 -8.840 1.00 1.09 H new ATOM 0 HG22 VAL A 46 1.481 7.150 -7.891 1.00 1.09 H new ATOM 0 HG23 VAL A 46 2.864 6.730 -8.930 1.00 1.09 H new ATOM 714 N PRO A 47 2.152 4.622 -11.663 1.00 0.76 N ATOM 715 CA PRO A 47 3.415 3.970 -12.012 1.00 0.80 C ATOM 716 C PRO A 47 4.596 4.667 -11.317 1.00 0.80 C ATOM 717 O PRO A 47 4.626 5.891 -11.186 1.00 0.93 O ATOM 718 CB PRO A 47 3.525 4.065 -13.537 1.00 0.91 C ATOM 719 CG PRO A 47 2.655 5.267 -13.897 1.00 1.27 C ATOM 720 CD PRO A 47 1.539 5.194 -12.858 1.00 0.85 C ATOM 0 HA PRO A 47 3.440 2.931 -11.682 1.00 0.80 H new ATOM 0 HB2 PRO A 47 4.558 4.211 -13.854 1.00 0.91 H new ATOM 0 HB3 PRO A 47 3.168 3.155 -14.020 1.00 0.91 H new ATOM 0 HG2 PRO A 47 3.210 6.203 -13.831 1.00 1.27 H new ATOM 0 HG3 PRO A 47 2.268 5.197 -14.913 1.00 1.27 H new ATOM 0 HD2 PRO A 47 1.129 6.183 -12.653 1.00 0.85 H new ATOM 0 HD3 PRO A 47 0.715 4.574 -13.211 1.00 0.85 H new ATOM 728 N GLY A 48 5.562 3.888 -10.835 1.00 0.77 N ATOM 729 CA GLY A 48 6.685 4.358 -10.018 1.00 0.83 C ATOM 730 C GLY A 48 6.314 4.773 -8.585 1.00 0.84 C ATOM 731 O GLY A 48 7.212 5.103 -7.805 1.00 1.05 O ATOM 0 H GLY A 48 5.588 2.883 -11.006 1.00 0.77 H new ATOM 0 HA2 GLY A 48 7.435 3.569 -9.969 1.00 0.83 H new ATOM 0 HA3 GLY A 48 7.149 5.208 -10.518 1.00 0.83 H new ATOM 735 N GLY A 49 5.024 4.783 -8.230 1.00 0.74 N ATOM 736 CA GLY A 49 4.527 5.094 -6.891 1.00 0.77 C ATOM 737 C GLY A 49 4.632 3.934 -5.896 1.00 0.74 C ATOM 738 O GLY A 49 4.905 2.784 -6.252 1.00 0.99 O ATOM 0 H GLY A 49 4.276 4.568 -8.890 1.00 0.74 H new ATOM 0 HA2 GLY A 49 5.082 5.946 -6.498 1.00 0.77 H new ATOM 0 HA3 GLY A 49 3.484 5.401 -6.965 1.00 0.77 H new ATOM 742 N LYS A 50 4.381 4.259 -4.625 1.00 0.71 N ATOM 743 CA LYS A 50 4.433 3.348 -3.472 1.00 0.71 C ATOM 744 C LYS A 50 3.092 3.337 -2.733 1.00 0.84 C ATOM 745 O LYS A 50 2.353 4.323 -2.742 1.00 1.13 O ATOM 746 CB LYS A 50 5.596 3.777 -2.555 1.00 0.83 C ATOM 747 CG LYS A 50 6.969 3.443 -3.159 1.00 0.93 C ATOM 748 CD LYS A 50 8.095 4.256 -2.506 1.00 1.16 C ATOM 749 CE LYS A 50 9.447 3.821 -3.085 1.00 1.40 C ATOM 750 NZ LYS A 50 10.511 4.799 -2.780 1.00 1.95 N ATOM 0 H LYS A 50 4.124 5.209 -4.356 1.00 0.71 H new ATOM 0 HA LYS A 50 4.613 2.327 -3.808 1.00 0.71 H new ATOM 0 HB2 LYS A 50 5.534 4.850 -2.371 1.00 0.83 H new ATOM 0 HB3 LYS A 50 5.496 3.281 -1.589 1.00 0.83 H new ATOM 0 HG2 LYS A 50 7.171 2.379 -3.035 1.00 0.93 H new ATOM 0 HG3 LYS A 50 6.952 3.642 -4.231 1.00 0.93 H new ATOM 0 HD2 LYS A 50 7.938 5.320 -2.682 1.00 1.16 H new ATOM 0 HD3 LYS A 50 8.086 4.107 -1.426 1.00 1.16 H new ATOM 0 HE2 LYS A 50 9.720 2.847 -2.679 1.00 1.40 H new ATOM 0 HE3 LYS A 50 9.360 3.703 -4.165 1.00 1.40 H new ATOM 0 HZ1 LYS A 50 11.410 4.472 -3.187 1.00 1.95 H new ATOM 0 HZ2 LYS A 50 10.262 5.722 -3.189 1.00 1.95 H new ATOM 0 HZ3 LYS A 50 10.611 4.893 -1.749 1.00 1.95 H new ATOM 764 N PHE A 51 2.767 2.227 -2.074 1.00 0.79 N ATOM 765 CA PHE A 51 1.520 2.103 -1.306 1.00 0.89 C ATOM 766 C PHE A 51 1.645 2.758 0.094 1.00 0.96 C ATOM 767 O PHE A 51 2.577 2.420 0.830 1.00 0.97 O ATOM 768 CB PHE A 51 1.104 0.626 -1.234 1.00 0.88 C ATOM 769 CG PHE A 51 0.728 0.032 -2.582 1.00 0.84 C ATOM 770 CD1 PHE A 51 -0.524 0.321 -3.158 1.00 1.83 C ATOM 771 CD2 PHE A 51 1.637 -0.786 -3.280 1.00 1.61 C ATOM 772 CE1 PHE A 51 -0.853 -0.189 -4.426 1.00 1.90 C ATOM 773 CE2 PHE A 51 1.317 -1.281 -4.558 1.00 1.55 C ATOM 774 CZ PHE A 51 0.070 -0.982 -5.132 1.00 0.87 C ATOM 0 H PHE A 51 3.352 1.392 -2.054 1.00 0.79 H new ATOM 0 HA PHE A 51 0.729 2.650 -1.819 1.00 0.89 H new ATOM 0 HB2 PHE A 51 1.923 0.047 -0.807 1.00 0.88 H new ATOM 0 HB3 PHE A 51 0.257 0.529 -0.555 1.00 0.88 H new ATOM 0 HD1 PHE A 51 -1.233 0.936 -2.624 1.00 1.83 H new ATOM 0 HD2 PHE A 51 2.587 -1.035 -2.831 1.00 1.61 H new ATOM 0 HE1 PHE A 51 -1.818 0.029 -4.860 1.00 1.90 H new ATOM 0 HE2 PHE A 51 2.029 -1.889 -5.096 1.00 1.55 H new ATOM 0 HZ PHE A 51 -0.179 -1.360 -6.113 1.00 0.87 H new ATOM 784 N PRO A 52 0.735 3.667 0.507 1.00 1.02 N ATOM 785 CA PRO A 52 0.760 4.298 1.837 1.00 1.02 C ATOM 786 C PRO A 52 0.041 3.472 2.923 1.00 0.92 C ATOM 787 O PRO A 52 0.295 3.656 4.111 1.00 0.90 O ATOM 788 CB PRO A 52 0.074 5.654 1.627 1.00 1.10 C ATOM 789 CG PRO A 52 -0.958 5.364 0.541 1.00 1.12 C ATOM 790 CD PRO A 52 -0.271 4.311 -0.330 1.00 1.07 C ATOM 0 HA PRO A 52 1.782 4.386 2.206 1.00 1.02 H new ATOM 0 HB2 PRO A 52 -0.396 6.012 2.543 1.00 1.10 H new ATOM 0 HB3 PRO A 52 0.784 6.419 1.313 1.00 1.10 H new ATOM 0 HG2 PRO A 52 -1.891 4.990 0.963 1.00 1.12 H new ATOM 0 HG3 PRO A 52 -1.203 6.260 -0.030 1.00 1.12 H new ATOM 0 HD2 PRO A 52 -0.993 3.582 -0.698 1.00 1.07 H new ATOM 0 HD3 PRO A 52 0.190 4.772 -1.204 1.00 1.07 H new ATOM 798 N VAL A 53 -0.850 2.563 2.513 1.00 0.87 N ATOM 799 CA VAL A 53 -1.672 1.662 3.343 1.00 0.78 C ATOM 800 C VAL A 53 -1.901 0.347 2.578 1.00 0.78 C ATOM 801 O VAL A 53 -1.550 0.266 1.399 1.00 0.89 O ATOM 802 CB VAL A 53 -3.016 2.298 3.755 1.00 0.84 C ATOM 803 CG1 VAL A 53 -2.828 3.512 4.673 1.00 0.92 C ATOM 804 CG2 VAL A 53 -3.877 2.716 2.561 1.00 0.84 C ATOM 0 H VAL A 53 -1.032 2.424 1.519 1.00 0.87 H new ATOM 0 HA VAL A 53 -1.132 1.466 4.269 1.00 0.78 H new ATOM 0 HB VAL A 53 -3.537 1.509 4.297 1.00 0.84 H new ATOM 0 HG11 VAL A 53 -3.802 3.924 4.935 1.00 0.92 H new ATOM 0 HG12 VAL A 53 -2.308 3.205 5.580 1.00 0.92 H new ATOM 0 HG13 VAL A 53 -2.240 4.271 4.157 1.00 0.92 H new ATOM 0 HG21 VAL A 53 -4.808 3.156 2.920 1.00 0.84 H new ATOM 0 HG22 VAL A 53 -3.337 3.449 1.962 1.00 0.84 H new ATOM 0 HG23 VAL A 53 -4.101 1.842 1.950 1.00 0.84 H new ATOM 814 N ASP A 54 -2.458 -0.684 3.221 1.00 0.73 N ATOM 815 CA ASP A 54 -2.777 -1.969 2.574 1.00 0.77 C ATOM 816 C ASP A 54 -4.270 -2.109 2.212 1.00 0.79 C ATOM 817 O ASP A 54 -5.135 -1.494 2.844 1.00 0.89 O ATOM 818 CB ASP A 54 -2.221 -3.142 3.400 1.00 0.81 C ATOM 819 CG ASP A 54 -3.140 -3.673 4.487 1.00 0.82 C ATOM 820 OD1 ASP A 54 -3.989 -4.535 4.164 1.00 1.71 O ATOM 821 OD2 ASP A 54 -2.937 -3.328 5.672 1.00 1.60 O ATOM 0 H ASP A 54 -2.703 -0.654 4.211 1.00 0.73 H new ATOM 0 HA ASP A 54 -2.270 -1.994 1.610 1.00 0.77 H new ATOM 0 HB2 ASP A 54 -1.981 -3.960 2.721 1.00 0.81 H new ATOM 0 HB3 ASP A 54 -1.286 -2.826 3.862 1.00 0.81 H new ATOM 826 N GLY A 55 -4.571 -2.902 1.176 1.00 0.73 N ATOM 827 CA GLY A 55 -5.952 -3.122 0.729 1.00 0.69 C ATOM 828 C GLY A 55 -6.112 -4.055 -0.476 1.00 0.57 C ATOM 829 O GLY A 55 -5.147 -4.648 -0.968 1.00 0.69 O ATOM 0 H GLY A 55 -3.872 -3.405 0.629 1.00 0.73 H new ATOM 0 HA2 GLY A 55 -6.525 -3.530 1.562 1.00 0.69 H new ATOM 0 HA3 GLY A 55 -6.394 -2.157 0.481 1.00 0.69 H new ATOM 833 N ARG A 56 -7.357 -4.173 -0.961 1.00 0.58 N ATOM 834 CA ARG A 56 -7.737 -5.035 -2.097 1.00 0.62 C ATOM 835 C ARG A 56 -7.941 -4.227 -3.386 1.00 0.64 C ATOM 836 O ARG A 56 -8.503 -3.135 -3.371 1.00 0.69 O ATOM 837 CB ARG A 56 -8.937 -5.919 -1.705 1.00 0.78 C ATOM 838 CG ARG A 56 -9.071 -7.166 -2.594 1.00 0.87 C ATOM 839 CD ARG A 56 -10.182 -8.090 -2.090 1.00 1.04 C ATOM 840 NE ARG A 56 -10.260 -9.336 -2.875 1.00 2.52 N ATOM 841 CZ ARG A 56 -9.658 -10.483 -2.618 1.00 4.12 C ATOM 842 NH1 ARG A 56 -8.872 -10.690 -1.602 1.00 4.72 N ATOM 843 NH2 ARG A 56 -9.834 -11.493 -3.412 1.00 5.90 N ATOM 0 H ARG A 56 -8.147 -3.662 -0.568 1.00 0.58 H new ATOM 0 HA ARG A 56 -6.914 -5.711 -2.329 1.00 0.62 H new ATOM 0 HB2 ARG A 56 -8.830 -6.229 -0.665 1.00 0.78 H new ATOM 0 HB3 ARG A 56 -9.853 -5.331 -1.770 1.00 0.78 H new ATOM 0 HG2 ARG A 56 -9.284 -6.863 -3.619 1.00 0.87 H new ATOM 0 HG3 ARG A 56 -8.125 -7.707 -2.611 1.00 0.87 H new ATOM 0 HD2 ARG A 56 -10.005 -8.332 -1.042 1.00 1.04 H new ATOM 0 HD3 ARG A 56 -11.138 -7.569 -2.140 1.00 1.04 H new ATOM 0 HE ARG A 56 -10.845 -9.309 -3.710 1.00 2.52 H new ATOM 0 HH11 ARG A 56 -8.686 -9.937 -0.939 1.00 4.72 H new ATOM 0 HH12 ARG A 56 -8.442 -11.605 -1.468 1.00 4.72 H new ATOM 0 HH21 ARG A 56 -10.435 -11.399 -4.231 1.00 5.90 H new ATOM 0 HH22 ARG A 56 -9.371 -12.381 -3.218 1.00 5.90 H new ATOM 857 N VAL A 57 -7.478 -4.766 -4.507 1.00 0.66 N ATOM 858 CA VAL A 57 -7.430 -4.147 -5.840 1.00 0.65 C ATOM 859 C VAL A 57 -8.602 -4.656 -6.674 1.00 0.62 C ATOM 860 O VAL A 57 -8.831 -5.865 -6.703 1.00 0.67 O ATOM 861 CB VAL A 57 -6.108 -4.506 -6.550 1.00 0.66 C ATOM 862 CG1 VAL A 57 -5.969 -3.737 -7.866 1.00 0.73 C ATOM 863 CG2 VAL A 57 -4.869 -4.218 -5.689 1.00 0.80 C ATOM 0 H VAL A 57 -7.098 -5.713 -4.517 1.00 0.66 H new ATOM 0 HA VAL A 57 -7.491 -3.064 -5.730 1.00 0.65 H new ATOM 0 HB VAL A 57 -6.155 -5.579 -6.737 1.00 0.66 H new ATOM 0 HG11 VAL A 57 -5.029 -4.007 -8.348 1.00 0.73 H new ATOM 0 HG12 VAL A 57 -6.800 -3.990 -8.525 1.00 0.73 H new ATOM 0 HG13 VAL A 57 -5.979 -2.666 -7.664 1.00 0.73 H new ATOM 0 HG21 VAL A 57 -3.970 -4.491 -6.242 1.00 0.80 H new ATOM 0 HG22 VAL A 57 -4.836 -3.157 -5.443 1.00 0.80 H new ATOM 0 HG23 VAL A 57 -4.921 -4.802 -4.770 1.00 0.80 H new ATOM 873 N ILE A 58 -9.327 -3.777 -7.373 1.00 0.57 N ATOM 874 CA ILE A 58 -10.518 -4.162 -8.165 1.00 0.62 C ATOM 875 C ILE A 58 -10.629 -3.439 -9.525 1.00 0.65 C ATOM 876 O ILE A 58 -11.717 -3.349 -10.103 1.00 0.76 O ATOM 877 CB ILE A 58 -11.796 -3.955 -7.305 1.00 0.63 C ATOM 878 CG1 ILE A 58 -11.763 -2.577 -6.607 1.00 0.61 C ATOM 879 CG2 ILE A 58 -11.957 -5.090 -6.277 1.00 0.71 C ATOM 880 CD1 ILE A 58 -13.125 -2.117 -6.079 1.00 0.73 C ATOM 0 H ILE A 58 -9.113 -2.780 -7.411 1.00 0.57 H new ATOM 0 HA ILE A 58 -10.408 -5.216 -8.419 1.00 0.62 H new ATOM 0 HB ILE A 58 -12.661 -3.980 -7.968 1.00 0.63 H new ATOM 0 HG12 ILE A 58 -11.057 -2.618 -5.777 1.00 0.61 H new ATOM 0 HG13 ILE A 58 -11.387 -1.834 -7.310 1.00 0.61 H new ATOM 0 HG21 ILE A 58 -12.858 -4.922 -5.688 1.00 0.71 H new ATOM 0 HG22 ILE A 58 -12.037 -6.044 -6.798 1.00 0.71 H new ATOM 0 HG23 ILE A 58 -11.090 -5.108 -5.617 1.00 0.71 H new ATOM 0 HD11 ILE A 58 -13.020 -1.142 -5.603 1.00 0.73 H new ATOM 0 HD12 ILE A 58 -13.830 -2.042 -6.907 1.00 0.73 H new ATOM 0 HD13 ILE A 58 -13.496 -2.839 -5.351 1.00 0.73 H new ATOM 892 N GLU A 59 -9.491 -3.052 -10.109 1.00 0.63 N ATOM 893 CA GLU A 59 -9.343 -2.611 -11.506 1.00 0.72 C ATOM 894 C GLU A 59 -7.854 -2.496 -11.869 1.00 0.67 C ATOM 895 O GLU A 59 -7.038 -2.143 -11.012 1.00 0.72 O ATOM 896 CB GLU A 59 -10.038 -1.258 -11.777 1.00 0.87 C ATOM 897 CG GLU A 59 -11.034 -1.298 -12.951 1.00 1.52 C ATOM 898 CD GLU A 59 -10.373 -1.619 -14.299 1.00 2.05 C ATOM 899 OE1 GLU A 59 -10.159 -2.820 -14.598 1.00 3.27 O ATOM 900 OE2 GLU A 59 -10.041 -0.685 -15.070 1.00 2.74 O ATOM 0 H GLU A 59 -8.606 -3.036 -9.601 1.00 0.63 H new ATOM 0 HA GLU A 59 -9.827 -3.364 -12.128 1.00 0.72 H new ATOM 0 HB2 GLU A 59 -10.564 -0.943 -10.876 1.00 0.87 H new ATOM 0 HB3 GLU A 59 -9.278 -0.504 -11.982 1.00 0.87 H new ATOM 0 HG2 GLU A 59 -11.800 -2.045 -12.743 1.00 1.52 H new ATOM 0 HG3 GLU A 59 -11.539 -0.335 -13.022 1.00 1.52 H new ATOM 907 N GLY A 60 -7.524 -2.714 -13.143 1.00 0.61 N ATOM 908 CA GLY A 60 -6.204 -2.445 -13.721 1.00 0.63 C ATOM 909 C GLY A 60 -5.238 -3.637 -13.732 1.00 0.63 C ATOM 910 O GLY A 60 -5.596 -4.781 -13.441 1.00 0.82 O ATOM 0 H GLY A 60 -8.185 -3.093 -13.821 1.00 0.61 H new ATOM 0 HA2 GLY A 60 -6.338 -2.098 -14.745 1.00 0.63 H new ATOM 0 HA3 GLY A 60 -5.742 -1.629 -13.166 1.00 0.63 H new ATOM 914 N HIS A 61 -4.001 -3.358 -14.140 1.00 0.63 N ATOM 915 CA HIS A 61 -2.929 -4.341 -14.319 1.00 0.72 C ATOM 916 C HIS A 61 -1.552 -3.699 -14.096 1.00 0.76 C ATOM 917 O HIS A 61 -1.188 -2.700 -14.717 1.00 1.23 O ATOM 918 CB HIS A 61 -3.038 -5.016 -15.701 1.00 0.99 C ATOM 919 CG HIS A 61 -3.270 -4.074 -16.857 1.00 1.29 C ATOM 920 ND1 HIS A 61 -2.315 -3.579 -17.713 1.00 2.38 N ATOM 921 CD2 HIS A 61 -4.473 -3.551 -17.252 1.00 2.52 C ATOM 922 CE1 HIS A 61 -2.923 -2.760 -18.587 1.00 2.27 C ATOM 923 NE2 HIS A 61 -4.246 -2.700 -18.343 1.00 2.52 N ATOM 0 H HIS A 61 -3.705 -2.408 -14.363 1.00 0.63 H new ATOM 0 HA HIS A 61 -3.042 -5.121 -13.566 1.00 0.72 H new ATOM 0 HB2 HIS A 61 -2.122 -5.577 -15.888 1.00 0.99 H new ATOM 0 HB3 HIS A 61 -3.854 -5.739 -15.672 1.00 0.99 H new ATOM 0 HD2 HIS A 61 -5.432 -3.759 -16.800 1.00 2.52 H new ATOM 0 HE1 HIS A 61 -2.420 -2.223 -19.377 1.00 2.27 H new ATOM 0 HE2 HIS A 61 -4.940 -2.149 -18.848 1.00 2.52 H new ATOM 931 N SER A 62 -0.794 -4.226 -13.132 1.00 0.56 N ATOM 932 CA SER A 62 0.601 -3.829 -12.899 1.00 0.55 C ATOM 933 C SER A 62 1.469 -4.974 -12.381 1.00 0.59 C ATOM 934 O SER A 62 0.971 -5.886 -11.717 1.00 0.64 O ATOM 935 CB SER A 62 0.663 -2.603 -11.979 1.00 0.58 C ATOM 936 OG SER A 62 0.347 -1.455 -12.744 1.00 1.41 O ATOM 0 H SER A 62 -1.129 -4.942 -12.488 1.00 0.56 H new ATOM 0 HA SER A 62 1.023 -3.555 -13.866 1.00 0.55 H new ATOM 0 HB2 SER A 62 -0.039 -2.713 -11.152 1.00 0.58 H new ATOM 0 HB3 SER A 62 1.657 -2.506 -11.542 1.00 0.58 H new ATOM 0 HG SER A 62 -0.126 -1.725 -13.559 1.00 1.41 H new ATOM 942 N MET A 63 2.780 -4.877 -12.623 1.00 0.74 N ATOM 943 CA MET A 63 3.800 -5.745 -12.034 1.00 0.84 C ATOM 944 C MET A 63 4.491 -4.979 -10.894 1.00 0.91 C ATOM 945 O MET A 63 5.044 -3.893 -11.092 1.00 1.09 O ATOM 946 CB MET A 63 4.739 -6.253 -13.132 1.00 0.95 C ATOM 947 CG MET A 63 5.772 -7.233 -12.572 1.00 1.06 C ATOM 948 SD MET A 63 6.302 -8.540 -13.712 1.00 1.15 S ATOM 949 CE MET A 63 4.938 -9.716 -13.479 1.00 0.88 C ATOM 0 H MET A 63 3.170 -4.174 -13.251 1.00 0.74 H new ATOM 0 HA MET A 63 3.369 -6.641 -11.588 1.00 0.84 H new ATOM 0 HB2 MET A 63 4.157 -6.742 -13.913 1.00 0.95 H new ATOM 0 HB3 MET A 63 5.250 -5.409 -13.596 1.00 0.95 H new ATOM 0 HG2 MET A 63 6.651 -6.669 -12.259 1.00 1.06 H new ATOM 0 HG3 MET A 63 5.358 -7.700 -11.678 1.00 1.06 H new ATOM 0 HE1 MET A 63 5.100 -10.590 -14.110 1.00 0.88 H new ATOM 0 HE2 MET A 63 4.898 -10.025 -12.434 1.00 0.88 H new ATOM 0 HE3 MET A 63 3.996 -9.240 -13.753 1.00 0.88 H new ATOM 959 N VAL A 64 4.415 -5.553 -9.696 1.00 0.82 N ATOM 960 CA VAL A 64 4.710 -4.921 -8.403 1.00 0.82 C ATOM 961 C VAL A 64 5.866 -5.601 -7.658 1.00 0.76 C ATOM 962 O VAL A 64 6.040 -6.815 -7.737 1.00 0.86 O ATOM 963 CB VAL A 64 3.390 -4.927 -7.597 1.00 0.92 C ATOM 964 CG1 VAL A 64 3.512 -4.495 -6.141 1.00 0.87 C ATOM 965 CG2 VAL A 64 2.354 -3.997 -8.257 1.00 1.00 C ATOM 0 H VAL A 64 4.130 -6.527 -9.590 1.00 0.82 H new ATOM 0 HA VAL A 64 5.060 -3.899 -8.550 1.00 0.82 H new ATOM 0 HB VAL A 64 3.083 -5.973 -7.604 1.00 0.92 H new ATOM 0 HG11 VAL A 64 2.532 -4.534 -5.666 1.00 0.87 H new ATOM 0 HG12 VAL A 64 4.195 -5.165 -5.619 1.00 0.87 H new ATOM 0 HG13 VAL A 64 3.897 -3.476 -6.095 1.00 0.87 H new ATOM 0 HG21 VAL A 64 1.431 -4.012 -7.678 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.746 -2.980 -8.289 1.00 1.00 H new ATOM 0 HG23 VAL A 64 2.152 -4.340 -9.272 1.00 1.00 H new ATOM 975 N ASP A 65 6.648 -4.813 -6.919 1.00 0.65 N ATOM 976 CA ASP A 65 7.826 -5.231 -6.150 1.00 0.65 C ATOM 977 C ASP A 65 7.528 -5.189 -4.639 1.00 0.68 C ATOM 978 O ASP A 65 7.245 -4.130 -4.069 1.00 0.83 O ATOM 979 CB ASP A 65 8.996 -4.315 -6.555 1.00 0.73 C ATOM 980 CG ASP A 65 10.314 -4.573 -5.815 1.00 0.75 C ATOM 981 OD1 ASP A 65 10.638 -5.743 -5.511 1.00 1.74 O ATOM 982 OD2 ASP A 65 11.072 -3.599 -5.588 1.00 2.01 O ATOM 0 H ASP A 65 6.469 -3.812 -6.835 1.00 0.65 H new ATOM 0 HA ASP A 65 8.095 -6.264 -6.371 1.00 0.65 H new ATOM 0 HB2 ASP A 65 9.171 -4.427 -7.625 1.00 0.73 H new ATOM 0 HB3 ASP A 65 8.700 -3.279 -6.387 1.00 0.73 H new ATOM 987 N GLU A 66 7.557 -6.350 -3.984 1.00 0.64 N ATOM 988 CA GLU A 66 7.316 -6.528 -2.535 1.00 0.70 C ATOM 989 C GLU A 66 8.457 -7.306 -1.843 1.00 0.70 C ATOM 990 O GLU A 66 8.274 -7.940 -0.799 1.00 0.76 O ATOM 991 CB GLU A 66 5.886 -7.060 -2.254 1.00 0.90 C ATOM 992 CG GLU A 66 5.357 -8.116 -3.236 1.00 0.84 C ATOM 993 CD GLU A 66 3.979 -8.660 -2.829 1.00 0.82 C ATOM 994 OE1 GLU A 66 2.959 -7.975 -3.098 1.00 1.74 O ATOM 995 OE2 GLU A 66 3.893 -9.780 -2.260 1.00 1.56 O ATOM 0 H GLU A 66 7.756 -7.231 -4.458 1.00 0.64 H new ATOM 0 HA GLU A 66 7.343 -5.546 -2.062 1.00 0.70 H new ATOM 0 HB2 GLU A 66 5.868 -7.484 -1.250 1.00 0.90 H new ATOM 0 HB3 GLU A 66 5.198 -6.214 -2.255 1.00 0.90 H new ATOM 0 HG2 GLU A 66 5.292 -7.680 -4.233 1.00 0.84 H new ATOM 0 HG3 GLU A 66 6.067 -8.941 -3.295 1.00 0.84 H new ATOM 1002 N SER A 67 9.660 -7.229 -2.423 1.00 0.77 N ATOM 1003 CA SER A 67 10.847 -8.001 -2.034 1.00 0.91 C ATOM 1004 C SER A 67 11.276 -7.880 -0.570 1.00 0.88 C ATOM 1005 O SER A 67 11.802 -8.853 -0.030 1.00 1.01 O ATOM 1006 CB SER A 67 12.027 -7.631 -2.936 1.00 1.08 C ATOM 1007 OG SER A 67 12.415 -6.279 -2.737 1.00 1.43 O ATOM 0 H SER A 67 9.841 -6.603 -3.207 1.00 0.77 H new ATOM 0 HA SER A 67 10.548 -9.042 -2.160 1.00 0.91 H new ATOM 0 HB2 SER A 67 12.870 -8.290 -2.727 1.00 1.08 H new ATOM 0 HB3 SER A 67 11.754 -7.785 -3.980 1.00 1.08 H new ATOM 0 HG SER A 67 13.171 -6.066 -3.323 1.00 1.43 H new ATOM 1013 N LEU A 68 11.051 -6.741 0.092 1.00 0.89 N ATOM 1014 CA LEU A 68 11.362 -6.542 1.516 1.00 0.94 C ATOM 1015 C LEU A 68 10.178 -6.953 2.406 1.00 0.95 C ATOM 1016 O LEU A 68 10.378 -7.576 3.453 1.00 1.03 O ATOM 1017 CB LEU A 68 11.797 -5.070 1.700 1.00 1.00 C ATOM 1018 CG LEU A 68 12.381 -4.615 3.057 1.00 1.06 C ATOM 1019 CD1 LEU A 68 11.336 -4.410 4.156 1.00 1.10 C ATOM 1020 CD2 LEU A 68 13.472 -5.548 3.584 1.00 1.02 C ATOM 0 H LEU A 68 10.642 -5.918 -0.350 1.00 0.89 H new ATOM 0 HA LEU A 68 12.183 -7.186 1.832 1.00 0.94 H new ATOM 0 HB2 LEU A 68 12.541 -4.851 0.934 1.00 1.00 H new ATOM 0 HB3 LEU A 68 10.930 -4.444 1.491 1.00 1.00 H new ATOM 0 HG LEU A 68 12.818 -3.644 2.824 1.00 1.06 H new ATOM 0 HD11 LEU A 68 11.831 -4.092 5.074 1.00 1.10 H new ATOM 0 HD12 LEU A 68 10.624 -3.646 3.843 1.00 1.10 H new ATOM 0 HD13 LEU A 68 10.808 -5.346 4.335 1.00 1.10 H new ATOM 0 HD21 LEU A 68 13.841 -5.174 4.539 1.00 1.02 H new ATOM 0 HD22 LEU A 68 13.061 -6.548 3.721 1.00 1.02 H new ATOM 0 HD23 LEU A 68 14.293 -5.588 2.868 1.00 1.02 H new ATOM 1032 N ILE A 69 8.950 -6.641 1.973 1.00 0.92 N ATOM 1033 CA ILE A 69 7.715 -6.827 2.750 1.00 0.95 C ATOM 1034 C ILE A 69 7.369 -8.315 2.901 1.00 0.96 C ATOM 1035 O ILE A 69 7.349 -8.839 4.016 1.00 1.04 O ATOM 1036 CB ILE A 69 6.530 -6.043 2.127 1.00 1.00 C ATOM 1037 CG1 ILE A 69 6.827 -4.562 1.785 1.00 1.04 C ATOM 1038 CG2 ILE A 69 5.312 -6.149 3.062 1.00 1.05 C ATOM 1039 CD1 ILE A 69 7.007 -3.632 2.988 1.00 1.00 C ATOM 0 H ILE A 69 8.782 -6.242 1.049 1.00 0.92 H new ATOM 0 HA ILE A 69 7.894 -6.423 3.746 1.00 0.95 H new ATOM 0 HB ILE A 69 6.329 -6.510 1.163 1.00 1.00 H new ATOM 0 HG12 ILE A 69 7.731 -4.522 1.178 1.00 1.04 H new ATOM 0 HG13 ILE A 69 6.013 -4.179 1.170 1.00 1.04 H new ATOM 0 HG21 ILE A 69 4.474 -5.600 2.632 1.00 1.05 H new ATOM 0 HG22 ILE A 69 5.036 -7.197 3.183 1.00 1.05 H new ATOM 0 HG23 ILE A 69 5.562 -5.725 4.035 1.00 1.05 H new ATOM 0 HD11 ILE A 69 7.211 -2.620 2.638 1.00 1.00 H new ATOM 0 HD12 ILE A 69 6.097 -3.633 3.588 1.00 1.00 H new ATOM 0 HD13 ILE A 69 7.842 -3.981 3.596 1.00 1.00 H new ATOM 1051 N THR A 70 7.108 -9.010 1.791 1.00 0.95 N ATOM 1052 CA THR A 70 6.676 -10.424 1.769 1.00 1.01 C ATOM 1053 C THR A 70 7.828 -11.396 1.500 1.00 1.07 C ATOM 1054 O THR A 70 7.660 -12.615 1.618 1.00 1.19 O ATOM 1055 CB THR A 70 5.540 -10.620 0.753 1.00 0.99 C ATOM 1056 OG1 THR A 70 5.963 -10.203 -0.524 1.00 1.15 O ATOM 1057 CG2 THR A 70 4.321 -9.779 1.133 1.00 1.25 C ATOM 0 H THR A 70 7.191 -8.604 0.859 1.00 0.95 H new ATOM 0 HA THR A 70 6.305 -10.659 2.767 1.00 1.01 H new ATOM 0 HB THR A 70 5.277 -11.678 0.750 1.00 0.99 H new ATOM 0 HG1 THR A 70 5.181 -10.069 -1.100 1.00 1.15 H new ATOM 0 HG21 THR A 70 3.529 -9.934 0.400 1.00 1.25 H new ATOM 0 HG22 THR A 70 3.966 -10.078 2.119 1.00 1.25 H new ATOM 0 HG23 THR A 70 4.598 -8.725 1.151 1.00 1.25 H new ATOM 1065 N GLY A 71 9.008 -10.857 1.172 1.00 1.03 N ATOM 1066 CA GLY A 71 10.227 -11.619 0.892 1.00 1.13 C ATOM 1067 C GLY A 71 10.306 -12.128 -0.549 1.00 1.19 C ATOM 1068 O GLY A 71 11.043 -13.074 -0.827 1.00 1.43 O ATOM 0 H GLY A 71 9.143 -9.849 1.092 1.00 1.03 H new ATOM 0 HA2 GLY A 71 11.094 -10.991 1.096 1.00 1.13 H new ATOM 0 HA3 GLY A 71 10.281 -12.468 1.573 1.00 1.13 H new ATOM 1072 N GLU A 72 9.515 -11.565 -1.463 1.00 1.17 N ATOM 1073 CA GLU A 72 9.430 -11.997 -2.863 1.00 1.31 C ATOM 1074 C GLU A 72 10.553 -11.401 -3.720 1.00 1.54 C ATOM 1075 O GLU A 72 10.427 -10.295 -4.244 1.00 3.06 O ATOM 1076 CB GLU A 72 8.054 -11.629 -3.437 1.00 1.31 C ATOM 1077 CG GLU A 72 6.928 -12.532 -2.927 1.00 1.08 C ATOM 1078 CD GLU A 72 7.028 -13.987 -3.404 1.00 1.35 C ATOM 1079 OE1 GLU A 72 7.864 -14.325 -4.279 1.00 2.42 O ATOM 1080 OE2 GLU A 72 6.276 -14.845 -2.883 1.00 2.08 O ATOM 0 H GLU A 72 8.901 -10.779 -1.248 1.00 1.17 H new ATOM 0 HA GLU A 72 9.554 -13.080 -2.888 1.00 1.31 H new ATOM 0 HB2 GLU A 72 7.826 -10.594 -3.181 1.00 1.31 H new ATOM 0 HB3 GLU A 72 8.094 -11.687 -4.525 1.00 1.31 H new ATOM 0 HG2 GLU A 72 6.930 -12.517 -1.837 1.00 1.08 H new ATOM 0 HG3 GLU A 72 5.972 -12.120 -3.250 1.00 1.08 H new ATOM 1087 N ALA A 73 11.634 -12.153 -3.934 1.00 1.12 N ATOM 1088 CA ALA A 73 12.769 -11.749 -4.772 1.00 1.20 C ATOM 1089 C ALA A 73 12.489 -11.865 -6.293 1.00 1.14 C ATOM 1090 O ALA A 73 13.410 -11.953 -7.112 1.00 1.48 O ATOM 1091 CB ALA A 73 13.992 -12.547 -4.312 1.00 1.48 C ATOM 0 H ALA A 73 11.749 -13.079 -3.522 1.00 1.12 H new ATOM 0 HA ALA A 73 12.959 -10.684 -4.638 1.00 1.20 H new ATOM 0 HB1 ALA A 73 14.856 -12.270 -4.916 1.00 1.48 H new ATOM 0 HB2 ALA A 73 14.197 -12.327 -3.264 1.00 1.48 H new ATOM 0 HB3 ALA A 73 13.795 -13.613 -4.428 1.00 1.48 H new ATOM 1097 N MET A 74 11.209 -11.896 -6.669 1.00 1.01 N ATOM 1098 CA MET A 74 10.665 -12.019 -8.010 1.00 1.07 C ATOM 1099 C MET A 74 9.351 -11.205 -8.052 1.00 0.98 C ATOM 1100 O MET A 74 8.545 -11.324 -7.118 1.00 0.98 O ATOM 1101 CB MET A 74 10.431 -13.513 -8.274 1.00 1.19 C ATOM 1102 CG MET A 74 10.026 -13.778 -9.715 1.00 2.19 C ATOM 1103 SD MET A 74 9.898 -15.542 -10.114 1.00 2.65 S ATOM 1104 CE MET A 74 9.563 -15.430 -11.892 1.00 4.21 C ATOM 0 H MET A 74 10.465 -11.829 -5.975 1.00 1.01 H new ATOM 0 HA MET A 74 11.333 -11.634 -8.781 1.00 1.07 H new ATOM 0 HB2 MET A 74 11.340 -14.069 -8.044 1.00 1.19 H new ATOM 0 HB3 MET A 74 9.654 -13.882 -7.605 1.00 1.19 H new ATOM 0 HG2 MET A 74 9.066 -13.299 -9.909 1.00 2.19 H new ATOM 0 HG3 MET A 74 10.754 -13.314 -10.380 1.00 2.19 H new ATOM 0 HE1 MET A 74 9.455 -16.433 -12.306 1.00 4.21 H new ATOM 0 HE2 MET A 74 8.643 -14.869 -12.054 1.00 4.21 H new ATOM 0 HE3 MET A 74 10.390 -14.921 -12.387 1.00 4.21 H new ATOM 1114 N PRO A 75 9.122 -10.355 -9.069 1.00 1.03 N ATOM 1115 CA PRO A 75 8.010 -9.406 -9.080 1.00 0.95 C ATOM 1116 C PRO A 75 6.646 -10.096 -9.229 1.00 0.82 C ATOM 1117 O PRO A 75 6.532 -11.189 -9.790 1.00 0.87 O ATOM 1118 CB PRO A 75 8.323 -8.425 -10.209 1.00 1.14 C ATOM 1119 CG PRO A 75 9.122 -9.277 -11.191 1.00 1.90 C ATOM 1120 CD PRO A 75 9.938 -10.172 -10.259 1.00 1.41 C ATOM 0 HA PRO A 75 7.921 -8.882 -8.129 1.00 0.95 H new ATOM 0 HB2 PRO A 75 7.415 -8.030 -10.664 1.00 1.14 H new ATOM 0 HB3 PRO A 75 8.899 -7.571 -9.854 1.00 1.14 H new ATOM 0 HG2 PRO A 75 8.473 -9.858 -11.847 1.00 1.90 H new ATOM 0 HG3 PRO A 75 9.760 -8.668 -11.832 1.00 1.90 H new ATOM 0 HD2 PRO A 75 10.160 -11.129 -10.731 1.00 1.41 H new ATOM 0 HD3 PRO A 75 10.893 -9.710 -10.011 1.00 1.41 H new ATOM 1128 N VAL A 76 5.608 -9.437 -8.718 1.00 0.74 N ATOM 1129 CA VAL A 76 4.256 -9.980 -8.512 1.00 0.69 C ATOM 1130 C VAL A 76 3.247 -9.320 -9.449 1.00 0.68 C ATOM 1131 O VAL A 76 3.197 -8.094 -9.540 1.00 0.79 O ATOM 1132 CB VAL A 76 3.847 -9.772 -7.035 1.00 0.86 C ATOM 1133 CG1 VAL A 76 2.512 -10.443 -6.709 1.00 0.98 C ATOM 1134 CG2 VAL A 76 4.892 -10.347 -6.068 1.00 0.94 C ATOM 0 H VAL A 76 5.684 -8.464 -8.421 1.00 0.74 H new ATOM 0 HA VAL A 76 4.263 -11.046 -8.741 1.00 0.69 H new ATOM 0 HB VAL A 76 3.765 -8.693 -6.907 1.00 0.86 H new ATOM 0 HG11 VAL A 76 2.265 -10.271 -5.661 1.00 0.98 H new ATOM 0 HG12 VAL A 76 1.730 -10.022 -7.341 1.00 0.98 H new ATOM 0 HG13 VAL A 76 2.589 -11.515 -6.892 1.00 0.98 H new ATOM 0 HG21 VAL A 76 4.568 -10.181 -5.041 1.00 0.94 H new ATOM 0 HG22 VAL A 76 5.002 -11.417 -6.245 1.00 0.94 H new ATOM 0 HG23 VAL A 76 5.849 -9.852 -6.231 1.00 0.94 H new ATOM 1144 N ALA A 77 2.404 -10.103 -10.125 1.00 0.65 N ATOM 1145 CA ALA A 77 1.319 -9.574 -10.954 1.00 0.65 C ATOM 1146 C ALA A 77 0.076 -9.240 -10.107 1.00 0.59 C ATOM 1147 O ALA A 77 -0.306 -10.015 -9.226 1.00 0.66 O ATOM 1148 CB ALA A 77 1.007 -10.585 -12.065 1.00 0.78 C ATOM 0 H ALA A 77 2.454 -11.122 -10.113 1.00 0.65 H new ATOM 0 HA ALA A 77 1.633 -8.636 -11.411 1.00 0.65 H new ATOM 0 HB1 ALA A 77 0.200 -10.202 -12.689 1.00 0.78 H new ATOM 0 HB2 ALA A 77 1.896 -10.740 -12.676 1.00 0.78 H new ATOM 0 HB3 ALA A 77 0.703 -11.532 -11.620 1.00 0.78 H new ATOM 1154 N LYS A 78 -0.561 -8.094 -10.387 1.00 0.56 N ATOM 1155 CA LYS A 78 -1.808 -7.630 -9.745 1.00 0.57 C ATOM 1156 C LYS A 78 -2.907 -7.383 -10.793 1.00 0.66 C ATOM 1157 O LYS A 78 -2.609 -6.980 -11.922 1.00 0.76 O ATOM 1158 CB LYS A 78 -1.537 -6.368 -8.901 1.00 0.56 C ATOM 1159 CG LYS A 78 -0.377 -6.455 -7.885 1.00 0.54 C ATOM 1160 CD LYS A 78 -0.588 -7.429 -6.712 1.00 0.58 C ATOM 1161 CE LYS A 78 0.654 -7.405 -5.802 1.00 0.66 C ATOM 1162 NZ LYS A 78 0.472 -8.210 -4.572 1.00 0.80 N ATOM 0 H LYS A 78 -0.214 -7.440 -11.089 1.00 0.56 H new ATOM 0 HA LYS A 78 -2.167 -8.412 -9.076 1.00 0.57 H new ATOM 0 HB2 LYS A 78 -1.334 -5.540 -9.580 1.00 0.56 H new ATOM 0 HB3 LYS A 78 -2.448 -6.119 -8.358 1.00 0.56 H new ATOM 0 HG2 LYS A 78 0.527 -6.748 -8.418 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -0.199 -5.459 -7.479 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -1.475 -7.146 -6.144 1.00 0.58 H new ATOM 0 HD3 LYS A 78 -0.758 -8.438 -7.088 1.00 0.58 H new ATOM 0 HE2 LYS A 78 1.513 -7.783 -6.356 1.00 0.66 H new ATOM 0 HE3 LYS A 78 0.880 -6.374 -5.528 1.00 0.66 H new ATOM 0 HZ1 LYS A 78 1.277 -8.054 -3.933 1.00 0.80 H new ATOM 0 HZ2 LYS A 78 -0.408 -7.924 -4.097 1.00 0.80 H new ATOM 0 HZ3 LYS A 78 0.419 -9.218 -4.822 1.00 0.80 H new ATOM 1176 N LYS A 79 -4.169 -7.625 -10.429 1.00 0.66 N ATOM 1177 CA LYS A 79 -5.357 -7.646 -11.308 1.00 0.67 C ATOM 1178 C LYS A 79 -6.632 -7.226 -10.542 1.00 0.64 C ATOM 1179 O LYS A 79 -6.571 -7.096 -9.317 1.00 0.66 O ATOM 1180 CB LYS A 79 -5.495 -9.070 -11.898 1.00 0.79 C ATOM 1181 CG LYS A 79 -5.491 -10.209 -10.866 1.00 2.07 C ATOM 1182 CD LYS A 79 -5.664 -11.601 -11.475 1.00 2.24 C ATOM 1183 CE LYS A 79 -7.012 -11.783 -12.171 1.00 2.41 C ATOM 1184 NZ LYS A 79 -7.268 -13.211 -12.451 1.00 2.86 N ATOM 0 H LYS A 79 -4.410 -7.824 -9.458 1.00 0.66 H new ATOM 0 HA LYS A 79 -5.231 -6.924 -12.115 1.00 0.67 H new ATOM 0 HB2 LYS A 79 -6.422 -9.121 -12.468 1.00 0.79 H new ATOM 0 HB3 LYS A 79 -4.679 -9.235 -12.601 1.00 0.79 H new ATOM 0 HG2 LYS A 79 -4.553 -10.180 -10.312 1.00 2.07 H new ATOM 0 HG3 LYS A 79 -6.291 -10.036 -10.147 1.00 2.07 H new ATOM 0 HD2 LYS A 79 -4.863 -11.780 -12.193 1.00 2.24 H new ATOM 0 HD3 LYS A 79 -5.562 -12.351 -10.690 1.00 2.24 H new ATOM 0 HE2 LYS A 79 -7.808 -11.382 -11.543 1.00 2.41 H new ATOM 0 HE3 LYS A 79 -7.025 -11.217 -13.102 1.00 2.41 H new ATOM 0 HZ1 LYS A 79 -8.189 -13.312 -12.924 1.00 2.86 H new ATOM 0 HZ2 LYS A 79 -6.519 -13.583 -13.069 1.00 2.86 H new ATOM 0 HZ3 LYS A 79 -7.277 -13.744 -11.558 1.00 2.86 H new ATOM 1198 N PRO A 80 -7.794 -7.003 -11.197 1.00 0.64 N ATOM 1199 CA PRO A 80 -9.069 -6.873 -10.491 1.00 0.67 C ATOM 1200 C PRO A 80 -9.349 -8.155 -9.690 1.00 0.67 C ATOM 1201 O PRO A 80 -9.464 -9.244 -10.260 1.00 0.87 O ATOM 1202 CB PRO A 80 -10.132 -6.614 -11.568 1.00 0.73 C ATOM 1203 CG PRO A 80 -9.491 -7.149 -12.849 1.00 0.74 C ATOM 1204 CD PRO A 80 -8.015 -6.838 -12.627 1.00 0.68 C ATOM 0 HA PRO A 80 -9.066 -6.054 -9.771 1.00 0.67 H new ATOM 0 HB2 PRO A 80 -11.065 -7.130 -11.342 1.00 0.73 H new ATOM 0 HB3 PRO A 80 -10.367 -5.553 -11.651 1.00 0.73 H new ATOM 0 HG2 PRO A 80 -9.667 -8.217 -12.977 1.00 0.74 H new ATOM 0 HG3 PRO A 80 -9.882 -6.653 -13.737 1.00 0.74 H new ATOM 0 HD2 PRO A 80 -7.381 -7.512 -13.203 1.00 0.68 H new ATOM 0 HD3 PRO A 80 -7.775 -5.824 -12.947 1.00 0.68 H new ATOM 1212 N GLY A 81 -9.455 -8.008 -8.368 1.00 0.60 N ATOM 1213 CA GLY A 81 -9.497 -9.096 -7.393 1.00 0.63 C ATOM 1214 C GLY A 81 -8.110 -9.557 -6.923 1.00 0.60 C ATOM 1215 O GLY A 81 -7.859 -10.764 -6.911 1.00 0.88 O ATOM 0 H GLY A 81 -9.516 -7.089 -7.931 1.00 0.60 H new ATOM 0 HA2 GLY A 81 -10.076 -8.774 -6.527 1.00 0.63 H new ATOM 0 HA3 GLY A 81 -10.023 -9.944 -7.831 1.00 0.63 H new ATOM 1219 N SER A 82 -7.217 -8.633 -6.536 1.00 0.54 N ATOM 1220 CA SER A 82 -5.894 -8.946 -5.931 1.00 0.50 C ATOM 1221 C SER A 82 -5.668 -8.231 -4.594 1.00 0.50 C ATOM 1222 O SER A 82 -6.380 -7.278 -4.293 1.00 0.65 O ATOM 1223 CB SER A 82 -4.727 -8.550 -6.845 1.00 0.53 C ATOM 1224 OG SER A 82 -4.693 -9.293 -8.037 1.00 1.44 O ATOM 0 H SER A 82 -7.387 -7.632 -6.632 1.00 0.54 H new ATOM 0 HA SER A 82 -5.916 -10.025 -5.781 1.00 0.50 H new ATOM 0 HB2 SER A 82 -4.803 -7.490 -7.085 1.00 0.53 H new ATOM 0 HB3 SER A 82 -3.788 -8.689 -6.309 1.00 0.53 H new ATOM 0 HG SER A 82 -3.791 -9.651 -8.174 1.00 1.44 H new ATOM 1230 N THR A 83 -4.657 -8.617 -3.809 1.00 0.49 N ATOM 1231 CA THR A 83 -4.273 -7.922 -2.558 1.00 0.51 C ATOM 1232 C THR A 83 -2.918 -7.204 -2.666 1.00 0.48 C ATOM 1233 O THR A 83 -2.036 -7.632 -3.415 1.00 0.52 O ATOM 1234 CB THR A 83 -4.319 -8.864 -1.340 1.00 0.67 C ATOM 1235 OG1 THR A 83 -3.361 -9.902 -1.426 1.00 0.87 O ATOM 1236 CG2 THR A 83 -5.694 -9.517 -1.182 1.00 0.87 C ATOM 0 H THR A 83 -4.072 -9.426 -4.018 1.00 0.49 H new ATOM 0 HA THR A 83 -5.022 -7.146 -2.401 1.00 0.51 H new ATOM 0 HB THR A 83 -4.099 -8.233 -0.479 1.00 0.67 H new ATOM 0 HG1 THR A 83 -3.425 -10.473 -0.632 1.00 0.87 H new ATOM 0 HG21 THR A 83 -5.687 -10.174 -0.312 1.00 0.87 H new ATOM 0 HG22 THR A 83 -6.450 -8.744 -1.047 1.00 0.87 H new ATOM 0 HG23 THR A 83 -5.925 -10.099 -2.074 1.00 0.87 H new ATOM 1244 N VAL A 84 -2.742 -6.099 -1.932 1.00 0.48 N ATOM 1245 CA VAL A 84 -1.479 -5.334 -1.824 1.00 0.47 C ATOM 1246 C VAL A 84 -1.188 -4.911 -0.378 1.00 0.50 C ATOM 1247 O VAL A 84 -2.109 -4.791 0.436 1.00 0.52 O ATOM 1248 CB VAL A 84 -1.451 -4.094 -2.749 1.00 0.49 C ATOM 1249 CG1 VAL A 84 -1.383 -4.493 -4.227 1.00 0.49 C ATOM 1250 CG2 VAL A 84 -2.646 -3.149 -2.553 1.00 0.54 C ATOM 0 H VAL A 84 -3.495 -5.694 -1.376 1.00 0.48 H new ATOM 0 HA VAL A 84 -0.695 -6.015 -2.154 1.00 0.47 H new ATOM 0 HB VAL A 84 -0.547 -3.557 -2.462 1.00 0.49 H new ATOM 0 HG11 VAL A 84 -1.365 -3.596 -4.846 1.00 0.49 H new ATOM 0 HG12 VAL A 84 -0.479 -5.075 -4.406 1.00 0.49 H new ATOM 0 HG13 VAL A 84 -2.257 -5.092 -4.483 1.00 0.49 H new ATOM 0 HG21 VAL A 84 -2.557 -2.304 -3.235 1.00 0.54 H new ATOM 0 HG22 VAL A 84 -3.572 -3.686 -2.759 1.00 0.54 H new ATOM 0 HG23 VAL A 84 -2.658 -2.786 -1.525 1.00 0.54 H new ATOM 1260 N ILE A 85 0.093 -4.652 -0.084 1.00 0.53 N ATOM 1261 CA ILE A 85 0.624 -4.155 1.203 1.00 0.57 C ATOM 1262 C ILE A 85 1.333 -2.805 1.078 1.00 0.60 C ATOM 1263 O ILE A 85 1.953 -2.488 0.061 1.00 0.90 O ATOM 1264 CB ILE A 85 1.532 -5.167 1.961 1.00 0.61 C ATOM 1265 CG1 ILE A 85 2.159 -6.288 1.106 1.00 0.83 C ATOM 1266 CG2 ILE A 85 0.741 -5.808 3.108 1.00 0.91 C ATOM 1267 CD1 ILE A 85 3.102 -5.763 0.020 1.00 0.59 C ATOM 0 H ILE A 85 0.832 -4.790 -0.773 1.00 0.53 H new ATOM 0 HA ILE A 85 -0.272 -4.020 1.809 1.00 0.57 H new ATOM 0 HB ILE A 85 2.371 -4.568 2.316 1.00 0.61 H new ATOM 0 HG12 ILE A 85 2.708 -6.968 1.757 1.00 0.83 H new ATOM 0 HG13 ILE A 85 1.363 -6.867 0.638 1.00 0.83 H new ATOM 0 HG21 ILE A 85 1.378 -6.516 3.638 1.00 0.91 H new ATOM 0 HG22 ILE A 85 0.408 -5.033 3.798 1.00 0.91 H new ATOM 0 HG23 ILE A 85 -0.126 -6.331 2.704 1.00 0.91 H new ATOM 0 HD11 ILE A 85 3.509 -6.602 -0.545 1.00 0.59 H new ATOM 0 HD12 ILE A 85 2.552 -5.105 -0.653 1.00 0.59 H new ATOM 0 HD13 ILE A 85 3.918 -5.208 0.484 1.00 0.59 H new ATOM 1279 N ALA A 86 1.267 -2.024 2.158 1.00 0.50 N ATOM 1280 CA ALA A 86 1.944 -0.739 2.274 1.00 0.54 C ATOM 1281 C ALA A 86 3.469 -0.877 2.103 1.00 0.51 C ATOM 1282 O ALA A 86 4.079 -1.857 2.527 1.00 0.52 O ATOM 1283 CB ALA A 86 1.566 -0.100 3.616 1.00 0.63 C ATOM 0 H ALA A 86 0.731 -2.275 2.989 1.00 0.50 H new ATOM 0 HA ALA A 86 1.615 -0.085 1.467 1.00 0.54 H new ATOM 0 HB1 ALA A 86 2.067 0.863 3.714 1.00 0.63 H new ATOM 0 HB2 ALA A 86 0.487 0.046 3.658 1.00 0.63 H new ATOM 0 HB3 ALA A 86 1.875 -0.755 4.431 1.00 0.63 H new ATOM 1289 N GLY A 87 4.085 0.119 1.469 1.00 0.53 N ATOM 1290 CA GLY A 87 5.526 0.191 1.220 1.00 0.56 C ATOM 1291 C GLY A 87 6.048 -0.605 0.016 1.00 0.57 C ATOM 1292 O GLY A 87 7.209 -0.427 -0.355 1.00 0.70 O ATOM 0 H GLY A 87 3.579 0.925 1.102 1.00 0.53 H new ATOM 0 HA2 GLY A 87 5.798 1.238 1.082 1.00 0.56 H new ATOM 0 HA3 GLY A 87 6.045 -0.158 2.112 1.00 0.56 H new ATOM 1296 N SER A 88 5.215 -1.427 -0.632 1.00 0.50 N ATOM 1297 CA SER A 88 5.540 -2.066 -1.918 1.00 0.50 C ATOM 1298 C SER A 88 5.484 -1.052 -3.078 1.00 0.44 C ATOM 1299 O SER A 88 4.850 0.003 -2.965 1.00 0.45 O ATOM 1300 CB SER A 88 4.629 -3.284 -2.116 1.00 0.53 C ATOM 1301 OG SER A 88 4.676 -3.840 -3.407 1.00 2.19 O ATOM 0 H SER A 88 4.290 -1.671 -0.279 1.00 0.50 H new ATOM 0 HA SER A 88 6.569 -2.426 -1.908 1.00 0.50 H new ATOM 0 HB2 SER A 88 4.906 -4.051 -1.393 1.00 0.53 H new ATOM 0 HB3 SER A 88 3.602 -2.994 -1.896 1.00 0.53 H new ATOM 0 HG SER A 88 5.610 -3.957 -3.679 1.00 2.19 H new ATOM 1307 N ILE A 89 6.191 -1.364 -4.169 1.00 0.43 N ATOM 1308 CA ILE A 89 6.460 -0.465 -5.309 1.00 0.44 C ATOM 1309 C ILE A 89 5.727 -0.922 -6.577 1.00 0.41 C ATOM 1310 O ILE A 89 5.776 -2.099 -6.930 1.00 0.46 O ATOM 1311 CB ILE A 89 7.975 -0.346 -5.641 1.00 0.54 C ATOM 1312 CG1 ILE A 89 8.987 -0.805 -4.563 1.00 0.80 C ATOM 1313 CG2 ILE A 89 8.270 1.090 -6.108 1.00 0.63 C ATOM 1314 CD1 ILE A 89 9.041 0.038 -3.288 1.00 0.99 C ATOM 0 H ILE A 89 6.611 -2.285 -4.292 1.00 0.43 H new ATOM 0 HA ILE A 89 6.091 0.511 -4.994 1.00 0.44 H new ATOM 0 HB ILE A 89 8.143 -1.077 -6.432 1.00 0.54 H new ATOM 0 HG12 ILE A 89 8.750 -1.832 -4.285 1.00 0.80 H new ATOM 0 HG13 ILE A 89 9.982 -0.817 -5.009 1.00 0.80 H new ATOM 0 HG21 ILE A 89 9.330 1.185 -6.344 1.00 0.63 H new ATOM 0 HG22 ILE A 89 7.679 1.312 -6.997 1.00 0.63 H new ATOM 0 HG23 ILE A 89 8.010 1.791 -5.315 1.00 0.63 H new ATOM 0 HD11 ILE A 89 9.784 -0.378 -2.608 1.00 0.99 H new ATOM 0 HD12 ILE A 89 9.314 1.063 -3.541 1.00 0.99 H new ATOM 0 HD13 ILE A 89 8.064 0.031 -2.806 1.00 0.99 H new ATOM 1326 N ASN A 90 5.114 0.000 -7.318 1.00 0.46 N ATOM 1327 CA ASN A 90 4.515 -0.261 -8.633 1.00 0.59 C ATOM 1328 C ASN A 90 5.460 0.190 -9.762 1.00 0.76 C ATOM 1329 O ASN A 90 5.964 1.308 -9.718 1.00 0.80 O ATOM 1330 CB ASN A 90 3.154 0.457 -8.652 1.00 0.60 C ATOM 1331 CG ASN A 90 2.417 0.452 -9.981 1.00 0.98 C ATOM 1332 OD1 ASN A 90 2.844 -0.072 -11.001 1.00 2.23 O ATOM 1333 ND2 ASN A 90 1.267 1.067 -9.991 1.00 0.50 N ATOM 0 H ASN A 90 5.016 0.970 -7.018 1.00 0.46 H new ATOM 0 HA ASN A 90 4.359 -1.326 -8.803 1.00 0.59 H new ATOM 0 HB2 ASN A 90 2.512 -0.004 -7.901 1.00 0.60 H new ATOM 0 HB3 ASN A 90 3.307 1.492 -8.348 1.00 0.60 H new ATOM 0 HD21 ASN A 90 0.720 1.112 -10.851 1.00 0.50 H new ATOM 0 HD22 ASN A 90 0.914 1.503 -9.139 1.00 0.50 H new ATOM 1340 N GLN A 91 5.657 -0.631 -10.802 1.00 1.01 N ATOM 1341 CA GLN A 91 6.454 -0.264 -11.977 1.00 1.22 C ATOM 1342 C GLN A 91 5.809 -0.658 -13.322 1.00 1.49 C ATOM 1343 O GLN A 91 6.414 -1.342 -14.152 1.00 2.95 O ATOM 1344 CB GLN A 91 7.879 -0.815 -11.823 1.00 1.84 C ATOM 1345 CG GLN A 91 8.838 0.037 -12.661 1.00 2.37 C ATOM 1346 CD GLN A 91 9.545 1.062 -11.785 1.00 2.81 C ATOM 1347 OE1 GLN A 91 10.530 0.762 -11.118 1.00 3.42 O ATOM 1348 NE2 GLN A 91 9.053 2.275 -11.701 1.00 3.18 N ATOM 0 H GLN A 91 5.266 -1.572 -10.851 1.00 1.01 H new ATOM 0 HA GLN A 91 6.496 0.825 -12.014 1.00 1.22 H new ATOM 0 HB2 GLN A 91 8.178 -0.797 -10.775 1.00 1.84 H new ATOM 0 HB3 GLN A 91 7.918 -1.855 -12.148 1.00 1.84 H new ATOM 0 HG2 GLN A 91 9.574 -0.604 -13.147 1.00 2.37 H new ATOM 0 HG3 GLN A 91 8.286 0.545 -13.452 1.00 2.37 H new ATOM 0 HE21 GLN A 91 8.234 2.533 -12.252 1.00 3.18 H new ATOM 0 HE22 GLN A 91 9.489 2.961 -11.085 1.00 3.18 H new ATOM 1357 N ASN A 92 4.561 -0.245 -13.556 1.00 1.00 N ATOM 1358 CA ASN A 92 3.883 -0.440 -14.849 1.00 1.17 C ATOM 1359 C ASN A 92 2.785 0.591 -15.183 1.00 1.47 C ATOM 1360 O ASN A 92 2.830 1.185 -16.260 1.00 2.59 O ATOM 1361 CB ASN A 92 3.307 -1.866 -14.909 1.00 1.98 C ATOM 1362 CG ASN A 92 2.641 -2.123 -16.249 1.00 2.44 C ATOM 1363 OD1 ASN A 92 3.308 -2.323 -17.255 1.00 2.98 O ATOM 1364 ND2 ASN A 92 1.332 -2.069 -16.321 1.00 2.67 N ATOM 0 H ASN A 92 3.990 0.233 -12.859 1.00 1.00 H new ATOM 0 HA ASN A 92 4.648 -0.286 -15.610 1.00 1.17 H new ATOM 0 HB2 ASN A 92 4.104 -2.592 -14.749 1.00 1.98 H new ATOM 0 HB3 ASN A 92 2.583 -2.005 -14.106 1.00 1.98 H new ATOM 0 HD21 ASN A 92 0.865 -2.194 -17.219 1.00 2.67 H new ATOM 0 HD22 ASN A 92 0.781 -1.902 -15.479 1.00 2.67 H new ATOM 1371 N GLY A 93 1.791 0.796 -14.312 1.00 1.37 N ATOM 1372 CA GLY A 93 0.594 1.584 -14.654 1.00 1.91 C ATOM 1373 C GLY A 93 -0.334 1.893 -13.476 1.00 1.67 C ATOM 1374 O GLY A 93 0.106 1.926 -12.333 1.00 2.50 O ATOM 0 H GLY A 93 1.789 0.427 -13.361 1.00 1.37 H new ATOM 0 HA2 GLY A 93 0.913 2.525 -15.103 1.00 1.91 H new ATOM 0 HA3 GLY A 93 0.027 1.045 -15.413 1.00 1.91 H new ATOM 1378 N SER A 94 -1.613 2.150 -13.753 1.00 0.98 N ATOM 1379 CA SER A 94 -2.642 2.421 -12.736 1.00 0.85 C ATOM 1380 C SER A 94 -3.247 1.138 -12.145 1.00 0.91 C ATOM 1381 O SER A 94 -3.226 0.074 -12.770 1.00 1.75 O ATOM 1382 CB SER A 94 -3.730 3.322 -13.333 1.00 1.40 C ATOM 1383 OG SER A 94 -4.707 3.677 -12.371 1.00 3.06 O ATOM 0 H SER A 94 -1.974 2.177 -14.707 1.00 0.98 H new ATOM 0 HA SER A 94 -2.160 2.936 -11.905 1.00 0.85 H new ATOM 0 HB2 SER A 94 -3.273 4.225 -13.736 1.00 1.40 H new ATOM 0 HB3 SER A 94 -4.210 2.809 -14.166 1.00 1.40 H new ATOM 0 HG SER A 94 -5.382 4.252 -12.787 1.00 3.06 H new ATOM 1389 N LEU A 95 -3.773 1.252 -10.925 1.00 0.69 N ATOM 1390 CA LEU A 95 -4.631 0.274 -10.240 1.00 0.69 C ATOM 1391 C LEU A 95 -5.611 1.054 -9.346 1.00 0.67 C ATOM 1392 O LEU A 95 -5.283 2.142 -8.853 1.00 0.68 O ATOM 1393 CB LEU A 95 -3.833 -0.729 -9.381 1.00 0.65 C ATOM 1394 CG LEU A 95 -2.836 -1.685 -10.053 1.00 0.78 C ATOM 1395 CD1 LEU A 95 -2.070 -2.452 -8.970 1.00 0.74 C ATOM 1396 CD2 LEU A 95 -3.549 -2.703 -10.933 1.00 1.12 C ATOM 0 H LEU A 95 -3.604 2.078 -10.351 1.00 0.69 H new ATOM 0 HA LEU A 95 -5.153 -0.313 -10.996 1.00 0.69 H new ATOM 0 HB2 LEU A 95 -3.281 -0.154 -8.638 1.00 0.65 H new ATOM 0 HB3 LEU A 95 -4.555 -1.340 -8.840 1.00 0.65 H new ATOM 0 HG LEU A 95 -2.163 -1.089 -10.670 1.00 0.78 H new ATOM 0 HD11 LEU A 95 -1.360 -3.133 -9.440 1.00 0.74 H new ATOM 0 HD12 LEU A 95 -1.532 -1.747 -8.336 1.00 0.74 H new ATOM 0 HD13 LEU A 95 -2.772 -3.023 -8.362 1.00 0.74 H new ATOM 0 HD21 LEU A 95 -2.814 -3.364 -11.393 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -4.236 -3.292 -10.325 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -4.108 -2.183 -11.711 1.00 1.12 H new ATOM 1408 N LEU A 96 -6.789 0.479 -9.093 1.00 0.65 N ATOM 1409 CA LEU A 96 -7.805 1.040 -8.192 1.00 0.66 C ATOM 1410 C LEU A 96 -7.928 0.151 -6.945 1.00 0.59 C ATOM 1411 O LEU A 96 -8.326 -1.014 -7.051 1.00 0.66 O ATOM 1412 CB LEU A 96 -9.148 1.184 -8.940 1.00 0.89 C ATOM 1413 CG LEU A 96 -9.261 2.402 -9.881 1.00 1.24 C ATOM 1414 CD1 LEU A 96 -8.250 2.432 -11.034 1.00 2.13 C ATOM 1415 CD2 LEU A 96 -10.646 2.491 -10.512 1.00 2.12 C ATOM 0 H LEU A 96 -7.071 -0.406 -9.515 1.00 0.65 H new ATOM 0 HA LEU A 96 -7.508 2.036 -7.863 1.00 0.66 H new ATOM 0 HB2 LEU A 96 -9.316 0.279 -9.524 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -9.949 1.241 -8.203 1.00 0.89 H new ATOM 0 HG LEU A 96 -9.052 3.245 -9.222 1.00 1.24 H new ATOM 0 HD11 LEU A 96 -8.412 3.326 -11.637 1.00 2.13 H new ATOM 0 HD12 LEU A 96 -7.238 2.445 -10.630 1.00 2.13 H new ATOM 0 HD13 LEU A 96 -8.381 1.546 -11.656 1.00 2.13 H new ATOM 0 HD21 LEU A 96 -10.691 3.360 -11.169 1.00 2.12 H new ATOM 0 HD22 LEU A 96 -10.841 1.588 -11.091 1.00 2.12 H new ATOM 0 HD23 LEU A 96 -11.397 2.589 -9.728 1.00 2.12 H new ATOM 1427 N ILE A 97 -7.568 0.690 -5.773 1.00 0.51 N ATOM 1428 CA ILE A 97 -7.491 -0.056 -4.507 1.00 0.49 C ATOM 1429 C ILE A 97 -8.530 0.448 -3.496 1.00 0.44 C ATOM 1430 O ILE A 97 -8.567 1.632 -3.164 1.00 0.43 O ATOM 1431 CB ILE A 97 -6.061 0.001 -3.912 1.00 0.53 C ATOM 1432 CG1 ILE A 97 -4.962 -0.322 -4.952 1.00 0.77 C ATOM 1433 CG2 ILE A 97 -5.923 -0.994 -2.744 1.00 0.57 C ATOM 1434 CD1 ILE A 97 -4.390 0.920 -5.643 1.00 1.18 C ATOM 0 H ILE A 97 -7.317 1.674 -5.675 1.00 0.51 H new ATOM 0 HA ILE A 97 -7.722 -1.099 -4.725 1.00 0.49 H new ATOM 0 HB ILE A 97 -5.920 1.026 -3.569 1.00 0.53 H new ATOM 0 HG12 ILE A 97 -4.152 -0.859 -4.458 1.00 0.77 H new ATOM 0 HG13 ILE A 97 -5.373 -0.991 -5.708 1.00 0.77 H new ATOM 0 HG21 ILE A 97 -4.913 -0.941 -2.338 1.00 0.57 H new ATOM 0 HG22 ILE A 97 -6.641 -0.741 -1.964 1.00 0.57 H new ATOM 0 HG23 ILE A 97 -6.117 -2.005 -3.102 1.00 0.57 H new ATOM 0 HD11 ILE A 97 -3.625 0.618 -6.359 1.00 1.18 H new ATOM 0 HD12 ILE A 97 -5.189 1.446 -6.166 1.00 1.18 H new ATOM 0 HD13 ILE A 97 -3.948 1.581 -4.897 1.00 1.18 H new ATOM 1446 N CYS A 98 -9.350 -0.454 -2.957 1.00 0.47 N ATOM 1447 CA CYS A 98 -10.222 -0.160 -1.821 1.00 0.47 C ATOM 1448 C CYS A 98 -9.414 -0.284 -0.515 1.00 0.49 C ATOM 1449 O CYS A 98 -8.828 -1.333 -0.231 1.00 0.55 O ATOM 1450 CB CYS A 98 -11.497 -1.023 -1.895 1.00 0.55 C ATOM 1451 SG CYS A 98 -11.198 -2.803 -1.697 1.00 1.55 S ATOM 0 H CYS A 98 -9.428 -1.412 -3.297 1.00 0.47 H new ATOM 0 HA CYS A 98 -10.581 0.869 -1.849 1.00 0.47 H new ATOM 0 HB2 CYS A 98 -12.191 -0.694 -1.122 1.00 0.55 H new ATOM 0 HB3 CYS A 98 -11.984 -0.852 -2.855 1.00 0.55 H new ATOM 0 HG CYS A 98 -10.112 -3.134 -2.331 1.00 1.55 H new ATOM 1457 N ALA A 99 -9.310 0.800 0.259 1.00 0.51 N ATOM 1458 CA ALA A 99 -8.487 0.824 1.467 1.00 0.55 C ATOM 1459 C ALA A 99 -9.225 0.176 2.648 1.00 0.70 C ATOM 1460 O ALA A 99 -10.315 0.618 3.019 1.00 0.88 O ATOM 1461 CB ALA A 99 -8.078 2.272 1.765 1.00 0.57 C ATOM 0 H ALA A 99 -9.791 1.679 0.066 1.00 0.51 H new ATOM 0 HA ALA A 99 -7.583 0.236 1.308 1.00 0.55 H new ATOM 0 HB1 ALA A 99 -7.464 2.299 2.665 1.00 0.57 H new ATOM 0 HB2 ALA A 99 -7.508 2.669 0.925 1.00 0.57 H new ATOM 0 HB3 ALA A 99 -8.971 2.878 1.917 1.00 0.57 H new ATOM 1467 N THR A 100 -8.617 -0.842 3.258 1.00 0.80 N ATOM 1468 CA THR A 100 -9.233 -1.652 4.330 1.00 0.99 C ATOM 1469 C THR A 100 -8.521 -1.532 5.679 1.00 0.98 C ATOM 1470 O THR A 100 -9.065 -1.968 6.699 1.00 1.02 O ATOM 1471 CB THR A 100 -9.300 -3.127 3.902 1.00 1.28 C ATOM 1472 OG1 THR A 100 -7.993 -3.578 3.646 1.00 2.56 O ATOM 1473 CG2 THR A 100 -10.120 -3.331 2.626 1.00 1.55 C ATOM 0 H THR A 100 -7.669 -1.138 3.024 1.00 0.80 H new ATOM 0 HA THR A 100 -10.237 -1.253 4.476 1.00 0.99 H new ATOM 0 HB THR A 100 -9.779 -3.681 4.710 1.00 1.28 H new ATOM 0 HG1 THR A 100 -7.492 -3.624 4.487 1.00 2.56 H new ATOM 0 HG21 THR A 100 -10.135 -4.390 2.368 1.00 1.55 H new ATOM 0 HG22 THR A 100 -11.140 -2.983 2.789 1.00 1.55 H new ATOM 0 HG23 THR A 100 -9.670 -2.766 1.810 1.00 1.55 H new ATOM 1481 N HIS A 101 -7.361 -0.873 5.721 1.00 0.96 N ATOM 1482 CA HIS A 101 -6.609 -0.550 6.934 1.00 0.97 C ATOM 1483 C HIS A 101 -5.969 0.844 6.819 1.00 0.96 C ATOM 1484 O HIS A 101 -5.645 1.300 5.726 1.00 0.86 O ATOM 1485 CB HIS A 101 -5.513 -1.608 7.162 1.00 1.05 C ATOM 1486 CG HIS A 101 -6.011 -3.033 7.157 1.00 1.17 C ATOM 1487 ND1 HIS A 101 -6.004 -3.890 6.077 1.00 1.28 N ATOM 1488 CD2 HIS A 101 -6.566 -3.718 8.203 1.00 1.37 C ATOM 1489 CE1 HIS A 101 -6.549 -5.053 6.446 1.00 1.46 C ATOM 1490 NE2 HIS A 101 -6.902 -5.000 7.743 1.00 1.48 N ATOM 0 H HIS A 101 -6.901 -0.536 4.875 1.00 0.96 H new ATOM 0 HA HIS A 101 -7.296 -0.548 7.780 1.00 0.97 H new ATOM 0 HB2 HIS A 101 -4.753 -1.499 6.388 1.00 1.05 H new ATOM 0 HB3 HIS A 101 -5.026 -1.409 8.117 1.00 1.05 H new ATOM 0 HD1 HIS A 101 -5.642 -3.672 5.149 1.00 1.28 H new ATOM 0 HD2 HIS A 101 -6.718 -3.340 9.203 1.00 1.37 H new ATOM 0 HE1 HIS A 101 -6.686 -5.907 5.800 1.00 1.46 H new ATOM 1498 N VAL A 102 -5.782 1.519 7.955 1.00 1.11 N ATOM 1499 CA VAL A 102 -4.958 2.740 8.087 1.00 1.19 C ATOM 1500 C VAL A 102 -3.591 2.377 8.681 1.00 1.20 C ATOM 1501 O VAL A 102 -3.405 1.239 9.118 1.00 1.14 O ATOM 1502 CB VAL A 102 -5.681 3.839 8.889 1.00 1.24 C ATOM 1503 CG1 VAL A 102 -6.808 4.434 8.046 1.00 1.88 C ATOM 1504 CG2 VAL A 102 -6.248 3.345 10.227 1.00 1.41 C ATOM 0 H VAL A 102 -6.207 1.231 8.836 1.00 1.11 H new ATOM 0 HA VAL A 102 -4.794 3.163 7.096 1.00 1.19 H new ATOM 0 HB VAL A 102 -4.933 4.596 9.124 1.00 1.24 H new ATOM 0 HG11 VAL A 102 -7.317 5.211 8.616 1.00 1.88 H new ATOM 0 HG12 VAL A 102 -6.392 4.865 7.135 1.00 1.88 H new ATOM 0 HG13 VAL A 102 -7.519 3.651 7.784 1.00 1.88 H new ATOM 0 HG21 VAL A 102 -6.743 4.170 10.739 1.00 1.41 H new ATOM 0 HG22 VAL A 102 -6.967 2.547 10.045 1.00 1.41 H new ATOM 0 HG23 VAL A 102 -5.436 2.967 10.849 1.00 1.41 H new ATOM 1514 N GLY A 103 -2.616 3.293 8.728 1.00 1.35 N ATOM 1515 CA GLY A 103 -1.249 2.968 9.175 1.00 1.49 C ATOM 1516 C GLY A 103 -1.151 2.462 10.623 1.00 1.44 C ATOM 1517 O GLY A 103 -0.242 1.699 10.956 1.00 1.64 O ATOM 0 H GLY A 103 -2.746 4.269 8.462 1.00 1.35 H new ATOM 0 HA2 GLY A 103 -0.835 2.210 8.511 1.00 1.49 H new ATOM 0 HA3 GLY A 103 -0.627 3.857 9.072 1.00 1.49 H new ATOM 1521 N ALA A 104 -2.113 2.810 11.481 1.00 1.34 N ATOM 1522 CA ALA A 104 -2.254 2.229 12.814 1.00 1.42 C ATOM 1523 C ALA A 104 -2.717 0.755 12.783 1.00 1.26 C ATOM 1524 O ALA A 104 -2.172 -0.073 13.503 1.00 1.32 O ATOM 1525 CB ALA A 104 -3.235 3.107 13.601 1.00 1.62 C ATOM 0 H ALA A 104 -2.822 3.511 11.265 1.00 1.34 H new ATOM 0 HA ALA A 104 -1.278 2.210 13.300 1.00 1.42 H new ATOM 0 HB1 ALA A 104 -3.363 2.700 14.604 1.00 1.62 H new ATOM 0 HB2 ALA A 104 -2.842 4.121 13.668 1.00 1.62 H new ATOM 0 HB3 ALA A 104 -4.198 3.124 13.091 1.00 1.62 H new ATOM 1531 N ASP A 105 -3.748 0.443 11.990 1.00 1.16 N ATOM 1532 CA ASP A 105 -4.431 -0.865 11.888 1.00 1.18 C ATOM 1533 C ASP A 105 -3.715 -1.945 11.041 1.00 1.11 C ATOM 1534 O ASP A 105 -4.073 -3.123 11.100 1.00 1.27 O ATOM 1535 CB ASP A 105 -5.851 -0.575 11.373 1.00 1.31 C ATOM 1536 CG ASP A 105 -6.876 -1.710 11.500 1.00 1.66 C ATOM 1537 OD1 ASP A 105 -6.702 -2.673 12.289 1.00 2.11 O ATOM 1538 OD2 ASP A 105 -7.926 -1.571 10.833 1.00 2.53 O ATOM 0 H ASP A 105 -4.158 1.134 11.362 1.00 1.16 H new ATOM 0 HA ASP A 105 -4.432 -1.322 12.878 1.00 1.18 H new ATOM 0 HB2 ASP A 105 -6.236 0.293 11.908 1.00 1.31 H new ATOM 0 HB3 ASP A 105 -5.781 -0.296 10.322 1.00 1.31 H new ATOM 1543 N THR A 106 -2.749 -1.572 10.198 1.00 1.02 N ATOM 1544 CA THR A 106 -2.161 -2.489 9.201 1.00 1.14 C ATOM 1545 C THR A 106 -1.264 -3.573 9.816 1.00 1.20 C ATOM 1546 O THR A 106 -0.575 -3.355 10.814 1.00 1.13 O ATOM 1547 CB THR A 106 -1.445 -1.729 8.067 1.00 1.21 C ATOM 1548 OG1 THR A 106 -0.915 -2.623 7.117 1.00 2.78 O ATOM 1549 CG2 THR A 106 -0.285 -0.853 8.522 1.00 2.10 C ATOM 0 H THR A 106 -2.350 -0.633 10.182 1.00 1.02 H new ATOM 0 HA THR A 106 -3.005 -3.019 8.760 1.00 1.14 H new ATOM 0 HB THR A 106 -2.224 -1.090 7.651 1.00 1.21 H new ATOM 0 HG1 THR A 106 -1.510 -2.665 6.340 1.00 2.78 H new ATOM 0 HG21 THR A 106 0.158 -0.358 7.658 1.00 2.10 H new ATOM 0 HG22 THR A 106 -0.649 -0.102 9.223 1.00 2.10 H new ATOM 0 HG23 THR A 106 0.468 -1.471 9.011 1.00 2.10 H new ATOM 1557 N THR A 107 -1.231 -4.748 9.181 1.00 1.42 N ATOM 1558 CA THR A 107 -0.303 -5.850 9.489 1.00 1.43 C ATOM 1559 C THR A 107 1.165 -5.401 9.527 1.00 1.35 C ATOM 1560 O THR A 107 1.913 -5.832 10.402 1.00 1.30 O ATOM 1561 CB THR A 107 -0.515 -7.001 8.487 1.00 1.60 C ATOM 1562 OG1 THR A 107 0.301 -8.107 8.805 1.00 1.77 O ATOM 1563 CG2 THR A 107 -0.216 -6.641 7.027 1.00 1.92 C ATOM 0 H THR A 107 -1.867 -4.969 8.415 1.00 1.42 H new ATOM 0 HA THR A 107 -0.530 -6.203 10.495 1.00 1.43 H new ATOM 0 HB THR A 107 -1.577 -7.232 8.576 1.00 1.60 H new ATOM 0 HG1 THR A 107 0.147 -8.825 8.156 1.00 1.77 H new ATOM 0 HG21 THR A 107 -0.393 -7.511 6.394 1.00 1.92 H new ATOM 0 HG22 THR A 107 -0.867 -5.825 6.713 1.00 1.92 H new ATOM 0 HG23 THR A 107 0.825 -6.330 6.935 1.00 1.92 H new ATOM 1571 N LEU A 108 1.575 -4.459 8.664 1.00 1.37 N ATOM 1572 CA LEU A 108 2.951 -3.959 8.594 1.00 1.38 C ATOM 1573 C LEU A 108 3.404 -3.317 9.921 1.00 1.21 C ATOM 1574 O LEU A 108 4.488 -3.617 10.423 1.00 1.20 O ATOM 1575 CB LEU A 108 3.022 -2.962 7.418 1.00 1.55 C ATOM 1576 CG LEU A 108 4.452 -2.559 7.013 1.00 0.94 C ATOM 1577 CD1 LEU A 108 5.135 -3.646 6.188 1.00 1.72 C ATOM 1578 CD2 LEU A 108 4.412 -1.319 6.131 1.00 0.99 C ATOM 0 H LEU A 108 0.950 -4.019 7.988 1.00 1.37 H new ATOM 0 HA LEU A 108 3.639 -4.787 8.426 1.00 1.38 H new ATOM 0 HB2 LEU A 108 2.523 -3.401 6.554 1.00 1.55 H new ATOM 0 HB3 LEU A 108 2.466 -2.063 7.685 1.00 1.55 H new ATOM 0 HG LEU A 108 5.000 -2.387 7.939 1.00 0.94 H new ATOM 0 HD11 LEU A 108 6.142 -3.323 5.922 1.00 1.72 H new ATOM 0 HD12 LEU A 108 5.191 -4.565 6.772 1.00 1.72 H new ATOM 0 HD13 LEU A 108 4.561 -3.828 5.280 1.00 1.72 H new ATOM 0 HD21 LEU A 108 5.427 -1.040 5.849 1.00 0.99 H new ATOM 0 HD22 LEU A 108 3.831 -1.530 5.233 1.00 0.99 H new ATOM 0 HD23 LEU A 108 3.949 -0.498 6.678 1.00 0.99 H new ATOM 1590 N SER A 109 2.562 -2.461 10.511 1.00 1.11 N ATOM 1591 CA SER A 109 2.781 -1.880 11.839 1.00 1.06 C ATOM 1592 C SER A 109 2.547 -2.873 12.985 1.00 1.01 C ATOM 1593 O SER A 109 3.257 -2.807 13.987 1.00 1.06 O ATOM 1594 CB SER A 109 1.981 -0.585 12.003 1.00 1.03 C ATOM 1595 OG SER A 109 0.606 -0.770 11.744 1.00 2.13 O ATOM 0 H SER A 109 1.696 -2.148 10.072 1.00 1.11 H new ATOM 0 HA SER A 109 3.839 -1.626 11.906 1.00 1.06 H new ATOM 0 HB2 SER A 109 2.110 -0.206 13.017 1.00 1.03 H new ATOM 0 HB3 SER A 109 2.377 0.173 11.327 1.00 1.03 H new ATOM 0 HG SER A 109 0.215 0.074 11.437 1.00 2.13 H new ATOM 1601 N GLN A 110 1.642 -3.847 12.830 1.00 1.03 N ATOM 1602 CA GLN A 110 1.410 -4.902 13.833 1.00 1.08 C ATOM 1603 C GLN A 110 2.675 -5.750 14.057 1.00 1.15 C ATOM 1604 O GLN A 110 3.043 -6.022 15.200 1.00 1.18 O ATOM 1605 CB GLN A 110 0.232 -5.786 13.380 1.00 1.16 C ATOM 1606 CG GLN A 110 -0.260 -6.811 14.416 1.00 1.28 C ATOM 1607 CD GLN A 110 -1.136 -6.183 15.488 1.00 1.40 C ATOM 1608 OE1 GLN A 110 -0.850 -6.217 16.680 1.00 1.59 O ATOM 1609 NE2 GLN A 110 -2.246 -5.605 15.098 1.00 1.45 N ATOM 0 H GLN A 110 1.047 -3.929 12.005 1.00 1.03 H new ATOM 0 HA GLN A 110 1.163 -4.432 14.785 1.00 1.08 H new ATOM 0 HB2 GLN A 110 -0.603 -5.139 13.109 1.00 1.16 H new ATOM 0 HB3 GLN A 110 0.527 -6.320 12.477 1.00 1.16 H new ATOM 0 HG2 GLN A 110 -0.820 -7.596 13.908 1.00 1.28 H new ATOM 0 HG3 GLN A 110 0.600 -7.287 14.887 1.00 1.28 H new ATOM 0 HE21 GLN A 110 -2.485 -5.576 14.107 1.00 1.45 H new ATOM 0 HE22 GLN A 110 -2.871 -5.184 15.786 1.00 1.45 H new ATOM 1618 N ILE A 111 3.371 -6.117 12.972 1.00 1.22 N ATOM 1619 CA ILE A 111 4.617 -6.900 13.005 1.00 1.30 C ATOM 1620 C ILE A 111 5.688 -6.170 13.826 1.00 1.17 C ATOM 1621 O ILE A 111 6.198 -6.726 14.798 1.00 1.21 O ATOM 1622 CB ILE A 111 5.093 -7.213 11.564 1.00 1.47 C ATOM 1623 CG1 ILE A 111 4.116 -8.190 10.865 1.00 1.64 C ATOM 1624 CG2 ILE A 111 6.512 -7.819 11.548 1.00 1.61 C ATOM 1625 CD1 ILE A 111 4.215 -8.155 9.334 1.00 1.80 C ATOM 0 H ILE A 111 3.078 -5.873 12.026 1.00 1.22 H new ATOM 0 HA ILE A 111 4.429 -7.853 13.499 1.00 1.30 H new ATOM 0 HB ILE A 111 5.114 -6.266 11.024 1.00 1.47 H new ATOM 0 HG12 ILE A 111 4.316 -9.204 11.212 1.00 1.64 H new ATOM 0 HG13 ILE A 111 3.096 -7.947 11.162 1.00 1.64 H new ATOM 0 HG21 ILE A 111 6.809 -8.024 10.519 1.00 1.61 H new ATOM 0 HG22 ILE A 111 7.214 -7.114 11.994 1.00 1.61 H new ATOM 0 HG23 ILE A 111 6.518 -8.747 12.119 1.00 1.61 H new ATOM 0 HD11 ILE A 111 3.504 -8.863 8.907 1.00 1.80 H new ATOM 0 HD12 ILE A 111 3.986 -7.151 8.977 1.00 1.80 H new ATOM 0 HD13 ILE A 111 5.225 -8.427 9.028 1.00 1.80 H new ATOM 1637 N VAL A 112 6.004 -4.910 13.499 1.00 1.09 N ATOM 1638 CA VAL A 112 7.044 -4.174 14.244 1.00 1.06 C ATOM 1639 C VAL A 112 6.639 -3.873 15.689 1.00 1.05 C ATOM 1640 O VAL A 112 7.510 -3.877 16.554 1.00 1.14 O ATOM 1641 CB VAL A 112 7.527 -2.898 13.536 1.00 1.15 C ATOM 1642 CG1 VAL A 112 8.144 -3.225 12.172 1.00 1.30 C ATOM 1643 CG2 VAL A 112 6.427 -1.857 13.332 1.00 1.19 C ATOM 0 H VAL A 112 5.568 -4.385 12.741 1.00 1.09 H new ATOM 0 HA VAL A 112 7.892 -4.858 14.272 1.00 1.06 H new ATOM 0 HB VAL A 112 8.275 -2.469 14.203 1.00 1.15 H new ATOM 0 HG11 VAL A 112 8.477 -2.304 11.693 1.00 1.30 H new ATOM 0 HG12 VAL A 112 8.995 -3.892 12.308 1.00 1.30 H new ATOM 0 HG13 VAL A 112 7.399 -3.712 11.543 1.00 1.30 H new ATOM 0 HG21 VAL A 112 6.841 -0.984 12.827 1.00 1.19 H new ATOM 0 HG22 VAL A 112 5.630 -2.284 12.723 1.00 1.19 H new ATOM 0 HG23 VAL A 112 6.024 -1.559 14.300 1.00 1.19 H new