USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 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 60 MET CE :methyl -153:sc= -2.59! (180deg=-1.14) USER MOD Set 1.2: A 84 CYS SG : rot 106:sc= -0.265 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0493 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.7!) USER MOD Single : A 13 THR OG1 : rot -102:sc= -1.82! USER MOD Single : A 16 GLN : amide:sc= -0.0384 K(o=-0.038,f=-2.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.8) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 90:sc= -7.57! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -91:sc= 1.01 USER MOD Single : A 39 LYS NZ :NH3+ -114:sc= -0.0242 (180deg=-0.303) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -131:sc= -0.402 (180deg=-2.7!) USER MOD Single : A 47 MET CE :methyl -139:sc=-0.00656 (180deg=-0.695) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.599 F(o=-1.8,f=-0.6) USER MOD Single : A 51 ASN : amide:sc= -1.15 K(o=-1.1,f=-2!) USER MOD Single : A 53 THR OG1 : rot 110:sc= -1.35! USER MOD Single : A 58 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.023) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 158:sc= 0.268 USER MOD Single : A 80 MET CE :methyl 167:sc= -6.95! (180deg=-8.37!) USER MOD Single : A 81 MET CE :methyl -111:sc= -7.85! (180deg=-11.4!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.731 1.403 3.380 1.00 0.90 N ATOM 45 CA ILE A 4 83.029 0.422 4.257 1.00 0.89 C ATOM 46 C ILE A 4 81.633 0.123 3.704 1.00 0.82 C ATOM 47 O ILE A 4 81.137 -0.981 3.809 1.00 0.85 O ATOM 48 CB ILE A 4 82.932 1.106 5.620 1.00 0.85 C ATOM 49 CG1 ILE A 4 81.982 2.302 5.522 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.318 1.592 6.048 1.00 0.75 C ATOM 51 CD1 ILE A 4 81.848 2.962 6.896 1.00 1.74 C ATOM 0 HA ILE A 4 83.557 -0.530 4.317 1.00 0.89 H new ATOM 0 HB ILE A 4 82.552 0.397 6.356 1.00 0.85 H new ATOM 0 HG12 ILE A 4 82.360 3.022 4.796 1.00 1.02 H new ATOM 0 HG13 ILE A 4 81.005 1.975 5.167 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.248 2.080 7.020 1.00 0.75 H new ATOM 0 HG22 ILE A 4 84.997 0.742 6.116 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.698 2.301 5.313 1.00 0.75 H new ATOM 0 HD11 ILE A 4 81.171 3.814 6.826 1.00 1.74 H new ATOM 0 HD12 ILE A 4 81.450 2.240 7.609 1.00 1.74 H new ATOM 0 HD13 ILE A 4 82.827 3.303 7.233 1.00 1.74 H new ATOM 63 N TYR A 5 80.997 1.099 3.117 1.00 0.78 N ATOM 64 CA TYR A 5 79.633 0.870 2.557 1.00 0.78 C ATOM 65 C TYR A 5 79.727 0.083 1.248 1.00 0.92 C ATOM 66 O TYR A 5 78.822 -0.639 0.880 1.00 0.99 O ATOM 67 CB TYR A 5 79.070 2.269 2.308 1.00 0.78 C ATOM 68 CG TYR A 5 79.005 3.021 3.614 1.00 0.92 C ATOM 69 CD1 TYR A 5 77.956 2.781 4.509 1.00 1.31 C ATOM 70 CD2 TYR A 5 79.996 3.958 3.932 1.00 1.77 C ATOM 71 CE1 TYR A 5 77.897 3.478 5.722 1.00 1.36 C ATOM 72 CE2 TYR A 5 79.937 4.655 5.145 1.00 2.00 C ATOM 73 CZ TYR A 5 78.887 4.414 6.040 1.00 1.35 C ATOM 74 OH TYR A 5 78.830 5.100 7.236 1.00 1.60 O ATOM 0 H TYR A 5 81.361 2.045 3.000 1.00 0.78 H new ATOM 0 HA TYR A 5 78.999 0.291 3.228 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.699 2.805 1.597 1.00 0.78 H new ATOM 0 HB3 TYR A 5 78.076 2.200 1.865 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.192 2.058 4.264 1.00 1.31 H new ATOM 0 HD2 TYR A 5 80.806 4.143 3.242 1.00 1.77 H new ATOM 0 HE1 TYR A 5 77.087 3.293 6.412 1.00 1.36 H new ATOM 0 HE2 TYR A 5 80.701 5.378 5.390 1.00 2.00 H new ATOM 0 HH TYR A 5 79.594 5.710 7.300 1.00 1.60 H new ATOM 84 N LYS A 6 80.817 0.215 0.543 1.00 1.02 N ATOM 85 CA LYS A 6 80.969 -0.528 -0.739 1.00 1.19 C ATOM 86 C LYS A 6 80.965 -2.036 -0.477 1.00 1.15 C ATOM 87 O LYS A 6 80.253 -2.786 -1.115 1.00 1.19 O ATOM 88 CB LYS A 6 82.324 -0.085 -1.296 1.00 1.38 C ATOM 89 CG LYS A 6 82.164 0.328 -2.761 1.00 1.86 C ATOM 90 CD LYS A 6 83.383 -0.139 -3.559 1.00 1.94 C ATOM 91 CE LYS A 6 83.995 1.052 -4.300 1.00 2.16 C ATOM 92 NZ LYS A 6 83.482 0.942 -5.694 1.00 2.91 N ATOM 0 H LYS A 6 81.608 0.805 0.799 1.00 1.02 H new ATOM 0 HA LYS A 6 80.156 -0.323 -1.435 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.714 0.749 -0.713 1.00 1.38 H new ATOM 0 HB3 LYS A 6 83.046 -0.897 -1.213 1.00 1.38 H new ATOM 0 HG2 LYS A 6 81.255 -0.109 -3.176 1.00 1.86 H new ATOM 0 HG3 LYS A 6 82.060 1.410 -2.835 1.00 1.86 H new ATOM 0 HD2 LYS A 6 84.121 -0.583 -2.890 1.00 1.94 H new ATOM 0 HD3 LYS A 6 83.091 -0.912 -4.270 1.00 1.94 H new ATOM 0 HE2 LYS A 6 83.698 1.996 -3.843 1.00 2.16 H new ATOM 0 HE3 LYS A 6 85.084 1.015 -4.276 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 83.858 1.725 -6.265 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 83.786 0.036 -6.105 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 82.443 0.987 -5.686 1.00 2.91 H new ATOM 106 N ALA A 7 81.756 -2.486 0.460 1.00 1.13 N ATOM 107 CA ALA A 7 81.796 -3.944 0.765 1.00 1.14 C ATOM 108 C ALA A 7 80.424 -4.421 1.250 1.00 1.06 C ATOM 109 O ALA A 7 80.079 -5.579 1.125 1.00 1.10 O ATOM 110 CB ALA A 7 82.839 -4.087 1.874 1.00 1.20 C ATOM 0 H ALA A 7 82.376 -1.907 1.027 1.00 1.13 H new ATOM 0 HA ALA A 7 82.048 -4.543 -0.110 1.00 1.14 H new ATOM 0 HB1 ALA A 7 82.928 -5.136 2.156 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.803 -3.724 1.516 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.531 -3.503 2.741 1.00 1.20 H new ATOM 116 N ALA A 8 79.638 -3.537 1.801 1.00 0.99 N ATOM 117 CA ALA A 8 78.288 -3.942 2.291 1.00 0.95 C ATOM 118 C ALA A 8 77.565 -4.760 1.219 1.00 0.95 C ATOM 119 O ALA A 8 77.155 -5.881 1.451 1.00 1.02 O ATOM 120 CB ALA A 8 77.551 -2.628 2.553 1.00 0.91 C ATOM 0 H ALA A 8 79.871 -2.553 1.933 1.00 0.99 H new ATOM 0 HA ALA A 8 78.340 -4.563 3.185 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.546 -2.841 2.917 1.00 0.91 H new ATOM 0 HB2 ALA A 8 78.093 -2.050 3.301 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.488 -2.056 1.628 1.00 0.91 H new ATOM 126 N VAL A 9 77.407 -4.212 0.045 1.00 0.97 N ATOM 127 CA VAL A 9 76.714 -4.963 -1.042 1.00 1.07 C ATOM 128 C VAL A 9 77.594 -6.121 -1.519 1.00 1.16 C ATOM 129 O VAL A 9 77.107 -7.149 -1.946 1.00 1.18 O ATOM 130 CB VAL A 9 76.514 -3.944 -2.164 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.048 -4.662 -3.431 1.00 1.89 C ATOM 132 CG2 VAL A 9 75.456 -2.922 -1.740 1.00 1.49 C ATOM 0 H VAL A 9 77.727 -3.277 -0.209 1.00 0.97 H new ATOM 0 HA VAL A 9 75.768 -5.393 -0.712 1.00 1.07 H new ATOM 0 HB VAL A 9 77.456 -3.434 -2.363 1.00 1.21 H new ATOM 0 HG11 VAL A 9 75.906 -3.934 -4.230 1.00 1.89 H new ATOM 0 HG12 VAL A 9 76.800 -5.391 -3.734 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.106 -5.173 -3.234 1.00 1.89 H new ATOM 0 HG21 VAL A 9 75.312 -2.195 -2.539 1.00 1.49 H new ATOM 0 HG22 VAL A 9 74.514 -3.434 -1.542 1.00 1.49 H new ATOM 0 HG23 VAL A 9 75.787 -2.409 -0.837 1.00 1.49 H new ATOM 142 N GLU A 10 78.887 -5.962 -1.447 1.00 1.28 N ATOM 143 CA GLU A 10 79.799 -7.053 -1.891 1.00 1.44 C ATOM 144 C GLU A 10 79.602 -8.293 -1.016 1.00 1.41 C ATOM 145 O GLU A 10 80.019 -9.381 -1.359 1.00 1.54 O ATOM 146 CB GLU A 10 81.208 -6.487 -1.713 1.00 1.68 C ATOM 147 CG GLU A 10 82.179 -7.231 -2.631 1.00 2.16 C ATOM 148 CD GLU A 10 83.170 -6.236 -3.241 1.00 2.64 C ATOM 149 OE1 GLU A 10 82.772 -5.510 -4.137 1.00 3.13 O ATOM 150 OE2 GLU A 10 84.307 -6.219 -2.801 1.00 3.13 O ATOM 0 H GLU A 10 79.351 -5.123 -1.100 1.00 1.28 H new ATOM 0 HA GLU A 10 79.610 -7.358 -2.920 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.215 -5.422 -1.946 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.523 -6.589 -0.675 1.00 1.68 H new ATOM 0 HG2 GLU A 10 82.715 -7.995 -2.068 1.00 2.16 H new ATOM 0 HG3 GLU A 10 81.629 -7.743 -3.421 1.00 2.16 H new ATOM 157 N GLN A 11 78.967 -8.137 0.114 1.00 1.37 N ATOM 158 CA GLN A 11 78.742 -9.307 1.012 1.00 1.43 C ATOM 159 C GLN A 11 77.461 -10.040 0.607 1.00 1.24 C ATOM 160 O GLN A 11 77.204 -11.147 1.038 1.00 1.31 O ATOM 161 CB GLN A 11 78.599 -8.710 2.413 1.00 1.58 C ATOM 162 CG GLN A 11 79.803 -7.816 2.713 1.00 1.88 C ATOM 163 CD GLN A 11 80.691 -8.488 3.761 1.00 2.09 C ATOM 164 OE1 GLN A 11 80.642 -9.690 3.934 1.00 2.64 O ATOM 165 NE2 GLN A 11 81.506 -7.759 4.473 1.00 2.48 N ATOM 0 H GLN A 11 78.594 -7.251 0.454 1.00 1.37 H new ATOM 0 HA GLN A 11 79.554 -10.032 0.961 1.00 1.43 H new ATOM 0 HB2 GLN A 11 77.678 -8.132 2.481 1.00 1.58 H new ATOM 0 HB3 GLN A 11 78.531 -9.507 3.154 1.00 1.58 H new ATOM 0 HG2 GLN A 11 80.372 -7.636 1.801 1.00 1.88 H new ATOM 0 HG3 GLN A 11 79.466 -6.845 3.075 1.00 1.88 H new ATOM 0 HE21 GLN A 11 81.547 -6.750 4.328 1.00 2.48 H new ATOM 0 HE22 GLN A 11 82.102 -8.198 5.175 1.00 2.48 H new ATOM 174 N LEU A 12 76.653 -9.429 -0.218 1.00 1.24 N ATOM 175 CA LEU A 12 75.388 -10.091 -0.650 1.00 1.13 C ATOM 176 C LEU A 12 75.647 -10.987 -1.864 1.00 1.02 C ATOM 177 O LEU A 12 76.179 -10.553 -2.866 1.00 1.28 O ATOM 178 CB LEU A 12 74.450 -8.943 -1.025 1.00 1.12 C ATOM 179 CG LEU A 12 74.322 -7.978 0.155 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.431 -6.800 -0.243 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.699 -8.710 1.344 1.00 1.49 C ATOM 0 H LEU A 12 76.814 -8.502 -0.611 1.00 1.24 H new ATOM 0 HA LEU A 12 74.967 -10.726 0.130 1.00 1.13 H new ATOM 0 HB2 LEU A 12 74.835 -8.416 -1.898 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.469 -9.335 -1.295 1.00 1.12 H new ATOM 0 HG LEU A 12 75.309 -7.608 0.432 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.340 -6.112 0.598 1.00 2.02 H new ATOM 0 HD12 LEU A 12 73.874 -6.279 -1.091 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.443 -7.168 -0.519 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.607 -8.024 2.186 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.712 -9.079 1.067 1.00 1.49 H new ATOM 0 HD23 LEU A 12 74.334 -9.549 1.628 1.00 1.49 H new ATOM 193 N THR A 13 75.272 -12.233 -1.782 1.00 0.93 N ATOM 194 CA THR A 13 75.495 -13.154 -2.934 1.00 0.93 C ATOM 195 C THR A 13 74.529 -12.814 -4.073 1.00 0.88 C ATOM 196 O THR A 13 73.714 -11.920 -3.960 1.00 0.86 O ATOM 197 CB THR A 13 75.209 -14.553 -2.384 1.00 1.03 C ATOM 198 OG1 THR A 13 74.040 -14.512 -1.578 1.00 1.13 O ATOM 199 CG2 THR A 13 76.395 -15.024 -1.543 1.00 1.20 C ATOM 0 H THR A 13 74.822 -12.654 -0.969 1.00 0.93 H new ATOM 0 HA THR A 13 76.504 -13.076 -3.339 1.00 0.93 H new ATOM 0 HB THR A 13 75.056 -15.246 -3.211 1.00 1.03 H new ATOM 0 HG1 THR A 13 74.295 -14.511 -0.632 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.191 -16.021 -1.152 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.291 -15.054 -2.163 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.550 -14.333 -0.714 1.00 1.20 H new ATOM 207 N GLU A 14 74.615 -13.518 -5.168 1.00 0.88 N ATOM 208 CA GLU A 14 73.701 -13.232 -6.310 1.00 0.87 C ATOM 209 C GLU A 14 72.252 -13.536 -5.921 1.00 0.82 C ATOM 210 O GLU A 14 71.321 -12.989 -6.478 1.00 0.79 O ATOM 211 CB GLU A 14 74.162 -14.165 -7.430 1.00 0.99 C ATOM 212 CG GLU A 14 73.946 -15.618 -7.004 1.00 1.98 C ATOM 213 CD GLU A 14 74.154 -16.540 -8.206 1.00 2.36 C ATOM 214 OE1 GLU A 14 74.843 -16.132 -9.127 1.00 2.36 O ATOM 215 OE2 GLU A 14 73.624 -17.638 -8.185 1.00 3.17 O ATOM 0 H GLU A 14 75.278 -14.278 -5.321 1.00 0.88 H new ATOM 0 HA GLU A 14 73.734 -12.185 -6.611 1.00 0.87 H new ATOM 0 HB2 GLU A 14 73.606 -13.956 -8.344 1.00 0.99 H new ATOM 0 HB3 GLU A 14 75.215 -13.992 -7.651 1.00 0.99 H new ATOM 0 HG2 GLU A 14 74.641 -15.881 -6.206 1.00 1.98 H new ATOM 0 HG3 GLU A 14 72.940 -15.745 -6.605 1.00 1.98 H new ATOM 222 N GLU A 15 72.054 -14.406 -4.969 1.00 0.85 N ATOM 223 CA GLU A 15 70.664 -14.744 -4.547 1.00 0.84 C ATOM 224 C GLU A 15 70.116 -13.660 -3.614 1.00 0.76 C ATOM 225 O GLU A 15 68.934 -13.385 -3.595 1.00 0.70 O ATOM 226 CB GLU A 15 70.787 -16.077 -3.806 1.00 0.92 C ATOM 227 CG GLU A 15 71.454 -15.848 -2.449 1.00 1.49 C ATOM 228 CD GLU A 15 71.859 -17.194 -1.845 1.00 1.88 C ATOM 229 OE1 GLU A 15 70.982 -18.016 -1.638 1.00 2.62 O ATOM 230 OE2 GLU A 15 73.040 -17.379 -1.600 1.00 2.07 O ATOM 0 H GLU A 15 72.793 -14.897 -4.465 1.00 0.85 H new ATOM 0 HA GLU A 15 69.980 -14.810 -5.393 1.00 0.84 H new ATOM 0 HB2 GLU A 15 69.801 -16.521 -3.668 1.00 0.92 H new ATOM 0 HB3 GLU A 15 71.373 -16.781 -4.397 1.00 0.92 H new ATOM 0 HG2 GLU A 15 72.331 -15.211 -2.566 1.00 1.49 H new ATOM 0 HG3 GLU A 15 70.770 -15.328 -1.779 1.00 1.49 H new ATOM 237 N GLN A 16 70.968 -13.043 -2.842 1.00 0.79 N ATOM 238 CA GLN A 16 70.495 -11.977 -1.912 1.00 0.74 C ATOM 239 C GLN A 16 70.343 -10.651 -2.663 1.00 0.68 C ATOM 240 O GLN A 16 69.436 -9.883 -2.408 1.00 0.67 O ATOM 241 CB GLN A 16 71.585 -11.868 -0.846 1.00 0.79 C ATOM 242 CG GLN A 16 71.292 -12.854 0.285 1.00 0.88 C ATOM 243 CD GLN A 16 72.088 -12.455 1.530 1.00 1.70 C ATOM 244 OE1 GLN A 16 73.121 -11.823 1.428 1.00 2.53 O ATOM 245 NE2 GLN A 16 71.649 -12.801 2.709 1.00 2.20 N ATOM 0 H GLN A 16 71.970 -13.230 -2.814 1.00 0.79 H new ATOM 0 HA GLN A 16 69.523 -12.209 -1.477 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.560 -12.080 -1.285 1.00 0.79 H new ATOM 0 HB3 GLN A 16 71.626 -10.851 -0.455 1.00 0.79 H new ATOM 0 HG2 GLN A 16 70.225 -12.860 0.509 1.00 0.88 H new ATOM 0 HG3 GLN A 16 71.559 -13.865 -0.022 1.00 0.88 H new ATOM 0 HE21 GLN A 16 70.782 -13.331 2.795 1.00 2.20 H new ATOM 0 HE22 GLN A 16 72.173 -12.541 3.545 1.00 2.20 H new ATOM 254 N LYS A 17 71.224 -10.376 -3.585 1.00 0.69 N ATOM 255 CA LYS A 17 71.129 -9.100 -4.349 1.00 0.68 C ATOM 256 C LYS A 17 69.940 -9.147 -5.311 1.00 0.62 C ATOM 257 O LYS A 17 69.154 -8.223 -5.389 1.00 0.57 O ATOM 258 CB LYS A 17 72.442 -9.006 -5.127 1.00 0.79 C ATOM 259 CG LYS A 17 73.583 -8.671 -4.166 1.00 1.01 C ATOM 260 CD LYS A 17 74.406 -7.512 -4.732 1.00 1.53 C ATOM 261 CE LYS A 17 75.171 -7.987 -5.970 1.00 1.70 C ATOM 262 NZ LYS A 17 75.428 -6.751 -6.760 1.00 2.33 N ATOM 0 H LYS A 17 72.005 -10.979 -3.842 1.00 0.69 H new ATOM 0 HA LYS A 17 70.977 -8.239 -3.698 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.645 -9.949 -5.634 1.00 0.79 H new ATOM 0 HB3 LYS A 17 72.366 -8.240 -5.898 1.00 0.79 H new ATOM 0 HG2 LYS A 17 73.182 -8.402 -3.189 1.00 1.01 H new ATOM 0 HG3 LYS A 17 74.218 -9.545 -4.021 1.00 1.01 H new ATOM 0 HD2 LYS A 17 73.752 -6.680 -4.993 1.00 1.53 H new ATOM 0 HD3 LYS A 17 75.103 -7.145 -3.979 1.00 1.53 H new ATOM 0 HE2 LYS A 17 76.103 -8.480 -5.693 1.00 1.70 H new ATOM 0 HE3 LYS A 17 74.587 -8.708 -6.543 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 75.950 -6.995 -7.626 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 74.523 -6.307 -7.015 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 75.991 -6.087 -6.192 1.00 2.33 H new ATOM 276 N ASN A 18 69.801 -10.218 -6.044 1.00 0.65 N ATOM 277 CA ASN A 18 68.664 -10.326 -7.001 1.00 0.64 C ATOM 278 C ASN A 18 67.337 -10.388 -6.236 1.00 0.58 C ATOM 279 O ASN A 18 66.287 -10.093 -6.770 1.00 0.56 O ATOM 280 CB ASN A 18 68.921 -11.628 -7.762 1.00 0.73 C ATOM 281 CG ASN A 18 67.625 -12.117 -8.410 1.00 0.91 C ATOM 282 OD1 ASN A 18 66.926 -11.356 -9.050 1.00 1.55 O ATOM 283 ND2 ASN A 18 67.274 -13.365 -8.270 1.00 1.35 N ATOM 0 H ASN A 18 70.426 -11.023 -6.021 1.00 0.65 H new ATOM 0 HA ASN A 18 68.596 -9.471 -7.673 1.00 0.64 H new ATOM 0 HB2 ASN A 18 69.682 -11.469 -8.526 1.00 0.73 H new ATOM 0 HB3 ASN A 18 69.306 -12.387 -7.081 1.00 0.73 H new ATOM 0 HD21 ASN A 18 66.412 -13.703 -8.698 1.00 1.35 H new ATOM 0 HD22 ASN A 18 67.861 -14.003 -7.733 1.00 1.35 H new ATOM 290 N GLU A 19 67.378 -10.769 -4.988 1.00 0.62 N ATOM 291 CA GLU A 19 66.119 -10.846 -4.193 1.00 0.64 C ATOM 292 C GLU A 19 65.576 -9.439 -3.934 1.00 0.58 C ATOM 293 O GLU A 19 64.384 -9.204 -3.978 1.00 0.61 O ATOM 294 CB GLU A 19 66.518 -11.517 -2.878 1.00 0.75 C ATOM 295 CG GLU A 19 65.466 -12.560 -2.496 1.00 1.47 C ATOM 296 CD GLU A 19 65.151 -12.444 -1.003 1.00 2.01 C ATOM 297 OE1 GLU A 19 64.791 -11.359 -0.576 1.00 2.50 O ATOM 298 OE2 GLU A 19 65.276 -13.442 -0.313 1.00 2.64 O ATOM 0 H GLU A 19 68.227 -11.030 -4.486 1.00 0.62 H new ATOM 0 HA GLU A 19 65.336 -11.401 -4.710 1.00 0.64 H new ATOM 0 HB2 GLU A 19 67.494 -11.991 -2.981 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.608 -10.770 -2.089 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.560 -12.410 -3.083 1.00 1.47 H new ATOM 0 HG3 GLU A 19 65.831 -13.561 -2.725 1.00 1.47 H new ATOM 305 N PHE A 20 66.442 -8.501 -3.665 1.00 0.58 N ATOM 306 CA PHE A 20 65.976 -7.109 -3.403 1.00 0.59 C ATOM 307 C PHE A 20 65.689 -6.392 -4.725 1.00 0.53 C ATOM 308 O PHE A 20 64.786 -5.586 -4.821 1.00 0.54 O ATOM 309 CB PHE A 20 67.134 -6.435 -2.667 1.00 0.67 C ATOM 310 CG PHE A 20 66.891 -6.503 -1.179 1.00 1.04 C ATOM 311 CD1 PHE A 20 65.641 -6.147 -0.658 1.00 1.87 C ATOM 312 CD2 PHE A 20 67.914 -6.921 -0.319 1.00 1.85 C ATOM 313 CE1 PHE A 20 65.415 -6.210 0.723 1.00 2.57 C ATOM 314 CE2 PHE A 20 67.687 -6.983 1.061 1.00 2.52 C ATOM 315 CZ PHE A 20 66.437 -6.627 1.581 1.00 2.67 C ATOM 0 H PHE A 20 67.452 -8.638 -3.615 1.00 0.58 H new ATOM 0 HA PHE A 20 65.055 -7.084 -2.821 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.074 -6.928 -2.916 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.225 -5.396 -2.984 1.00 0.67 H new ATOM 0 HD1 PHE A 20 64.852 -5.824 -1.321 1.00 1.87 H new ATOM 0 HD2 PHE A 20 68.878 -7.196 -0.720 1.00 1.85 H new ATOM 0 HE1 PHE A 20 64.451 -5.936 1.125 1.00 2.57 H new ATOM 0 HE2 PHE A 20 68.476 -7.305 1.724 1.00 2.52 H new ATOM 0 HZ PHE A 20 66.262 -6.675 2.646 1.00 2.67 H new ATOM 325 N LYS A 21 66.450 -6.681 -5.745 1.00 0.53 N ATOM 326 CA LYS A 21 66.216 -6.017 -7.059 1.00 0.53 C ATOM 327 C LYS A 21 64.742 -6.131 -7.453 1.00 0.50 C ATOM 328 O LYS A 21 64.108 -5.160 -7.813 1.00 0.63 O ATOM 329 CB LYS A 21 67.098 -6.776 -8.050 1.00 0.61 C ATOM 330 CG LYS A 21 67.021 -6.102 -9.422 1.00 0.68 C ATOM 331 CD LYS A 21 67.693 -6.992 -10.469 1.00 1.26 C ATOM 332 CE LYS A 21 66.735 -7.218 -11.640 1.00 1.85 C ATOM 333 NZ LYS A 21 67.604 -7.641 -12.772 1.00 1.94 N ATOM 0 H LYS A 21 67.222 -7.347 -5.726 1.00 0.53 H new ATOM 0 HA LYS A 21 66.456 -4.954 -7.033 1.00 0.53 H new ATOM 0 HB2 LYS A 21 68.129 -6.791 -7.698 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.771 -7.813 -8.124 1.00 0.61 H new ATOM 0 HG2 LYS A 21 65.980 -5.926 -9.694 1.00 0.68 H new ATOM 0 HG3 LYS A 21 67.511 -5.129 -9.388 1.00 0.68 H new ATOM 0 HD2 LYS A 21 68.612 -6.525 -10.823 1.00 1.26 H new ATOM 0 HD3 LYS A 21 67.972 -7.947 -10.024 1.00 1.26 H new ATOM 0 HE2 LYS A 21 65.995 -7.983 -11.403 1.00 1.85 H new ATOM 0 HE3 LYS A 21 66.186 -6.308 -11.882 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 67.018 -7.815 -13.613 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 68.294 -6.891 -12.980 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 68.109 -8.513 -12.515 1.00 1.94 H new ATOM 347 N ALA A 22 64.191 -7.312 -7.387 1.00 0.51 N ATOM 348 CA ALA A 22 62.757 -7.489 -7.758 1.00 0.60 C ATOM 349 C ALA A 22 61.885 -6.503 -6.975 1.00 0.51 C ATOM 350 O ALA A 22 61.322 -5.581 -7.531 1.00 0.50 O ATOM 351 CB ALA A 22 62.422 -8.929 -7.369 1.00 0.76 C ATOM 0 H ALA A 22 64.671 -8.162 -7.092 1.00 0.51 H new ATOM 0 HA ALA A 22 62.577 -7.302 -8.817 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.380 -9.138 -7.611 1.00 0.76 H new ATOM 0 HB2 ALA A 22 63.067 -9.614 -7.919 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.580 -9.063 -6.299 1.00 0.76 H new ATOM 357 N ALA A 23 61.770 -6.690 -5.688 1.00 0.51 N ATOM 358 CA ALA A 23 60.935 -5.762 -4.873 1.00 0.47 C ATOM 359 C ALA A 23 61.368 -4.314 -5.117 1.00 0.43 C ATOM 360 O ALA A 23 60.596 -3.389 -4.959 1.00 0.46 O ATOM 361 CB ALA A 23 61.198 -6.162 -3.421 1.00 0.58 C ATOM 0 H ALA A 23 62.217 -7.444 -5.167 1.00 0.51 H new ATOM 0 HA ALA A 23 59.877 -5.826 -5.127 1.00 0.47 H new ATOM 0 HB1 ALA A 23 60.617 -5.522 -2.756 1.00 0.58 H new ATOM 0 HB2 ALA A 23 60.906 -7.201 -3.271 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.259 -6.048 -3.199 1.00 0.58 H new ATOM 367 N PHE A 24 62.598 -4.112 -5.504 1.00 0.54 N ATOM 368 CA PHE A 24 63.083 -2.728 -5.760 1.00 0.56 C ATOM 369 C PHE A 24 62.512 -2.205 -7.081 1.00 0.56 C ATOM 370 O PHE A 24 61.862 -1.179 -7.126 1.00 0.60 O ATOM 371 CB PHE A 24 64.603 -2.858 -5.845 1.00 0.66 C ATOM 372 CG PHE A 24 65.204 -1.524 -6.211 1.00 0.60 C ATOM 373 CD1 PHE A 24 65.195 -0.475 -5.285 1.00 1.24 C ATOM 374 CD2 PHE A 24 65.771 -1.338 -7.476 1.00 1.45 C ATOM 375 CE1 PHE A 24 65.754 0.762 -5.625 1.00 1.24 C ATOM 376 CE2 PHE A 24 66.330 -0.101 -7.817 1.00 1.61 C ATOM 377 CZ PHE A 24 66.322 0.950 -6.891 1.00 0.94 C ATOM 0 H PHE A 24 63.288 -4.848 -5.654 1.00 0.54 H new ATOM 0 HA PHE A 24 62.775 -2.028 -4.984 1.00 0.56 H new ATOM 0 HB2 PHE A 24 65.003 -3.199 -4.890 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.873 -3.607 -6.590 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.757 -0.620 -4.309 1.00 1.24 H new ATOM 0 HD2 PHE A 24 65.777 -2.149 -8.189 1.00 1.45 H new ATOM 0 HE1 PHE A 24 65.747 1.572 -4.911 1.00 1.24 H new ATOM 0 HE2 PHE A 24 66.767 0.043 -8.794 1.00 1.61 H new ATOM 0 HZ PHE A 24 66.754 1.905 -7.153 1.00 0.94 H new ATOM 387 N ASP A 25 62.747 -2.906 -8.156 1.00 0.58 N ATOM 388 CA ASP A 25 62.217 -2.452 -9.475 1.00 0.64 C ATOM 389 C ASP A 25 60.689 -2.377 -9.433 1.00 0.66 C ATOM 390 O ASP A 25 60.068 -1.701 -10.229 1.00 0.76 O ATOM 391 CB ASP A 25 62.673 -3.520 -10.470 1.00 0.68 C ATOM 392 CG ASP A 25 62.688 -2.931 -11.881 1.00 1.05 C ATOM 393 OD1 ASP A 25 62.454 -1.740 -12.008 1.00 1.78 O ATOM 394 OD2 ASP A 25 62.933 -3.681 -12.812 1.00 1.58 O ATOM 0 H ASP A 25 63.283 -3.774 -8.179 1.00 0.58 H new ATOM 0 HA ASP A 25 62.576 -1.459 -9.746 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.667 -3.879 -10.204 1.00 0.68 H new ATOM 0 HB3 ASP A 25 62.003 -4.379 -10.430 1.00 0.68 H new ATOM 399 N ILE A 26 60.078 -3.070 -8.510 1.00 0.61 N ATOM 400 CA ILE A 26 58.590 -3.044 -8.416 1.00 0.67 C ATOM 401 C ILE A 26 58.113 -1.758 -7.736 1.00 0.73 C ATOM 402 O ILE A 26 56.943 -1.594 -7.451 1.00 0.99 O ATOM 403 CB ILE A 26 58.234 -4.262 -7.572 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.431 -5.525 -8.411 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.774 -4.168 -7.124 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.865 -6.724 -7.658 1.00 0.84 C ATOM 0 H ILE A 26 60.546 -3.654 -7.816 1.00 0.61 H new ATOM 0 HA ILE A 26 58.115 -3.069 -9.397 1.00 0.67 H new ATOM 0 HB ILE A 26 58.877 -4.300 -6.692 1.00 0.70 H new ATOM 0 HG12 ILE A 26 57.932 -5.417 -9.374 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.491 -5.677 -8.616 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.522 -5.040 -6.521 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.633 -3.264 -6.532 1.00 0.83 H new ATOM 0 HG23 ILE A 26 56.126 -4.133 -8.000 1.00 0.83 H new ATOM 0 HD11 ILE A 26 58.004 -7.626 -8.254 1.00 0.84 H new ATOM 0 HD12 ILE A 26 58.384 -6.834 -6.706 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.802 -6.570 -7.475 1.00 0.84 H new ATOM 418 N PHE A 27 59.006 -0.843 -7.471 1.00 0.57 N ATOM 419 CA PHE A 27 58.593 0.428 -6.810 1.00 0.63 C ATOM 420 C PHE A 27 59.359 1.613 -7.406 1.00 0.59 C ATOM 421 O PHE A 27 59.597 2.606 -6.747 1.00 0.67 O ATOM 422 CB PHE A 27 58.950 0.240 -5.336 1.00 0.70 C ATOM 423 CG PHE A 27 57.819 -0.473 -4.633 1.00 0.67 C ATOM 424 CD1 PHE A 27 57.667 -1.857 -4.778 1.00 1.44 C ATOM 425 CD2 PHE A 27 56.922 0.249 -3.837 1.00 1.17 C ATOM 426 CE1 PHE A 27 56.619 -2.519 -4.128 1.00 1.65 C ATOM 427 CE2 PHE A 27 55.874 -0.413 -3.186 1.00 1.20 C ATOM 428 CZ PHE A 27 55.722 -1.797 -3.333 1.00 1.09 C ATOM 0 H PHE A 27 60.001 -0.920 -7.683 1.00 0.57 H new ATOM 0 HA PHE A 27 57.533 0.640 -6.949 1.00 0.63 H new ATOM 0 HB2 PHE A 27 59.871 -0.336 -5.244 1.00 0.70 H new ATOM 0 HB3 PHE A 27 59.131 1.208 -4.868 1.00 0.70 H new ATOM 0 HD1 PHE A 27 58.359 -2.414 -5.392 1.00 1.44 H new ATOM 0 HD2 PHE A 27 57.038 1.317 -3.725 1.00 1.17 H new ATOM 0 HE1 PHE A 27 56.503 -3.587 -4.240 1.00 1.65 H new ATOM 0 HE2 PHE A 27 55.183 0.144 -2.571 1.00 1.20 H new ATOM 0 HZ PHE A 27 54.912 -2.307 -2.833 1.00 1.09 H new ATOM 438 N VAL A 28 59.744 1.518 -8.650 1.00 0.58 N ATOM 439 CA VAL A 28 60.491 2.640 -9.289 1.00 0.59 C ATOM 440 C VAL A 28 59.594 3.355 -10.303 1.00 0.64 C ATOM 441 O VAL A 28 60.062 3.947 -11.256 1.00 0.73 O ATOM 442 CB VAL A 28 61.675 1.980 -9.995 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.483 3.042 -10.742 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.570 1.297 -8.958 1.00 1.37 C ATOM 0 H VAL A 28 59.574 0.712 -9.252 1.00 0.58 H new ATOM 0 HA VAL A 28 60.816 3.387 -8.564 1.00 0.59 H new ATOM 0 HB VAL A 28 61.306 1.239 -10.704 1.00 0.60 H new ATOM 0 HG11 VAL A 28 63.327 2.570 -11.245 1.00 1.41 H new ATOM 0 HG12 VAL A 28 61.847 3.530 -11.481 1.00 1.41 H new ATOM 0 HG13 VAL A 28 62.852 3.784 -10.034 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.415 0.826 -9.460 1.00 1.37 H new ATOM 0 HG22 VAL A 28 62.937 2.039 -8.249 1.00 1.37 H new ATOM 0 HG23 VAL A 28 61.996 0.539 -8.425 1.00 1.37 H new ATOM 454 N LEU A 29 58.305 3.301 -10.106 1.00 0.75 N ATOM 455 CA LEU A 29 57.373 3.974 -11.056 1.00 0.91 C ATOM 456 C LEU A 29 57.912 5.355 -11.435 1.00 1.10 C ATOM 457 O LEU A 29 57.787 6.307 -10.693 1.00 1.54 O ATOM 458 CB LEU A 29 56.053 4.103 -10.294 1.00 1.17 C ATOM 459 CG LEU A 29 56.323 4.657 -8.895 1.00 1.49 C ATOM 460 CD1 LEU A 29 55.287 5.732 -8.563 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.225 3.522 -7.872 1.00 1.73 C ATOM 0 H LEU A 29 57.856 2.819 -9.327 1.00 0.75 H new ATOM 0 HA LEU A 29 57.254 3.414 -11.984 1.00 0.91 H new ATOM 0 HB2 LEU A 29 55.373 4.763 -10.833 1.00 1.17 H new ATOM 0 HB3 LEU A 29 55.565 3.131 -10.224 1.00 1.17 H new ATOM 0 HG LEU A 29 57.321 5.093 -8.862 1.00 1.49 H new ATOM 0 HD11 LEU A 29 55.479 6.127 -7.565 1.00 2.09 H new ATOM 0 HD12 LEU A 29 55.354 6.539 -9.292 1.00 2.09 H new ATOM 0 HD13 LEU A 29 54.288 5.297 -8.594 1.00 2.09 H new ATOM 0 HD21 LEU A 29 56.417 3.915 -6.873 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.226 3.088 -7.905 1.00 1.73 H new ATOM 0 HD23 LEU A 29 56.962 2.755 -8.108 1.00 1.73 H new ATOM 473 N GLY A 30 58.517 5.467 -12.585 1.00 1.47 N ATOM 474 CA GLY A 30 59.068 6.782 -13.012 1.00 1.89 C ATOM 475 C GLY A 30 60.494 6.928 -12.482 1.00 1.94 C ATOM 476 O GLY A 30 61.381 6.178 -12.843 1.00 2.46 O ATOM 0 H GLY A 30 58.653 4.704 -13.248 1.00 1.47 H new ATOM 0 HA2 GLY A 30 59.063 6.856 -14.099 1.00 1.89 H new ATOM 0 HA3 GLY A 30 58.443 7.591 -12.635 1.00 1.89 H new ATOM 480 N ALA A 31 60.726 7.884 -11.625 1.00 1.89 N ATOM 481 CA ALA A 31 62.096 8.072 -11.073 1.00 2.14 C ATOM 482 C ALA A 31 63.093 8.314 -12.207 1.00 2.28 C ATOM 483 O ALA A 31 62.869 7.932 -13.338 1.00 2.46 O ATOM 484 CB ALA A 31 62.413 6.763 -10.349 1.00 1.97 C ATOM 0 H ALA A 31 60.026 8.543 -11.284 1.00 1.89 H new ATOM 0 HA ALA A 31 62.159 8.932 -10.406 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.410 6.821 -9.912 1.00 1.97 H new ATOM 0 HB2 ALA A 31 61.680 6.597 -9.559 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.375 5.936 -11.058 1.00 1.97 H new ATOM 490 N GLU A 32 64.190 8.951 -11.910 1.00 2.73 N ATOM 491 CA GLU A 32 65.207 9.224 -12.965 1.00 2.98 C ATOM 492 C GLU A 32 65.381 8.000 -13.870 1.00 2.33 C ATOM 493 O GLU A 32 65.567 8.122 -15.065 1.00 2.34 O ATOM 494 CB GLU A 32 66.499 9.515 -12.202 1.00 3.71 C ATOM 495 CG GLU A 32 66.377 10.864 -11.491 1.00 4.48 C ATOM 496 CD GLU A 32 66.016 10.638 -10.023 1.00 5.14 C ATOM 497 OE1 GLU A 32 66.892 10.244 -9.271 1.00 5.38 O ATOM 498 OE2 GLU A 32 64.868 10.863 -9.674 1.00 5.71 O ATOM 0 H GLU A 32 64.428 9.296 -10.980 1.00 2.73 H new ATOM 0 HA GLU A 32 64.917 10.053 -13.611 1.00 2.98 H new ATOM 0 HB2 GLU A 32 66.691 8.725 -11.476 1.00 3.71 H new ATOM 0 HB3 GLU A 32 67.345 9.529 -12.889 1.00 3.71 H new ATOM 0 HG2 GLU A 32 67.316 11.412 -11.565 1.00 4.48 H new ATOM 0 HG3 GLU A 32 65.614 11.474 -11.974 1.00 4.48 H new ATOM 505 N ASP A 33 65.320 6.821 -13.313 1.00 2.13 N ATOM 506 CA ASP A 33 65.480 5.595 -14.148 1.00 2.25 C ATOM 507 C ASP A 33 65.261 4.339 -13.299 1.00 1.67 C ATOM 508 O ASP A 33 64.262 3.659 -13.428 1.00 2.00 O ATOM 509 CB ASP A 33 66.920 5.650 -14.662 1.00 3.20 C ATOM 510 CG ASP A 33 66.952 5.237 -16.135 1.00 3.87 C ATOM 511 OD1 ASP A 33 67.014 4.048 -16.395 1.00 4.49 O ATOM 512 OD2 ASP A 33 66.911 6.118 -16.978 1.00 4.16 O ATOM 0 H ASP A 33 65.167 6.653 -12.319 1.00 2.13 H new ATOM 0 HA ASP A 33 64.757 5.556 -14.962 1.00 2.25 H new ATOM 0 HB2 ASP A 33 67.320 6.657 -14.547 1.00 3.20 H new ATOM 0 HB3 ASP A 33 67.553 4.986 -14.073 1.00 3.20 H new ATOM 517 N GLY A 34 66.187 4.024 -12.434 1.00 1.10 N ATOM 518 CA GLY A 34 66.028 2.811 -11.583 1.00 1.18 C ATOM 519 C GLY A 34 66.117 3.205 -10.107 1.00 0.92 C ATOM 520 O GLY A 34 66.812 2.583 -9.329 1.00 1.03 O ATOM 0 H GLY A 34 67.045 4.553 -12.280 1.00 1.10 H new ATOM 0 HA2 GLY A 34 65.068 2.335 -11.786 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.802 2.082 -11.823 1.00 1.18 H new ATOM 524 N CYS A 35 65.416 4.234 -9.716 1.00 0.78 N ATOM 525 CA CYS A 35 65.457 4.665 -8.290 1.00 0.68 C ATOM 526 C CYS A 35 64.038 4.744 -7.723 1.00 0.69 C ATOM 527 O CYS A 35 63.101 5.093 -8.414 1.00 0.89 O ATOM 528 CB CYS A 35 66.105 6.049 -8.313 1.00 0.78 C ATOM 529 SG CYS A 35 65.257 7.094 -9.524 1.00 1.27 S ATOM 0 H CYS A 35 64.817 4.795 -10.322 1.00 0.78 H new ATOM 0 HA CYS A 35 66.011 3.968 -7.662 1.00 0.68 H new ATOM 0 HB2 CYS A 35 66.051 6.504 -7.324 1.00 0.78 H new ATOM 0 HB3 CYS A 35 67.161 5.963 -8.567 1.00 0.78 H new ATOM 0 HG CYS A 35 64.276 7.721 -8.945 1.00 1.27 H new ATOM 535 N ILE A 36 63.870 4.420 -6.471 1.00 0.57 N ATOM 536 CA ILE A 36 62.510 4.474 -5.862 1.00 0.57 C ATOM 537 C ILE A 36 62.355 5.749 -5.027 1.00 0.50 C ATOM 538 O ILE A 36 63.300 6.481 -4.812 1.00 0.60 O ATOM 539 CB ILE A 36 62.428 3.236 -4.972 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.407 3.383 -3.804 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.792 1.995 -5.788 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.206 2.230 -2.820 1.00 0.75 C ATOM 0 H ILE A 36 64.615 4.120 -5.843 1.00 0.57 H new ATOM 0 HA ILE A 36 61.720 4.489 -6.613 1.00 0.57 H new ATOM 0 HB ILE A 36 61.414 3.132 -4.587 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.432 3.385 -4.174 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.248 4.337 -3.300 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.733 1.111 -5.152 1.00 0.72 H new ATOM 0 HG22 ILE A 36 62.096 1.890 -6.620 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.806 2.098 -6.174 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.903 2.335 -1.989 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.184 2.249 -2.441 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.387 1.283 -3.328 1.00 0.75 H new ATOM 554 N SER A 37 61.169 6.018 -4.554 1.00 0.54 N ATOM 555 CA SER A 37 60.954 7.245 -3.733 1.00 0.50 C ATOM 556 C SER A 37 61.239 6.950 -2.258 1.00 0.48 C ATOM 557 O SER A 37 60.761 5.979 -1.706 1.00 0.60 O ATOM 558 CB SER A 37 59.482 7.602 -3.933 1.00 0.55 C ATOM 559 OG SER A 37 59.379 8.650 -4.888 1.00 1.02 O ATOM 0 H SER A 37 60.340 5.442 -4.700 1.00 0.54 H new ATOM 0 HA SER A 37 61.615 8.060 -4.027 1.00 0.50 H new ATOM 0 HB2 SER A 37 58.927 6.728 -4.274 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.039 7.912 -2.987 1.00 0.55 H new ATOM 0 HG SER A 37 58.436 8.881 -5.020 1.00 1.02 H new ATOM 565 N THR A 38 62.013 7.781 -1.615 1.00 0.48 N ATOM 566 CA THR A 38 62.324 7.545 -0.175 1.00 0.53 C ATOM 567 C THR A 38 61.031 7.351 0.619 1.00 0.53 C ATOM 568 O THR A 38 61.000 6.654 1.614 1.00 0.59 O ATOM 569 CB THR A 38 63.051 8.810 0.284 1.00 0.64 C ATOM 570 OG1 THR A 38 62.372 9.952 -0.219 1.00 0.62 O ATOM 571 CG2 THR A 38 64.487 8.795 -0.241 1.00 0.85 C ATOM 0 H THR A 38 62.443 8.611 -2.023 1.00 0.48 H new ATOM 0 HA THR A 38 62.927 6.650 -0.023 1.00 0.53 H new ATOM 0 HB THR A 38 63.066 8.846 1.373 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.752 10.203 -1.087 1.00 0.62 H new ATOM 0 HG21 THR A 38 65.004 9.697 0.087 1.00 0.85 H new ATOM 0 HG22 THR A 38 65.007 7.918 0.146 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.476 8.759 -1.330 1.00 0.85 H new ATOM 579 N LYS A 39 59.962 7.962 0.187 1.00 0.60 N ATOM 580 CA LYS A 39 58.670 7.813 0.916 1.00 0.73 C ATOM 581 C LYS A 39 58.098 6.409 0.698 1.00 0.66 C ATOM 582 O LYS A 39 57.346 5.902 1.506 1.00 0.87 O ATOM 583 CB LYS A 39 57.747 8.869 0.308 1.00 0.90 C ATOM 584 CG LYS A 39 56.632 9.208 1.299 1.00 1.78 C ATOM 585 CD LYS A 39 56.827 10.633 1.819 1.00 2.12 C ATOM 586 CE LYS A 39 57.878 10.631 2.932 1.00 2.70 C ATOM 587 NZ LYS A 39 57.164 10.140 4.146 1.00 2.96 N ATOM 0 H LYS A 39 59.927 8.558 -0.640 1.00 0.60 H new ATOM 0 HA LYS A 39 58.786 7.945 1.992 1.00 0.73 H new ATOM 0 HB2 LYS A 39 58.316 9.766 0.064 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.319 8.499 -0.624 1.00 0.90 H new ATOM 0 HG2 LYS A 39 55.660 9.116 0.814 1.00 1.78 H new ATOM 0 HG3 LYS A 39 56.642 8.502 2.129 1.00 1.78 H new ATOM 0 HD2 LYS A 39 57.143 11.288 1.007 1.00 2.12 H new ATOM 0 HD3 LYS A 39 55.883 11.026 2.196 1.00 2.12 H new ATOM 0 HE2 LYS A 39 58.717 9.982 2.680 1.00 2.70 H new ATOM 0 HE3 LYS A 39 58.284 11.630 3.091 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 57.112 10.903 4.851 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 56.202 9.843 3.886 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 57.679 9.331 4.548 1.00 2.96 H new ATOM 601 N GLU A 40 58.452 5.778 -0.389 1.00 0.52 N ATOM 602 CA GLU A 40 57.929 4.408 -0.656 1.00 0.56 C ATOM 603 C GLU A 40 58.918 3.357 -0.141 1.00 0.52 C ATOM 604 O GLU A 40 58.536 2.284 0.278 1.00 0.59 O ATOM 605 CB GLU A 40 57.797 4.325 -2.177 1.00 0.71 C ATOM 606 CG GLU A 40 56.635 5.209 -2.637 1.00 1.06 C ATOM 607 CD GLU A 40 56.046 4.648 -3.932 1.00 1.41 C ATOM 608 OE1 GLU A 40 55.230 3.745 -3.846 1.00 1.60 O ATOM 609 OE2 GLU A 40 56.420 5.132 -4.988 1.00 2.23 O ATOM 0 H GLU A 40 59.079 6.151 -1.102 1.00 0.52 H new ATOM 0 HA GLU A 40 56.979 4.221 -0.155 1.00 0.56 H new ATOM 0 HB2 GLU A 40 58.724 4.648 -2.651 1.00 0.71 H new ATOM 0 HB3 GLU A 40 57.626 3.293 -2.482 1.00 0.71 H new ATOM 0 HG2 GLU A 40 55.868 5.250 -1.864 1.00 1.06 H new ATOM 0 HG3 GLU A 40 56.982 6.230 -2.796 1.00 1.06 H new ATOM 616 N LEU A 41 60.187 3.661 -0.167 1.00 0.51 N ATOM 617 CA LEU A 41 61.198 2.683 0.327 1.00 0.54 C ATOM 618 C LEU A 41 60.740 2.079 1.657 1.00 0.56 C ATOM 619 O LEU A 41 61.017 0.936 1.959 1.00 0.70 O ATOM 620 CB LEU A 41 62.476 3.500 0.520 1.00 0.62 C ATOM 621 CG LEU A 41 63.482 2.691 1.339 1.00 0.64 C ATOM 622 CD1 LEU A 41 64.902 3.126 0.974 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.240 2.937 2.830 1.00 1.40 C ATOM 0 H LEU A 41 60.567 4.544 -0.509 1.00 0.51 H new ATOM 0 HA LEU A 41 61.345 1.854 -0.365 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.904 3.759 -0.448 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.248 4.437 1.028 1.00 0.62 H new ATOM 0 HG LEU A 41 63.360 1.630 1.121 1.00 0.64 H new ATOM 0 HD11 LEU A 41 65.620 2.550 1.557 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.074 2.952 -0.088 1.00 1.18 H new ATOM 0 HD13 LEU A 41 65.025 4.187 1.192 1.00 1.18 H new ATOM 0 HD21 LEU A 41 63.957 2.361 3.415 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.363 3.998 3.048 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.228 2.628 3.090 1.00 1.40 H new ATOM 635 N GLY A 42 60.038 2.839 2.454 1.00 0.57 N ATOM 636 CA GLY A 42 59.561 2.305 3.761 1.00 0.60 C ATOM 637 C GLY A 42 58.754 1.029 3.524 1.00 0.55 C ATOM 638 O GLY A 42 59.164 -0.055 3.889 1.00 0.57 O ATOM 0 H GLY A 42 59.775 3.805 2.257 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.410 2.096 4.412 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.946 3.049 4.268 1.00 0.60 H new ATOM 642 N LYS A 43 57.608 1.147 2.909 1.00 0.57 N ATOM 643 CA LYS A 43 56.777 -0.063 2.644 1.00 0.58 C ATOM 644 C LYS A 43 57.637 -1.160 2.011 1.00 0.56 C ATOM 645 O LYS A 43 57.416 -2.336 2.220 1.00 0.60 O ATOM 646 CB LYS A 43 55.699 0.403 1.666 1.00 0.65 C ATOM 647 CG LYS A 43 54.334 0.377 2.356 1.00 0.99 C ATOM 648 CD LYS A 43 54.223 1.565 3.313 1.00 1.28 C ATOM 649 CE LYS A 43 52.846 2.214 3.165 1.00 1.53 C ATOM 650 NZ LYS A 43 52.925 3.470 3.960 1.00 1.86 N ATOM 0 H LYS A 43 57.212 2.027 2.579 1.00 0.57 H new ATOM 0 HA LYS A 43 56.347 -0.479 3.555 1.00 0.58 H new ATOM 0 HB2 LYS A 43 55.922 1.411 1.317 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.686 -0.243 0.788 1.00 0.65 H new ATOM 0 HG2 LYS A 43 53.538 0.420 1.613 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.209 -0.557 2.903 1.00 0.99 H new ATOM 0 HD2 LYS A 43 54.371 1.233 4.340 1.00 1.28 H new ATOM 0 HD3 LYS A 43 55.005 2.293 3.097 1.00 1.28 H new ATOM 0 HE2 LYS A 43 52.618 2.422 2.120 1.00 1.53 H new ATOM 0 HE3 LYS A 43 52.059 1.559 3.539 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 52.016 3.972 3.907 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 53.136 3.240 4.952 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 53.678 4.076 3.577 1.00 1.86 H new ATOM 664 N VAL A 44 58.617 -0.781 1.238 1.00 0.54 N ATOM 665 CA VAL A 44 59.493 -1.797 0.590 1.00 0.56 C ATOM 666 C VAL A 44 60.317 -2.534 1.652 1.00 0.59 C ATOM 667 O VAL A 44 60.418 -3.745 1.641 1.00 0.57 O ATOM 668 CB VAL A 44 60.400 -0.988 -0.343 1.00 0.59 C ATOM 669 CG1 VAL A 44 61.658 -1.793 -0.674 1.00 1.36 C ATOM 670 CG2 VAL A 44 59.647 -0.672 -1.636 1.00 1.36 C ATOM 0 H VAL A 44 58.849 0.190 1.027 1.00 0.54 H new ATOM 0 HA VAL A 44 58.929 -2.557 0.049 1.00 0.56 H new ATOM 0 HB VAL A 44 60.687 -0.061 0.153 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.298 -1.211 -1.338 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.198 -2.018 0.246 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.375 -2.724 -1.166 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.291 -0.096 -2.301 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.359 -1.602 -2.126 1.00 1.36 H new ATOM 0 HG23 VAL A 44 58.754 -0.092 -1.404 1.00 1.36 H new ATOM 680 N MET A 45 60.905 -1.813 2.567 1.00 0.74 N ATOM 681 CA MET A 45 61.720 -2.474 3.626 1.00 0.84 C ATOM 682 C MET A 45 60.845 -3.419 4.454 1.00 0.86 C ATOM 683 O MET A 45 61.286 -4.462 4.897 1.00 0.89 O ATOM 684 CB MET A 45 62.245 -1.330 4.493 1.00 0.96 C ATOM 685 CG MET A 45 63.309 -0.550 3.719 1.00 1.12 C ATOM 686 SD MET A 45 64.891 -1.424 3.819 1.00 1.48 S ATOM 687 CE MET A 45 65.688 -0.312 5.003 1.00 0.73 C ATOM 0 H MET A 45 60.857 -0.796 2.627 1.00 0.74 H new ATOM 0 HA MET A 45 62.529 -3.074 3.210 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.426 -0.668 4.775 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.668 -1.724 5.417 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.008 -0.439 2.677 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.410 0.454 4.130 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.678 -0.040 4.637 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.085 0.588 5.120 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.782 -0.813 5.966 1.00 0.73 H new ATOM 697 N ARG A 46 59.607 -3.063 4.666 1.00 0.94 N ATOM 698 CA ARG A 46 58.705 -3.942 5.465 1.00 1.04 C ATOM 699 C ARG A 46 58.129 -5.049 4.580 1.00 1.00 C ATOM 700 O ARG A 46 57.530 -5.991 5.057 1.00 1.04 O ATOM 701 CB ARG A 46 57.592 -3.019 5.962 1.00 1.21 C ATOM 702 CG ARG A 46 58.204 -1.725 6.503 1.00 1.04 C ATOM 703 CD ARG A 46 57.436 -1.278 7.749 1.00 1.77 C ATOM 704 NE ARG A 46 58.184 -0.095 8.256 1.00 2.29 N ATOM 705 CZ ARG A 46 57.629 1.086 8.237 1.00 2.76 C ATOM 706 NH1 ARG A 46 56.546 1.309 8.929 1.00 3.45 N ATOM 707 NH2 ARG A 46 58.157 2.044 7.525 1.00 3.10 N ATOM 0 H ARG A 46 59.181 -2.203 4.321 1.00 0.94 H new ATOM 0 HA ARG A 46 59.226 -4.431 6.288 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.901 -2.795 5.149 1.00 1.21 H new ATOM 0 HB3 ARG A 46 57.015 -3.515 6.743 1.00 1.21 H new ATOM 0 HG2 ARG A 46 59.255 -1.882 6.747 1.00 1.04 H new ATOM 0 HG3 ARG A 46 58.167 -0.946 5.741 1.00 1.04 H new ATOM 0 HD2 ARG A 46 56.405 -1.019 7.506 1.00 1.77 H new ATOM 0 HD3 ARG A 46 57.398 -2.071 8.496 1.00 1.77 H new ATOM 0 HE ARG A 46 59.131 -0.208 8.618 1.00 2.29 H new ATOM 0 HH11 ARG A 46 56.133 0.560 9.485 1.00 3.45 H new ATOM 0 HH12 ARG A 46 56.112 2.232 8.914 1.00 3.45 H new ATOM 0 HH21 ARG A 46 59.004 1.870 6.983 1.00 3.10 H new ATOM 0 HH22 ARG A 46 57.723 2.967 7.510 1.00 3.10 H new ATOM 721 N MET A 47 58.307 -4.940 3.291 1.00 0.98 N ATOM 722 CA MET A 47 57.771 -5.985 2.374 1.00 1.04 C ATOM 723 C MET A 47 58.670 -7.224 2.398 1.00 0.99 C ATOM 724 O MET A 47 58.233 -8.326 2.133 1.00 1.07 O ATOM 725 CB MET A 47 57.784 -5.340 0.987 1.00 1.19 C ATOM 726 CG MET A 47 56.416 -4.722 0.699 1.00 1.37 C ATOM 727 SD MET A 47 56.469 -3.851 -0.887 1.00 1.89 S ATOM 728 CE MET A 47 56.160 -5.286 -1.946 1.00 1.30 C ATOM 0 H MET A 47 58.800 -4.173 2.834 1.00 0.98 H new ATOM 0 HA MET A 47 56.772 -6.313 2.662 1.00 1.04 H new ATOM 0 HB2 MET A 47 58.558 -4.574 0.938 1.00 1.19 H new ATOM 0 HB3 MET A 47 58.025 -6.086 0.230 1.00 1.19 H new ATOM 0 HG2 MET A 47 55.652 -5.499 0.674 1.00 1.37 H new ATOM 0 HG3 MET A 47 56.142 -4.031 1.496 1.00 1.37 H new ATOM 0 HE1 MET A 47 56.801 -5.233 -2.826 1.00 1.30 H new ATOM 0 HE2 MET A 47 56.377 -6.200 -1.393 1.00 1.30 H new ATOM 0 HE3 MET A 47 55.116 -5.290 -2.258 1.00 1.30 H new ATOM 738 N LEU A 48 59.924 -7.052 2.715 1.00 0.93 N ATOM 739 CA LEU A 48 60.849 -8.221 2.755 1.00 0.98 C ATOM 740 C LEU A 48 61.086 -8.659 4.203 1.00 1.32 C ATOM 741 O LEU A 48 61.457 -9.786 4.466 1.00 1.80 O ATOM 742 CB LEU A 48 62.149 -7.719 2.127 1.00 1.21 C ATOM 743 CG LEU A 48 62.154 -8.045 0.633 1.00 1.28 C ATOM 744 CD1 LEU A 48 61.742 -6.805 -0.162 1.00 2.11 C ATOM 745 CD2 LEU A 48 63.560 -8.477 0.211 1.00 1.86 C ATOM 0 H LEU A 48 60.348 -6.154 2.948 1.00 0.93 H new ATOM 0 HA LEU A 48 60.447 -9.084 2.224 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.245 -6.643 2.275 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.005 -8.186 2.615 1.00 1.21 H new ATOM 0 HG LEU A 48 61.450 -8.853 0.435 1.00 1.28 H new ATOM 0 HD11 LEU A 48 61.746 -7.038 -1.227 1.00 2.11 H new ATOM 0 HD12 LEU A 48 60.741 -6.496 0.138 1.00 2.11 H new ATOM 0 HD13 LEU A 48 62.446 -5.996 0.035 1.00 2.11 H new ATOM 0 HD21 LEU A 48 63.565 -8.710 -0.854 1.00 1.86 H new ATOM 0 HD22 LEU A 48 64.264 -7.669 0.409 1.00 1.86 H new ATOM 0 HD23 LEU A 48 63.854 -9.361 0.777 1.00 1.86 H new ATOM 757 N GLY A 49 60.873 -7.780 5.143 1.00 1.36 N ATOM 758 CA GLY A 49 61.086 -8.151 6.571 1.00 1.95 C ATOM 759 C GLY A 49 61.627 -6.946 7.343 1.00 1.43 C ATOM 760 O GLY A 49 61.303 -6.738 8.494 1.00 1.92 O ATOM 0 H GLY A 49 60.561 -6.822 4.985 1.00 1.36 H new ATOM 0 HA2 GLY A 49 60.148 -8.487 7.013 1.00 1.95 H new ATOM 0 HA3 GLY A 49 61.787 -8.983 6.640 1.00 1.95 H new ATOM 764 N GLN A 50 62.453 -6.151 6.718 1.00 1.21 N ATOM 765 CA GLN A 50 63.015 -4.960 7.420 1.00 1.01 C ATOM 766 C GLN A 50 61.882 -4.076 7.950 1.00 1.02 C ATOM 767 O GLN A 50 61.001 -3.673 7.218 1.00 1.23 O ATOM 768 CB GLN A 50 63.823 -4.217 6.355 1.00 1.43 C ATOM 769 CG GLN A 50 65.301 -4.594 6.481 1.00 1.58 C ATOM 770 CD GLN A 50 65.490 -6.059 6.083 1.00 2.45 C ATOM 771 OE1 GLN A 50 65.138 -6.999 6.916 1.00 3.08 O flip ATOM 772 NE2 GLN A 50 65.965 -6.350 5.002 1.00 3.14 N flip ATOM 0 H GLN A 50 62.763 -6.274 5.754 1.00 1.21 H new ATOM 0 HA GLN A 50 63.629 -5.237 8.277 1.00 1.01 H new ATOM 0 HB2 GLN A 50 63.455 -4.471 5.361 1.00 1.43 H new ATOM 0 HB3 GLN A 50 63.700 -3.141 6.475 1.00 1.43 H new ATOM 0 HG2 GLN A 50 65.907 -3.952 5.842 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.641 -4.437 7.505 1.00 1.58 H new ATOM 0 HE21 GLN A 50 66.240 -5.614 4.351 1.00 3.14 H new ATOM 0 HE22 GLN A 50 66.088 -7.330 4.746 1.00 3.14 H new ATOM 781 N ASN A 51 61.899 -3.771 9.220 1.00 0.98 N ATOM 782 CA ASN A 51 60.822 -2.915 9.796 1.00 1.08 C ATOM 783 C ASN A 51 61.430 -1.701 10.504 1.00 0.93 C ATOM 784 O ASN A 51 61.237 -1.510 11.688 1.00 1.15 O ATOM 785 CB ASN A 51 60.098 -3.812 10.800 1.00 1.52 C ATOM 786 CG ASN A 51 59.603 -5.076 10.093 1.00 1.82 C ATOM 787 OD1 ASN A 51 59.890 -6.176 10.520 1.00 2.25 O ATOM 788 ND2 ASN A 51 58.864 -4.965 9.022 1.00 2.47 N ATOM 0 H ASN A 51 62.611 -4.077 9.883 1.00 0.98 H new ATOM 0 HA ASN A 51 60.148 -2.531 9.031 1.00 1.08 H new ATOM 0 HB2 ASN A 51 60.770 -4.079 11.616 1.00 1.52 H new ATOM 0 HB3 ASN A 51 59.257 -3.277 11.241 1.00 1.52 H new ATOM 0 HD21 ASN A 51 58.528 -5.802 8.545 1.00 2.47 H new ATOM 0 HD22 ASN A 51 58.622 -4.042 8.663 1.00 2.47 H new ATOM 795 N PRO A 52 62.150 -0.917 9.747 1.00 0.72 N ATOM 796 CA PRO A 52 62.799 0.297 10.302 1.00 0.80 C ATOM 797 C PRO A 52 61.756 1.387 10.568 1.00 0.80 C ATOM 798 O PRO A 52 60.568 1.134 10.581 1.00 0.80 O ATOM 799 CB PRO A 52 63.761 0.724 9.197 1.00 0.85 C ATOM 800 CG PRO A 52 63.182 0.161 7.938 1.00 0.79 C ATOM 801 CD PRO A 52 62.425 -1.087 8.316 1.00 0.71 C ATOM 0 HA PRO A 52 63.301 0.119 11.253 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.842 1.810 9.143 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.764 0.338 9.377 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.519 0.884 7.462 1.00 0.79 H new ATOM 0 HG3 PRO A 52 63.970 -0.069 7.221 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.504 -1.184 7.742 1.00 0.71 H new ATOM 0 HD3 PRO A 52 63.015 -1.984 8.127 1.00 0.71 H new ATOM 809 N THR A 53 62.192 2.599 10.782 1.00 0.87 N ATOM 810 CA THR A 53 61.226 3.704 11.047 1.00 0.92 C ATOM 811 C THR A 53 61.472 4.867 10.081 1.00 0.82 C ATOM 812 O THR A 53 62.566 5.041 9.583 1.00 0.76 O ATOM 813 CB THR A 53 61.505 4.138 12.488 1.00 1.08 C ATOM 814 OG1 THR A 53 60.878 5.390 12.732 1.00 1.26 O ATOM 815 CG2 THR A 53 63.013 4.270 12.702 1.00 1.54 C ATOM 0 H THR A 53 63.175 2.872 10.785 1.00 0.87 H new ATOM 0 HA THR A 53 60.192 3.389 10.908 1.00 0.92 H new ATOM 0 HB THR A 53 61.109 3.391 13.176 1.00 1.08 H new ATOM 0 HG1 THR A 53 60.124 5.264 13.346 1.00 1.26 H new ATOM 0 HG21 THR A 53 63.209 4.579 13.729 1.00 1.54 H new ATOM 0 HG22 THR A 53 63.493 3.309 12.514 1.00 1.54 H new ATOM 0 HG23 THR A 53 63.414 5.016 12.016 1.00 1.54 H new ATOM 823 N PRO A 54 60.434 5.624 9.849 1.00 0.82 N ATOM 824 CA PRO A 54 60.526 6.787 8.933 1.00 0.75 C ATOM 825 C PRO A 54 61.305 7.930 9.589 1.00 0.73 C ATOM 826 O PRO A 54 61.685 8.886 8.943 1.00 0.69 O ATOM 827 CB PRO A 54 59.069 7.182 8.710 1.00 0.83 C ATOM 828 CG PRO A 54 58.342 6.678 9.917 1.00 0.94 C ATOM 829 CD PRO A 54 59.090 5.468 10.415 1.00 0.93 C ATOM 0 HA PRO A 54 61.050 6.559 8.005 1.00 0.75 H new ATOM 0 HB2 PRO A 54 58.964 8.262 8.609 1.00 0.83 H new ATOM 0 HB3 PRO A 54 58.675 6.736 7.797 1.00 0.83 H new ATOM 0 HG2 PRO A 54 58.297 7.447 10.688 1.00 0.94 H new ATOM 0 HG3 PRO A 54 57.314 6.418 9.666 1.00 0.94 H new ATOM 0 HD2 PRO A 54 59.117 5.436 11.504 1.00 0.93 H new ATOM 0 HD3 PRO A 54 58.621 4.543 10.080 1.00 0.93 H new ATOM 837 N GLU A 55 61.545 7.841 10.870 1.00 0.85 N ATOM 838 CA GLU A 55 62.299 8.925 11.563 1.00 0.87 C ATOM 839 C GLU A 55 63.802 8.765 11.323 1.00 0.84 C ATOM 840 O GLU A 55 64.526 9.732 11.188 1.00 0.82 O ATOM 841 CB GLU A 55 61.971 8.750 13.047 1.00 1.02 C ATOM 842 CG GLU A 55 62.461 9.972 13.826 1.00 1.48 C ATOM 843 CD GLU A 55 63.213 9.513 15.077 1.00 2.02 C ATOM 844 OE1 GLU A 55 63.098 8.348 15.419 1.00 2.53 O ATOM 845 OE2 GLU A 55 63.889 10.335 15.672 1.00 2.57 O ATOM 0 H GLU A 55 61.252 7.066 11.465 1.00 0.85 H new ATOM 0 HA GLU A 55 62.025 9.915 11.198 1.00 0.87 H new ATOM 0 HB2 GLU A 55 60.896 8.627 13.181 1.00 1.02 H new ATOM 0 HB3 GLU A 55 62.445 7.847 13.431 1.00 1.02 H new ATOM 0 HG2 GLU A 55 63.114 10.578 13.198 1.00 1.48 H new ATOM 0 HG3 GLU A 55 61.616 10.600 14.107 1.00 1.48 H new ATOM 852 N GLU A 56 64.279 7.551 11.271 1.00 0.88 N ATOM 853 CA GLU A 56 65.735 7.329 11.042 1.00 0.91 C ATOM 854 C GLU A 56 66.031 7.248 9.541 1.00 0.80 C ATOM 855 O GLU A 56 67.060 7.699 9.077 1.00 0.81 O ATOM 856 CB GLU A 56 66.044 5.996 11.721 1.00 1.00 C ATOM 857 CG GLU A 56 66.873 6.243 12.984 1.00 1.44 C ATOM 858 CD GLU A 56 68.265 6.741 12.592 1.00 1.39 C ATOM 859 OE1 GLU A 56 68.792 6.252 11.606 1.00 2.00 O ATOM 860 OE2 GLU A 56 68.781 7.602 13.285 1.00 1.79 O ATOM 0 H GLU A 56 63.723 6.703 11.377 1.00 0.88 H new ATOM 0 HA GLU A 56 66.343 8.141 11.441 1.00 0.91 H new ATOM 0 HB2 GLU A 56 65.117 5.483 11.977 1.00 1.00 H new ATOM 0 HB3 GLU A 56 66.590 5.346 11.037 1.00 1.00 H new ATOM 0 HG2 GLU A 56 66.378 6.978 13.619 1.00 1.44 H new ATOM 0 HG3 GLU A 56 66.954 5.324 13.564 1.00 1.44 H new ATOM 867 N LEU A 57 65.140 6.676 8.779 1.00 0.75 N ATOM 868 CA LEU A 57 65.373 6.567 7.310 1.00 0.70 C ATOM 869 C LEU A 57 65.584 7.957 6.702 1.00 0.67 C ATOM 870 O LEU A 57 66.407 8.145 5.829 1.00 0.71 O ATOM 871 CB LEU A 57 64.103 5.925 6.753 1.00 0.69 C ATOM 872 CG LEU A 57 64.382 4.463 6.399 1.00 1.00 C ATOM 873 CD1 LEU A 57 64.818 3.707 7.654 1.00 1.51 C ATOM 874 CD2 LEU A 57 63.110 3.825 5.836 1.00 1.41 C ATOM 0 H LEU A 57 64.260 6.279 9.109 1.00 0.75 H new ATOM 0 HA LEU A 57 66.262 5.981 7.076 1.00 0.70 H new ATOM 0 HB2 LEU A 57 63.300 5.985 7.488 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.767 6.466 5.869 1.00 0.69 H new ATOM 0 HG LEU A 57 65.175 4.415 5.653 1.00 1.00 H new ATOM 0 HD11 LEU A 57 65.017 2.666 7.401 1.00 1.51 H new ATOM 0 HD12 LEU A 57 65.723 4.162 8.056 1.00 1.51 H new ATOM 0 HD13 LEU A 57 64.025 3.754 8.401 1.00 1.51 H new ATOM 0 HD21 LEU A 57 63.307 2.783 5.583 1.00 1.41 H new ATOM 0 HD22 LEU A 57 62.317 3.874 6.583 1.00 1.41 H new ATOM 0 HD23 LEU A 57 62.799 4.363 4.941 1.00 1.41 H new ATOM 886 N GLN A 58 64.846 8.931 7.158 1.00 0.68 N ATOM 887 CA GLN A 58 65.003 10.307 6.605 1.00 0.72 C ATOM 888 C GLN A 58 66.318 10.925 7.087 1.00 0.71 C ATOM 889 O GLN A 58 66.986 11.633 6.360 1.00 0.79 O ATOM 890 CB GLN A 58 63.811 11.091 7.155 1.00 0.79 C ATOM 891 CG GLN A 58 63.474 12.241 6.205 1.00 1.09 C ATOM 892 CD GLN A 58 62.269 11.858 5.345 1.00 1.67 C ATOM 893 OE1 GLN A 58 61.442 12.692 5.031 1.00 2.37 O ATOM 894 NE2 GLN A 58 62.131 10.622 4.948 1.00 2.20 N ATOM 0 H GLN A 58 64.141 8.834 7.889 1.00 0.68 H new ATOM 0 HA GLN A 58 65.030 10.314 5.515 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.949 10.433 7.266 1.00 0.79 H new ATOM 0 HB3 GLN A 58 64.044 11.480 8.146 1.00 0.79 H new ATOM 0 HG2 GLN A 58 63.255 13.144 6.774 1.00 1.09 H new ATOM 0 HG3 GLN A 58 64.331 12.464 5.570 1.00 1.09 H new ATOM 0 HE21 GLN A 58 62.824 9.921 5.211 1.00 2.20 H new ATOM 0 HE22 GLN A 58 61.330 10.357 4.375 1.00 2.20 H new ATOM 903 N GLU A 59 66.696 10.662 8.308 1.00 0.70 N ATOM 904 CA GLU A 59 67.967 11.237 8.836 1.00 0.72 C ATOM 905 C GLU A 59 69.139 10.853 7.928 1.00 0.73 C ATOM 906 O GLU A 59 70.119 11.563 7.828 1.00 0.75 O ATOM 907 CB GLU A 59 68.137 10.617 10.224 1.00 0.75 C ATOM 908 CG GLU A 59 68.575 11.697 11.214 1.00 1.37 C ATOM 909 CD GLU A 59 69.624 11.123 12.168 1.00 1.66 C ATOM 910 OE1 GLU A 59 70.659 10.693 11.686 1.00 2.42 O ATOM 911 OE2 GLU A 59 69.374 11.122 13.362 1.00 2.02 O ATOM 0 H GLU A 59 66.180 10.074 8.963 1.00 0.70 H new ATOM 0 HA GLU A 59 67.942 12.326 8.877 1.00 0.72 H new ATOM 0 HB2 GLU A 59 67.199 10.168 10.551 1.00 0.75 H new ATOM 0 HB3 GLU A 59 68.878 9.818 10.189 1.00 0.75 H new ATOM 0 HG2 GLU A 59 68.986 12.552 10.677 1.00 1.37 H new ATOM 0 HG3 GLU A 59 67.715 12.058 11.778 1.00 1.37 H new ATOM 918 N MET A 60 69.044 9.733 7.263 1.00 0.79 N ATOM 919 CA MET A 60 70.153 9.307 6.362 1.00 0.84 C ATOM 920 C MET A 60 69.973 9.931 4.976 1.00 0.82 C ATOM 921 O MET A 60 70.776 10.728 4.535 1.00 0.96 O ATOM 922 CB MET A 60 70.037 7.785 6.283 1.00 0.93 C ATOM 923 CG MET A 60 70.892 7.148 7.380 1.00 1.27 C ATOM 924 SD MET A 60 69.855 6.079 8.409 1.00 1.65 S ATOM 925 CE MET A 60 69.460 4.852 7.137 1.00 0.97 C ATOM 0 H MET A 60 68.248 9.096 7.305 1.00 0.79 H new ATOM 0 HA MET A 60 71.130 9.622 6.730 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.996 7.483 6.398 1.00 0.93 H new ATOM 0 HB3 MET A 60 70.364 7.435 5.304 1.00 0.93 H new ATOM 0 HG2 MET A 60 71.701 6.569 6.935 1.00 1.27 H new ATOM 0 HG3 MET A 60 71.354 7.923 7.992 1.00 1.27 H new ATOM 0 HE1 MET A 60 68.501 4.387 7.366 1.00 0.97 H new ATOM 0 HE2 MET A 60 69.403 5.341 6.165 1.00 0.97 H new ATOM 0 HE3 MET A 60 70.237 4.088 7.114 1.00 0.97 H new ATOM 935 N ILE A 61 68.924 9.573 4.287 1.00 0.76 N ATOM 936 CA ILE A 61 68.688 10.144 2.929 1.00 0.78 C ATOM 937 C ILE A 61 68.998 11.644 2.922 1.00 0.77 C ATOM 938 O ILE A 61 69.637 12.150 2.020 1.00 0.82 O ATOM 939 CB ILE A 61 67.204 9.900 2.658 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.966 8.404 2.438 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.775 10.672 1.408 1.00 0.89 C ATOM 942 CD1 ILE A 61 65.566 8.032 2.926 1.00 0.98 C ATOM 0 H ILE A 61 68.219 8.909 4.606 1.00 0.76 H new ATOM 0 HA ILE A 61 69.324 9.689 2.170 1.00 0.78 H new ATOM 0 HB ILE A 61 66.620 10.242 3.512 1.00 0.81 H new ATOM 0 HG12 ILE A 61 67.071 8.160 1.381 1.00 0.90 H new ATOM 0 HG13 ILE A 61 67.716 7.823 2.975 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.716 10.496 1.217 1.00 0.89 H new ATOM 0 HG22 ILE A 61 66.944 11.738 1.563 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.359 10.333 0.553 1.00 0.89 H new ATOM 0 HD11 ILE A 61 65.397 6.967 2.769 1.00 0.98 H new ATOM 0 HD12 ILE A 61 65.478 8.261 3.988 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.823 8.603 2.369 1.00 0.98 H new ATOM 954 N ASP A 62 68.549 12.358 3.918 1.00 0.82 N ATOM 955 CA ASP A 62 68.817 13.824 3.967 1.00 0.90 C ATOM 956 C ASP A 62 70.263 14.116 3.557 1.00 0.85 C ATOM 957 O ASP A 62 70.529 15.005 2.772 1.00 0.91 O ATOM 958 CB ASP A 62 68.582 14.220 5.424 1.00 1.03 C ATOM 959 CG ASP A 62 69.152 15.618 5.674 1.00 1.58 C ATOM 960 OD1 ASP A 62 69.207 16.389 4.731 1.00 2.24 O ATOM 961 OD2 ASP A 62 69.523 15.893 6.803 1.00 2.06 O ATOM 0 H ASP A 62 68.008 11.990 4.700 1.00 0.82 H new ATOM 0 HA ASP A 62 68.177 14.382 3.283 1.00 0.90 H new ATOM 0 HB2 ASP A 62 67.515 14.206 5.648 1.00 1.03 H new ATOM 0 HB3 ASP A 62 69.057 13.498 6.089 1.00 1.03 H new ATOM 966 N GLU A 63 71.199 13.376 4.084 1.00 0.84 N ATOM 967 CA GLU A 63 72.629 13.613 3.724 1.00 0.91 C ATOM 968 C GLU A 63 73.185 12.415 2.951 1.00 1.01 C ATOM 969 O GLU A 63 74.280 12.457 2.426 1.00 1.32 O ATOM 970 CB GLU A 63 73.352 13.767 5.062 1.00 0.99 C ATOM 971 CG GLU A 63 72.911 12.652 6.013 1.00 1.35 C ATOM 972 CD GLU A 63 73.921 12.523 7.155 1.00 1.55 C ATOM 973 OE1 GLU A 63 75.057 12.922 6.962 1.00 2.14 O ATOM 974 OE2 GLU A 63 73.540 12.027 8.202 1.00 2.00 O ATOM 0 H GLU A 63 71.038 12.618 4.747 1.00 0.84 H new ATOM 0 HA GLU A 63 72.755 14.489 3.087 1.00 0.91 H new ATOM 0 HB2 GLU A 63 74.431 13.725 4.911 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.129 14.741 5.498 1.00 0.99 H new ATOM 0 HG2 GLU A 63 71.921 12.871 6.413 1.00 1.35 H new ATOM 0 HG3 GLU A 63 72.835 11.708 5.473 1.00 1.35 H new ATOM 981 N VAL A 64 72.439 11.347 2.879 1.00 0.92 N ATOM 982 CA VAL A 64 72.925 10.145 2.143 1.00 1.07 C ATOM 983 C VAL A 64 72.532 10.230 0.664 1.00 1.13 C ATOM 984 O VAL A 64 73.284 9.845 -0.209 1.00 1.54 O ATOM 985 CB VAL A 64 72.225 8.964 2.818 1.00 1.23 C ATOM 986 CG1 VAL A 64 72.319 7.730 1.920 1.00 2.24 C ATOM 987 CG2 VAL A 64 72.903 8.671 4.157 1.00 1.42 C ATOM 0 H VAL A 64 71.514 11.254 3.298 1.00 0.92 H new ATOM 0 HA VAL A 64 74.011 10.051 2.174 1.00 1.07 H new ATOM 0 HB VAL A 64 71.176 9.211 2.985 1.00 1.23 H new ATOM 0 HG11 VAL A 64 71.820 6.890 2.403 1.00 2.24 H new ATOM 0 HG12 VAL A 64 71.838 7.938 0.964 1.00 2.24 H new ATOM 0 HG13 VAL A 64 73.367 7.481 1.752 1.00 2.24 H new ATOM 0 HG21 VAL A 64 72.406 7.830 4.640 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.951 8.425 3.988 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.836 9.549 4.799 1.00 1.42 H new ATOM 997 N ASP A 65 71.361 10.728 0.378 1.00 1.00 N ATOM 998 CA ASP A 65 70.923 10.832 -1.044 1.00 1.14 C ATOM 999 C ASP A 65 71.129 12.260 -1.562 1.00 1.45 C ATOM 1000 O ASP A 65 70.310 12.792 -2.283 1.00 1.74 O ATOM 1001 CB ASP A 65 69.435 10.479 -1.024 1.00 1.21 C ATOM 1002 CG ASP A 65 68.866 10.577 -2.441 1.00 2.09 C ATOM 1003 OD1 ASP A 65 69.441 9.972 -3.332 1.00 2.63 O ATOM 1004 OD2 ASP A 65 67.866 11.254 -2.612 1.00 2.83 O ATOM 0 H ASP A 65 70.689 11.067 1.066 1.00 1.00 H new ATOM 0 HA ASP A 65 71.492 10.173 -1.700 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.295 9.471 -0.634 1.00 1.21 H new ATOM 0 HB3 ASP A 65 68.899 11.156 -0.358 1.00 1.21 H new ATOM 1043 N SER A 69 67.102 13.477 -5.710 1.00 1.42 N ATOM 1044 CA SER A 69 65.940 14.322 -5.312 1.00 1.79 C ATOM 1045 C SER A 69 64.990 13.528 -4.410 1.00 1.42 C ATOM 1046 O SER A 69 63.802 13.454 -4.656 1.00 1.97 O ATOM 1047 CB SER A 69 65.251 14.688 -6.626 1.00 2.79 C ATOM 1048 OG SER A 69 65.297 16.099 -6.802 1.00 3.72 O ATOM 0 HA SER A 69 66.245 15.205 -4.750 1.00 1.79 H new ATOM 0 HB2 SER A 69 65.744 14.189 -7.460 1.00 2.79 H new ATOM 0 HB3 SER A 69 64.217 14.344 -6.616 1.00 2.79 H new ATOM 0 HG SER A 69 64.858 16.338 -7.645 1.00 3.72 H new ATOM 1054 N GLY A 70 65.504 12.934 -3.368 1.00 1.01 N ATOM 1055 CA GLY A 70 64.631 12.148 -2.451 1.00 1.07 C ATOM 1056 C GLY A 70 64.370 10.766 -3.052 1.00 0.84 C ATOM 1057 O GLY A 70 63.350 10.153 -2.805 1.00 0.87 O ATOM 0 H GLY A 70 66.491 12.959 -3.112 1.00 1.01 H new ATOM 0 HA2 GLY A 70 65.107 12.048 -1.476 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.688 12.671 -2.293 1.00 1.07 H new ATOM 1061 N THR A 71 65.285 10.269 -3.838 1.00 0.70 N ATOM 1062 CA THR A 71 65.088 8.925 -4.455 1.00 0.55 C ATOM 1063 C THR A 71 66.363 8.088 -4.315 1.00 0.54 C ATOM 1064 O THR A 71 67.457 8.563 -4.547 1.00 0.72 O ATOM 1065 CB THR A 71 64.786 9.206 -5.928 1.00 0.60 C ATOM 1066 OG1 THR A 71 65.880 9.902 -6.508 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.521 10.060 -6.036 1.00 0.81 C ATOM 0 H THR A 71 66.160 10.734 -4.080 1.00 0.70 H new ATOM 0 HA THR A 71 64.286 8.363 -3.976 1.00 0.55 H new ATOM 0 HB THR A 71 64.633 8.264 -6.455 1.00 0.60 H new ATOM 0 HG1 THR A 71 65.868 9.779 -7.480 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.306 10.260 -7.086 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.682 9.526 -5.589 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.673 11.003 -5.510 1.00 0.81 H new ATOM 1075 N VAL A 72 66.230 6.846 -3.936 1.00 0.52 N ATOM 1076 CA VAL A 72 67.440 5.982 -3.777 1.00 0.65 C ATOM 1077 C VAL A 72 67.525 4.948 -4.899 1.00 0.56 C ATOM 1078 O VAL A 72 66.531 4.549 -5.474 1.00 0.57 O ATOM 1079 CB VAL A 72 67.277 5.268 -2.432 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.692 6.207 -1.305 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.819 4.844 -2.231 1.00 1.23 C ATOM 0 H VAL A 72 65.341 6.391 -3.730 1.00 0.52 H new ATOM 0 HA VAL A 72 68.350 6.580 -3.817 1.00 0.65 H new ATOM 0 HB VAL A 72 67.909 4.380 -2.423 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.576 5.699 -0.347 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.734 6.497 -1.438 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.063 7.097 -1.322 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.716 4.338 -1.271 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.178 5.726 -2.246 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.523 4.167 -3.032 1.00 1.23 H new ATOM 1091 N ASP A 73 68.712 4.498 -5.194 1.00 0.64 N ATOM 1092 CA ASP A 73 68.883 3.470 -6.257 1.00 0.70 C ATOM 1093 C ASP A 73 69.349 2.163 -5.613 1.00 0.70 C ATOM 1094 O ASP A 73 69.295 2.003 -4.410 1.00 0.71 O ATOM 1095 CB ASP A 73 69.960 4.030 -7.186 1.00 0.85 C ATOM 1096 CG ASP A 73 69.823 3.394 -8.570 1.00 1.25 C ATOM 1097 OD1 ASP A 73 69.775 2.177 -8.639 1.00 1.72 O ATOM 1098 OD2 ASP A 73 69.768 4.134 -9.538 1.00 1.91 O ATOM 0 H ASP A 73 69.575 4.800 -4.742 1.00 0.64 H new ATOM 0 HA ASP A 73 67.961 3.261 -6.800 1.00 0.70 H new ATOM 0 HB2 ASP A 73 69.863 5.113 -7.261 1.00 0.85 H new ATOM 0 HB3 ASP A 73 70.950 3.826 -6.777 1.00 0.85 H new ATOM 1103 N PHE A 74 69.809 1.226 -6.392 1.00 0.81 N ATOM 1104 CA PHE A 74 70.275 -0.057 -5.796 1.00 0.87 C ATOM 1105 C PHE A 74 71.547 0.174 -4.979 1.00 0.76 C ATOM 1106 O PHE A 74 71.944 -0.653 -4.183 1.00 0.74 O ATOM 1107 CB PHE A 74 70.554 -0.977 -6.985 1.00 1.04 C ATOM 1108 CG PHE A 74 70.559 -2.413 -6.518 1.00 1.34 C ATOM 1109 CD1 PHE A 74 69.367 -3.147 -6.499 1.00 2.11 C ATOM 1110 CD2 PHE A 74 71.756 -3.010 -6.106 1.00 2.16 C ATOM 1111 CE1 PHE A 74 69.372 -4.479 -6.067 1.00 3.02 C ATOM 1112 CE2 PHE A 74 71.762 -4.341 -5.673 1.00 3.14 C ATOM 1113 CZ PHE A 74 70.570 -5.076 -5.654 1.00 3.42 C ATOM 0 H PHE A 74 69.883 1.291 -7.407 1.00 0.81 H new ATOM 0 HA PHE A 74 69.538 -0.489 -5.119 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.795 -0.836 -7.754 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.514 -0.726 -7.435 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.444 -2.686 -6.817 1.00 2.11 H new ATOM 0 HD2 PHE A 74 72.675 -2.443 -6.122 1.00 2.16 H new ATOM 0 HE1 PHE A 74 68.453 -5.046 -6.052 1.00 3.02 H new ATOM 0 HE2 PHE A 74 72.685 -4.801 -5.354 1.00 3.14 H new ATOM 0 HZ PHE A 74 70.574 -6.103 -5.321 1.00 3.42 H new ATOM 1123 N ASP A 75 72.187 1.296 -5.167 1.00 0.79 N ATOM 1124 CA ASP A 75 73.431 1.581 -4.395 1.00 0.78 C ATOM 1125 C ASP A 75 73.078 2.234 -3.058 1.00 0.71 C ATOM 1126 O ASP A 75 73.602 1.875 -2.021 1.00 0.67 O ATOM 1127 CB ASP A 75 74.230 2.548 -5.270 1.00 0.96 C ATOM 1128 CG ASP A 75 75.492 2.984 -4.524 1.00 1.50 C ATOM 1129 OD1 ASP A 75 75.361 3.710 -3.552 1.00 1.99 O ATOM 1130 OD2 ASP A 75 76.568 2.585 -4.937 1.00 2.18 O ATOM 0 H ASP A 75 71.903 2.026 -5.820 1.00 0.79 H new ATOM 0 HA ASP A 75 73.996 0.676 -4.171 1.00 0.78 H new ATOM 0 HB2 ASP A 75 74.498 2.067 -6.211 1.00 0.96 H new ATOM 0 HB3 ASP A 75 73.622 3.418 -5.518 1.00 0.96 H new ATOM 1135 N GLU A 76 72.189 3.189 -3.071 1.00 0.74 N ATOM 1136 CA GLU A 76 71.799 3.864 -1.801 1.00 0.72 C ATOM 1137 C GLU A 76 70.972 2.914 -0.932 1.00 0.61 C ATOM 1138 O GLU A 76 71.276 2.692 0.223 1.00 0.60 O ATOM 1139 CB GLU A 76 70.960 5.066 -2.235 1.00 0.82 C ATOM 1140 CG GLU A 76 71.816 6.008 -3.083 1.00 0.96 C ATOM 1141 CD GLU A 76 71.287 7.437 -2.953 1.00 1.36 C ATOM 1142 OE1 GLU A 76 70.555 7.694 -2.012 1.00 2.14 O ATOM 1143 OE2 GLU A 76 71.624 8.251 -3.797 1.00 2.01 O ATOM 0 H GLU A 76 71.715 3.531 -3.907 1.00 0.74 H new ATOM 0 HA GLU A 76 72.663 4.164 -1.208 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.094 4.731 -2.806 1.00 0.82 H new ATOM 0 HB3 GLU A 76 70.580 5.592 -1.360 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.855 5.963 -2.758 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.795 5.695 -4.127 1.00 0.96 H new ATOM 1150 N PHE A 77 69.929 2.350 -1.478 1.00 0.60 N ATOM 1151 CA PHE A 77 69.086 1.414 -0.679 1.00 0.54 C ATOM 1152 C PHE A 77 69.968 0.428 0.092 1.00 0.48 C ATOM 1153 O PHE A 77 69.934 0.367 1.304 1.00 0.55 O ATOM 1154 CB PHE A 77 68.230 0.675 -1.709 1.00 0.61 C ATOM 1155 CG PHE A 77 67.106 -0.043 -1.005 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.375 0.611 -0.006 1.00 1.30 C ATOM 1157 CD2 PHE A 77 66.794 -1.364 -1.349 1.00 1.52 C ATOM 1158 CE1 PHE A 77 65.332 -0.056 0.648 1.00 1.38 C ATOM 1159 CE2 PHE A 77 65.751 -2.031 -0.695 1.00 1.78 C ATOM 1160 CZ PHE A 77 65.020 -1.377 0.304 1.00 1.25 C ATOM 0 H PHE A 77 69.624 2.496 -2.440 1.00 0.60 H new ATOM 0 HA PHE A 77 68.478 1.937 0.059 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.827 1.380 -2.436 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.842 -0.038 -2.262 1.00 0.61 H new ATOM 0 HD1 PHE A 77 66.616 1.630 0.260 1.00 1.30 H new ATOM 0 HD2 PHE A 77 67.358 -1.869 -2.119 1.00 1.52 H new ATOM 0 HE1 PHE A 77 64.768 0.449 1.418 1.00 1.38 H new ATOM 0 HE2 PHE A 77 65.510 -3.050 -0.961 1.00 1.78 H new ATOM 0 HZ PHE A 77 64.216 -1.891 0.809 1.00 1.25 H new ATOM 1170 N LEU A 78 70.758 -0.345 -0.603 1.00 0.46 N ATOM 1171 CA LEU A 78 71.639 -1.329 0.091 1.00 0.49 C ATOM 1172 C LEU A 78 72.335 -0.672 1.286 1.00 0.48 C ATOM 1173 O LEU A 78 72.316 -1.184 2.388 1.00 0.54 O ATOM 1174 CB LEU A 78 72.667 -1.749 -0.961 1.00 0.56 C ATOM 1175 CG LEU A 78 72.187 -3.020 -1.666 1.00 0.78 C ATOM 1176 CD1 LEU A 78 72.089 -4.160 -0.653 1.00 1.70 C ATOM 1177 CD2 LEU A 78 70.809 -2.768 -2.284 1.00 0.70 C ATOM 0 H LEU A 78 70.832 -0.338 -1.620 1.00 0.46 H new ATOM 0 HA LEU A 78 71.079 -2.179 0.480 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.807 -0.949 -1.687 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.634 -1.925 -0.490 1.00 0.56 H new ATOM 0 HG LEU A 78 72.895 -3.291 -2.449 1.00 0.78 H new ATOM 0 HD11 LEU A 78 71.747 -5.065 -1.155 1.00 1.70 H new ATOM 0 HD12 LEU A 78 73.069 -4.339 -0.211 1.00 1.70 H new ATOM 0 HD13 LEU A 78 71.381 -3.891 0.131 1.00 1.70 H new ATOM 0 HD21 LEU A 78 70.465 -3.672 -2.787 1.00 0.70 H new ATOM 0 HD22 LEU A 78 70.102 -2.498 -1.499 1.00 0.70 H new ATOM 0 HD23 LEU A 78 70.877 -1.955 -3.006 1.00 0.70 H new ATOM 1189 N VAL A 79 72.953 0.458 1.077 1.00 0.46 N ATOM 1190 CA VAL A 79 73.652 1.146 2.201 1.00 0.51 C ATOM 1191 C VAL A 79 72.704 1.321 3.391 1.00 0.53 C ATOM 1192 O VAL A 79 73.019 0.955 4.506 1.00 0.64 O ATOM 1193 CB VAL A 79 74.060 2.506 1.636 1.00 0.54 C ATOM 1194 CG1 VAL A 79 74.664 3.363 2.751 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.098 2.306 0.530 1.00 0.62 C ATOM 0 H VAL A 79 73.005 0.935 0.177 1.00 0.46 H new ATOM 0 HA VAL A 79 74.509 0.579 2.563 1.00 0.51 H new ATOM 0 HB VAL A 79 73.183 3.007 1.228 1.00 0.54 H new ATOM 0 HG11 VAL A 79 74.955 4.333 2.347 1.00 0.67 H new ATOM 0 HG12 VAL A 79 73.926 3.505 3.541 1.00 0.67 H new ATOM 0 HG13 VAL A 79 75.542 2.862 3.160 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.390 3.275 0.126 1.00 0.62 H new ATOM 0 HG22 VAL A 79 75.975 1.805 0.940 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.670 1.696 -0.265 1.00 0.62 H new ATOM 1205 N MET A 80 71.547 1.878 3.163 1.00 0.52 N ATOM 1206 CA MET A 80 70.582 2.077 4.282 1.00 0.60 C ATOM 1207 C MET A 80 70.193 0.730 4.897 1.00 0.62 C ATOM 1208 O MET A 80 69.794 0.651 6.042 1.00 0.71 O ATOM 1209 CB MET A 80 69.364 2.743 3.639 1.00 0.66 C ATOM 1210 CG MET A 80 69.554 4.261 3.633 1.00 1.11 C ATOM 1211 SD MET A 80 67.950 5.069 3.416 1.00 1.23 S ATOM 1212 CE MET A 80 68.242 5.711 1.750 1.00 0.86 C ATOM 0 H MET A 80 71.228 2.204 2.251 1.00 0.52 H new ATOM 0 HA MET A 80 71.003 2.681 5.086 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.233 2.379 2.620 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.461 2.481 4.190 1.00 0.66 H new ATOM 0 HG2 MET A 80 70.013 4.584 4.567 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.231 4.550 2.829 1.00 1.11 H new ATOM 0 HE1 MET A 80 67.300 6.051 1.321 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.941 6.546 1.799 1.00 0.86 H new ATOM 0 HE3 MET A 80 68.662 4.923 1.125 1.00 0.86 H new ATOM 1222 N MET A 81 70.302 -0.330 4.144 1.00 0.61 N ATOM 1223 CA MET A 81 69.934 -1.671 4.685 1.00 0.72 C ATOM 1224 C MET A 81 71.060 -2.222 5.564 1.00 0.79 C ATOM 1225 O MET A 81 70.828 -2.726 6.644 1.00 0.91 O ATOM 1226 CB MET A 81 69.738 -2.553 3.452 1.00 0.75 C ATOM 1227 CG MET A 81 68.299 -3.070 3.417 1.00 1.01 C ATOM 1228 SD MET A 81 67.496 -2.515 1.894 1.00 1.71 S ATOM 1229 CE MET A 81 67.945 -3.938 0.869 1.00 1.66 C ATOM 0 H MET A 81 70.630 -0.327 3.178 1.00 0.61 H new ATOM 0 HA MET A 81 69.040 -1.631 5.308 1.00 0.72 H new ATOM 0 HB2 MET A 81 69.953 -1.984 2.547 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.436 -3.390 3.476 1.00 0.75 H new ATOM 0 HG2 MET A 81 68.291 -4.159 3.469 1.00 1.01 H new ATOM 0 HG3 MET A 81 67.749 -2.705 4.285 1.00 1.01 H new ATOM 0 HE1 MET A 81 68.667 -3.629 0.113 1.00 1.66 H new ATOM 0 HE2 MET A 81 68.386 -4.713 1.496 1.00 1.66 H new ATOM 0 HE3 MET A 81 67.053 -4.330 0.380 1.00 1.66 H new ATOM 1239 N VAL A 82 72.280 -2.133 5.108 1.00 0.78 N ATOM 1240 CA VAL A 82 73.418 -2.657 5.918 1.00 0.90 C ATOM 1241 C VAL A 82 73.553 -1.868 7.223 1.00 0.94 C ATOM 1242 O VAL A 82 74.100 -2.350 8.195 1.00 1.13 O ATOM 1243 CB VAL A 82 74.652 -2.457 5.039 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.496 -3.267 3.750 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.795 -0.973 4.692 1.00 1.38 C ATOM 0 H VAL A 82 72.538 -1.721 4.211 1.00 0.78 H new ATOM 0 HA VAL A 82 73.279 -3.702 6.196 1.00 0.90 H new ATOM 0 HB VAL A 82 75.539 -2.793 5.576 1.00 0.98 H new ATOM 0 HG11 VAL A 82 75.376 -3.125 3.122 1.00 1.83 H new ATOM 0 HG12 VAL A 82 74.392 -4.324 3.995 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.609 -2.930 3.213 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.675 -0.829 4.065 1.00 1.38 H new ATOM 0 HG22 VAL A 82 73.908 -0.638 4.155 1.00 1.38 H new ATOM 0 HG23 VAL A 82 74.904 -0.394 5.609 1.00 1.38 H new ATOM 1255 N ARG A 83 73.060 -0.661 7.253 1.00 0.84 N ATOM 1256 CA ARG A 83 73.163 0.152 8.498 1.00 0.93 C ATOM 1257 C ARG A 83 71.897 -0.014 9.345 1.00 0.93 C ATOM 1258 O ARG A 83 71.945 0.003 10.558 1.00 1.23 O ATOM 1259 CB ARG A 83 73.301 1.597 8.019 1.00 0.95 C ATOM 1260 CG ARG A 83 73.567 2.510 9.217 1.00 1.53 C ATOM 1261 CD ARG A 83 75.025 2.972 9.195 1.00 1.50 C ATOM 1262 NE ARG A 83 75.074 4.136 10.123 1.00 1.75 N ATOM 1263 CZ ARG A 83 76.114 4.923 10.128 1.00 2.02 C ATOM 1264 NH1 ARG A 83 77.227 4.537 9.567 1.00 2.44 N ATOM 1265 NH2 ARG A 83 76.042 6.096 10.694 1.00 2.58 N ATOM 0 H ARG A 83 72.591 -0.203 6.471 1.00 0.84 H new ATOM 0 HA ARG A 83 74.004 -0.153 9.121 1.00 0.93 H new ATOM 0 HB2 ARG A 83 74.116 1.676 7.300 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.392 1.909 7.505 1.00 0.95 H new ATOM 0 HG2 ARG A 83 72.901 3.372 9.185 1.00 1.53 H new ATOM 0 HG3 ARG A 83 73.357 1.979 10.146 1.00 1.53 H new ATOM 0 HD2 ARG A 83 75.696 2.178 9.522 1.00 1.50 H new ATOM 0 HD3 ARG A 83 75.334 3.256 8.189 1.00 1.50 H new ATOM 0 HE ARG A 83 74.294 4.318 10.755 1.00 1.75 H new ATOM 0 HH11 ARG A 83 77.284 3.620 9.124 1.00 2.44 H new ATOM 0 HH12 ARG A 83 78.040 5.153 9.571 1.00 2.44 H new ATOM 0 HH21 ARG A 83 75.172 6.398 11.133 1.00 2.58 H new ATOM 0 HH22 ARG A 83 76.856 6.711 10.698 1.00 2.58 H new ATOM 1279 N CYS A 84 70.767 -0.172 8.714 1.00 0.81 N ATOM 1280 CA CYS A 84 69.499 -0.337 9.483 1.00 0.94 C ATOM 1281 C CYS A 84 69.407 -1.755 10.054 1.00 1.01 C ATOM 1282 O CYS A 84 68.782 -1.985 11.069 1.00 1.67 O ATOM 1283 CB CYS A 84 68.386 -0.096 8.464 1.00 1.20 C ATOM 1284 SG CYS A 84 68.085 1.683 8.310 1.00 1.56 S ATOM 0 H CYS A 84 70.665 -0.194 7.699 1.00 0.81 H new ATOM 0 HA CYS A 84 69.435 0.349 10.327 1.00 0.94 H new ATOM 0 HB2 CYS A 84 68.667 -0.513 7.497 1.00 1.20 H new ATOM 0 HB3 CYS A 84 67.474 -0.604 8.778 1.00 1.20 H new ATOM 0 HG CYS A 84 68.570 2.109 7.182 1.00 1.56 H new ATOM 1290 N MET A 85 70.023 -2.707 9.408 1.00 1.25 N ATOM 1291 CA MET A 85 69.968 -4.108 9.914 1.00 1.43 C ATOM 1292 C MET A 85 70.281 -4.144 11.413 1.00 1.78 C ATOM 1293 O MET A 85 69.680 -4.886 12.165 1.00 2.66 O ATOM 1294 CB MET A 85 71.043 -4.857 9.126 1.00 1.49 C ATOM 1295 CG MET A 85 70.386 -5.658 8.000 1.00 1.71 C ATOM 1296 SD MET A 85 71.471 -7.025 7.521 1.00 1.93 S ATOM 1297 CE MET A 85 71.173 -6.936 5.738 1.00 1.59 C ATOM 0 H MET A 85 70.562 -2.575 8.552 1.00 1.25 H new ATOM 0 HA MET A 85 68.982 -4.553 9.785 1.00 1.43 H new ATOM 0 HB2 MET A 85 71.763 -4.151 8.712 1.00 1.49 H new ATOM 0 HB3 MET A 85 71.595 -5.525 9.788 1.00 1.49 H new ATOM 0 HG2 MET A 85 69.421 -6.043 8.329 1.00 1.71 H new ATOM 0 HG3 MET A 85 70.196 -5.012 7.143 1.00 1.71 H new ATOM 0 HE1 MET A 85 71.755 -7.707 5.233 1.00 1.59 H new ATOM 0 HE2 MET A 85 70.113 -7.093 5.538 1.00 1.59 H new ATOM 0 HE3 MET A 85 71.471 -5.955 5.368 1.00 1.59 H new