USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 737 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 70 SER OG : rot -120:sc= 0.0372 USER MOD Set 1.2: A 73 ASN : amide:sc= 1.19 K(o=2.4,f=-6.6!) USER MOD Set 1.3: A 75 TYR OH : rot -165:sc= 1.19 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.12 (180deg=-0.894) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0441 (180deg=-0.243) USER MOD Single : A 3 GLN : amide:sc= -0.0827 X(o=-0.083,f=-0.23) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0582 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 75:sc= 0.53 USER MOD Single : A 31 TYR OH : rot -140:sc= -0.168 USER MOD Single : A 32 LYS NZ :NH3+ -144:sc= 0.724 (180deg=-0.565) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.011) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -160:sc= -0.19 USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0212 (180deg=-0.212) USER MOD Single : A 48 GLN : amide:sc= 0.711 K(o=0.71,f=-1.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : A 58 GLN : amide:sc= -1! C(o=-1!,f=-1.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 64 ASN : amide:sc= -0.811 X(o=-0.81,f=-0.57) USER MOD Single : A 69 TYR OH : rot 180:sc= -1.67 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 40:sc= 0.52 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 87 THR OG1 : rot -30:sc= 0.545 USER MOD Single : A 89 GLN : amide:sc= -0.699 X(o=-0.7,f=-1.1) USER MOD Single : A 91 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.097) USER MOD Single : A 96 THR OG1 : rot -61:sc= -0.245 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 101 HIS : no HD1:sc= -0.293 X(o=-0.29,f=0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.961 -1.749 2.628 1.00 1.09 N ATOM 2 CA MET A 1 17.087 -1.407 3.774 1.00 0.39 C ATOM 3 C MET A 1 15.901 -0.557 3.318 1.00 0.30 C ATOM 4 O MET A 1 16.065 0.565 2.833 1.00 0.45 O ATOM 5 CB MET A 1 17.895 -0.684 4.863 1.00 1.38 C ATOM 6 CG MET A 1 18.618 0.564 4.381 1.00 2.13 C ATOM 7 SD MET A 1 19.667 1.299 5.651 1.00 3.23 S ATOM 8 CE MET A 1 18.488 1.546 6.977 1.00 3.75 C ATOM 0 H1 MET A 1 18.849 -2.162 2.979 1.00 1.09 H new ATOM 0 H2 MET A 1 17.478 -2.437 2.016 1.00 1.09 H new ATOM 0 H3 MET A 1 18.171 -0.889 2.083 1.00 1.09 H new ATOM 0 HA MET A 1 16.692 -2.331 4.196 1.00 0.39 H new ATOM 0 HB2 MET A 1 17.223 -0.409 5.676 1.00 1.38 H new ATOM 0 HB3 MET A 1 18.628 -1.377 5.276 1.00 1.38 H new ATOM 0 HG2 MET A 1 19.228 0.313 3.513 1.00 2.13 H new ATOM 0 HG3 MET A 1 17.884 1.300 4.052 1.00 2.13 H new ATOM 0 HE1 MET A 1 18.857 2.317 7.653 1.00 3.75 H new ATOM 0 HE2 MET A 1 17.531 1.858 6.559 1.00 3.75 H new ATOM 0 HE3 MET A 1 18.357 0.614 7.526 1.00 3.75 H new ATOM 20 N VAL A 2 14.703 -1.106 3.479 1.00 0.15 N ATOM 21 CA VAL A 2 13.479 -0.452 3.032 1.00 0.10 C ATOM 22 C VAL A 2 12.461 -0.397 4.184 1.00 0.09 C ATOM 23 O VAL A 2 12.552 -1.168 5.136 1.00 0.12 O ATOM 24 CB VAL A 2 12.853 -1.183 1.808 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.646 -0.436 1.306 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.851 -1.344 0.675 1.00 0.09 C ATOM 0 H VAL A 2 14.553 -2.013 3.921 1.00 0.15 H new ATOM 0 HA VAL A 2 13.737 0.561 2.723 1.00 0.10 H new ATOM 0 HB VAL A 2 12.556 -2.175 2.147 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.222 -0.962 0.451 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.901 -0.374 2.099 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.940 0.569 1.004 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.374 -1.859 -0.159 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.192 -0.362 0.348 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.704 -1.927 1.022 1.00 0.09 H new ATOM 36 N GLN A 3 11.523 0.537 4.090 1.00 0.09 N ATOM 37 CA GLN A 3 10.462 0.742 5.067 1.00 0.10 C ATOM 38 C GLN A 3 9.129 0.616 4.354 1.00 0.11 C ATOM 39 O GLN A 3 9.093 0.617 3.126 1.00 0.17 O ATOM 40 CB GLN A 3 10.573 2.143 5.667 1.00 0.16 C ATOM 41 CG GLN A 3 11.760 2.354 6.566 1.00 0.79 C ATOM 42 CD GLN A 3 11.789 1.400 7.748 1.00 1.14 C ATOM 43 OE1 GLN A 3 11.309 1.728 8.834 1.00 1.37 O ATOM 44 NE2 GLN A 3 12.317 0.205 7.544 1.00 2.03 N ATOM 0 H GLN A 3 11.478 1.192 3.309 1.00 0.09 H new ATOM 0 HA GLN A 3 10.545 0.003 5.864 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.618 2.868 4.854 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.665 2.353 6.233 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.674 2.232 5.985 1.00 0.79 H new ATOM 0 HG3 GLN A 3 11.751 3.380 6.935 1.00 0.79 H new ATOM 0 HE21 GLN A 3 12.705 -0.032 6.631 1.00 2.03 H new ATOM 0 HE22 GLN A 3 12.336 -0.480 8.300 1.00 2.03 H new ATOM 53 N CYS A 4 8.034 0.507 5.089 1.00 0.12 N ATOM 54 CA CYS A 4 6.750 0.371 4.434 1.00 0.13 C ATOM 55 C CYS A 4 5.604 0.905 5.286 1.00 0.17 C ATOM 56 O CYS A 4 5.610 0.810 6.515 1.00 0.29 O ATOM 57 CB CYS A 4 6.509 -1.089 4.052 1.00 0.17 C ATOM 58 SG CYS A 4 5.672 -2.081 5.326 1.00 0.30 S ATOM 0 H CYS A 4 8.009 0.510 6.109 1.00 0.12 H new ATOM 0 HA CYS A 4 6.777 0.978 3.529 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.914 -1.118 3.139 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.468 -1.553 3.822 1.00 0.17 H new ATOM 63 N GLU A 5 4.638 1.477 4.590 1.00 0.14 N ATOM 64 CA GLU A 5 3.411 2.007 5.157 1.00 0.16 C ATOM 65 C GLU A 5 2.279 1.673 4.198 1.00 0.15 C ATOM 66 O GLU A 5 2.517 1.108 3.133 1.00 0.17 O ATOM 67 CB GLU A 5 3.488 3.529 5.330 1.00 0.24 C ATOM 68 CG GLU A 5 4.585 4.005 6.264 1.00 0.33 C ATOM 69 CD GLU A 5 4.370 3.569 7.701 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.203 3.481 8.138 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.368 3.333 8.408 1.00 1.87 O ATOM 0 H GLU A 5 4.688 1.589 3.577 1.00 0.14 H new ATOM 0 HA GLU A 5 3.248 1.566 6.140 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.639 3.985 4.352 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.529 3.888 5.705 1.00 0.24 H new ATOM 0 HG2 GLU A 5 5.544 3.623 5.914 1.00 0.33 H new ATOM 0 HG3 GLU A 5 4.642 5.093 6.225 1.00 0.33 H new ATOM 78 N VAL A 6 1.058 2.013 4.563 1.00 0.17 N ATOM 79 CA VAL A 6 -0.090 1.723 3.736 1.00 0.18 C ATOM 80 C VAL A 6 -1.031 2.907 3.685 1.00 0.21 C ATOM 81 O VAL A 6 -1.311 3.539 4.707 1.00 0.33 O ATOM 82 CB VAL A 6 -0.839 0.492 4.245 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.220 -0.777 3.688 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.808 0.472 5.760 1.00 0.20 C ATOM 0 H VAL A 6 0.838 2.494 5.435 1.00 0.17 H new ATOM 0 HA VAL A 6 0.276 1.518 2.730 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.874 0.541 3.907 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.767 -1.643 4.062 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.270 -0.759 2.599 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.822 -0.842 4.003 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.342 -0.406 6.123 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.226 0.435 6.102 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.286 1.373 6.146 1.00 0.20 H new ATOM 94 N GLU A 7 -1.501 3.207 2.489 1.00 0.16 N ATOM 95 CA GLU A 7 -2.335 4.377 2.268 1.00 0.16 C ATOM 96 C GLU A 7 -3.505 4.074 1.351 1.00 0.16 C ATOM 97 O GLU A 7 -3.479 3.129 0.565 1.00 0.28 O ATOM 98 CB GLU A 7 -1.513 5.507 1.651 1.00 0.26 C ATOM 99 CG GLU A 7 -0.105 5.600 2.190 1.00 0.24 C ATOM 100 CD GLU A 7 0.302 7.025 2.482 1.00 1.05 C ATOM 101 OE1 GLU A 7 0.623 7.767 1.530 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.308 7.412 3.669 1.00 1.11 O ATOM 0 H GLU A 7 -1.319 2.655 1.651 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.722 4.678 3.241 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.470 5.365 0.571 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -2.023 6.454 1.828 1.00 0.26 H new ATOM 0 HG2 GLU A 7 -0.027 5.008 3.102 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.588 5.167 1.468 1.00 0.24 H new ATOM 109 N ALA A 8 -4.526 4.897 1.457 1.00 0.14 N ATOM 110 CA ALA A 8 -5.662 4.833 0.566 1.00 0.12 C ATOM 111 C ALA A 8 -5.957 6.239 0.043 1.00 0.15 C ATOM 112 O ALA A 8 -6.150 7.167 0.827 1.00 0.17 O ATOM 113 CB ALA A 8 -6.852 4.272 1.310 1.00 0.13 C ATOM 0 H ALA A 8 -4.591 5.629 2.164 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.448 4.179 -0.280 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.710 4.223 0.640 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.616 3.271 1.672 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -7.089 4.917 2.156 1.00 0.13 H new ATOM 119 N ALA A 9 -5.990 6.398 -1.268 1.00 0.16 N ATOM 120 CA ALA A 9 -6.161 7.710 -1.879 1.00 0.19 C ATOM 121 C ALA A 9 -7.549 7.850 -2.482 1.00 0.19 C ATOM 122 O ALA A 9 -7.850 7.256 -3.514 1.00 0.20 O ATOM 123 CB ALA A 9 -5.098 7.934 -2.940 1.00 0.22 C ATOM 0 H ALA A 9 -5.900 5.632 -1.936 1.00 0.16 H new ATOM 0 HA ALA A 9 -6.051 8.468 -1.103 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.235 8.917 -3.390 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -4.110 7.879 -2.483 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.185 7.167 -3.710 1.00 0.22 H new ATOM 129 N VAL A 10 -8.394 8.635 -1.841 1.00 0.22 N ATOM 130 CA VAL A 10 -9.772 8.764 -2.281 1.00 0.23 C ATOM 131 C VAL A 10 -9.941 9.882 -3.296 1.00 0.27 C ATOM 132 O VAL A 10 -9.481 11.004 -3.091 1.00 0.33 O ATOM 133 CB VAL A 10 -10.729 9.008 -1.100 1.00 0.25 C ATOM 134 CG1 VAL A 10 -12.151 9.216 -1.605 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.672 7.845 -0.127 1.00 0.27 C ATOM 0 H VAL A 10 -8.154 9.190 -1.019 1.00 0.22 H new ATOM 0 HA VAL A 10 -10.026 7.816 -2.754 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.415 9.911 -0.576 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.816 9.387 -0.759 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.179 10.080 -2.269 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.477 8.330 -2.149 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.354 8.031 0.703 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.965 6.928 -0.638 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.656 7.739 0.254 1.00 0.27 H new ATOM 145 N SER A 11 -10.594 9.550 -4.393 1.00 0.29 N ATOM 146 CA SER A 11 -10.995 10.524 -5.379 1.00 0.36 C ATOM 147 C SER A 11 -12.507 10.433 -5.562 1.00 0.45 C ATOM 148 O SER A 11 -13.154 9.585 -4.942 1.00 0.63 O ATOM 149 CB SER A 11 -10.260 10.278 -6.695 1.00 0.45 C ATOM 150 OG SER A 11 -10.514 11.308 -7.637 1.00 1.22 O ATOM 0 H SER A 11 -10.860 8.593 -4.622 1.00 0.29 H new ATOM 0 HA SER A 11 -10.735 11.528 -5.045 1.00 0.36 H new ATOM 0 HB2 SER A 11 -9.188 10.213 -6.507 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.570 9.319 -7.111 1.00 0.45 H new ATOM 0 HG SER A 11 -10.027 11.120 -8.467 1.00 1.22 H new ATOM 156 N GLY A 12 -13.067 11.300 -6.391 1.00 0.45 N ATOM 157 CA GLY A 12 -14.500 11.309 -6.608 1.00 0.54 C ATOM 158 C GLY A 12 -15.017 10.015 -7.210 1.00 0.49 C ATOM 159 O GLY A 12 -14.941 9.811 -8.423 1.00 0.61 O ATOM 0 H GLY A 12 -12.551 12.003 -6.921 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -15.005 11.489 -5.659 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.757 12.138 -7.267 1.00 0.54 H new ATOM 163 N GLY A 13 -15.516 9.129 -6.358 1.00 0.45 N ATOM 164 CA GLY A 13 -16.131 7.901 -6.824 1.00 0.48 C ATOM 165 C GLY A 13 -15.194 6.707 -6.798 1.00 0.41 C ATOM 166 O GLY A 13 -15.638 5.561 -6.865 1.00 0.45 O ATOM 0 H GLY A 13 -15.505 9.240 -5.344 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -17.002 7.683 -6.206 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.491 8.048 -7.842 1.00 0.48 H new ATOM 170 N HIS A 14 -13.899 6.957 -6.675 1.00 0.34 N ATOM 171 CA HIS A 14 -12.915 5.878 -6.707 1.00 0.31 C ATOM 172 C HIS A 14 -11.856 6.085 -5.644 1.00 0.30 C ATOM 173 O HIS A 14 -11.429 7.207 -5.391 1.00 0.43 O ATOM 174 CB HIS A 14 -12.238 5.773 -8.076 1.00 0.34 C ATOM 175 CG HIS A 14 -13.119 5.233 -9.159 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.596 6.000 -10.198 1.00 1.56 N ATOM 177 CD2 HIS A 14 -13.593 3.983 -9.369 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.327 5.247 -10.999 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.339 4.021 -10.518 1.00 1.82 N ATOM 0 H HIS A 14 -13.504 7.889 -6.553 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.453 4.950 -6.511 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.884 6.761 -8.370 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.360 5.134 -7.986 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -13.416 3.118 -8.748 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -14.829 5.580 -11.895 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -14.826 3.227 -10.934 1.00 1.82 H new ATOM 188 N VAL A 15 -11.434 5.002 -5.028 1.00 0.23 N ATOM 189 CA VAL A 15 -10.380 5.057 -4.042 1.00 0.20 C ATOM 190 C VAL A 15 -9.175 4.258 -4.538 1.00 0.18 C ATOM 191 O VAL A 15 -9.264 3.059 -4.779 1.00 0.17 O ATOM 192 CB VAL A 15 -10.874 4.558 -2.653 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.530 3.184 -2.734 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.737 4.546 -1.643 1.00 0.17 C ATOM 0 H VAL A 15 -11.808 4.068 -5.195 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.075 6.095 -3.907 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.634 5.263 -2.316 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.858 2.878 -1.741 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.390 3.230 -3.402 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.811 2.460 -3.117 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.109 4.193 -0.681 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.947 3.881 -1.992 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.339 5.555 -1.531 1.00 0.17 H new ATOM 204 N THR A 16 -8.059 4.942 -4.718 1.00 0.17 N ATOM 205 CA THR A 16 -6.842 4.316 -5.202 1.00 0.16 C ATOM 206 C THR A 16 -5.966 3.951 -4.023 1.00 0.14 C ATOM 207 O THR A 16 -5.528 4.813 -3.275 1.00 0.15 O ATOM 208 CB THR A 16 -6.066 5.262 -6.138 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.835 5.525 -7.318 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.712 4.674 -6.512 1.00 0.19 C ATOM 0 H THR A 16 -7.971 5.941 -4.534 1.00 0.17 H new ATOM 0 HA THR A 16 -7.113 3.422 -5.763 1.00 0.16 H new ATOM 0 HB THR A 16 -5.892 6.199 -5.609 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.335 6.128 -7.907 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.186 5.363 -7.173 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.122 4.516 -5.609 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.857 3.722 -7.022 1.00 0.19 H new ATOM 218 N LEU A 17 -5.707 2.680 -3.854 1.00 0.12 N ATOM 219 CA LEU A 17 -5.036 2.220 -2.666 1.00 0.10 C ATOM 220 C LEU A 17 -3.653 1.678 -2.990 1.00 0.13 C ATOM 221 O LEU A 17 -3.493 0.917 -3.946 1.00 0.17 O ATOM 222 CB LEU A 17 -5.886 1.165 -2.000 1.00 0.11 C ATOM 223 CG LEU A 17 -5.847 1.199 -0.484 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.231 0.956 0.070 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.850 0.190 0.046 1.00 0.11 C ATOM 0 H LEU A 17 -5.949 1.948 -4.521 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.900 3.060 -1.985 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.918 1.286 -2.328 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.557 0.183 -2.339 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.518 2.185 -0.156 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.197 0.982 1.159 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.908 1.731 -0.290 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.588 -0.020 -0.259 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.836 0.229 1.135 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.138 -0.810 -0.277 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.857 0.424 -0.338 1.00 0.11 H new ATOM 237 N GLN A 18 -2.661 2.094 -2.204 1.00 0.15 N ATOM 238 CA GLN A 18 -1.279 1.667 -2.387 1.00 0.19 C ATOM 239 C GLN A 18 -0.560 1.624 -1.038 1.00 0.24 C ATOM 240 O GLN A 18 -1.104 2.051 -0.023 1.00 0.51 O ATOM 241 CB GLN A 18 -0.533 2.626 -3.313 1.00 0.32 C ATOM 242 CG GLN A 18 -1.109 2.742 -4.708 1.00 0.78 C ATOM 243 CD GLN A 18 -0.355 3.731 -5.576 1.00 1.03 C ATOM 244 OE1 GLN A 18 0.849 3.928 -5.416 1.00 1.58 O ATOM 245 NE2 GLN A 18 -1.058 4.360 -6.504 1.00 1.77 N ATOM 0 H GLN A 18 -2.795 2.736 -1.423 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.291 0.673 -2.834 1.00 0.19 H new ATOM 0 HB2 GLN A 18 -0.524 3.616 -2.856 1.00 0.32 H new ATOM 0 HB3 GLN A 18 0.504 2.301 -3.390 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -1.094 1.762 -5.185 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -2.153 3.047 -4.641 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -2.055 4.169 -6.605 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -0.603 5.036 -7.118 1.00 1.77 H new ATOM 254 N GLY A 19 0.662 1.117 -1.025 1.00 0.17 N ATOM 255 CA GLY A 19 1.448 1.126 0.194 1.00 0.18 C ATOM 256 C GLY A 19 2.717 1.944 0.044 1.00 0.18 C ATOM 257 O GLY A 19 3.482 1.733 -0.892 1.00 0.19 O ATOM 0 H GLY A 19 1.124 0.700 -1.833 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.849 1.532 1.009 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.706 0.103 0.467 1.00 0.18 H new ATOM 261 N VAL A 20 2.944 2.880 0.960 1.00 0.17 N ATOM 262 CA VAL A 20 4.095 3.771 0.865 1.00 0.18 C ATOM 263 C VAL A 20 5.340 3.162 1.476 1.00 0.21 C ATOM 264 O VAL A 20 5.440 2.946 2.673 1.00 0.45 O ATOM 265 CB VAL A 20 3.818 5.150 1.498 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.109 5.867 1.880 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.010 6.005 0.543 1.00 0.20 C ATOM 0 H VAL A 20 2.349 3.041 1.773 1.00 0.17 H new ATOM 0 HA VAL A 20 4.273 3.915 -0.201 1.00 0.18 H new ATOM 0 HB VAL A 20 3.248 4.988 2.413 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.871 6.834 2.322 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.660 5.264 2.601 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.720 6.016 0.990 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.819 6.977 0.998 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.567 6.141 -0.384 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.062 5.513 0.327 1.00 0.20 H new ATOM 277 N ILE A 21 6.282 2.901 0.617 1.00 0.13 N ATOM 278 CA ILE A 21 7.567 2.370 0.994 1.00 0.11 C ATOM 279 C ILE A 21 8.586 3.486 1.114 1.00 0.13 C ATOM 280 O ILE A 21 9.017 4.052 0.115 1.00 0.14 O ATOM 281 CB ILE A 21 8.029 1.352 -0.060 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.455 -0.009 0.259 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.542 1.270 -0.174 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.594 -0.946 -0.893 1.00 0.10 C ATOM 0 H ILE A 21 6.180 3.053 -0.386 1.00 0.13 H new ATOM 0 HA ILE A 21 7.477 1.877 1.962 1.00 0.11 H new ATOM 0 HB ILE A 21 7.659 1.695 -1.026 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.963 -0.424 1.130 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.402 0.092 0.522 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.810 0.535 -0.933 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.939 2.245 -0.456 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.963 0.971 0.786 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.170 -1.915 -0.627 1.00 0.10 H new ATOM 0 HD12 ILE A 21 7.064 -0.543 -1.756 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.649 -1.066 -1.139 1.00 0.10 H new ATOM 296 N THR A 22 8.949 3.841 2.319 1.00 0.13 N ATOM 297 CA THR A 22 10.093 4.697 2.478 1.00 0.14 C ATOM 298 C THR A 22 11.316 3.839 2.337 1.00 0.14 C ATOM 299 O THR A 22 11.392 2.772 2.913 1.00 0.18 O ATOM 300 CB THR A 22 10.138 5.406 3.830 1.00 0.16 C ATOM 301 OG1 THR A 22 8.821 5.836 4.204 1.00 0.20 O ATOM 302 CG2 THR A 22 11.073 6.602 3.749 1.00 0.17 C ATOM 0 H THR A 22 8.484 3.560 3.182 1.00 0.13 H new ATOM 0 HA THR A 22 10.039 5.479 1.721 1.00 0.14 H new ATOM 0 HB THR A 22 10.508 4.713 4.585 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.859 6.288 5.073 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.103 7.106 4.715 1.00 0.17 H new ATOM 0 HG22 THR A 22 12.075 6.263 3.485 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.712 7.295 2.989 1.00 0.17 H new ATOM 310 N ALA A 23 12.258 4.264 1.564 1.00 0.12 N ATOM 311 CA ALA A 23 13.437 3.471 1.395 1.00 0.12 C ATOM 312 C ALA A 23 14.628 4.287 1.795 1.00 0.14 C ATOM 313 O ALA A 23 14.853 5.339 1.246 1.00 0.16 O ATOM 314 CB ALA A 23 13.532 3.016 -0.040 1.00 0.11 C ATOM 0 H ALA A 23 12.240 5.142 1.045 1.00 0.12 H new ATOM 0 HA ALA A 23 13.399 2.583 2.026 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.430 2.412 -0.171 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.654 2.421 -0.292 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.581 3.886 -0.695 1.00 0.11 H new ATOM 320 N VAL A 24 15.377 3.819 2.768 1.00 0.16 N ATOM 321 CA VAL A 24 16.489 4.602 3.285 1.00 0.18 C ATOM 322 C VAL A 24 17.667 4.625 2.309 1.00 0.20 C ATOM 323 O VAL A 24 18.649 5.338 2.511 1.00 0.25 O ATOM 324 CB VAL A 24 16.948 4.092 4.663 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.070 4.956 5.212 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.769 4.069 5.618 1.00 0.23 C ATOM 0 H VAL A 24 15.244 2.912 3.216 1.00 0.16 H new ATOM 0 HA VAL A 24 16.126 5.623 3.402 1.00 0.18 H new ATOM 0 HB VAL A 24 17.333 3.078 4.553 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.378 4.577 6.186 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.918 4.929 4.528 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.720 5.983 5.317 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.097 3.708 6.593 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.365 5.076 5.722 1.00 0.23 H new ATOM 0 HG23 VAL A 24 14.997 3.407 5.227 1.00 0.23 H new ATOM 336 N ARG A 25 17.572 3.870 1.227 1.00 0.21 N ATOM 337 CA ARG A 25 18.641 3.856 0.253 1.00 0.24 C ATOM 338 C ARG A 25 18.105 3.984 -1.166 1.00 0.23 C ATOM 339 O ARG A 25 17.112 3.353 -1.525 1.00 0.26 O ATOM 340 CB ARG A 25 19.468 2.596 0.408 1.00 0.33 C ATOM 341 CG ARG A 25 20.239 2.572 1.707 1.00 0.40 C ATOM 342 CD ARG A 25 21.418 3.513 1.654 1.00 0.73 C ATOM 343 NE ARG A 25 22.214 3.467 2.879 1.00 0.80 N ATOM 344 CZ ARG A 25 22.598 4.544 3.563 1.00 1.41 C ATOM 345 NH1 ARG A 25 22.245 5.759 3.161 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.330 4.404 4.661 1.00 1.42 N ATOM 0 H ARG A 25 16.778 3.269 1.006 1.00 0.21 H new ATOM 0 HA ARG A 25 19.280 4.720 0.436 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.813 1.726 0.361 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.164 2.516 -0.427 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.581 2.853 2.530 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.587 1.559 1.909 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.048 3.256 0.803 1.00 0.73 H new ATOM 0 HD3 ARG A 25 21.062 4.530 1.491 1.00 0.73 H new ATOM 0 HE ARG A 25 22.493 2.552 3.233 1.00 0.80 H new ATOM 0 HH11 ARG A 25 21.675 5.873 2.323 1.00 2.18 H new ATOM 0 HH12 ARG A 25 22.543 6.578 3.691 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.598 3.473 4.980 1.00 1.42 H new ATOM 0 HH22 ARG A 25 23.625 5.227 5.186 1.00 1.42 H new ATOM 360 N ASP A 26 18.761 4.824 -1.958 1.00 0.23 N ATOM 361 CA ASP A 26 18.339 5.086 -3.324 1.00 0.25 C ATOM 362 C ASP A 26 18.819 3.982 -4.259 1.00 0.24 C ATOM 363 O ASP A 26 19.938 3.476 -4.134 1.00 0.32 O ATOM 364 CB ASP A 26 18.856 6.453 -3.801 1.00 0.31 C ATOM 365 CG ASP A 26 20.350 6.472 -4.055 1.00 0.78 C ATOM 366 OD1 ASP A 26 21.120 6.549 -3.076 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.764 6.404 -5.233 1.00 1.54 O ATOM 0 H ASP A 26 19.594 5.338 -1.672 1.00 0.23 H new ATOM 0 HA ASP A 26 17.249 5.104 -3.343 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.335 6.732 -4.717 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.612 7.207 -3.053 1.00 0.31 H new ATOM 372 N GLY A 27 17.948 3.603 -5.172 1.00 0.24 N ATOM 373 CA GLY A 27 18.241 2.556 -6.121 1.00 0.26 C ATOM 374 C GLY A 27 16.969 1.861 -6.547 1.00 0.21 C ATOM 375 O GLY A 27 15.961 2.516 -6.796 1.00 0.23 O ATOM 0 H GLY A 27 17.020 4.013 -5.274 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.743 2.976 -6.993 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.926 1.834 -5.676 1.00 0.26 H new ATOM 379 N ALA A 28 16.998 0.547 -6.614 1.00 0.19 N ATOM 380 CA ALA A 28 15.805 -0.219 -6.929 1.00 0.18 C ATOM 381 C ALA A 28 15.702 -1.429 -6.009 1.00 0.24 C ATOM 382 O ALA A 28 16.690 -2.124 -5.768 1.00 0.45 O ATOM 383 CB ALA A 28 15.807 -0.648 -8.386 1.00 0.21 C ATOM 0 H ALA A 28 17.834 -0.016 -6.455 1.00 0.19 H new ATOM 0 HA ALA A 28 14.933 0.415 -6.769 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.904 -1.220 -8.598 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.836 0.235 -9.025 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.683 -1.267 -8.582 1.00 0.21 H new ATOM 389 N GLY A 29 14.508 -1.678 -5.502 1.00 0.15 N ATOM 390 CA GLY A 29 14.303 -2.759 -4.573 1.00 0.19 C ATOM 391 C GLY A 29 13.063 -3.539 -4.922 1.00 0.17 C ATOM 392 O GLY A 29 12.341 -3.172 -5.847 1.00 0.21 O ATOM 0 H GLY A 29 13.669 -1.142 -5.722 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.169 -3.421 -4.582 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.216 -2.363 -3.561 1.00 0.19 H new ATOM 396 N SER A 30 12.793 -4.585 -4.173 1.00 0.15 N ATOM 397 CA SER A 30 11.672 -5.453 -4.481 1.00 0.15 C ATOM 398 C SER A 30 10.737 -5.581 -3.287 1.00 0.13 C ATOM 399 O SER A 30 11.178 -5.706 -2.144 1.00 0.14 O ATOM 400 CB SER A 30 12.169 -6.823 -4.931 1.00 0.20 C ATOM 401 OG SER A 30 13.110 -7.361 -4.012 1.00 0.23 O ATOM 0 H SER A 30 13.330 -4.857 -3.349 1.00 0.15 H new ATOM 0 HA SER A 30 11.108 -5.005 -5.299 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.324 -7.504 -5.029 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.627 -6.740 -5.916 1.00 0.20 H new ATOM 0 HG SER A 30 12.642 -7.672 -3.209 1.00 0.23 H new ATOM 407 N TYR A 31 9.445 -5.532 -3.569 1.00 0.13 N ATOM 408 CA TYR A 31 8.416 -5.536 -2.543 1.00 0.11 C ATOM 409 C TYR A 31 7.084 -6.030 -3.117 1.00 0.13 C ATOM 410 O TYR A 31 6.925 -6.137 -4.335 1.00 0.18 O ATOM 411 CB TYR A 31 8.279 -4.138 -1.943 1.00 0.10 C ATOM 412 CG TYR A 31 8.935 -3.036 -2.752 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.346 -2.585 -3.920 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.131 -2.428 -2.337 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.911 -1.573 -4.658 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.698 -1.405 -3.075 1.00 0.09 C ATOM 417 CZ TYR A 31 10.085 -0.983 -4.235 1.00 0.11 C ATOM 418 OH TYR A 31 10.637 0.040 -4.967 1.00 0.13 O ATOM 0 H TYR A 31 9.080 -5.488 -4.520 1.00 0.13 H new ATOM 0 HA TYR A 31 8.706 -6.224 -1.749 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.220 -3.907 -1.831 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.711 -4.143 -0.942 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.425 -3.037 -4.258 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.614 -2.763 -1.431 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.437 -1.239 -5.569 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.615 -0.940 -2.745 1.00 0.09 H new ATOM 0 HH TYR A 31 11.611 -0.063 -4.991 1.00 0.13 H new ATOM 428 N LYS A 32 6.143 -6.342 -2.234 1.00 0.13 N ATOM 429 CA LYS A 32 4.853 -6.912 -2.621 1.00 0.14 C ATOM 430 C LYS A 32 3.703 -6.244 -1.877 1.00 0.14 C ATOM 431 O LYS A 32 3.551 -6.425 -0.669 1.00 0.13 O ATOM 432 CB LYS A 32 4.838 -8.413 -2.318 1.00 0.16 C ATOM 433 CG LYS A 32 5.609 -8.783 -1.074 1.00 0.17 C ATOM 434 CD LYS A 32 6.990 -9.310 -1.414 1.00 0.25 C ATOM 435 CE LYS A 32 6.911 -10.742 -1.892 1.00 0.40 C ATOM 436 NZ LYS A 32 6.417 -11.643 -0.819 1.00 1.26 N ATOM 0 H LYS A 32 6.250 -6.208 -1.229 1.00 0.13 H new ATOM 0 HA LYS A 32 4.721 -6.741 -3.689 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.805 -8.743 -2.208 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.256 -8.952 -3.169 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.700 -7.910 -0.428 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.058 -9.538 -0.514 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.442 -8.688 -2.186 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.634 -9.249 -0.537 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.248 -10.803 -2.755 1.00 0.40 H new ATOM 0 HE3 LYS A 32 7.896 -11.072 -2.222 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 6.902 -12.561 -0.886 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 6.610 -11.216 0.109 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 5.392 -11.784 -0.928 1.00 1.26 H new ATOM 450 N LEU A 33 2.880 -5.495 -2.593 1.00 0.17 N ATOM 451 CA LEU A 33 1.733 -4.842 -1.983 1.00 0.17 C ATOM 452 C LEU A 33 0.465 -5.627 -2.289 1.00 0.19 C ATOM 453 O LEU A 33 0.100 -5.831 -3.449 1.00 0.27 O ATOM 454 CB LEU A 33 1.621 -3.376 -2.451 1.00 0.22 C ATOM 455 CG LEU A 33 0.456 -2.542 -1.871 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.847 -2.839 -2.584 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.297 -2.779 -0.375 1.00 0.49 C ATOM 0 H LEU A 33 2.984 -5.324 -3.593 1.00 0.17 H new ATOM 0 HA LEU A 33 1.870 -4.825 -0.902 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.555 -2.870 -2.206 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.532 -3.373 -3.537 1.00 0.22 H new ATOM 0 HG LEU A 33 0.704 -1.493 -2.031 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.645 -2.235 -2.151 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.745 -2.600 -3.643 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.090 -3.896 -2.472 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.530 -2.178 0.003 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.092 -3.834 -0.194 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.216 -2.495 0.138 1.00 0.49 H new ATOM 469 N ALA A 34 -0.184 -6.084 -1.238 1.00 0.16 N ATOM 470 CA ALA A 34 -1.454 -6.778 -1.357 1.00 0.19 C ATOM 471 C ALA A 34 -2.574 -5.901 -0.817 1.00 0.18 C ATOM 472 O ALA A 34 -2.382 -5.179 0.156 1.00 0.25 O ATOM 473 CB ALA A 34 -1.405 -8.100 -0.605 1.00 0.25 C ATOM 0 H ALA A 34 0.151 -5.986 -0.279 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.647 -6.988 -2.409 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.363 -8.610 -0.703 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.617 -8.727 -1.022 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.200 -7.912 0.449 1.00 0.25 H new ATOM 479 N VAL A 35 -3.732 -5.946 -1.452 1.00 0.16 N ATOM 480 CA VAL A 35 -4.880 -5.186 -0.983 1.00 0.14 C ATOM 481 C VAL A 35 -6.028 -6.128 -0.651 1.00 0.16 C ATOM 482 O VAL A 35 -6.309 -7.074 -1.392 1.00 0.23 O ATOM 483 CB VAL A 35 -5.359 -4.133 -2.011 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.375 -3.193 -1.378 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.187 -3.343 -2.562 1.00 0.21 C ATOM 0 H VAL A 35 -3.903 -6.499 -2.292 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.561 -4.650 -0.089 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.836 -4.660 -2.837 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.701 -2.459 -2.115 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.235 -3.766 -1.032 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.918 -2.679 -0.532 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.549 -2.609 -3.282 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.678 -2.830 -1.746 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.490 -4.021 -3.054 1.00 0.21 H new ATOM 495 N ASP A 36 -6.668 -5.869 0.471 1.00 0.19 N ATOM 496 CA ASP A 36 -7.785 -6.668 0.936 1.00 0.24 C ATOM 497 C ASP A 36 -9.043 -5.819 0.966 1.00 0.25 C ATOM 498 O ASP A 36 -9.151 -4.875 1.744 1.00 0.31 O ATOM 499 CB ASP A 36 -7.475 -7.216 2.332 1.00 0.33 C ATOM 500 CG ASP A 36 -8.692 -7.784 3.035 1.00 1.05 C ATOM 501 OD1 ASP A 36 -9.370 -8.650 2.439 1.00 1.52 O ATOM 502 OD2 ASP A 36 -8.991 -7.359 4.166 1.00 1.67 O ATOM 0 H ASP A 36 -6.427 -5.095 1.090 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.945 -7.505 0.257 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.715 -7.993 2.250 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.050 -6.419 2.942 1.00 0.33 H new ATOM 507 N LYS A 37 -9.991 -6.150 0.116 1.00 0.28 N ATOM 508 CA LYS A 37 -11.211 -5.389 0.015 1.00 0.33 C ATOM 509 C LYS A 37 -12.392 -6.228 0.467 1.00 0.46 C ATOM 510 O LYS A 37 -12.526 -7.383 0.072 1.00 0.63 O ATOM 511 CB LYS A 37 -11.387 -4.897 -1.416 1.00 0.42 C ATOM 512 CG LYS A 37 -12.831 -4.789 -1.834 1.00 0.95 C ATOM 513 CD LYS A 37 -12.987 -4.213 -3.235 1.00 0.77 C ATOM 514 CE LYS A 37 -12.533 -5.182 -4.310 1.00 1.13 C ATOM 515 NZ LYS A 37 -12.839 -4.674 -5.672 1.00 1.34 N ATOM 0 H LYS A 37 -9.936 -6.947 -0.518 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.157 -4.520 0.670 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -10.912 -3.921 -1.519 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -10.869 -5.577 -2.093 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.292 -5.776 -1.796 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.366 -4.159 -1.123 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -14.031 -3.951 -3.403 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.410 -3.291 -3.313 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.460 -5.352 -4.217 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -13.022 -6.145 -4.162 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -12.837 -5.466 -6.346 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.776 -4.222 -5.672 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -12.119 -3.978 -5.953 1.00 1.34 H new ATOM 529 N ALA A 38 -13.228 -5.652 1.309 1.00 0.41 N ATOM 530 CA ALA A 38 -14.397 -6.342 1.813 1.00 0.52 C ATOM 531 C ALA A 38 -15.600 -5.413 1.815 1.00 0.47 C ATOM 532 O ALA A 38 -15.722 -4.534 2.668 1.00 0.43 O ATOM 533 CB ALA A 38 -14.122 -6.874 3.207 1.00 0.60 C ATOM 0 H ALA A 38 -13.117 -4.701 1.660 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.622 -7.184 1.159 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -15.006 -7.392 3.580 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -13.282 -7.568 3.172 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.880 -6.045 3.872 1.00 0.60 H new ATOM 539 N GLY A 39 -16.486 -5.623 0.862 1.00 0.57 N ATOM 540 CA GLY A 39 -17.641 -4.765 0.710 1.00 0.60 C ATOM 541 C GLY A 39 -18.900 -5.565 0.483 1.00 0.81 C ATOM 542 O GLY A 39 -18.938 -6.763 0.776 1.00 0.96 O ATOM 0 H GLY A 39 -16.427 -6.381 0.182 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -17.757 -4.148 1.601 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.484 -4.087 -0.129 1.00 0.60 H new ATOM 546 N ALA A 40 -19.932 -4.919 -0.039 1.00 0.90 N ATOM 547 CA ALA A 40 -21.177 -5.604 -0.355 1.00 1.14 C ATOM 548 C ALA A 40 -20.960 -6.632 -1.463 1.00 1.33 C ATOM 549 O ALA A 40 -21.747 -7.565 -1.625 1.00 1.57 O ATOM 550 CB ALA A 40 -22.247 -4.606 -0.752 1.00 1.24 C ATOM 0 H ALA A 40 -19.932 -3.922 -0.253 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.515 -6.132 0.537 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.171 -5.136 -0.985 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.423 -3.914 0.072 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -21.918 -4.049 -1.629 1.00 1.24 H new ATOM 556 N ALA A 41 -19.875 -6.459 -2.212 1.00 1.28 N ATOM 557 CA ALA A 41 -19.509 -7.395 -3.268 1.00 1.49 C ATOM 558 C ALA A 41 -18.638 -8.529 -2.726 1.00 1.45 C ATOM 559 O ALA A 41 -18.082 -9.325 -3.488 1.00 1.72 O ATOM 560 CB ALA A 41 -18.792 -6.665 -4.393 1.00 1.58 C ATOM 0 H ALA A 41 -19.231 -5.675 -2.106 1.00 1.28 H new ATOM 0 HA ALA A 41 -20.425 -7.836 -3.661 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -18.524 -7.375 -5.175 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -19.449 -5.900 -4.807 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -17.888 -6.196 -4.004 1.00 1.58 H new ATOM 566 N GLY A 42 -18.522 -8.598 -1.407 1.00 1.19 N ATOM 567 CA GLY A 42 -17.747 -9.650 -0.783 1.00 1.21 C ATOM 568 C GLY A 42 -16.310 -9.246 -0.558 1.00 1.01 C ATOM 569 O GLY A 42 -15.965 -8.068 -0.667 1.00 0.86 O ATOM 0 H GLY A 42 -18.953 -7.941 -0.756 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.201 -9.916 0.172 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -17.778 -10.541 -1.410 1.00 1.21 H new ATOM 573 N THR A 43 -15.476 -10.219 -0.235 1.00 1.03 N ATOM 574 CA THR A 43 -14.070 -9.974 -0.016 1.00 0.88 C ATOM 575 C THR A 43 -13.273 -10.295 -1.277 1.00 0.82 C ATOM 576 O THR A 43 -13.485 -11.329 -1.910 1.00 0.92 O ATOM 577 CB THR A 43 -13.540 -10.816 1.157 1.00 0.97 C ATOM 578 OG1 THR A 43 -13.834 -12.201 0.945 1.00 1.14 O ATOM 579 CG2 THR A 43 -14.162 -10.368 2.470 1.00 1.00 C ATOM 0 H THR A 43 -15.756 -11.193 -0.119 1.00 1.03 H new ATOM 0 HA THR A 43 -13.948 -8.919 0.229 1.00 0.88 H new ATOM 0 HB THR A 43 -12.460 -10.675 1.210 1.00 0.97 H new ATOM 0 HG1 THR A 43 -13.490 -12.727 1.697 1.00 1.14 H new ATOM 0 HG21 THR A 43 -13.772 -10.978 3.284 1.00 1.00 H new ATOM 0 HG22 THR A 43 -13.916 -9.322 2.651 1.00 1.00 H new ATOM 0 HG23 THR A 43 -15.245 -10.483 2.418 1.00 1.00 H new ATOM 587 N SER A 44 -12.374 -9.403 -1.647 1.00 0.73 N ATOM 588 CA SER A 44 -11.575 -9.581 -2.843 1.00 0.69 C ATOM 589 C SER A 44 -10.092 -9.484 -2.509 1.00 0.59 C ATOM 590 O SER A 44 -9.675 -8.612 -1.742 1.00 0.60 O ATOM 591 CB SER A 44 -11.957 -8.526 -3.875 1.00 0.72 C ATOM 592 OG SER A 44 -13.354 -8.538 -4.121 1.00 1.15 O ATOM 0 H SER A 44 -12.179 -8.544 -1.133 1.00 0.73 H new ATOM 0 HA SER A 44 -11.768 -10.571 -3.257 1.00 0.69 H new ATOM 0 HB2 SER A 44 -11.655 -7.540 -3.522 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.419 -8.710 -4.805 1.00 0.72 H new ATOM 0 HG SER A 44 -13.539 -8.104 -4.980 1.00 1.15 H new ATOM 598 N ARG A 45 -9.307 -10.382 -3.085 1.00 0.63 N ATOM 599 CA ARG A 45 -7.883 -10.452 -2.798 1.00 0.60 C ATOM 600 C ARG A 45 -7.064 -9.914 -3.965 1.00 0.51 C ATOM 601 O ARG A 45 -7.043 -10.496 -5.050 1.00 0.65 O ATOM 602 CB ARG A 45 -7.489 -11.893 -2.485 1.00 0.78 C ATOM 603 CG ARG A 45 -8.242 -12.460 -1.296 1.00 1.48 C ATOM 604 CD ARG A 45 -8.025 -11.618 -0.050 1.00 1.56 C ATOM 605 NE ARG A 45 -8.774 -12.132 1.096 1.00 1.96 N ATOM 606 CZ ARG A 45 -8.499 -11.834 2.363 1.00 2.32 C ATOM 607 NH1 ARG A 45 -7.452 -11.072 2.661 1.00 2.28 N ATOM 608 NH2 ARG A 45 -9.272 -12.305 3.332 1.00 3.08 N ATOM 0 H ARG A 45 -9.635 -11.076 -3.757 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.672 -9.829 -1.928 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -7.678 -12.515 -3.360 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -6.418 -11.938 -2.287 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -9.307 -12.505 -1.526 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -7.913 -13.482 -1.108 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -6.962 -11.596 0.192 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -8.328 -10.590 -0.250 1.00 1.56 H new ATOM 0 HE ARG A 45 -9.557 -12.759 0.912 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -6.855 -10.712 1.917 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -7.246 -10.847 3.634 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -10.074 -12.893 3.104 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -9.065 -12.079 4.305 1.00 3.08 H new ATOM 622 N ILE A 46 -6.407 -8.787 -3.735 1.00 0.38 N ATOM 623 CA ILE A 46 -5.572 -8.151 -4.744 1.00 0.33 C ATOM 624 C ILE A 46 -4.105 -8.221 -4.327 1.00 0.30 C ATOM 625 O ILE A 46 -3.783 -7.974 -3.168 1.00 0.34 O ATOM 626 CB ILE A 46 -5.967 -6.677 -4.950 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.415 -6.566 -5.431 1.00 0.44 C ATOM 628 CG2 ILE A 46 -5.032 -6.017 -5.947 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.433 -6.471 -4.312 1.00 0.40 C ATOM 0 H ILE A 46 -6.437 -8.288 -2.846 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.719 -8.686 -5.682 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.882 -6.163 -3.993 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.508 -5.687 -6.068 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.649 -7.433 -6.048 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.322 -4.975 -6.084 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -4.009 -6.063 -5.572 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.092 -6.539 -6.902 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.434 -6.395 -4.736 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.370 -7.362 -3.687 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -8.228 -5.588 -3.707 1.00 0.40 H new ATOM 641 N LYS A 47 -3.217 -8.571 -5.254 1.00 0.31 N ATOM 642 CA LYS A 47 -1.788 -8.631 -4.954 1.00 0.38 C ATOM 643 C LYS A 47 -0.944 -8.142 -6.124 1.00 0.41 C ATOM 644 O LYS A 47 -1.074 -8.634 -7.246 1.00 0.51 O ATOM 645 CB LYS A 47 -1.361 -10.043 -4.584 1.00 0.51 C ATOM 646 CG LYS A 47 -1.991 -10.550 -3.304 1.00 0.91 C ATOM 647 CD LYS A 47 -1.233 -11.733 -2.744 1.00 1.56 C ATOM 648 CE LYS A 47 -1.892 -12.270 -1.482 1.00 2.17 C ATOM 649 NZ LYS A 47 -3.259 -12.796 -1.749 1.00 2.74 N ATOM 0 H LYS A 47 -3.459 -8.816 -6.214 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.621 -7.971 -4.103 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -1.621 -10.718 -5.399 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -0.276 -10.071 -4.481 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -2.013 -9.748 -2.566 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -3.025 -10.836 -3.495 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -1.183 -12.523 -3.494 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -0.207 -11.438 -2.523 1.00 1.56 H new ATOM 0 HE2 LYS A 47 -1.274 -13.063 -1.059 1.00 2.17 H new ATOM 0 HE3 LYS A 47 -1.948 -11.477 -0.736 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 -3.579 -13.360 -0.936 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 -3.913 -12.002 -1.899 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 -3.241 -13.394 -2.599 1.00 2.74 H new ATOM 663 N GLN A 48 -0.083 -7.172 -5.858 1.00 0.40 N ATOM 664 CA GLN A 48 0.892 -6.716 -6.839 1.00 0.47 C ATOM 665 C GLN A 48 2.294 -6.821 -6.257 1.00 0.50 C ATOM 666 O GLN A 48 2.626 -6.143 -5.284 1.00 0.78 O ATOM 667 CB GLN A 48 0.613 -5.272 -7.262 1.00 0.52 C ATOM 668 CG GLN A 48 -0.598 -5.116 -8.166 1.00 0.55 C ATOM 669 CD GLN A 48 -0.832 -3.675 -8.576 1.00 0.82 C ATOM 670 OE1 GLN A 48 0.103 -2.879 -8.660 1.00 1.63 O ATOM 671 NE2 GLN A 48 -2.077 -3.334 -8.854 1.00 1.37 N ATOM 0 H GLN A 48 -0.039 -6.682 -4.965 1.00 0.40 H new ATOM 0 HA GLN A 48 0.813 -7.351 -7.721 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.468 -4.664 -6.369 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.490 -4.879 -7.776 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.463 -5.727 -9.058 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.482 -5.493 -7.652 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -2.825 -4.023 -8.772 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -2.291 -2.382 -9.150 1.00 1.37 H new ATOM 680 N ALA A 49 3.115 -7.664 -6.858 1.00 0.32 N ATOM 681 CA ALA A 49 4.460 -7.894 -6.362 1.00 0.31 C ATOM 682 C ALA A 49 5.484 -7.720 -7.469 1.00 0.31 C ATOM 683 O ALA A 49 5.175 -7.889 -8.651 1.00 0.39 O ATOM 684 CB ALA A 49 4.566 -9.282 -5.751 1.00 0.33 C ATOM 0 H ALA A 49 2.873 -8.201 -7.691 1.00 0.32 H new ATOM 0 HA ALA A 49 4.670 -7.155 -5.589 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.580 -9.441 -5.383 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.862 -9.370 -4.924 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.333 -10.031 -6.507 1.00 0.33 H new ATOM 690 N GLY A 50 6.694 -7.358 -7.083 1.00 0.25 N ATOM 691 CA GLY A 50 7.761 -7.177 -8.040 1.00 0.26 C ATOM 692 C GLY A 50 8.842 -6.283 -7.498 1.00 0.23 C ATOM 693 O GLY A 50 9.148 -6.325 -6.303 1.00 0.25 O ATOM 0 H GLY A 50 6.959 -7.185 -6.113 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.186 -8.146 -8.300 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.359 -6.748 -8.958 1.00 0.26 H new ATOM 697 N ALA A 51 9.406 -5.462 -8.359 1.00 0.23 N ATOM 698 CA ALA A 51 10.457 -4.556 -7.965 1.00 0.21 C ATOM 699 C ALA A 51 10.232 -3.194 -8.594 1.00 0.23 C ATOM 700 O ALA A 51 9.679 -3.091 -9.688 1.00 0.38 O ATOM 701 CB ALA A 51 11.810 -5.113 -8.360 1.00 0.23 C ATOM 0 H ALA A 51 9.149 -5.406 -9.344 1.00 0.23 H new ATOM 0 HA ALA A 51 10.439 -4.444 -6.881 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.593 -4.418 -8.056 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.966 -6.073 -7.868 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.846 -5.249 -9.441 1.00 0.23 H new ATOM 707 N PHE A 52 10.652 -2.158 -7.899 1.00 0.15 N ATOM 708 CA PHE A 52 10.478 -0.797 -8.366 1.00 0.16 C ATOM 709 C PHE A 52 11.634 0.061 -7.860 1.00 0.14 C ATOM 710 O PHE A 52 12.442 -0.391 -7.042 1.00 0.16 O ATOM 711 CB PHE A 52 9.121 -0.257 -7.896 1.00 0.17 C ATOM 712 CG PHE A 52 8.778 1.123 -8.386 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.614 1.382 -9.736 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.624 2.163 -7.485 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.305 2.654 -10.178 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.316 3.437 -7.919 1.00 0.18 C ATOM 717 CZ PHE A 52 8.154 3.683 -9.268 1.00 0.23 C ATOM 0 H PHE A 52 11.122 -2.234 -6.997 1.00 0.15 H new ATOM 0 HA PHE A 52 10.486 -0.769 -9.456 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.341 -0.945 -8.222 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.107 -0.252 -6.806 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.729 0.581 -10.451 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.746 1.975 -6.429 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.182 2.844 -11.234 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.202 4.239 -7.205 1.00 0.18 H new ATOM 0 HZ PHE A 52 7.910 4.677 -9.611 1.00 0.23 H new ATOM 727 N THR A 53 11.712 1.285 -8.341 1.00 0.15 N ATOM 728 CA THR A 53 12.816 2.165 -8.023 1.00 0.16 C ATOM 729 C THR A 53 12.525 2.962 -6.761 1.00 0.16 C ATOM 730 O THR A 53 11.519 3.670 -6.681 1.00 0.27 O ATOM 731 CB THR A 53 13.082 3.127 -9.175 1.00 0.21 C ATOM 732 OG1 THR A 53 12.366 2.696 -10.342 1.00 0.43 O ATOM 733 CG2 THR A 53 14.568 3.189 -9.479 1.00 0.40 C ATOM 0 H THR A 53 11.014 1.696 -8.961 1.00 0.15 H new ATOM 0 HA THR A 53 13.698 1.546 -7.858 1.00 0.16 H new ATOM 0 HB THR A 53 12.741 4.121 -8.887 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.538 3.318 -11.080 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.742 3.880 -10.304 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.106 3.535 -8.596 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.925 2.197 -9.756 1.00 0.40 H new ATOM 741 N ALA A 54 13.406 2.857 -5.784 1.00 0.13 N ATOM 742 CA ALA A 54 13.190 3.503 -4.508 1.00 0.13 C ATOM 743 C ALA A 54 14.302 4.497 -4.204 1.00 0.14 C ATOM 744 O ALA A 54 15.455 4.285 -4.564 1.00 0.23 O ATOM 745 CB ALA A 54 13.066 2.465 -3.402 1.00 0.15 C ATOM 0 H ALA A 54 14.277 2.330 -5.852 1.00 0.13 H new ATOM 0 HA ALA A 54 12.255 4.060 -4.560 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.904 2.967 -2.448 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.223 1.807 -3.614 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.982 1.876 -3.351 1.00 0.15 H new ATOM 751 N ILE A 55 13.946 5.590 -3.554 1.00 0.17 N ATOM 752 CA ILE A 55 14.901 6.639 -3.235 1.00 0.18 C ATOM 753 C ILE A 55 15.109 6.743 -1.738 1.00 0.16 C ATOM 754 O ILE A 55 14.162 6.633 -0.961 1.00 0.14 O ATOM 755 CB ILE A 55 14.441 7.986 -3.788 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.493 7.946 -5.310 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.288 9.119 -3.239 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.506 8.885 -5.917 1.00 0.33 C ATOM 0 H ILE A 55 12.996 5.776 -3.234 1.00 0.17 H new ATOM 0 HA ILE A 55 15.848 6.374 -3.704 1.00 0.18 H new ATOM 0 HB ILE A 55 13.414 8.172 -3.472 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.720 6.929 -5.628 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.506 8.190 -5.703 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.938 10.066 -3.649 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.205 9.142 -2.152 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.330 8.964 -3.520 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.480 8.796 -7.003 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.269 9.910 -5.631 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.502 8.629 -5.556 1.00 0.33 H new ATOM 770 N ALA A 56 16.360 6.961 -1.357 1.00 0.17 N ATOM 771 CA ALA A 56 16.746 7.027 0.046 1.00 0.18 C ATOM 772 C ALA A 56 16.037 8.152 0.778 1.00 0.17 C ATOM 773 O ALA A 56 16.105 9.314 0.372 1.00 0.20 O ATOM 774 CB ALA A 56 18.245 7.172 0.198 1.00 0.22 C ATOM 0 H ALA A 56 17.133 7.097 -2.008 1.00 0.17 H new ATOM 0 HA ALA A 56 16.439 6.085 0.499 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.501 7.218 1.257 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.741 6.315 -0.258 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.574 8.087 -0.295 1.00 0.22 H new ATOM 780 N GLU A 57 15.344 7.776 1.852 1.00 0.16 N ATOM 781 CA GLU A 57 14.626 8.708 2.704 1.00 0.18 C ATOM 782 C GLU A 57 13.499 9.368 1.926 1.00 0.19 C ATOM 783 O GLU A 57 13.054 10.470 2.244 1.00 0.28 O ATOM 784 CB GLU A 57 15.590 9.732 3.285 1.00 0.23 C ATOM 785 CG GLU A 57 16.714 9.093 4.088 1.00 0.27 C ATOM 786 CD GLU A 57 17.773 10.087 4.506 1.00 0.74 C ATOM 787 OE1 GLU A 57 18.722 10.311 3.726 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.664 10.652 5.615 1.00 0.75 O ATOM 0 H GLU A 57 15.268 6.805 2.154 1.00 0.16 H new ATOM 0 HA GLU A 57 14.177 8.167 3.537 1.00 0.18 H new ATOM 0 HB2 GLU A 57 16.018 10.322 2.475 1.00 0.23 H new ATOM 0 HB3 GLU A 57 15.039 10.421 3.925 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.296 8.619 4.976 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.176 8.305 3.494 1.00 0.27 H new ATOM 795 N GLN A 58 13.056 8.661 0.899 1.00 0.16 N ATOM 796 CA GLN A 58 11.937 9.056 0.091 1.00 0.18 C ATOM 797 C GLN A 58 10.850 8.026 0.194 1.00 0.17 C ATOM 798 O GLN A 58 11.112 6.841 0.404 1.00 0.19 O ATOM 799 CB GLN A 58 12.333 9.217 -1.355 1.00 0.20 C ATOM 800 CG GLN A 58 12.509 10.661 -1.766 1.00 0.28 C ATOM 801 CD GLN A 58 11.775 11.631 -0.863 1.00 0.70 C ATOM 802 OE1 GLN A 58 12.319 12.113 0.127 1.00 1.38 O ATOM 803 NE2 GLN A 58 10.531 11.922 -1.197 1.00 1.48 N ATOM 0 H GLN A 58 13.480 7.781 0.606 1.00 0.16 H new ATOM 0 HA GLN A 58 11.579 10.017 0.460 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.264 8.679 -1.532 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.574 8.756 -1.987 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.571 10.906 -1.765 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.154 10.787 -2.789 1.00 0.28 H new ATOM 0 HE21 GLN A 58 10.114 11.501 -2.027 1.00 1.48 H new ATOM 0 HE22 GLN A 58 9.987 12.568 -0.625 1.00 1.48 H new ATOM 812 N ARG A 59 9.641 8.489 0.054 1.00 0.16 N ATOM 813 CA ARG A 59 8.493 7.614 0.078 1.00 0.17 C ATOM 814 C ARG A 59 8.164 7.123 -1.320 1.00 0.17 C ATOM 815 O ARG A 59 8.020 7.913 -2.255 1.00 0.22 O ATOM 816 CB ARG A 59 7.280 8.298 0.677 1.00 0.24 C ATOM 817 CG ARG A 59 7.177 8.117 2.179 1.00 0.30 C ATOM 818 CD ARG A 59 8.083 9.051 2.923 1.00 0.44 C ATOM 819 NE ARG A 59 8.145 8.731 4.347 1.00 1.37 N ATOM 820 CZ ARG A 59 9.023 9.262 5.197 1.00 1.72 C ATOM 821 NH1 ARG A 59 9.879 10.187 4.782 1.00 1.51 N ATOM 822 NH2 ARG A 59 9.039 8.868 6.463 1.00 2.72 N ATOM 0 H ARG A 59 9.419 9.476 -0.079 1.00 0.16 H new ATOM 0 HA ARG A 59 8.750 6.762 0.708 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.320 9.363 0.447 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.379 7.904 0.207 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.147 8.284 2.494 1.00 0.30 H new ATOM 0 HG3 ARG A 59 7.426 7.088 2.438 1.00 0.30 H new ATOM 0 HD2 ARG A 59 9.085 9.002 2.496 1.00 0.44 H new ATOM 0 HD3 ARG A 59 7.732 10.075 2.796 1.00 0.44 H new ATOM 0 HE ARG A 59 7.473 8.058 4.714 1.00 1.37 H new ATOM 0 HH11 ARG A 59 9.866 10.494 3.809 1.00 1.51 H new ATOM 0 HH12 ARG A 59 10.550 10.591 5.436 1.00 1.51 H new ATOM 0 HH21 ARG A 59 8.380 8.159 6.785 1.00 2.72 H new ATOM 0 HH22 ARG A 59 9.711 9.274 7.115 1.00 2.72 H new ATOM 836 N VAL A 60 8.059 5.820 -1.451 1.00 0.13 N ATOM 837 CA VAL A 60 7.738 5.191 -2.708 1.00 0.14 C ATOM 838 C VAL A 60 6.449 4.407 -2.566 1.00 0.13 C ATOM 839 O VAL A 60 6.419 3.377 -1.906 1.00 0.12 O ATOM 840 CB VAL A 60 8.893 4.256 -3.137 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.485 3.364 -4.297 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.105 5.090 -3.506 1.00 0.15 C ATOM 0 H VAL A 60 8.195 5.164 -0.682 1.00 0.13 H new ATOM 0 HA VAL A 60 7.606 5.955 -3.474 1.00 0.14 H new ATOM 0 HB VAL A 60 9.141 3.605 -2.299 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.320 2.720 -4.572 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.635 2.749 -4.002 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.206 3.982 -5.151 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.920 4.433 -3.809 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.851 5.756 -4.330 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.416 5.681 -2.644 1.00 0.15 H new ATOM 852 N THR A 61 5.381 4.876 -3.184 1.00 0.15 N ATOM 853 CA THR A 61 4.111 4.209 -3.011 1.00 0.15 C ATOM 854 C THR A 61 3.947 3.099 -4.026 1.00 0.16 C ATOM 855 O THR A 61 4.128 3.295 -5.229 1.00 0.19 O ATOM 856 CB THR A 61 2.915 5.170 -3.070 1.00 0.17 C ATOM 857 OG1 THR A 61 3.258 6.437 -2.493 1.00 0.19 O ATOM 858 CG2 THR A 61 1.754 4.568 -2.309 1.00 0.19 C ATOM 0 H THR A 61 5.368 5.694 -3.794 1.00 0.15 H new ATOM 0 HA THR A 61 4.121 3.781 -2.009 1.00 0.15 H new ATOM 0 HB THR A 61 2.638 5.325 -4.113 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.485 7.038 -2.540 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.902 5.247 -2.348 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.479 3.614 -2.760 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.043 4.408 -1.270 1.00 0.19 H new ATOM 866 N VAL A 62 3.606 1.932 -3.522 1.00 0.15 N ATOM 867 CA VAL A 62 3.660 0.721 -4.297 1.00 0.15 C ATOM 868 C VAL A 62 2.320 -0.005 -4.338 1.00 0.15 C ATOM 869 O VAL A 62 1.584 -0.018 -3.352 1.00 0.16 O ATOM 870 CB VAL A 62 4.770 -0.194 -3.723 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.521 -1.673 -3.999 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.123 0.246 -4.263 1.00 0.16 C ATOM 0 H VAL A 62 3.284 1.801 -2.563 1.00 0.15 H new ATOM 0 HA VAL A 62 3.894 0.984 -5.329 1.00 0.15 H new ATOM 0 HB VAL A 62 4.759 -0.086 -2.638 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.332 -2.264 -3.573 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.576 -1.974 -3.546 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.477 -1.840 -5.075 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.903 -0.399 -3.858 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.121 0.175 -5.351 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.315 1.277 -3.967 1.00 0.16 H new ATOM 882 N GLY A 63 2.010 -0.587 -5.497 1.00 0.18 N ATOM 883 CA GLY A 63 0.815 -1.392 -5.639 1.00 0.21 C ATOM 884 C GLY A 63 -0.414 -0.559 -5.917 1.00 0.20 C ATOM 885 O GLY A 63 -1.239 -0.352 -5.036 1.00 0.28 O ATOM 0 H GLY A 63 2.573 -0.511 -6.344 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.957 -2.107 -6.450 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.660 -1.970 -4.728 1.00 0.21 H new ATOM 889 N ASN A 64 -0.541 -0.088 -7.149 1.00 0.33 N ATOM 890 CA ASN A 64 -1.658 0.765 -7.526 1.00 0.40 C ATOM 891 C ASN A 64 -2.895 -0.065 -7.810 1.00 0.37 C ATOM 892 O ASN A 64 -3.003 -0.739 -8.836 1.00 0.52 O ATOM 893 CB ASN A 64 -1.290 1.627 -8.742 1.00 0.67 C ATOM 894 CG ASN A 64 -0.633 0.833 -9.857 1.00 1.31 C ATOM 895 OD1 ASN A 64 -1.302 0.318 -10.752 1.00 2.17 O ATOM 896 ND2 ASN A 64 0.687 0.733 -9.813 1.00 1.98 N ATOM 0 H ASN A 64 0.116 -0.282 -7.905 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.880 1.429 -6.690 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -2.191 2.106 -9.127 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.616 2.423 -8.425 1.00 0.67 H new ATOM 0 HD21 ASN A 64 1.184 0.215 -10.538 1.00 1.98 H new ATOM 0 HD22 ASN A 64 1.207 1.174 -9.054 1.00 1.98 H new ATOM 903 N VAL A 65 -3.833 -0.002 -6.886 1.00 0.25 N ATOM 904 CA VAL A 65 -5.103 -0.683 -7.036 1.00 0.33 C ATOM 905 C VAL A 65 -6.238 0.301 -6.812 1.00 0.27 C ATOM 906 O VAL A 65 -6.342 0.905 -5.747 1.00 0.35 O ATOM 907 CB VAL A 65 -5.234 -1.854 -6.047 1.00 0.43 C ATOM 908 CG1 VAL A 65 -6.506 -2.647 -6.314 1.00 1.29 C ATOM 909 CG2 VAL A 65 -4.007 -2.750 -6.117 1.00 1.10 C ATOM 0 H VAL A 65 -3.737 0.520 -6.015 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.153 -1.087 -8.047 1.00 0.33 H new ATOM 0 HB VAL A 65 -5.300 -1.447 -5.038 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -6.578 -3.470 -5.603 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -7.372 -1.994 -6.202 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -6.480 -3.045 -7.328 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -4.117 -3.573 -5.411 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -3.905 -3.149 -7.126 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -3.119 -2.171 -5.864 1.00 1.10 H new ATOM 919 N VAL A 66 -7.070 0.484 -7.819 1.00 0.25 N ATOM 920 CA VAL A 66 -8.157 1.438 -7.724 1.00 0.23 C ATOM 921 C VAL A 66 -9.476 0.729 -7.475 1.00 0.24 C ATOM 922 O VAL A 66 -9.918 -0.101 -8.271 1.00 0.27 O ATOM 923 CB VAL A 66 -8.262 2.314 -8.987 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.389 3.327 -8.845 1.00 0.30 C ATOM 925 CG2 VAL A 66 -6.941 3.019 -9.247 1.00 0.29 C ATOM 0 H VAL A 66 -7.015 -0.013 -8.708 1.00 0.25 H new ATOM 0 HA VAL A 66 -7.938 2.090 -6.879 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.488 1.671 -9.838 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.447 3.936 -9.747 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.333 2.803 -8.700 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.195 3.969 -7.986 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.027 3.635 -10.142 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.692 3.651 -8.394 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.155 2.278 -9.391 1.00 0.29 H new ATOM 935 N LEU A 67 -10.083 1.054 -6.351 1.00 0.22 N ATOM 936 CA LEU A 67 -11.352 0.478 -5.956 1.00 0.23 C ATOM 937 C LEU A 67 -12.449 1.507 -6.173 1.00 0.24 C ATOM 938 O LEU A 67 -12.167 2.699 -6.318 1.00 0.26 O ATOM 939 CB LEU A 67 -11.347 0.093 -4.470 1.00 0.21 C ATOM 940 CG LEU A 67 -10.182 -0.767 -3.951 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.967 -1.993 -4.829 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.894 0.043 -3.818 1.00 0.18 C ATOM 0 H LEU A 67 -9.708 1.728 -5.683 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.523 -0.416 -6.556 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.368 1.013 -3.886 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.275 -0.439 -4.260 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.456 -1.110 -2.953 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.137 -2.581 -4.436 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.872 -2.601 -4.833 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.738 -1.676 -5.846 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.096 -0.601 -3.449 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.615 0.445 -4.792 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.051 0.864 -3.118 1.00 0.18 H new ATOM 954 N ASP A 68 -13.692 1.060 -6.204 1.00 0.26 N ATOM 955 CA ASP A 68 -14.812 1.986 -6.162 1.00 0.28 C ATOM 956 C ASP A 68 -14.929 2.519 -4.739 1.00 0.28 C ATOM 957 O ASP A 68 -14.922 1.754 -3.779 1.00 0.30 O ATOM 958 CB ASP A 68 -16.120 1.318 -6.621 1.00 0.32 C ATOM 959 CG ASP A 68 -16.584 0.193 -5.714 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.066 -0.937 -5.841 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.490 0.425 -4.889 1.00 1.25 O ATOM 0 H ASP A 68 -13.951 0.075 -6.257 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.634 2.809 -6.854 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.903 2.074 -6.676 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -15.983 0.927 -7.629 1.00 0.32 H new ATOM 966 N TYR A 69 -14.992 3.829 -4.600 1.00 0.28 N ATOM 967 CA TYR A 69 -14.910 4.452 -3.284 1.00 0.27 C ATOM 968 C TYR A 69 -16.209 4.326 -2.508 1.00 0.27 C ATOM 969 O TYR A 69 -17.280 4.668 -3.004 1.00 0.30 O ATOM 970 CB TYR A 69 -14.527 5.925 -3.403 1.00 0.29 C ATOM 971 CG TYR A 69 -14.851 6.717 -2.164 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.260 6.408 -0.949 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.759 7.764 -2.212 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.574 7.124 0.196 1.00 0.27 C ATOM 975 CE2 TYR A 69 -16.074 8.483 -1.081 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.482 8.158 0.119 1.00 0.30 C ATOM 977 OH TYR A 69 -15.811 8.863 1.246 1.00 0.33 O ATOM 0 H TYR A 69 -15.099 4.484 -5.375 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.135 3.919 -2.734 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.459 6.002 -3.608 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.048 6.363 -4.255 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.546 5.600 -0.893 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.226 8.019 -3.151 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -14.111 6.874 1.139 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.781 9.297 -1.135 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.463 9.558 1.018 1.00 0.33 H new ATOM 987 N SER A 70 -16.101 3.826 -1.288 1.00 0.25 N ATOM 988 CA SER A 70 -17.216 3.849 -0.362 1.00 0.27 C ATOM 989 C SER A 70 -16.697 4.120 1.043 1.00 0.29 C ATOM 990 O SER A 70 -15.820 3.412 1.538 1.00 0.28 O ATOM 991 CB SER A 70 -18.002 2.538 -0.428 1.00 0.30 C ATOM 992 OG SER A 70 -17.294 1.565 -1.177 1.00 0.99 O ATOM 0 H SER A 70 -15.251 3.400 -0.918 1.00 0.25 H new ATOM 0 HA SER A 70 -17.903 4.649 -0.640 1.00 0.27 H new ATOM 0 HB2 SER A 70 -18.184 2.166 0.580 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.977 2.715 -0.883 1.00 0.30 H new ATOM 0 HG SER A 70 -17.835 1.287 -1.946 1.00 0.99 H new ATOM 998 N SER A 71 -17.223 5.164 1.669 1.00 0.36 N ATOM 999 CA SER A 71 -16.755 5.600 2.977 1.00 0.42 C ATOM 1000 C SER A 71 -16.990 4.536 4.042 1.00 0.43 C ATOM 1001 O SER A 71 -16.293 4.494 5.054 1.00 0.50 O ATOM 1002 CB SER A 71 -17.443 6.898 3.369 1.00 0.50 C ATOM 1003 OG SER A 71 -18.855 6.790 3.258 1.00 0.54 O ATOM 0 H SER A 71 -17.981 5.729 1.287 1.00 0.36 H new ATOM 0 HA SER A 71 -15.680 5.767 2.909 1.00 0.42 H new ATOM 0 HB2 SER A 71 -17.176 7.158 4.393 1.00 0.50 H new ATOM 0 HB3 SER A 71 -17.087 7.707 2.731 1.00 0.50 H new ATOM 0 HG SER A 71 -19.269 7.639 3.518 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.963 3.672 3.796 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.311 2.623 4.739 1.00 0.43 C ATOM 1011 C ALA A 72 -17.688 1.290 4.346 1.00 0.40 C ATOM 1012 O ALA A 72 -17.876 0.283 5.028 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.815 2.487 4.818 1.00 0.47 C ATOM 0 H ALA A 72 -18.528 3.678 2.946 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.916 2.901 5.716 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -20.072 1.699 5.526 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.249 3.430 5.151 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.210 2.233 3.834 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.946 1.281 3.249 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.375 0.040 2.737 1.00 0.30 C ATOM 1021 C ASN A 73 -15.127 -0.338 3.519 1.00 0.33 C ATOM 1022 O ASN A 73 -14.452 0.522 4.093 1.00 0.47 O ATOM 1023 CB ASN A 73 -16.028 0.170 1.258 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.225 -1.139 0.515 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -15.931 -2.210 1.034 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.755 -1.062 -0.691 1.00 0.95 N ATOM 0 H ASN A 73 -16.725 2.111 2.698 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.124 -0.743 2.856 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.650 0.942 0.805 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.992 0.494 1.155 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -16.933 -1.913 -1.225 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -16.986 -0.152 -1.089 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.825 -1.625 3.548 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.626 -2.108 4.201 1.00 0.35 C ATOM 1035 C ARG A 74 -12.535 -2.317 3.169 1.00 0.27 C ATOM 1036 O ARG A 74 -12.600 -3.235 2.352 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.913 -3.417 4.934 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.912 -3.282 6.072 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.327 -2.519 7.247 1.00 1.02 C ATOM 1040 NE ARG A 74 -13.176 -3.210 7.832 1.00 1.49 N ATOM 1041 CZ ARG A 74 -12.564 -2.828 8.952 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.002 -1.773 9.633 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -11.512 -3.505 9.393 1.00 2.50 N ATOM 0 H ARG A 74 -15.398 -2.355 3.124 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.295 -1.368 4.930 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.290 -4.147 4.218 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.978 -3.812 5.330 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.805 -2.769 5.713 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -15.224 -4.273 6.401 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -14.024 -1.525 6.919 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -15.094 -2.383 8.009 1.00 1.02 H new ATOM 0 HE ARG A 74 -12.820 -4.036 7.351 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -13.812 -1.250 9.299 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -12.528 -1.486 10.490 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -11.174 -4.316 8.875 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -11.041 -3.215 10.250 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.540 -1.455 3.203 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.389 -1.585 2.337 1.00 0.14 C ATOM 1059 C TYR A 75 -9.135 -1.620 3.175 1.00 0.13 C ATOM 1060 O TYR A 75 -8.865 -0.696 3.937 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.307 -0.436 1.340 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.436 -0.412 0.350 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.751 -1.544 -0.372 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.185 0.738 0.133 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.776 -1.541 -1.283 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.219 0.749 -0.783 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.509 -0.398 -1.490 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.534 -0.408 -2.404 1.00 0.35 O ATOM 0 H TYR A 75 -11.507 -0.650 3.828 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.490 -2.512 1.773 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.295 0.507 1.887 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.363 -0.503 0.799 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.181 -2.448 -0.217 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.956 1.636 0.688 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -13.007 -2.438 -1.838 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.795 1.648 -0.944 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.796 0.513 -2.611 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.400 -2.695 3.054 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.159 -2.859 3.776 1.00 0.13 C ATOM 1080 C ALA A 76 -6.057 -3.233 2.818 1.00 0.12 C ATOM 1081 O ALA A 76 -6.309 -3.541 1.659 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.282 -3.899 4.867 1.00 0.16 C ATOM 0 H ALA A 76 -8.642 -3.483 2.453 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.918 -1.909 4.254 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.329 -3.994 5.388 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.053 -3.595 5.574 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.552 -4.859 4.426 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.843 -3.192 3.298 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.694 -3.440 2.469 1.00 0.13 C ATOM 1090 C ALA A 77 -2.622 -4.107 3.288 1.00 0.14 C ATOM 1091 O ALA A 77 -2.685 -4.101 4.505 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.187 -2.144 1.871 1.00 0.12 C ATOM 0 H ALA A 77 -4.623 -2.986 4.272 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.975 -4.101 1.649 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.317 -2.347 1.246 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.972 -1.692 1.265 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.907 -1.459 2.671 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.664 -4.698 2.624 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.556 -5.338 3.290 1.00 0.16 C ATOM 1100 C ARG A 78 0.628 -5.392 2.351 1.00 0.14 C ATOM 1101 O ARG A 78 0.579 -6.059 1.322 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.963 -6.739 3.743 1.00 0.23 C ATOM 1103 CG ARG A 78 0.132 -7.510 4.461 1.00 0.56 C ATOM 1104 CD ARG A 78 0.866 -8.454 3.522 1.00 1.56 C ATOM 1105 NE ARG A 78 1.836 -9.285 4.233 1.00 2.06 N ATOM 1106 CZ ARG A 78 2.624 -10.184 3.644 1.00 2.77 C ATOM 1107 NH1 ARG A 78 2.546 -10.388 2.332 1.00 3.25 N ATOM 1108 NH2 ARG A 78 3.484 -10.884 4.369 1.00 3.35 N ATOM 0 H ARG A 78 -1.628 -4.750 1.606 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.273 -4.766 4.174 1.00 0.16 H new ATOM 0 HB2 ARG A 78 -1.826 -6.657 4.404 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.282 -7.311 2.872 1.00 0.23 H new ATOM 0 HG2 ARG A 78 0.842 -6.809 4.900 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -0.303 -8.080 5.282 1.00 0.56 H new ATOM 0 HD2 ARG A 78 0.145 -9.093 3.013 1.00 1.56 H new ATOM 0 HD3 ARG A 78 1.378 -7.876 2.753 1.00 1.56 H new ATOM 0 HE ARG A 78 1.915 -9.170 5.243 1.00 2.06 H new ATOM 0 HH11 ARG A 78 1.881 -9.855 1.772 1.00 3.25 H new ATOM 0 HH12 ARG A 78 3.151 -11.077 1.886 1.00 3.25 H new ATOM 0 HH21 ARG A 78 3.542 -10.734 5.376 1.00 3.35 H new ATOM 0 HH22 ARG A 78 4.088 -11.573 3.920 1.00 3.35 H new ATOM 1122 N LEU A 79 1.690 -4.694 2.696 1.00 0.17 N ATOM 1123 CA LEU A 79 2.859 -4.668 1.845 1.00 0.15 C ATOM 1124 C LEU A 79 4.013 -5.363 2.528 1.00 0.15 C ATOM 1125 O LEU A 79 4.395 -5.009 3.636 1.00 0.22 O ATOM 1126 CB LEU A 79 3.254 -3.235 1.479 1.00 0.16 C ATOM 1127 CG LEU A 79 3.925 -3.078 0.105 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.144 -1.613 -0.220 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.236 -3.854 0.036 1.00 0.16 C ATOM 0 H LEU A 79 1.767 -4.143 3.551 1.00 0.17 H new ATOM 0 HA LEU A 79 2.613 -5.195 0.923 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.361 -2.610 1.504 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.931 -2.854 2.243 1.00 0.16 H new ATOM 0 HG LEU A 79 3.254 -3.498 -0.645 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.620 -1.524 -1.197 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.184 -1.096 -0.236 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.785 -1.164 0.538 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.685 -3.722 -0.948 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.919 -3.482 0.800 1.00 0.16 H new ATOM 0 HD23 LEU A 79 5.042 -4.913 0.207 1.00 0.16 H new ATOM 1141 N ASP A 80 4.545 -6.356 1.856 1.00 0.12 N ATOM 1142 CA ASP A 80 5.717 -7.066 2.316 1.00 0.12 C ATOM 1143 C ASP A 80 6.922 -6.609 1.510 1.00 0.11 C ATOM 1144 O ASP A 80 6.956 -6.753 0.299 1.00 0.15 O ATOM 1145 CB ASP A 80 5.480 -8.570 2.169 1.00 0.15 C ATOM 1146 CG ASP A 80 6.698 -9.425 2.480 1.00 1.16 C ATOM 1147 OD1 ASP A 80 7.252 -9.296 3.595 1.00 1.06 O ATOM 1148 OD2 ASP A 80 7.148 -10.173 1.593 1.00 2.22 O ATOM 0 H ASP A 80 4.175 -6.697 0.969 1.00 0.12 H new ATOM 0 HA ASP A 80 5.910 -6.853 3.367 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.665 -8.864 2.830 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.155 -8.778 1.150 1.00 0.15 H new ATOM 1153 N VAL A 81 7.883 -5.995 2.153 1.00 0.09 N ATOM 1154 CA VAL A 81 9.068 -5.571 1.443 1.00 0.10 C ATOM 1155 C VAL A 81 10.193 -6.543 1.733 1.00 0.12 C ATOM 1156 O VAL A 81 10.760 -6.543 2.820 1.00 0.13 O ATOM 1157 CB VAL A 81 9.508 -4.145 1.822 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.595 -3.665 0.883 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.331 -3.183 1.817 1.00 0.09 C ATOM 0 H VAL A 81 7.872 -5.779 3.150 1.00 0.09 H new ATOM 0 HA VAL A 81 8.829 -5.561 0.379 1.00 0.10 H new ATOM 0 HB VAL A 81 9.907 -4.173 2.836 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.897 -2.656 1.162 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.454 -4.332 0.950 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.217 -3.661 -0.139 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.675 -2.185 2.089 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.888 -3.155 0.822 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.584 -3.518 2.537 1.00 0.09 H new ATOM 1169 N SER A 82 10.502 -7.361 0.752 1.00 0.14 N ATOM 1170 CA SER A 82 11.539 -8.360 0.876 1.00 0.17 C ATOM 1171 C SER A 82 12.565 -8.167 -0.235 1.00 0.20 C ATOM 1172 O SER A 82 12.298 -8.462 -1.404 1.00 0.25 O ATOM 1173 CB SER A 82 10.920 -9.760 0.805 1.00 0.21 C ATOM 1174 OG SER A 82 10.139 -9.912 -0.370 1.00 0.82 O ATOM 0 H SER A 82 10.040 -7.352 -0.157 1.00 0.14 H new ATOM 0 HA SER A 82 12.040 -8.253 1.838 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.709 -10.512 0.821 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.298 -9.932 1.684 1.00 0.21 H new ATOM 0 HG SER A 82 10.592 -9.477 -1.122 1.00 0.82 H new ATOM 1180 N PHE A 83 13.724 -7.651 0.126 1.00 0.21 N ATOM 1181 CA PHE A 83 14.754 -7.342 -0.848 1.00 0.24 C ATOM 1182 C PHE A 83 16.137 -7.516 -0.237 1.00 0.24 C ATOM 1183 O PHE A 83 16.614 -6.655 0.507 1.00 0.23 O ATOM 1184 CB PHE A 83 14.567 -5.912 -1.373 1.00 0.26 C ATOM 1185 CG PHE A 83 15.717 -5.411 -2.201 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.143 -6.108 -3.319 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.379 -4.247 -1.848 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.206 -5.652 -4.071 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.444 -3.785 -2.596 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.858 -4.489 -3.710 1.00 0.34 C ATOM 0 H PHE A 83 13.977 -7.436 1.090 1.00 0.21 H new ATOM 0 HA PHE A 83 14.666 -8.034 -1.685 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.657 -5.871 -1.971 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.422 -5.241 -0.526 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.638 -7.018 -3.605 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.059 -3.694 -0.977 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.528 -6.204 -4.942 1.00 0.34 H new ATOM 0 HE2 PHE A 83 17.952 -2.876 -2.311 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.690 -4.131 -4.298 1.00 0.34 H new ATOM 1200 N GLY A 84 16.765 -8.638 -0.543 1.00 0.30 N ATOM 1201 CA GLY A 84 18.091 -8.906 -0.037 1.00 0.34 C ATOM 1202 C GLY A 84 18.109 -9.059 1.467 1.00 0.34 C ATOM 1203 O GLY A 84 17.696 -10.088 2.002 1.00 0.41 O ATOM 0 H GLY A 84 16.377 -9.372 -1.136 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.477 -9.816 -0.498 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.759 -8.095 -0.326 1.00 0.34 H new ATOM 1207 N SER A 85 18.567 -8.027 2.151 1.00 0.32 N ATOM 1208 CA SER A 85 18.682 -8.061 3.595 1.00 0.36 C ATOM 1209 C SER A 85 17.450 -7.474 4.282 1.00 0.31 C ATOM 1210 O SER A 85 17.268 -7.640 5.487 1.00 0.35 O ATOM 1211 CB SER A 85 19.935 -7.325 4.021 1.00 0.43 C ATOM 1212 OG SER A 85 19.998 -6.032 3.442 1.00 0.42 O ATOM 0 H SER A 85 18.867 -7.150 1.725 1.00 0.32 H new ATOM 0 HA SER A 85 18.750 -9.104 3.905 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.957 -7.240 5.107 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.814 -7.900 3.728 1.00 0.43 H new ATOM 0 HG SER A 85 20.817 -5.581 3.737 1.00 0.42 H new ATOM 1218 N VAL A 86 16.599 -6.793 3.523 1.00 0.24 N ATOM 1219 CA VAL A 86 15.394 -6.206 4.103 1.00 0.20 C ATOM 1220 C VAL A 86 14.193 -7.127 3.924 1.00 0.17 C ATOM 1221 O VAL A 86 14.018 -7.742 2.870 1.00 0.18 O ATOM 1222 CB VAL A 86 15.052 -4.813 3.514 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.634 -4.901 2.053 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.958 -4.153 4.340 1.00 0.19 C ATOM 0 H VAL A 86 16.716 -6.635 2.522 1.00 0.24 H new ATOM 0 HA VAL A 86 15.612 -6.078 5.163 1.00 0.20 H new ATOM 0 HB VAL A 86 15.954 -4.203 3.557 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.403 -3.903 1.680 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.448 -5.329 1.467 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.751 -5.534 1.965 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.724 -3.175 3.919 1.00 0.19 H new ATOM 0 HG22 VAL A 86 13.065 -4.777 4.326 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.300 -4.033 5.368 1.00 0.19 H new ATOM 1234 N THR A 87 13.393 -7.248 4.973 1.00 0.17 N ATOM 1235 CA THR A 87 12.112 -7.930 4.891 1.00 0.17 C ATOM 1236 C THR A 87 11.180 -7.389 5.972 1.00 0.15 C ATOM 1237 O THR A 87 11.460 -7.511 7.164 1.00 0.18 O ATOM 1238 CB THR A 87 12.260 -9.454 5.058 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.340 -9.936 4.246 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.977 -10.153 4.651 1.00 0.23 C ATOM 0 H THR A 87 13.612 -6.879 5.898 1.00 0.17 H new ATOM 0 HA THR A 87 11.696 -7.742 3.901 1.00 0.17 H new ATOM 0 HB THR A 87 12.470 -9.668 6.106 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.426 -9.374 3.448 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.095 -11.230 4.774 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.157 -9.804 5.279 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.756 -9.929 3.608 1.00 0.23 H new ATOM 1248 N ILE A 88 10.077 -6.794 5.543 1.00 0.12 N ATOM 1249 CA ILE A 88 9.138 -6.122 6.443 1.00 0.11 C ATOM 1250 C ILE A 88 7.736 -6.203 5.874 1.00 0.10 C ATOM 1251 O ILE A 88 7.569 -6.552 4.713 1.00 0.11 O ATOM 1252 CB ILE A 88 9.472 -4.639 6.628 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.247 -3.903 5.321 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.901 -4.454 7.106 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.522 -2.428 5.413 1.00 0.09 C ATOM 0 H ILE A 88 9.803 -6.761 4.561 1.00 0.12 H new ATOM 0 HA ILE A 88 9.211 -6.627 7.406 1.00 0.11 H new ATOM 0 HB ILE A 88 8.814 -4.225 7.392 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.887 -4.337 4.553 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.216 -4.054 5.000 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.109 -3.391 7.228 1.00 0.14 H new ATOM 0 HG22 ILE A 88 11.034 -4.962 8.061 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.588 -4.876 6.372 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.341 -1.963 4.444 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.864 -1.981 6.158 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.560 -2.269 5.704 1.00 0.09 H new ATOM 1267 N GLN A 89 6.730 -5.900 6.675 1.00 0.11 N ATOM 1268 CA GLN A 89 5.371 -5.832 6.158 1.00 0.14 C ATOM 1269 C GLN A 89 4.508 -4.869 6.976 1.00 0.14 C ATOM 1270 O GLN A 89 4.757 -4.637 8.159 1.00 0.20 O ATOM 1271 CB GLN A 89 4.729 -7.220 6.105 1.00 0.22 C ATOM 1272 CG GLN A 89 4.556 -7.882 7.458 1.00 0.68 C ATOM 1273 CD GLN A 89 3.966 -9.269 7.335 1.00 1.04 C ATOM 1274 OE1 GLN A 89 2.748 -9.439 7.322 1.00 1.53 O ATOM 1275 NE2 GLN A 89 4.824 -10.269 7.234 1.00 1.88 N ATOM 0 H GLN A 89 6.823 -5.700 7.671 1.00 0.11 H new ATOM 0 HA GLN A 89 5.430 -5.446 5.140 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.753 -7.137 5.627 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.340 -7.866 5.474 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.522 -7.941 7.959 1.00 0.68 H new ATOM 0 HG3 GLN A 89 3.910 -7.266 8.084 1.00 0.68 H new ATOM 0 HE21 GLN A 89 5.827 -10.084 7.249 1.00 1.88 H new ATOM 0 HE22 GLN A 89 4.483 -11.226 7.141 1.00 1.88 H new ATOM 1284 N CYS A 90 3.503 -4.307 6.320 1.00 0.20 N ATOM 1285 CA CYS A 90 2.561 -3.382 6.948 1.00 0.21 C ATOM 1286 C CYS A 90 1.143 -3.705 6.495 1.00 0.23 C ATOM 1287 O CYS A 90 0.960 -4.483 5.563 1.00 0.31 O ATOM 1288 CB CYS A 90 2.931 -1.943 6.585 1.00 0.22 C ATOM 1289 SG CYS A 90 3.698 -1.788 4.943 1.00 0.97 S ATOM 0 H CYS A 90 3.314 -4.478 5.332 1.00 0.20 H new ATOM 0 HA CYS A 90 2.611 -3.490 8.031 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.034 -1.325 6.619 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.616 -1.551 7.337 1.00 0.22 H new ATOM 1294 N ASN A 91 0.143 -3.114 7.141 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.255 -3.423 6.833 1.00 0.18 C ATOM 1296 C ASN A 91 -2.147 -2.200 7.030 1.00 0.16 C ATOM 1297 O ASN A 91 -2.052 -1.510 8.046 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.742 -4.586 7.703 1.00 0.20 C ATOM 1299 CG ASN A 91 -3.217 -4.908 7.513 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -4.078 -4.355 8.194 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -3.517 -5.819 6.600 1.00 1.82 N ATOM 0 H ASN A 91 0.270 -2.421 7.878 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.315 -3.715 5.785 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -1.152 -5.473 7.474 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.562 -4.346 8.751 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -4.490 -6.083 6.443 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -2.775 -6.257 6.054 1.00 1.82 H new ATOM 1308 N LEU A 92 -3.008 -1.940 6.048 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.856 -0.747 6.050 1.00 0.13 C ATOM 1310 C LEU A 92 -5.026 -0.880 7.021 1.00 0.14 C ATOM 1311 O LEU A 92 -5.674 -1.924 7.101 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.388 -0.420 4.641 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.661 0.435 4.598 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.402 1.842 5.103 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.211 0.502 3.197 1.00 0.12 C ATOM 0 H LEU A 92 -3.138 -2.543 5.236 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.222 0.075 6.383 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.605 0.097 4.087 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.582 -1.357 4.119 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.391 -0.041 5.252 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.325 2.420 5.059 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -5.050 1.800 6.134 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.645 2.319 4.480 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.114 1.113 3.189 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.467 0.945 2.535 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.451 -0.504 2.852 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.278 0.195 7.756 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.475 0.320 8.575 1.00 0.19 C ATOM 1329 C ASP A 93 -7.614 0.883 7.734 1.00 0.17 C ATOM 1330 O ASP A 93 -7.588 2.051 7.362 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.207 1.233 9.773 1.00 0.26 C ATOM 1332 CG ASP A 93 -5.470 0.528 10.892 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -4.221 0.523 10.867 1.00 2.13 O ATOM 1334 OD2 ASP A 93 -6.128 -0.024 11.798 1.00 1.02 O ATOM 0 H ASP A 93 -4.658 1.004 7.801 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.755 -0.666 8.946 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.624 2.094 9.445 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.155 1.616 10.152 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.627 0.059 7.405 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.732 0.467 6.521 1.00 0.19 C ATOM 1341 C PRO A 94 -10.450 1.725 6.995 1.00 0.23 C ATOM 1342 O PRO A 94 -11.057 2.442 6.198 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.688 -0.726 6.558 1.00 0.24 C ATOM 1344 CG PRO A 94 -9.838 -1.885 6.930 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.771 -1.343 7.842 1.00 0.21 C ATOM 0 HA PRO A 94 -9.364 0.714 5.525 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.485 -0.571 7.285 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -11.165 -0.880 5.590 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.425 -2.654 7.431 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -9.398 -2.346 6.046 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -9.066 -1.409 8.889 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -7.836 -1.894 7.739 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.364 2.006 8.285 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.000 3.163 8.853 1.00 0.34 C ATOM 1355 C GLU A 95 -10.256 4.451 8.503 1.00 0.32 C ATOM 1356 O GLU A 95 -10.635 5.535 8.939 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.118 2.980 10.344 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.303 2.140 10.745 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.448 2.000 12.242 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -12.977 2.931 12.882 1.00 1.21 O ATOM 1361 OE2 GLU A 95 -12.030 0.958 12.786 1.00 1.42 O ATOM 0 H GLU A 95 -9.852 1.436 8.958 1.00 0.26 H new ATOM 0 HA GLU A 95 -11.998 3.261 8.425 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.207 2.515 10.720 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.196 3.958 10.819 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.211 2.585 10.338 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -12.206 1.149 10.301 1.00 0.69 H new ATOM 1368 N THR A 96 -9.203 4.330 7.708 1.00 0.23 N ATOM 1369 CA THR A 96 -8.464 5.490 7.257 1.00 0.24 C ATOM 1370 C THR A 96 -8.907 5.924 5.859 1.00 0.23 C ATOM 1371 O THR A 96 -8.654 7.054 5.441 1.00 0.30 O ATOM 1372 CB THR A 96 -6.960 5.214 7.250 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.647 4.254 6.244 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.501 4.697 8.603 1.00 0.31 C ATOM 0 H THR A 96 -8.845 3.439 7.365 1.00 0.23 H new ATOM 0 HA THR A 96 -8.676 6.297 7.959 1.00 0.24 H new ATOM 0 HB THR A 96 -6.442 6.149 7.038 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.109 3.412 6.440 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.428 4.507 8.575 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.718 5.441 9.370 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.027 3.771 8.836 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.566 5.005 5.145 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.159 5.277 3.820 1.00 0.23 C ATOM 1384 C VAL A 97 -11.065 6.521 3.825 1.00 0.29 C ATOM 1385 O VAL A 97 -11.420 7.045 2.770 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.977 4.054 3.326 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.678 4.332 1.995 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.083 2.830 3.202 1.00 0.51 C ATOM 0 H VAL A 97 -9.707 4.047 5.466 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.327 5.468 3.142 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.749 3.860 4.071 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.238 3.449 1.688 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.362 5.173 2.112 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.934 4.572 1.235 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.673 1.982 2.855 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.285 3.033 2.488 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.649 2.596 4.174 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.421 7.008 5.009 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.346 8.126 5.127 1.00 0.38 C ATOM 1400 C LYS A 98 -11.716 9.434 4.667 1.00 0.40 C ATOM 1401 O LYS A 98 -11.298 10.255 5.486 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.868 8.287 6.552 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.956 7.300 6.956 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.375 6.055 7.589 1.00 0.53 C ATOM 1405 CE LYS A 98 -12.922 5.051 6.555 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.952 4.015 6.283 1.00 2.40 N ATOM 0 H LYS A 98 -11.082 6.645 5.900 1.00 0.29 H new ATOM 0 HA LYS A 98 -13.186 7.893 4.473 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -12.031 8.185 7.243 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.255 9.299 6.668 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.640 7.779 7.656 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.540 7.023 6.079 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -12.531 6.330 8.221 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -14.122 5.596 8.237 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -12.680 5.572 5.628 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -12.007 4.568 6.897 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -13.595 3.350 5.568 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -14.165 3.499 7.160 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.818 4.471 5.930 1.00 2.40 H new ATOM 1420 N LEU A 99 -11.643 9.602 3.349 1.00 0.47 N ATOM 1421 CA LEU A 99 -11.264 10.868 2.739 1.00 0.58 C ATOM 1422 C LEU A 99 -9.849 11.287 3.128 1.00 0.73 C ATOM 1423 O LEU A 99 -9.592 12.458 3.415 1.00 1.33 O ATOM 1424 CB LEU A 99 -12.264 11.958 3.130 1.00 0.53 C ATOM 1425 CG LEU A 99 -13.661 11.858 2.497 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -13.559 11.732 0.985 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -14.450 10.694 3.080 1.00 0.76 C ATOM 0 H LEU A 99 -11.845 8.863 2.676 1.00 0.47 H new ATOM 0 HA LEU A 99 -11.279 10.732 1.658 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -12.378 11.945 4.214 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -11.837 12.925 2.866 1.00 0.53 H new ATOM 0 HG LEU A 99 -14.199 12.777 2.731 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -14.559 11.663 0.557 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -13.051 12.608 0.580 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -12.993 10.835 0.732 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -15.433 10.650 2.612 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -13.917 9.762 2.892 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -14.566 10.835 4.155 1.00 0.76 H new ATOM 1439 N GLU A 100 -8.932 10.330 3.136 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.544 10.624 3.446 1.00 1.25 C ATOM 1441 C GLU A 100 -6.856 11.236 2.234 1.00 2.09 C ATOM 1442 O GLU A 100 -6.718 10.594 1.190 1.00 2.87 O ATOM 1443 CB GLU A 100 -6.805 9.363 3.899 1.00 2.15 C ATOM 1444 CG GLU A 100 -5.382 9.633 4.364 1.00 2.70 C ATOM 1445 CD GLU A 100 -4.700 8.403 4.922 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -4.838 8.144 6.138 1.00 4.09 O ATOM 1447 OE2 GLU A 100 -4.010 7.698 4.155 1.00 4.13 O ATOM 0 H GLU A 100 -9.124 9.349 2.932 1.00 1.05 H new ATOM 0 HA GLU A 100 -7.520 11.342 4.266 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -7.362 8.896 4.711 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -6.781 8.649 3.076 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -4.799 10.017 3.527 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -5.396 10.412 5.127 1.00 2.70 H new ATOM 1454 N HIS A 101 -6.457 12.488 2.368 1.00 2.68 N ATOM 1455 CA HIS A 101 -5.771 13.189 1.297 1.00 3.89 C ATOM 1456 C HIS A 101 -4.385 13.599 1.760 1.00 4.59 C ATOM 1457 O HIS A 101 -3.395 13.047 1.241 1.00 5.06 O ATOM 1458 CB HIS A 101 -6.563 14.421 0.845 1.00 4.61 C ATOM 1459 CG HIS A 101 -7.937 14.106 0.335 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -8.169 13.401 -0.825 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -9.159 14.400 0.841 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -9.469 13.277 -1.012 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -10.093 13.873 -0.014 1.00 6.64 N ATOM 0 H HIS A 101 -6.597 13.043 3.212 1.00 2.68 H new ATOM 0 HA HIS A 101 -5.685 12.515 0.445 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -6.647 15.114 1.682 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -6.004 14.933 0.062 1.00 4.61 H new ATOM 0 HD2 HIS A 101 -9.360 14.948 1.750 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -9.942 12.773 -1.842 1.00 6.69 H new ATOM 0 HE2 HIS A 101 -11.105 13.932 0.103 1.00 6.64 H new TER 1472 HIS A 101