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 11 GLN : amide:sc= 0.0865 X(o=2.4,f=2.2) USER MOD Set 1.2: A 106 THR OG1 : rot -71:sc= 1.36 USER MOD Set 1.3: A 109 SER OG : rot 138:sc= 0.949 USER MOD Set 2.1: A 62 SER OG : rot 45:sc= 1.18 USER MOD Set 2.2: A 90 ASN : amide:sc= 1.03 K(o=2.2,f=-2.5!) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 0.297 USER MOD Set 3.2: A 31 GLN : amide:sc= 0.317 K(o=0.61,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.15) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0335 X(o=-0.034,f=-0.03) 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 -148:sc= 1.07 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 2.28 (180deg=2.25) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -130:sc= 0.358 USER MOD Single : A 83 THR OG1 : rot 180:sc=4.03e-05 USER MOD Single : A 88 SER OG : rot -77:sc= 1.27 USER MOD Single : A 91 GLN : amide:sc= -0.0951 X(o=-0.095,f=-0.095) USER MOD Single : A 92 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.038) USER MOD Single : A 94 SER OG : rot 40:sc= 1.23 USER MOD Single : A 98 CYS SG : rot -20:sc= 0.215 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= 1 K(o=1,f=-3.6!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.085 -2.509 10.094 1.00 1.32 N ATOM 28 CA ALA A 3 14.831 -3.143 9.676 1.00 1.20 C ATOM 29 C ALA A 3 13.635 -2.731 10.562 1.00 1.00 C ATOM 30 O ALA A 3 12.554 -2.448 10.043 1.00 1.06 O ATOM 31 CB ALA A 3 15.024 -4.663 9.658 1.00 1.39 C ATOM 0 HA ALA A 3 14.586 -2.796 8.672 1.00 1.20 H new ATOM 0 HB1 ALA A 3 14.096 -5.144 9.348 1.00 1.39 H new ATOM 0 HB2 ALA A 3 15.818 -4.921 8.957 1.00 1.39 H new ATOM 0 HB3 ALA A 3 15.295 -5.007 10.656 1.00 1.39 H new ATOM 37 N LEU A 4 13.838 -2.589 11.879 1.00 0.94 N ATOM 38 CA LEU A 4 12.816 -2.089 12.812 1.00 0.92 C ATOM 39 C LEU A 4 12.419 -0.628 12.512 1.00 0.88 C ATOM 40 O LEU A 4 11.287 -0.227 12.791 1.00 1.12 O ATOM 41 CB LEU A 4 13.325 -2.280 14.256 1.00 1.03 C ATOM 42 CG LEU A 4 12.268 -2.051 15.354 1.00 1.16 C ATOM 43 CD1 LEU A 4 11.237 -3.174 15.356 1.00 1.28 C ATOM 44 CD2 LEU A 4 12.922 -2.025 16.733 1.00 1.50 C ATOM 0 H LEU A 4 14.723 -2.819 12.331 1.00 0.94 H new ATOM 0 HA LEU A 4 11.900 -2.666 12.684 1.00 0.92 H new ATOM 0 HB2 LEU A 4 13.718 -3.292 14.356 1.00 1.03 H new ATOM 0 HB3 LEU A 4 14.157 -1.597 14.425 1.00 1.03 H new ATOM 0 HG LEU A 4 11.786 -1.096 15.143 1.00 1.16 H new ATOM 0 HD11 LEU A 4 10.501 -2.991 16.139 1.00 1.28 H new ATOM 0 HD12 LEU A 4 10.736 -3.210 14.389 1.00 1.28 H new ATOM 0 HD13 LEU A 4 11.736 -4.125 15.542 1.00 1.28 H new ATOM 0 HD21 LEU A 4 12.159 -1.862 17.494 1.00 1.50 H new ATOM 0 HD22 LEU A 4 13.421 -2.976 16.917 1.00 1.50 H new ATOM 0 HD23 LEU A 4 13.653 -1.218 16.774 1.00 1.50 H new ATOM 56 N ALA A 5 13.331 0.175 11.947 1.00 0.84 N ATOM 57 CA ALA A 5 13.005 1.481 11.367 1.00 0.91 C ATOM 58 C ALA A 5 12.315 1.346 9.990 1.00 0.77 C ATOM 59 O ALA A 5 11.395 2.100 9.680 1.00 0.86 O ATOM 60 CB ALA A 5 14.274 2.342 11.316 1.00 1.21 C ATOM 0 H ALA A 5 14.320 -0.066 11.880 1.00 0.84 H new ATOM 0 HA ALA A 5 12.278 1.984 12.004 1.00 0.91 H new ATOM 0 HB1 ALA A 5 14.037 3.315 10.885 1.00 1.21 H new ATOM 0 HB2 ALA A 5 14.663 2.477 12.325 1.00 1.21 H new ATOM 0 HB3 ALA A 5 15.025 1.847 10.701 1.00 1.21 H new ATOM 66 N LYS A 6 12.722 0.372 9.161 1.00 0.75 N ATOM 67 CA LYS A 6 12.231 0.153 7.787 1.00 0.94 C ATOM 68 C LYS A 6 10.740 -0.190 7.699 1.00 1.02 C ATOM 69 O LYS A 6 10.092 0.240 6.753 1.00 1.23 O ATOM 70 CB LYS A 6 13.082 -0.942 7.119 1.00 1.10 C ATOM 71 CG LYS A 6 13.415 -0.693 5.646 1.00 1.05 C ATOM 72 CD LYS A 6 12.227 -0.678 4.687 1.00 2.89 C ATOM 73 CE LYS A 6 12.712 -0.776 3.240 1.00 2.75 C ATOM 74 NZ LYS A 6 13.411 0.449 2.790 1.00 3.72 N ATOM 0 H LYS A 6 13.428 -0.311 9.437 1.00 0.75 H new ATOM 0 HA LYS A 6 12.336 1.100 7.258 1.00 0.94 H new ATOM 0 HB2 LYS A 6 14.014 -1.046 7.674 1.00 1.10 H new ATOM 0 HB3 LYS A 6 12.554 -1.892 7.201 1.00 1.10 H new ATOM 0 HG2 LYS A 6 13.933 0.263 5.567 1.00 1.05 H new ATOM 0 HG3 LYS A 6 14.114 -1.462 5.316 1.00 1.05 H new ATOM 0 HD2 LYS A 6 11.559 -1.510 4.911 1.00 2.89 H new ATOM 0 HD3 LYS A 6 11.652 0.238 4.824 1.00 2.89 H new ATOM 0 HE2 LYS A 6 13.383 -1.629 3.143 1.00 2.75 H new ATOM 0 HE3 LYS A 6 11.860 -0.964 2.587 1.00 2.75 H new ATOM 0 HZ1 LYS A 6 13.719 0.331 1.804 1.00 3.72 H new ATOM 0 HZ2 LYS A 6 12.765 1.261 2.856 1.00 3.72 H new ATOM 0 HZ3 LYS A 6 14.241 0.617 3.394 1.00 3.72 H new ATOM 88 N LEU A 7 10.157 -0.891 8.676 1.00 1.01 N ATOM 89 CA LEU A 7 8.695 -1.098 8.715 1.00 1.17 C ATOM 90 C LEU A 7 7.928 0.244 8.802 1.00 1.18 C ATOM 91 O LEU A 7 6.832 0.375 8.252 1.00 1.50 O ATOM 92 CB LEU A 7 8.325 -2.076 9.845 1.00 1.18 C ATOM 93 CG LEU A 7 8.389 -3.587 9.533 1.00 1.23 C ATOM 94 CD1 LEU A 7 7.511 -3.994 8.352 1.00 1.29 C ATOM 95 CD2 LEU A 7 9.794 -4.094 9.230 1.00 1.26 C ATOM 0 H LEU A 7 10.665 -1.324 9.447 1.00 1.01 H new ATOM 0 HA LEU A 7 8.383 -1.555 7.776 1.00 1.17 H new ATOM 0 HB2 LEU A 7 8.986 -1.879 10.689 1.00 1.18 H new ATOM 0 HB3 LEU A 7 7.312 -1.843 10.172 1.00 1.18 H new ATOM 0 HG LEU A 7 8.024 -4.041 10.454 1.00 1.23 H new ATOM 0 HD11 LEU A 7 7.601 -5.067 8.185 1.00 1.29 H new ATOM 0 HD12 LEU A 7 6.472 -3.746 8.569 1.00 1.29 H new ATOM 0 HD13 LEU A 7 7.833 -3.459 7.458 1.00 1.29 H new ATOM 0 HD21 LEU A 7 9.758 -5.163 9.021 1.00 1.26 H new ATOM 0 HD22 LEU A 7 10.191 -3.568 8.362 1.00 1.26 H new ATOM 0 HD23 LEU A 7 10.439 -3.914 10.090 1.00 1.26 H new ATOM 107 N ILE A 8 8.521 1.252 9.453 1.00 0.93 N ATOM 108 CA ILE A 8 8.063 2.647 9.388 1.00 0.94 C ATOM 109 C ILE A 8 8.411 3.278 8.029 1.00 0.89 C ATOM 110 O ILE A 8 7.533 3.894 7.425 1.00 1.00 O ATOM 111 CB ILE A 8 8.541 3.477 10.599 1.00 1.13 C ATOM 112 CG1 ILE A 8 7.997 2.911 11.930 1.00 1.44 C ATOM 113 CG2 ILE A 8 8.171 4.963 10.455 1.00 1.32 C ATOM 114 CD1 ILE A 8 6.467 2.888 12.084 1.00 1.71 C ATOM 0 H ILE A 8 9.341 1.122 10.046 1.00 0.93 H new ATOM 0 HA ILE A 8 6.975 2.649 9.458 1.00 0.94 H new ATOM 0 HB ILE A 8 9.628 3.402 10.619 1.00 1.13 H new ATOM 0 HG12 ILE A 8 8.368 1.893 12.046 1.00 1.44 H new ATOM 0 HG13 ILE A 8 8.415 3.498 12.748 1.00 1.44 H new ATOM 0 HG21 ILE A 8 8.525 5.512 11.327 1.00 1.32 H new ATOM 0 HG22 ILE A 8 8.637 5.369 9.557 1.00 1.32 H new ATOM 0 HG23 ILE A 8 7.088 5.063 10.378 1.00 1.32 H new ATOM 0 HD11 ILE A 8 6.205 2.471 13.056 1.00 1.71 H new ATOM 0 HD12 ILE A 8 6.078 3.904 12.009 1.00 1.71 H new ATOM 0 HD13 ILE A 8 6.031 2.273 11.296 1.00 1.71 H new ATOM 126 N SER A 9 9.626 3.116 7.481 1.00 0.89 N ATOM 127 CA SER A 9 9.996 3.748 6.196 1.00 1.09 C ATOM 128 C SER A 9 9.259 3.184 4.967 1.00 1.25 C ATOM 129 O SER A 9 9.205 3.841 3.925 1.00 1.48 O ATOM 130 CB SER A 9 11.514 3.678 5.987 1.00 1.17 C ATOM 131 OG SER A 9 12.209 4.174 7.122 1.00 1.23 O ATOM 0 H SER A 9 10.368 2.557 7.902 1.00 0.89 H new ATOM 0 HA SER A 9 9.673 4.786 6.277 1.00 1.09 H new ATOM 0 HB2 SER A 9 11.811 2.647 5.797 1.00 1.17 H new ATOM 0 HB3 SER A 9 11.790 4.257 5.106 1.00 1.17 H new ATOM 0 HG SER A 9 13.175 4.117 6.965 1.00 1.23 H new ATOM 137 N LEU A 10 8.641 2.004 5.080 1.00 1.29 N ATOM 138 CA LEU A 10 7.715 1.429 4.092 1.00 1.61 C ATOM 139 C LEU A 10 6.379 2.187 4.029 1.00 1.59 C ATOM 140 O LEU A 10 5.748 2.235 2.973 1.00 1.76 O ATOM 141 CB LEU A 10 7.434 -0.033 4.489 1.00 1.85 C ATOM 142 CG LEU A 10 8.528 -1.030 4.079 1.00 2.16 C ATOM 143 CD1 LEU A 10 8.370 -2.316 4.889 1.00 3.20 C ATOM 144 CD2 LEU A 10 8.473 -1.382 2.593 1.00 1.64 C ATOM 0 H LEU A 10 8.775 1.399 5.890 1.00 1.29 H new ATOM 0 HA LEU A 10 8.182 1.501 3.110 1.00 1.61 H new ATOM 0 HB2 LEU A 10 7.302 -0.083 5.570 1.00 1.85 H new ATOM 0 HB3 LEU A 10 6.491 -0.343 4.038 1.00 1.85 H new ATOM 0 HG LEU A 10 9.488 -0.553 4.277 1.00 2.16 H new ATOM 0 HD11 LEU A 10 9.145 -3.026 4.600 1.00 3.20 H new ATOM 0 HD12 LEU A 10 8.462 -2.090 5.951 1.00 3.20 H new ATOM 0 HD13 LEU A 10 7.390 -2.751 4.694 1.00 3.20 H new ATOM 0 HD21 LEU A 10 9.268 -2.090 2.357 1.00 1.64 H new ATOM 0 HD22 LEU A 10 7.507 -1.830 2.361 1.00 1.64 H new ATOM 0 HD23 LEU A 10 8.605 -0.477 2.000 1.00 1.64 H new ATOM 156 N GLN A 11 5.938 2.777 5.144 1.00 1.46 N ATOM 157 CA GLN A 11 4.672 3.504 5.233 1.00 1.50 C ATOM 158 C GLN A 11 4.803 4.900 4.608 1.00 1.48 C ATOM 159 O GLN A 11 5.754 5.642 4.884 1.00 1.58 O ATOM 160 CB GLN A 11 4.181 3.522 6.685 1.00 1.55 C ATOM 161 CG GLN A 11 3.475 2.204 7.013 1.00 1.58 C ATOM 162 CD GLN A 11 3.147 2.168 8.487 1.00 1.68 C ATOM 163 OE1 GLN A 11 2.169 2.738 8.958 1.00 2.13 O ATOM 164 NE2 GLN A 11 3.989 1.559 9.280 1.00 2.32 N ATOM 0 H GLN A 11 6.459 2.762 6.021 1.00 1.46 H new ATOM 0 HA GLN A 11 3.907 2.990 4.652 1.00 1.50 H new ATOM 0 HB2 GLN A 11 5.023 3.672 7.361 1.00 1.55 H new ATOM 0 HB3 GLN A 11 3.498 4.358 6.837 1.00 1.55 H new ATOM 0 HG2 GLN A 11 2.563 2.110 6.423 1.00 1.58 H new ATOM 0 HG3 GLN A 11 4.113 1.361 6.750 1.00 1.58 H new ATOM 0 HE21 GLN A 11 4.803 1.084 8.891 1.00 2.32 H new ATOM 0 HE22 GLN A 11 3.831 1.559 10.288 1.00 2.32 H new ATOM 173 N ALA A 12 3.853 5.241 3.736 1.00 1.43 N ATOM 174 CA ALA A 12 3.825 6.490 2.978 1.00 1.41 C ATOM 175 C ALA A 12 3.323 7.682 3.816 1.00 1.44 C ATOM 176 O ALA A 12 2.761 7.505 4.901 1.00 2.21 O ATOM 177 CB ALA A 12 2.952 6.263 1.736 1.00 1.42 C ATOM 0 H ALA A 12 3.058 4.636 3.532 1.00 1.43 H new ATOM 0 HA ALA A 12 4.840 6.756 2.684 1.00 1.41 H new ATOM 0 HB1 ALA A 12 2.911 7.180 1.148 1.00 1.42 H new ATOM 0 HB2 ALA A 12 3.380 5.463 1.132 1.00 1.42 H new ATOM 0 HB3 ALA A 12 1.944 5.985 2.045 1.00 1.42 H new ATOM 183 N THR A 13 3.503 8.897 3.295 1.00 1.19 N ATOM 184 CA THR A 13 3.039 10.155 3.914 1.00 1.17 C ATOM 185 C THR A 13 1.826 10.790 3.233 1.00 0.98 C ATOM 186 O THR A 13 1.070 11.511 3.891 1.00 0.96 O ATOM 187 CB THR A 13 4.187 11.174 4.002 1.00 1.35 C ATOM 188 OG1 THR A 13 4.976 11.222 2.832 1.00 1.96 O ATOM 189 CG2 THR A 13 5.152 10.768 5.113 1.00 2.22 C ATOM 0 H THR A 13 3.987 9.045 2.409 1.00 1.19 H new ATOM 0 HA THR A 13 2.708 9.875 4.914 1.00 1.17 H new ATOM 0 HB THR A 13 3.708 12.138 4.172 1.00 1.35 H new ATOM 0 HG1 THR A 13 4.680 11.967 2.268 1.00 1.96 H new ATOM 0 HG21 THR A 13 5.964 11.493 5.172 1.00 2.22 H new ATOM 0 HG22 THR A 13 4.621 10.740 6.064 1.00 2.22 H new ATOM 0 HG23 THR A 13 5.561 9.781 4.897 1.00 2.22 H new ATOM 197 N GLU A 14 1.609 10.527 1.943 1.00 0.92 N ATOM 198 CA GLU A 14 0.509 11.089 1.141 1.00 0.82 C ATOM 199 C GLU A 14 -0.110 10.091 0.139 1.00 0.80 C ATOM 200 O GLU A 14 0.548 9.157 -0.329 1.00 0.89 O ATOM 201 CB GLU A 14 0.947 12.397 0.456 1.00 0.94 C ATOM 202 CG GLU A 14 2.077 12.270 -0.576 1.00 1.14 C ATOM 203 CD GLU A 14 3.410 11.854 0.055 1.00 2.30 C ATOM 204 OE1 GLU A 14 4.009 12.646 0.827 1.00 3.14 O ATOM 205 OE2 GLU A 14 3.845 10.699 -0.154 1.00 3.57 O ATOM 0 H GLU A 14 2.209 9.899 1.407 1.00 0.92 H new ATOM 0 HA GLU A 14 -0.295 11.317 1.841 1.00 0.82 H new ATOM 0 HB2 GLU A 14 0.079 12.834 -0.037 1.00 0.94 H new ATOM 0 HB3 GLU A 14 1.263 13.100 1.227 1.00 0.94 H new ATOM 0 HG2 GLU A 14 1.793 11.537 -1.331 1.00 1.14 H new ATOM 0 HG3 GLU A 14 2.204 13.223 -1.089 1.00 1.14 H new ATOM 212 N ALA A 15 -1.389 10.296 -0.192 1.00 0.73 N ATOM 213 CA ALA A 15 -2.176 9.463 -1.111 1.00 0.75 C ATOM 214 C ALA A 15 -3.117 10.301 -2.006 1.00 0.70 C ATOM 215 O ALA A 15 -3.272 11.509 -1.792 1.00 0.83 O ATOM 216 CB ALA A 15 -2.954 8.440 -0.270 1.00 0.78 C ATOM 0 H ALA A 15 -1.926 11.076 0.187 1.00 0.73 H new ATOM 0 HA ALA A 15 -1.505 8.950 -1.799 1.00 0.75 H new ATOM 0 HB1 ALA A 15 -3.549 7.806 -0.927 1.00 0.78 H new ATOM 0 HB2 ALA A 15 -2.253 7.823 0.292 1.00 0.78 H new ATOM 0 HB3 ALA A 15 -3.613 8.964 0.423 1.00 0.78 H new ATOM 222 N THR A 16 -3.755 9.661 -2.994 1.00 0.59 N ATOM 223 CA THR A 16 -4.738 10.285 -3.905 1.00 0.55 C ATOM 224 C THR A 16 -6.075 9.523 -3.914 1.00 0.48 C ATOM 225 O THR A 16 -6.159 8.419 -4.455 1.00 0.56 O ATOM 226 CB THR A 16 -4.154 10.420 -5.322 1.00 0.70 C ATOM 227 OG1 THR A 16 -3.005 11.249 -5.308 1.00 0.90 O ATOM 228 CG2 THR A 16 -5.119 11.057 -6.323 1.00 0.68 C ATOM 0 H THR A 16 -3.602 8.672 -3.191 1.00 0.59 H new ATOM 0 HA THR A 16 -4.950 11.286 -3.530 1.00 0.55 H new ATOM 0 HB THR A 16 -3.931 9.399 -5.631 1.00 0.70 H new ATOM 0 HG1 THR A 16 -2.644 11.324 -6.216 1.00 0.90 H new ATOM 0 HG21 THR A 16 -4.640 11.120 -7.300 1.00 0.68 H new ATOM 0 HG22 THR A 16 -6.019 10.447 -6.399 1.00 0.68 H new ATOM 0 HG23 THR A 16 -5.386 12.058 -5.984 1.00 0.68 H new ATOM 236 N ILE A 17 -7.128 10.105 -3.322 1.00 0.43 N ATOM 237 CA ILE A 17 -8.487 9.528 -3.242 1.00 0.47 C ATOM 238 C ILE A 17 -9.236 9.806 -4.554 1.00 0.54 C ATOM 239 O ILE A 17 -9.134 10.910 -5.089 1.00 0.63 O ATOM 240 CB ILE A 17 -9.277 10.078 -2.019 1.00 0.48 C ATOM 241 CG1 ILE A 17 -8.507 9.926 -0.683 1.00 0.48 C ATOM 242 CG2 ILE A 17 -10.661 9.402 -1.920 1.00 0.59 C ATOM 243 CD1 ILE A 17 -9.191 10.572 0.531 1.00 0.52 C ATOM 0 H ILE A 17 -7.060 11.017 -2.871 1.00 0.43 H new ATOM 0 HA ILE A 17 -8.398 8.451 -3.099 1.00 0.47 H new ATOM 0 HB ILE A 17 -9.407 11.147 -2.188 1.00 0.48 H new ATOM 0 HG12 ILE A 17 -8.365 8.864 -0.480 1.00 0.48 H new ATOM 0 HG13 ILE A 17 -7.516 10.364 -0.799 1.00 0.48 H new ATOM 0 HG21 ILE A 17 -11.199 9.799 -1.059 1.00 0.59 H new ATOM 0 HG22 ILE A 17 -11.230 9.603 -2.828 1.00 0.59 H new ATOM 0 HG23 ILE A 17 -10.533 8.326 -1.803 1.00 0.59 H new ATOM 0 HD11 ILE A 17 -8.580 10.415 1.420 1.00 0.52 H new ATOM 0 HD12 ILE A 17 -9.308 11.641 0.356 1.00 0.52 H new ATOM 0 HD13 ILE A 17 -10.171 10.119 0.680 1.00 0.52 H new ATOM 255 N VAL A 18 -10.025 8.853 -5.066 1.00 0.57 N ATOM 256 CA VAL A 18 -10.817 9.016 -6.301 1.00 0.70 C ATOM 257 C VAL A 18 -12.289 8.664 -6.063 1.00 0.96 C ATOM 258 O VAL A 18 -12.618 7.559 -5.621 1.00 1.22 O ATOM 259 CB VAL A 18 -10.222 8.198 -7.463 1.00 0.91 C ATOM 260 CG1 VAL A 18 -10.996 8.425 -8.770 1.00 1.46 C ATOM 261 CG2 VAL A 18 -8.744 8.553 -7.676 1.00 1.92 C ATOM 0 H VAL A 18 -10.136 7.936 -4.633 1.00 0.57 H new ATOM 0 HA VAL A 18 -10.771 10.067 -6.588 1.00 0.70 H new ATOM 0 HB VAL A 18 -10.306 7.146 -7.191 1.00 0.91 H new ATOM 0 HG11 VAL A 18 -10.547 7.832 -9.567 1.00 1.46 H new ATOM 0 HG12 VAL A 18 -12.035 8.124 -8.635 1.00 1.46 H new ATOM 0 HG13 VAL A 18 -10.956 9.481 -9.038 1.00 1.46 H new ATOM 0 HG21 VAL A 18 -8.344 7.964 -8.501 1.00 1.92 H new ATOM 0 HG22 VAL A 18 -8.655 9.614 -7.911 1.00 1.92 H new ATOM 0 HG23 VAL A 18 -8.183 8.334 -6.768 1.00 1.92 H new ATOM 271 N THR A 19 -13.169 9.622 -6.361 1.00 1.01 N ATOM 272 CA THR A 19 -14.609 9.580 -6.043 1.00 1.31 C ATOM 273 C THR A 19 -15.447 10.071 -7.231 1.00 1.22 C ATOM 274 O THR A 19 -14.988 10.887 -8.035 1.00 1.11 O ATOM 275 CB THR A 19 -14.880 10.422 -4.782 1.00 1.61 C ATOM 276 OG1 THR A 19 -14.064 9.980 -3.715 1.00 1.91 O ATOM 277 CG2 THR A 19 -16.311 10.344 -4.256 1.00 1.99 C ATOM 0 H THR A 19 -12.897 10.477 -6.845 1.00 1.01 H new ATOM 0 HA THR A 19 -14.902 8.549 -5.846 1.00 1.31 H new ATOM 0 HB THR A 19 -14.673 11.445 -5.097 1.00 1.61 H new ATOM 0 HG1 THR A 19 -14.243 10.523 -2.919 1.00 1.91 H new ATOM 0 HG21 THR A 19 -16.407 10.968 -3.368 1.00 1.99 H new ATOM 0 HG22 THR A 19 -17.000 10.697 -5.023 1.00 1.99 H new ATOM 0 HG23 THR A 19 -16.549 9.311 -4.001 1.00 1.99 H new ATOM 391 N LEU A 27 -15.868 12.461 -12.636 1.00 1.58 N ATOM 392 CA LEU A 27 -14.745 12.055 -11.780 1.00 1.35 C ATOM 393 C LEU A 27 -14.089 13.275 -11.107 1.00 1.28 C ATOM 394 O LEU A 27 -13.898 14.318 -11.739 1.00 1.73 O ATOM 395 CB LEU A 27 -13.705 11.255 -12.596 1.00 1.55 C ATOM 396 CG LEU A 27 -14.030 9.767 -12.838 1.00 1.89 C ATOM 397 CD1 LEU A 27 -15.236 9.524 -13.749 1.00 2.48 C ATOM 398 CD2 LEU A 27 -12.824 9.084 -13.487 1.00 2.32 C ATOM 0 HA LEU A 27 -15.136 11.411 -10.992 1.00 1.35 H new ATOM 0 HB2 LEU A 27 -13.581 11.741 -13.564 1.00 1.55 H new ATOM 0 HB3 LEU A 27 -12.745 11.317 -12.083 1.00 1.55 H new ATOM 0 HG LEU A 27 -14.270 9.358 -11.857 1.00 1.89 H new ATOM 0 HD11 LEU A 27 -15.394 8.452 -13.866 1.00 2.48 H new ATOM 0 HD12 LEU A 27 -16.124 9.975 -13.306 1.00 2.48 H new ATOM 0 HD13 LEU A 27 -15.051 9.972 -14.725 1.00 2.48 H new ATOM 0 HD21 LEU A 27 -13.051 8.032 -13.659 1.00 2.32 H new ATOM 0 HD22 LEU A 27 -12.600 9.567 -14.438 1.00 2.32 H new ATOM 0 HD23 LEU A 27 -11.961 9.166 -12.827 1.00 2.32 H new ATOM 410 N SER A 28 -13.738 13.132 -9.825 1.00 0.97 N ATOM 411 CA SER A 28 -12.984 14.132 -9.056 1.00 0.97 C ATOM 412 C SER A 28 -11.987 13.466 -8.093 1.00 0.84 C ATOM 413 O SER A 28 -12.376 12.598 -7.304 1.00 0.97 O ATOM 414 CB SER A 28 -13.993 15.022 -8.322 1.00 1.13 C ATOM 415 OG SER A 28 -13.361 16.096 -7.650 1.00 1.38 O ATOM 0 H SER A 28 -13.974 12.302 -9.281 1.00 0.97 H new ATOM 0 HA SER A 28 -12.382 14.746 -9.726 1.00 0.97 H new ATOM 0 HB2 SER A 28 -14.716 15.416 -9.036 1.00 1.13 H new ATOM 0 HB3 SER A 28 -14.550 14.422 -7.603 1.00 1.13 H new ATOM 0 HG SER A 28 -14.037 16.641 -7.196 1.00 1.38 H new ATOM 421 N GLU A 29 -10.708 13.867 -8.113 1.00 0.78 N ATOM 422 CA GLU A 29 -9.634 13.277 -7.287 1.00 0.68 C ATOM 423 C GLU A 29 -9.137 14.268 -6.208 1.00 0.69 C ATOM 424 O GLU A 29 -8.951 15.458 -6.488 1.00 0.79 O ATOM 425 CB GLU A 29 -8.448 12.782 -8.156 1.00 0.78 C ATOM 426 CG GLU A 29 -8.836 11.871 -9.340 1.00 0.87 C ATOM 427 CD GLU A 29 -7.649 11.239 -10.106 1.00 1.74 C ATOM 428 OE1 GLU A 29 -6.470 11.358 -9.692 1.00 2.95 O ATOM 429 OE2 GLU A 29 -7.896 10.632 -11.185 1.00 2.40 O ATOM 0 H GLU A 29 -10.380 14.624 -8.713 1.00 0.78 H new ATOM 0 HA GLU A 29 -10.064 12.413 -6.781 1.00 0.68 H new ATOM 0 HB2 GLU A 29 -7.917 13.650 -8.545 1.00 0.78 H new ATOM 0 HB3 GLU A 29 -7.750 12.242 -7.516 1.00 0.78 H new ATOM 0 HG2 GLU A 29 -9.474 11.070 -8.967 1.00 0.87 H new ATOM 0 HG3 GLU A 29 -9.433 12.452 -10.043 1.00 0.87 H new ATOM 436 N GLU A 30 -8.902 13.785 -4.985 1.00 0.65 N ATOM 437 CA GLU A 30 -8.295 14.536 -3.864 1.00 0.65 C ATOM 438 C GLU A 30 -6.861 14.071 -3.607 1.00 0.54 C ATOM 439 O GLU A 30 -6.592 12.876 -3.689 1.00 0.58 O ATOM 440 CB GLU A 30 -9.053 14.337 -2.536 1.00 0.82 C ATOM 441 CG GLU A 30 -10.544 14.647 -2.590 1.00 1.07 C ATOM 442 CD GLU A 30 -11.203 14.458 -1.219 1.00 2.66 C ATOM 443 OE1 GLU A 30 -11.221 15.417 -0.409 1.00 3.46 O ATOM 444 OE2 GLU A 30 -11.727 13.353 -0.951 1.00 4.00 O ATOM 0 H GLU A 30 -9.135 12.825 -4.731 1.00 0.65 H new ATOM 0 HA GLU A 30 -8.335 15.583 -4.166 1.00 0.65 H new ATOM 0 HB2 GLU A 30 -8.924 13.304 -2.213 1.00 0.82 H new ATOM 0 HB3 GLU A 30 -8.594 14.968 -1.775 1.00 0.82 H new ATOM 0 HG2 GLU A 30 -10.692 15.672 -2.929 1.00 1.07 H new ATOM 0 HG3 GLU A 30 -11.026 13.997 -3.320 1.00 1.07 H new ATOM 451 N GLN A 31 -5.961 14.963 -3.187 1.00 0.69 N ATOM 452 CA GLN A 31 -4.632 14.591 -2.690 1.00 0.69 C ATOM 453 C GLN A 31 -4.525 14.921 -1.197 1.00 0.70 C ATOM 454 O GLN A 31 -4.799 16.051 -0.778 1.00 0.79 O ATOM 455 CB GLN A 31 -3.533 15.245 -3.529 1.00 0.83 C ATOM 456 CG GLN A 31 -3.589 14.796 -4.997 1.00 1.06 C ATOM 457 CD GLN A 31 -2.229 14.930 -5.632 1.00 1.29 C ATOM 458 OE1 GLN A 31 -1.784 15.990 -6.056 1.00 1.63 O ATOM 459 NE2 GLN A 31 -1.466 13.867 -5.575 1.00 1.46 N ATOM 0 H GLN A 31 -6.133 15.968 -3.182 1.00 0.69 H new ATOM 0 HA GLN A 31 -4.491 13.515 -2.794 1.00 0.69 H new ATOM 0 HB2 GLN A 31 -3.633 16.329 -3.477 1.00 0.83 H new ATOM 0 HB3 GLN A 31 -2.559 14.994 -3.110 1.00 0.83 H new ATOM 0 HG2 GLN A 31 -3.926 13.761 -5.056 1.00 1.06 H new ATOM 0 HG3 GLN A 31 -4.315 15.399 -5.542 1.00 1.06 H new ATOM 0 HE21 GLN A 31 -1.842 12.988 -5.221 1.00 1.46 H new ATOM 0 HE22 GLN A 31 -0.495 13.919 -5.885 1.00 1.46 H new ATOM 468 N VAL A 32 -4.153 13.932 -0.382 1.00 0.69 N ATOM 469 CA VAL A 32 -4.275 13.995 1.086 1.00 0.72 C ATOM 470 C VAL A 32 -3.065 13.469 1.861 1.00 0.76 C ATOM 471 O VAL A 32 -2.291 12.659 1.354 1.00 0.76 O ATOM 472 CB VAL A 32 -5.531 13.223 1.546 1.00 0.75 C ATOM 473 CG1 VAL A 32 -6.827 13.782 0.942 1.00 0.75 C ATOM 474 CG2 VAL A 32 -5.471 11.716 1.252 1.00 0.76 C ATOM 0 H VAL A 32 -3.755 13.056 -0.719 1.00 0.69 H new ATOM 0 HA VAL A 32 -4.347 15.058 1.315 1.00 0.72 H new ATOM 0 HB VAL A 32 -5.541 13.366 2.627 1.00 0.75 H new ATOM 0 HG11 VAL A 32 -7.676 13.200 1.301 1.00 0.75 H new ATOM 0 HG12 VAL A 32 -6.948 14.823 1.241 1.00 0.75 H new ATOM 0 HG13 VAL A 32 -6.778 13.720 -0.145 1.00 0.75 H new ATOM 0 HG21 VAL A 32 -6.387 11.240 1.603 1.00 0.76 H new ATOM 0 HG22 VAL A 32 -5.368 11.559 0.178 1.00 0.76 H new ATOM 0 HG23 VAL A 32 -4.615 11.279 1.766 1.00 0.76 H new ATOM 484 N ASP A 33 -2.958 13.876 3.129 1.00 0.83 N ATOM 485 CA ASP A 33 -2.036 13.275 4.103 1.00 0.88 C ATOM 486 C ASP A 33 -2.604 11.923 4.565 1.00 0.84 C ATOM 487 O ASP A 33 -3.822 11.747 4.651 1.00 0.81 O ATOM 488 CB ASP A 33 -1.840 14.221 5.303 1.00 0.99 C ATOM 489 CG ASP A 33 -0.814 13.715 6.327 1.00 2.10 C ATOM 490 OD1 ASP A 33 -1.219 13.019 7.291 1.00 3.47 O ATOM 491 OD2 ASP A 33 0.388 14.074 6.223 1.00 2.60 O ATOM 0 H ASP A 33 -3.514 14.640 3.514 1.00 0.83 H new ATOM 0 HA ASP A 33 -1.064 13.114 3.637 1.00 0.88 H new ATOM 0 HB2 ASP A 33 -1.523 15.197 4.937 1.00 0.99 H new ATOM 0 HB3 ASP A 33 -2.798 14.364 5.802 1.00 0.99 H new ATOM 496 N VAL A 34 -1.730 10.965 4.883 1.00 0.86 N ATOM 497 CA VAL A 34 -2.116 9.587 5.246 1.00 0.83 C ATOM 498 C VAL A 34 -2.982 9.478 6.521 1.00 0.86 C ATOM 499 O VAL A 34 -3.558 8.425 6.792 1.00 0.90 O ATOM 500 CB VAL A 34 -0.856 8.699 5.283 1.00 0.87 C ATOM 501 CG1 VAL A 34 0.032 9.041 6.480 1.00 1.01 C ATOM 502 CG2 VAL A 34 -1.153 7.194 5.257 1.00 0.88 C ATOM 0 H VAL A 34 -0.722 11.120 4.898 1.00 0.86 H new ATOM 0 HA VAL A 34 -2.784 9.217 4.468 1.00 0.83 H new ATOM 0 HB VAL A 34 -0.321 8.925 4.360 1.00 0.87 H new ATOM 0 HG11 VAL A 34 0.911 8.397 6.476 1.00 1.01 H new ATOM 0 HG12 VAL A 34 0.345 10.083 6.415 1.00 1.01 H new ATOM 0 HG13 VAL A 34 -0.527 8.887 7.403 1.00 1.01 H new ATOM 0 HG21 VAL A 34 -0.216 6.638 5.286 1.00 0.88 H new ATOM 0 HG22 VAL A 34 -1.760 6.928 6.123 1.00 0.88 H new ATOM 0 HG23 VAL A 34 -1.695 6.946 4.344 1.00 0.88 H new ATOM 512 N GLU A 35 -3.155 10.557 7.293 1.00 0.95 N ATOM 513 CA GLU A 35 -4.131 10.593 8.398 1.00 1.05 C ATOM 514 C GLU A 35 -5.587 10.843 7.939 1.00 1.02 C ATOM 515 O GLU A 35 -6.533 10.539 8.671 1.00 1.14 O ATOM 516 CB GLU A 35 -3.677 11.630 9.437 1.00 1.27 C ATOM 517 CG GLU A 35 -4.359 11.395 10.790 1.00 1.79 C ATOM 518 CD GLU A 35 -3.814 12.325 11.867 1.00 2.33 C ATOM 519 OE1 GLU A 35 -2.661 12.119 12.307 1.00 2.64 O ATOM 520 OE2 GLU A 35 -4.552 13.233 12.323 1.00 3.54 O ATOM 0 H GLU A 35 -2.630 11.424 7.175 1.00 0.95 H new ATOM 0 HA GLU A 35 -4.151 9.601 8.850 1.00 1.05 H new ATOM 0 HB2 GLU A 35 -2.595 11.577 9.558 1.00 1.27 H new ATOM 0 HB3 GLU A 35 -3.909 12.633 9.079 1.00 1.27 H new ATOM 0 HG2 GLU A 35 -5.433 11.548 10.687 1.00 1.79 H new ATOM 0 HG3 GLU A 35 -4.212 10.359 11.096 1.00 1.79 H new ATOM 527 N LEU A 36 -5.799 11.373 6.730 1.00 0.92 N ATOM 528 CA LEU A 36 -7.116 11.793 6.212 1.00 0.95 C ATOM 529 C LEU A 36 -7.802 10.729 5.330 1.00 0.87 C ATOM 530 O LEU A 36 -8.949 10.906 4.903 1.00 0.97 O ATOM 531 CB LEU A 36 -6.953 13.109 5.435 1.00 1.01 C ATOM 532 CG LEU A 36 -6.166 14.230 6.140 1.00 1.13 C ATOM 533 CD1 LEU A 36 -6.094 15.440 5.212 1.00 1.24 C ATOM 534 CD2 LEU A 36 -6.804 14.656 7.461 1.00 1.24 C ATOM 0 H LEU A 36 -5.043 11.528 6.063 1.00 0.92 H new ATOM 0 HA LEU A 36 -7.771 11.933 7.072 1.00 0.95 H new ATOM 0 HB2 LEU A 36 -6.459 12.888 4.489 1.00 1.01 H new ATOM 0 HB3 LEU A 36 -7.946 13.489 5.194 1.00 1.01 H new ATOM 0 HG LEU A 36 -5.173 13.843 6.366 1.00 1.13 H new ATOM 0 HD11 LEU A 36 -5.539 16.241 5.701 1.00 1.24 H new ATOM 0 HD12 LEU A 36 -5.589 15.160 4.288 1.00 1.24 H new ATOM 0 HD13 LEU A 36 -7.103 15.784 4.984 1.00 1.24 H new ATOM 0 HD21 LEU A 36 -6.208 15.448 7.914 1.00 1.24 H new ATOM 0 HD22 LEU A 36 -7.814 15.022 7.276 1.00 1.24 H new ATOM 0 HD23 LEU A 36 -6.846 13.802 8.137 1.00 1.24 H new ATOM 546 N VAL A 37 -7.109 9.621 5.062 1.00 0.77 N ATOM 547 CA VAL A 37 -7.643 8.421 4.408 1.00 0.80 C ATOM 548 C VAL A 37 -8.137 7.436 5.473 1.00 0.95 C ATOM 549 O VAL A 37 -7.538 7.301 6.542 1.00 1.52 O ATOM 550 CB VAL A 37 -6.622 7.812 3.420 1.00 0.78 C ATOM 551 CG1 VAL A 37 -5.227 7.615 4.024 1.00 0.88 C ATOM 552 CG2 VAL A 37 -7.078 6.469 2.844 1.00 1.05 C ATOM 0 H VAL A 37 -6.122 9.530 5.303 1.00 0.77 H new ATOM 0 HA VAL A 37 -8.503 8.689 3.794 1.00 0.80 H new ATOM 0 HB VAL A 37 -6.563 8.554 2.624 1.00 0.78 H new ATOM 0 HG11 VAL A 37 -4.563 7.184 3.274 1.00 0.88 H new ATOM 0 HG12 VAL A 37 -4.832 8.578 4.348 1.00 0.88 H new ATOM 0 HG13 VAL A 37 -5.293 6.943 4.880 1.00 0.88 H new ATOM 0 HG21 VAL A 37 -6.320 6.091 2.158 1.00 1.05 H new ATOM 0 HG22 VAL A 37 -7.221 5.755 3.655 1.00 1.05 H new ATOM 0 HG23 VAL A 37 -8.018 6.603 2.309 1.00 1.05 H new ATOM 562 N GLN A 38 -9.257 6.774 5.193 1.00 0.87 N ATOM 563 CA GLN A 38 -9.951 5.843 6.082 1.00 0.85 C ATOM 564 C GLN A 38 -10.209 4.501 5.393 1.00 0.83 C ATOM 565 O GLN A 38 -10.118 4.374 4.169 1.00 0.87 O ATOM 566 CB GLN A 38 -11.282 6.465 6.516 1.00 0.97 C ATOM 567 CG GLN A 38 -11.108 7.604 7.526 1.00 1.77 C ATOM 568 CD GLN A 38 -12.455 8.156 7.897 1.00 1.92 C ATOM 569 OE1 GLN A 38 -13.023 7.902 8.954 1.00 2.99 O ATOM 570 NE2 GLN A 38 -13.071 8.862 6.997 1.00 1.90 N ATOM 0 H GLN A 38 -9.730 6.877 4.295 1.00 0.87 H new ATOM 0 HA GLN A 38 -9.320 5.657 6.951 1.00 0.85 H new ATOM 0 HB2 GLN A 38 -11.804 6.843 5.637 1.00 0.97 H new ATOM 0 HB3 GLN A 38 -11.913 5.691 6.954 1.00 0.97 H new ATOM 0 HG2 GLN A 38 -10.595 7.240 8.416 1.00 1.77 H new ATOM 0 HG3 GLN A 38 -10.486 8.391 7.099 1.00 1.77 H new ATOM 0 HE21 GLN A 38 -12.608 9.079 6.114 1.00 1.90 H new ATOM 0 HE22 GLN A 38 -14.017 9.199 7.173 1.00 1.90 H new ATOM 579 N ARG A 39 -10.617 3.504 6.184 1.00 0.79 N ATOM 580 CA ARG A 39 -10.818 2.100 5.769 1.00 0.88 C ATOM 581 C ARG A 39 -12.061 1.853 4.885 1.00 1.02 C ATOM 582 O ARG A 39 -12.594 0.745 4.838 1.00 1.94 O ATOM 583 CB ARG A 39 -10.715 1.195 7.014 1.00 0.93 C ATOM 584 CG ARG A 39 -11.958 1.224 7.911 1.00 0.95 C ATOM 585 CD ARG A 39 -11.654 0.865 9.374 1.00 1.16 C ATOM 586 NE ARG A 39 -12.839 1.105 10.218 1.00 1.30 N ATOM 587 CZ ARG A 39 -13.065 0.700 11.454 1.00 1.99 C ATOM 588 NH1 ARG A 39 -12.192 0.058 12.169 1.00 3.16 N ATOM 589 NH2 ARG A 39 -14.217 0.951 11.995 1.00 2.04 N ATOM 0 H ARG A 39 -10.826 3.652 7.171 1.00 0.79 H new ATOM 0 HA ARG A 39 -10.016 1.829 5.082 1.00 0.88 H new ATOM 0 HB2 ARG A 39 -10.537 0.169 6.691 1.00 0.93 H new ATOM 0 HB3 ARG A 39 -9.849 1.500 7.601 1.00 0.93 H new ATOM 0 HG2 ARG A 39 -12.404 2.218 7.872 1.00 0.95 H new ATOM 0 HG3 ARG A 39 -12.698 0.527 7.518 1.00 0.95 H new ATOM 0 HD2 ARG A 39 -11.355 -0.181 9.444 1.00 1.16 H new ATOM 0 HD3 ARG A 39 -10.816 1.461 9.735 1.00 1.16 H new ATOM 0 HE ARG A 39 -13.582 1.657 9.790 1.00 1.30 H new ATOM 0 HH11 ARG A 39 -11.274 -0.158 11.780 1.00 3.16 H new ATOM 0 HH12 ARG A 39 -12.424 -0.230 13.120 1.00 3.16 H new ATOM 0 HH21 ARG A 39 -14.930 1.453 11.466 1.00 2.04 H new ATOM 0 HH22 ARG A 39 -14.410 0.646 12.949 1.00 2.04 H new ATOM 603 N GLY A 40 -12.528 2.893 4.196 1.00 0.83 N ATOM 604 CA GLY A 40 -13.626 2.886 3.227 1.00 0.83 C ATOM 605 C GLY A 40 -13.404 3.825 2.028 1.00 0.80 C ATOM 606 O GLY A 40 -14.354 4.078 1.286 1.00 0.89 O ATOM 0 H GLY A 40 -12.124 3.823 4.306 1.00 0.83 H new ATOM 0 HA2 GLY A 40 -13.767 1.870 2.859 1.00 0.83 H new ATOM 0 HA3 GLY A 40 -14.547 3.172 3.734 1.00 0.83 H new ATOM 610 N ASP A 41 -12.197 4.373 1.829 1.00 0.83 N ATOM 611 CA ASP A 41 -11.830 5.170 0.643 1.00 0.87 C ATOM 612 C ASP A 41 -11.311 4.290 -0.521 1.00 0.63 C ATOM 613 O ASP A 41 -10.923 3.131 -0.321 1.00 0.55 O ATOM 614 CB ASP A 41 -10.776 6.228 1.026 1.00 1.13 C ATOM 615 CG ASP A 41 -11.299 7.365 1.914 1.00 1.58 C ATOM 616 OD1 ASP A 41 -12.365 7.955 1.607 1.00 1.84 O ATOM 617 OD2 ASP A 41 -10.634 7.735 2.904 1.00 2.66 O ATOM 0 H ASP A 41 -11.433 4.275 2.498 1.00 0.83 H new ATOM 0 HA ASP A 41 -12.734 5.666 0.290 1.00 0.87 H new ATOM 0 HB2 ASP A 41 -9.954 5.732 1.542 1.00 1.13 H new ATOM 0 HB3 ASP A 41 -10.365 6.659 0.113 1.00 1.13 H new ATOM 622 N ILE A 42 -11.275 4.849 -1.739 1.00 0.62 N ATOM 623 CA ILE A 42 -10.666 4.239 -2.937 1.00 0.55 C ATOM 624 C ILE A 42 -9.519 5.133 -3.432 1.00 0.51 C ATOM 625 O ILE A 42 -9.720 6.328 -3.658 1.00 0.53 O ATOM 626 CB ILE A 42 -11.723 3.973 -4.037 1.00 0.64 C ATOM 627 CG1 ILE A 42 -12.782 2.965 -3.530 1.00 0.80 C ATOM 628 CG2 ILE A 42 -11.057 3.443 -5.323 1.00 0.67 C ATOM 629 CD1 ILE A 42 -13.977 2.762 -4.470 1.00 1.45 C ATOM 0 H ILE A 42 -11.680 5.766 -1.927 1.00 0.62 H new ATOM 0 HA ILE A 42 -10.254 3.264 -2.676 1.00 0.55 H new ATOM 0 HB ILE A 42 -12.216 4.917 -4.271 1.00 0.64 H new ATOM 0 HG12 ILE A 42 -12.298 2.002 -3.367 1.00 0.80 H new ATOM 0 HG13 ILE A 42 -13.152 3.304 -2.562 1.00 0.80 H new ATOM 0 HG21 ILE A 42 -11.820 3.264 -6.081 1.00 0.67 H new ATOM 0 HG22 ILE A 42 -10.344 4.179 -5.693 1.00 0.67 H new ATOM 0 HG23 ILE A 42 -10.536 2.511 -5.105 1.00 0.67 H new ATOM 0 HD11 ILE A 42 -14.666 2.040 -4.032 1.00 1.45 H new ATOM 0 HD12 ILE A 42 -14.491 3.712 -4.615 1.00 1.45 H new ATOM 0 HD13 ILE A 42 -13.624 2.390 -5.432 1.00 1.45 H new ATOM 641 N ILE A 43 -8.325 4.557 -3.601 1.00 0.49 N ATOM 642 CA ILE A 43 -7.053 5.258 -3.836 1.00 0.52 C ATOM 643 C ILE A 43 -6.434 4.890 -5.193 1.00 0.55 C ATOM 644 O ILE A 43 -6.259 3.707 -5.486 1.00 0.67 O ATOM 645 CB ILE A 43 -6.068 4.898 -2.691 1.00 0.56 C ATOM 646 CG1 ILE A 43 -6.639 5.108 -1.268 1.00 0.62 C ATOM 647 CG2 ILE A 43 -4.733 5.646 -2.833 1.00 0.63 C ATOM 648 CD1 ILE A 43 -7.117 6.532 -0.970 1.00 0.68 C ATOM 0 H ILE A 43 -8.211 3.544 -3.577 1.00 0.49 H new ATOM 0 HA ILE A 43 -7.248 6.330 -3.852 1.00 0.52 H new ATOM 0 HB ILE A 43 -5.899 3.827 -2.803 1.00 0.56 H new ATOM 0 HG12 ILE A 43 -7.473 4.422 -1.122 1.00 0.62 H new ATOM 0 HG13 ILE A 43 -5.873 4.838 -0.541 1.00 0.62 H new ATOM 0 HG21 ILE A 43 -4.071 5.367 -2.013 1.00 0.63 H new ATOM 0 HG22 ILE A 43 -4.267 5.381 -3.782 1.00 0.63 H new ATOM 0 HG23 ILE A 43 -4.913 6.721 -2.805 1.00 0.63 H new ATOM 0 HD11 ILE A 43 -7.500 6.581 0.049 1.00 0.68 H new ATOM 0 HD12 ILE A 43 -6.283 7.226 -1.079 1.00 0.68 H new ATOM 0 HD13 ILE A 43 -7.909 6.804 -1.668 1.00 0.68 H new ATOM 660 N LYS A 44 -6.047 5.876 -6.013 1.00 0.58 N ATOM 661 CA LYS A 44 -5.334 5.658 -7.291 1.00 0.61 C ATOM 662 C LYS A 44 -3.809 5.614 -7.115 1.00 0.64 C ATOM 663 O LYS A 44 -3.226 6.521 -6.514 1.00 0.81 O ATOM 664 CB LYS A 44 -5.793 6.690 -8.320 1.00 0.75 C ATOM 665 CG LYS A 44 -5.165 6.431 -9.697 1.00 1.69 C ATOM 666 CD LYS A 44 -5.688 7.425 -10.730 1.00 2.12 C ATOM 667 CE LYS A 44 -7.068 7.058 -11.284 1.00 1.81 C ATOM 668 NZ LYS A 44 -7.545 8.053 -12.272 1.00 2.12 N ATOM 0 H LYS A 44 -6.219 6.861 -5.811 1.00 0.58 H new ATOM 0 HA LYS A 44 -5.596 4.670 -7.670 1.00 0.61 H new ATOM 0 HB2 LYS A 44 -6.879 6.663 -8.404 1.00 0.75 H new ATOM 0 HB3 LYS A 44 -5.524 7.690 -7.979 1.00 0.75 H new ATOM 0 HG2 LYS A 44 -4.080 6.510 -9.627 1.00 1.69 H new ATOM 0 HG3 LYS A 44 -5.390 5.414 -10.018 1.00 1.69 H new ATOM 0 HD2 LYS A 44 -5.738 8.415 -10.277 1.00 2.12 H new ATOM 0 HD3 LYS A 44 -4.978 7.487 -11.555 1.00 2.12 H new ATOM 0 HE2 LYS A 44 -7.022 6.074 -11.751 1.00 1.81 H new ATOM 0 HE3 LYS A 44 -7.783 6.988 -10.464 1.00 1.81 H new ATOM 0 HZ1 LYS A 44 -8.458 7.745 -12.662 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 -7.661 8.976 -11.807 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 -6.851 8.138 -13.042 1.00 2.12 H new ATOM 682 N VAL A 45 -3.162 4.598 -7.693 1.00 0.54 N ATOM 683 CA VAL A 45 -1.694 4.425 -7.722 1.00 0.53 C ATOM 684 C VAL A 45 -1.120 4.683 -9.125 1.00 0.57 C ATOM 685 O VAL A 45 -1.729 4.291 -10.129 1.00 0.66 O ATOM 686 CB VAL A 45 -1.305 3.039 -7.157 1.00 0.52 C ATOM 687 CG1 VAL A 45 -1.532 1.890 -8.148 1.00 0.64 C ATOM 688 CG2 VAL A 45 0.152 2.968 -6.686 1.00 0.56 C ATOM 0 H VAL A 45 -3.656 3.844 -8.171 1.00 0.54 H new ATOM 0 HA VAL A 45 -1.242 5.176 -7.074 1.00 0.53 H new ATOM 0 HB VAL A 45 -1.973 2.917 -6.304 1.00 0.52 H new ATOM 0 HG11 VAL A 45 -1.238 0.948 -7.686 1.00 0.64 H new ATOM 0 HG12 VAL A 45 -2.587 1.847 -8.420 1.00 0.64 H new ATOM 0 HG13 VAL A 45 -0.933 2.058 -9.043 1.00 0.64 H new ATOM 0 HG21 VAL A 45 0.362 1.970 -6.301 1.00 0.56 H new ATOM 0 HG22 VAL A 45 0.816 3.180 -7.524 1.00 0.56 H new ATOM 0 HG23 VAL A 45 0.316 3.703 -5.898 1.00 0.56 H new ATOM 698 N VAL A 46 0.044 5.335 -9.214 1.00 0.61 N ATOM 699 CA VAL A 46 0.723 5.664 -10.488 1.00 0.65 C ATOM 700 C VAL A 46 1.917 4.736 -10.802 1.00 0.65 C ATOM 701 O VAL A 46 2.471 4.125 -9.882 1.00 0.67 O ATOM 702 CB VAL A 46 1.152 7.149 -10.531 1.00 0.75 C ATOM 703 CG1 VAL A 46 -0.041 8.090 -10.313 1.00 0.84 C ATOM 704 CG2 VAL A 46 2.250 7.514 -9.529 1.00 0.81 C ATOM 0 H VAL A 46 0.556 5.658 -8.393 1.00 0.61 H new ATOM 0 HA VAL A 46 -0.015 5.493 -11.272 1.00 0.65 H new ATOM 0 HB VAL A 46 1.562 7.281 -11.532 1.00 0.75 H new ATOM 0 HG11 VAL A 46 0.300 9.125 -10.350 1.00 0.84 H new ATOM 0 HG12 VAL A 46 -0.783 7.924 -11.094 1.00 0.84 H new ATOM 0 HG13 VAL A 46 -0.489 7.890 -9.340 1.00 0.84 H new ATOM 0 HG21 VAL A 46 2.492 8.572 -9.624 1.00 0.81 H new ATOM 0 HG22 VAL A 46 1.901 7.312 -8.517 1.00 0.81 H new ATOM 0 HG23 VAL A 46 3.140 6.918 -9.732 1.00 0.81 H new ATOM 714 N PRO A 47 2.359 4.635 -12.077 1.00 0.69 N ATOM 715 CA PRO A 47 3.611 3.967 -12.448 1.00 0.76 C ATOM 716 C PRO A 47 4.803 4.463 -11.619 1.00 0.73 C ATOM 717 O PRO A 47 4.912 5.659 -11.341 1.00 0.86 O ATOM 718 CB PRO A 47 3.806 4.260 -13.941 1.00 0.97 C ATOM 719 CG PRO A 47 2.372 4.402 -14.445 1.00 0.91 C ATOM 720 CD PRO A 47 1.697 5.124 -13.280 1.00 0.74 C ATOM 0 HA PRO A 47 3.555 2.897 -12.249 1.00 0.76 H new ATOM 0 HB2 PRO A 47 4.384 5.170 -14.103 1.00 0.97 H new ATOM 0 HB3 PRO A 47 4.335 3.452 -14.447 1.00 0.97 H new ATOM 0 HG2 PRO A 47 2.319 4.979 -15.368 1.00 0.91 H new ATOM 0 HG3 PRO A 47 1.913 3.434 -14.647 1.00 0.91 H new ATOM 0 HD2 PRO A 47 1.804 6.205 -13.374 1.00 0.74 H new ATOM 0 HD3 PRO A 47 0.628 4.911 -13.253 1.00 0.74 H new ATOM 728 N GLY A 48 5.681 3.554 -11.195 1.00 0.75 N ATOM 729 CA GLY A 48 6.814 3.874 -10.317 1.00 0.80 C ATOM 730 C GLY A 48 6.463 4.196 -8.852 1.00 0.85 C ATOM 731 O GLY A 48 7.375 4.351 -8.033 1.00 1.09 O ATOM 0 H GLY A 48 5.629 2.568 -11.451 1.00 0.75 H new ATOM 0 HA2 GLY A 48 7.505 3.031 -10.327 1.00 0.80 H new ATOM 0 HA3 GLY A 48 7.345 4.727 -10.739 1.00 0.80 H new ATOM 735 N GLY A 49 5.175 4.311 -8.509 1.00 0.76 N ATOM 736 CA GLY A 49 4.678 4.640 -7.168 1.00 0.82 C ATOM 737 C GLY A 49 4.713 3.483 -6.161 1.00 0.84 C ATOM 738 O GLY A 49 5.130 2.366 -6.471 1.00 1.17 O ATOM 0 H GLY A 49 4.422 4.172 -9.183 1.00 0.76 H new ATOM 0 HA2 GLY A 49 5.269 5.466 -6.771 1.00 0.82 H new ATOM 0 HA3 GLY A 49 3.651 4.995 -7.255 1.00 0.82 H new ATOM 742 N LYS A 50 4.254 3.751 -4.935 1.00 0.73 N ATOM 743 CA LYS A 50 4.092 2.771 -3.851 1.00 0.78 C ATOM 744 C LYS A 50 2.661 2.720 -3.313 1.00 0.81 C ATOM 745 O LYS A 50 1.932 3.716 -3.326 1.00 1.03 O ATOM 746 CB LYS A 50 5.085 3.043 -2.706 1.00 1.00 C ATOM 747 CG LYS A 50 6.548 2.835 -3.112 1.00 1.24 C ATOM 748 CD LYS A 50 7.268 4.107 -3.570 1.00 1.61 C ATOM 749 CE LYS A 50 8.708 3.765 -3.965 1.00 1.74 C ATOM 750 NZ LYS A 50 9.513 4.979 -4.207 1.00 2.56 N ATOM 0 H LYS A 50 3.974 4.692 -4.657 1.00 0.73 H new ATOM 0 HA LYS A 50 4.310 1.794 -4.283 1.00 0.78 H new ATOM 0 HB2 LYS A 50 4.954 4.067 -2.356 1.00 1.00 H new ATOM 0 HB3 LYS A 50 4.851 2.387 -1.867 1.00 1.00 H new ATOM 0 HG2 LYS A 50 7.090 2.411 -2.266 1.00 1.24 H new ATOM 0 HG3 LYS A 50 6.588 2.101 -3.917 1.00 1.24 H new ATOM 0 HD2 LYS A 50 6.743 4.550 -4.416 1.00 1.61 H new ATOM 0 HD3 LYS A 50 7.265 4.847 -2.770 1.00 1.61 H new ATOM 0 HE2 LYS A 50 9.171 3.173 -3.175 1.00 1.74 H new ATOM 0 HE3 LYS A 50 8.702 3.148 -4.863 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 10.481 4.707 -4.472 1.00 2.56 H new ATOM 0 HZ2 LYS A 50 9.086 5.531 -4.978 1.00 2.56 H new ATOM 0 HZ3 LYS A 50 9.540 5.556 -3.342 1.00 2.56 H new ATOM 764 N PHE A 51 2.280 1.553 -2.798 1.00 0.82 N ATOM 765 CA PHE A 51 0.993 1.329 -2.135 1.00 0.84 C ATOM 766 C PHE A 51 1.028 1.896 -0.697 1.00 0.86 C ATOM 767 O PHE A 51 1.894 1.483 0.078 1.00 0.94 O ATOM 768 CB PHE A 51 0.663 -0.172 -2.162 1.00 0.87 C ATOM 769 CG PHE A 51 0.379 -0.704 -3.558 1.00 0.83 C ATOM 770 CD1 PHE A 51 1.434 -1.098 -4.403 1.00 1.60 C ATOM 771 CD2 PHE A 51 -0.944 -0.782 -4.030 1.00 1.84 C ATOM 772 CE1 PHE A 51 1.179 -1.544 -5.708 1.00 1.57 C ATOM 773 CE2 PHE A 51 -1.205 -1.250 -5.332 1.00 1.87 C ATOM 774 CZ PHE A 51 -0.142 -1.626 -6.173 1.00 0.84 C ATOM 0 H PHE A 51 2.867 0.719 -2.829 1.00 0.82 H new ATOM 0 HA PHE A 51 0.201 1.856 -2.666 1.00 0.84 H new ATOM 0 HB2 PHE A 51 1.497 -0.727 -1.733 1.00 0.87 H new ATOM 0 HB3 PHE A 51 -0.204 -0.357 -1.528 1.00 0.87 H new ATOM 0 HD1 PHE A 51 2.451 -1.056 -4.042 1.00 1.60 H new ATOM 0 HD2 PHE A 51 -1.762 -0.482 -3.392 1.00 1.84 H new ATOM 0 HE1 PHE A 51 1.998 -1.824 -6.354 1.00 1.57 H new ATOM 0 HE2 PHE A 51 -2.223 -1.320 -5.686 1.00 1.87 H new ATOM 0 HZ PHE A 51 -0.342 -1.977 -7.175 1.00 0.84 H new ATOM 784 N PRO A 52 0.132 2.828 -0.307 1.00 0.81 N ATOM 785 CA PRO A 52 0.240 3.547 0.972 1.00 0.79 C ATOM 786 C PRO A 52 -0.439 2.852 2.170 1.00 0.72 C ATOM 787 O PRO A 52 -0.130 3.177 3.312 1.00 0.74 O ATOM 788 CB PRO A 52 -0.381 4.920 0.687 1.00 0.82 C ATOM 789 CG PRO A 52 -1.460 4.619 -0.350 1.00 0.78 C ATOM 790 CD PRO A 52 -0.859 3.474 -1.163 1.00 0.79 C ATOM 0 HA PRO A 52 1.282 3.597 1.288 1.00 0.79 H new ATOM 0 HB2 PRO A 52 -0.804 5.363 1.588 1.00 0.82 H new ATOM 0 HB3 PRO A 52 0.359 5.623 0.303 1.00 0.82 H new ATOM 0 HG2 PRO A 52 -2.399 4.328 0.120 1.00 0.78 H new ATOM 0 HG3 PRO A 52 -1.671 5.487 -0.974 1.00 0.78 H new ATOM 0 HD2 PRO A 52 -1.631 2.766 -1.464 1.00 0.79 H new ATOM 0 HD3 PRO A 52 -0.397 3.849 -2.076 1.00 0.79 H new ATOM 798 N VAL A 53 -1.347 1.904 1.916 1.00 0.67 N ATOM 799 CA VAL A 53 -2.143 1.106 2.877 1.00 0.64 C ATOM 800 C VAL A 53 -2.468 -0.248 2.220 1.00 0.67 C ATOM 801 O VAL A 53 -2.187 -0.422 1.032 1.00 0.71 O ATOM 802 CB VAL A 53 -3.443 1.816 3.326 1.00 0.64 C ATOM 803 CG1 VAL A 53 -3.182 2.879 4.399 1.00 0.71 C ATOM 804 CG2 VAL A 53 -4.195 2.471 2.165 1.00 0.70 C ATOM 0 H VAL A 53 -1.569 1.647 0.954 1.00 0.67 H new ATOM 0 HA VAL A 53 -1.551 0.970 3.782 1.00 0.64 H new ATOM 0 HB VAL A 53 -4.064 1.023 3.743 1.00 0.64 H new ATOM 0 HG11 VAL A 53 -4.124 3.349 4.682 1.00 0.71 H new ATOM 0 HG12 VAL A 53 -2.733 2.410 5.275 1.00 0.71 H new ATOM 0 HG13 VAL A 53 -2.503 3.635 4.005 1.00 0.71 H new ATOM 0 HG21 VAL A 53 -5.097 2.953 2.542 1.00 0.70 H new ATOM 0 HG22 VAL A 53 -3.556 3.217 1.692 1.00 0.70 H new ATOM 0 HG23 VAL A 53 -4.468 1.711 1.433 1.00 0.70 H new ATOM 814 N ASP A 54 -3.022 -1.217 2.960 1.00 0.71 N ATOM 815 CA ASP A 54 -3.430 -2.517 2.398 1.00 0.78 C ATOM 816 C ASP A 54 -4.905 -2.560 1.940 1.00 0.81 C ATOM 817 O ASP A 54 -5.760 -1.816 2.440 1.00 0.95 O ATOM 818 CB ASP A 54 -3.002 -3.689 3.305 1.00 0.90 C ATOM 819 CG ASP A 54 -3.931 -4.023 4.475 1.00 1.01 C ATOM 820 OD1 ASP A 54 -5.091 -4.418 4.234 1.00 2.15 O ATOM 821 OD2 ASP A 54 -3.472 -4.030 5.642 1.00 1.38 O ATOM 0 H ASP A 54 -3.201 -1.126 3.960 1.00 0.71 H new ATOM 0 HA ASP A 54 -2.877 -2.647 1.468 1.00 0.78 H new ATOM 0 HB2 ASP A 54 -2.900 -4.580 2.685 1.00 0.90 H new ATOM 0 HB3 ASP A 54 -2.014 -3.466 3.707 1.00 0.90 H new ATOM 826 N GLY A 55 -5.188 -3.404 0.942 1.00 0.77 N ATOM 827 CA GLY A 55 -6.527 -3.550 0.364 1.00 0.79 C ATOM 828 C GLY A 55 -6.562 -4.361 -0.935 1.00 0.73 C ATOM 829 O GLY A 55 -5.639 -5.117 -1.244 1.00 0.73 O ATOM 0 H GLY A 55 -4.489 -4.009 0.510 1.00 0.77 H new ATOM 0 HA2 GLY A 55 -7.177 -4.029 1.096 1.00 0.79 H new ATOM 0 HA3 GLY A 55 -6.938 -2.559 0.172 1.00 0.79 H new ATOM 833 N ARG A 56 -7.634 -4.199 -1.719 1.00 0.75 N ATOM 834 CA ARG A 56 -7.848 -4.920 -2.988 1.00 0.76 C ATOM 835 C ARG A 56 -7.809 -4.002 -4.207 1.00 0.71 C ATOM 836 O ARG A 56 -8.285 -2.874 -4.167 1.00 0.71 O ATOM 837 CB ARG A 56 -9.147 -5.740 -2.897 1.00 0.96 C ATOM 838 CG ARG A 56 -9.115 -6.992 -3.791 1.00 0.99 C ATOM 839 CD ARG A 56 -10.395 -7.832 -3.712 1.00 1.29 C ATOM 840 NE ARG A 56 -10.817 -8.078 -2.324 1.00 1.63 N ATOM 841 CZ ARG A 56 -10.517 -9.097 -1.546 1.00 2.98 C ATOM 842 NH1 ARG A 56 -9.849 -10.140 -1.939 1.00 3.85 N ATOM 843 NH2 ARG A 56 -10.882 -9.072 -0.304 1.00 4.20 N ATOM 0 H ARG A 56 -8.391 -3.555 -1.490 1.00 0.75 H new ATOM 0 HA ARG A 56 -7.016 -5.608 -3.137 1.00 0.76 H new ATOM 0 HB2 ARG A 56 -9.312 -6.040 -1.862 1.00 0.96 H new ATOM 0 HB3 ARG A 56 -9.990 -5.113 -3.185 1.00 0.96 H new ATOM 0 HG2 ARG A 56 -8.953 -6.687 -4.825 1.00 0.99 H new ATOM 0 HG3 ARG A 56 -8.265 -7.611 -3.505 1.00 0.99 H new ATOM 0 HD2 ARG A 56 -11.195 -7.322 -4.248 1.00 1.29 H new ATOM 0 HD3 ARG A 56 -10.233 -8.786 -4.214 1.00 1.29 H new ATOM 0 HE ARG A 56 -11.420 -7.367 -1.911 1.00 1.63 H new ATOM 0 HH11 ARG A 56 -9.523 -10.203 -2.903 1.00 3.85 H new ATOM 0 HH12 ARG A 56 -9.651 -10.895 -1.283 1.00 3.85 H new ATOM 0 HH21 ARG A 56 -11.395 -8.270 0.061 1.00 4.20 H new ATOM 0 HH22 ARG A 56 -10.656 -9.855 0.310 1.00 4.20 H new ATOM 857 N VAL A 57 -7.264 -4.506 -5.309 1.00 0.72 N ATOM 858 CA VAL A 57 -7.309 -3.909 -6.648 1.00 0.72 C ATOM 859 C VAL A 57 -8.509 -4.508 -7.369 1.00 0.67 C ATOM 860 O VAL A 57 -8.590 -5.728 -7.516 1.00 0.74 O ATOM 861 CB VAL A 57 -6.028 -4.226 -7.447 1.00 0.81 C ATOM 862 CG1 VAL A 57 -6.122 -3.724 -8.896 1.00 0.92 C ATOM 863 CG2 VAL A 57 -4.789 -3.586 -6.814 1.00 1.10 C ATOM 0 H VAL A 57 -6.751 -5.388 -5.296 1.00 0.72 H new ATOM 0 HA VAL A 57 -7.388 -2.825 -6.563 1.00 0.72 H new ATOM 0 HB VAL A 57 -5.934 -5.312 -7.433 1.00 0.81 H new ATOM 0 HG11 VAL A 57 -5.201 -3.966 -9.426 1.00 0.92 H new ATOM 0 HG12 VAL A 57 -6.964 -4.205 -9.394 1.00 0.92 H new ATOM 0 HG13 VAL A 57 -6.268 -2.644 -8.898 1.00 0.92 H new ATOM 0 HG21 VAL A 57 -3.909 -3.833 -7.407 1.00 1.10 H new ATOM 0 HG22 VAL A 57 -4.914 -2.504 -6.784 1.00 1.10 H new ATOM 0 HG23 VAL A 57 -4.662 -3.965 -5.800 1.00 1.10 H new ATOM 873 N ILE A 58 -9.406 -3.655 -7.858 1.00 0.63 N ATOM 874 CA ILE A 58 -10.555 -4.048 -8.698 1.00 0.68 C ATOM 875 C ILE A 58 -10.717 -3.090 -9.893 1.00 0.65 C ATOM 876 O ILE A 58 -11.819 -2.847 -10.384 1.00 0.69 O ATOM 877 CB ILE A 58 -11.842 -4.142 -7.841 1.00 0.81 C ATOM 878 CG1 ILE A 58 -12.005 -2.879 -6.964 1.00 0.90 C ATOM 879 CG2 ILE A 58 -11.829 -5.415 -6.976 1.00 0.85 C ATOM 880 CD1 ILE A 58 -13.429 -2.671 -6.443 1.00 1.12 C ATOM 0 H ILE A 58 -9.362 -2.651 -7.683 1.00 0.63 H new ATOM 0 HA ILE A 58 -10.366 -5.038 -9.112 1.00 0.68 H new ATOM 0 HB ILE A 58 -12.698 -4.201 -8.513 1.00 0.81 H new ATOM 0 HG12 ILE A 58 -11.324 -2.946 -6.116 1.00 0.90 H new ATOM 0 HG13 ILE A 58 -11.708 -2.005 -7.543 1.00 0.90 H new ATOM 0 HG21 ILE A 58 -12.742 -5.461 -6.382 1.00 0.85 H new ATOM 0 HG22 ILE A 58 -11.771 -6.292 -7.620 1.00 0.85 H new ATOM 0 HG23 ILE A 58 -10.965 -5.395 -6.312 1.00 0.85 H new ATOM 0 HD11 ILE A 58 -13.466 -1.766 -5.836 1.00 1.12 H new ATOM 0 HD12 ILE A 58 -14.114 -2.571 -7.285 1.00 1.12 H new ATOM 0 HD13 ILE A 58 -13.723 -3.527 -5.836 1.00 1.12 H new ATOM 892 N GLU A 59 -9.591 -2.592 -10.404 1.00 0.63 N ATOM 893 CA GLU A 59 -9.476 -1.697 -11.560 1.00 0.81 C ATOM 894 C GLU A 59 -7.996 -1.625 -11.977 1.00 0.88 C ATOM 895 O GLU A 59 -7.150 -1.245 -11.162 1.00 0.89 O ATOM 896 CB GLU A 59 -9.992 -0.292 -11.169 1.00 0.94 C ATOM 897 CG GLU A 59 -11.290 0.121 -11.871 1.00 1.82 C ATOM 898 CD GLU A 59 -11.063 0.517 -13.332 1.00 1.64 C ATOM 899 OE1 GLU A 59 -11.025 -0.367 -14.215 1.00 1.96 O ATOM 900 OE2 GLU A 59 -10.987 1.733 -13.628 1.00 2.91 O ATOM 0 H GLU A 59 -8.681 -2.814 -10.000 1.00 0.63 H new ATOM 0 HA GLU A 59 -10.071 -2.070 -12.394 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -10.151 -0.263 -10.091 1.00 0.94 H new ATOM 0 HB3 GLU A 59 -9.220 0.442 -11.397 1.00 0.94 H new ATOM 0 HG2 GLU A 59 -12.002 -0.703 -11.827 1.00 1.82 H new ATOM 0 HG3 GLU A 59 -11.739 0.958 -11.336 1.00 1.82 H new ATOM 907 N GLY A 60 -7.683 -1.966 -13.229 1.00 0.90 N ATOM 908 CA GLY A 60 -6.337 -1.879 -13.805 1.00 0.91 C ATOM 909 C GLY A 60 -5.462 -3.134 -13.677 1.00 0.89 C ATOM 910 O GLY A 60 -5.836 -4.144 -13.076 1.00 0.94 O ATOM 0 H GLY A 60 -8.376 -2.320 -13.888 1.00 0.90 H new ATOM 0 HA2 GLY A 60 -6.432 -1.634 -14.863 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -5.815 -1.048 -13.331 1.00 0.91 H new ATOM 914 N HIS A 61 -4.261 -3.048 -14.260 1.00 0.87 N ATOM 915 CA HIS A 61 -3.282 -4.140 -14.341 1.00 0.89 C ATOM 916 C HIS A 61 -1.827 -3.628 -14.285 1.00 0.89 C ATOM 917 O HIS A 61 -1.438 -2.716 -15.014 1.00 1.28 O ATOM 918 CB HIS A 61 -3.549 -4.992 -15.594 1.00 1.03 C ATOM 919 CG HIS A 61 -3.077 -4.398 -16.900 1.00 1.12 C ATOM 920 ND1 HIS A 61 -3.769 -3.545 -17.732 1.00 2.00 N ATOM 921 CD2 HIS A 61 -1.868 -4.638 -17.496 1.00 1.72 C ATOM 922 CE1 HIS A 61 -3.005 -3.292 -18.806 1.00 2.03 C ATOM 923 NE2 HIS A 61 -1.835 -3.951 -18.718 1.00 2.00 N ATOM 0 H HIS A 61 -3.932 -2.190 -14.703 1.00 0.87 H new ATOM 0 HA HIS A 61 -3.407 -4.773 -13.463 1.00 0.89 H new ATOM 0 HB2 HIS A 61 -3.068 -5.961 -15.462 1.00 1.03 H new ATOM 0 HB3 HIS A 61 -4.621 -5.175 -15.665 1.00 1.03 H new ATOM 0 HD2 HIS A 61 -1.075 -5.251 -17.094 1.00 1.72 H new ATOM 0 HE1 HIS A 61 -3.289 -2.649 -19.626 1.00 2.03 H new ATOM 0 HE2 HIS A 61 -1.078 -3.951 -19.401 1.00 2.00 H new ATOM 931 N SER A 62 -1.024 -4.189 -13.379 1.00 0.71 N ATOM 932 CA SER A 62 0.375 -3.792 -13.129 1.00 0.69 C ATOM 933 C SER A 62 1.267 -4.979 -12.744 1.00 0.83 C ATOM 934 O SER A 62 0.766 -6.085 -12.513 1.00 1.11 O ATOM 935 CB SER A 62 0.383 -2.670 -12.078 1.00 0.61 C ATOM 936 OG SER A 62 1.660 -2.251 -11.662 1.00 1.45 O ATOM 0 H SER A 62 -1.332 -4.954 -12.779 1.00 0.71 H new ATOM 0 HA SER A 62 0.812 -3.414 -14.053 1.00 0.69 H new ATOM 0 HB2 SER A 62 -0.150 -1.810 -12.483 1.00 0.61 H new ATOM 0 HB3 SER A 62 -0.174 -3.008 -11.204 1.00 0.61 H new ATOM 0 HG SER A 62 2.240 -2.144 -12.444 1.00 1.45 H new ATOM 942 N MET A 63 2.580 -4.756 -12.668 1.00 0.79 N ATOM 943 CA MET A 63 3.565 -5.673 -12.099 1.00 0.89 C ATOM 944 C MET A 63 4.197 -5.018 -10.860 1.00 0.84 C ATOM 945 O MET A 63 4.691 -3.888 -10.927 1.00 0.87 O ATOM 946 CB MET A 63 4.574 -6.066 -13.183 1.00 1.02 C ATOM 947 CG MET A 63 5.619 -7.055 -12.667 1.00 1.14 C ATOM 948 SD MET A 63 6.419 -8.034 -13.964 1.00 1.35 S ATOM 949 CE MET A 63 5.152 -9.315 -14.197 1.00 1.35 C ATOM 0 H MET A 63 3.002 -3.895 -13.016 1.00 0.79 H new ATOM 0 HA MET A 63 3.105 -6.601 -11.760 1.00 0.89 H new ATOM 0 HB2 MET A 63 4.044 -6.507 -14.027 1.00 1.02 H new ATOM 0 HB3 MET A 63 5.074 -5.171 -13.553 1.00 1.02 H new ATOM 0 HG2 MET A 63 6.384 -6.505 -12.119 1.00 1.14 H new ATOM 0 HG3 MET A 63 5.143 -7.732 -11.958 1.00 1.14 H new ATOM 0 HE1 MET A 63 5.478 -10.013 -14.968 1.00 1.35 H new ATOM 0 HE2 MET A 63 5.001 -9.852 -13.261 1.00 1.35 H new ATOM 0 HE3 MET A 63 4.215 -8.849 -14.503 1.00 1.35 H new ATOM 959 N VAL A 64 4.148 -5.723 -9.725 1.00 0.84 N ATOM 960 CA VAL A 64 4.467 -5.187 -8.389 1.00 0.81 C ATOM 961 C VAL A 64 5.579 -5.976 -7.693 1.00 0.85 C ATOM 962 O VAL A 64 5.623 -7.205 -7.755 1.00 0.97 O ATOM 963 CB VAL A 64 3.186 -5.119 -7.527 1.00 0.85 C ATOM 964 CG1 VAL A 64 3.430 -4.596 -6.106 1.00 0.85 C ATOM 965 CG2 VAL A 64 2.139 -4.198 -8.176 1.00 0.88 C ATOM 0 H VAL A 64 3.879 -6.707 -9.705 1.00 0.84 H new ATOM 0 HA VAL A 64 4.853 -4.176 -8.518 1.00 0.81 H new ATOM 0 HB VAL A 64 2.833 -6.148 -7.466 1.00 0.85 H new ATOM 0 HG11 VAL A 64 2.487 -4.575 -5.559 1.00 0.85 H new ATOM 0 HG12 VAL A 64 4.133 -5.252 -5.593 1.00 0.85 H new ATOM 0 HG13 VAL A 64 3.843 -3.588 -6.155 1.00 0.85 H new ATOM 0 HG21 VAL A 64 1.246 -4.166 -7.552 1.00 0.88 H new ATOM 0 HG22 VAL A 64 2.550 -3.193 -8.275 1.00 0.88 H new ATOM 0 HG23 VAL A 64 1.878 -4.582 -9.162 1.00 0.88 H new ATOM 975 N ASP A 65 6.461 -5.252 -7.005 1.00 0.82 N ATOM 976 CA ASP A 65 7.588 -5.753 -6.213 1.00 0.87 C ATOM 977 C ASP A 65 7.268 -5.733 -4.709 1.00 0.86 C ATOM 978 O ASP A 65 6.925 -4.692 -4.146 1.00 1.06 O ATOM 979 CB ASP A 65 8.814 -4.888 -6.529 1.00 0.90 C ATOM 980 CG ASP A 65 9.965 -5.076 -5.541 1.00 0.81 C ATOM 981 OD1 ASP A 65 10.355 -6.234 -5.265 1.00 2.10 O ATOM 982 OD2 ASP A 65 10.501 -4.064 -5.040 1.00 1.69 O ATOM 0 H ASP A 65 6.405 -4.234 -6.983 1.00 0.82 H new ATOM 0 HA ASP A 65 7.789 -6.792 -6.475 1.00 0.87 H new ATOM 0 HB2 ASP A 65 9.166 -5.124 -7.533 1.00 0.90 H new ATOM 0 HB3 ASP A 65 8.517 -3.839 -6.533 1.00 0.90 H new ATOM 987 N GLU A 66 7.401 -6.892 -4.063 1.00 0.75 N ATOM 988 CA GLU A 66 7.037 -7.112 -2.654 1.00 0.76 C ATOM 989 C GLU A 66 8.196 -7.677 -1.799 1.00 0.69 C ATOM 990 O GLU A 66 7.968 -8.262 -0.735 1.00 0.78 O ATOM 991 CB GLU A 66 5.808 -8.033 -2.587 1.00 0.93 C ATOM 992 CG GLU A 66 4.590 -7.621 -3.428 1.00 1.05 C ATOM 993 CD GLU A 66 3.358 -8.487 -3.124 1.00 1.11 C ATOM 994 OE1 GLU A 66 3.501 -9.669 -2.732 1.00 1.56 O ATOM 995 OE2 GLU A 66 2.215 -7.982 -3.268 1.00 2.57 O ATOM 0 H GLU A 66 7.774 -7.728 -4.513 1.00 0.75 H new ATOM 0 HA GLU A 66 6.802 -6.139 -2.223 1.00 0.76 H new ATOM 0 HB2 GLU A 66 6.114 -9.032 -2.898 1.00 0.93 H new ATOM 0 HB3 GLU A 66 5.494 -8.106 -1.546 1.00 0.93 H new ATOM 0 HG2 GLU A 66 4.354 -6.575 -3.235 1.00 1.05 H new ATOM 0 HG3 GLU A 66 4.837 -7.702 -4.487 1.00 1.05 H new ATOM 1002 N SER A 67 9.450 -7.526 -2.244 1.00 0.66 N ATOM 1003 CA SER A 67 10.642 -8.187 -1.677 1.00 0.73 C ATOM 1004 C SER A 67 11.015 -7.864 -0.218 1.00 0.72 C ATOM 1005 O SER A 67 11.962 -8.458 0.305 1.00 0.92 O ATOM 1006 CB SER A 67 11.845 -7.907 -2.582 1.00 0.93 C ATOM 1007 OG SER A 67 12.193 -6.532 -2.541 1.00 1.32 O ATOM 0 H SER A 67 9.675 -6.922 -3.034 1.00 0.66 H new ATOM 0 HA SER A 67 10.366 -9.241 -1.642 1.00 0.73 H new ATOM 0 HB2 SER A 67 12.694 -8.512 -2.264 1.00 0.93 H new ATOM 0 HB3 SER A 67 11.612 -8.198 -3.606 1.00 0.93 H new ATOM 0 HG SER A 67 12.964 -6.372 -3.124 1.00 1.32 H new ATOM 1013 N LEU A 68 10.304 -6.956 0.456 1.00 0.86 N ATOM 1014 CA LEU A 68 10.417 -6.709 1.904 1.00 1.01 C ATOM 1015 C LEU A 68 9.202 -7.331 2.627 1.00 1.13 C ATOM 1016 O LEU A 68 9.355 -8.051 3.615 1.00 1.32 O ATOM 1017 CB LEU A 68 10.533 -5.177 2.120 1.00 1.19 C ATOM 1018 CG LEU A 68 11.080 -4.627 3.459 1.00 1.21 C ATOM 1019 CD1 LEU A 68 10.545 -5.325 4.711 1.00 1.44 C ATOM 1020 CD2 LEU A 68 12.603 -4.617 3.545 1.00 1.09 C ATOM 0 H LEU A 68 9.616 -6.355 0.003 1.00 0.86 H new ATOM 0 HA LEU A 68 11.305 -7.179 2.327 1.00 1.01 H new ATOM 0 HB2 LEU A 68 11.166 -4.784 1.324 1.00 1.19 H new ATOM 0 HB3 LEU A 68 9.539 -4.752 1.976 1.00 1.19 H new ATOM 0 HG LEU A 68 10.705 -3.604 3.447 1.00 1.21 H new ATOM 0 HD11 LEU A 68 10.986 -4.870 5.598 1.00 1.44 H new ATOM 0 HD12 LEU A 68 9.461 -5.221 4.750 1.00 1.44 H new ATOM 0 HD13 LEU A 68 10.807 -6.383 4.678 1.00 1.44 H new ATOM 0 HD21 LEU A 68 12.910 -4.218 4.512 1.00 1.09 H new ATOM 0 HD22 LEU A 68 12.980 -5.634 3.435 1.00 1.09 H new ATOM 0 HD23 LEU A 68 13.008 -3.992 2.749 1.00 1.09 H new ATOM 1032 N ILE A 69 7.997 -7.110 2.086 1.00 1.10 N ATOM 1033 CA ILE A 69 6.718 -7.491 2.710 1.00 1.25 C ATOM 1034 C ILE A 69 6.452 -9.001 2.620 1.00 1.40 C ATOM 1035 O ILE A 69 6.272 -9.650 3.654 1.00 1.58 O ATOM 1036 CB ILE A 69 5.537 -6.677 2.130 1.00 1.16 C ATOM 1037 CG1 ILE A 69 5.759 -5.145 2.131 1.00 1.05 C ATOM 1038 CG2 ILE A 69 4.253 -7.030 2.903 1.00 1.41 C ATOM 1039 CD1 ILE A 69 5.836 -4.495 3.517 1.00 1.25 C ATOM 0 H ILE A 69 7.879 -6.651 1.183 1.00 1.10 H new ATOM 0 HA ILE A 69 6.802 -7.246 3.769 1.00 1.25 H new ATOM 0 HB ILE A 69 5.450 -6.957 1.080 1.00 1.16 H new ATOM 0 HG12 ILE A 69 6.683 -4.928 1.594 1.00 1.05 H new ATOM 0 HG13 ILE A 69 4.948 -4.677 1.573 1.00 1.05 H new ATOM 0 HG21 ILE A 69 3.417 -6.460 2.499 1.00 1.41 H new ATOM 0 HG22 ILE A 69 4.048 -8.096 2.801 1.00 1.41 H new ATOM 0 HG23 ILE A 69 4.384 -6.785 3.957 1.00 1.41 H new ATOM 0 HD11 ILE A 69 5.993 -3.422 3.407 1.00 1.25 H new ATOM 0 HD12 ILE A 69 4.904 -4.673 4.054 1.00 1.25 H new ATOM 0 HD13 ILE A 69 6.666 -4.928 4.076 1.00 1.25 H new ATOM 1051 N THR A 70 6.444 -9.565 1.407 1.00 1.38 N ATOM 1052 CA THR A 70 6.212 -11.002 1.132 1.00 1.51 C ATOM 1053 C THR A 70 7.491 -11.735 0.701 1.00 1.65 C ATOM 1054 O THR A 70 7.466 -12.941 0.443 1.00 2.02 O ATOM 1055 CB THR A 70 5.101 -11.203 0.083 1.00 1.48 C ATOM 1056 OG1 THR A 70 5.531 -10.694 -1.150 1.00 1.62 O ATOM 1057 CG2 THR A 70 3.793 -10.503 0.443 1.00 1.51 C ATOM 0 H THR A 70 6.603 -9.023 0.557 1.00 1.38 H new ATOM 0 HA THR A 70 5.886 -11.442 2.074 1.00 1.51 H new ATOM 0 HB THR A 70 4.909 -12.275 0.042 1.00 1.48 H new ATOM 0 HG1 THR A 70 4.760 -10.353 -1.650 1.00 1.62 H new ATOM 0 HG21 THR A 70 3.055 -10.686 -0.338 1.00 1.51 H new ATOM 0 HG22 THR A 70 3.421 -10.891 1.391 1.00 1.51 H new ATOM 0 HG23 THR A 70 3.967 -9.431 0.533 1.00 1.51 H new ATOM 1065 N GLY A 71 8.614 -11.014 0.609 1.00 1.46 N ATOM 1066 CA GLY A 71 9.955 -11.560 0.351 1.00 1.52 C ATOM 1067 C GLY A 71 10.211 -11.989 -1.101 1.00 1.59 C ATOM 1068 O GLY A 71 11.258 -12.561 -1.404 1.00 1.78 O ATOM 0 H GLY A 71 8.616 -10.000 0.715 1.00 1.46 H new ATOM 0 HA2 GLY A 71 10.696 -10.810 0.629 1.00 1.52 H new ATOM 0 HA3 GLY A 71 10.112 -12.420 1.002 1.00 1.52 H new ATOM 1072 N GLU A 72 9.268 -11.721 -2.007 1.00 1.54 N ATOM 1073 CA GLU A 72 9.352 -12.099 -3.419 1.00 1.64 C ATOM 1074 C GLU A 72 10.398 -11.258 -4.173 1.00 1.91 C ATOM 1075 O GLU A 72 10.173 -10.086 -4.482 1.00 3.38 O ATOM 1076 CB GLU A 72 7.965 -11.957 -4.068 1.00 1.56 C ATOM 1077 CG GLU A 72 6.907 -12.922 -3.512 1.00 1.40 C ATOM 1078 CD GLU A 72 7.228 -14.407 -3.744 1.00 1.53 C ATOM 1079 OE1 GLU A 72 7.849 -14.750 -4.782 1.00 2.75 O ATOM 1080 OE2 GLU A 72 6.822 -15.247 -2.898 1.00 1.52 O ATOM 0 H GLU A 72 8.407 -11.225 -1.775 1.00 1.54 H new ATOM 0 HA GLU A 72 9.676 -13.138 -3.480 1.00 1.64 H new ATOM 0 HB2 GLU A 72 7.615 -10.934 -3.931 1.00 1.56 H new ATOM 0 HB3 GLU A 72 8.060 -12.120 -5.142 1.00 1.56 H new ATOM 0 HG2 GLU A 72 6.799 -12.748 -2.441 1.00 1.40 H new ATOM 0 HG3 GLU A 72 5.945 -12.693 -3.971 1.00 1.40 H new ATOM 1087 N ALA A 73 11.545 -11.863 -4.495 1.00 1.42 N ATOM 1088 CA ALA A 73 12.644 -11.203 -5.201 1.00 1.42 C ATOM 1089 C ALA A 73 12.352 -11.023 -6.703 1.00 1.39 C ATOM 1090 O ALA A 73 13.015 -10.221 -7.368 1.00 1.82 O ATOM 1091 CB ALA A 73 13.924 -12.015 -4.967 1.00 1.76 C ATOM 0 H ALA A 73 11.738 -12.839 -4.269 1.00 1.42 H new ATOM 0 HA ALA A 73 12.768 -10.195 -4.804 1.00 1.42 H new ATOM 0 HB1 ALA A 73 14.756 -11.539 -5.486 1.00 1.76 H new ATOM 0 HB2 ALA A 73 14.138 -12.057 -3.899 1.00 1.76 H new ATOM 0 HB3 ALA A 73 13.788 -13.026 -5.350 1.00 1.76 H new ATOM 1097 N MET A 74 11.361 -11.748 -7.230 1.00 1.34 N ATOM 1098 CA MET A 74 10.822 -11.613 -8.580 1.00 1.34 C ATOM 1099 C MET A 74 9.366 -11.099 -8.491 1.00 1.24 C ATOM 1100 O MET A 74 8.613 -11.585 -7.638 1.00 1.38 O ATOM 1101 CB MET A 74 10.963 -12.972 -9.281 1.00 1.60 C ATOM 1102 CG MET A 74 10.719 -12.856 -10.779 1.00 3.07 C ATOM 1103 SD MET A 74 11.114 -14.343 -11.741 1.00 3.68 S ATOM 1104 CE MET A 74 10.443 -13.816 -13.339 1.00 5.40 C ATOM 0 H MET A 74 10.892 -12.481 -6.697 1.00 1.34 H new ATOM 0 HA MET A 74 11.367 -10.881 -9.176 1.00 1.34 H new ATOM 0 HB2 MET A 74 11.961 -13.372 -9.104 1.00 1.60 H new ATOM 0 HB3 MET A 74 10.255 -13.680 -8.850 1.00 1.60 H new ATOM 0 HG2 MET A 74 9.671 -12.604 -10.942 1.00 3.07 H new ATOM 0 HG3 MET A 74 11.310 -12.025 -11.164 1.00 3.07 H new ATOM 0 HE1 MET A 74 10.592 -14.607 -14.075 1.00 5.40 H new ATOM 0 HE2 MET A 74 9.377 -13.611 -13.236 1.00 5.40 H new ATOM 0 HE3 MET A 74 10.956 -12.912 -13.669 1.00 5.40 H new ATOM 1114 N PRO A 75 8.941 -10.137 -9.332 1.00 1.19 N ATOM 1115 CA PRO A 75 7.674 -9.427 -9.144 1.00 1.07 C ATOM 1116 C PRO A 75 6.435 -10.224 -9.582 1.00 1.13 C ATOM 1117 O PRO A 75 6.527 -11.234 -10.290 1.00 1.19 O ATOM 1118 CB PRO A 75 7.839 -8.118 -9.920 1.00 1.12 C ATOM 1119 CG PRO A 75 8.726 -8.539 -11.087 1.00 1.78 C ATOM 1120 CD PRO A 75 9.675 -9.548 -10.445 1.00 1.46 C ATOM 0 HA PRO A 75 7.482 -9.256 -8.085 1.00 1.07 H new ATOM 0 HB2 PRO A 75 6.881 -7.723 -10.259 1.00 1.12 H new ATOM 0 HB3 PRO A 75 8.307 -7.342 -9.314 1.00 1.12 H new ATOM 0 HG2 PRO A 75 8.146 -8.986 -11.895 1.00 1.78 H new ATOM 0 HG3 PRO A 75 9.264 -7.692 -11.512 1.00 1.78 H new ATOM 0 HD2 PRO A 75 9.976 -10.312 -11.162 1.00 1.46 H new ATOM 0 HD3 PRO A 75 10.586 -9.061 -10.097 1.00 1.46 H new ATOM 1128 N VAL A 76 5.264 -9.739 -9.156 1.00 1.17 N ATOM 1129 CA VAL A 76 3.954 -10.405 -9.270 1.00 1.29 C ATOM 1130 C VAL A 76 2.975 -9.558 -10.090 1.00 1.21 C ATOM 1131 O VAL A 76 2.910 -8.338 -9.919 1.00 1.11 O ATOM 1132 CB VAL A 76 3.380 -10.689 -7.861 1.00 1.42 C ATOM 1133 CG1 VAL A 76 2.069 -11.484 -7.915 1.00 1.58 C ATOM 1134 CG2 VAL A 76 4.360 -11.495 -6.996 1.00 1.53 C ATOM 0 H VAL A 76 5.196 -8.829 -8.700 1.00 1.17 H new ATOM 0 HA VAL A 76 4.094 -11.352 -9.792 1.00 1.29 H new ATOM 0 HB VAL A 76 3.203 -9.706 -7.424 1.00 1.42 H new ATOM 0 HG11 VAL A 76 1.707 -11.658 -6.902 1.00 1.58 H new ATOM 0 HG12 VAL A 76 1.324 -10.919 -8.475 1.00 1.58 H new ATOM 0 HG13 VAL A 76 2.244 -12.441 -8.407 1.00 1.58 H new ATOM 0 HG21 VAL A 76 3.918 -11.673 -6.015 1.00 1.53 H new ATOM 0 HG22 VAL A 76 4.570 -12.450 -7.478 1.00 1.53 H new ATOM 0 HG23 VAL A 76 5.288 -10.935 -6.880 1.00 1.53 H new ATOM 1144 N ALA A 77 2.187 -10.188 -10.967 1.00 1.27 N ATOM 1145 CA ALA A 77 1.172 -9.497 -11.766 1.00 1.21 C ATOM 1146 C ALA A 77 -0.154 -9.325 -10.994 1.00 1.16 C ATOM 1147 O ALA A 77 -0.738 -10.297 -10.503 1.00 1.48 O ATOM 1148 CB ALA A 77 0.987 -10.230 -13.099 1.00 1.40 C ATOM 0 H ALA A 77 2.235 -11.192 -11.142 1.00 1.27 H new ATOM 0 HA ALA A 77 1.518 -8.485 -11.978 1.00 1.21 H new ATOM 0 HB1 ALA A 77 0.232 -9.717 -13.695 1.00 1.40 H new ATOM 0 HB2 ALA A 77 1.932 -10.241 -13.642 1.00 1.40 H new ATOM 0 HB3 ALA A 77 0.665 -11.254 -12.910 1.00 1.40 H new ATOM 1154 N LYS A 78 -0.653 -8.087 -10.917 1.00 0.84 N ATOM 1155 CA LYS A 78 -1.953 -7.727 -10.316 1.00 0.81 C ATOM 1156 C LYS A 78 -3.018 -7.567 -11.417 1.00 0.84 C ATOM 1157 O LYS A 78 -2.688 -7.195 -12.546 1.00 0.94 O ATOM 1158 CB LYS A 78 -1.802 -6.453 -9.458 1.00 0.83 C ATOM 1159 CG LYS A 78 -0.715 -6.493 -8.360 1.00 0.81 C ATOM 1160 CD LYS A 78 -0.935 -7.504 -7.218 1.00 0.79 C ATOM 1161 CE LYS A 78 0.220 -7.397 -6.204 1.00 0.85 C ATOM 1162 NZ LYS A 78 -0.005 -8.221 -4.991 1.00 0.89 N ATOM 0 H LYS A 78 -0.151 -7.277 -11.282 1.00 0.84 H new ATOM 0 HA LYS A 78 -2.288 -8.527 -9.656 1.00 0.81 H new ATOM 0 HB2 LYS A 78 -1.587 -5.616 -10.123 1.00 0.83 H new ATOM 0 HB3 LYS A 78 -2.761 -6.244 -8.983 1.00 0.83 H new ATOM 0 HG2 LYS A 78 0.242 -6.714 -8.833 1.00 0.81 H new ATOM 0 HG3 LYS A 78 -0.632 -5.497 -7.924 1.00 0.81 H new ATOM 0 HD2 LYS A 78 -1.886 -7.308 -6.723 1.00 0.79 H new ATOM 0 HD3 LYS A 78 -0.987 -8.516 -7.620 1.00 0.79 H new ATOM 0 HE2 LYS A 78 1.148 -7.708 -6.683 1.00 0.85 H new ATOM 0 HE3 LYS A 78 0.346 -6.354 -5.912 1.00 0.85 H new ATOM 0 HZ1 LYS A 78 0.768 -8.060 -4.314 1.00 0.89 H new ATOM 0 HZ2 LYS A 78 -0.910 -7.955 -4.553 1.00 0.89 H new ATOM 0 HZ3 LYS A 78 -0.031 -9.227 -5.254 1.00 0.89 H new ATOM 1176 N LYS A 79 -4.292 -7.826 -11.106 1.00 0.83 N ATOM 1177 CA LYS A 79 -5.453 -7.709 -12.016 1.00 0.88 C ATOM 1178 C LYS A 79 -6.634 -7.041 -11.271 1.00 0.94 C ATOM 1179 O LYS A 79 -6.512 -6.845 -10.057 1.00 0.98 O ATOM 1180 CB LYS A 79 -5.766 -9.115 -12.585 1.00 0.97 C ATOM 1181 CG LYS A 79 -6.738 -9.951 -11.730 1.00 2.29 C ATOM 1182 CD LYS A 79 -6.917 -11.378 -12.255 1.00 2.38 C ATOM 1183 CE LYS A 79 -7.626 -11.430 -13.616 1.00 2.55 C ATOM 1184 NZ LYS A 79 -7.892 -12.828 -14.021 1.00 2.88 N ATOM 0 H LYS A 79 -4.562 -8.137 -10.173 1.00 0.83 H new ATOM 0 HA LYS A 79 -5.242 -7.061 -12.867 1.00 0.88 H new ATOM 0 HB2 LYS A 79 -6.186 -9.003 -13.584 1.00 0.97 H new ATOM 0 HB3 LYS A 79 -4.831 -9.666 -12.692 1.00 0.97 H new ATOM 0 HG2 LYS A 79 -6.371 -9.990 -10.705 1.00 2.29 H new ATOM 0 HG3 LYS A 79 -7.708 -9.455 -11.702 1.00 2.29 H new ATOM 0 HD2 LYS A 79 -5.940 -11.853 -12.342 1.00 2.38 H new ATOM 0 HD3 LYS A 79 -7.490 -11.957 -11.530 1.00 2.38 H new ATOM 0 HE2 LYS A 79 -8.564 -10.878 -13.563 1.00 2.55 H new ATOM 0 HE3 LYS A 79 -7.010 -10.940 -14.370 1.00 2.55 H new ATOM 0 HZ1 LYS A 79 -8.372 -12.837 -14.944 1.00 2.88 H new ATOM 0 HZ2 LYS A 79 -6.993 -13.346 -14.093 1.00 2.88 H new ATOM 0 HZ3 LYS A 79 -8.499 -13.286 -13.311 1.00 2.88 H new ATOM 1198 N PRO A 80 -7.786 -6.743 -11.907 1.00 1.00 N ATOM 1199 CA PRO A 80 -8.988 -6.257 -11.217 1.00 1.21 C ATOM 1200 C PRO A 80 -9.691 -7.389 -10.430 1.00 1.43 C ATOM 1201 O PRO A 80 -10.796 -7.827 -10.762 1.00 2.49 O ATOM 1202 CB PRO A 80 -9.845 -5.624 -12.319 1.00 1.48 C ATOM 1203 CG PRO A 80 -9.526 -6.501 -13.524 1.00 1.23 C ATOM 1204 CD PRO A 80 -8.041 -6.804 -13.343 1.00 0.99 C ATOM 0 HA PRO A 80 -8.767 -5.520 -10.445 1.00 1.21 H new ATOM 0 HB2 PRO A 80 -10.906 -5.644 -12.071 1.00 1.48 H new ATOM 0 HB3 PRO A 80 -9.578 -4.582 -12.493 1.00 1.48 H new ATOM 0 HG2 PRO A 80 -10.126 -7.411 -13.531 1.00 1.23 H new ATOM 0 HG3 PRO A 80 -9.721 -5.983 -14.463 1.00 1.23 H new ATOM 0 HD2 PRO A 80 -7.793 -7.788 -13.741 1.00 0.99 H new ATOM 0 HD3 PRO A 80 -7.428 -6.079 -13.879 1.00 0.99 H new ATOM 1212 N GLY A 81 -9.014 -7.893 -9.401 1.00 1.28 N ATOM 1213 CA GLY A 81 -9.412 -9.013 -8.543 1.00 1.35 C ATOM 1214 C GLY A 81 -8.261 -9.528 -7.663 1.00 1.07 C ATOM 1215 O GLY A 81 -8.208 -10.726 -7.369 1.00 1.18 O ATOM 0 H GLY A 81 -8.112 -7.506 -9.124 1.00 1.28 H new ATOM 0 HA2 GLY A 81 -10.239 -8.700 -7.905 1.00 1.35 H new ATOM 0 HA3 GLY A 81 -9.780 -9.829 -9.165 1.00 1.35 H new ATOM 1219 N SER A 82 -7.317 -8.656 -7.279 1.00 0.85 N ATOM 1220 CA SER A 82 -6.045 -9.015 -6.613 1.00 0.75 C ATOM 1221 C SER A 82 -5.854 -8.224 -5.319 1.00 0.74 C ATOM 1222 O SER A 82 -6.280 -7.077 -5.240 1.00 0.86 O ATOM 1223 CB SER A 82 -4.838 -8.692 -7.509 1.00 0.62 C ATOM 1224 OG SER A 82 -4.753 -9.515 -8.655 1.00 1.82 O ATOM 0 H SER A 82 -7.415 -7.651 -7.425 1.00 0.85 H new ATOM 0 HA SER A 82 -6.101 -10.084 -6.408 1.00 0.75 H new ATOM 0 HB2 SER A 82 -4.897 -7.650 -7.823 1.00 0.62 H new ATOM 0 HB3 SER A 82 -3.923 -8.798 -6.926 1.00 0.62 H new ATOM 0 HG SER A 82 -3.847 -9.882 -8.728 1.00 1.82 H new ATOM 1230 N THR A 83 -5.158 -8.775 -4.327 1.00 0.78 N ATOM 1231 CA THR A 83 -4.856 -8.088 -3.055 1.00 0.78 C ATOM 1232 C THR A 83 -3.451 -7.477 -3.034 1.00 0.75 C ATOM 1233 O THR A 83 -2.530 -7.955 -3.707 1.00 0.76 O ATOM 1234 CB THR A 83 -5.123 -8.996 -1.843 1.00 0.88 C ATOM 1235 OG1 THR A 83 -4.612 -10.295 -2.056 1.00 1.15 O ATOM 1236 CG2 THR A 83 -6.628 -9.136 -1.614 1.00 0.94 C ATOM 0 H THR A 83 -4.780 -9.721 -4.376 1.00 0.78 H new ATOM 0 HA THR A 83 -5.546 -7.247 -2.979 1.00 0.78 H new ATOM 0 HB THR A 83 -4.634 -8.537 -0.983 1.00 0.88 H new ATOM 0 HG1 THR A 83 -4.794 -10.851 -1.270 1.00 1.15 H new ATOM 0 HG21 THR A 83 -6.807 -9.781 -0.754 1.00 0.94 H new ATOM 0 HG22 THR A 83 -7.061 -8.153 -1.427 1.00 0.94 H new ATOM 0 HG23 THR A 83 -7.091 -9.574 -2.498 1.00 0.94 H new ATOM 1244 N VAL A 84 -3.300 -6.367 -2.308 1.00 0.76 N ATOM 1245 CA VAL A 84 -2.084 -5.540 -2.244 1.00 0.80 C ATOM 1246 C VAL A 84 -1.808 -5.044 -0.822 1.00 0.82 C ATOM 1247 O VAL A 84 -2.727 -4.786 -0.046 1.00 0.86 O ATOM 1248 CB VAL A 84 -2.145 -4.341 -3.220 1.00 0.87 C ATOM 1249 CG1 VAL A 84 -2.113 -4.806 -4.681 1.00 0.93 C ATOM 1250 CG2 VAL A 84 -3.384 -3.456 -3.034 1.00 0.89 C ATOM 0 H VAL A 84 -4.051 -6.001 -1.723 1.00 0.76 H new ATOM 0 HA VAL A 84 -1.261 -6.185 -2.550 1.00 0.80 H new ATOM 0 HB VAL A 84 -1.261 -3.748 -2.983 1.00 0.87 H new ATOM 0 HG11 VAL A 84 -2.157 -3.939 -5.340 1.00 0.93 H new ATOM 0 HG12 VAL A 84 -1.191 -5.357 -4.867 1.00 0.93 H new ATOM 0 HG13 VAL A 84 -2.968 -5.454 -4.876 1.00 0.93 H new ATOM 0 HG21 VAL A 84 -3.357 -2.637 -3.753 1.00 0.89 H new ATOM 0 HG22 VAL A 84 -4.283 -4.051 -3.195 1.00 0.89 H new ATOM 0 HG23 VAL A 84 -3.393 -3.051 -2.022 1.00 0.89 H new ATOM 1260 N ILE A 85 -0.525 -4.885 -0.494 1.00 0.82 N ATOM 1261 CA ILE A 85 -0.030 -4.488 0.836 1.00 0.85 C ATOM 1262 C ILE A 85 0.865 -3.245 0.782 1.00 0.79 C ATOM 1263 O ILE A 85 1.578 -2.999 -0.197 1.00 1.02 O ATOM 1264 CB ILE A 85 0.655 -5.657 1.594 1.00 1.02 C ATOM 1265 CG1 ILE A 85 1.364 -6.713 0.714 1.00 1.38 C ATOM 1266 CG2 ILE A 85 -0.378 -6.391 2.459 1.00 1.25 C ATOM 1267 CD1 ILE A 85 2.471 -6.141 -0.173 1.00 0.87 C ATOM 0 H ILE A 85 0.228 -5.033 -1.166 1.00 0.82 H new ATOM 0 HA ILE A 85 -0.914 -4.217 1.413 1.00 0.85 H new ATOM 0 HB ILE A 85 1.435 -5.172 2.181 1.00 1.02 H new ATOM 0 HG12 ILE A 85 1.790 -7.482 1.359 1.00 1.38 H new ATOM 0 HG13 ILE A 85 0.622 -7.202 0.082 1.00 1.38 H new ATOM 0 HG21 ILE A 85 0.108 -7.210 2.989 1.00 1.25 H new ATOM 0 HG22 ILE A 85 -0.808 -5.696 3.181 1.00 1.25 H new ATOM 0 HG23 ILE A 85 -1.169 -6.788 1.823 1.00 1.25 H new ATOM 0 HD11 ILE A 85 2.919 -6.944 -0.759 1.00 0.87 H new ATOM 0 HD12 ILE A 85 2.049 -5.393 -0.845 1.00 0.87 H new ATOM 0 HD13 ILE A 85 3.235 -5.678 0.452 1.00 0.87 H new ATOM 1279 N ALA A 86 0.818 -2.464 1.863 1.00 0.71 N ATOM 1280 CA ALA A 86 1.533 -1.201 1.991 1.00 0.69 C ATOM 1281 C ALA A 86 3.059 -1.374 1.871 1.00 0.74 C ATOM 1282 O ALA A 86 3.625 -2.348 2.365 1.00 0.75 O ATOM 1283 CB ALA A 86 1.144 -0.545 3.320 1.00 0.75 C ATOM 0 H ALA A 86 0.269 -2.701 2.689 1.00 0.71 H new ATOM 0 HA ALA A 86 1.243 -0.552 1.165 1.00 0.69 H new ATOM 0 HB1 ALA A 86 1.673 0.402 3.427 1.00 0.75 H new ATOM 0 HB2 ALA A 86 0.069 -0.364 3.335 1.00 0.75 H new ATOM 0 HB3 ALA A 86 1.412 -1.206 4.144 1.00 0.75 H new ATOM 1289 N GLY A 87 3.726 -0.420 1.219 1.00 0.81 N ATOM 1290 CA GLY A 87 5.177 -0.429 1.017 1.00 0.92 C ATOM 1291 C GLY A 87 5.682 -1.314 -0.132 1.00 1.01 C ATOM 1292 O GLY A 87 6.892 -1.391 -0.345 1.00 1.23 O ATOM 0 H GLY A 87 3.267 0.394 0.810 1.00 0.81 H new ATOM 0 HA2 GLY A 87 5.507 0.594 0.836 1.00 0.92 H new ATOM 0 HA3 GLY A 87 5.652 -0.758 1.941 1.00 0.92 H new ATOM 1296 N SER A 88 4.791 -1.965 -0.890 1.00 0.91 N ATOM 1297 CA SER A 88 5.151 -2.631 -2.154 1.00 0.93 C ATOM 1298 C SER A 88 5.271 -1.612 -3.304 1.00 0.80 C ATOM 1299 O SER A 88 4.659 -0.538 -3.247 1.00 0.75 O ATOM 1300 CB SER A 88 4.206 -3.797 -2.470 1.00 0.98 C ATOM 1301 OG SER A 88 2.840 -3.429 -2.569 1.00 1.64 O ATOM 0 H SER A 88 3.803 -2.046 -0.648 1.00 0.91 H new ATOM 0 HA SER A 88 6.139 -3.076 -2.035 1.00 0.93 H new ATOM 0 HB2 SER A 88 4.516 -4.256 -3.409 1.00 0.98 H new ATOM 0 HB3 SER A 88 4.311 -4.555 -1.694 1.00 0.98 H new ATOM 0 HG SER A 88 2.471 -3.297 -1.671 1.00 1.64 H new ATOM 1307 N ILE A 89 6.081 -1.917 -4.328 1.00 0.78 N ATOM 1308 CA ILE A 89 6.485 -0.960 -5.379 1.00 0.72 C ATOM 1309 C ILE A 89 5.907 -1.311 -6.757 1.00 0.67 C ATOM 1310 O ILE A 89 6.016 -2.446 -7.222 1.00 0.75 O ATOM 1311 CB ILE A 89 8.025 -0.804 -5.489 1.00 0.84 C ATOM 1312 CG1 ILE A 89 8.840 -1.041 -4.195 1.00 0.96 C ATOM 1313 CG2 ILE A 89 8.335 0.581 -6.091 1.00 0.91 C ATOM 1314 CD1 ILE A 89 8.595 -0.054 -3.050 1.00 1.01 C ATOM 0 H ILE A 89 6.481 -2.846 -4.455 1.00 0.78 H new ATOM 0 HA ILE A 89 6.064 -0.006 -5.062 1.00 0.72 H new ATOM 0 HB ILE A 89 8.358 -1.614 -6.138 1.00 0.84 H new ATOM 0 HG12 ILE A 89 8.623 -2.046 -3.833 1.00 0.96 H new ATOM 0 HG13 ILE A 89 9.900 -1.015 -4.448 1.00 0.96 H new ATOM 0 HG21 ILE A 89 9.414 0.708 -6.176 1.00 0.91 H new ATOM 0 HG22 ILE A 89 7.882 0.658 -7.079 1.00 0.91 H new ATOM 0 HG23 ILE A 89 7.928 1.358 -5.444 1.00 0.91 H new ATOM 0 HD11 ILE A 89 9.221 -0.321 -2.199 1.00 1.01 H new ATOM 0 HD12 ILE A 89 8.843 0.955 -3.380 1.00 1.01 H new ATOM 0 HD13 ILE A 89 7.546 -0.092 -2.755 1.00 1.01 H new ATOM 1326 N ASN A 90 5.339 -0.322 -7.442 1.00 0.68 N ATOM 1327 CA ASN A 90 4.805 -0.422 -8.800 1.00 0.85 C ATOM 1328 C ASN A 90 5.916 -0.227 -9.855 1.00 1.10 C ATOM 1329 O ASN A 90 6.710 0.711 -9.752 1.00 1.25 O ATOM 1330 CB ASN A 90 3.693 0.643 -8.902 1.00 1.09 C ATOM 1331 CG ASN A 90 2.891 0.615 -10.190 1.00 1.42 C ATOM 1332 OD1 ASN A 90 3.417 0.591 -11.291 1.00 2.95 O ATOM 1333 ND2 ASN A 90 1.585 0.643 -10.081 1.00 0.50 N ATOM 0 H ASN A 90 5.233 0.613 -7.049 1.00 0.68 H new ATOM 0 HA ASN A 90 4.398 -1.413 -9.001 1.00 0.85 H new ATOM 0 HB2 ASN A 90 3.009 0.513 -8.063 1.00 1.09 H new ATOM 0 HB3 ASN A 90 4.145 1.629 -8.795 1.00 1.09 H new ATOM 0 HD21 ASN A 90 1.003 0.645 -10.919 1.00 0.50 H new ATOM 0 HD22 ASN A 90 1.151 0.663 -9.158 1.00 0.50 H new ATOM 1340 N GLN A 91 5.969 -1.083 -10.881 1.00 1.25 N ATOM 1341 CA GLN A 91 6.808 -0.865 -12.061 1.00 1.42 C ATOM 1342 C GLN A 91 6.091 0.067 -13.054 1.00 1.87 C ATOM 1343 O GLN A 91 6.437 1.242 -13.198 1.00 3.48 O ATOM 1344 CB GLN A 91 7.185 -2.229 -12.674 1.00 1.41 C ATOM 1345 CG GLN A 91 8.091 -2.097 -13.906 1.00 1.93 C ATOM 1346 CD GLN A 91 9.444 -1.494 -13.550 1.00 2.56 C ATOM 1347 OE1 GLN A 91 9.689 -0.304 -13.729 1.00 2.92 O ATOM 1348 NE2 GLN A 91 10.345 -2.276 -13.000 1.00 3.98 N ATOM 0 H GLN A 91 5.430 -1.948 -10.915 1.00 1.25 H new ATOM 0 HA GLN A 91 7.736 -0.365 -11.784 1.00 1.42 H new ATOM 0 HB2 GLN A 91 7.690 -2.834 -11.921 1.00 1.41 H new ATOM 0 HB3 GLN A 91 6.275 -2.761 -12.953 1.00 1.41 H new ATOM 0 HG2 GLN A 91 8.238 -3.079 -14.356 1.00 1.93 H new ATOM 0 HG3 GLN A 91 7.600 -1.473 -14.653 1.00 1.93 H new ATOM 0 HE21 GLN A 91 10.140 -3.264 -12.852 1.00 3.98 H new ATOM 0 HE22 GLN A 91 11.249 -1.895 -12.721 1.00 3.98 H new ATOM 1357 N ASN A 92 5.063 -0.456 -13.719 1.00 1.16 N ATOM 1358 CA ASN A 92 4.129 0.240 -14.598 1.00 1.55 C ATOM 1359 C ASN A 92 2.738 -0.395 -14.408 1.00 1.46 C ATOM 1360 O ASN A 92 2.636 -1.545 -13.978 1.00 3.04 O ATOM 1361 CB ASN A 92 4.669 0.152 -16.035 1.00 2.53 C ATOM 1362 CG ASN A 92 3.723 0.733 -17.069 1.00 3.06 C ATOM 1363 OD1 ASN A 92 3.516 1.936 -17.169 1.00 3.99 O ATOM 1364 ND2 ASN A 92 3.074 -0.100 -17.837 1.00 2.93 N ATOM 0 H ASN A 92 4.846 -1.450 -13.652 1.00 1.16 H new ATOM 0 HA ASN A 92 4.030 1.300 -14.364 1.00 1.55 H new ATOM 0 HB2 ASN A 92 5.623 0.677 -16.090 1.00 2.53 H new ATOM 0 HB3 ASN A 92 4.865 -0.892 -16.279 1.00 2.53 H new ATOM 0 HD21 ASN A 92 2.399 0.252 -18.516 1.00 2.93 H new ATOM 0 HD22 ASN A 92 3.242 -1.103 -17.758 1.00 2.93 H new ATOM 1371 N GLY A 93 1.663 0.338 -14.702 1.00 0.97 N ATOM 1372 CA GLY A 93 0.263 -0.039 -14.546 1.00 1.21 C ATOM 1373 C GLY A 93 -0.434 0.797 -13.472 1.00 1.20 C ATOM 1374 O GLY A 93 -0.166 0.623 -12.286 1.00 1.98 O ATOM 0 H GLY A 93 1.759 1.279 -15.083 1.00 0.97 H new ATOM 0 HA2 GLY A 93 -0.255 0.086 -15.497 1.00 1.21 H new ATOM 0 HA3 GLY A 93 0.198 -1.095 -14.284 1.00 1.21 H new ATOM 1378 N SER A 94 -1.324 1.718 -13.858 1.00 0.80 N ATOM 1379 CA SER A 94 -2.088 2.526 -12.894 1.00 0.81 C ATOM 1380 C SER A 94 -3.361 1.797 -12.461 1.00 0.74 C ATOM 1381 O SER A 94 -4.146 1.357 -13.305 1.00 0.94 O ATOM 1382 CB SER A 94 -2.412 3.915 -13.451 1.00 1.18 C ATOM 1383 OG SER A 94 -3.088 4.688 -12.469 1.00 2.20 O ATOM 0 H SER A 94 -1.535 1.925 -14.834 1.00 0.80 H new ATOM 0 HA SER A 94 -1.460 2.668 -12.014 1.00 0.81 H new ATOM 0 HB2 SER A 94 -1.493 4.418 -13.752 1.00 1.18 H new ATOM 0 HB3 SER A 94 -3.032 3.823 -14.343 1.00 1.18 H new ATOM 0 HG SER A 94 -2.691 4.519 -11.589 1.00 2.20 H new ATOM 1389 N LEU A 95 -3.575 1.667 -11.151 1.00 0.64 N ATOM 1390 CA LEU A 95 -4.666 0.885 -10.552 1.00 0.63 C ATOM 1391 C LEU A 95 -5.493 1.729 -9.572 1.00 0.62 C ATOM 1392 O LEU A 95 -5.006 2.744 -9.068 1.00 0.60 O ATOM 1393 CB LEU A 95 -4.102 -0.320 -9.768 1.00 0.57 C ATOM 1394 CG LEU A 95 -2.881 -1.071 -10.312 1.00 0.71 C ATOM 1395 CD1 LEU A 95 -2.415 -2.097 -9.277 1.00 0.69 C ATOM 1396 CD2 LEU A 95 -3.234 -1.808 -11.589 1.00 0.97 C ATOM 0 H LEU A 95 -2.979 2.114 -10.455 1.00 0.64 H new ATOM 0 HA LEU A 95 -5.299 0.550 -11.374 1.00 0.63 H new ATOM 0 HB2 LEU A 95 -3.850 0.031 -8.767 1.00 0.57 H new ATOM 0 HB3 LEU A 95 -4.909 -1.045 -9.658 1.00 0.57 H new ATOM 0 HG LEU A 95 -2.093 -0.346 -10.517 1.00 0.71 H new ATOM 0 HD11 LEU A 95 -1.547 -2.633 -9.661 1.00 0.69 H new ATOM 0 HD12 LEU A 95 -2.146 -1.585 -8.353 1.00 0.69 H new ATOM 0 HD13 LEU A 95 -3.220 -2.805 -9.079 1.00 0.69 H new ATOM 0 HD21 LEU A 95 -2.355 -2.335 -11.960 1.00 0.97 H new ATOM 0 HD22 LEU A 95 -4.029 -2.526 -11.387 1.00 0.97 H new ATOM 0 HD23 LEU A 95 -3.572 -1.094 -12.340 1.00 0.97 H new ATOM 1408 N LEU A 96 -6.701 1.265 -9.237 1.00 0.68 N ATOM 1409 CA LEU A 96 -7.495 1.804 -8.125 1.00 0.70 C ATOM 1410 C LEU A 96 -7.654 0.726 -7.040 1.00 0.57 C ATOM 1411 O LEU A 96 -8.079 -0.399 -7.321 1.00 0.63 O ATOM 1412 CB LEU A 96 -8.854 2.368 -8.580 1.00 1.01 C ATOM 1413 CG LEU A 96 -8.810 3.724 -9.315 1.00 1.39 C ATOM 1414 CD1 LEU A 96 -8.311 3.621 -10.757 1.00 1.90 C ATOM 1415 CD2 LEU A 96 -10.218 4.322 -9.368 1.00 1.95 C ATOM 0 H LEU A 96 -7.160 0.500 -9.732 1.00 0.68 H new ATOM 0 HA LEU A 96 -6.956 2.653 -7.705 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -9.328 1.637 -9.235 1.00 1.01 H new ATOM 0 HB3 LEU A 96 -9.494 2.472 -7.704 1.00 1.01 H new ATOM 0 HG LEU A 96 -8.113 4.346 -8.754 1.00 1.39 H new ATOM 0 HD11 LEU A 96 -8.306 4.611 -11.212 1.00 1.90 H new ATOM 0 HD12 LEU A 96 -7.300 3.214 -10.764 1.00 1.90 H new ATOM 0 HD13 LEU A 96 -8.971 2.964 -11.324 1.00 1.90 H new ATOM 0 HD21 LEU A 96 -10.187 5.280 -9.887 1.00 1.95 H new ATOM 0 HD22 LEU A 96 -10.882 3.642 -9.901 1.00 1.95 H new ATOM 0 HD23 LEU A 96 -10.589 4.471 -8.354 1.00 1.95 H new ATOM 1427 N ILE A 97 -7.295 1.084 -5.806 1.00 0.48 N ATOM 1428 CA ILE A 97 -7.272 0.208 -4.632 1.00 0.42 C ATOM 1429 C ILE A 97 -8.374 0.609 -3.649 1.00 0.38 C ATOM 1430 O ILE A 97 -8.406 1.755 -3.201 1.00 0.39 O ATOM 1431 CB ILE A 97 -5.892 0.252 -3.926 1.00 0.45 C ATOM 1432 CG1 ILE A 97 -4.698 -0.054 -4.855 1.00 0.65 C ATOM 1433 CG2 ILE A 97 -5.849 -0.779 -2.780 1.00 0.51 C ATOM 1434 CD1 ILE A 97 -4.171 1.124 -5.683 1.00 1.28 C ATOM 0 H ILE A 97 -6.999 2.035 -5.587 1.00 0.48 H new ATOM 0 HA ILE A 97 -7.449 -0.812 -4.972 1.00 0.42 H new ATOM 0 HB ILE A 97 -5.791 1.276 -3.567 1.00 0.45 H new ATOM 0 HG12 ILE A 97 -3.880 -0.440 -4.247 1.00 0.65 H new ATOM 0 HG13 ILE A 97 -4.990 -0.851 -5.539 1.00 0.65 H new ATOM 0 HG21 ILE A 97 -4.875 -0.739 -2.291 1.00 0.51 H new ATOM 0 HG22 ILE A 97 -6.629 -0.549 -2.054 1.00 0.51 H new ATOM 0 HG23 ILE A 97 -6.012 -1.778 -3.183 1.00 0.51 H new ATOM 0 HD11 ILE A 97 -3.334 0.792 -6.297 1.00 1.28 H new ATOM 0 HD12 ILE A 97 -4.966 1.501 -6.327 1.00 1.28 H new ATOM 0 HD13 ILE A 97 -3.838 1.918 -5.015 1.00 1.28 H new ATOM 1446 N CYS A 98 -9.241 -0.323 -3.253 1.00 0.43 N ATOM 1447 CA CYS A 98 -10.178 -0.113 -2.150 1.00 0.45 C ATOM 1448 C CYS A 98 -9.505 -0.491 -0.816 1.00 0.56 C ATOM 1449 O CYS A 98 -9.246 -1.664 -0.530 1.00 0.77 O ATOM 1450 CB CYS A 98 -11.510 -0.824 -2.429 1.00 0.61 C ATOM 1451 SG CYS A 98 -11.326 -2.592 -2.799 1.00 1.52 S ATOM 0 H CYS A 98 -9.313 -1.243 -3.687 1.00 0.43 H new ATOM 0 HA CYS A 98 -10.438 0.942 -2.063 1.00 0.45 H new ATOM 0 HB2 CYS A 98 -12.162 -0.708 -1.563 1.00 0.61 H new ATOM 0 HB3 CYS A 98 -12.004 -0.335 -3.268 1.00 0.61 H new ATOM 0 HG CYS A 98 -10.101 -2.834 -3.162 1.00 1.52 H new ATOM 1457 N ALA A 99 -9.183 0.522 -0.008 1.00 0.57 N ATOM 1458 CA ALA A 99 -8.445 0.356 1.244 1.00 0.74 C ATOM 1459 C ALA A 99 -9.359 -0.138 2.378 1.00 0.77 C ATOM 1460 O ALA A 99 -10.465 0.381 2.550 1.00 0.87 O ATOM 1461 CB ALA A 99 -7.775 1.688 1.600 1.00 0.87 C ATOM 0 H ALA A 99 -9.431 1.491 -0.208 1.00 0.57 H new ATOM 0 HA ALA A 99 -7.680 -0.409 1.113 1.00 0.74 H new ATOM 0 HB1 ALA A 99 -7.221 1.579 2.532 1.00 0.87 H new ATOM 0 HB2 ALA A 99 -7.090 1.975 0.802 1.00 0.87 H new ATOM 0 HB3 ALA A 99 -8.537 2.458 1.719 1.00 0.87 H new ATOM 1467 N THR A 100 -8.890 -1.115 3.156 1.00 0.79 N ATOM 1468 CA THR A 100 -9.670 -1.777 4.228 1.00 0.87 C ATOM 1469 C THR A 100 -9.040 -1.689 5.622 1.00 0.84 C ATOM 1470 O THR A 100 -9.664 -2.129 6.595 1.00 0.85 O ATOM 1471 CB THR A 100 -9.995 -3.244 3.872 1.00 1.05 C ATOM 1472 OG1 THR A 100 -9.069 -3.808 2.963 1.00 2.15 O ATOM 1473 CG2 THR A 100 -11.363 -3.351 3.203 1.00 1.84 C ATOM 0 H THR A 100 -7.943 -1.482 3.065 1.00 0.79 H new ATOM 0 HA THR A 100 -10.598 -1.208 4.284 1.00 0.87 H new ATOM 0 HB THR A 100 -9.960 -3.781 4.820 1.00 1.05 H new ATOM 0 HG1 THR A 100 -9.320 -4.736 2.774 1.00 2.15 H new ATOM 0 HG21 THR A 100 -11.569 -4.394 2.962 1.00 1.84 H new ATOM 0 HG22 THR A 100 -12.130 -2.977 3.881 1.00 1.84 H new ATOM 0 HG23 THR A 100 -11.368 -2.759 2.288 1.00 1.84 H new ATOM 1481 N HIS A 101 -7.874 -1.045 5.751 1.00 0.81 N ATOM 1482 CA HIS A 101 -7.190 -0.776 7.021 1.00 0.82 C ATOM 1483 C HIS A 101 -6.485 0.594 7.013 1.00 0.82 C ATOM 1484 O HIS A 101 -5.945 1.006 5.985 1.00 0.84 O ATOM 1485 CB HIS A 101 -6.167 -1.891 7.309 1.00 0.96 C ATOM 1486 CG HIS A 101 -6.772 -3.272 7.360 1.00 1.11 C ATOM 1487 ND1 HIS A 101 -6.827 -4.174 6.326 1.00 1.33 N ATOM 1488 CD2 HIS A 101 -7.432 -3.836 8.414 1.00 1.26 C ATOM 1489 CE1 HIS A 101 -7.524 -5.243 6.737 1.00 1.52 C ATOM 1490 NE2 HIS A 101 -7.907 -5.093 8.016 1.00 1.47 N ATOM 0 H HIS A 101 -7.363 -0.684 4.945 1.00 0.81 H new ATOM 0 HA HIS A 101 -7.944 -0.755 7.808 1.00 0.82 H new ATOM 0 HB2 HIS A 101 -5.395 -1.871 6.540 1.00 0.96 H new ATOM 0 HB3 HIS A 101 -5.676 -1.684 8.260 1.00 0.96 H new ATOM 0 HD1 HIS A 101 -6.409 -4.052 5.404 1.00 1.33 H new ATOM 0 HD2 HIS A 101 -7.565 -3.389 9.388 1.00 1.26 H new ATOM 0 HE1 HIS A 101 -7.747 -6.105 6.125 1.00 1.52 H new ATOM 1498 N VAL A 102 -6.460 1.289 8.157 1.00 0.86 N ATOM 1499 CA VAL A 102 -5.633 2.499 8.374 1.00 0.93 C ATOM 1500 C VAL A 102 -4.202 2.121 8.777 1.00 1.02 C ATOM 1501 O VAL A 102 -3.951 0.992 9.199 1.00 1.02 O ATOM 1502 CB VAL A 102 -6.268 3.487 9.370 1.00 1.02 C ATOM 1503 CG1 VAL A 102 -7.510 4.136 8.752 1.00 1.47 C ATOM 1504 CG2 VAL A 102 -6.632 2.850 10.713 1.00 1.68 C ATOM 0 H VAL A 102 -7.017 1.030 8.971 1.00 0.86 H new ATOM 0 HA VAL A 102 -5.586 3.026 7.421 1.00 0.93 H new ATOM 0 HB VAL A 102 -5.510 4.242 9.576 1.00 1.02 H new ATOM 0 HG11 VAL A 102 -7.950 4.832 9.466 1.00 1.47 H new ATOM 0 HG12 VAL A 102 -7.227 4.674 7.847 1.00 1.47 H new ATOM 0 HG13 VAL A 102 -8.238 3.364 8.503 1.00 1.47 H new ATOM 0 HG21 VAL A 102 -7.074 3.603 11.365 1.00 1.68 H new ATOM 0 HG22 VAL A 102 -7.348 2.044 10.551 1.00 1.68 H new ATOM 0 HG23 VAL A 102 -5.733 2.448 11.181 1.00 1.68 H new ATOM 1514 N GLY A 103 -3.238 3.044 8.678 1.00 1.14 N ATOM 1515 CA GLY A 103 -1.809 2.707 8.801 1.00 1.28 C ATOM 1516 C GLY A 103 -1.383 2.182 10.179 1.00 1.30 C ATOM 1517 O GLY A 103 -0.568 1.261 10.270 1.00 1.37 O ATOM 0 H GLY A 103 -3.419 4.034 8.513 1.00 1.14 H new ATOM 0 HA2 GLY A 103 -1.562 1.956 8.051 1.00 1.28 H new ATOM 0 HA3 GLY A 103 -1.220 3.595 8.569 1.00 1.28 H new ATOM 1521 N ALA A 104 -1.988 2.677 11.261 1.00 1.34 N ATOM 1522 CA ALA A 104 -1.731 2.170 12.610 1.00 1.44 C ATOM 1523 C ALA A 104 -2.302 0.751 12.843 1.00 1.31 C ATOM 1524 O ALA A 104 -1.750 -0.012 13.638 1.00 1.37 O ATOM 1525 CB ALA A 104 -2.298 3.190 13.600 1.00 1.71 C ATOM 0 H ALA A 104 -2.667 3.437 11.227 1.00 1.34 H new ATOM 0 HA ALA A 104 -0.657 2.058 12.756 1.00 1.44 H new ATOM 0 HB1 ALA A 104 -2.124 2.844 14.619 1.00 1.71 H new ATOM 0 HB2 ALA A 104 -1.805 4.151 13.454 1.00 1.71 H new ATOM 0 HB3 ALA A 104 -3.369 3.302 13.433 1.00 1.71 H new ATOM 1531 N ASP A 105 -3.376 0.381 12.133 1.00 1.23 N ATOM 1532 CA ASP A 105 -3.988 -0.961 12.116 1.00 1.24 C ATOM 1533 C ASP A 105 -3.227 -2.003 11.265 1.00 1.17 C ATOM 1534 O ASP A 105 -3.580 -3.186 11.271 1.00 1.26 O ATOM 1535 CB ASP A 105 -5.468 -0.850 11.721 1.00 1.37 C ATOM 1536 CG ASP A 105 -6.335 -1.965 12.323 1.00 1.76 C ATOM 1537 OD1 ASP A 105 -6.397 -2.098 13.570 1.00 2.76 O ATOM 1538 OD2 ASP A 105 -7.074 -2.642 11.570 1.00 2.03 O ATOM 0 H ASP A 105 -3.867 1.037 11.526 1.00 1.23 H new ATOM 0 HA ASP A 105 -3.916 -1.353 13.130 1.00 1.24 H new ATOM 0 HB2 ASP A 105 -5.853 0.117 12.045 1.00 1.37 H new ATOM 0 HB3 ASP A 105 -5.552 -0.879 10.635 1.00 1.37 H new ATOM 1543 N THR A 106 -2.204 -1.595 10.504 1.00 1.16 N ATOM 1544 CA THR A 106 -1.451 -2.491 9.602 1.00 1.29 C ATOM 1545 C THR A 106 -0.614 -3.522 10.359 1.00 1.40 C ATOM 1546 O THR A 106 -0.218 -3.306 11.511 1.00 1.44 O ATOM 1547 CB THR A 106 -0.523 -1.736 8.633 1.00 1.39 C ATOM 1548 OG1 THR A 106 0.465 -1.009 9.322 1.00 1.94 O ATOM 1549 CG2 THR A 106 -1.269 -0.823 7.669 1.00 1.40 C ATOM 0 H THR A 106 -1.870 -0.631 10.493 1.00 1.16 H new ATOM 0 HA THR A 106 -2.224 -3.001 9.027 1.00 1.29 H new ATOM 0 HB THR A 106 -0.041 -2.508 8.033 1.00 1.39 H new ATOM 0 HG1 THR A 106 0.053 -0.243 9.773 1.00 1.94 H new ATOM 0 HG21 THR A 106 -0.555 -0.322 7.015 1.00 1.40 H new ATOM 0 HG22 THR A 106 -1.958 -1.415 7.067 1.00 1.40 H new ATOM 0 HG23 THR A 106 -1.829 -0.077 8.234 1.00 1.40 H new ATOM 1557 N THR A 107 -0.276 -4.624 9.681 1.00 1.54 N ATOM 1558 CA THR A 107 0.687 -5.618 10.186 1.00 1.65 C ATOM 1559 C THR A 107 2.093 -5.014 10.318 1.00 1.54 C ATOM 1560 O THR A 107 2.789 -5.303 11.284 1.00 1.57 O ATOM 1561 CB THR A 107 0.670 -6.896 9.327 1.00 1.92 C ATOM 1562 OG1 THR A 107 1.319 -7.961 9.988 1.00 2.43 O ATOM 1563 CG2 THR A 107 1.345 -6.744 7.966 1.00 1.99 C ATOM 0 H THR A 107 -0.661 -4.855 8.765 1.00 1.54 H new ATOM 0 HA THR A 107 0.378 -5.911 11.189 1.00 1.65 H new ATOM 0 HB THR A 107 -0.389 -7.099 9.171 1.00 1.92 H new ATOM 0 HG1 THR A 107 1.293 -8.761 9.423 1.00 2.43 H new ATOM 0 HG21 THR A 107 1.289 -7.689 7.425 1.00 1.99 H new ATOM 0 HG22 THR A 107 0.838 -5.967 7.393 1.00 1.99 H new ATOM 0 HG23 THR A 107 2.390 -6.468 8.107 1.00 1.99 H new ATOM 1571 N LEU A 108 2.482 -4.075 9.443 1.00 1.45 N ATOM 1572 CA LEU A 108 3.760 -3.350 9.529 1.00 1.38 C ATOM 1573 C LEU A 108 3.914 -2.657 10.897 1.00 1.26 C ATOM 1574 O LEU A 108 4.911 -2.846 11.597 1.00 1.33 O ATOM 1575 CB LEU A 108 3.840 -2.279 8.421 1.00 1.38 C ATOM 1576 CG LEU A 108 4.042 -2.725 6.959 1.00 1.12 C ATOM 1577 CD1 LEU A 108 2.925 -3.596 6.387 1.00 1.95 C ATOM 1578 CD2 LEU A 108 4.103 -1.454 6.122 1.00 1.17 C ATOM 0 H LEU A 108 1.911 -3.794 8.646 1.00 1.45 H new ATOM 0 HA LEU A 108 4.561 -4.078 9.405 1.00 1.38 H new ATOM 0 HB2 LEU A 108 2.921 -1.695 8.462 1.00 1.38 H new ATOM 0 HB3 LEU A 108 4.658 -1.605 8.675 1.00 1.38 H new ATOM 0 HG LEU A 108 4.946 -3.334 6.932 1.00 1.12 H new ATOM 0 HD11 LEU A 108 3.160 -3.857 5.355 1.00 1.95 H new ATOM 0 HD12 LEU A 108 2.833 -4.506 6.980 1.00 1.95 H new ATOM 0 HD13 LEU A 108 1.984 -3.047 6.417 1.00 1.95 H new ATOM 0 HD21 LEU A 108 4.246 -1.715 5.073 1.00 1.17 H new ATOM 0 HD22 LEU A 108 3.171 -0.899 6.234 1.00 1.17 H new ATOM 0 HD23 LEU A 108 4.936 -0.836 6.459 1.00 1.17 H new ATOM 1590 N SER A 109 2.892 -1.895 11.295 1.00 1.13 N ATOM 1591 CA SER A 109 2.824 -1.209 12.591 1.00 1.09 C ATOM 1592 C SER A 109 2.660 -2.198 13.756 1.00 1.16 C ATOM 1593 O SER A 109 3.203 -1.984 14.840 1.00 1.21 O ATOM 1594 CB SER A 109 1.678 -0.190 12.562 1.00 1.04 C ATOM 1595 OG SER A 109 1.923 0.764 11.539 1.00 1.71 O ATOM 0 H SER A 109 2.070 -1.733 10.713 1.00 1.13 H new ATOM 0 HA SER A 109 3.767 -0.688 12.759 1.00 1.09 H new ATOM 0 HB2 SER A 109 0.730 -0.697 12.383 1.00 1.04 H new ATOM 0 HB3 SER A 109 1.595 0.309 13.528 1.00 1.04 H new ATOM 0 HG SER A 109 1.089 0.953 11.061 1.00 1.71 H new ATOM 1601 N GLN A 110 1.984 -3.328 13.520 1.00 1.22 N ATOM 1602 CA GLN A 110 1.832 -4.401 14.518 1.00 1.34 C ATOM 1603 C GLN A 110 3.190 -5.023 14.898 1.00 1.56 C ATOM 1604 O GLN A 110 3.446 -5.282 16.078 1.00 1.69 O ATOM 1605 CB GLN A 110 0.868 -5.475 13.977 1.00 1.36 C ATOM 1606 CG GLN A 110 0.380 -6.489 15.020 1.00 1.48 C ATOM 1607 CD GLN A 110 -0.605 -5.849 15.980 1.00 1.48 C ATOM 1608 OE1 GLN A 110 -0.311 -5.606 17.146 1.00 1.62 O ATOM 1609 NE2 GLN A 110 -1.777 -5.505 15.504 1.00 1.47 N ATOM 0 H GLN A 110 1.525 -3.528 12.631 1.00 1.22 H new ATOM 0 HA GLN A 110 1.415 -3.968 15.427 1.00 1.34 H new ATOM 0 HB2 GLN A 110 0.001 -4.978 13.541 1.00 1.36 H new ATOM 0 HB3 GLN A 110 1.364 -6.015 13.171 1.00 1.36 H new ATOM 0 HG2 GLN A 110 -0.092 -7.334 14.518 1.00 1.48 H new ATOM 0 HG3 GLN A 110 1.231 -6.883 15.575 1.00 1.48 H new ATOM 0 HE21 GLN A 110 -2.014 -5.711 14.533 1.00 1.47 H new ATOM 0 HE22 GLN A 110 -2.452 -5.032 16.104 1.00 1.47 H new ATOM 1618 N ILE A 111 4.063 -5.227 13.903 1.00 1.64 N ATOM 1619 CA ILE A 111 5.408 -5.810 14.042 1.00 1.83 C ATOM 1620 C ILE A 111 6.320 -4.902 14.876 1.00 1.81 C ATOM 1621 O ILE A 111 6.918 -5.381 15.841 1.00 2.03 O ATOM 1622 CB ILE A 111 6.007 -6.110 12.642 1.00 1.84 C ATOM 1623 CG1 ILE A 111 5.226 -7.252 11.949 1.00 2.01 C ATOM 1624 CG2 ILE A 111 7.501 -6.483 12.715 1.00 1.98 C ATOM 1625 CD1 ILE A 111 5.444 -7.313 10.431 1.00 2.04 C ATOM 0 H ILE A 111 3.844 -4.981 12.938 1.00 1.64 H new ATOM 0 HA ILE A 111 5.328 -6.755 14.580 1.00 1.83 H new ATOM 0 HB ILE A 111 5.916 -5.194 12.058 1.00 1.84 H new ATOM 0 HG12 ILE A 111 5.524 -8.204 12.389 1.00 2.01 H new ATOM 0 HG13 ILE A 111 4.162 -7.127 12.150 1.00 2.01 H new ATOM 0 HG21 ILE A 111 7.875 -6.684 11.711 1.00 1.98 H new ATOM 0 HG22 ILE A 111 8.061 -5.657 13.152 1.00 1.98 H new ATOM 0 HG23 ILE A 111 7.624 -7.372 13.333 1.00 1.98 H new ATOM 0 HD11 ILE A 111 4.866 -8.137 10.013 1.00 2.04 H new ATOM 0 HD12 ILE A 111 5.119 -6.376 9.979 1.00 2.04 H new ATOM 0 HD13 ILE A 111 6.502 -7.469 10.221 1.00 2.04 H new ATOM 1637 N VAL A 112 6.416 -3.603 14.558 1.00 1.60 N ATOM 1638 CA VAL A 112 7.353 -2.700 15.267 1.00 1.64 C ATOM 1639 C VAL A 112 7.010 -2.502 16.742 1.00 1.82 C ATOM 1640 O VAL A 112 7.905 -2.222 17.538 1.00 1.97 O ATOM 1641 CB VAL A 112 7.540 -1.328 14.594 1.00 1.53 C ATOM 1642 CG1 VAL A 112 8.045 -1.490 13.163 1.00 1.42 C ATOM 1643 CG2 VAL A 112 6.273 -0.475 14.574 1.00 1.52 C ATOM 0 H VAL A 112 5.867 -3.152 13.826 1.00 1.60 H new ATOM 0 HA VAL A 112 8.303 -3.231 15.202 1.00 1.64 H new ATOM 0 HB VAL A 112 8.277 -0.806 15.205 1.00 1.53 H new ATOM 0 HG11 VAL A 112 8.170 -0.508 12.708 1.00 1.42 H new ATOM 0 HG12 VAL A 112 9.003 -2.010 13.172 1.00 1.42 H new ATOM 0 HG13 VAL A 112 7.324 -2.068 12.586 1.00 1.42 H new ATOM 0 HG21 VAL A 112 6.482 0.476 14.085 1.00 1.52 H new ATOM 0 HG22 VAL A 112 5.490 -1.000 14.027 1.00 1.52 H new ATOM 0 HG23 VAL A 112 5.942 -0.292 15.596 1.00 1.52 H new