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 73 ASN : amide:sc= -1.77! C(o=-1.2!,f=-1.9!) USER MOD Set 1.2: A 75 TYR OH : rot -154:sc= 0.589 USER MOD Set 2.1: A 37 LYS NZ :NH3+ 153:sc= -1.68 (180deg=-2.25!) USER MOD Set 2.2: A 44 SER OG : rot -150:sc= -0.0132 USER MOD Set 3.1: A 32 LYS NZ :NH3+ -137:sc= 1.21 (180deg=-0.32) USER MOD Set 3.2: A 82 SER OG : rot 40:sc= 0.554 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0479) USER MOD Single : A 3 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.22) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc=-0.00373 X(o=-0.0037,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 18 GLN : amide:sc= -0.609 K(o=-0.61,f=-1.8) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00252 USER MOD Single : A 30 SER OG : rot 75:sc= 0.36 USER MOD Single : A 31 TYR OH : rot -140:sc= -0.457 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -135:sc= -0.0557 (180deg=-0.393) USER MOD Single : A 48 GLN : amide:sc= -0.81 K(o=-0.81,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0598 USER MOD Single : A 58 GLN : amide:sc= -0.965 K(o=-0.96,f=-0.052) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 64 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.47) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.67 USER MOD Single : A 70 SER OG : rot 26:sc= 0.291 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00188 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00768 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0783 USER MOD Single : A 89 GLN : amide:sc= -1.03 K(o=-1,f=-0.00015) USER MOD Single : A 91 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.78) USER MOD Single : A 96 THR OG1 : rot -89:sc= 0.336 USER MOD Single : A 98 LYS NZ :NH3+ -126:sc= -0.0148 (180deg=-0.0226) USER MOD Single : A 101 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.784 -1.381 2.778 1.00 1.09 N ATOM 2 CA MET A 1 16.994 -0.946 3.954 1.00 0.39 C ATOM 3 C MET A 1 15.723 -0.235 3.517 1.00 0.30 C ATOM 4 O MET A 1 15.701 0.986 3.360 1.00 0.45 O ATOM 5 CB MET A 1 17.830 -0.035 4.858 1.00 1.38 C ATOM 6 CG MET A 1 18.940 -0.770 5.593 1.00 2.13 C ATOM 7 SD MET A 1 19.931 0.314 6.638 1.00 3.23 S ATOM 8 CE MET A 1 21.037 -0.884 7.385 1.00 3.75 C ATOM 0 H1 MET A 1 18.584 -1.966 3.094 1.00 1.09 H new ATOM 0 H2 MET A 1 17.179 -1.937 2.140 1.00 1.09 H new ATOM 0 H3 MET A 1 18.144 -0.546 2.273 1.00 1.09 H new ATOM 0 HA MET A 1 16.713 -1.834 4.521 1.00 0.39 H new ATOM 0 HB2 MET A 1 18.268 0.760 4.255 1.00 1.38 H new ATOM 0 HB3 MET A 1 17.175 0.442 5.587 1.00 1.38 H new ATOM 0 HG2 MET A 1 18.502 -1.557 6.207 1.00 2.13 H new ATOM 0 HG3 MET A 1 19.589 -1.257 4.866 1.00 2.13 H new ATOM 0 HE1 MET A 1 21.720 -0.374 8.064 1.00 3.75 H new ATOM 0 HE2 MET A 1 20.455 -1.620 7.940 1.00 3.75 H new ATOM 0 HE3 MET A 1 21.609 -1.387 6.605 1.00 3.75 H new ATOM 20 N VAL A 2 14.664 -1.009 3.324 1.00 0.15 N ATOM 21 CA VAL A 2 13.393 -0.461 2.887 1.00 0.10 C ATOM 22 C VAL A 2 12.397 -0.423 4.052 1.00 0.09 C ATOM 23 O VAL A 2 12.442 -1.262 4.948 1.00 0.12 O ATOM 24 CB VAL A 2 12.787 -1.269 1.712 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.574 -0.558 1.180 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.790 -1.477 0.592 1.00 0.09 C ATOM 0 H VAL A 2 14.663 -2.019 3.464 1.00 0.15 H new ATOM 0 HA VAL A 2 13.584 0.553 2.536 1.00 0.10 H new ATOM 0 HB VAL A 2 12.506 -2.251 2.094 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.151 -1.129 0.354 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.832 -0.462 1.973 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.859 0.433 0.827 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.325 -2.048 -0.212 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.114 -0.509 0.209 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.653 -2.024 0.973 1.00 0.09 H new ATOM 36 N GLN A 3 11.510 0.559 4.019 1.00 0.09 N ATOM 37 CA GLN A 3 10.506 0.776 5.042 1.00 0.10 C ATOM 38 C GLN A 3 9.139 0.670 4.399 1.00 0.11 C ATOM 39 O GLN A 3 9.039 0.669 3.174 1.00 0.17 O ATOM 40 CB GLN A 3 10.667 2.171 5.644 1.00 0.16 C ATOM 41 CG GLN A 3 12.015 2.444 6.270 1.00 0.79 C ATOM 42 CD GLN A 3 12.341 1.516 7.427 1.00 1.14 C ATOM 43 OE1 GLN A 3 12.944 0.459 7.244 1.00 1.37 O ATOM 44 NE2 GLN A 3 11.943 1.909 8.625 1.00 2.03 N ATOM 0 H GLN A 3 11.469 1.241 3.262 1.00 0.09 H new ATOM 0 HA GLN A 3 10.618 0.033 5.831 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.489 2.910 4.863 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.896 2.315 6.401 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.788 2.347 5.507 1.00 0.79 H new ATOM 0 HG3 GLN A 3 12.042 3.475 6.622 1.00 0.79 H new ATOM 0 HE21 GLN A 3 11.446 2.793 8.733 1.00 2.03 H new ATOM 0 HE22 GLN A 3 12.133 1.328 9.442 1.00 2.03 H new ATOM 53 N CYS A 4 8.083 0.575 5.188 1.00 0.12 N ATOM 54 CA CYS A 4 6.779 0.428 4.584 1.00 0.13 C ATOM 55 C CYS A 4 5.676 1.143 5.336 1.00 0.17 C ATOM 56 O CYS A 4 5.820 1.500 6.506 1.00 0.29 O ATOM 57 CB CYS A 4 6.450 -1.050 4.374 1.00 0.17 C ATOM 58 SG CYS A 4 6.097 -2.071 5.870 1.00 0.30 S ATOM 0 H CYS A 4 8.101 0.596 6.208 1.00 0.12 H new ATOM 0 HA CYS A 4 6.830 0.919 3.612 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.584 -1.110 3.715 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.286 -1.508 3.845 1.00 0.17 H new ATOM 63 N GLU A 5 4.590 1.361 4.608 1.00 0.14 N ATOM 64 CA GLU A 5 3.371 1.979 5.100 1.00 0.16 C ATOM 65 C GLU A 5 2.238 1.545 4.193 1.00 0.15 C ATOM 66 O GLU A 5 2.470 0.845 3.206 1.00 0.17 O ATOM 67 CB GLU A 5 3.462 3.509 5.104 1.00 0.24 C ATOM 68 CG GLU A 5 4.388 4.083 6.158 1.00 0.33 C ATOM 69 CD GLU A 5 4.535 5.582 6.048 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.623 6.308 6.499 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.568 6.041 5.514 1.00 1.87 O ATOM 0 H GLU A 5 4.534 1.102 3.623 1.00 0.14 H new ATOM 0 HA GLU A 5 3.205 1.664 6.130 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.799 3.842 4.123 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.463 3.919 5.254 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.007 3.831 7.148 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.369 3.618 6.066 1.00 0.33 H new ATOM 78 N VAL A 6 1.025 1.937 4.528 1.00 0.17 N ATOM 79 CA VAL A 6 -0.143 1.530 3.775 1.00 0.18 C ATOM 80 C VAL A 6 -1.163 2.651 3.655 1.00 0.21 C ATOM 81 O VAL A 6 -1.710 3.139 4.647 1.00 0.33 O ATOM 82 CB VAL A 6 -0.784 0.308 4.409 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.141 -0.949 3.855 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.626 0.382 5.920 1.00 0.20 C ATOM 0 H VAL A 6 0.822 2.542 5.324 1.00 0.17 H new ATOM 0 HA VAL A 6 0.193 1.280 2.769 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.848 0.280 4.173 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.602 -1.825 4.311 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.283 -0.985 2.775 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.925 -0.942 4.080 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.085 -0.494 6.377 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.434 0.410 6.174 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.113 1.283 6.293 1.00 0.20 H new ATOM 94 N GLU A 7 -1.400 3.040 2.417 1.00 0.16 N ATOM 95 CA GLU A 7 -2.183 4.212 2.087 1.00 0.16 C ATOM 96 C GLU A 7 -3.452 3.858 1.351 1.00 0.16 C ATOM 97 O GLU A 7 -3.600 2.781 0.784 1.00 0.28 O ATOM 98 CB GLU A 7 -1.376 5.135 1.185 1.00 0.26 C ATOM 99 CG GLU A 7 -0.266 5.920 1.867 1.00 0.24 C ATOM 100 CD GLU A 7 0.497 5.154 2.927 1.00 1.05 C ATOM 101 OE1 GLU A 7 1.206 4.191 2.563 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.391 5.502 4.115 1.00 1.11 O ATOM 0 H GLU A 7 -1.047 2.541 1.600 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.438 4.696 3.030 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -0.936 4.538 0.386 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -2.060 5.842 0.715 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.438 6.260 1.108 1.00 0.24 H new ATOM 0 HG3 GLU A 7 -0.698 6.811 2.323 1.00 0.24 H new ATOM 109 N ALA A 8 -4.357 4.797 1.370 1.00 0.14 N ATOM 110 CA ALA A 8 -5.547 4.745 0.563 1.00 0.12 C ATOM 111 C ALA A 8 -5.826 6.154 0.057 1.00 0.15 C ATOM 112 O ALA A 8 -5.921 7.086 0.852 1.00 0.17 O ATOM 113 CB ALA A 8 -6.699 4.221 1.388 1.00 0.13 C ATOM 0 H ALA A 8 -4.289 5.631 1.953 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.417 4.072 -0.285 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.599 4.183 0.774 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.463 3.220 1.748 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.868 4.882 2.238 1.00 0.13 H new ATOM 119 N ALA A 9 -5.941 6.319 -1.247 1.00 0.16 N ATOM 120 CA ALA A 9 -6.086 7.642 -1.839 1.00 0.19 C ATOM 121 C ALA A 9 -7.452 7.802 -2.480 1.00 0.19 C ATOM 122 O ALA A 9 -7.717 7.261 -3.549 1.00 0.20 O ATOM 123 CB ALA A 9 -4.988 7.880 -2.863 1.00 0.22 C ATOM 0 H ALA A 9 -5.937 5.553 -1.921 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.996 8.385 -1.046 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.106 8.872 -3.299 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -4.015 7.811 -2.376 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.054 7.128 -3.649 1.00 0.22 H new ATOM 129 N VAL A 10 -8.314 8.554 -1.826 1.00 0.22 N ATOM 130 CA VAL A 10 -9.682 8.698 -2.282 1.00 0.23 C ATOM 131 C VAL A 10 -9.825 9.804 -3.321 1.00 0.27 C ATOM 132 O VAL A 10 -9.385 10.936 -3.118 1.00 0.33 O ATOM 133 CB VAL A 10 -10.637 8.961 -1.105 1.00 0.25 C ATOM 134 CG1 VAL A 10 -12.041 9.265 -1.604 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.653 7.763 -0.170 1.00 0.27 C ATOM 0 H VAL A 10 -8.092 9.075 -0.977 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.954 7.754 -2.754 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.278 9.832 -0.557 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.698 9.447 -0.754 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.017 10.150 -2.240 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.416 8.416 -2.176 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.332 7.958 0.660 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.990 6.881 -0.714 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.649 7.589 0.216 1.00 0.27 H new ATOM 145 N SER A 11 -10.425 9.441 -4.440 1.00 0.29 N ATOM 146 CA SER A 11 -10.786 10.378 -5.481 1.00 0.36 C ATOM 147 C SER A 11 -12.310 10.460 -5.557 1.00 0.45 C ATOM 148 O SER A 11 -13.005 9.739 -4.837 1.00 0.63 O ATOM 149 CB SER A 11 -10.204 9.917 -6.812 1.00 0.45 C ATOM 150 OG SER A 11 -8.824 9.614 -6.684 1.00 1.22 O ATOM 0 H SER A 11 -10.677 8.475 -4.651 1.00 0.29 H new ATOM 0 HA SER A 11 -10.383 11.366 -5.257 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.742 9.037 -7.163 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.341 10.695 -7.563 1.00 0.45 H new ATOM 0 HG SER A 11 -8.472 9.319 -7.550 1.00 1.22 H new ATOM 156 N GLY A 12 -12.828 11.328 -6.417 1.00 0.45 N ATOM 157 CA GLY A 12 -14.266 11.501 -6.523 1.00 0.54 C ATOM 158 C GLY A 12 -14.979 10.270 -7.058 1.00 0.49 C ATOM 159 O GLY A 12 -15.152 10.121 -8.267 1.00 0.61 O ATOM 0 H GLY A 12 -12.279 11.916 -7.044 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.669 11.748 -5.541 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.476 12.348 -7.176 1.00 0.54 H new ATOM 163 N GLY A 13 -15.377 9.378 -6.156 1.00 0.45 N ATOM 164 CA GLY A 13 -16.139 8.203 -6.544 1.00 0.48 C ATOM 165 C GLY A 13 -15.297 6.942 -6.585 1.00 0.41 C ATOM 166 O GLY A 13 -15.827 5.830 -6.596 1.00 0.45 O ATOM 0 H GLY A 13 -15.184 9.448 -5.157 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.962 8.062 -5.843 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.581 8.371 -7.526 1.00 0.48 H new ATOM 170 N HIS A 14 -13.985 7.103 -6.584 1.00 0.34 N ATOM 171 CA HIS A 14 -13.076 5.965 -6.662 1.00 0.31 C ATOM 172 C HIS A 14 -11.954 6.132 -5.656 1.00 0.30 C ATOM 173 O HIS A 14 -11.521 7.244 -5.390 1.00 0.43 O ATOM 174 CB HIS A 14 -12.487 5.823 -8.069 1.00 0.34 C ATOM 175 CG HIS A 14 -13.480 5.399 -9.107 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.798 6.170 -10.203 1.00 1.56 N ATOM 177 CD2 HIS A 14 -14.214 4.269 -9.221 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.685 5.534 -10.943 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.956 4.377 -10.370 1.00 1.82 N ATOM 0 H HIS A 14 -13.522 8.010 -6.530 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.643 5.063 -6.434 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -12.051 6.777 -8.367 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.675 5.096 -8.040 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -14.216 3.435 -8.534 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -15.117 5.899 -11.863 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.609 3.678 -10.723 1.00 1.82 H new ATOM 188 N VAL A 15 -11.490 5.035 -5.095 1.00 0.23 N ATOM 189 CA VAL A 15 -10.417 5.090 -4.121 1.00 0.20 C ATOM 190 C VAL A 15 -9.211 4.296 -4.618 1.00 0.18 C ATOM 191 O VAL A 15 -9.304 3.102 -4.871 1.00 0.17 O ATOM 192 CB VAL A 15 -10.890 4.601 -2.718 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.560 3.230 -2.773 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.734 4.588 -1.728 1.00 0.17 C ATOM 0 H VAL A 15 -11.837 4.097 -5.295 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.114 6.131 -4.005 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.640 5.314 -2.375 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.870 2.936 -1.770 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.433 3.278 -3.424 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.855 2.496 -3.164 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.090 4.243 -0.757 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.954 3.917 -2.088 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.328 5.595 -1.629 1.00 0.17 H new ATOM 204 N THR A 16 -8.092 4.978 -4.785 1.00 0.17 N ATOM 205 CA THR A 16 -6.868 4.354 -5.260 1.00 0.16 C ATOM 206 C THR A 16 -5.998 3.976 -4.072 1.00 0.14 C ATOM 207 O THR A 16 -5.570 4.831 -3.314 1.00 0.15 O ATOM 208 CB THR A 16 -6.076 5.309 -6.175 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.821 5.597 -7.364 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.721 4.720 -6.538 1.00 0.19 C ATOM 0 H THR A 16 -8.005 5.977 -4.596 1.00 0.17 H new ATOM 0 HA THR A 16 -7.139 3.466 -5.831 1.00 0.16 H new ATOM 0 HB THR A 16 -5.911 6.237 -5.628 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.306 6.206 -7.934 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.184 5.414 -7.184 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.144 4.549 -5.630 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.864 3.774 -7.061 1.00 0.19 H new ATOM 218 N LEU A 17 -5.726 2.702 -3.912 1.00 0.12 N ATOM 219 CA LEU A 17 -5.062 2.229 -2.717 1.00 0.10 C ATOM 220 C LEU A 17 -3.669 1.695 -3.031 1.00 0.13 C ATOM 221 O LEU A 17 -3.491 0.962 -4.003 1.00 0.17 O ATOM 222 CB LEU A 17 -5.921 1.163 -2.075 1.00 0.11 C ATOM 223 CG LEU A 17 -5.879 1.146 -0.558 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.268 0.926 -0.004 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.913 0.090 -0.066 1.00 0.11 C ATOM 0 H LEU A 17 -5.953 1.975 -4.591 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.933 3.060 -2.024 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.953 1.305 -2.395 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.604 0.188 -2.445 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.521 2.112 -0.201 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.228 0.915 1.085 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.924 1.731 -0.335 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.656 -0.028 -0.362 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.896 0.092 1.024 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.232 -0.889 -0.422 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.914 0.306 -0.445 1.00 0.11 H new ATOM 237 N GLN A 18 -2.691 2.085 -2.212 1.00 0.15 N ATOM 238 CA GLN A 18 -1.295 1.695 -2.394 1.00 0.19 C ATOM 239 C GLN A 18 -0.605 1.602 -1.032 1.00 0.24 C ATOM 240 O GLN A 18 -1.195 1.941 -0.018 1.00 0.51 O ATOM 241 CB GLN A 18 -0.554 2.721 -3.249 1.00 0.32 C ATOM 242 CG GLN A 18 -1.141 2.939 -4.624 1.00 0.78 C ATOM 243 CD GLN A 18 -0.489 4.084 -5.371 1.00 1.03 C ATOM 244 OE1 GLN A 18 0.697 4.361 -5.200 1.00 1.58 O ATOM 245 NE2 GLN A 18 -1.264 4.762 -6.200 1.00 1.77 N ATOM 0 H GLN A 18 -2.847 2.683 -1.401 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.274 0.728 -2.896 1.00 0.19 H new ATOM 0 HB2 GLN A 18 -0.541 3.674 -2.719 1.00 0.32 H new ATOM 0 HB3 GLN A 18 0.483 2.402 -3.358 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -1.035 2.024 -5.208 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -2.209 3.135 -4.530 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -2.243 4.499 -6.313 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -0.883 5.548 -6.727 1.00 1.77 H new ATOM 254 N GLY A 19 0.633 1.137 -1.010 1.00 0.17 N ATOM 255 CA GLY A 19 1.401 1.141 0.226 1.00 0.18 C ATOM 256 C GLY A 19 2.678 1.959 0.091 1.00 0.18 C ATOM 257 O GLY A 19 3.455 1.736 -0.834 1.00 0.19 O ATOM 0 H GLY A 19 1.123 0.757 -1.820 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.791 1.548 1.032 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.652 0.117 0.502 1.00 0.18 H new ATOM 261 N VAL A 20 2.896 2.909 0.996 1.00 0.17 N ATOM 262 CA VAL A 20 4.059 3.787 0.919 1.00 0.18 C ATOM 263 C VAL A 20 5.287 3.157 1.544 1.00 0.21 C ATOM 264 O VAL A 20 5.396 2.985 2.749 1.00 0.45 O ATOM 265 CB VAL A 20 3.789 5.168 1.560 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.066 5.852 2.026 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.051 6.067 0.587 1.00 0.20 C ATOM 0 H VAL A 20 2.283 3.090 1.791 1.00 0.17 H new ATOM 0 HA VAL A 20 4.253 3.937 -0.143 1.00 0.18 H new ATOM 0 HB VAL A 20 3.170 4.993 2.440 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.821 6.818 2.468 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.563 5.228 2.769 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.730 6.001 1.175 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.868 7.035 1.053 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.654 6.204 -0.311 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.099 5.609 0.318 1.00 0.20 H new ATOM 277 N ILE A 21 6.202 2.821 0.687 1.00 0.13 N ATOM 278 CA ILE A 21 7.487 2.294 1.065 1.00 0.11 C ATOM 279 C ILE A 21 8.507 3.422 1.144 1.00 0.13 C ATOM 280 O ILE A 21 8.885 3.985 0.127 1.00 0.14 O ATOM 281 CB ILE A 21 7.940 1.269 0.012 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.392 -0.096 0.352 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.451 1.209 -0.137 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.479 -1.031 -0.812 1.00 0.10 C ATOM 0 H ILE A 21 6.077 2.906 -0.322 1.00 0.13 H new ATOM 0 HA ILE A 21 7.409 1.814 2.041 1.00 0.11 H new ATOM 0 HB ILE A 21 7.542 1.597 -0.948 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.945 -0.511 1.195 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.353 -0.003 0.668 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.713 0.469 -0.893 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.826 2.186 -0.441 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.900 0.928 0.816 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.075 -2.003 -0.529 1.00 0.10 H new ATOM 0 HD12 ILE A 21 6.904 -0.628 -1.646 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.521 -1.144 -1.111 1.00 0.10 H new ATOM 296 N THR A 22 8.927 3.801 2.326 1.00 0.13 N ATOM 297 CA THR A 22 10.061 4.692 2.409 1.00 0.14 C ATOM 298 C THR A 22 11.298 3.849 2.294 1.00 0.14 C ATOM 299 O THR A 22 11.377 2.797 2.887 1.00 0.18 O ATOM 300 CB THR A 22 10.117 5.491 3.713 1.00 0.16 C ATOM 301 OG1 THR A 22 8.818 5.989 4.045 1.00 0.20 O ATOM 302 CG2 THR A 22 11.076 6.656 3.565 1.00 0.17 C ATOM 0 H THR A 22 8.518 3.519 3.217 1.00 0.13 H new ATOM 0 HA THR A 22 9.977 5.425 1.607 1.00 0.14 H new ATOM 0 HB THR A 22 10.463 4.832 4.509 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.866 6.497 4.882 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.110 7.220 4.497 1.00 0.17 H new ATOM 0 HG22 THR A 22 12.072 6.280 3.332 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.736 7.307 2.760 1.00 0.17 H new ATOM 310 N ALA A 23 12.247 4.265 1.519 1.00 0.12 N ATOM 311 CA ALA A 23 13.434 3.472 1.377 1.00 0.12 C ATOM 312 C ALA A 23 14.632 4.291 1.761 1.00 0.14 C ATOM 313 O ALA A 23 14.869 5.331 1.189 1.00 0.16 O ATOM 314 CB ALA A 23 13.536 2.972 -0.041 1.00 0.11 C ATOM 0 H ALA A 23 12.230 5.132 0.982 1.00 0.12 H new ATOM 0 HA ALA A 23 13.391 2.607 2.039 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.438 2.369 -0.150 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.662 2.364 -0.276 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.582 3.821 -0.724 1.00 0.11 H new ATOM 320 N VAL A 24 15.375 3.830 2.743 1.00 0.16 N ATOM 321 CA VAL A 24 16.491 4.603 3.266 1.00 0.18 C ATOM 322 C VAL A 24 17.662 4.678 2.283 1.00 0.20 C ATOM 323 O VAL A 24 18.583 5.473 2.466 1.00 0.25 O ATOM 324 CB VAL A 24 16.978 4.045 4.615 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.097 4.905 5.175 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.816 3.967 5.586 1.00 0.23 C ATOM 0 H VAL A 24 15.231 2.928 3.197 1.00 0.16 H new ATOM 0 HA VAL A 24 16.115 5.615 3.416 1.00 0.18 H new ATOM 0 HB VAL A 24 17.374 3.041 4.463 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.428 4.495 6.129 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.932 4.916 4.475 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.735 5.922 5.324 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.165 3.571 6.540 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.400 4.963 5.737 1.00 0.23 H new ATOM 0 HG23 VAL A 24 15.046 3.310 5.180 1.00 0.23 H new ATOM 336 N ARG A 25 17.637 3.876 1.230 1.00 0.21 N ATOM 337 CA ARG A 25 18.712 3.920 0.257 1.00 0.24 C ATOM 338 C ARG A 25 18.188 3.957 -1.175 1.00 0.23 C ATOM 339 O ARG A 25 17.277 3.214 -1.539 1.00 0.26 O ATOM 340 CB ARG A 25 19.659 2.754 0.472 1.00 0.33 C ATOM 341 CG ARG A 25 20.472 2.904 1.738 1.00 0.40 C ATOM 342 CD ARG A 25 21.491 4.012 1.588 1.00 0.73 C ATOM 343 NE ARG A 25 22.267 4.231 2.808 1.00 0.80 N ATOM 344 CZ ARG A 25 23.042 5.297 3.013 1.00 1.41 C ATOM 345 NH1 ARG A 25 23.150 6.234 2.077 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.720 5.419 4.149 1.00 1.42 N ATOM 0 H ARG A 25 16.899 3.200 1.031 1.00 0.21 H new ATOM 0 HA ARG A 25 19.264 4.848 0.408 1.00 0.24 H new ATOM 0 HB2 ARG A 25 19.087 1.827 0.517 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.331 2.672 -0.382 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.811 3.121 2.577 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.978 1.966 1.965 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.169 3.769 0.769 1.00 0.73 H new ATOM 0 HD3 ARG A 25 20.980 4.936 1.316 1.00 0.73 H new ATOM 0 HE ARG A 25 22.212 3.528 3.545 1.00 0.80 H new ATOM 0 HH11 ARG A 25 22.639 6.139 1.199 1.00 2.18 H new ATOM 0 HH12 ARG A 25 23.743 7.048 2.236 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.648 4.697 4.866 1.00 1.42 H new ATOM 0 HH22 ARG A 25 24.312 6.235 4.304 1.00 1.42 H new ATOM 360 N ASP A 26 18.778 4.844 -1.974 1.00 0.23 N ATOM 361 CA ASP A 26 18.345 5.077 -3.343 1.00 0.25 C ATOM 362 C ASP A 26 18.814 3.964 -4.264 1.00 0.24 C ATOM 363 O ASP A 26 19.918 3.432 -4.116 1.00 0.32 O ATOM 364 CB ASP A 26 18.871 6.422 -3.851 1.00 0.31 C ATOM 365 CG ASP A 26 20.382 6.463 -3.935 1.00 0.78 C ATOM 366 OD1 ASP A 26 21.043 6.523 -2.877 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.919 6.425 -5.059 1.00 1.54 O ATOM 0 H ASP A 26 19.570 5.420 -1.687 1.00 0.23 H new ATOM 0 HA ASP A 26 17.255 5.094 -3.346 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.451 6.623 -4.836 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.526 7.216 -3.189 1.00 0.31 H new ATOM 372 N GLY A 27 17.965 3.623 -5.214 1.00 0.24 N ATOM 373 CA GLY A 27 18.254 2.565 -6.147 1.00 0.26 C ATOM 374 C GLY A 27 16.986 1.847 -6.524 1.00 0.21 C ATOM 375 O GLY A 27 15.996 2.481 -6.877 1.00 0.23 O ATOM 0 H GLY A 27 17.061 4.073 -5.356 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.728 2.975 -7.039 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.961 1.863 -5.705 1.00 0.26 H new ATOM 379 N ALA A 28 16.993 0.536 -6.415 1.00 0.19 N ATOM 380 CA ALA A 28 15.809 -0.249 -6.693 1.00 0.18 C ATOM 381 C ALA A 28 15.702 -1.396 -5.708 1.00 0.24 C ATOM 382 O ALA A 28 16.709 -1.986 -5.320 1.00 0.45 O ATOM 383 CB ALA A 28 15.828 -0.764 -8.125 1.00 0.21 C ATOM 0 H ALA A 28 17.808 -0.010 -6.135 1.00 0.19 H new ATOM 0 HA ALA A 28 14.932 0.389 -6.579 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.929 -1.351 -8.312 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.861 0.079 -8.815 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.708 -1.390 -8.275 1.00 0.21 H new ATOM 389 N GLY A 29 14.484 -1.697 -5.303 1.00 0.15 N ATOM 390 CA GLY A 29 14.249 -2.759 -4.367 1.00 0.19 C ATOM 391 C GLY A 29 13.019 -3.535 -4.749 1.00 0.17 C ATOM 392 O GLY A 29 12.290 -3.138 -5.660 1.00 0.21 O ATOM 0 H GLY A 29 13.642 -1.213 -5.615 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.112 -3.424 -4.339 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.130 -2.348 -3.364 1.00 0.19 H new ATOM 396 N SER A 30 12.760 -4.614 -4.050 1.00 0.15 N ATOM 397 CA SER A 30 11.647 -5.473 -4.400 1.00 0.15 C ATOM 398 C SER A 30 10.678 -5.596 -3.239 1.00 0.13 C ATOM 399 O SER A 30 11.083 -5.735 -2.083 1.00 0.14 O ATOM 400 CB SER A 30 12.149 -6.846 -4.839 1.00 0.20 C ATOM 401 OG SER A 30 13.029 -7.409 -3.875 1.00 0.23 O ATOM 0 H SER A 30 13.299 -4.920 -3.240 1.00 0.15 H new ATOM 0 HA SER A 30 11.114 -5.022 -5.237 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.301 -7.513 -4.993 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.663 -6.758 -5.796 1.00 0.20 H new ATOM 0 HG SER A 30 12.512 -7.722 -3.104 1.00 0.23 H new ATOM 407 N TYR A 31 9.398 -5.539 -3.559 1.00 0.13 N ATOM 408 CA TYR A 31 8.349 -5.532 -2.559 1.00 0.11 C ATOM 409 C TYR A 31 7.036 -6.048 -3.146 1.00 0.13 C ATOM 410 O TYR A 31 6.850 -6.073 -4.364 1.00 0.18 O ATOM 411 CB TYR A 31 8.190 -4.131 -1.973 1.00 0.10 C ATOM 412 CG TYR A 31 8.847 -3.019 -2.772 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.257 -2.555 -3.936 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.036 -2.409 -2.344 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.818 -1.529 -4.657 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.598 -1.368 -3.067 1.00 0.09 C ATOM 417 CZ TYR A 31 9.985 -0.937 -4.221 1.00 0.11 C ATOM 418 OH TYR A 31 10.533 0.099 -4.936 1.00 0.13 O ATOM 0 H TYR A 31 9.058 -5.496 -4.520 1.00 0.13 H new ATOM 0 HA TYR A 31 8.630 -6.206 -1.750 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.126 -3.911 -1.881 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.605 -4.127 -0.965 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.340 -3.008 -4.283 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.519 -2.754 -1.442 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.345 -1.186 -5.565 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.510 -0.899 -2.727 1.00 0.09 H new ATOM 0 HH TYR A 31 11.508 0.003 -4.956 1.00 0.13 H new ATOM 428 N LYS A 32 6.144 -6.468 -2.266 1.00 0.13 N ATOM 429 CA LYS A 32 4.919 -7.161 -2.646 1.00 0.14 C ATOM 430 C LYS A 32 3.708 -6.541 -1.959 1.00 0.14 C ATOM 431 O LYS A 32 3.537 -6.677 -0.744 1.00 0.13 O ATOM 432 CB LYS A 32 5.031 -8.636 -2.245 1.00 0.16 C ATOM 433 CG LYS A 32 5.845 -8.841 -0.983 1.00 0.17 C ATOM 434 CD LYS A 32 7.321 -9.066 -1.286 1.00 0.25 C ATOM 435 CE LYS A 32 7.638 -10.537 -1.460 1.00 0.40 C ATOM 436 NZ LYS A 32 7.507 -11.279 -0.178 1.00 1.26 N ATOM 0 H LYS A 32 6.247 -6.338 -1.260 1.00 0.13 H new ATOM 0 HA LYS A 32 4.787 -7.072 -3.724 1.00 0.14 H new ATOM 0 HB2 LYS A 32 4.031 -9.045 -2.098 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.487 -9.196 -3.061 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.736 -7.970 -0.336 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.453 -9.697 -0.434 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.593 -8.525 -2.192 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.925 -8.656 -0.477 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.967 -10.969 -2.202 1.00 0.40 H new ATOM 0 HE3 LYS A 32 8.652 -10.649 -1.844 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.306 -11.937 -0.075 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 7.508 -10.606 0.615 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 6.615 -11.814 -0.176 1.00 1.26 H new ATOM 450 N LEU A 33 2.857 -5.893 -2.732 1.00 0.17 N ATOM 451 CA LEU A 33 1.693 -5.229 -2.174 1.00 0.17 C ATOM 452 C LEU A 33 0.430 -6.030 -2.461 1.00 0.19 C ATOM 453 O LEU A 33 0.122 -6.365 -3.608 1.00 0.27 O ATOM 454 CB LEU A 33 1.591 -3.789 -2.713 1.00 0.22 C ATOM 455 CG LEU A 33 0.427 -2.932 -2.177 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.839 -3.210 -2.958 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.187 -3.178 -0.688 1.00 0.49 C ATOM 0 H LEU A 33 2.949 -5.812 -3.745 1.00 0.17 H new ATOM 0 HA LEU A 33 1.803 -5.172 -1.091 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.525 -3.274 -2.488 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.507 -3.837 -3.799 1.00 0.22 H new ATOM 0 HG LEU A 33 0.704 -1.886 -2.305 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.650 -2.597 -2.566 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.678 -2.971 -4.009 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.102 -4.263 -2.862 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.641 -2.557 -0.345 1.00 0.49 H new ATOM 0 HD22 LEU A 33 -0.057 -4.228 -0.527 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.087 -2.925 -0.128 1.00 0.49 H new ATOM 469 N ALA A 34 -0.284 -6.350 -1.400 1.00 0.16 N ATOM 470 CA ALA A 34 -1.564 -7.022 -1.507 1.00 0.19 C ATOM 471 C ALA A 34 -2.654 -6.165 -0.883 1.00 0.18 C ATOM 472 O ALA A 34 -2.483 -5.638 0.211 1.00 0.25 O ATOM 473 CB ALA A 34 -1.510 -8.386 -0.838 1.00 0.25 C ATOM 0 H ALA A 34 0.006 -6.152 -0.442 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.794 -7.170 -2.562 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.480 -8.875 -0.929 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.749 -8.998 -1.321 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.262 -8.264 0.217 1.00 0.25 H new ATOM 479 N VAL A 35 -3.761 -6.010 -1.584 1.00 0.16 N ATOM 480 CA VAL A 35 -4.876 -5.230 -1.075 1.00 0.14 C ATOM 481 C VAL A 35 -6.051 -6.148 -0.781 1.00 0.16 C ATOM 482 O VAL A 35 -6.443 -6.957 -1.620 1.00 0.23 O ATOM 483 CB VAL A 35 -5.308 -4.124 -2.065 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.378 -3.236 -1.450 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.114 -3.287 -2.480 1.00 0.21 C ATOM 0 H VAL A 35 -3.913 -6.414 -2.508 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.548 -4.741 -0.158 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.725 -4.606 -2.949 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.666 -2.465 -2.165 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.250 -3.839 -1.196 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.986 -2.766 -0.548 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.437 -2.513 -3.177 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.673 -2.821 -1.599 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.373 -3.924 -2.963 1.00 0.21 H new ATOM 495 N ASP A 36 -6.598 -6.033 0.411 1.00 0.19 N ATOM 496 CA ASP A 36 -7.684 -6.897 0.835 1.00 0.24 C ATOM 497 C ASP A 36 -8.935 -6.070 1.081 1.00 0.25 C ATOM 498 O ASP A 36 -8.978 -5.242 1.992 1.00 0.31 O ATOM 499 CB ASP A 36 -7.286 -7.643 2.106 1.00 0.33 C ATOM 500 CG ASP A 36 -8.240 -8.770 2.448 1.00 1.05 C ATOM 501 OD1 ASP A 36 -8.133 -9.849 1.829 1.00 1.52 O ATOM 502 OD2 ASP A 36 -9.084 -8.591 3.345 1.00 1.67 O ATOM 0 H ASP A 36 -6.308 -5.347 1.108 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.892 -7.624 0.050 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.281 -8.048 1.985 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.248 -6.940 2.938 1.00 0.33 H new ATOM 507 N LYS A 37 -9.952 -6.290 0.270 1.00 0.28 N ATOM 508 CA LYS A 37 -11.173 -5.512 0.373 1.00 0.33 C ATOM 509 C LYS A 37 -12.225 -6.275 1.145 1.00 0.46 C ATOM 510 O LYS A 37 -12.217 -7.504 1.173 1.00 0.63 O ATOM 511 CB LYS A 37 -11.729 -5.158 -0.994 1.00 0.42 C ATOM 512 CG LYS A 37 -10.718 -4.529 -1.928 1.00 0.95 C ATOM 513 CD LYS A 37 -11.287 -4.207 -3.311 1.00 0.77 C ATOM 514 CE LYS A 37 -11.835 -5.424 -4.045 1.00 1.13 C ATOM 515 NZ LYS A 37 -13.246 -5.727 -3.675 1.00 1.34 N ATOM 0 H LYS A 37 -9.958 -6.998 -0.465 1.00 0.28 H new ATOM 0 HA LYS A 37 -10.921 -4.591 0.899 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -12.124 -6.061 -1.459 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -12.567 -4.472 -0.867 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -10.339 -3.612 -1.477 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -9.869 -5.204 -2.040 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -12.082 -3.469 -3.204 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -10.506 -3.749 -3.918 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.773 -5.254 -5.120 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -11.211 -6.290 -3.823 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -13.714 -6.217 -4.464 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.261 -6.336 -2.832 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -13.749 -4.840 -3.470 1.00 1.34 H new ATOM 529 N ALA A 38 -13.116 -5.539 1.772 1.00 0.41 N ATOM 530 CA ALA A 38 -14.218 -6.126 2.509 1.00 0.52 C ATOM 531 C ALA A 38 -15.417 -5.187 2.515 1.00 0.47 C ATOM 532 O ALA A 38 -15.428 -4.173 3.212 1.00 0.43 O ATOM 533 CB ALA A 38 -13.774 -6.455 3.919 1.00 0.60 C ATOM 0 H ALA A 38 -13.099 -4.519 1.787 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.524 -7.050 2.019 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -14.606 -6.896 4.469 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -12.946 -7.163 3.884 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.450 -5.543 4.421 1.00 0.60 H new ATOM 539 N GLY A 39 -16.425 -5.524 1.734 1.00 0.57 N ATOM 540 CA GLY A 39 -17.593 -4.679 1.639 1.00 0.60 C ATOM 541 C GLY A 39 -18.878 -5.472 1.661 1.00 0.81 C ATOM 542 O GLY A 39 -18.885 -6.645 2.046 1.00 0.96 O ATOM 0 H GLY A 39 -16.457 -6.368 1.163 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -17.593 -3.969 2.466 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.544 -4.097 0.719 1.00 0.60 H new ATOM 546 N ALA A 40 -19.963 -4.838 1.233 1.00 0.90 N ATOM 547 CA ALA A 40 -21.270 -5.479 1.200 1.00 1.14 C ATOM 548 C ALA A 40 -21.297 -6.632 0.200 1.00 1.33 C ATOM 549 O ALA A 40 -22.151 -7.514 0.277 1.00 1.57 O ATOM 550 CB ALA A 40 -22.345 -4.461 0.866 1.00 1.24 C ATOM 0 H ALA A 40 -19.962 -3.873 0.902 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.469 -5.892 2.189 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.318 -4.953 0.844 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.352 -3.677 1.623 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -22.139 -4.021 -0.110 1.00 1.24 H new ATOM 556 N ALA A 41 -20.356 -6.623 -0.736 1.00 1.28 N ATOM 557 CA ALA A 41 -20.250 -7.689 -1.721 1.00 1.49 C ATOM 558 C ALA A 41 -19.291 -8.775 -1.246 1.00 1.45 C ATOM 559 O ALA A 41 -18.988 -9.717 -1.979 1.00 1.72 O ATOM 560 CB ALA A 41 -19.802 -7.134 -3.064 1.00 1.58 C ATOM 0 H ALA A 41 -19.655 -5.888 -0.833 1.00 1.28 H new ATOM 0 HA ALA A 41 -21.237 -8.136 -1.843 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -19.729 -7.946 -3.787 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -20.528 -6.400 -3.415 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -18.828 -6.657 -2.954 1.00 1.58 H new ATOM 566 N GLY A 42 -18.807 -8.633 -0.021 1.00 1.19 N ATOM 567 CA GLY A 42 -17.906 -9.618 0.538 1.00 1.21 C ATOM 568 C GLY A 42 -16.470 -9.144 0.550 1.00 1.01 C ATOM 569 O GLY A 42 -16.198 -7.961 0.327 1.00 0.86 O ATOM 0 H GLY A 42 -19.023 -7.851 0.597 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.216 -9.854 1.556 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -17.977 -10.540 -0.039 1.00 1.21 H new ATOM 573 N THR A 43 -15.554 -10.061 0.814 1.00 1.03 N ATOM 574 CA THR A 43 -14.143 -9.745 0.852 1.00 0.88 C ATOM 575 C THR A 43 -13.492 -10.059 -0.492 1.00 0.82 C ATOM 576 O THR A 43 -14.009 -10.866 -1.267 1.00 0.92 O ATOM 577 CB THR A 43 -13.432 -10.540 1.963 1.00 0.97 C ATOM 578 OG1 THR A 43 -13.655 -11.943 1.777 1.00 1.14 O ATOM 579 CG2 THR A 43 -13.930 -10.123 3.338 1.00 1.00 C ATOM 0 H THR A 43 -15.770 -11.039 1.007 1.00 1.03 H new ATOM 0 HA THR A 43 -14.044 -8.680 1.062 1.00 0.88 H new ATOM 0 HB THR A 43 -12.365 -10.327 1.903 1.00 0.97 H new ATOM 0 HG1 THR A 43 -13.199 -12.443 2.486 1.00 1.14 H new ATOM 0 HG21 THR A 43 -13.411 -10.700 4.103 1.00 1.00 H new ATOM 0 HG22 THR A 43 -13.734 -9.061 3.489 1.00 1.00 H new ATOM 0 HG23 THR A 43 -15.002 -10.308 3.408 1.00 1.00 H new ATOM 587 N SER A 44 -12.377 -9.411 -0.781 1.00 0.73 N ATOM 588 CA SER A 44 -11.645 -9.662 -2.013 1.00 0.69 C ATOM 589 C SER A 44 -10.152 -9.454 -1.795 1.00 0.59 C ATOM 590 O SER A 44 -9.751 -8.821 -0.819 1.00 0.60 O ATOM 591 CB SER A 44 -12.148 -8.733 -3.111 1.00 0.72 C ATOM 592 OG SER A 44 -13.541 -8.882 -3.313 1.00 1.15 O ATOM 0 H SER A 44 -11.956 -8.704 -0.178 1.00 0.73 H new ATOM 0 HA SER A 44 -11.810 -10.696 -2.316 1.00 0.69 H new ATOM 0 HB2 SER A 44 -11.925 -7.699 -2.846 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.619 -8.945 -4.040 1.00 0.72 H new ATOM 0 HG SER A 44 -13.759 -8.687 -4.248 1.00 1.15 H new ATOM 598 N ARG A 45 -9.332 -9.975 -2.696 1.00 0.63 N ATOM 599 CA ARG A 45 -7.890 -9.872 -2.554 1.00 0.60 C ATOM 600 C ARG A 45 -7.216 -9.499 -3.866 1.00 0.51 C ATOM 601 O ARG A 45 -7.450 -10.107 -4.912 1.00 0.65 O ATOM 602 CB ARG A 45 -7.316 -11.178 -2.013 1.00 0.78 C ATOM 603 CG ARG A 45 -5.807 -11.187 -1.889 1.00 1.48 C ATOM 604 CD ARG A 45 -5.355 -10.245 -0.793 1.00 1.56 C ATOM 605 NE ARG A 45 -5.940 -10.589 0.500 1.00 1.96 N ATOM 606 CZ ARG A 45 -5.296 -11.219 1.479 1.00 2.32 C ATOM 607 NH1 ARG A 45 -4.052 -11.637 1.312 1.00 2.28 N ATOM 608 NH2 ARG A 45 -5.918 -11.438 2.628 1.00 3.08 N ATOM 0 H ARG A 45 -9.641 -10.472 -3.531 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.686 -9.071 -1.843 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -7.751 -11.375 -1.033 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -7.621 -11.995 -2.667 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -5.461 -12.198 -1.673 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -5.357 -10.892 -2.837 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -4.268 -10.272 -0.718 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -5.631 -9.224 -1.056 1.00 1.56 H new ATOM 0 HE ARG A 45 -6.912 -10.328 0.664 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -3.575 -11.478 0.425 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -3.570 -12.119 2.071 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -6.880 -11.125 2.755 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -5.435 -11.920 3.386 1.00 3.08 H new ATOM 622 N ILE A 46 -6.387 -8.480 -3.783 1.00 0.38 N ATOM 623 CA ILE A 46 -5.585 -8.016 -4.900 1.00 0.33 C ATOM 624 C ILE A 46 -4.116 -8.282 -4.606 1.00 0.30 C ATOM 625 O ILE A 46 -3.639 -7.967 -3.518 1.00 0.34 O ATOM 626 CB ILE A 46 -5.781 -6.513 -5.155 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.222 -6.215 -5.568 1.00 0.44 C ATOM 628 CG2 ILE A 46 -4.818 -6.037 -6.225 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.175 -6.022 -4.405 1.00 0.40 C ATOM 0 H ILE A 46 -6.248 -7.942 -2.928 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.904 -8.556 -5.791 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.575 -5.977 -4.229 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.233 -5.316 -6.185 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.586 -7.033 -6.190 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -4.965 -4.971 -6.398 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.794 -6.214 -5.897 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.002 -6.584 -7.150 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.175 -5.815 -4.785 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.197 -6.928 -3.799 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -7.838 -5.185 -3.794 1.00 0.40 H new ATOM 641 N LYS A 47 -3.403 -8.868 -5.552 1.00 0.31 N ATOM 642 CA LYS A 47 -1.998 -9.178 -5.349 1.00 0.38 C ATOM 643 C LYS A 47 -1.131 -8.650 -6.482 1.00 0.41 C ATOM 644 O LYS A 47 -1.256 -9.083 -7.629 1.00 0.51 O ATOM 645 CB LYS A 47 -1.808 -10.681 -5.199 1.00 0.51 C ATOM 646 CG LYS A 47 -1.880 -11.166 -3.761 1.00 0.91 C ATOM 647 CD LYS A 47 -0.579 -10.898 -3.019 1.00 1.56 C ATOM 648 CE LYS A 47 0.552 -11.775 -3.535 1.00 2.17 C ATOM 649 NZ LYS A 47 0.250 -13.222 -3.380 1.00 2.74 N ATOM 0 H LYS A 47 -3.771 -9.138 -6.464 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.681 -8.680 -4.433 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.570 -11.195 -5.785 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -0.842 -10.960 -5.619 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -2.703 -10.668 -3.248 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -2.096 -12.234 -3.746 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -0.306 -9.849 -3.130 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -0.723 -11.079 -1.954 1.00 1.56 H new ATOM 0 HE2 LYS A 47 0.732 -11.553 -4.587 1.00 2.17 H new ATOM 0 HE3 LYS A 47 1.470 -11.537 -2.997 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 1.084 -13.712 -2.998 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 -0.551 -13.342 -2.727 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 0.005 -13.627 -4.306 1.00 2.74 H new ATOM 663 N GLN A 48 -0.263 -7.703 -6.156 1.00 0.40 N ATOM 664 CA GLN A 48 0.690 -7.171 -7.117 1.00 0.47 C ATOM 665 C GLN A 48 2.076 -7.107 -6.484 1.00 0.50 C ATOM 666 O GLN A 48 2.296 -6.379 -5.516 1.00 0.78 O ATOM 667 CB GLN A 48 0.259 -5.778 -7.587 1.00 0.52 C ATOM 668 CG GLN A 48 -1.118 -5.751 -8.234 1.00 0.55 C ATOM 669 CD GLN A 48 -1.500 -4.384 -8.769 1.00 0.82 C ATOM 670 OE1 GLN A 48 -2.242 -4.273 -9.747 1.00 1.63 O ATOM 671 NE2 GLN A 48 -0.998 -3.336 -8.139 1.00 1.37 N ATOM 0 H GLN A 48 -0.200 -7.286 -5.227 1.00 0.40 H new ATOM 0 HA GLN A 48 0.721 -7.831 -7.984 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.264 -5.099 -6.735 1.00 0.52 H new ATOM 0 HB3 GLN A 48 0.993 -5.401 -8.299 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -1.143 -6.473 -9.050 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.862 -6.069 -7.504 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -0.387 -3.470 -7.333 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -1.221 -2.394 -8.459 1.00 1.37 H new ATOM 680 N ALA A 49 3.006 -7.872 -7.028 1.00 0.32 N ATOM 681 CA ALA A 49 4.352 -7.929 -6.483 1.00 0.31 C ATOM 682 C ALA A 49 5.383 -7.684 -7.572 1.00 0.31 C ATOM 683 O ALA A 49 5.097 -7.859 -8.758 1.00 0.39 O ATOM 684 CB ALA A 49 4.590 -9.274 -5.814 1.00 0.33 C ATOM 0 H ALA A 49 2.855 -8.462 -7.846 1.00 0.32 H new ATOM 0 HA ALA A 49 4.457 -7.144 -5.734 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.602 -9.305 -5.409 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.872 -9.411 -5.006 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.468 -10.072 -6.547 1.00 0.33 H new ATOM 690 N GLY A 50 6.569 -7.257 -7.168 1.00 0.25 N ATOM 691 CA GLY A 50 7.642 -7.035 -8.113 1.00 0.26 C ATOM 692 C GLY A 50 8.751 -6.208 -7.516 1.00 0.23 C ATOM 693 O GLY A 50 9.030 -6.301 -6.319 1.00 0.25 O ATOM 0 H GLY A 50 6.808 -7.059 -6.196 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.041 -7.995 -8.442 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.250 -6.533 -8.997 1.00 0.26 H new ATOM 697 N ALA A 51 9.379 -5.401 -8.345 1.00 0.23 N ATOM 698 CA ALA A 51 10.446 -4.537 -7.906 1.00 0.21 C ATOM 699 C ALA A 51 10.276 -3.159 -8.528 1.00 0.23 C ATOM 700 O ALA A 51 9.765 -3.033 -9.645 1.00 0.38 O ATOM 701 CB ALA A 51 11.791 -5.133 -8.272 1.00 0.23 C ATOM 0 H ALA A 51 9.162 -5.328 -9.339 1.00 0.23 H new ATOM 0 HA ALA A 51 10.406 -4.438 -6.821 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.587 -4.469 -7.934 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.901 -6.105 -7.792 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.853 -5.253 -9.354 1.00 0.23 H new ATOM 707 N PHE A 52 10.694 -2.135 -7.811 1.00 0.15 N ATOM 708 CA PHE A 52 10.558 -0.768 -8.280 1.00 0.16 C ATOM 709 C PHE A 52 11.719 0.076 -7.756 1.00 0.14 C ATOM 710 O PHE A 52 12.480 -0.365 -6.888 1.00 0.16 O ATOM 711 CB PHE A 52 9.199 -0.199 -7.851 1.00 0.17 C ATOM 712 CG PHE A 52 8.911 1.195 -8.344 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.872 1.478 -9.698 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.690 2.220 -7.442 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.616 2.762 -10.143 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.435 3.505 -7.878 1.00 0.18 C ATOM 717 CZ PHE A 52 8.398 3.776 -9.231 1.00 0.23 C ATOM 0 H PHE A 52 11.134 -2.224 -6.895 1.00 0.15 H new ATOM 0 HA PHE A 52 10.595 -0.747 -9.369 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.413 -0.865 -8.209 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.148 -0.202 -6.762 1.00 0.17 H new ATOM 0 HD1 PHE A 52 9.043 0.688 -10.414 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.717 2.012 -6.382 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.587 2.972 -11.202 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.265 4.296 -7.162 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.199 4.780 -9.576 1.00 0.23 H new ATOM 727 N THR A 53 11.846 1.281 -8.280 1.00 0.15 N ATOM 728 CA THR A 53 12.966 2.144 -7.968 1.00 0.16 C ATOM 729 C THR A 53 12.644 3.051 -6.793 1.00 0.16 C ATOM 730 O THR A 53 11.708 3.851 -6.847 1.00 0.27 O ATOM 731 CB THR A 53 13.351 2.991 -9.183 1.00 0.21 C ATOM 732 OG1 THR A 53 12.366 2.832 -10.219 1.00 0.43 O ATOM 733 CG2 THR A 53 14.725 2.592 -9.698 1.00 0.40 C ATOM 0 H THR A 53 11.176 1.687 -8.933 1.00 0.15 H new ATOM 0 HA THR A 53 13.808 1.507 -7.697 1.00 0.16 H new ATOM 0 HB THR A 53 13.388 4.038 -8.883 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.616 3.377 -10.994 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.982 3.205 -10.562 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.466 2.743 -8.913 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.714 1.542 -9.989 1.00 0.40 H new ATOM 741 N ALA A 54 13.429 2.928 -5.739 1.00 0.13 N ATOM 742 CA ALA A 54 13.177 3.659 -4.515 1.00 0.13 C ATOM 743 C ALA A 54 14.315 4.632 -4.219 1.00 0.14 C ATOM 744 O ALA A 54 15.472 4.351 -4.516 1.00 0.23 O ATOM 745 CB ALA A 54 12.973 2.684 -3.358 1.00 0.15 C ATOM 0 H ALA A 54 14.251 2.325 -5.708 1.00 0.13 H new ATOM 0 HA ALA A 54 12.266 4.245 -4.638 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.784 3.242 -2.441 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.121 2.038 -3.572 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.868 2.074 -3.234 1.00 0.15 H new ATOM 751 N ILE A 55 13.976 5.784 -3.658 1.00 0.17 N ATOM 752 CA ILE A 55 14.976 6.784 -3.304 1.00 0.18 C ATOM 753 C ILE A 55 15.190 6.805 -1.808 1.00 0.16 C ATOM 754 O ILE A 55 14.252 6.620 -1.037 1.00 0.14 O ATOM 755 CB ILE A 55 14.582 8.186 -3.797 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.587 8.193 -5.318 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.520 9.246 -3.241 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.702 9.002 -5.941 1.00 0.33 C ATOM 0 H ILE A 55 13.016 6.050 -3.438 1.00 0.17 H new ATOM 0 HA ILE A 55 15.906 6.505 -3.799 1.00 0.18 H new ATOM 0 HB ILE A 55 13.581 8.426 -3.439 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.660 7.165 -5.673 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.632 8.584 -5.669 1.00 0.26 H new ATOM 0 HG21 ILE A 55 15.217 10.227 -3.606 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.477 9.235 -2.152 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.539 9.036 -3.566 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.626 8.950 -7.027 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.620 10.041 -5.621 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.664 8.600 -5.624 1.00 0.33 H new ATOM 770 N ALA A 56 16.436 7.014 -1.419 1.00 0.17 N ATOM 771 CA ALA A 56 16.807 7.055 -0.011 1.00 0.18 C ATOM 772 C ALA A 56 16.076 8.157 0.729 1.00 0.17 C ATOM 773 O ALA A 56 16.157 9.329 0.353 1.00 0.20 O ATOM 774 CB ALA A 56 18.298 7.235 0.168 1.00 0.22 C ATOM 0 H ALA A 56 17.214 7.159 -2.062 1.00 0.17 H new ATOM 0 HA ALA A 56 16.515 6.094 0.412 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.536 7.261 1.231 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.824 6.404 -0.302 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.610 8.170 -0.297 1.00 0.22 H new ATOM 780 N GLU A 57 15.366 7.760 1.781 1.00 0.16 N ATOM 781 CA GLU A 57 14.596 8.673 2.602 1.00 0.18 C ATOM 782 C GLU A 57 13.504 9.317 1.758 1.00 0.19 C ATOM 783 O GLU A 57 13.109 10.465 1.965 1.00 0.28 O ATOM 784 CB GLU A 57 15.517 9.706 3.227 1.00 0.23 C ATOM 785 CG GLU A 57 16.627 9.078 4.061 1.00 0.27 C ATOM 786 CD GLU A 57 17.671 10.085 4.480 1.00 0.74 C ATOM 787 OE1 GLU A 57 17.494 10.721 5.539 1.00 0.75 O ATOM 788 OE2 GLU A 57 18.675 10.253 3.752 1.00 1.33 O ATOM 0 H GLU A 57 15.312 6.788 2.085 1.00 0.16 H new ATOM 0 HA GLU A 57 14.114 8.130 3.415 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.961 10.315 2.439 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.931 10.376 3.856 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.194 8.616 4.949 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.103 8.282 3.488 1.00 0.27 H new ATOM 795 N GLN A 58 13.044 8.541 0.790 1.00 0.16 N ATOM 796 CA GLN A 58 11.977 8.931 -0.094 1.00 0.18 C ATOM 797 C GLN A 58 10.861 7.921 -0.026 1.00 0.17 C ATOM 798 O GLN A 58 11.091 6.712 -0.037 1.00 0.19 O ATOM 799 CB GLN A 58 12.466 9.046 -1.513 1.00 0.20 C ATOM 800 CG GLN A 58 12.330 10.438 -2.052 1.00 0.28 C ATOM 801 CD GLN A 58 10.890 10.898 -2.220 1.00 0.70 C ATOM 802 OE1 GLN A 58 10.579 12.078 -2.054 1.00 1.38 O ATOM 803 NE2 GLN A 58 10.006 9.980 -2.577 1.00 1.48 N ATOM 0 H GLN A 58 13.413 7.609 0.600 1.00 0.16 H new ATOM 0 HA GLN A 58 11.610 9.906 0.226 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.511 8.741 -1.560 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.905 8.358 -2.145 1.00 0.20 H new ATOM 0 HG2 GLN A 58 12.845 11.128 -1.383 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.833 10.494 -3.017 1.00 0.28 H new ATOM 0 HE21 GLN A 58 10.300 9.012 -2.705 1.00 1.48 H new ATOM 0 HE22 GLN A 58 9.031 10.241 -2.724 1.00 1.48 H new ATOM 812 N ARG A 59 9.664 8.428 0.071 1.00 0.16 N ATOM 813 CA ARG A 59 8.480 7.593 0.078 1.00 0.17 C ATOM 814 C ARG A 59 8.152 7.095 -1.321 1.00 0.17 C ATOM 815 O ARG A 59 8.009 7.876 -2.261 1.00 0.22 O ATOM 816 CB ARG A 59 7.296 8.351 0.649 1.00 0.24 C ATOM 817 CG ARG A 59 7.167 8.228 2.153 1.00 0.30 C ATOM 818 CD ARG A 59 8.228 9.006 2.894 1.00 0.44 C ATOM 819 NE ARG A 59 8.008 10.449 2.810 1.00 1.37 N ATOM 820 CZ ARG A 59 7.596 11.203 3.832 1.00 1.72 C ATOM 821 NH1 ARG A 59 7.345 10.656 5.016 1.00 1.51 N ATOM 822 NH2 ARG A 59 7.422 12.507 3.661 1.00 2.72 N ATOM 0 H ARG A 59 9.474 9.427 0.148 1.00 0.16 H new ATOM 0 HA ARG A 59 8.686 6.730 0.711 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.388 9.405 0.385 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.381 7.985 0.183 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.182 8.582 2.459 1.00 0.30 H new ATOM 0 HG3 ARG A 59 7.230 7.177 2.434 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.237 8.701 3.940 1.00 0.44 H new ATOM 0 HD3 ARG A 59 9.208 8.764 2.483 1.00 0.44 H new ATOM 0 HE ARG A 59 8.180 10.908 1.915 1.00 1.37 H new ATOM 0 HH11 ARG A 59 7.467 9.652 5.150 1.00 1.51 H new ATOM 0 HH12 ARG A 59 7.031 11.240 5.791 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.603 12.931 2.751 1.00 2.72 H new ATOM 0 HH22 ARG A 59 7.107 13.086 4.440 1.00 2.72 H new ATOM 836 N VAL A 60 8.049 5.789 -1.442 1.00 0.13 N ATOM 837 CA VAL A 60 7.715 5.142 -2.688 1.00 0.14 C ATOM 838 C VAL A 60 6.407 4.394 -2.526 1.00 0.13 C ATOM 839 O VAL A 60 6.349 3.383 -1.838 1.00 0.12 O ATOM 840 CB VAL A 60 8.846 4.166 -3.097 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.430 3.279 -4.261 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.088 4.954 -3.453 1.00 0.15 C ATOM 0 H VAL A 60 8.197 5.141 -0.668 1.00 0.13 H new ATOM 0 HA VAL A 60 7.606 5.892 -3.472 1.00 0.14 H new ATOM 0 HB VAL A 60 9.056 3.513 -2.250 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.250 2.608 -4.519 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.557 2.692 -3.977 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.185 3.900 -5.122 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.884 4.268 -3.741 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.868 5.624 -4.284 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.407 5.539 -2.591 1.00 0.15 H new ATOM 852 N THR A 61 5.355 4.876 -3.159 1.00 0.15 N ATOM 853 CA THR A 61 4.066 4.249 -2.979 1.00 0.15 C ATOM 854 C THR A 61 3.871 3.158 -4.006 1.00 0.16 C ATOM 855 O THR A 61 4.046 3.370 -5.209 1.00 0.19 O ATOM 856 CB THR A 61 2.905 5.252 -3.029 1.00 0.17 C ATOM 857 OG1 THR A 61 3.316 6.511 -2.480 1.00 0.19 O ATOM 858 CG2 THR A 61 1.737 4.708 -2.237 1.00 0.19 C ATOM 0 H THR A 61 5.367 5.680 -3.787 1.00 0.15 H new ATOM 0 HA THR A 61 4.058 3.813 -1.980 1.00 0.15 H new ATOM 0 HB THR A 61 2.606 5.401 -4.067 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.569 7.144 -2.518 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.911 5.419 -2.271 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.417 3.759 -2.667 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.040 4.554 -1.201 1.00 0.19 H new ATOM 866 N VAL A 62 3.522 1.986 -3.518 1.00 0.15 N ATOM 867 CA VAL A 62 3.587 0.794 -4.319 1.00 0.15 C ATOM 868 C VAL A 62 2.251 0.068 -4.417 1.00 0.15 C ATOM 869 O VAL A 62 1.505 -0.020 -3.441 1.00 0.16 O ATOM 870 CB VAL A 62 4.691 -0.136 -3.758 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.443 -1.607 -4.072 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.049 0.311 -4.277 1.00 0.16 C ATOM 0 H VAL A 62 3.190 1.839 -2.565 1.00 0.15 H new ATOM 0 HA VAL A 62 3.836 1.089 -5.338 1.00 0.15 H new ATOM 0 HB VAL A 62 4.670 -0.052 -2.671 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.249 -2.209 -3.654 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.494 -1.917 -3.635 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.408 -1.748 -5.152 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.824 -0.345 -3.881 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.056 0.264 -5.366 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.242 1.335 -3.957 1.00 0.16 H new ATOM 882 N GLY A 63 1.965 -0.435 -5.617 1.00 0.18 N ATOM 883 CA GLY A 63 0.764 -1.211 -5.842 1.00 0.21 C ATOM 884 C GLY A 63 -0.454 -0.344 -6.042 1.00 0.20 C ATOM 885 O GLY A 63 -1.255 -0.187 -5.131 1.00 0.28 O ATOM 0 H GLY A 63 2.553 -0.315 -6.442 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.903 -1.844 -6.718 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.599 -1.874 -4.993 1.00 0.21 H new ATOM 889 N ASN A 64 -0.603 0.214 -7.233 1.00 0.33 N ATOM 890 CA ASN A 64 -1.732 1.081 -7.517 1.00 0.40 C ATOM 891 C ASN A 64 -2.936 0.266 -7.942 1.00 0.37 C ATOM 892 O ASN A 64 -2.976 -0.317 -9.025 1.00 0.52 O ATOM 893 CB ASN A 64 -1.383 2.141 -8.575 1.00 0.67 C ATOM 894 CG ASN A 64 -0.724 1.573 -9.818 1.00 1.31 C ATOM 895 OD1 ASN A 64 -1.394 1.177 -10.772 1.00 2.17 O ATOM 896 ND2 ASN A 64 0.601 1.550 -9.827 1.00 1.98 N ATOM 0 H ASN A 64 0.040 0.082 -8.013 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.982 1.611 -6.598 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -2.294 2.665 -8.865 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.718 2.881 -8.129 1.00 0.67 H new ATOM 0 HD21 ASN A 64 1.099 1.196 -10.643 1.00 1.98 H new ATOM 0 HD22 ASN A 64 1.122 1.887 -9.018 1.00 1.98 H new ATOM 903 N VAL A 65 -3.907 0.209 -7.055 1.00 0.25 N ATOM 904 CA VAL A 65 -5.170 -0.436 -7.342 1.00 0.33 C ATOM 905 C VAL A 65 -6.295 0.556 -7.083 1.00 0.27 C ATOM 906 O VAL A 65 -6.224 1.341 -6.138 1.00 0.35 O ATOM 907 CB VAL A 65 -5.368 -1.718 -6.492 1.00 0.43 C ATOM 908 CG1 VAL A 65 -4.110 -2.573 -6.527 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.753 -1.395 -5.057 1.00 1.10 C ATOM 0 H VAL A 65 -3.843 0.607 -6.118 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.177 -0.745 -8.387 1.00 0.33 H new ATOM 0 HB VAL A 65 -6.193 -2.279 -6.931 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.263 -3.470 -5.926 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -3.893 -2.858 -7.556 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.272 -2.004 -6.124 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -5.882 -2.322 -4.497 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -4.967 -0.798 -4.595 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.687 -0.833 -5.049 1.00 1.10 H new ATOM 919 N VAL A 66 -7.306 0.565 -7.928 1.00 0.25 N ATOM 920 CA VAL A 66 -8.379 1.530 -7.777 1.00 0.23 C ATOM 921 C VAL A 66 -9.701 0.833 -7.508 1.00 0.24 C ATOM 922 O VAL A 66 -10.185 0.037 -8.315 1.00 0.27 O ATOM 923 CB VAL A 66 -8.510 2.454 -9.003 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.606 3.486 -8.780 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.185 3.141 -9.298 1.00 0.29 C ATOM 0 H VAL A 66 -7.408 -0.075 -8.716 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.123 2.152 -6.920 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.781 1.844 -9.864 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.684 4.129 -9.656 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.557 2.978 -8.617 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.364 4.091 -7.906 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.297 3.789 -10.167 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.885 3.737 -8.437 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.423 2.389 -9.502 1.00 0.29 H new ATOM 935 N LEU A 67 -10.265 1.140 -6.358 1.00 0.22 N ATOM 936 CA LEU A 67 -11.507 0.544 -5.918 1.00 0.23 C ATOM 937 C LEU A 67 -12.623 1.565 -6.055 1.00 0.24 C ATOM 938 O LEU A 67 -12.361 2.752 -6.266 1.00 0.26 O ATOM 939 CB LEU A 67 -11.425 0.116 -4.448 1.00 0.21 C ATOM 940 CG LEU A 67 -10.157 -0.619 -3.986 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.752 -1.698 -4.979 1.00 0.25 C ATOM 942 CD2 LEU A 67 -9.002 0.341 -3.736 1.00 0.18 C ATOM 0 H LEU A 67 -9.872 1.813 -5.700 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.701 -0.334 -6.534 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.538 1.008 -3.832 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.280 -0.527 -4.238 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.397 -1.099 -3.037 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -8.852 -2.200 -4.624 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.559 -2.425 -5.076 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.555 -1.244 -5.950 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.126 -0.220 -3.411 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.769 0.877 -4.656 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.283 1.055 -2.962 1.00 0.18 H new ATOM 954 N ASP A 68 -13.861 1.121 -5.947 1.00 0.26 N ATOM 955 CA ASP A 68 -14.969 2.053 -5.840 1.00 0.28 C ATOM 956 C ASP A 68 -14.962 2.641 -4.435 1.00 0.28 C ATOM 957 O ASP A 68 -14.858 1.912 -3.444 1.00 0.30 O ATOM 958 CB ASP A 68 -16.312 1.382 -6.160 1.00 0.32 C ATOM 959 CG ASP A 68 -16.841 0.502 -5.042 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.304 -0.614 -4.859 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.778 0.925 -4.336 1.00 1.25 O ATOM 0 H ASP A 68 -14.123 0.135 -5.931 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.846 2.848 -6.575 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -17.049 2.154 -6.381 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.201 0.780 -7.062 1.00 0.32 H new ATOM 966 N TYR A 69 -15.026 3.957 -4.348 1.00 0.28 N ATOM 967 CA TYR A 69 -14.877 4.631 -3.068 1.00 0.27 C ATOM 968 C TYR A 69 -16.141 4.546 -2.231 1.00 0.27 C ATOM 969 O TYR A 69 -17.232 4.886 -2.687 1.00 0.30 O ATOM 970 CB TYR A 69 -14.489 6.094 -3.259 1.00 0.29 C ATOM 971 CG TYR A 69 -14.783 6.930 -2.043 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.162 6.660 -0.832 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.694 7.972 -2.104 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.454 7.409 0.297 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.987 8.725 -0.991 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.370 8.439 0.205 1.00 0.30 C ATOM 977 OH TYR A 69 -15.688 9.176 1.315 1.00 0.33 O ATOM 0 H TYR A 69 -15.179 4.579 -5.142 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.078 4.115 -2.535 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.426 6.158 -3.492 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.027 6.501 -4.115 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.443 5.857 -0.768 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.182 8.197 -3.041 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.971 7.190 1.238 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.697 9.536 -1.055 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.347 9.861 1.075 1.00 0.33 H new ATOM 987 N SER A 70 -15.983 4.070 -1.010 1.00 0.25 N ATOM 988 CA SER A 70 -17.038 4.130 -0.028 1.00 0.27 C ATOM 989 C SER A 70 -16.444 4.384 1.354 1.00 0.29 C ATOM 990 O SER A 70 -15.500 3.709 1.762 1.00 0.28 O ATOM 991 CB SER A 70 -17.854 2.855 -0.068 1.00 0.30 C ATOM 992 OG SER A 70 -18.849 2.915 -1.074 1.00 0.99 O ATOM 0 H SER A 70 -15.123 3.634 -0.677 1.00 0.25 H new ATOM 0 HA SER A 70 -17.709 4.957 -0.257 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.197 2.005 -0.253 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.323 2.690 0.902 1.00 0.30 H new ATOM 0 HG SER A 70 -18.564 3.533 -1.779 1.00 0.99 H new ATOM 998 N SER A 71 -16.986 5.367 2.058 1.00 0.36 N ATOM 999 CA SER A 71 -16.461 5.769 3.355 1.00 0.42 C ATOM 1000 C SER A 71 -16.780 4.737 4.433 1.00 0.43 C ATOM 1001 O SER A 71 -16.123 4.684 5.472 1.00 0.50 O ATOM 1002 CB SER A 71 -17.020 7.130 3.738 1.00 0.50 C ATOM 1003 OG SER A 71 -18.435 7.152 3.643 1.00 0.54 O ATOM 0 H SER A 71 -17.796 5.905 1.750 1.00 0.36 H new ATOM 0 HA SER A 71 -15.376 5.835 3.277 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.718 7.376 4.756 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.598 7.895 3.087 1.00 0.50 H new ATOM 0 HG SER A 71 -18.766 8.039 3.897 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.792 3.922 4.178 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.178 2.866 5.100 1.00 0.43 C ATOM 1011 C ALA A 72 -17.597 1.531 4.660 1.00 0.40 C ATOM 1012 O ALA A 72 -17.845 0.496 5.277 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.688 2.774 5.189 1.00 0.47 C ATOM 0 H ALA A 72 -18.364 3.973 3.335 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.780 3.108 6.086 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -19.964 1.980 5.882 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.090 3.722 5.545 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.098 2.554 4.203 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.817 1.565 3.590 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.249 0.351 3.026 1.00 0.30 C ATOM 1021 C ASN A 73 -14.957 0.004 3.733 1.00 0.33 C ATOM 1022 O ASN A 73 -14.159 0.886 4.055 1.00 0.47 O ATOM 1023 CB ASN A 73 -15.971 0.530 1.539 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.389 -0.676 0.716 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -16.376 -1.808 1.198 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.769 -0.443 -0.530 1.00 0.95 N ATOM 0 H ASN A 73 -16.563 2.420 3.095 1.00 0.32 H new ATOM 0 HA ASN A 73 -16.969 -0.456 3.161 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.500 1.412 1.178 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.907 0.714 1.392 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -17.065 -1.216 -1.126 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -16.766 0.510 -0.894 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.749 -1.273 3.984 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.508 -1.718 4.571 1.00 0.35 C ATOM 1035 C ARG A 74 -12.535 -2.107 3.474 1.00 0.27 C ATOM 1036 O ARG A 74 -12.716 -3.102 2.780 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.748 -2.889 5.520 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.598 -2.527 6.727 1.00 0.73 C ATOM 1039 CD ARG A 74 -13.900 -1.515 7.621 1.00 1.02 C ATOM 1040 NE ARG A 74 -14.701 -1.168 8.791 1.00 1.49 N ATOM 1041 CZ ARG A 74 -14.414 -1.549 10.037 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.383 -2.353 10.272 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -15.173 -1.147 11.046 1.00 2.50 N ATOM 0 H ARG A 74 -15.422 -2.015 3.791 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.079 -0.901 5.151 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.234 -3.696 4.972 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.787 -3.271 5.864 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.552 -2.120 6.392 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.819 -3.428 7.300 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -12.942 -1.920 7.946 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.687 -0.613 7.048 1.00 1.02 H new ATOM 0 HE ARG A 74 -15.534 -0.597 8.647 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -12.806 -2.682 9.498 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -13.168 -2.641 11.227 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -15.978 -0.546 10.871 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -14.952 -1.439 11.998 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.518 -1.294 3.309 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.456 -1.578 2.371 1.00 0.14 C ATOM 1059 C TYR A 75 -9.147 -1.644 3.123 1.00 0.13 C ATOM 1060 O TYR A 75 -8.785 -0.694 3.813 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.376 -0.493 1.304 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.490 -0.561 0.303 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.739 -1.740 -0.355 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.287 0.540 0.015 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.745 -1.846 -1.275 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.307 0.449 -0.913 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.532 -0.751 -1.557 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.549 -0.857 -2.478 1.00 0.35 O ATOM 0 H TYR A 75 -11.403 -0.419 3.820 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.658 -2.530 1.880 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.391 0.484 1.787 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.423 -0.576 0.782 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.126 -2.603 -0.141 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -12.108 1.477 0.522 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -12.922 -2.785 -1.779 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.922 1.309 -1.132 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.730 0.024 -2.868 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.454 -2.755 3.020 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.190 -2.908 3.705 1.00 0.13 C ATOM 1080 C ALA A 76 -6.097 -3.289 2.740 1.00 0.12 C ATOM 1081 O ALA A 76 -6.356 -3.632 1.593 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.276 -3.927 4.816 1.00 0.16 C ATOM 0 H ALA A 76 -8.743 -3.564 2.470 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.948 -1.943 4.149 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.306 -4.013 5.306 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.024 -3.610 5.543 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.560 -4.894 4.401 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.877 -3.220 3.213 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.724 -3.476 2.390 1.00 0.13 C ATOM 1090 C ALA A 77 -2.640 -4.110 3.221 1.00 0.14 C ATOM 1091 O ALA A 77 -2.688 -4.066 4.439 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.231 -2.183 1.772 1.00 0.12 C ATOM 0 H ALA A 77 -4.657 -2.984 4.181 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.998 -4.160 1.587 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.358 -2.386 1.151 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -4.020 -1.749 1.158 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.959 -1.483 2.562 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.688 -4.712 2.560 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.534 -5.270 3.216 1.00 0.16 C ATOM 1100 C ARG A 78 0.638 -5.281 2.255 1.00 0.14 C ATOM 1101 O ARG A 78 0.591 -5.918 1.202 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.816 -6.663 3.728 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.128 -7.668 2.672 1.00 0.56 C ATOM 1104 CD ARG A 78 -0.942 -9.011 3.287 1.00 1.56 C ATOM 1105 NE ARG A 78 0.326 -9.628 2.903 1.00 2.06 N ATOM 1106 CZ ARG A 78 0.932 -10.589 3.600 1.00 2.77 C ATOM 1107 NH1 ARG A 78 0.358 -11.087 4.692 1.00 3.25 N ATOM 1108 NH2 ARG A 78 2.107 -11.055 3.194 1.00 3.35 N ATOM 0 H ARG A 78 -1.690 -4.830 1.547 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.288 -4.649 4.077 1.00 0.16 H new ATOM 0 HB2 ARG A 78 0.049 -7.009 4.294 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.654 -6.616 4.424 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -2.150 -7.546 2.312 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -0.470 -7.542 1.812 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -0.985 -8.920 4.372 1.00 1.56 H new ATOM 0 HD3 ARG A 78 -1.764 -9.661 2.989 1.00 1.56 H new ATOM 0 HE ARG A 78 0.776 -9.303 2.047 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -0.548 -10.733 4.998 1.00 3.25 H new ATOM 0 HH12 ARG A 78 0.824 -11.822 5.223 1.00 3.25 H new ATOM 0 HH21 ARG A 78 2.542 -10.678 2.352 1.00 3.35 H new ATOM 0 HH22 ARG A 78 2.575 -11.790 3.724 1.00 3.35 H new ATOM 1122 N LEU A 79 1.676 -4.548 2.584 1.00 0.17 N ATOM 1123 CA LEU A 79 2.839 -4.524 1.735 1.00 0.15 C ATOM 1124 C LEU A 79 4.007 -5.165 2.441 1.00 0.15 C ATOM 1125 O LEU A 79 4.457 -4.693 3.484 1.00 0.22 O ATOM 1126 CB LEU A 79 3.202 -3.107 1.303 1.00 0.16 C ATOM 1127 CG LEU A 79 3.758 -3.006 -0.122 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.048 -1.563 -0.479 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.000 -3.879 -0.306 1.00 0.16 C ATOM 0 H LEU A 79 1.738 -3.969 3.421 1.00 0.17 H new ATOM 0 HA LEU A 79 2.601 -5.090 0.835 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.315 -2.478 1.380 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.940 -2.705 1.998 1.00 0.16 H new ATOM 0 HG LEU A 79 2.996 -3.382 -0.804 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.442 -1.511 -1.494 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.129 -0.981 -0.417 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.783 -1.157 0.216 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.365 -3.781 -1.328 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.776 -3.559 0.389 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.745 -4.920 -0.110 1.00 0.16 H new ATOM 1141 N ASP A 80 4.473 -6.246 1.863 1.00 0.12 N ATOM 1142 CA ASP A 80 5.641 -6.934 2.349 1.00 0.12 C ATOM 1143 C ASP A 80 6.844 -6.488 1.531 1.00 0.11 C ATOM 1144 O ASP A 80 6.789 -6.465 0.310 1.00 0.15 O ATOM 1145 CB ASP A 80 5.420 -8.443 2.252 1.00 0.15 C ATOM 1146 CG ASP A 80 6.595 -9.255 2.758 1.00 1.16 C ATOM 1147 OD1 ASP A 80 7.492 -9.565 1.949 1.00 2.22 O ATOM 1148 OD2 ASP A 80 6.653 -9.545 3.971 1.00 1.06 O ATOM 0 H ASP A 80 4.050 -6.674 1.039 1.00 0.12 H new ATOM 0 HA ASP A 80 5.825 -6.692 3.396 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.530 -8.710 2.822 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.224 -8.708 1.213 1.00 0.15 H new ATOM 1153 N VAL A 81 7.900 -6.065 2.185 1.00 0.09 N ATOM 1154 CA VAL A 81 9.092 -5.665 1.467 1.00 0.10 C ATOM 1155 C VAL A 81 10.226 -6.609 1.813 1.00 0.12 C ATOM 1156 O VAL A 81 10.770 -6.558 2.911 1.00 0.13 O ATOM 1157 CB VAL A 81 9.520 -4.223 1.795 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.560 -3.751 0.802 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.327 -3.278 1.817 1.00 0.09 C ATOM 0 H VAL A 81 7.961 -5.988 3.200 1.00 0.09 H new ATOM 0 HA VAL A 81 8.861 -5.708 0.403 1.00 0.10 H new ATOM 0 HB VAL A 81 9.958 -4.218 2.793 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.856 -2.730 1.043 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.432 -4.403 0.851 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.142 -3.780 -0.204 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.666 -2.269 2.052 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.843 -3.280 0.840 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.616 -3.607 2.575 1.00 0.09 H new ATOM 1169 N SER A 82 10.567 -7.469 0.880 1.00 0.14 N ATOM 1170 CA SER A 82 11.659 -8.395 1.058 1.00 0.17 C ATOM 1171 C SER A 82 12.686 -8.179 -0.047 1.00 0.20 C ATOM 1172 O SER A 82 12.460 -8.546 -1.204 1.00 0.25 O ATOM 1173 CB SER A 82 11.138 -9.835 1.035 1.00 0.21 C ATOM 1174 OG SER A 82 10.410 -10.094 -0.154 1.00 0.82 O ATOM 0 H SER A 82 10.095 -7.545 -0.021 1.00 0.14 H new ATOM 0 HA SER A 82 12.132 -8.220 2.024 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.975 -10.529 1.112 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.500 -10.008 1.901 1.00 0.21 H new ATOM 0 HG SER A 82 10.863 -9.671 -0.913 1.00 0.82 H new ATOM 1180 N PHE A 83 13.796 -7.558 0.301 1.00 0.21 N ATOM 1181 CA PHE A 83 14.829 -7.246 -0.668 1.00 0.24 C ATOM 1182 C PHE A 83 16.207 -7.401 -0.039 1.00 0.24 C ATOM 1183 O PHE A 83 16.721 -6.478 0.601 1.00 0.23 O ATOM 1184 CB PHE A 83 14.645 -5.824 -1.215 1.00 0.26 C ATOM 1185 CG PHE A 83 15.705 -5.429 -2.206 1.00 0.27 C ATOM 1186 CD1 PHE A 83 15.972 -6.222 -3.311 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.446 -4.275 -2.019 1.00 0.29 C ATOM 1188 CE1 PHE A 83 16.956 -5.867 -4.213 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.432 -3.918 -2.917 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.687 -4.716 -4.016 1.00 0.34 C ATOM 0 H PHE A 83 14.006 -7.258 1.253 1.00 0.21 H new ATOM 0 HA PHE A 83 14.745 -7.946 -1.500 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.667 -5.748 -1.689 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.652 -5.118 -0.384 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.405 -7.127 -3.468 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.251 -3.647 -1.162 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.152 -6.491 -5.072 1.00 0.34 H new ATOM 0 HE2 PHE A 83 18.004 -3.015 -2.761 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.458 -4.438 -4.719 1.00 0.34 H new ATOM 1200 N GLY A 84 16.788 -8.578 -0.206 1.00 0.30 N ATOM 1201 CA GLY A 84 18.097 -8.844 0.346 1.00 0.34 C ATOM 1202 C GLY A 84 18.062 -8.956 1.854 1.00 0.34 C ATOM 1203 O GLY A 84 17.588 -9.955 2.398 1.00 0.41 O ATOM 0 H GLY A 84 16.373 -9.357 -0.717 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.488 -9.769 -0.078 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.782 -8.046 0.057 1.00 0.34 H new ATOM 1207 N SER A 85 18.531 -7.920 2.529 1.00 0.32 N ATOM 1208 CA SER A 85 18.605 -7.924 3.980 1.00 0.36 C ATOM 1209 C SER A 85 17.340 -7.354 4.618 1.00 0.31 C ATOM 1210 O SER A 85 17.117 -7.509 5.818 1.00 0.35 O ATOM 1211 CB SER A 85 19.824 -7.139 4.425 1.00 0.43 C ATOM 1212 OG SER A 85 19.845 -5.847 3.845 1.00 0.42 O ATOM 0 H SER A 85 18.868 -7.062 2.093 1.00 0.32 H new ATOM 0 HA SER A 85 18.692 -8.958 4.313 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.826 -7.052 5.512 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.729 -7.680 4.147 1.00 0.43 H new ATOM 0 HG SER A 85 20.641 -5.364 4.151 1.00 0.42 H new ATOM 1218 N VAL A 86 16.507 -6.702 3.818 1.00 0.24 N ATOM 1219 CA VAL A 86 15.271 -6.135 4.338 1.00 0.20 C ATOM 1220 C VAL A 86 14.104 -7.097 4.138 1.00 0.17 C ATOM 1221 O VAL A 86 13.952 -7.695 3.072 1.00 0.18 O ATOM 1222 CB VAL A 86 14.919 -4.765 3.694 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.567 -4.906 2.220 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.779 -4.106 4.452 1.00 0.19 C ATOM 0 H VAL A 86 16.661 -6.554 2.821 1.00 0.24 H new ATOM 0 HA VAL A 86 15.439 -5.972 5.403 1.00 0.20 H new ATOM 0 HB VAL A 86 15.804 -4.132 3.759 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.327 -3.926 1.808 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.416 -5.328 1.682 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.705 -5.565 2.113 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.542 -3.147 3.991 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.901 -4.751 4.421 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.075 -3.947 5.489 1.00 0.19 H new ATOM 1234 N THR A 87 13.320 -7.285 5.184 1.00 0.17 N ATOM 1235 CA THR A 87 12.047 -7.975 5.072 1.00 0.17 C ATOM 1236 C THR A 87 11.083 -7.417 6.114 1.00 0.15 C ATOM 1237 O THR A 87 11.319 -7.523 7.320 1.00 0.18 O ATOM 1238 CB THR A 87 12.198 -9.496 5.263 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.283 -9.986 4.461 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.919 -10.203 4.860 1.00 0.23 C ATOM 0 H THR A 87 13.544 -6.967 6.127 1.00 0.17 H new ATOM 0 HA THR A 87 11.658 -7.809 4.068 1.00 0.17 H new ATOM 0 HB THR A 87 12.404 -9.695 6.315 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.374 -10.953 4.589 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.038 -11.278 4.999 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.095 -9.846 5.478 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.703 -9.995 3.812 1.00 0.23 H new ATOM 1248 N ILE A 88 10.002 -6.821 5.636 1.00 0.12 N ATOM 1249 CA ILE A 88 9.058 -6.097 6.485 1.00 0.11 C ATOM 1250 C ILE A 88 7.668 -6.184 5.891 1.00 0.10 C ATOM 1251 O ILE A 88 7.514 -6.594 4.746 1.00 0.11 O ATOM 1252 CB ILE A 88 9.410 -4.610 6.608 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.100 -3.906 5.299 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.867 -4.421 6.994 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.534 -2.469 5.273 1.00 0.09 C ATOM 0 H ILE A 88 9.751 -6.823 4.647 1.00 0.12 H new ATOM 0 HA ILE A 88 9.105 -6.558 7.472 1.00 0.11 H new ATOM 0 HB ILE A 88 8.805 -4.170 7.401 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.589 -4.440 4.484 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.027 -3.956 5.114 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.087 -3.356 7.074 1.00 0.14 H new ATOM 0 HG22 ILE A 88 11.055 -4.903 7.953 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.506 -4.868 6.232 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.281 -2.030 4.308 1.00 0.09 H new ATOM 0 HD12 ILE A 88 9.025 -1.921 6.066 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.612 -2.412 5.426 1.00 0.09 H new ATOM 1267 N GLN A 89 6.657 -5.814 6.657 1.00 0.11 N ATOM 1268 CA GLN A 89 5.317 -5.709 6.110 1.00 0.14 C ATOM 1269 C GLN A 89 4.482 -4.684 6.876 1.00 0.14 C ATOM 1270 O GLN A 89 4.652 -4.500 8.083 1.00 0.20 O ATOM 1271 CB GLN A 89 4.619 -7.072 6.102 1.00 0.22 C ATOM 1272 CG GLN A 89 4.345 -7.640 7.485 1.00 0.68 C ATOM 1273 CD GLN A 89 3.652 -8.984 7.429 1.00 1.04 C ATOM 1274 OE1 GLN A 89 2.844 -9.314 8.294 1.00 1.53 O ATOM 1275 NE2 GLN A 89 3.970 -9.775 6.416 1.00 1.88 N ATOM 0 H GLN A 89 6.736 -5.584 7.648 1.00 0.11 H new ATOM 0 HA GLN A 89 5.410 -5.365 5.080 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.675 -6.981 5.565 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.234 -7.780 5.546 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.286 -7.741 8.026 1.00 0.68 H new ATOM 0 HG3 GLN A 89 3.728 -6.939 8.047 1.00 0.68 H new ATOM 0 HE21 GLN A 89 4.646 -9.464 5.718 1.00 1.88 H new ATOM 0 HE22 GLN A 89 3.539 -10.696 6.333 1.00 1.88 H new ATOM 1284 N CYS A 90 3.581 -4.025 6.165 1.00 0.20 N ATOM 1285 CA CYS A 90 2.664 -3.064 6.766 1.00 0.21 C ATOM 1286 C CYS A 90 1.254 -3.342 6.263 1.00 0.23 C ATOM 1287 O CYS A 90 1.088 -3.897 5.182 1.00 0.31 O ATOM 1288 CB CYS A 90 3.062 -1.629 6.437 1.00 0.22 C ATOM 1289 SG CYS A 90 4.716 -1.111 7.028 1.00 0.97 S ATOM 0 H CYS A 90 3.463 -4.139 5.158 1.00 0.20 H new ATOM 0 HA CYS A 90 2.705 -3.176 7.849 1.00 0.21 H new ATOM 0 HB2 CYS A 90 3.026 -1.500 5.355 1.00 0.22 H new ATOM 0 HB3 CYS A 90 2.317 -0.957 6.863 1.00 0.22 H new ATOM 1294 N ASN A 91 0.247 -2.950 7.030 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.137 -3.340 6.740 1.00 0.18 C ATOM 1296 C ASN A 91 -2.097 -2.172 6.946 1.00 0.16 C ATOM 1297 O ASN A 91 -2.084 -1.524 7.993 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.539 -4.516 7.633 1.00 0.20 C ATOM 1299 CG ASN A 91 -2.976 -4.969 7.435 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -3.258 -5.836 6.608 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -3.892 -4.403 8.205 1.00 1.82 N ATOM 0 H ASN A 91 0.355 -2.363 7.857 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.196 -3.640 5.694 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -0.872 -5.355 7.436 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.397 -4.234 8.676 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -4.870 -4.682 8.124 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -3.620 -3.688 8.879 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.933 -1.916 5.944 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.812 -0.747 5.954 1.00 0.13 C ATOM 1310 C LEU A 92 -4.984 -0.935 6.904 1.00 0.14 C ATOM 1311 O LEU A 92 -5.660 -1.966 6.883 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.348 -0.403 4.551 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.590 0.501 4.531 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.276 1.906 5.040 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.161 0.589 3.136 1.00 0.12 C ATOM 0 H LEU A 92 -3.022 -2.502 5.114 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.197 0.084 6.301 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.554 0.084 3.985 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.585 -1.332 4.032 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.325 0.050 5.198 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.180 2.514 5.010 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -4.911 1.848 6.066 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.512 2.360 4.408 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.040 1.234 3.143 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.412 1.004 2.462 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.444 -0.407 2.795 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.206 0.063 7.742 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.416 0.145 8.540 1.00 0.19 C ATOM 1329 C ASP A 93 -7.514 0.783 7.709 1.00 0.17 C ATOM 1330 O ASP A 93 -7.444 1.967 7.396 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.169 0.965 9.811 1.00 0.26 C ATOM 1332 CG ASP A 93 -5.412 0.187 10.867 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -6.059 -0.523 11.667 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -4.168 0.273 10.900 1.00 2.13 O ATOM 0 H ASP A 93 -4.556 0.835 7.888 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.719 -0.859 8.839 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.608 1.864 9.556 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.125 1.291 10.220 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.539 0.006 7.323 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.628 0.496 6.466 1.00 0.19 C ATOM 1341 C PRO A 94 -10.355 1.684 7.083 1.00 0.23 C ATOM 1342 O PRO A 94 -11.041 2.441 6.397 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.577 -0.702 6.353 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.186 -1.625 7.454 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.720 -1.410 7.676 1.00 0.21 C ATOM 0 HA PRO A 94 -9.254 0.848 5.505 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.617 -0.390 6.453 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.482 -1.187 5.382 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.753 -1.412 8.360 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.392 -2.661 7.185 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.434 -1.609 8.709 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.116 -2.064 7.047 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.174 1.839 8.382 1.00 0.26 N ATOM 1354 CA GLU A 95 -10.748 2.939 9.134 1.00 0.34 C ATOM 1355 C GLU A 95 -10.025 4.251 8.834 1.00 0.32 C ATOM 1356 O GLU A 95 -10.244 5.252 9.505 1.00 0.46 O ATOM 1357 CB GLU A 95 -10.700 2.624 10.629 1.00 0.44 C ATOM 1358 CG GLU A 95 -11.459 1.374 10.995 1.00 0.69 C ATOM 1359 CD GLU A 95 -11.316 0.995 12.454 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -10.348 0.285 12.799 1.00 1.42 O ATOM 1361 OE2 GLU A 95 -12.177 1.390 13.264 1.00 1.21 O ATOM 0 H GLU A 95 -9.619 1.198 8.950 1.00 0.26 H new ATOM 0 HA GLU A 95 -11.788 3.061 8.830 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -9.660 2.514 10.938 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.110 3.467 11.185 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -12.515 1.517 10.765 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -11.107 0.549 10.376 1.00 0.69 H new ATOM 1368 N THR A 96 -9.106 4.225 7.875 1.00 0.23 N ATOM 1369 CA THR A 96 -8.401 5.423 7.466 1.00 0.24 C ATOM 1370 C THR A 96 -8.834 5.906 6.073 1.00 0.23 C ATOM 1371 O THR A 96 -8.631 7.068 5.727 1.00 0.30 O ATOM 1372 CB THR A 96 -6.890 5.182 7.473 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.537 4.231 6.466 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.433 4.676 8.833 1.00 0.31 C ATOM 0 H THR A 96 -8.835 3.382 7.368 1.00 0.23 H new ATOM 0 HA THR A 96 -8.656 6.201 8.186 1.00 0.24 H new ATOM 0 HB THR A 96 -6.394 6.130 7.265 1.00 0.25 H new ATOM 0 HG1 THR A 96 -6.589 3.326 6.838 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.356 4.511 8.817 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.675 5.415 9.596 1.00 0.31 H new ATOM 0 HG23 THR A 96 -6.940 3.739 9.062 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.439 5.003 5.299 1.00 0.20 N ATOM 1383 CA VAL A 97 -9.885 5.273 3.912 1.00 0.23 C ATOM 1384 C VAL A 97 -10.573 6.628 3.735 1.00 0.29 C ATOM 1385 O VAL A 97 -10.356 7.295 2.730 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.848 4.169 3.416 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.503 4.552 2.089 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.112 2.846 3.277 1.00 0.51 C ATOM 0 H VAL A 97 -9.639 4.053 5.611 1.00 0.20 H new ATOM 0 HA VAL A 97 -8.970 5.285 3.319 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.637 4.059 4.160 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.173 3.754 1.770 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.071 5.473 2.216 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.732 4.702 1.333 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.804 2.080 2.927 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.299 2.956 2.559 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.705 2.553 4.245 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.364 7.037 4.718 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.265 8.183 4.570 1.00 0.38 C ATOM 1400 C LYS A 98 -11.516 9.438 4.161 1.00 0.40 C ATOM 1401 O LYS A 98 -10.946 10.137 4.999 1.00 0.47 O ATOM 1402 CB LYS A 98 -13.068 8.468 5.849 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.818 7.270 6.449 1.00 0.71 C ATOM 1404 CD LYS A 98 -12.898 6.277 7.153 1.00 0.53 C ATOM 1405 CE LYS A 98 -11.798 6.989 7.906 1.00 1.34 C ATOM 1406 NZ LYS A 98 -12.321 7.818 9.024 1.00 2.40 N ATOM 0 H LYS A 98 -11.403 6.591 5.635 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.963 7.909 3.779 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -12.386 8.860 6.603 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.791 9.254 5.633 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.561 7.633 7.159 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.360 6.754 5.656 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -13.479 5.666 7.844 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -12.461 5.600 6.420 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -11.096 6.254 8.300 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.241 7.623 7.216 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -11.971 8.793 8.926 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.361 7.819 8.999 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -11.997 7.423 9.930 1.00 2.40 H new ATOM 1420 N LEU A 99 -11.506 9.684 2.850 1.00 0.47 N ATOM 1421 CA LEU A 99 -11.010 10.929 2.287 1.00 0.58 C ATOM 1422 C LEU A 99 -9.526 11.124 2.566 1.00 0.73 C ATOM 1423 O LEU A 99 -9.038 12.251 2.659 1.00 1.33 O ATOM 1424 CB LEU A 99 -11.822 12.101 2.827 1.00 0.53 C ATOM 1425 CG LEU A 99 -13.252 12.225 2.289 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -13.275 12.145 0.770 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -14.150 11.159 2.892 1.00 0.76 C ATOM 0 H LEU A 99 -11.843 9.021 2.152 1.00 0.47 H new ATOM 0 HA LEU A 99 -11.128 10.882 1.204 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -11.868 12.017 3.913 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -11.288 13.024 2.601 1.00 0.53 H new ATOM 0 HG LEU A 99 -13.634 13.203 2.582 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -14.302 12.236 0.416 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -12.675 12.954 0.354 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -12.864 11.187 0.450 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -15.160 11.267 2.496 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -13.764 10.172 2.638 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -14.172 11.272 3.976 1.00 0.76 H new ATOM 1439 N GLU A 100 -8.814 10.020 2.690 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.385 10.061 2.911 1.00 1.25 C ATOM 1441 C GLU A 100 -6.667 10.010 1.568 1.00 2.09 C ATOM 1442 O GLU A 100 -7.241 9.566 0.571 1.00 2.87 O ATOM 1443 CB GLU A 100 -6.956 8.894 3.796 1.00 2.15 C ATOM 1444 CG GLU A 100 -5.600 9.090 4.450 1.00 2.70 C ATOM 1445 CD GLU A 100 -5.582 10.270 5.400 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -6.265 10.207 6.446 1.00 4.09 O ATOM 1447 OE2 GLU A 100 -4.874 11.258 5.113 1.00 4.13 O ATOM 0 H GLU A 100 -9.207 9.080 2.641 1.00 1.05 H new ATOM 0 HA GLU A 100 -7.121 10.988 3.420 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -7.706 8.744 4.573 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -6.932 7.984 3.196 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -5.328 8.185 4.994 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -4.845 9.237 3.678 1.00 2.70 H new ATOM 1454 N HIS A 101 -5.436 10.500 1.534 1.00 2.68 N ATOM 1455 CA HIS A 101 -4.620 10.463 0.326 1.00 3.89 C ATOM 1456 C HIS A 101 -3.173 10.811 0.657 1.00 4.59 C ATOM 1457 O HIS A 101 -2.695 11.881 0.235 1.00 5.06 O ATOM 1458 CB HIS A 101 -5.179 11.405 -0.758 1.00 4.61 C ATOM 1459 CG HIS A 101 -5.509 12.789 -0.279 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -4.632 13.846 -0.367 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -6.636 13.287 0.283 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -5.201 14.930 0.121 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -6.417 14.618 0.521 1.00 6.64 N ATOM 0 H HIS A 101 -4.976 10.932 2.336 1.00 2.68 H new ATOM 0 HA HIS A 101 -4.651 9.450 -0.075 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -4.451 11.479 -1.566 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -6.079 10.957 -1.180 1.00 4.61 H new ATOM 0 HD2 HIS A 101 -7.539 12.737 0.503 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -4.747 15.908 0.183 1.00 6.69 H new ATOM 0 HE2 HIS A 101 -7.087 15.263 0.940 1.00 6.64 H new TER 1472 HIS A 101