USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=19 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 106 THR OG1 : rot -116:sc= 1.82 USER MOD Set 1.2: A 109 SER OG : rot 83:sc= 0.513 USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 31 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 76:sc= 0.0208 USER MOD Single : A 11 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.4!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 163:sc= 0.918 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 32:sc= 0.752 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 165:sc= 1.28 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 2.11 (180deg=2.07) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 140:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -80:sc= 0.932 USER MOD Single : A 90 ASN : amide:sc= 0.521 K(o=0.52,f=-3.8!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -42:sc= -0.123 USER MOD Single : A 100 THR OG1 : rot -39:sc= 0.877 USER MOD Single : A 101 HIS : no HE2:sc= 0.244 K(o=0.24,f=-3.6!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0489 X(o=-0.049,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.700 -1.970 11.047 1.00 1.63 N ATOM 28 CA ALA A 3 15.837 -2.770 10.170 1.00 1.39 C ATOM 29 C ALA A 3 14.362 -2.620 10.588 1.00 0.97 C ATOM 30 O ALA A 3 13.474 -2.482 9.746 1.00 0.90 O ATOM 31 CB ALA A 3 16.304 -4.227 10.188 1.00 1.86 C ATOM 0 HA ALA A 3 15.912 -2.409 9.144 1.00 1.39 H new ATOM 0 HB1 ALA A 3 15.664 -4.822 9.537 1.00 1.86 H new ATOM 0 HB2 ALA A 3 17.334 -4.283 9.835 1.00 1.86 H new ATOM 0 HB3 ALA A 3 16.248 -4.615 11.205 1.00 1.86 H new ATOM 37 N LEU A 4 14.112 -2.521 11.900 1.00 0.93 N ATOM 38 CA LEU A 4 12.802 -2.211 12.477 1.00 0.80 C ATOM 39 C LEU A 4 12.289 -0.819 12.058 1.00 0.78 C ATOM 40 O LEU A 4 11.079 -0.629 11.934 1.00 0.91 O ATOM 41 CB LEU A 4 12.939 -2.311 14.010 1.00 1.03 C ATOM 42 CG LEU A 4 11.618 -2.268 14.794 1.00 1.14 C ATOM 43 CD1 LEU A 4 10.907 -3.613 14.696 1.00 1.20 C ATOM 44 CD2 LEU A 4 11.893 -1.972 16.269 1.00 1.59 C ATOM 0 H LEU A 4 14.835 -2.658 12.606 1.00 0.93 H new ATOM 0 HA LEU A 4 12.064 -2.922 12.105 1.00 0.80 H new ATOM 0 HB2 LEU A 4 13.455 -3.240 14.252 1.00 1.03 H new ATOM 0 HB3 LEU A 4 13.573 -1.495 14.355 1.00 1.03 H new ATOM 0 HG LEU A 4 10.992 -1.485 14.368 1.00 1.14 H new ATOM 0 HD11 LEU A 4 9.972 -3.572 15.255 1.00 1.20 H new ATOM 0 HD12 LEU A 4 10.695 -3.837 13.651 1.00 1.20 H new ATOM 0 HD13 LEU A 4 11.545 -4.393 15.112 1.00 1.20 H new ATOM 0 HD21 LEU A 4 10.951 -1.944 16.816 1.00 1.59 H new ATOM 0 HD22 LEU A 4 12.530 -2.753 16.684 1.00 1.59 H new ATOM 0 HD23 LEU A 4 12.394 -1.008 16.359 1.00 1.59 H new ATOM 56 N ALA A 5 13.174 0.154 11.809 1.00 0.85 N ATOM 57 CA ALA A 5 12.802 1.463 11.272 1.00 0.95 C ATOM 58 C ALA A 5 12.464 1.432 9.768 1.00 0.80 C ATOM 59 O ALA A 5 11.691 2.267 9.292 1.00 0.93 O ATOM 60 CB ALA A 5 13.959 2.431 11.543 1.00 1.19 C ATOM 0 H ALA A 5 14.175 0.051 11.977 1.00 0.85 H new ATOM 0 HA ALA A 5 11.890 1.790 11.771 1.00 0.95 H new ATOM 0 HB1 ALA A 5 13.708 3.417 11.152 1.00 1.19 H new ATOM 0 HB2 ALA A 5 14.132 2.500 12.617 1.00 1.19 H new ATOM 0 HB3 ALA A 5 14.861 2.066 11.053 1.00 1.19 H new ATOM 66 N LYS A 6 13.031 0.480 9.008 1.00 0.67 N ATOM 67 CA LYS A 6 12.982 0.455 7.537 1.00 0.71 C ATOM 68 C LYS A 6 11.568 0.221 7.010 1.00 0.79 C ATOM 69 O LYS A 6 11.142 0.925 6.102 1.00 0.90 O ATOM 70 CB LYS A 6 13.994 -0.583 7.028 1.00 0.81 C ATOM 71 CG LYS A 6 14.207 -0.484 5.512 1.00 1.04 C ATOM 72 CD LYS A 6 15.391 -1.353 5.076 1.00 1.49 C ATOM 73 CE LYS A 6 15.558 -1.281 3.561 1.00 1.83 C ATOM 74 NZ LYS A 6 16.724 -2.073 3.103 1.00 2.33 N ATOM 0 H LYS A 6 13.545 -0.307 9.405 1.00 0.67 H new ATOM 0 HA LYS A 6 13.264 1.433 7.148 1.00 0.71 H new ATOM 0 HB2 LYS A 6 14.947 -0.440 7.538 1.00 0.81 H new ATOM 0 HB3 LYS A 6 13.644 -1.584 7.280 1.00 0.81 H new ATOM 0 HG2 LYS A 6 13.304 -0.802 4.991 1.00 1.04 H new ATOM 0 HG3 LYS A 6 14.388 0.554 5.232 1.00 1.04 H new ATOM 0 HD2 LYS A 6 16.303 -1.014 5.568 1.00 1.49 H new ATOM 0 HD3 LYS A 6 15.228 -2.386 5.384 1.00 1.49 H new ATOM 0 HE2 LYS A 6 14.654 -1.650 3.077 1.00 1.83 H new ATOM 0 HE3 LYS A 6 15.681 -0.242 3.257 1.00 1.83 H new ATOM 0 HZ1 LYS A 6 16.808 -2.002 2.069 1.00 2.33 H new ATOM 0 HZ2 LYS A 6 17.590 -1.705 3.547 1.00 2.33 H new ATOM 0 HZ3 LYS A 6 16.594 -3.069 3.372 1.00 2.33 H new ATOM 88 N LEU A 7 10.811 -0.682 7.640 1.00 0.84 N ATOM 89 CA LEU A 7 9.388 -0.936 7.352 1.00 1.01 C ATOM 90 C LEU A 7 8.562 0.367 7.327 1.00 1.17 C ATOM 91 O LEU A 7 7.763 0.575 6.419 1.00 1.40 O ATOM 92 CB LEU A 7 8.821 -1.896 8.424 1.00 0.97 C ATOM 93 CG LEU A 7 8.998 -3.412 8.201 1.00 0.89 C ATOM 94 CD1 LEU A 7 8.096 -3.925 7.078 1.00 0.98 C ATOM 95 CD2 LEU A 7 10.444 -3.821 7.922 1.00 0.88 C ATOM 0 H LEU A 7 11.177 -1.275 8.385 1.00 0.84 H new ATOM 0 HA LEU A 7 9.316 -1.386 6.362 1.00 1.01 H new ATOM 0 HB2 LEU A 7 9.283 -1.642 9.378 1.00 0.97 H new ATOM 0 HB3 LEU A 7 7.754 -1.695 8.523 1.00 0.97 H new ATOM 0 HG LEU A 7 8.704 -3.875 9.143 1.00 0.89 H new ATOM 0 HD11 LEU A 7 8.248 -4.997 6.950 1.00 0.98 H new ATOM 0 HD12 LEU A 7 7.053 -3.735 7.333 1.00 0.98 H new ATOM 0 HD13 LEU A 7 8.342 -3.410 6.149 1.00 0.98 H new ATOM 0 HD21 LEU A 7 10.495 -4.900 7.775 1.00 0.88 H new ATOM 0 HD22 LEU A 7 10.798 -3.315 7.024 1.00 0.88 H new ATOM 0 HD23 LEU A 7 11.071 -3.540 8.768 1.00 0.88 H new ATOM 107 N ILE A 8 8.786 1.254 8.301 1.00 1.11 N ATOM 108 CA ILE A 8 8.148 2.576 8.382 1.00 1.24 C ATOM 109 C ILE A 8 8.713 3.558 7.336 1.00 1.14 C ATOM 110 O ILE A 8 7.969 4.357 6.766 1.00 1.25 O ATOM 111 CB ILE A 8 8.255 3.110 9.828 1.00 1.33 C ATOM 112 CG1 ILE A 8 7.576 2.173 10.856 1.00 1.53 C ATOM 113 CG2 ILE A 8 7.712 4.543 9.964 1.00 1.44 C ATOM 114 CD1 ILE A 8 6.060 1.979 10.713 1.00 1.74 C ATOM 0 H ILE A 8 9.429 1.072 9.072 1.00 1.11 H new ATOM 0 HA ILE A 8 7.091 2.475 8.136 1.00 1.24 H new ATOM 0 HB ILE A 8 9.321 3.134 10.055 1.00 1.33 H new ATOM 0 HG12 ILE A 8 8.052 1.195 10.792 1.00 1.53 H new ATOM 0 HG13 ILE A 8 7.777 2.560 11.855 1.00 1.53 H new ATOM 0 HG21 ILE A 8 7.810 4.872 10.998 1.00 1.44 H new ATOM 0 HG22 ILE A 8 8.280 5.210 9.316 1.00 1.44 H new ATOM 0 HG23 ILE A 8 6.661 4.563 9.674 1.00 1.44 H new ATOM 0 HD11 ILE A 8 5.705 1.302 11.490 1.00 1.74 H new ATOM 0 HD12 ILE A 8 5.559 2.942 10.813 1.00 1.74 H new ATOM 0 HD13 ILE A 8 5.838 1.555 9.734 1.00 1.74 H new ATOM 126 N SER A 9 10.011 3.486 7.023 1.00 1.01 N ATOM 127 CA SER A 9 10.658 4.334 6.007 1.00 1.04 C ATOM 128 C SER A 9 10.235 3.990 4.567 1.00 1.17 C ATOM 129 O SER A 9 10.291 4.855 3.690 1.00 1.33 O ATOM 130 CB SER A 9 12.182 4.261 6.148 1.00 1.01 C ATOM 131 OG SER A 9 12.592 4.785 7.402 1.00 1.06 O ATOM 0 H SER A 9 10.652 2.831 7.471 1.00 1.01 H new ATOM 0 HA SER A 9 10.320 5.354 6.192 1.00 1.04 H new ATOM 0 HB2 SER A 9 12.512 3.227 6.054 1.00 1.01 H new ATOM 0 HB3 SER A 9 12.655 4.821 5.341 1.00 1.01 H new ATOM 0 HG SER A 9 12.403 4.131 8.107 1.00 1.06 H new ATOM 137 N LEU A 10 9.741 2.773 4.310 1.00 1.16 N ATOM 138 CA LEU A 10 9.129 2.389 3.028 1.00 1.33 C ATOM 139 C LEU A 10 7.792 3.106 2.731 1.00 1.47 C ATOM 140 O LEU A 10 7.386 3.135 1.568 1.00 1.63 O ATOM 141 CB LEU A 10 8.923 0.857 2.973 1.00 1.39 C ATOM 142 CG LEU A 10 10.052 0.072 2.280 1.00 1.50 C ATOM 143 CD1 LEU A 10 11.295 -0.070 3.152 1.00 2.06 C ATOM 144 CD2 LEU A 10 9.566 -1.339 1.956 1.00 1.37 C ATOM 0 H LEU A 10 9.754 2.016 4.994 1.00 1.16 H new ATOM 0 HA LEU A 10 9.828 2.708 2.255 1.00 1.33 H new ATOM 0 HB2 LEU A 10 8.814 0.484 3.991 1.00 1.39 H new ATOM 0 HB3 LEU A 10 7.986 0.650 2.455 1.00 1.39 H new ATOM 0 HG LEU A 10 10.314 0.634 1.383 1.00 1.50 H new ATOM 0 HD11 LEU A 10 12.057 -0.632 2.611 1.00 2.06 H new ATOM 0 HD12 LEU A 10 11.681 0.919 3.399 1.00 2.06 H new ATOM 0 HD13 LEU A 10 11.037 -0.599 4.070 1.00 2.06 H new ATOM 0 HD21 LEU A 10 10.365 -1.895 1.465 1.00 1.37 H new ATOM 0 HD22 LEU A 10 9.283 -1.847 2.878 1.00 1.37 H new ATOM 0 HD23 LEU A 10 8.703 -1.283 1.293 1.00 1.37 H new ATOM 156 N GLN A 11 7.098 3.659 3.735 1.00 1.47 N ATOM 157 CA GLN A 11 5.759 4.259 3.588 1.00 1.61 C ATOM 158 C GLN A 11 5.755 5.596 2.811 1.00 1.68 C ATOM 159 O GLN A 11 6.813 6.169 2.536 1.00 2.10 O ATOM 160 CB GLN A 11 5.102 4.413 4.973 1.00 1.66 C ATOM 161 CG GLN A 11 4.849 3.071 5.670 1.00 1.58 C ATOM 162 CD GLN A 11 4.021 3.256 6.937 1.00 1.70 C ATOM 163 OE1 GLN A 11 4.519 3.333 8.049 1.00 2.36 O ATOM 164 NE2 GLN A 11 2.715 3.357 6.823 1.00 2.65 N ATOM 0 H GLN A 11 7.455 3.704 4.689 1.00 1.47 H new ATOM 0 HA GLN A 11 5.170 3.574 2.978 1.00 1.61 H new ATOM 0 HB2 GLN A 11 5.741 5.029 5.605 1.00 1.66 H new ATOM 0 HB3 GLN A 11 4.156 4.943 4.863 1.00 1.66 H new ATOM 0 HG2 GLN A 11 4.331 2.396 4.989 1.00 1.58 H new ATOM 0 HG3 GLN A 11 5.801 2.602 5.920 1.00 1.58 H new ATOM 0 HE21 GLN A 11 2.277 3.296 5.904 1.00 2.65 H new ATOM 0 HE22 GLN A 11 2.140 3.497 7.654 1.00 2.65 H new ATOM 173 N ALA A 12 4.565 6.094 2.448 1.00 1.49 N ATOM 174 CA ALA A 12 4.384 7.288 1.606 1.00 1.50 C ATOM 175 C ALA A 12 3.771 8.506 2.333 1.00 1.53 C ATOM 176 O ALA A 12 4.000 9.637 1.907 1.00 3.25 O ATOM 177 CB ALA A 12 3.548 6.879 0.388 1.00 1.61 C ATOM 0 H ALA A 12 3.683 5.671 2.736 1.00 1.49 H new ATOM 0 HA ALA A 12 5.372 7.637 1.307 1.00 1.50 H new ATOM 0 HB1 ALA A 12 3.396 7.745 -0.257 1.00 1.61 H new ATOM 0 HB2 ALA A 12 4.071 6.100 -0.167 1.00 1.61 H new ATOM 0 HB3 ALA A 12 2.581 6.501 0.721 1.00 1.61 H new ATOM 183 N THR A 13 3.009 8.302 3.417 1.00 1.42 N ATOM 184 CA THR A 13 2.426 9.354 4.295 1.00 1.61 C ATOM 185 C THR A 13 1.325 10.233 3.654 1.00 1.30 C ATOM 186 O THR A 13 0.592 10.943 4.346 1.00 1.29 O ATOM 187 CB THR A 13 3.537 10.221 4.937 1.00 2.12 C ATOM 188 OG1 THR A 13 4.694 9.465 5.251 1.00 2.84 O ATOM 189 CG2 THR A 13 3.112 10.858 6.256 1.00 2.73 C ATOM 0 H THR A 13 2.765 7.362 3.729 1.00 1.42 H new ATOM 0 HA THR A 13 1.901 8.798 5.072 1.00 1.61 H new ATOM 0 HB THR A 13 3.739 10.981 4.182 1.00 2.12 H new ATOM 0 HG1 THR A 13 5.369 10.051 5.652 1.00 2.84 H new ATOM 0 HG21 THR A 13 3.934 11.452 6.655 1.00 2.73 H new ATOM 0 HG22 THR A 13 2.248 11.501 6.088 1.00 2.73 H new ATOM 0 HG23 THR A 13 2.850 10.077 6.969 1.00 2.73 H new ATOM 197 N GLU A 14 1.137 10.162 2.338 1.00 1.13 N ATOM 198 CA GLU A 14 0.098 10.861 1.569 1.00 0.98 C ATOM 199 C GLU A 14 -0.671 9.907 0.635 1.00 0.90 C ATOM 200 O GLU A 14 -0.151 8.856 0.244 1.00 0.96 O ATOM 201 CB GLU A 14 0.734 12.018 0.780 1.00 1.06 C ATOM 202 CG GLU A 14 1.655 11.545 -0.354 1.00 1.21 C ATOM 203 CD GLU A 14 2.083 12.710 -1.240 1.00 1.61 C ATOM 204 OE1 GLU A 14 3.094 13.381 -0.914 1.00 2.26 O ATOM 205 OE2 GLU A 14 1.401 12.958 -2.266 1.00 2.82 O ATOM 0 H GLU A 14 1.734 9.587 1.744 1.00 1.13 H new ATOM 0 HA GLU A 14 -0.633 11.264 2.270 1.00 0.98 H new ATOM 0 HB2 GLU A 14 -0.056 12.641 0.361 1.00 1.06 H new ATOM 0 HB3 GLU A 14 1.305 12.645 1.465 1.00 1.06 H new ATOM 0 HG2 GLU A 14 2.537 11.062 0.068 1.00 1.21 H new ATOM 0 HG3 GLU A 14 1.140 10.797 -0.956 1.00 1.21 H new ATOM 212 N ALA A 15 -1.889 10.284 0.237 1.00 0.78 N ATOM 213 CA ALA A 15 -2.742 9.492 -0.653 1.00 0.73 C ATOM 214 C ALA A 15 -3.507 10.350 -1.683 1.00 0.64 C ATOM 215 O ALA A 15 -3.659 11.562 -1.506 1.00 0.72 O ATOM 216 CB ALA A 15 -3.705 8.681 0.222 1.00 0.76 C ATOM 0 H ALA A 15 -2.317 11.163 0.529 1.00 0.78 H new ATOM 0 HA ALA A 15 -2.111 8.831 -1.248 1.00 0.73 H new ATOM 0 HB1 ALA A 15 -4.355 8.079 -0.413 1.00 0.76 H new ATOM 0 HB2 ALA A 15 -3.134 8.026 0.881 1.00 0.76 H new ATOM 0 HB3 ALA A 15 -4.311 9.360 0.822 1.00 0.76 H new ATOM 222 N THR A 16 -4.010 9.695 -2.736 1.00 0.59 N ATOM 223 CA THR A 16 -4.866 10.282 -3.786 1.00 0.53 C ATOM 224 C THR A 16 -6.190 9.511 -3.889 1.00 0.44 C ATOM 225 O THR A 16 -6.244 8.426 -4.465 1.00 0.53 O ATOM 226 CB THR A 16 -4.133 10.329 -5.141 1.00 0.73 C ATOM 227 OG1 THR A 16 -2.902 11.006 -4.982 1.00 0.95 O ATOM 228 CG2 THR A 16 -4.922 11.091 -6.205 1.00 0.79 C ATOM 0 H THR A 16 -3.828 8.703 -2.890 1.00 0.59 H new ATOM 0 HA THR A 16 -5.095 11.311 -3.508 1.00 0.53 H new ATOM 0 HB THR A 16 -4.001 9.296 -5.463 1.00 0.73 H new ATOM 0 HG1 THR A 16 -2.432 11.037 -5.841 1.00 0.95 H new ATOM 0 HG21 THR A 16 -4.362 11.095 -7.140 1.00 0.79 H new ATOM 0 HG22 THR A 16 -5.885 10.606 -6.361 1.00 0.79 H new ATOM 0 HG23 THR A 16 -5.082 12.117 -5.874 1.00 0.79 H new ATOM 236 N ILE A 17 -7.261 10.051 -3.302 1.00 0.40 N ATOM 237 CA ILE A 17 -8.601 9.442 -3.242 1.00 0.45 C ATOM 238 C ILE A 17 -9.402 9.771 -4.511 1.00 0.49 C ATOM 239 O ILE A 17 -9.285 10.878 -5.037 1.00 0.57 O ATOM 240 CB ILE A 17 -9.398 9.925 -1.996 1.00 0.52 C ATOM 241 CG1 ILE A 17 -8.549 10.058 -0.703 1.00 0.44 C ATOM 242 CG2 ILE A 17 -10.604 8.989 -1.770 1.00 0.83 C ATOM 243 CD1 ILE A 17 -9.342 10.501 0.535 1.00 0.51 C ATOM 0 H ILE A 17 -7.222 10.958 -2.837 1.00 0.40 H new ATOM 0 HA ILE A 17 -8.459 8.364 -3.166 1.00 0.45 H new ATOM 0 HB ILE A 17 -9.736 10.938 -2.214 1.00 0.52 H new ATOM 0 HG12 ILE A 17 -8.077 9.098 -0.493 1.00 0.44 H new ATOM 0 HG13 ILE A 17 -7.748 10.775 -0.882 1.00 0.44 H new ATOM 0 HG21 ILE A 17 -11.166 9.323 -0.898 1.00 0.83 H new ATOM 0 HG22 ILE A 17 -11.250 9.010 -2.648 1.00 0.83 H new ATOM 0 HG23 ILE A 17 -10.249 7.972 -1.605 1.00 0.83 H new ATOM 0 HD11 ILE A 17 -8.672 10.568 1.392 1.00 0.51 H new ATOM 0 HD12 ILE A 17 -9.792 11.476 0.349 1.00 0.51 H new ATOM 0 HD13 ILE A 17 -10.126 9.774 0.744 1.00 0.51 H new ATOM 255 N VAL A 18 -10.256 8.855 -4.974 1.00 0.50 N ATOM 256 CA VAL A 18 -11.282 9.128 -6.002 1.00 0.61 C ATOM 257 C VAL A 18 -12.679 9.154 -5.369 1.00 0.86 C ATOM 258 O VAL A 18 -13.082 8.217 -4.669 1.00 1.03 O ATOM 259 CB VAL A 18 -11.231 8.159 -7.201 1.00 0.85 C ATOM 260 CG1 VAL A 18 -10.339 8.693 -8.314 1.00 1.40 C ATOM 261 CG2 VAL A 18 -10.768 6.742 -6.858 1.00 1.99 C ATOM 0 H VAL A 18 -10.260 7.889 -4.646 1.00 0.50 H new ATOM 0 HA VAL A 18 -11.055 10.112 -6.411 1.00 0.61 H new ATOM 0 HB VAL A 18 -12.268 8.095 -7.529 1.00 0.85 H new ATOM 0 HG11 VAL A 18 -10.327 7.984 -9.142 1.00 1.40 H new ATOM 0 HG12 VAL A 18 -10.725 9.651 -8.662 1.00 1.40 H new ATOM 0 HG13 VAL A 18 -9.325 8.826 -7.936 1.00 1.40 H new ATOM 0 HG21 VAL A 18 -10.763 6.132 -7.761 1.00 1.99 H new ATOM 0 HG22 VAL A 18 -9.762 6.779 -6.440 1.00 1.99 H new ATOM 0 HG23 VAL A 18 -11.448 6.304 -6.128 1.00 1.99 H new ATOM 271 N THR A 19 -13.421 10.234 -5.620 1.00 1.02 N ATOM 272 CA THR A 19 -14.702 10.556 -4.969 1.00 1.44 C ATOM 273 C THR A 19 -15.747 11.001 -5.998 1.00 1.65 C ATOM 274 O THR A 19 -15.438 11.783 -6.900 1.00 1.63 O ATOM 275 CB THR A 19 -14.507 11.695 -3.943 1.00 1.68 C ATOM 276 OG1 THR A 19 -13.500 11.422 -2.990 1.00 1.76 O ATOM 277 CG2 THR A 19 -15.772 11.969 -3.131 1.00 2.16 C ATOM 0 H THR A 19 -13.141 10.936 -6.305 1.00 1.02 H new ATOM 0 HA THR A 19 -15.053 9.654 -4.468 1.00 1.44 H new ATOM 0 HB THR A 19 -14.232 12.550 -4.560 1.00 1.68 H new ATOM 0 HG1 THR A 19 -13.233 12.255 -2.548 1.00 1.76 H new ATOM 0 HG21 THR A 19 -15.583 12.777 -2.425 1.00 2.16 H new ATOM 0 HG22 THR A 19 -16.581 12.256 -3.803 1.00 2.16 H new ATOM 0 HG23 THR A 19 -16.056 11.069 -2.585 1.00 2.16 H new ATOM 391 N LEU A 27 -16.975 12.953 -11.243 1.00 2.47 N ATOM 392 CA LEU A 27 -15.908 12.142 -10.652 1.00 2.16 C ATOM 393 C LEU A 27 -14.670 13.032 -10.482 1.00 1.59 C ATOM 394 O LEU A 27 -14.223 13.678 -11.436 1.00 1.71 O ATOM 395 CB LEU A 27 -15.701 10.876 -11.508 1.00 2.60 C ATOM 396 CG LEU A 27 -14.943 9.722 -10.819 1.00 2.63 C ATOM 397 CD1 LEU A 27 -15.157 8.443 -11.629 1.00 2.33 C ATOM 398 CD2 LEU A 27 -13.435 9.948 -10.709 1.00 3.39 C ATOM 0 HA LEU A 27 -16.158 11.775 -9.657 1.00 2.16 H new ATOM 0 HB2 LEU A 27 -16.678 10.508 -11.823 1.00 2.60 H new ATOM 0 HB3 LEU A 27 -15.159 11.155 -12.412 1.00 2.60 H new ATOM 0 HG LEU A 27 -15.341 9.656 -9.806 1.00 2.63 H new ATOM 0 HD11 LEU A 27 -14.626 7.618 -11.153 1.00 2.33 H new ATOM 0 HD12 LEU A 27 -16.222 8.213 -11.672 1.00 2.33 H new ATOM 0 HD13 LEU A 27 -14.776 8.585 -12.640 1.00 2.33 H new ATOM 0 HD21 LEU A 27 -12.974 9.093 -10.214 1.00 3.39 H new ATOM 0 HD22 LEU A 27 -13.010 10.062 -11.706 1.00 3.39 H new ATOM 0 HD23 LEU A 27 -13.244 10.850 -10.128 1.00 3.39 H new ATOM 410 N SER A 28 -14.164 13.124 -9.253 1.00 1.26 N ATOM 411 CA SER A 28 -13.127 14.078 -8.851 1.00 1.02 C ATOM 412 C SER A 28 -12.103 13.412 -7.925 1.00 0.90 C ATOM 413 O SER A 28 -12.410 12.430 -7.247 1.00 0.98 O ATOM 414 CB SER A 28 -13.806 15.278 -8.185 1.00 1.27 C ATOM 415 OG SER A 28 -12.928 16.383 -8.083 1.00 1.54 O ATOM 0 H SER A 28 -14.471 12.522 -8.488 1.00 1.26 H new ATOM 0 HA SER A 28 -12.575 14.423 -9.725 1.00 1.02 H new ATOM 0 HB2 SER A 28 -14.686 15.564 -8.760 1.00 1.27 H new ATOM 0 HB3 SER A 28 -14.153 14.995 -7.191 1.00 1.27 H new ATOM 0 HG SER A 28 -13.393 17.132 -7.655 1.00 1.54 H new ATOM 421 N GLU A 29 -10.871 13.919 -7.910 1.00 0.86 N ATOM 422 CA GLU A 29 -9.729 13.273 -7.243 1.00 0.70 C ATOM 423 C GLU A 29 -9.135 14.210 -6.179 1.00 0.70 C ATOM 424 O GLU A 29 -8.966 15.410 -6.430 1.00 0.81 O ATOM 425 CB GLU A 29 -8.673 12.794 -8.262 1.00 0.78 C ATOM 426 CG GLU A 29 -9.292 12.139 -9.506 1.00 0.97 C ATOM 427 CD GLU A 29 -8.295 11.613 -10.546 1.00 1.29 C ATOM 428 OE1 GLU A 29 -7.091 11.976 -10.545 1.00 2.32 O ATOM 429 OE2 GLU A 29 -8.742 10.851 -11.436 1.00 2.37 O ATOM 0 H GLU A 29 -10.630 14.800 -8.364 1.00 0.86 H new ATOM 0 HA GLU A 29 -10.086 12.378 -6.733 1.00 0.70 H new ATOM 0 HB2 GLU A 29 -8.063 13.643 -8.571 1.00 0.78 H new ATOM 0 HB3 GLU A 29 -8.006 12.082 -7.777 1.00 0.78 H new ATOM 0 HG2 GLU A 29 -9.922 11.311 -9.182 1.00 0.97 H new ATOM 0 HG3 GLU A 29 -9.944 12.866 -9.990 1.00 0.97 H new ATOM 436 N GLU A 30 -8.842 13.690 -4.988 1.00 0.64 N ATOM 437 CA GLU A 30 -8.482 14.458 -3.785 1.00 0.72 C ATOM 438 C GLU A 30 -7.125 14.005 -3.234 1.00 0.71 C ATOM 439 O GLU A 30 -6.946 12.812 -2.993 1.00 0.70 O ATOM 440 CB GLU A 30 -9.562 14.292 -2.691 1.00 0.80 C ATOM 441 CG GLU A 30 -11.001 14.462 -3.205 1.00 0.93 C ATOM 442 CD GLU A 30 -12.017 14.732 -2.086 1.00 2.15 C ATOM 443 OE1 GLU A 30 -11.843 15.724 -1.335 1.00 2.78 O ATOM 444 OE2 GLU A 30 -13.055 14.029 -1.990 1.00 3.46 O ATOM 0 H GLU A 30 -8.848 12.684 -4.823 1.00 0.64 H new ATOM 0 HA GLU A 30 -8.416 15.508 -4.069 1.00 0.72 H new ATOM 0 HB2 GLU A 30 -9.461 13.304 -2.242 1.00 0.80 H new ATOM 0 HB3 GLU A 30 -9.380 15.021 -1.901 1.00 0.80 H new ATOM 0 HG2 GLU A 30 -11.030 15.285 -3.919 1.00 0.93 H new ATOM 0 HG3 GLU A 30 -11.296 13.562 -3.744 1.00 0.93 H new ATOM 451 N GLN A 31 -6.181 14.916 -2.972 1.00 0.82 N ATOM 452 CA GLN A 31 -4.948 14.575 -2.249 1.00 0.94 C ATOM 453 C GLN A 31 -5.070 14.958 -0.772 1.00 0.98 C ATOM 454 O GLN A 31 -5.486 16.077 -0.449 1.00 1.09 O ATOM 455 CB GLN A 31 -3.703 15.195 -2.907 1.00 1.09 C ATOM 456 CG GLN A 31 -3.178 14.356 -4.094 1.00 1.39 C ATOM 457 CD GLN A 31 -1.724 13.911 -3.910 1.00 2.20 C ATOM 458 OE1 GLN A 31 -0.831 14.286 -4.669 1.00 2.63 O ATOM 459 NE2 GLN A 31 -1.427 13.101 -2.915 1.00 2.78 N ATOM 0 H GLN A 31 -6.246 15.895 -3.249 1.00 0.82 H new ATOM 0 HA GLN A 31 -4.814 13.495 -2.304 1.00 0.94 H new ATOM 0 HB2 GLN A 31 -3.943 16.200 -3.255 1.00 1.09 H new ATOM 0 HB3 GLN A 31 -2.915 15.296 -2.161 1.00 1.09 H new ATOM 0 HG2 GLN A 31 -3.809 13.476 -4.218 1.00 1.39 H new ATOM 0 HG3 GLN A 31 -3.261 14.940 -5.011 1.00 1.39 H new ATOM 0 HE21 GLN A 31 -2.159 12.784 -2.280 1.00 2.78 H new ATOM 0 HE22 GLN A 31 -0.465 12.791 -2.780 1.00 2.78 H new ATOM 468 N VAL A 32 -4.729 14.009 0.106 1.00 0.95 N ATOM 469 CA VAL A 32 -4.824 14.138 1.570 1.00 0.97 C ATOM 470 C VAL A 32 -3.647 13.483 2.303 1.00 1.00 C ATOM 471 O VAL A 32 -2.904 12.674 1.736 1.00 1.00 O ATOM 472 CB VAL A 32 -6.153 13.559 2.115 1.00 1.03 C ATOM 473 CG1 VAL A 32 -7.405 14.088 1.399 1.00 1.00 C ATOM 474 CG2 VAL A 32 -6.219 12.030 2.055 1.00 1.11 C ATOM 0 H VAL A 32 -4.368 13.101 -0.188 1.00 0.95 H new ATOM 0 HA VAL A 32 -4.793 15.209 1.768 1.00 0.97 H new ATOM 0 HB VAL A 32 -6.153 13.898 3.151 1.00 1.03 H new ATOM 0 HG11 VAL A 32 -8.294 13.635 1.838 1.00 1.00 H new ATOM 0 HG12 VAL A 32 -7.457 15.171 1.509 1.00 1.00 H new ATOM 0 HG13 VAL A 32 -7.354 13.833 0.340 1.00 1.00 H new ATOM 0 HG21 VAL A 32 -7.176 11.691 2.452 1.00 1.11 H new ATOM 0 HG22 VAL A 32 -6.119 11.702 1.020 1.00 1.11 H new ATOM 0 HG23 VAL A 32 -5.409 11.607 2.650 1.00 1.11 H new ATOM 484 N ASP A 33 -3.541 13.769 3.601 1.00 1.10 N ATOM 485 CA ASP A 33 -2.646 13.055 4.513 1.00 1.17 C ATOM 486 C ASP A 33 -3.277 11.695 4.901 1.00 1.15 C ATOM 487 O ASP A 33 -4.489 11.595 5.101 1.00 1.15 O ATOM 488 CB ASP A 33 -2.325 13.943 5.725 1.00 1.27 C ATOM 489 CG ASP A 33 -1.589 15.243 5.390 1.00 1.91 C ATOM 490 OD1 ASP A 33 -0.808 15.290 4.407 1.00 2.58 O ATOM 491 OD2 ASP A 33 -1.730 16.231 6.148 1.00 3.13 O ATOM 0 H ASP A 33 -4.078 14.509 4.053 1.00 1.10 H new ATOM 0 HA ASP A 33 -1.697 12.835 4.025 1.00 1.17 H new ATOM 0 HB2 ASP A 33 -3.257 14.190 6.234 1.00 1.27 H new ATOM 0 HB3 ASP A 33 -1.720 13.370 6.428 1.00 1.27 H new ATOM 496 N VAL A 34 -2.477 10.623 4.970 1.00 1.16 N ATOM 497 CA VAL A 34 -2.967 9.226 5.086 1.00 1.19 C ATOM 498 C VAL A 34 -3.826 8.919 6.331 1.00 1.32 C ATOM 499 O VAL A 34 -4.659 8.014 6.286 1.00 1.42 O ATOM 500 CB VAL A 34 -1.785 8.247 4.938 1.00 1.31 C ATOM 501 CG1 VAL A 34 -0.879 8.202 6.172 1.00 1.57 C ATOM 502 CG2 VAL A 34 -2.243 6.826 4.596 1.00 1.48 C ATOM 0 H VAL A 34 -1.460 10.692 4.947 1.00 1.16 H new ATOM 0 HA VAL A 34 -3.669 9.087 4.264 1.00 1.19 H new ATOM 0 HB VAL A 34 -1.203 8.642 4.105 1.00 1.31 H new ATOM 0 HG11 VAL A 34 -0.068 7.494 6.002 1.00 1.57 H new ATOM 0 HG12 VAL A 34 -0.464 9.193 6.355 1.00 1.57 H new ATOM 0 HG13 VAL A 34 -1.460 7.887 7.039 1.00 1.57 H new ATOM 0 HG21 VAL A 34 -1.373 6.176 4.503 1.00 1.48 H new ATOM 0 HG22 VAL A 34 -2.892 6.452 5.388 1.00 1.48 H new ATOM 0 HG23 VAL A 34 -2.790 6.837 3.653 1.00 1.48 H new ATOM 512 N GLU A 35 -3.720 9.691 7.413 1.00 1.45 N ATOM 513 CA GLU A 35 -4.600 9.590 8.597 1.00 1.62 C ATOM 514 C GLU A 35 -6.077 9.937 8.283 1.00 1.59 C ATOM 515 O GLU A 35 -6.993 9.541 9.015 1.00 1.74 O ATOM 516 CB GLU A 35 -4.046 10.540 9.680 1.00 1.81 C ATOM 517 CG GLU A 35 -4.443 10.193 11.121 1.00 2.28 C ATOM 518 CD GLU A 35 -3.583 9.051 11.674 1.00 3.57 C ATOM 519 OE1 GLU A 35 -2.412 9.286 12.063 1.00 3.76 O ATOM 520 OE2 GLU A 35 -4.057 7.893 11.734 1.00 5.14 O ATOM 0 H GLU A 35 -3.011 10.419 7.501 1.00 1.45 H new ATOM 0 HA GLU A 35 -4.601 8.556 8.941 1.00 1.62 H new ATOM 0 HB2 GLU A 35 -2.958 10.547 9.612 1.00 1.81 H new ATOM 0 HB3 GLU A 35 -4.386 11.552 9.461 1.00 1.81 H new ATOM 0 HG2 GLU A 35 -4.333 11.074 11.753 1.00 2.28 H new ATOM 0 HG3 GLU A 35 -5.495 9.908 11.153 1.00 2.28 H new ATOM 527 N LEU A 36 -6.310 10.674 7.187 1.00 1.42 N ATOM 528 CA LEU A 36 -7.583 11.305 6.809 1.00 1.35 C ATOM 529 C LEU A 36 -8.402 10.518 5.767 1.00 1.18 C ATOM 530 O LEU A 36 -9.517 10.928 5.421 1.00 1.11 O ATOM 531 CB LEU A 36 -7.294 12.731 6.293 1.00 1.38 C ATOM 532 CG LEU A 36 -6.345 13.598 7.145 1.00 1.54 C ATOM 533 CD1 LEU A 36 -6.200 14.978 6.505 1.00 1.63 C ATOM 534 CD2 LEU A 36 -6.850 13.784 8.572 1.00 1.72 C ATOM 0 H LEU A 36 -5.575 10.856 6.503 1.00 1.42 H new ATOM 0 HA LEU A 36 -8.204 11.324 7.705 1.00 1.35 H new ATOM 0 HB2 LEU A 36 -6.874 12.651 5.291 1.00 1.38 H new ATOM 0 HB3 LEU A 36 -8.244 13.258 6.199 1.00 1.38 H new ATOM 0 HG LEU A 36 -5.388 13.078 7.185 1.00 1.54 H new ATOM 0 HD11 LEU A 36 -5.529 15.590 7.108 1.00 1.63 H new ATOM 0 HD12 LEU A 36 -5.790 14.872 5.501 1.00 1.63 H new ATOM 0 HD13 LEU A 36 -7.177 15.458 6.449 1.00 1.63 H new ATOM 0 HD21 LEU A 36 -6.146 14.402 9.130 1.00 1.72 H new ATOM 0 HD22 LEU A 36 -7.824 14.272 8.552 1.00 1.72 H new ATOM 0 HD23 LEU A 36 -6.941 12.811 9.055 1.00 1.72 H new ATOM 546 N VAL A 37 -7.854 9.415 5.235 1.00 1.15 N ATOM 547 CA VAL A 37 -8.452 8.670 4.108 1.00 1.01 C ATOM 548 C VAL A 37 -9.678 7.850 4.527 1.00 1.79 C ATOM 549 O VAL A 37 -10.699 7.893 3.842 1.00 4.01 O ATOM 550 CB VAL A 37 -7.415 7.798 3.358 1.00 0.92 C ATOM 551 CG1 VAL A 37 -6.215 8.621 2.891 1.00 1.64 C ATOM 552 CG2 VAL A 37 -6.909 6.581 4.143 1.00 1.81 C ATOM 0 H VAL A 37 -6.981 9.010 5.573 1.00 1.15 H new ATOM 0 HA VAL A 37 -8.802 9.426 3.405 1.00 1.01 H new ATOM 0 HB VAL A 37 -7.968 7.415 2.500 1.00 0.92 H new ATOM 0 HG11 VAL A 37 -5.510 7.973 2.369 1.00 1.64 H new ATOM 0 HG12 VAL A 37 -6.553 9.407 2.216 1.00 1.64 H new ATOM 0 HG13 VAL A 37 -5.724 9.070 3.754 1.00 1.64 H new ATOM 0 HG21 VAL A 37 -6.188 6.032 3.538 1.00 1.81 H new ATOM 0 HG22 VAL A 37 -6.431 6.915 5.064 1.00 1.81 H new ATOM 0 HG23 VAL A 37 -7.749 5.930 4.386 1.00 1.81 H new ATOM 562 N GLN A 38 -9.606 7.176 5.682 1.00 0.82 N ATOM 563 CA GLN A 38 -10.553 6.195 6.221 1.00 0.85 C ATOM 564 C GLN A 38 -10.782 4.931 5.363 1.00 0.77 C ATOM 565 O GLN A 38 -10.704 4.934 4.135 1.00 0.76 O ATOM 566 CB GLN A 38 -11.806 6.885 6.766 1.00 0.95 C ATOM 567 CG GLN A 38 -11.394 7.852 7.897 1.00 1.92 C ATOM 568 CD GLN A 38 -12.579 8.494 8.563 1.00 2.27 C ATOM 569 OE1 GLN A 38 -12.795 8.398 9.763 1.00 3.49 O ATOM 570 NE2 GLN A 38 -13.384 9.188 7.813 1.00 1.97 N ATOM 0 H GLN A 38 -8.818 7.315 6.315 1.00 0.82 H new ATOM 0 HA GLN A 38 -10.066 5.737 7.082 1.00 0.85 H new ATOM 0 HB2 GLN A 38 -12.312 7.431 5.970 1.00 0.95 H new ATOM 0 HB3 GLN A 38 -12.511 6.144 7.142 1.00 0.95 H new ATOM 0 HG2 GLN A 38 -10.812 7.309 8.642 1.00 1.92 H new ATOM 0 HG3 GLN A 38 -10.745 8.628 7.490 1.00 1.92 H new ATOM 0 HE21 GLN A 38 -13.206 9.269 6.812 1.00 1.97 H new ATOM 0 HE22 GLN A 38 -14.194 9.651 8.226 1.00 1.97 H new ATOM 579 N ARG A 39 -11.030 3.804 6.042 1.00 0.75 N ATOM 580 CA ARG A 39 -11.015 2.437 5.456 1.00 0.73 C ATOM 581 C ARG A 39 -12.267 2.002 4.678 1.00 0.92 C ATOM 582 O ARG A 39 -12.553 0.809 4.560 1.00 1.93 O ATOM 583 CB ARG A 39 -10.552 1.417 6.504 1.00 0.87 C ATOM 584 CG ARG A 39 -11.634 1.087 7.540 1.00 1.03 C ATOM 585 CD ARG A 39 -10.989 0.599 8.837 1.00 1.25 C ATOM 586 NE ARG A 39 -11.982 0.396 9.906 1.00 1.46 N ATOM 587 CZ ARG A 39 -12.034 -0.593 10.776 1.00 2.27 C ATOM 588 NH1 ARG A 39 -11.359 -1.693 10.624 1.00 3.16 N ATOM 589 NH2 ARG A 39 -12.791 -0.482 11.826 1.00 2.50 N ATOM 0 H ARG A 39 -11.253 3.806 7.037 1.00 0.75 H new ATOM 0 HA ARG A 39 -10.279 2.478 4.653 1.00 0.73 H new ATOM 0 HB2 ARG A 39 -10.248 0.500 6.000 1.00 0.87 H new ATOM 0 HB3 ARG A 39 -9.672 1.806 7.017 1.00 0.87 H new ATOM 0 HG2 ARG A 39 -12.241 1.970 7.737 1.00 1.03 H new ATOM 0 HG3 ARG A 39 -12.303 0.321 7.147 1.00 1.03 H new ATOM 0 HD2 ARG A 39 -10.462 -0.336 8.650 1.00 1.25 H new ATOM 0 HD3 ARG A 39 -10.245 1.324 9.167 1.00 1.25 H new ATOM 0 HE ARG A 39 -12.714 1.102 9.982 1.00 1.46 H new ATOM 0 HH11 ARG A 39 -10.760 -1.815 9.807 1.00 3.16 H new ATOM 0 HH12 ARG A 39 -11.428 -2.434 11.321 1.00 3.16 H new ATOM 0 HH21 ARG A 39 -13.339 0.366 11.972 1.00 2.50 H new ATOM 0 HH22 ARG A 39 -12.837 -1.242 12.504 1.00 2.50 H new ATOM 603 N GLY A 40 -13.017 2.961 4.148 1.00 0.85 N ATOM 604 CA GLY A 40 -14.125 2.745 3.215 1.00 0.84 C ATOM 605 C GLY A 40 -13.922 3.418 1.852 1.00 0.84 C ATOM 606 O GLY A 40 -14.856 3.451 1.052 1.00 1.03 O ATOM 0 H GLY A 40 -12.868 3.947 4.362 1.00 0.85 H new ATOM 0 HA2 GLY A 40 -14.259 1.674 3.065 1.00 0.84 H new ATOM 0 HA3 GLY A 40 -15.045 3.122 3.663 1.00 0.84 H new ATOM 610 N ASP A 41 -12.736 3.973 1.574 1.00 0.78 N ATOM 611 CA ASP A 41 -12.404 4.690 0.333 1.00 0.80 C ATOM 612 C ASP A 41 -11.486 3.903 -0.625 1.00 0.64 C ATOM 613 O ASP A 41 -10.944 2.846 -0.281 1.00 0.63 O ATOM 614 CB ASP A 41 -11.839 6.078 0.685 1.00 0.95 C ATOM 615 CG ASP A 41 -12.967 7.101 0.780 1.00 1.54 C ATOM 616 OD1 ASP A 41 -13.397 7.610 -0.285 1.00 2.90 O ATOM 617 OD2 ASP A 41 -13.476 7.351 1.896 1.00 2.02 O ATOM 0 H ASP A 41 -11.954 3.935 2.227 1.00 0.78 H new ATOM 0 HA ASP A 41 -13.328 4.810 -0.233 1.00 0.80 H new ATOM 0 HB2 ASP A 41 -11.302 6.030 1.632 1.00 0.95 H new ATOM 0 HB3 ASP A 41 -11.120 6.389 -0.073 1.00 0.95 H new ATOM 622 N ILE A 42 -11.339 4.436 -1.845 1.00 0.63 N ATOM 623 CA ILE A 42 -10.565 3.889 -2.967 1.00 0.65 C ATOM 624 C ILE A 42 -9.495 4.903 -3.401 1.00 0.55 C ATOM 625 O ILE A 42 -9.789 6.076 -3.651 1.00 0.51 O ATOM 626 CB ILE A 42 -11.499 3.492 -4.137 1.00 0.81 C ATOM 627 CG1 ILE A 42 -12.525 2.422 -3.689 1.00 1.01 C ATOM 628 CG2 ILE A 42 -10.682 2.973 -5.339 1.00 0.90 C ATOM 629 CD1 ILE A 42 -13.613 2.114 -4.723 1.00 1.26 C ATOM 0 H ILE A 42 -11.787 5.319 -2.091 1.00 0.63 H new ATOM 0 HA ILE A 42 -10.057 2.980 -2.646 1.00 0.65 H new ATOM 0 HB ILE A 42 -12.043 4.385 -4.445 1.00 0.81 H new ATOM 0 HG12 ILE A 42 -11.992 1.500 -3.456 1.00 1.01 H new ATOM 0 HG13 ILE A 42 -13.001 2.757 -2.767 1.00 1.01 H new ATOM 0 HG21 ILE A 42 -11.359 2.700 -6.149 1.00 0.90 H new ATOM 0 HG22 ILE A 42 -10.003 3.754 -5.682 1.00 0.90 H new ATOM 0 HG23 ILE A 42 -10.106 2.098 -5.037 1.00 0.90 H new ATOM 0 HD11 ILE A 42 -14.287 1.355 -4.327 1.00 1.26 H new ATOM 0 HD12 ILE A 42 -14.176 3.022 -4.940 1.00 1.26 H new ATOM 0 HD13 ILE A 42 -13.151 1.746 -5.639 1.00 1.26 H new ATOM 641 N ILE A 43 -8.247 4.440 -3.480 1.00 0.58 N ATOM 642 CA ILE A 43 -7.029 5.232 -3.667 1.00 0.61 C ATOM 643 C ILE A 43 -6.354 4.877 -5.002 1.00 0.68 C ATOM 644 O ILE A 43 -6.173 3.700 -5.327 1.00 0.77 O ATOM 645 CB ILE A 43 -6.062 4.962 -2.485 1.00 0.67 C ATOM 646 CG1 ILE A 43 -6.709 5.072 -1.081 1.00 0.67 C ATOM 647 CG2 ILE A 43 -4.822 5.867 -2.556 1.00 0.75 C ATOM 648 CD1 ILE A 43 -7.343 6.428 -0.750 1.00 0.69 C ATOM 0 H ILE A 43 -8.047 3.442 -3.411 1.00 0.58 H new ATOM 0 HA ILE A 43 -7.288 6.291 -3.691 1.00 0.61 H new ATOM 0 HB ILE A 43 -5.769 3.919 -2.607 1.00 0.67 H new ATOM 0 HG12 ILE A 43 -7.475 4.301 -0.992 1.00 0.67 H new ATOM 0 HG13 ILE A 43 -5.948 4.854 -0.332 1.00 0.67 H new ATOM 0 HG21 ILE A 43 -4.166 5.652 -1.713 1.00 0.75 H new ATOM 0 HG22 ILE A 43 -4.288 5.681 -3.488 1.00 0.75 H new ATOM 0 HG23 ILE A 43 -5.131 6.912 -2.517 1.00 0.75 H new ATOM 0 HD11 ILE A 43 -7.766 6.397 0.254 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -6.582 7.207 -0.799 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -8.132 6.646 -1.469 1.00 0.69 H new ATOM 660 N LYS A 44 -5.952 5.896 -5.767 1.00 0.75 N ATOM 661 CA LYS A 44 -5.207 5.769 -7.030 1.00 0.82 C ATOM 662 C LYS A 44 -3.718 5.517 -6.826 1.00 0.78 C ATOM 663 O LYS A 44 -3.104 6.123 -5.944 1.00 1.12 O ATOM 664 CB LYS A 44 -5.343 7.072 -7.837 1.00 1.31 C ATOM 665 CG LYS A 44 -6.762 7.384 -8.314 1.00 2.28 C ATOM 666 CD LYS A 44 -7.315 6.358 -9.307 1.00 2.19 C ATOM 667 CE LYS A 44 -6.521 6.140 -10.601 1.00 1.82 C ATOM 668 NZ LYS A 44 -6.328 7.386 -11.373 1.00 2.53 N ATOM 0 H LYS A 44 -6.141 6.867 -5.518 1.00 0.75 H new ATOM 0 HA LYS A 44 -5.634 4.912 -7.552 1.00 0.82 H new ATOM 0 HB2 LYS A 44 -4.990 7.901 -7.224 1.00 1.31 H new ATOM 0 HB3 LYS A 44 -4.687 7.016 -8.705 1.00 1.31 H new ATOM 0 HG2 LYS A 44 -7.424 7.434 -7.450 1.00 2.28 H new ATOM 0 HG3 LYS A 44 -6.771 8.369 -8.780 1.00 2.28 H new ATOM 0 HD2 LYS A 44 -7.395 5.400 -8.794 1.00 2.19 H new ATOM 0 HD3 LYS A 44 -8.327 6.660 -9.578 1.00 2.19 H new ATOM 0 HE2 LYS A 44 -5.547 5.715 -10.357 1.00 1.82 H new ATOM 0 HE3 LYS A 44 -7.041 5.410 -11.222 1.00 1.82 H new ATOM 0 HZ1 LYS A 44 -5.786 7.179 -12.236 1.00 2.53 H new ATOM 0 HZ2 LYS A 44 -7.255 7.781 -11.632 1.00 2.53 H new ATOM 0 HZ3 LYS A 44 -5.808 8.076 -10.794 1.00 2.53 H new ATOM 682 N VAL A 45 -3.133 4.683 -7.688 1.00 0.58 N ATOM 683 CA VAL A 45 -1.673 4.513 -7.787 1.00 0.55 C ATOM 684 C VAL A 45 -1.186 4.552 -9.242 1.00 0.53 C ATOM 685 O VAL A 45 -1.717 3.851 -10.105 1.00 0.57 O ATOM 686 CB VAL A 45 -1.206 3.255 -7.020 1.00 0.56 C ATOM 687 CG1 VAL A 45 -1.286 1.957 -7.828 1.00 0.68 C ATOM 688 CG2 VAL A 45 0.240 3.411 -6.533 1.00 0.61 C ATOM 0 H VAL A 45 -3.657 4.102 -8.342 1.00 0.58 H new ATOM 0 HA VAL A 45 -1.202 5.366 -7.299 1.00 0.55 H new ATOM 0 HB VAL A 45 -1.902 3.175 -6.185 1.00 0.56 H new ATOM 0 HG11 VAL A 45 -0.940 1.125 -7.215 1.00 0.68 H new ATOM 0 HG12 VAL A 45 -2.318 1.780 -8.131 1.00 0.68 H new ATOM 0 HG13 VAL A 45 -0.657 2.041 -8.714 1.00 0.68 H new ATOM 0 HG21 VAL A 45 0.542 2.511 -5.997 1.00 0.61 H new ATOM 0 HG22 VAL A 45 0.898 3.562 -7.389 1.00 0.61 H new ATOM 0 HG23 VAL A 45 0.309 4.271 -5.867 1.00 0.61 H new ATOM 698 N VAL A 46 -0.145 5.348 -9.505 1.00 0.59 N ATOM 699 CA VAL A 46 0.537 5.448 -10.813 1.00 0.65 C ATOM 700 C VAL A 46 1.616 4.369 -11.018 1.00 0.62 C ATOM 701 O VAL A 46 2.096 3.773 -10.046 1.00 0.57 O ATOM 702 CB VAL A 46 1.186 6.842 -11.008 1.00 0.87 C ATOM 703 CG1 VAL A 46 0.133 7.917 -11.271 1.00 1.25 C ATOM 704 CG2 VAL A 46 2.081 7.279 -9.840 1.00 0.78 C ATOM 0 H VAL A 46 0.263 5.960 -8.799 1.00 0.59 H new ATOM 0 HA VAL A 46 -0.245 5.292 -11.556 1.00 0.65 H new ATOM 0 HB VAL A 46 1.828 6.733 -11.882 1.00 0.87 H new ATOM 0 HG11 VAL A 46 0.623 8.882 -11.403 1.00 1.25 H new ATOM 0 HG12 VAL A 46 -0.425 7.667 -12.173 1.00 1.25 H new ATOM 0 HG13 VAL A 46 -0.552 7.971 -10.424 1.00 1.25 H new ATOM 0 HG21 VAL A 46 2.499 8.264 -10.050 1.00 0.78 H new ATOM 0 HG22 VAL A 46 1.490 7.323 -8.925 1.00 0.78 H new ATOM 0 HG23 VAL A 46 2.891 6.561 -9.714 1.00 0.78 H new ATOM 714 N PRO A 47 2.061 4.118 -12.265 1.00 0.74 N ATOM 715 CA PRO A 47 3.267 3.332 -12.524 1.00 0.82 C ATOM 716 C PRO A 47 4.501 3.996 -11.878 1.00 0.80 C ATOM 717 O PRO A 47 4.729 5.205 -12.004 1.00 0.93 O ATOM 718 CB PRO A 47 3.393 3.254 -14.048 1.00 1.04 C ATOM 719 CG PRO A 47 2.583 4.448 -14.552 1.00 0.95 C ATOM 720 CD PRO A 47 1.463 4.549 -13.523 1.00 0.89 C ATOM 0 HA PRO A 47 3.204 2.334 -12.089 1.00 0.82 H new ATOM 0 HB2 PRO A 47 4.434 3.316 -14.365 1.00 1.04 H new ATOM 0 HB3 PRO A 47 2.998 2.314 -14.433 1.00 1.04 H new ATOM 0 HG2 PRO A 47 3.182 5.358 -14.589 1.00 0.95 H new ATOM 0 HG3 PRO A 47 2.196 4.280 -15.557 1.00 0.95 H new ATOM 0 HD2 PRO A 47 1.085 5.569 -13.451 1.00 0.89 H new ATOM 0 HD3 PRO A 47 0.619 3.915 -13.796 1.00 0.89 H new ATOM 728 N GLY A 48 5.283 3.199 -11.150 1.00 0.74 N ATOM 729 CA GLY A 48 6.393 3.635 -10.297 1.00 0.76 C ATOM 730 C GLY A 48 5.970 4.215 -8.939 1.00 0.72 C ATOM 731 O GLY A 48 6.838 4.580 -8.138 1.00 0.89 O ATOM 0 H GLY A 48 5.156 2.187 -11.137 1.00 0.74 H new ATOM 0 HA2 GLY A 48 7.055 2.787 -10.124 1.00 0.76 H new ATOM 0 HA3 GLY A 48 6.972 4.387 -10.833 1.00 0.76 H new ATOM 735 N GLY A 49 4.664 4.348 -8.681 1.00 0.64 N ATOM 736 CA GLY A 49 4.114 4.833 -7.416 1.00 0.67 C ATOM 737 C GLY A 49 4.199 3.818 -6.276 1.00 0.66 C ATOM 738 O GLY A 49 4.508 2.643 -6.483 1.00 0.96 O ATOM 0 H GLY A 49 3.945 4.115 -9.365 1.00 0.64 H new ATOM 0 HA2 GLY A 49 4.645 5.739 -7.124 1.00 0.67 H new ATOM 0 HA3 GLY A 49 3.070 5.109 -7.567 1.00 0.67 H new ATOM 742 N LYS A 50 3.903 4.275 -5.058 1.00 0.62 N ATOM 743 CA LYS A 50 3.934 3.462 -3.830 1.00 0.62 C ATOM 744 C LYS A 50 2.537 3.325 -3.230 1.00 0.70 C ATOM 745 O LYS A 50 1.752 4.274 -3.263 1.00 1.01 O ATOM 746 CB LYS A 50 4.923 4.079 -2.828 1.00 0.73 C ATOM 747 CG LYS A 50 6.383 3.912 -3.278 1.00 0.69 C ATOM 748 CD LYS A 50 7.328 4.705 -2.369 1.00 0.94 C ATOM 749 CE LYS A 50 8.788 4.386 -2.700 1.00 1.01 C ATOM 750 NZ LYS A 50 9.714 5.249 -1.933 1.00 1.57 N ATOM 0 H LYS A 50 3.628 5.243 -4.889 1.00 0.62 H new ATOM 0 HA LYS A 50 4.275 2.456 -4.076 1.00 0.62 H new ATOM 0 HB2 LYS A 50 4.701 5.139 -2.706 1.00 0.73 H new ATOM 0 HB3 LYS A 50 4.789 3.611 -1.853 1.00 0.73 H new ATOM 0 HG2 LYS A 50 6.655 2.857 -3.260 1.00 0.69 H new ATOM 0 HG3 LYS A 50 6.492 4.252 -4.308 1.00 0.69 H new ATOM 0 HD2 LYS A 50 7.147 5.773 -2.490 1.00 0.94 H new ATOM 0 HD3 LYS A 50 7.125 4.464 -1.326 1.00 0.94 H new ATOM 0 HE2 LYS A 50 8.994 3.339 -2.476 1.00 1.01 H new ATOM 0 HE3 LYS A 50 8.960 4.523 -3.768 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 10.696 5.009 -2.179 1.00 1.57 H new ATOM 0 HZ2 LYS A 50 9.532 6.246 -2.166 1.00 1.57 H new ATOM 0 HZ3 LYS A 50 9.565 5.099 -0.915 1.00 1.57 H new ATOM 764 N PHE A 51 2.231 2.165 -2.649 1.00 0.61 N ATOM 765 CA PHE A 51 0.960 1.940 -1.949 1.00 0.63 C ATOM 766 C PHE A 51 1.021 2.564 -0.535 1.00 0.65 C ATOM 767 O PHE A 51 1.884 2.165 0.253 1.00 0.67 O ATOM 768 CB PHE A 51 0.635 0.436 -1.893 1.00 0.64 C ATOM 769 CG PHE A 51 0.519 -0.242 -3.250 1.00 0.55 C ATOM 770 CD1 PHE A 51 -0.714 -0.314 -3.927 1.00 1.66 C ATOM 771 CD2 PHE A 51 1.658 -0.816 -3.839 1.00 1.55 C ATOM 772 CE1 PHE A 51 -0.793 -0.957 -5.178 1.00 1.60 C ATOM 773 CE2 PHE A 51 1.583 -1.445 -5.091 1.00 1.65 C ATOM 774 CZ PHE A 51 0.355 -1.515 -5.766 1.00 0.66 C ATOM 0 H PHE A 51 2.852 1.356 -2.648 1.00 0.61 H new ATOM 0 HA PHE A 51 0.155 2.427 -2.499 1.00 0.63 H new ATOM 0 HB2 PHE A 51 1.410 -0.068 -1.316 1.00 0.64 H new ATOM 0 HB3 PHE A 51 -0.302 0.301 -1.354 1.00 0.64 H new ATOM 0 HD1 PHE A 51 -1.598 0.123 -3.487 1.00 1.66 H new ATOM 0 HD2 PHE A 51 2.605 -0.773 -3.321 1.00 1.55 H new ATOM 0 HE1 PHE A 51 -1.742 -1.022 -5.689 1.00 1.60 H new ATOM 0 HE2 PHE A 51 2.469 -1.875 -5.534 1.00 1.65 H new ATOM 0 HZ PHE A 51 0.292 -1.995 -6.732 1.00 0.66 H new ATOM 784 N PRO A 52 0.140 3.518 -0.167 1.00 0.68 N ATOM 785 CA PRO A 52 0.213 4.205 1.129 1.00 0.67 C ATOM 786 C PRO A 52 -0.490 3.456 2.279 1.00 0.67 C ATOM 787 O PRO A 52 -0.307 3.816 3.443 1.00 0.72 O ATOM 788 CB PRO A 52 -0.426 5.574 0.871 1.00 0.74 C ATOM 789 CG PRO A 52 -1.489 5.278 -0.184 1.00 0.76 C ATOM 790 CD PRO A 52 -0.854 4.166 -1.021 1.00 0.72 C ATOM 0 HA PRO A 52 1.246 4.273 1.470 1.00 0.67 H new ATOM 0 HB2 PRO A 52 -0.865 5.989 1.778 1.00 0.74 H new ATOM 0 HB3 PRO A 52 0.306 6.297 0.511 1.00 0.74 H new ATOM 0 HG2 PRO A 52 -2.426 4.955 0.269 1.00 0.76 H new ATOM 0 HG3 PRO A 52 -1.713 6.158 -0.787 1.00 0.76 H new ATOM 0 HD2 PRO A 52 -1.607 3.451 -1.351 1.00 0.72 H new ATOM 0 HD3 PRO A 52 -0.388 4.574 -1.918 1.00 0.72 H new ATOM 798 N VAL A 53 -1.290 2.434 1.954 1.00 0.65 N ATOM 799 CA VAL A 53 -2.177 1.646 2.833 1.00 0.71 C ATOM 800 C VAL A 53 -2.282 0.208 2.298 1.00 0.63 C ATOM 801 O VAL A 53 -1.898 -0.039 1.154 1.00 0.64 O ATOM 802 CB VAL A 53 -3.584 2.268 2.941 1.00 0.93 C ATOM 803 CG1 VAL A 53 -3.559 3.618 3.666 1.00 1.26 C ATOM 804 CG2 VAL A 53 -4.252 2.449 1.574 1.00 1.05 C ATOM 0 H VAL A 53 -1.342 2.105 0.990 1.00 0.65 H new ATOM 0 HA VAL A 53 -1.742 1.644 3.832 1.00 0.71 H new ATOM 0 HB VAL A 53 -4.171 1.558 3.524 1.00 0.93 H new ATOM 0 HG11 VAL A 53 -4.570 4.021 3.720 1.00 1.26 H new ATOM 0 HG12 VAL A 53 -3.168 3.482 4.674 1.00 1.26 H new ATOM 0 HG13 VAL A 53 -2.921 4.312 3.120 1.00 1.26 H new ATOM 0 HG21 VAL A 53 -5.240 2.890 1.707 1.00 1.05 H new ATOM 0 HG22 VAL A 53 -3.641 3.106 0.955 1.00 1.05 H new ATOM 0 HG23 VAL A 53 -4.351 1.479 1.086 1.00 1.05 H new ATOM 814 N ASP A 54 -2.783 -0.739 3.097 1.00 0.66 N ATOM 815 CA ASP A 54 -2.999 -2.133 2.674 1.00 0.63 C ATOM 816 C ASP A 54 -4.479 -2.462 2.384 1.00 0.59 C ATOM 817 O ASP A 54 -5.404 -1.914 3.000 1.00 0.69 O ATOM 818 CB ASP A 54 -2.326 -3.106 3.654 1.00 0.77 C ATOM 819 CG ASP A 54 -3.010 -3.195 5.014 1.00 1.04 C ATOM 820 OD1 ASP A 54 -2.618 -2.445 5.934 1.00 2.25 O ATOM 821 OD2 ASP A 54 -3.882 -4.073 5.179 1.00 1.32 O ATOM 0 H ASP A 54 -3.053 -0.562 4.064 1.00 0.66 H new ATOM 0 HA ASP A 54 -2.509 -2.264 1.709 1.00 0.63 H new ATOM 0 HB2 ASP A 54 -2.304 -4.099 3.205 1.00 0.77 H new ATOM 0 HB3 ASP A 54 -1.290 -2.799 3.800 1.00 0.77 H new ATOM 826 N GLY A 55 -4.709 -3.334 1.397 1.00 0.56 N ATOM 827 CA GLY A 55 -6.049 -3.636 0.890 1.00 0.62 C ATOM 828 C GLY A 55 -6.073 -4.368 -0.455 1.00 0.52 C ATOM 829 O GLY A 55 -5.139 -5.099 -0.797 1.00 0.55 O ATOM 0 H GLY A 55 -3.967 -3.852 0.926 1.00 0.56 H new ATOM 0 HA2 GLY A 55 -6.574 -4.243 1.628 1.00 0.62 H new ATOM 0 HA3 GLY A 55 -6.604 -2.703 0.791 1.00 0.62 H new ATOM 833 N ARG A 56 -7.166 -4.180 -1.207 1.00 0.51 N ATOM 834 CA ARG A 56 -7.494 -4.953 -2.421 1.00 0.51 C ATOM 835 C ARG A 56 -7.544 -4.082 -3.683 1.00 0.50 C ATOM 836 O ARG A 56 -8.177 -3.027 -3.695 1.00 0.50 O ATOM 837 CB ARG A 56 -8.802 -5.720 -2.161 1.00 0.60 C ATOM 838 CG ARG A 56 -9.080 -6.904 -3.100 1.00 0.66 C ATOM 839 CD ARG A 56 -10.393 -7.615 -2.722 1.00 0.79 C ATOM 840 NE ARG A 56 -11.596 -6.834 -3.092 1.00 1.95 N ATOM 841 CZ ARG A 56 -12.257 -5.955 -2.355 1.00 3.06 C ATOM 842 NH1 ARG A 56 -11.984 -5.684 -1.114 1.00 4.00 N ATOM 843 NH2 ARG A 56 -13.248 -5.269 -2.838 1.00 4.23 N ATOM 0 H ARG A 56 -7.865 -3.471 -0.986 1.00 0.51 H new ATOM 0 HA ARG A 56 -6.697 -5.668 -2.625 1.00 0.51 H new ATOM 0 HB2 ARG A 56 -8.787 -6.089 -1.136 1.00 0.60 H new ATOM 0 HB3 ARG A 56 -9.633 -5.019 -2.235 1.00 0.60 H new ATOM 0 HG2 ARG A 56 -9.138 -6.550 -4.129 1.00 0.66 H new ATOM 0 HG3 ARG A 56 -8.253 -7.612 -3.052 1.00 0.66 H new ATOM 0 HD2 ARG A 56 -10.430 -8.586 -3.216 1.00 0.79 H new ATOM 0 HD3 ARG A 56 -10.403 -7.802 -1.648 1.00 0.79 H new ATOM 0 HE ARG A 56 -11.960 -6.993 -4.031 1.00 1.95 H new ATOM 0 HH11 ARG A 56 -11.215 -6.162 -0.645 1.00 4.00 H new ATOM 0 HH12 ARG A 56 -12.539 -4.993 -0.609 1.00 4.00 H new ATOM 0 HH21 ARG A 56 -13.535 -5.401 -3.808 1.00 4.23 H new ATOM 0 HH22 ARG A 56 -13.740 -4.598 -2.247 1.00 4.23 H new ATOM 857 N VAL A 57 -6.892 -4.537 -4.751 1.00 0.58 N ATOM 858 CA VAL A 57 -6.866 -3.935 -6.095 1.00 0.56 C ATOM 859 C VAL A 57 -8.117 -4.380 -6.847 1.00 0.56 C ATOM 860 O VAL A 57 -8.367 -5.581 -6.930 1.00 0.60 O ATOM 861 CB VAL A 57 -5.619 -4.405 -6.880 1.00 0.56 C ATOM 862 CG1 VAL A 57 -5.545 -3.739 -8.259 1.00 0.60 C ATOM 863 CG2 VAL A 57 -4.306 -4.119 -6.137 1.00 0.66 C ATOM 0 H VAL A 57 -6.331 -5.388 -4.705 1.00 0.58 H new ATOM 0 HA VAL A 57 -6.832 -2.850 -6.000 1.00 0.56 H new ATOM 0 HB VAL A 57 -5.732 -5.484 -6.987 1.00 0.56 H new ATOM 0 HG11 VAL A 57 -4.658 -4.090 -8.786 1.00 0.60 H new ATOM 0 HG12 VAL A 57 -6.434 -3.996 -8.835 1.00 0.60 H new ATOM 0 HG13 VAL A 57 -5.491 -2.657 -8.138 1.00 0.60 H new ATOM 0 HG21 VAL A 57 -3.465 -4.470 -6.735 1.00 0.66 H new ATOM 0 HG22 VAL A 57 -4.209 -3.046 -5.969 1.00 0.66 H new ATOM 0 HG23 VAL A 57 -4.310 -4.637 -5.178 1.00 0.66 H new ATOM 873 N ILE A 58 -8.898 -3.451 -7.403 1.00 0.56 N ATOM 874 CA ILE A 58 -10.174 -3.766 -8.092 1.00 0.62 C ATOM 875 C ILE A 58 -10.399 -2.919 -9.362 1.00 0.64 C ATOM 876 O ILE A 58 -11.523 -2.639 -9.787 1.00 0.74 O ATOM 877 CB ILE A 58 -11.352 -3.664 -7.089 1.00 0.72 C ATOM 878 CG1 ILE A 58 -11.223 -2.397 -6.216 1.00 0.77 C ATOM 879 CG2 ILE A 58 -11.413 -4.919 -6.201 1.00 0.78 C ATOM 880 CD1 ILE A 58 -12.519 -2.008 -5.497 1.00 0.94 C ATOM 0 H ILE A 58 -8.673 -2.456 -7.394 1.00 0.56 H new ATOM 0 HA ILE A 58 -10.117 -4.794 -8.450 1.00 0.62 H new ATOM 0 HB ILE A 58 -12.278 -3.594 -7.660 1.00 0.72 H new ATOM 0 HG12 ILE A 58 -10.440 -2.556 -5.474 1.00 0.77 H new ATOM 0 HG13 ILE A 58 -10.903 -1.565 -6.844 1.00 0.77 H new ATOM 0 HG21 ILE A 58 -12.245 -4.831 -5.503 1.00 0.78 H new ATOM 0 HG22 ILE A 58 -11.556 -5.800 -6.826 1.00 0.78 H new ATOM 0 HG23 ILE A 58 -10.481 -5.016 -5.644 1.00 0.78 H new ATOM 0 HD11 ILE A 58 -12.350 -1.109 -4.904 1.00 0.94 H new ATOM 0 HD12 ILE A 58 -13.300 -1.816 -6.233 1.00 0.94 H new ATOM 0 HD13 ILE A 58 -12.830 -2.822 -4.842 1.00 0.94 H new ATOM 892 N GLU A 59 -9.292 -2.587 -10.021 1.00 0.59 N ATOM 893 CA GLU A 59 -9.186 -2.028 -11.365 1.00 0.64 C ATOM 894 C GLU A 59 -7.702 -2.109 -11.762 1.00 0.65 C ATOM 895 O GLU A 59 -6.846 -1.627 -11.014 1.00 0.67 O ATOM 896 CB GLU A 59 -9.667 -0.567 -11.382 1.00 0.70 C ATOM 897 CG GLU A 59 -10.186 -0.069 -12.734 1.00 0.98 C ATOM 898 CD GLU A 59 -11.443 -0.803 -13.221 1.00 1.63 C ATOM 899 OE1 GLU A 59 -12.583 -0.394 -12.884 1.00 2.98 O ATOM 900 OE2 GLU A 59 -11.298 -1.788 -13.985 1.00 2.34 O ATOM 0 H GLU A 59 -8.374 -2.712 -9.595 1.00 0.59 H new ATOM 0 HA GLU A 59 -9.810 -2.582 -12.067 1.00 0.64 H new ATOM 0 HB2 GLU A 59 -10.459 -0.453 -10.642 1.00 0.70 H new ATOM 0 HB3 GLU A 59 -8.843 0.074 -11.068 1.00 0.70 H new ATOM 0 HG2 GLU A 59 -10.404 0.996 -12.659 1.00 0.98 H new ATOM 0 HG3 GLU A 59 -9.399 -0.182 -13.479 1.00 0.98 H new ATOM 907 N GLY A 60 -7.393 -2.706 -12.911 1.00 0.69 N ATOM 908 CA GLY A 60 -6.045 -2.749 -13.471 1.00 0.76 C ATOM 909 C GLY A 60 -5.151 -3.912 -13.040 1.00 0.87 C ATOM 910 O GLY A 60 -5.520 -4.782 -12.251 1.00 1.06 O ATOM 0 H GLY A 60 -8.085 -3.182 -13.489 1.00 0.69 H new ATOM 0 HA2 GLY A 60 -6.130 -2.772 -14.557 1.00 0.76 H new ATOM 0 HA3 GLY A 60 -5.540 -1.819 -13.210 1.00 0.76 H new ATOM 914 N HIS A 61 -3.947 -3.913 -13.615 1.00 0.82 N ATOM 915 CA HIS A 61 -2.949 -4.978 -13.469 1.00 0.93 C ATOM 916 C HIS A 61 -1.511 -4.442 -13.527 1.00 0.82 C ATOM 917 O HIS A 61 -1.138 -3.659 -14.405 1.00 1.03 O ATOM 918 CB HIS A 61 -3.190 -6.101 -14.497 1.00 1.24 C ATOM 919 CG HIS A 61 -3.230 -5.668 -15.944 1.00 1.35 C ATOM 920 ND1 HIS A 61 -4.364 -5.541 -16.713 1.00 2.09 N ATOM 921 CD2 HIS A 61 -2.162 -5.409 -16.762 1.00 1.83 C ATOM 922 CE1 HIS A 61 -3.998 -5.205 -17.959 1.00 2.15 C ATOM 923 NE2 HIS A 61 -2.657 -5.110 -18.042 1.00 1.96 N ATOM 0 H HIS A 61 -3.629 -3.151 -14.213 1.00 0.82 H new ATOM 0 HA HIS A 61 -3.072 -5.407 -12.474 1.00 0.93 H new ATOM 0 HB2 HIS A 61 -2.405 -6.848 -14.382 1.00 1.24 H new ATOM 0 HB3 HIS A 61 -4.134 -6.591 -14.257 1.00 1.24 H new ATOM 0 HD2 HIS A 61 -1.122 -5.431 -16.473 1.00 1.83 H new ATOM 0 HE1 HIS A 61 -4.681 -5.035 -18.778 1.00 2.15 H new ATOM 0 HE2 HIS A 61 -2.110 -4.869 -18.869 1.00 1.96 H new ATOM 931 N SER A 62 -0.711 -4.810 -12.526 1.00 0.79 N ATOM 932 CA SER A 62 0.714 -4.463 -12.433 1.00 0.76 C ATOM 933 C SER A 62 1.547 -5.532 -11.730 1.00 0.78 C ATOM 934 O SER A 62 1.001 -6.426 -11.085 1.00 0.87 O ATOM 935 CB SER A 62 0.862 -3.086 -11.781 1.00 0.71 C ATOM 936 OG SER A 62 0.714 -2.113 -12.797 1.00 1.21 O ATOM 0 H SER A 62 -1.039 -5.370 -11.739 1.00 0.79 H new ATOM 0 HA SER A 62 1.116 -4.418 -13.445 1.00 0.76 H new ATOM 0 HB2 SER A 62 0.109 -2.947 -11.005 1.00 0.71 H new ATOM 0 HB3 SER A 62 1.836 -2.993 -11.300 1.00 0.71 H new ATOM 0 HG SER A 62 0.098 -2.446 -13.482 1.00 1.21 H new ATOM 942 N MET A 63 2.873 -5.424 -11.821 1.00 0.79 N ATOM 943 CA MET A 63 3.829 -6.315 -11.169 1.00 0.82 C ATOM 944 C MET A 63 4.580 -5.558 -10.061 1.00 0.84 C ATOM 945 O MET A 63 5.412 -4.688 -10.314 1.00 1.32 O ATOM 946 CB MET A 63 4.725 -6.945 -12.240 1.00 0.92 C ATOM 947 CG MET A 63 5.742 -7.889 -11.604 1.00 0.95 C ATOM 948 SD MET A 63 6.503 -9.090 -12.729 1.00 1.10 S ATOM 949 CE MET A 63 5.173 -10.321 -12.821 1.00 1.11 C ATOM 0 H MET A 63 3.324 -4.691 -12.368 1.00 0.79 H new ATOM 0 HA MET A 63 3.329 -7.140 -10.662 1.00 0.82 H new ATOM 0 HB2 MET A 63 4.113 -7.491 -12.958 1.00 0.92 H new ATOM 0 HB3 MET A 63 5.244 -6.163 -12.794 1.00 0.92 H new ATOM 0 HG2 MET A 63 6.532 -7.291 -11.150 1.00 0.95 H new ATOM 0 HG3 MET A 63 5.251 -8.433 -10.797 1.00 0.95 H new ATOM 0 HE1 MET A 63 5.477 -11.136 -13.478 1.00 1.11 H new ATOM 0 HE2 MET A 63 4.971 -10.714 -11.824 1.00 1.11 H new ATOM 0 HE3 MET A 63 4.271 -9.853 -13.216 1.00 1.11 H new ATOM 959 N VAL A 64 4.259 -5.895 -8.814 1.00 0.57 N ATOM 960 CA VAL A 64 4.658 -5.189 -7.588 1.00 0.49 C ATOM 961 C VAL A 64 6.010 -5.669 -7.047 1.00 0.51 C ATOM 962 O VAL A 64 6.479 -6.762 -7.374 1.00 0.81 O ATOM 963 CB VAL A 64 3.500 -5.285 -6.563 1.00 0.58 C ATOM 964 CG1 VAL A 64 3.807 -4.851 -5.124 1.00 0.68 C ATOM 965 CG2 VAL A 64 2.340 -4.410 -7.061 1.00 0.62 C ATOM 0 H VAL A 64 3.682 -6.712 -8.616 1.00 0.57 H new ATOM 0 HA VAL A 64 4.827 -4.135 -7.810 1.00 0.49 H new ATOM 0 HB VAL A 64 3.276 -6.350 -6.507 1.00 0.58 H new ATOM 0 HG11 VAL A 64 2.914 -4.967 -4.510 1.00 0.68 H new ATOM 0 HG12 VAL A 64 4.608 -5.470 -4.720 1.00 0.68 H new ATOM 0 HG13 VAL A 64 4.118 -3.806 -5.118 1.00 0.68 H new ATOM 0 HG21 VAL A 64 1.513 -4.464 -6.352 1.00 0.62 H new ATOM 0 HG22 VAL A 64 2.676 -3.377 -7.149 1.00 0.62 H new ATOM 0 HG23 VAL A 64 2.007 -4.768 -8.035 1.00 0.62 H new ATOM 975 N ASP A 65 6.653 -4.823 -6.241 1.00 0.50 N ATOM 976 CA ASP A 65 7.910 -5.082 -5.534 1.00 0.56 C ATOM 977 C ASP A 65 7.665 -5.116 -4.008 1.00 0.58 C ATOM 978 O ASP A 65 7.683 -4.085 -3.331 1.00 0.70 O ATOM 979 CB ASP A 65 8.919 -4.006 -5.970 1.00 0.67 C ATOM 980 CG ASP A 65 10.337 -4.256 -5.456 1.00 0.81 C ATOM 981 OD1 ASP A 65 11.074 -5.038 -6.104 1.00 1.57 O ATOM 982 OD2 ASP A 65 10.761 -3.636 -4.456 1.00 1.92 O ATOM 0 H ASP A 65 6.292 -3.888 -6.053 1.00 0.50 H new ATOM 0 HA ASP A 65 8.322 -6.059 -5.787 1.00 0.56 H new ATOM 0 HB2 ASP A 65 8.939 -3.958 -7.059 1.00 0.67 H new ATOM 0 HB3 ASP A 65 8.578 -3.034 -5.614 1.00 0.67 H new ATOM 987 N GLU A 66 7.406 -6.310 -3.463 1.00 0.59 N ATOM 988 CA GLU A 66 7.172 -6.577 -2.025 1.00 0.63 C ATOM 989 C GLU A 66 8.317 -7.382 -1.369 1.00 0.55 C ATOM 990 O GLU A 66 8.179 -7.930 -0.269 1.00 0.62 O ATOM 991 CB GLU A 66 5.768 -7.175 -1.785 1.00 0.90 C ATOM 992 CG GLU A 66 5.474 -8.481 -2.533 1.00 1.05 C ATOM 993 CD GLU A 66 4.153 -9.120 -2.064 1.00 1.06 C ATOM 994 OE1 GLU A 66 3.077 -8.778 -2.612 1.00 1.36 O ATOM 995 OE2 GLU A 66 4.178 -9.964 -1.130 1.00 2.11 O ATOM 0 H GLU A 66 7.350 -7.157 -4.029 1.00 0.59 H new ATOM 0 HA GLU A 66 7.185 -5.617 -1.509 1.00 0.63 H new ATOM 0 HB2 GLU A 66 5.645 -7.352 -0.717 1.00 0.90 H new ATOM 0 HB3 GLU A 66 5.022 -6.435 -2.074 1.00 0.90 H new ATOM 0 HG2 GLU A 66 5.423 -8.284 -3.604 1.00 1.05 H new ATOM 0 HG3 GLU A 66 6.293 -9.183 -2.377 1.00 1.05 H new ATOM 1002 N SER A 67 9.477 -7.436 -2.032 1.00 0.60 N ATOM 1003 CA SER A 67 10.665 -8.201 -1.640 1.00 0.73 C ATOM 1004 C SER A 67 11.202 -7.878 -0.244 1.00 0.73 C ATOM 1005 O SER A 67 11.741 -8.770 0.408 1.00 0.83 O ATOM 1006 CB SER A 67 11.775 -7.983 -2.675 1.00 0.98 C ATOM 1007 OG SER A 67 12.130 -6.613 -2.765 1.00 1.37 O ATOM 0 H SER A 67 9.620 -6.921 -2.901 1.00 0.60 H new ATOM 0 HA SER A 67 10.350 -9.244 -1.604 1.00 0.73 H new ATOM 0 HB2 SER A 67 12.651 -8.571 -2.402 1.00 0.98 H new ATOM 0 HB3 SER A 67 11.442 -8.340 -3.650 1.00 0.98 H new ATOM 0 HG SER A 67 12.841 -6.502 -3.431 1.00 1.37 H new ATOM 1013 N LEU A 68 11.036 -6.660 0.275 1.00 0.80 N ATOM 1014 CA LEU A 68 11.486 -6.309 1.629 1.00 0.96 C ATOM 1015 C LEU A 68 10.480 -6.758 2.701 1.00 1.01 C ATOM 1016 O LEU A 68 10.891 -7.167 3.789 1.00 1.23 O ATOM 1017 CB LEU A 68 11.770 -4.789 1.640 1.00 1.02 C ATOM 1018 CG LEU A 68 12.408 -4.136 2.887 1.00 1.14 C ATOM 1019 CD1 LEU A 68 11.446 -3.912 4.055 1.00 1.25 C ATOM 1020 CD2 LEU A 68 13.628 -4.894 3.404 1.00 1.06 C ATOM 0 H LEU A 68 10.589 -5.892 -0.225 1.00 0.80 H new ATOM 0 HA LEU A 68 12.402 -6.842 1.885 1.00 0.96 H new ATOM 0 HB2 LEU A 68 12.420 -4.573 0.792 1.00 1.02 H new ATOM 0 HB3 LEU A 68 10.824 -4.280 1.454 1.00 1.02 H new ATOM 0 HG LEU A 68 12.715 -3.159 2.513 1.00 1.14 H new ATOM 0 HD11 LEU A 68 11.982 -3.450 4.884 1.00 1.25 H new ATOM 0 HD12 LEU A 68 10.635 -3.257 3.738 1.00 1.25 H new ATOM 0 HD13 LEU A 68 11.035 -4.869 4.377 1.00 1.25 H new ATOM 0 HD21 LEU A 68 14.029 -4.384 4.280 1.00 1.06 H new ATOM 0 HD22 LEU A 68 13.338 -5.909 3.676 1.00 1.06 H new ATOM 0 HD23 LEU A 68 14.390 -4.931 2.626 1.00 1.06 H new ATOM 1032 N ILE A 69 9.182 -6.760 2.374 1.00 0.93 N ATOM 1033 CA ILE A 69 8.098 -7.130 3.300 1.00 1.05 C ATOM 1034 C ILE A 69 8.000 -8.654 3.457 1.00 1.19 C ATOM 1035 O ILE A 69 7.880 -9.167 4.576 1.00 1.23 O ATOM 1036 CB ILE A 69 6.720 -6.591 2.835 1.00 1.02 C ATOM 1037 CG1 ILE A 69 6.715 -5.188 2.176 1.00 0.93 C ATOM 1038 CG2 ILE A 69 5.764 -6.666 4.046 1.00 1.27 C ATOM 1039 CD1 ILE A 69 6.948 -4.005 3.118 1.00 0.91 C ATOM 0 H ILE A 69 8.848 -6.501 1.446 1.00 0.93 H new ATOM 0 HA ILE A 69 8.349 -6.673 4.257 1.00 1.05 H new ATOM 0 HB ILE A 69 6.388 -7.226 2.014 1.00 1.02 H new ATOM 0 HG12 ILE A 69 7.483 -5.168 1.403 1.00 0.93 H new ATOM 0 HG13 ILE A 69 5.757 -5.046 1.676 1.00 0.93 H new ATOM 0 HG21 ILE A 69 4.781 -6.294 3.757 1.00 1.27 H new ATOM 0 HG22 ILE A 69 5.677 -7.701 4.378 1.00 1.27 H new ATOM 0 HG23 ILE A 69 6.158 -6.056 4.859 1.00 1.27 H new ATOM 0 HD11 ILE A 69 6.924 -3.076 2.548 1.00 0.91 H new ATOM 0 HD12 ILE A 69 6.167 -3.985 3.878 1.00 0.91 H new ATOM 0 HD13 ILE A 69 7.920 -4.110 3.600 1.00 0.91 H new ATOM 1051 N THR A 70 8.048 -9.355 2.320 1.00 1.28 N ATOM 1052 CA THR A 70 7.757 -10.794 2.193 1.00 1.33 C ATOM 1053 C THR A 70 9.017 -11.634 1.914 1.00 1.38 C ATOM 1054 O THR A 70 8.975 -12.857 2.007 1.00 1.46 O ATOM 1055 CB THR A 70 6.677 -11.011 1.104 1.00 1.26 C ATOM 1056 OG1 THR A 70 5.669 -10.019 1.149 1.00 1.73 O ATOM 1057 CG2 THR A 70 5.931 -12.334 1.266 1.00 2.65 C ATOM 0 H THR A 70 8.299 -8.925 1.430 1.00 1.28 H new ATOM 0 HA THR A 70 7.374 -11.144 3.152 1.00 1.33 H new ATOM 0 HB THR A 70 7.237 -10.983 0.169 1.00 1.26 H new ATOM 0 HG1 THR A 70 5.149 -10.043 0.319 1.00 1.73 H new ATOM 0 HG21 THR A 70 5.187 -12.431 0.475 1.00 2.65 H new ATOM 0 HG22 THR A 70 6.638 -13.161 1.202 1.00 2.65 H new ATOM 0 HG23 THR A 70 5.434 -12.355 2.236 1.00 2.65 H new ATOM 1065 N GLY A 71 10.153 -11.016 1.565 1.00 1.35 N ATOM 1066 CA GLY A 71 11.463 -11.677 1.387 1.00 1.40 C ATOM 1067 C GLY A 71 11.635 -12.502 0.093 1.00 1.40 C ATOM 1068 O GLY A 71 12.624 -13.218 -0.066 1.00 1.53 O ATOM 0 H GLY A 71 10.192 -10.012 1.392 1.00 1.35 H new ATOM 0 HA2 GLY A 71 12.240 -10.913 1.413 1.00 1.40 H new ATOM 0 HA3 GLY A 71 11.634 -12.335 2.239 1.00 1.40 H new ATOM 1072 N GLU A 72 10.651 -12.444 -0.812 1.00 1.31 N ATOM 1073 CA GLU A 72 10.543 -13.322 -1.992 1.00 1.35 C ATOM 1074 C GLU A 72 11.708 -13.174 -2.993 1.00 1.57 C ATOM 1075 O GLU A 72 12.131 -14.168 -3.576 1.00 2.94 O ATOM 1076 CB GLU A 72 9.204 -13.064 -2.713 1.00 1.38 C ATOM 1077 CG GLU A 72 7.944 -13.279 -1.858 1.00 1.31 C ATOM 1078 CD GLU A 72 7.617 -14.756 -1.607 1.00 1.63 C ATOM 1079 OE1 GLU A 72 8.371 -15.440 -0.873 1.00 2.84 O ATOM 1080 OE2 GLU A 72 6.562 -15.236 -2.090 1.00 1.70 O ATOM 0 H GLU A 72 9.888 -11.771 -0.746 1.00 1.31 H new ATOM 0 HA GLU A 72 10.590 -14.344 -1.616 1.00 1.35 H new ATOM 0 HB2 GLU A 72 9.201 -12.039 -3.083 1.00 1.38 H new ATOM 0 HB3 GLU A 72 9.148 -13.717 -3.584 1.00 1.38 H new ATOM 0 HG2 GLU A 72 8.075 -12.777 -0.900 1.00 1.31 H new ATOM 0 HG3 GLU A 72 7.095 -12.806 -2.352 1.00 1.31 H new ATOM 1087 N ALA A 73 12.207 -11.951 -3.218 1.00 1.15 N ATOM 1088 CA ALA A 73 13.299 -11.569 -4.142 1.00 1.13 C ATOM 1089 C ALA A 73 12.903 -11.621 -5.633 1.00 0.92 C ATOM 1090 O ALA A 73 13.523 -10.981 -6.488 1.00 1.06 O ATOM 1091 CB ALA A 73 14.601 -12.318 -3.821 1.00 1.45 C ATOM 0 H ALA A 73 11.835 -11.139 -2.726 1.00 1.15 H new ATOM 0 HA ALA A 73 13.498 -10.512 -3.962 1.00 1.13 H new ATOM 0 HB1 ALA A 73 15.379 -12.011 -4.520 1.00 1.45 H new ATOM 0 HB2 ALA A 73 14.914 -12.083 -2.804 1.00 1.45 H new ATOM 0 HB3 ALA A 73 14.435 -13.391 -3.911 1.00 1.45 H new ATOM 1097 N MET A 74 11.815 -12.325 -5.930 1.00 1.17 N ATOM 1098 CA MET A 74 11.098 -12.304 -7.197 1.00 1.13 C ATOM 1099 C MET A 74 9.965 -11.254 -7.165 1.00 0.95 C ATOM 1100 O MET A 74 9.392 -11.012 -6.095 1.00 1.10 O ATOM 1101 CB MET A 74 10.537 -13.697 -7.500 1.00 1.35 C ATOM 1102 CG MET A 74 9.687 -14.305 -6.379 1.00 2.73 C ATOM 1103 SD MET A 74 8.813 -15.807 -6.878 1.00 3.57 S ATOM 1104 CE MET A 74 8.071 -16.253 -5.289 1.00 5.67 C ATOM 0 H MET A 74 11.388 -12.960 -5.255 1.00 1.17 H new ATOM 0 HA MET A 74 11.792 -12.025 -7.990 1.00 1.13 H new ATOM 0 HB2 MET A 74 9.933 -13.641 -8.405 1.00 1.35 H new ATOM 0 HB3 MET A 74 11.368 -14.370 -7.712 1.00 1.35 H new ATOM 0 HG2 MET A 74 10.329 -14.532 -5.528 1.00 2.73 H new ATOM 0 HG3 MET A 74 8.961 -13.566 -6.041 1.00 2.73 H new ATOM 0 HE1 MET A 74 7.487 -17.166 -5.404 1.00 5.67 H new ATOM 0 HE2 MET A 74 8.858 -16.416 -4.553 1.00 5.67 H new ATOM 0 HE3 MET A 74 7.420 -15.446 -4.952 1.00 5.67 H new ATOM 1114 N PRO A 75 9.602 -10.649 -8.309 1.00 1.04 N ATOM 1115 CA PRO A 75 8.470 -9.731 -8.408 1.00 0.98 C ATOM 1116 C PRO A 75 7.118 -10.473 -8.446 1.00 0.90 C ATOM 1117 O PRO A 75 7.039 -11.633 -8.875 1.00 1.03 O ATOM 1118 CB PRO A 75 8.753 -8.926 -9.672 1.00 1.26 C ATOM 1119 CG PRO A 75 9.448 -9.937 -10.583 1.00 2.02 C ATOM 1120 CD PRO A 75 10.283 -10.749 -9.596 1.00 1.55 C ATOM 0 HA PRO A 75 8.377 -9.085 -7.535 1.00 0.98 H new ATOM 0 HB2 PRO A 75 7.835 -8.545 -10.120 1.00 1.26 H new ATOM 0 HB3 PRO A 75 9.389 -8.065 -9.467 1.00 1.26 H new ATOM 0 HG2 PRO A 75 8.732 -10.561 -11.118 1.00 2.02 H new ATOM 0 HG3 PRO A 75 10.069 -9.448 -11.334 1.00 2.02 H new ATOM 0 HD2 PRO A 75 10.362 -11.788 -9.915 1.00 1.55 H new ATOM 0 HD3 PRO A 75 11.298 -10.358 -9.531 1.00 1.55 H new ATOM 1128 N VAL A 76 6.049 -9.802 -7.998 1.00 0.81 N ATOM 1129 CA VAL A 76 4.722 -10.408 -7.744 1.00 0.86 C ATOM 1130 C VAL A 76 3.624 -9.752 -8.589 1.00 0.84 C ATOM 1131 O VAL A 76 3.426 -8.541 -8.524 1.00 0.80 O ATOM 1132 CB VAL A 76 4.372 -10.330 -6.240 1.00 0.93 C ATOM 1133 CG1 VAL A 76 3.040 -11.022 -5.926 1.00 1.10 C ATOM 1134 CG2 VAL A 76 5.449 -10.990 -5.367 1.00 0.96 C ATOM 0 H VAL A 76 6.076 -8.803 -7.796 1.00 0.81 H new ATOM 0 HA VAL A 76 4.777 -11.456 -8.039 1.00 0.86 H new ATOM 0 HB VAL A 76 4.304 -9.266 -6.012 1.00 0.93 H new ATOM 0 HG11 VAL A 76 2.832 -10.944 -4.859 1.00 1.10 H new ATOM 0 HG12 VAL A 76 2.239 -10.541 -6.488 1.00 1.10 H new ATOM 0 HG13 VAL A 76 3.101 -12.073 -6.208 1.00 1.10 H new ATOM 0 HG21 VAL A 76 5.164 -10.913 -4.318 1.00 0.96 H new ATOM 0 HG22 VAL A 76 5.546 -12.041 -5.641 1.00 0.96 H new ATOM 0 HG23 VAL A 76 6.403 -10.485 -5.522 1.00 0.96 H new ATOM 1144 N ALA A 77 2.877 -10.539 -9.366 1.00 0.90 N ATOM 1145 CA ALA A 77 1.809 -10.043 -10.238 1.00 0.91 C ATOM 1146 C ALA A 77 0.499 -9.757 -9.476 1.00 0.88 C ATOM 1147 O ALA A 77 0.079 -10.544 -8.622 1.00 0.96 O ATOM 1148 CB ALA A 77 1.594 -11.054 -11.371 1.00 1.05 C ATOM 0 H ALA A 77 2.998 -11.551 -9.408 1.00 0.90 H new ATOM 0 HA ALA A 77 2.117 -9.083 -10.652 1.00 0.91 H new ATOM 0 HB1 ALA A 77 0.801 -10.699 -12.030 1.00 1.05 H new ATOM 0 HB2 ALA A 77 2.517 -11.164 -11.940 1.00 1.05 H new ATOM 0 HB3 ALA A 77 1.311 -12.018 -10.949 1.00 1.05 H new ATOM 1154 N LYS A 78 -0.160 -8.644 -9.824 1.00 0.80 N ATOM 1155 CA LYS A 78 -1.438 -8.161 -9.273 1.00 0.78 C ATOM 1156 C LYS A 78 -2.436 -7.885 -10.400 1.00 0.80 C ATOM 1157 O LYS A 78 -2.054 -7.426 -11.480 1.00 0.87 O ATOM 1158 CB LYS A 78 -1.235 -6.878 -8.447 1.00 0.75 C ATOM 1159 CG LYS A 78 -0.114 -6.934 -7.404 1.00 0.73 C ATOM 1160 CD LYS A 78 -0.377 -7.867 -6.211 1.00 0.77 C ATOM 1161 CE LYS A 78 0.862 -7.888 -5.302 1.00 0.77 C ATOM 1162 NZ LYS A 78 0.662 -8.741 -4.110 1.00 0.88 N ATOM 0 H LYS A 78 0.205 -8.017 -10.541 1.00 0.80 H new ATOM 0 HA LYS A 78 -1.833 -8.940 -8.621 1.00 0.78 H new ATOM 0 HB2 LYS A 78 -1.029 -6.055 -9.132 1.00 0.75 H new ATOM 0 HB3 LYS A 78 -2.170 -6.643 -7.938 1.00 0.75 H new ATOM 0 HG2 LYS A 78 0.804 -7.252 -7.898 1.00 0.73 H new ATOM 0 HG3 LYS A 78 0.059 -5.927 -7.026 1.00 0.73 H new ATOM 0 HD2 LYS A 78 -1.247 -7.525 -5.651 1.00 0.77 H new ATOM 0 HD3 LYS A 78 -0.601 -8.874 -6.564 1.00 0.77 H new ATOM 0 HE2 LYS A 78 1.720 -8.251 -5.868 1.00 0.77 H new ATOM 0 HE3 LYS A 78 1.096 -6.872 -4.985 1.00 0.77 H new ATOM 0 HZ1 LYS A 78 1.488 -8.660 -3.483 1.00 0.88 H new ATOM 0 HZ2 LYS A 78 -0.191 -8.432 -3.601 1.00 0.88 H new ATOM 0 HZ3 LYS A 78 0.549 -9.731 -4.407 1.00 0.88 H new ATOM 1176 N LYS A 79 -3.712 -8.136 -10.117 1.00 0.79 N ATOM 1177 CA LYS A 79 -4.869 -8.172 -11.033 1.00 0.86 C ATOM 1178 C LYS A 79 -6.117 -7.613 -10.314 1.00 0.74 C ATOM 1179 O LYS A 79 -6.046 -7.412 -9.097 1.00 0.67 O ATOM 1180 CB LYS A 79 -5.076 -9.656 -11.422 1.00 1.15 C ATOM 1181 CG LYS A 79 -4.104 -10.150 -12.509 1.00 2.11 C ATOM 1182 CD LYS A 79 -4.149 -11.675 -12.698 1.00 2.39 C ATOM 1183 CE LYS A 79 -5.519 -12.176 -13.170 1.00 1.92 C ATOM 1184 NZ LYS A 79 -5.602 -13.654 -13.171 1.00 2.44 N ATOM 0 H LYS A 79 -3.997 -8.338 -9.159 1.00 0.79 H new ATOM 0 HA LYS A 79 -4.701 -7.563 -11.921 1.00 0.86 H new ATOM 0 HB2 LYS A 79 -4.959 -10.276 -10.533 1.00 1.15 H new ATOM 0 HB3 LYS A 79 -6.099 -9.792 -11.773 1.00 1.15 H new ATOM 0 HG2 LYS A 79 -4.345 -9.664 -13.454 1.00 2.11 H new ATOM 0 HG3 LYS A 79 -3.089 -9.851 -12.246 1.00 2.11 H new ATOM 0 HD2 LYS A 79 -3.390 -11.969 -13.423 1.00 2.39 H new ATOM 0 HD3 LYS A 79 -3.895 -12.161 -11.756 1.00 2.39 H new ATOM 0 HE2 LYS A 79 -6.296 -11.770 -12.522 1.00 1.92 H new ATOM 0 HE3 LYS A 79 -5.715 -11.802 -14.175 1.00 1.92 H new ATOM 0 HZ1 LYS A 79 -6.545 -13.949 -13.497 1.00 2.44 H new ATOM 0 HZ2 LYS A 79 -4.878 -14.042 -13.809 1.00 2.44 H new ATOM 0 HZ3 LYS A 79 -5.441 -14.011 -12.208 1.00 2.44 H new ATOM 1198 N PRO A 80 -7.266 -7.396 -10.981 1.00 0.75 N ATOM 1199 CA PRO A 80 -8.519 -7.115 -10.281 1.00 0.69 C ATOM 1200 C PRO A 80 -8.873 -8.255 -9.306 1.00 0.73 C ATOM 1201 O PRO A 80 -8.716 -9.443 -9.615 1.00 0.99 O ATOM 1202 CB PRO A 80 -9.577 -6.924 -11.375 1.00 0.80 C ATOM 1203 CG PRO A 80 -9.002 -7.678 -12.574 1.00 0.99 C ATOM 1204 CD PRO A 80 -7.500 -7.455 -12.418 1.00 0.90 C ATOM 0 HA PRO A 80 -8.450 -6.221 -9.662 1.00 0.69 H new ATOM 0 HB2 PRO A 80 -10.543 -7.330 -11.073 1.00 0.80 H new ATOM 0 HB3 PRO A 80 -9.731 -5.869 -11.602 1.00 0.80 H new ATOM 0 HG2 PRO A 80 -9.259 -8.737 -12.548 1.00 0.99 H new ATOM 0 HG3 PRO A 80 -9.375 -7.282 -13.519 1.00 0.99 H new ATOM 0 HD2 PRO A 80 -6.933 -8.265 -12.876 1.00 0.90 H new ATOM 0 HD3 PRO A 80 -7.187 -6.532 -12.906 1.00 0.90 H new ATOM 1212 N GLY A 81 -9.321 -7.892 -8.103 1.00 0.68 N ATOM 1213 CA GLY A 81 -9.556 -8.807 -6.984 1.00 0.81 C ATOM 1214 C GLY A 81 -8.282 -9.281 -6.268 1.00 0.86 C ATOM 1215 O GLY A 81 -8.334 -10.296 -5.572 1.00 1.28 O ATOM 0 H GLY A 81 -9.537 -6.922 -7.873 1.00 0.68 H new ATOM 0 HA2 GLY A 81 -10.203 -8.314 -6.258 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.096 -9.679 -7.352 1.00 0.81 H new ATOM 1219 N SER A 82 -7.134 -8.608 -6.427 1.00 0.58 N ATOM 1220 CA SER A 82 -5.836 -9.037 -5.844 1.00 0.52 C ATOM 1221 C SER A 82 -5.491 -8.227 -4.590 1.00 0.51 C ATOM 1222 O SER A 82 -6.044 -7.146 -4.406 1.00 0.60 O ATOM 1223 CB SER A 82 -4.707 -8.926 -6.876 1.00 0.51 C ATOM 1224 OG SER A 82 -3.566 -9.649 -6.468 1.00 1.60 O ATOM 0 H SER A 82 -7.070 -7.744 -6.966 1.00 0.58 H new ATOM 0 HA SER A 82 -5.939 -10.083 -5.554 1.00 0.52 H new ATOM 0 HB2 SER A 82 -5.053 -9.302 -7.839 1.00 0.51 H new ATOM 0 HB3 SER A 82 -4.444 -7.878 -7.019 1.00 0.51 H new ATOM 0 HG SER A 82 -3.173 -10.104 -7.242 1.00 1.60 H new ATOM 1230 N THR A 83 -4.590 -8.696 -3.723 1.00 0.53 N ATOM 1231 CA THR A 83 -4.245 -8.014 -2.456 1.00 0.55 C ATOM 1232 C THR A 83 -2.820 -7.457 -2.427 1.00 0.54 C ATOM 1233 O THR A 83 -1.898 -8.004 -3.038 1.00 0.57 O ATOM 1234 CB THR A 83 -4.542 -8.886 -1.223 1.00 0.63 C ATOM 1235 OG1 THR A 83 -4.051 -10.210 -1.345 1.00 0.72 O ATOM 1236 CG2 THR A 83 -6.051 -8.973 -0.995 1.00 0.79 C ATOM 0 H THR A 83 -4.073 -9.562 -3.873 1.00 0.53 H new ATOM 0 HA THR A 83 -4.905 -7.148 -2.409 1.00 0.55 H new ATOM 0 HB THR A 83 -4.035 -8.405 -0.387 1.00 0.63 H new ATOM 0 HG1 THR A 83 -4.267 -10.715 -0.533 1.00 0.72 H new ATOM 0 HG21 THR A 83 -6.252 -9.592 -0.121 1.00 0.79 H new ATOM 0 HG22 THR A 83 -6.453 -7.973 -0.832 1.00 0.79 H new ATOM 0 HG23 THR A 83 -6.526 -9.416 -1.870 1.00 0.79 H new ATOM 1244 N VAL A 84 -2.656 -6.325 -1.733 1.00 0.52 N ATOM 1245 CA VAL A 84 -1.410 -5.545 -1.621 1.00 0.51 C ATOM 1246 C VAL A 84 -1.179 -5.036 -0.195 1.00 0.51 C ATOM 1247 O VAL A 84 -2.119 -4.907 0.599 1.00 0.53 O ATOM 1248 CB VAL A 84 -1.380 -4.356 -2.612 1.00 0.51 C ATOM 1249 CG1 VAL A 84 -1.234 -4.834 -4.060 1.00 0.55 C ATOM 1250 CG2 VAL A 84 -2.612 -3.445 -2.512 1.00 0.52 C ATOM 0 H VAL A 84 -3.423 -5.905 -1.208 1.00 0.52 H new ATOM 0 HA VAL A 84 -0.602 -6.229 -1.878 1.00 0.51 H new ATOM 0 HB VAL A 84 -0.507 -3.771 -2.323 1.00 0.51 H new ATOM 0 HG11 VAL A 84 -1.217 -3.973 -4.728 1.00 0.55 H new ATOM 0 HG12 VAL A 84 -0.305 -5.394 -4.166 1.00 0.55 H new ATOM 0 HG13 VAL A 84 -2.076 -5.476 -4.318 1.00 0.55 H new ATOM 0 HG21 VAL A 84 -2.524 -2.634 -3.234 1.00 0.52 H new ATOM 0 HG22 VAL A 84 -3.511 -4.024 -2.724 1.00 0.52 H new ATOM 0 HG23 VAL A 84 -2.677 -3.030 -1.506 1.00 0.52 H new ATOM 1260 N ILE A 85 0.079 -4.705 0.112 1.00 0.54 N ATOM 1261 CA ILE A 85 0.524 -4.078 1.365 1.00 0.58 C ATOM 1262 C ILE A 85 1.137 -2.695 1.133 1.00 0.61 C ATOM 1263 O ILE A 85 1.745 -2.426 0.092 1.00 0.90 O ATOM 1264 CB ILE A 85 1.504 -4.960 2.173 1.00 0.70 C ATOM 1265 CG1 ILE A 85 2.933 -5.061 1.599 1.00 1.62 C ATOM 1266 CG2 ILE A 85 0.933 -6.355 2.453 1.00 0.97 C ATOM 1267 CD1 ILE A 85 3.080 -5.554 0.160 1.00 0.63 C ATOM 0 H ILE A 85 0.851 -4.873 -0.533 1.00 0.54 H new ATOM 0 HA ILE A 85 -0.381 -3.963 1.961 1.00 0.58 H new ATOM 0 HB ILE A 85 1.610 -4.424 3.116 1.00 0.70 H new ATOM 0 HG12 ILE A 85 3.393 -4.075 1.666 1.00 1.62 H new ATOM 0 HG13 ILE A 85 3.508 -5.726 2.243 1.00 1.62 H new ATOM 0 HG21 ILE A 85 1.657 -6.937 3.023 1.00 0.97 H new ATOM 0 HG22 ILE A 85 0.011 -6.262 3.026 1.00 0.97 H new ATOM 0 HG23 ILE A 85 0.724 -6.859 1.509 1.00 0.97 H new ATOM 0 HD11 ILE A 85 4.135 -5.575 -0.111 1.00 0.63 H new ATOM 0 HD12 ILE A 85 2.663 -6.558 0.075 1.00 0.63 H new ATOM 0 HD13 ILE A 85 2.546 -4.881 -0.511 1.00 0.63 H new ATOM 1279 N ALA A 86 1.036 -1.839 2.150 1.00 0.55 N ATOM 1280 CA ALA A 86 1.668 -0.529 2.145 1.00 0.57 C ATOM 1281 C ALA A 86 3.204 -0.615 2.053 1.00 0.55 C ATOM 1282 O ALA A 86 3.819 -1.562 2.538 1.00 0.58 O ATOM 1283 CB ALA A 86 1.227 0.240 3.396 1.00 0.66 C ATOM 0 H ALA A 86 0.511 -2.040 3.001 1.00 0.55 H new ATOM 0 HA ALA A 86 1.345 0.006 1.252 1.00 0.57 H new ATOM 0 HB1 ALA A 86 1.695 1.224 3.402 1.00 0.66 H new ATOM 0 HB2 ALA A 86 0.143 0.354 3.390 1.00 0.66 H new ATOM 0 HB3 ALA A 86 1.529 -0.311 4.287 1.00 0.66 H new ATOM 1289 N GLY A 87 3.822 0.397 1.444 1.00 0.55 N ATOM 1290 CA GLY A 87 5.277 0.525 1.311 1.00 0.60 C ATOM 1291 C GLY A 87 5.906 -0.255 0.149 1.00 0.62 C ATOM 1292 O GLY A 87 7.065 -0.005 -0.183 1.00 0.78 O ATOM 0 H GLY A 87 3.313 1.172 1.018 1.00 0.55 H new ATOM 0 HA2 GLY A 87 5.522 1.580 1.192 1.00 0.60 H new ATOM 0 HA3 GLY A 87 5.740 0.194 2.241 1.00 0.60 H new ATOM 1296 N SER A 88 5.151 -1.142 -0.507 1.00 0.53 N ATOM 1297 CA SER A 88 5.576 -1.799 -1.751 1.00 0.54 C ATOM 1298 C SER A 88 5.456 -0.847 -2.954 1.00 0.47 C ATOM 1299 O SER A 88 4.769 0.181 -2.878 1.00 0.48 O ATOM 1300 CB SER A 88 4.803 -3.111 -1.959 1.00 0.57 C ATOM 1301 OG SER A 88 3.413 -2.890 -2.121 1.00 1.35 O ATOM 0 H SER A 88 4.224 -1.427 -0.190 1.00 0.53 H new ATOM 0 HA SER A 88 6.632 -2.056 -1.665 1.00 0.54 H new ATOM 0 HB2 SER A 88 5.193 -3.626 -2.837 1.00 0.57 H new ATOM 0 HB3 SER A 88 4.968 -3.768 -1.105 1.00 0.57 H new ATOM 0 HG SER A 88 3.000 -2.749 -1.244 1.00 1.35 H new ATOM 1307 N ILE A 89 6.147 -1.164 -4.056 1.00 0.45 N ATOM 1308 CA ILE A 89 6.196 -0.322 -5.269 1.00 0.45 C ATOM 1309 C ILE A 89 5.365 -0.942 -6.400 1.00 0.49 C ATOM 1310 O ILE A 89 5.374 -2.160 -6.577 1.00 0.64 O ATOM 1311 CB ILE A 89 7.641 -0.040 -5.759 1.00 0.58 C ATOM 1312 CG1 ILE A 89 8.769 -0.189 -4.712 1.00 0.67 C ATOM 1313 CG2 ILE A 89 7.694 1.361 -6.400 1.00 0.66 C ATOM 1314 CD1 ILE A 89 8.740 0.804 -3.550 1.00 0.70 C ATOM 0 H ILE A 89 6.695 -2.020 -4.137 1.00 0.45 H new ATOM 0 HA ILE A 89 5.764 0.638 -4.988 1.00 0.45 H new ATOM 0 HB ILE A 89 7.850 -0.829 -6.481 1.00 0.58 H new ATOM 0 HG12 ILE A 89 8.727 -1.198 -4.303 1.00 0.67 H new ATOM 0 HG13 ILE A 89 9.727 -0.092 -5.223 1.00 0.67 H new ATOM 0 HG21 ILE A 89 8.707 1.565 -6.746 1.00 0.66 H new ATOM 0 HG22 ILE A 89 7.007 1.401 -7.245 1.00 0.66 H new ATOM 0 HG23 ILE A 89 7.405 2.110 -5.662 1.00 0.66 H new ATOM 0 HD11 ILE A 89 9.577 0.605 -2.880 1.00 0.70 H new ATOM 0 HD12 ILE A 89 8.819 1.820 -3.937 1.00 0.70 H new ATOM 0 HD13 ILE A 89 7.803 0.696 -3.003 1.00 0.70 H new ATOM 1326 N ASN A 90 4.676 -0.111 -7.182 1.00 0.48 N ATOM 1327 CA ASN A 90 3.861 -0.500 -8.333 1.00 0.57 C ATOM 1328 C ASN A 90 4.593 -0.288 -9.675 1.00 0.72 C ATOM 1329 O ASN A 90 5.282 0.715 -9.843 1.00 0.79 O ATOM 1330 CB ASN A 90 2.560 0.314 -8.289 1.00 0.61 C ATOM 1331 CG ASN A 90 1.611 -0.162 -9.352 1.00 0.84 C ATOM 1332 OD1 ASN A 90 1.255 -1.325 -9.391 1.00 1.70 O ATOM 1333 ND2 ASN A 90 1.240 0.699 -10.257 1.00 0.43 N ATOM 0 H ASN A 90 4.670 0.897 -7.023 1.00 0.48 H new ATOM 0 HA ASN A 90 3.651 -1.568 -8.271 1.00 0.57 H new ATOM 0 HB2 ASN A 90 2.096 0.217 -7.308 1.00 0.61 H new ATOM 0 HB3 ASN A 90 2.780 1.372 -8.435 1.00 0.61 H new ATOM 0 HD21 ASN A 90 0.635 0.404 -11.024 1.00 0.43 H new ATOM 0 HD22 ASN A 90 1.554 1.668 -10.199 1.00 0.43 H new ATOM 1340 N GLN A 91 4.409 -1.172 -10.663 1.00 0.88 N ATOM 1341 CA GLN A 91 5.054 -1.070 -11.981 1.00 1.06 C ATOM 1342 C GLN A 91 4.260 -1.814 -13.077 1.00 1.73 C ATOM 1343 O GLN A 91 3.773 -2.912 -12.821 1.00 3.32 O ATOM 1344 CB GLN A 91 6.478 -1.653 -11.863 1.00 1.07 C ATOM 1345 CG GLN A 91 7.477 -1.075 -12.871 1.00 1.47 C ATOM 1346 CD GLN A 91 7.943 0.329 -12.496 1.00 2.08 C ATOM 1347 OE1 GLN A 91 8.891 0.518 -11.742 1.00 2.71 O ATOM 1348 NE2 GLN A 91 7.320 1.363 -13.013 1.00 2.79 N ATOM 0 H GLN A 91 3.802 -1.987 -10.571 1.00 0.88 H new ATOM 0 HA GLN A 91 5.088 -0.022 -12.278 1.00 1.06 H new ATOM 0 HB2 GLN A 91 6.850 -1.472 -10.855 1.00 1.07 H new ATOM 0 HB3 GLN A 91 6.429 -2.734 -11.996 1.00 1.07 H new ATOM 0 HG2 GLN A 91 8.342 -1.735 -12.939 1.00 1.47 H new ATOM 0 HG3 GLN A 91 7.017 -1.049 -13.859 1.00 1.47 H new ATOM 0 HE21 GLN A 91 6.530 1.220 -13.642 1.00 2.79 H new ATOM 0 HE22 GLN A 91 7.626 2.309 -12.786 1.00 2.79 H new ATOM 1357 N ASN A 92 4.192 -1.239 -14.290 1.00 1.09 N ATOM 1358 CA ASN A 92 3.505 -1.643 -15.538 1.00 1.64 C ATOM 1359 C ASN A 92 2.329 -0.716 -15.924 1.00 1.35 C ATOM 1360 O ASN A 92 2.221 -0.359 -17.102 1.00 2.39 O ATOM 1361 CB ASN A 92 3.141 -3.142 -15.620 1.00 2.46 C ATOM 1362 CG ASN A 92 2.564 -3.513 -16.977 1.00 3.08 C ATOM 1363 OD1 ASN A 92 3.282 -3.697 -17.953 1.00 3.83 O ATOM 1364 ND2 ASN A 92 1.256 -3.542 -17.109 1.00 3.03 N ATOM 0 H ASN A 92 4.684 -0.359 -14.442 1.00 1.09 H new ATOM 0 HA ASN A 92 4.264 -1.503 -16.308 1.00 1.64 H new ATOM 0 HB2 ASN A 92 4.030 -3.742 -15.427 1.00 2.46 H new ATOM 0 HB3 ASN A 92 2.419 -3.383 -14.840 1.00 2.46 H new ATOM 0 HD21 ASN A 92 0.839 -3.718 -18.023 1.00 3.03 H new ATOM 0 HD22 ASN A 92 0.658 -3.389 -16.297 1.00 3.03 H new ATOM 1371 N GLY A 93 1.488 -0.282 -14.979 1.00 0.87 N ATOM 1372 CA GLY A 93 0.337 0.595 -15.250 1.00 1.24 C ATOM 1373 C GLY A 93 -0.319 1.197 -13.998 1.00 1.21 C ATOM 1374 O GLY A 93 0.177 1.036 -12.883 1.00 2.01 O ATOM 0 H GLY A 93 1.586 -0.530 -13.995 1.00 0.87 H new ATOM 0 HA2 GLY A 93 0.662 1.408 -15.900 1.00 1.24 H new ATOM 0 HA3 GLY A 93 -0.414 0.027 -15.800 1.00 1.24 H new ATOM 1378 N SER A 94 -1.432 1.907 -14.191 1.00 0.84 N ATOM 1379 CA SER A 94 -2.197 2.610 -13.145 1.00 0.77 C ATOM 1380 C SER A 94 -3.313 1.719 -12.572 1.00 0.71 C ATOM 1381 O SER A 94 -4.015 1.052 -13.342 1.00 0.90 O ATOM 1382 CB SER A 94 -2.819 3.901 -13.712 1.00 1.03 C ATOM 1383 OG SER A 94 -1.879 4.728 -14.387 1.00 1.85 O ATOM 0 H SER A 94 -1.847 2.016 -15.116 1.00 0.84 H new ATOM 0 HA SER A 94 -1.503 2.858 -12.342 1.00 0.77 H new ATOM 0 HB2 SER A 94 -3.621 3.637 -14.401 1.00 1.03 H new ATOM 0 HB3 SER A 94 -3.271 4.467 -12.897 1.00 1.03 H new ATOM 0 HG SER A 94 -2.331 5.529 -14.725 1.00 1.85 H new ATOM 1389 N LEU A 95 -3.510 1.698 -11.245 1.00 0.65 N ATOM 1390 CA LEU A 95 -4.514 0.853 -10.558 1.00 0.61 C ATOM 1391 C LEU A 95 -5.384 1.634 -9.556 1.00 0.58 C ATOM 1392 O LEU A 95 -4.982 2.684 -9.042 1.00 0.58 O ATOM 1393 CB LEU A 95 -3.850 -0.299 -9.771 1.00 0.55 C ATOM 1394 CG LEU A 95 -2.568 -0.968 -10.277 1.00 0.79 C ATOM 1395 CD1 LEU A 95 -2.038 -1.858 -9.148 1.00 0.75 C ATOM 1396 CD2 LEU A 95 -2.852 -1.833 -11.492 1.00 1.05 C ATOM 0 H LEU A 95 -2.969 2.276 -10.602 1.00 0.65 H new ATOM 0 HA LEU A 95 -5.141 0.469 -11.363 1.00 0.61 H new ATOM 0 HB2 LEU A 95 -3.639 0.079 -8.771 1.00 0.55 H new ATOM 0 HB3 LEU A 95 -4.598 -1.084 -9.664 1.00 0.55 H new ATOM 0 HG LEU A 95 -1.844 -0.205 -10.562 1.00 0.79 H new ATOM 0 HD11 LEU A 95 -1.123 -2.352 -9.473 1.00 0.75 H new ATOM 0 HD12 LEU A 95 -1.828 -1.246 -8.271 1.00 0.75 H new ATOM 0 HD13 LEU A 95 -2.786 -2.610 -8.896 1.00 0.75 H new ATOM 0 HD21 LEU A 95 -1.926 -2.297 -11.833 1.00 1.05 H new ATOM 0 HD22 LEU A 95 -3.571 -2.608 -11.227 1.00 1.05 H new ATOM 0 HD23 LEU A 95 -3.263 -1.215 -12.290 1.00 1.05 H new ATOM 1408 N LEU A 96 -6.540 1.057 -9.199 1.00 0.58 N ATOM 1409 CA LEU A 96 -7.419 1.534 -8.121 1.00 0.57 C ATOM 1410 C LEU A 96 -7.459 0.502 -6.980 1.00 0.51 C ATOM 1411 O LEU A 96 -7.821 -0.660 -7.195 1.00 0.52 O ATOM 1412 CB LEU A 96 -8.841 1.827 -8.652 1.00 0.73 C ATOM 1413 CG LEU A 96 -9.003 3.080 -9.536 1.00 1.06 C ATOM 1414 CD1 LEU A 96 -8.171 3.121 -10.825 1.00 1.93 C ATOM 1415 CD2 LEU A 96 -10.447 3.298 -9.965 1.00 1.71 C ATOM 0 H LEU A 96 -6.899 0.223 -9.664 1.00 0.58 H new ATOM 0 HA LEU A 96 -7.015 2.469 -7.732 1.00 0.57 H new ATOM 0 HB2 LEU A 96 -9.177 0.961 -9.223 1.00 0.73 H new ATOM 0 HB3 LEU A 96 -9.511 1.924 -7.797 1.00 0.73 H new ATOM 0 HG LEU A 96 -8.637 3.861 -8.870 1.00 1.06 H new ATOM 0 HD11 LEU A 96 -8.372 4.050 -11.358 1.00 1.93 H new ATOM 0 HD12 LEU A 96 -7.111 3.068 -10.576 1.00 1.93 H new ATOM 0 HD13 LEU A 96 -8.438 2.274 -11.457 1.00 1.93 H new ATOM 0 HD21 LEU A 96 -10.511 4.192 -10.586 1.00 1.71 H new ATOM 0 HD22 LEU A 96 -10.791 2.435 -10.535 1.00 1.71 H new ATOM 0 HD23 LEU A 96 -11.074 3.423 -9.082 1.00 1.71 H new ATOM 1427 N ILE A 97 -7.104 0.927 -5.762 1.00 0.50 N ATOM 1428 CA ILE A 97 -7.031 0.072 -4.565 1.00 0.47 C ATOM 1429 C ILE A 97 -8.016 0.551 -3.497 1.00 0.53 C ATOM 1430 O ILE A 97 -7.960 1.703 -3.076 1.00 0.64 O ATOM 1431 CB ILE A 97 -5.590 0.033 -4.001 1.00 0.56 C ATOM 1432 CG1 ILE A 97 -4.551 -0.326 -5.086 1.00 0.76 C ATOM 1433 CG2 ILE A 97 -5.472 -0.997 -2.863 1.00 0.58 C ATOM 1434 CD1 ILE A 97 -3.910 0.899 -5.745 1.00 1.22 C ATOM 0 H ILE A 97 -6.853 1.898 -5.574 1.00 0.50 H new ATOM 0 HA ILE A 97 -7.308 -0.941 -4.856 1.00 0.47 H new ATOM 0 HB ILE A 97 -5.382 1.035 -3.626 1.00 0.56 H new ATOM 0 HG12 ILE A 97 -3.769 -0.940 -4.640 1.00 0.76 H new ATOM 0 HG13 ILE A 97 -5.033 -0.932 -5.854 1.00 0.76 H new ATOM 0 HG21 ILE A 97 -4.450 -1.005 -2.484 1.00 0.58 H new ATOM 0 HG22 ILE A 97 -6.156 -0.729 -2.057 1.00 0.58 H new ATOM 0 HG23 ILE A 97 -5.727 -1.987 -3.241 1.00 0.58 H new ATOM 0 HD11 ILE A 97 -3.191 0.573 -6.497 1.00 1.22 H new ATOM 0 HD12 ILE A 97 -4.683 1.503 -6.220 1.00 1.22 H new ATOM 0 HD13 ILE A 97 -3.399 1.494 -4.988 1.00 1.22 H new ATOM 1446 N CYS A 98 -8.884 -0.330 -3.001 1.00 0.50 N ATOM 1447 CA CYS A 98 -9.711 -0.027 -1.833 1.00 0.59 C ATOM 1448 C CYS A 98 -8.890 -0.193 -0.542 1.00 0.67 C ATOM 1449 O CYS A 98 -8.242 -1.221 -0.321 1.00 0.84 O ATOM 1450 CB CYS A 98 -11.022 -0.828 -1.870 1.00 0.65 C ATOM 1451 SG CYS A 98 -10.741 -2.609 -1.744 1.00 1.58 S ATOM 0 H CYS A 98 -9.033 -1.261 -3.390 1.00 0.50 H new ATOM 0 HA CYS A 98 -10.018 1.019 -1.853 1.00 0.59 H new ATOM 0 HB2 CYS A 98 -11.666 -0.505 -1.052 1.00 0.65 H new ATOM 0 HB3 CYS A 98 -11.552 -0.611 -2.797 1.00 0.65 H new ATOM 0 HG CYS A 98 -9.727 -2.942 -2.486 1.00 1.58 H new ATOM 1457 N ALA A 99 -8.875 0.840 0.303 1.00 0.64 N ATOM 1458 CA ALA A 99 -8.114 0.853 1.548 1.00 0.72 C ATOM 1459 C ALA A 99 -8.857 0.068 2.637 1.00 0.92 C ATOM 1460 O ALA A 99 -10.030 0.349 2.885 1.00 1.03 O ATOM 1461 CB ALA A 99 -7.911 2.316 1.964 1.00 0.67 C ATOM 0 H ALA A 99 -9.398 1.700 0.137 1.00 0.64 H new ATOM 0 HA ALA A 99 -7.146 0.373 1.406 1.00 0.72 H new ATOM 0 HB1 ALA A 99 -7.344 2.354 2.894 1.00 0.67 H new ATOM 0 HB2 ALA A 99 -7.364 2.844 1.183 1.00 0.67 H new ATOM 0 HB3 ALA A 99 -8.881 2.790 2.111 1.00 0.67 H new ATOM 1467 N THR A 100 -8.181 -0.870 3.311 1.00 1.11 N ATOM 1468 CA THR A 100 -8.780 -1.663 4.409 1.00 1.31 C ATOM 1469 C THR A 100 -8.259 -1.283 5.795 1.00 1.17 C ATOM 1470 O THR A 100 -8.866 -1.673 6.792 1.00 1.17 O ATOM 1471 CB THR A 100 -8.661 -3.180 4.162 1.00 1.79 C ATOM 1472 OG1 THR A 100 -7.329 -3.660 4.189 1.00 3.10 O ATOM 1473 CG2 THR A 100 -9.261 -3.598 2.819 1.00 1.78 C ATOM 0 H THR A 100 -7.208 -1.105 3.118 1.00 1.11 H new ATOM 0 HA THR A 100 -9.839 -1.405 4.403 1.00 1.31 H new ATOM 0 HB THR A 100 -9.218 -3.620 4.989 1.00 1.79 H new ATOM 0 HG1 THR A 100 -6.739 -3.013 3.748 1.00 3.10 H new ATOM 0 HG21 THR A 100 -9.153 -4.675 2.692 1.00 1.78 H new ATOM 0 HG22 THR A 100 -10.318 -3.334 2.795 1.00 1.78 H new ATOM 0 HG23 THR A 100 -8.740 -3.083 2.012 1.00 1.78 H new ATOM 1481 N HIS A 101 -7.224 -0.442 5.868 1.00 1.08 N ATOM 1482 CA HIS A 101 -6.729 0.186 7.094 1.00 1.09 C ATOM 1483 C HIS A 101 -6.196 1.606 6.809 1.00 1.02 C ATOM 1484 O HIS A 101 -5.701 1.858 5.708 1.00 0.93 O ATOM 1485 CB HIS A 101 -5.595 -0.669 7.690 1.00 1.39 C ATOM 1486 CG HIS A 101 -5.945 -2.113 7.975 1.00 1.65 C ATOM 1487 ND1 HIS A 101 -5.506 -3.215 7.273 1.00 1.97 N ATOM 1488 CD2 HIS A 101 -6.760 -2.579 8.970 1.00 1.79 C ATOM 1489 CE1 HIS A 101 -6.055 -4.311 7.811 1.00 2.19 C ATOM 1490 NE2 HIS A 101 -6.833 -3.980 8.861 1.00 2.06 N ATOM 0 H HIS A 101 -6.688 -0.170 5.044 1.00 1.08 H new ATOM 0 HA HIS A 101 -7.556 0.257 7.801 1.00 1.09 H new ATOM 0 HB2 HIS A 101 -4.749 -0.648 7.003 1.00 1.39 H new ATOM 0 HB3 HIS A 101 -5.263 -0.204 8.619 1.00 1.39 H new ATOM 0 HD1 HIS A 101 -4.869 -3.198 6.476 1.00 1.97 H new ATOM 0 HD2 HIS A 101 -7.261 -1.975 9.712 1.00 1.79 H new ATOM 0 HE1 HIS A 101 -5.897 -5.318 7.454 1.00 2.19 H new ATOM 1498 N VAL A 102 -6.269 2.527 7.779 1.00 1.21 N ATOM 1499 CA VAL A 102 -5.532 3.814 7.725 1.00 1.34 C ATOM 1500 C VAL A 102 -4.052 3.558 8.015 1.00 1.49 C ATOM 1501 O VAL A 102 -3.711 2.525 8.589 1.00 1.50 O ATOM 1502 CB VAL A 102 -6.137 4.920 8.607 1.00 1.55 C ATOM 1503 CG1 VAL A 102 -7.460 5.388 8.000 1.00 2.15 C ATOM 1504 CG2 VAL A 102 -6.382 4.504 10.056 1.00 1.52 C ATOM 0 H VAL A 102 -6.834 2.411 8.620 1.00 1.21 H new ATOM 0 HA VAL A 102 -5.630 4.213 6.715 1.00 1.34 H new ATOM 0 HB VAL A 102 -5.398 5.721 8.632 1.00 1.55 H new ATOM 0 HG11 VAL A 102 -7.890 6.172 8.624 1.00 2.15 H new ATOM 0 HG12 VAL A 102 -7.283 5.779 6.998 1.00 2.15 H new ATOM 0 HG13 VAL A 102 -8.152 4.548 7.945 1.00 2.15 H new ATOM 0 HG21 VAL A 102 -6.809 5.341 10.608 1.00 1.52 H new ATOM 0 HG22 VAL A 102 -7.074 3.662 10.081 1.00 1.52 H new ATOM 0 HG23 VAL A 102 -5.438 4.211 10.515 1.00 1.52 H new ATOM 1514 N GLY A 103 -3.153 4.471 7.635 1.00 1.71 N ATOM 1515 CA GLY A 103 -1.706 4.191 7.587 1.00 1.93 C ATOM 1516 C GLY A 103 -1.069 3.688 8.886 1.00 2.12 C ATOM 1517 O GLY A 103 -0.249 2.773 8.843 1.00 2.17 O ATOM 0 H GLY A 103 -3.400 5.420 7.353 1.00 1.71 H new ATOM 0 HA2 GLY A 103 -1.527 3.450 6.808 1.00 1.93 H new ATOM 0 HA3 GLY A 103 -1.191 5.103 7.284 1.00 1.93 H new ATOM 1521 N ALA A 104 -1.460 4.226 10.040 1.00 2.32 N ATOM 1522 CA ALA A 104 -0.999 3.757 11.347 1.00 2.59 C ATOM 1523 C ALA A 104 -1.637 2.419 11.784 1.00 2.35 C ATOM 1524 O ALA A 104 -0.941 1.552 12.318 1.00 2.40 O ATOM 1525 CB ALA A 104 -1.202 4.881 12.363 1.00 3.17 C ATOM 0 H ALA A 104 -2.113 5.008 10.095 1.00 2.32 H new ATOM 0 HA ALA A 104 0.063 3.522 11.280 1.00 2.59 H new ATOM 0 HB1 ALA A 104 -0.864 4.550 13.345 1.00 3.17 H new ATOM 0 HB2 ALA A 104 -0.628 5.756 12.057 1.00 3.17 H new ATOM 0 HB3 ALA A 104 -2.260 5.140 12.412 1.00 3.17 H new ATOM 1531 N ASP A 105 -2.929 2.211 11.521 1.00 2.22 N ATOM 1532 CA ASP A 105 -3.658 0.951 11.761 1.00 2.21 C ATOM 1533 C ASP A 105 -3.288 -0.190 10.782 1.00 1.85 C ATOM 1534 O ASP A 105 -3.750 -1.319 10.960 1.00 1.98 O ATOM 1535 CB ASP A 105 -5.171 1.226 11.798 1.00 2.50 C ATOM 1536 CG ASP A 105 -5.989 0.032 12.316 1.00 2.74 C ATOM 1537 OD1 ASP A 105 -5.570 -0.651 13.278 1.00 3.31 O ATOM 1538 OD2 ASP A 105 -7.073 -0.269 11.761 1.00 2.99 O ATOM 0 H ASP A 105 -3.523 2.937 11.121 1.00 2.22 H new ATOM 0 HA ASP A 105 -3.342 0.577 12.735 1.00 2.21 H new ATOM 0 HB2 ASP A 105 -5.361 2.092 12.432 1.00 2.50 H new ATOM 0 HB3 ASP A 105 -5.512 1.485 10.795 1.00 2.50 H new ATOM 1543 N THR A 106 -2.464 0.090 9.761 1.00 1.56 N ATOM 1544 CA THR A 106 -2.038 -0.866 8.719 1.00 1.42 C ATOM 1545 C THR A 106 -1.480 -2.173 9.267 1.00 1.38 C ATOM 1546 O THR A 106 -0.811 -2.220 10.308 1.00 1.22 O ATOM 1547 CB THR A 106 -0.963 -0.305 7.761 1.00 1.18 C ATOM 1548 OG1 THR A 106 0.136 0.244 8.458 1.00 1.73 O ATOM 1549 CG2 THR A 106 -1.492 0.684 6.735 1.00 1.64 C ATOM 0 H THR A 106 -2.061 1.018 9.631 1.00 1.56 H new ATOM 0 HA THR A 106 -2.969 -1.049 8.183 1.00 1.42 H new ATOM 0 HB THR A 106 -0.622 -1.174 7.198 1.00 1.18 H new ATOM 0 HG1 THR A 106 0.192 1.205 8.276 1.00 1.73 H new ATOM 0 HG21 THR A 106 -0.672 1.027 6.104 1.00 1.64 H new ATOM 0 HG22 THR A 106 -2.247 0.198 6.117 1.00 1.64 H new ATOM 0 HG23 THR A 106 -1.937 1.537 7.248 1.00 1.64 H new ATOM 1557 N THR A 107 -1.653 -3.223 8.462 1.00 1.68 N ATOM 1558 CA THR A 107 -1.031 -4.539 8.644 1.00 1.84 C ATOM 1559 C THR A 107 0.503 -4.427 8.691 1.00 1.68 C ATOM 1560 O THR A 107 1.155 -5.114 9.475 1.00 1.72 O ATOM 1561 CB THR A 107 -1.543 -5.477 7.530 1.00 2.34 C ATOM 1562 OG1 THR A 107 -1.642 -6.793 8.007 1.00 2.69 O ATOM 1563 CG2 THR A 107 -0.712 -5.506 6.244 1.00 2.49 C ATOM 0 H THR A 107 -2.250 -3.181 7.636 1.00 1.68 H new ATOM 0 HA THR A 107 -1.315 -4.966 9.606 1.00 1.84 H new ATOM 0 HB THR A 107 -2.512 -5.056 7.263 1.00 2.34 H new ATOM 0 HG1 THR A 107 -1.969 -7.377 7.291 1.00 2.69 H new ATOM 0 HG21 THR A 107 -1.165 -6.198 5.534 1.00 2.49 H new ATOM 0 HG22 THR A 107 -0.681 -4.507 5.808 1.00 2.49 H new ATOM 0 HG23 THR A 107 0.302 -5.834 6.473 1.00 2.49 H new ATOM 1571 N LEU A 108 1.071 -3.476 7.933 1.00 1.58 N ATOM 1572 CA LEU A 108 2.488 -3.107 7.909 1.00 1.55 C ATOM 1573 C LEU A 108 2.984 -2.583 9.267 1.00 1.40 C ATOM 1574 O LEU A 108 3.983 -3.072 9.790 1.00 1.46 O ATOM 1575 CB LEU A 108 2.667 -2.027 6.822 1.00 1.60 C ATOM 1576 CG LEU A 108 4.128 -1.578 6.629 1.00 0.77 C ATOM 1577 CD1 LEU A 108 4.901 -2.603 5.812 1.00 1.33 C ATOM 1578 CD2 LEU A 108 4.182 -0.247 5.891 1.00 0.82 C ATOM 0 H LEU A 108 0.519 -2.914 7.285 1.00 1.58 H new ATOM 0 HA LEU A 108 3.083 -3.994 7.690 1.00 1.55 H new ATOM 0 HB2 LEU A 108 2.286 -2.410 5.875 1.00 1.60 H new ATOM 0 HB3 LEU A 108 2.061 -1.159 7.082 1.00 1.60 H new ATOM 0 HG LEU A 108 4.575 -1.478 7.618 1.00 0.77 H new ATOM 0 HD11 LEU A 108 5.930 -2.267 5.687 1.00 1.33 H new ATOM 0 HD12 LEU A 108 4.893 -3.562 6.330 1.00 1.33 H new ATOM 0 HD13 LEU A 108 4.434 -2.715 4.833 1.00 1.33 H new ATOM 0 HD21 LEU A 108 5.221 0.056 5.763 1.00 0.82 H new ATOM 0 HD22 LEU A 108 3.712 -0.354 4.913 1.00 0.82 H new ATOM 0 HD23 LEU A 108 3.652 0.511 6.468 1.00 0.82 H new ATOM 1590 N SER A 109 2.281 -1.605 9.850 1.00 1.26 N ATOM 1591 CA SER A 109 2.676 -1.003 11.134 1.00 1.23 C ATOM 1592 C SER A 109 2.477 -1.962 12.317 1.00 1.18 C ATOM 1593 O SER A 109 3.077 -1.769 13.372 1.00 1.25 O ATOM 1594 CB SER A 109 1.922 0.305 11.381 1.00 1.28 C ATOM 1595 OG SER A 109 2.163 1.253 10.353 1.00 2.50 O ATOM 0 H SER A 109 1.429 -1.210 9.451 1.00 1.26 H new ATOM 0 HA SER A 109 3.742 -0.789 11.063 1.00 1.23 H new ATOM 0 HB2 SER A 109 0.853 0.102 11.445 1.00 1.28 H new ATOM 0 HB3 SER A 109 2.225 0.724 12.341 1.00 1.28 H new ATOM 0 HG SER A 109 1.573 1.068 9.593 1.00 2.50 H new ATOM 1601 N GLN A 110 1.668 -3.017 12.155 1.00 1.14 N ATOM 1602 CA GLN A 110 1.579 -4.107 13.127 1.00 1.14 C ATOM 1603 C GLN A 110 2.808 -5.033 13.092 1.00 1.22 C ATOM 1604 O GLN A 110 3.279 -5.427 14.154 1.00 1.26 O ATOM 1605 CB GLN A 110 0.261 -4.865 12.928 1.00 1.22 C ATOM 1606 CG GLN A 110 0.017 -5.944 13.988 1.00 1.24 C ATOM 1607 CD GLN A 110 -0.270 -5.324 15.345 1.00 1.41 C ATOM 1608 OE1 GLN A 110 0.477 -5.454 16.310 1.00 1.53 O ATOM 1609 NE2 GLN A 110 -1.338 -4.571 15.450 1.00 1.75 N ATOM 0 H GLN A 110 1.058 -3.136 11.346 1.00 1.14 H new ATOM 0 HA GLN A 110 1.579 -3.677 14.128 1.00 1.14 H new ATOM 0 HB2 GLN A 110 -0.565 -4.154 12.946 1.00 1.22 H new ATOM 0 HB3 GLN A 110 0.262 -5.328 11.941 1.00 1.22 H new ATOM 0 HG2 GLN A 110 -0.822 -6.571 13.687 1.00 1.24 H new ATOM 0 HG3 GLN A 110 0.890 -6.593 14.059 1.00 1.24 H new ATOM 0 HE21 GLN A 110 -1.963 -4.459 14.652 1.00 1.75 H new ATOM 0 HE22 GLN A 110 -1.544 -4.098 16.330 1.00 1.75 H new ATOM 1618 N ILE A 111 3.369 -5.356 11.916 1.00 1.29 N ATOM 1619 CA ILE A 111 4.554 -6.244 11.786 1.00 1.40 C ATOM 1620 C ILE A 111 5.686 -5.812 12.731 1.00 1.35 C ATOM 1621 O ILE A 111 6.153 -6.617 13.535 1.00 1.48 O ATOM 1622 CB ILE A 111 5.067 -6.335 10.322 1.00 1.46 C ATOM 1623 CG1 ILE A 111 4.032 -7.035 9.416 1.00 1.66 C ATOM 1624 CG2 ILE A 111 6.408 -7.095 10.228 1.00 1.61 C ATOM 1625 CD1 ILE A 111 4.292 -6.856 7.914 1.00 1.67 C ATOM 0 H ILE A 111 3.019 -5.012 11.022 1.00 1.29 H new ATOM 0 HA ILE A 111 4.226 -7.242 12.078 1.00 1.40 H new ATOM 0 HB ILE A 111 5.220 -5.311 9.982 1.00 1.46 H new ATOM 0 HG12 ILE A 111 4.023 -8.100 9.648 1.00 1.66 H new ATOM 0 HG13 ILE A 111 3.040 -6.649 9.651 1.00 1.66 H new ATOM 0 HG21 ILE A 111 6.731 -7.136 9.188 1.00 1.61 H new ATOM 0 HG22 ILE A 111 7.162 -6.578 10.822 1.00 1.61 H new ATOM 0 HG23 ILE A 111 6.279 -8.109 10.608 1.00 1.61 H new ATOM 0 HD11 ILE A 111 3.521 -7.378 7.347 1.00 1.67 H new ATOM 0 HD12 ILE A 111 4.271 -5.795 7.665 1.00 1.67 H new ATOM 0 HD13 ILE A 111 5.269 -7.268 7.662 1.00 1.67 H new ATOM 1637 N VAL A 112 6.090 -4.536 12.711 1.00 1.23 N ATOM 1638 CA VAL A 112 7.156 -4.023 13.599 1.00 1.25 C ATOM 1639 C VAL A 112 6.794 -4.100 15.088 1.00 1.32 C ATOM 1640 O VAL A 112 7.670 -4.302 15.928 1.00 1.50 O ATOM 1641 CB VAL A 112 7.566 -2.581 13.228 1.00 1.17 C ATOM 1642 CG1 VAL A 112 8.206 -2.550 11.839 1.00 1.13 C ATOM 1643 CG2 VAL A 112 6.406 -1.578 13.231 1.00 1.15 C ATOM 0 H VAL A 112 5.696 -3.831 12.088 1.00 1.23 H new ATOM 0 HA VAL A 112 8.008 -4.684 13.439 1.00 1.25 H new ATOM 0 HB VAL A 112 8.269 -2.279 14.004 1.00 1.17 H new ATOM 0 HG11 VAL A 112 8.490 -1.527 11.592 1.00 1.13 H new ATOM 0 HG12 VAL A 112 9.093 -3.184 11.833 1.00 1.13 H new ATOM 0 HG13 VAL A 112 7.492 -2.917 11.101 1.00 1.13 H new ATOM 0 HG21 VAL A 112 6.779 -0.590 12.960 1.00 1.15 H new ATOM 0 HG22 VAL A 112 5.652 -1.892 12.509 1.00 1.15 H new ATOM 0 HG23 VAL A 112 5.962 -1.538 14.226 1.00 1.15 H new