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 180:sc= -0.717 USER MOD Set 1.2: A 73 ASN : amide:sc= 1.23 K(o=2.4,f=-1.3!) USER MOD Set 1.3: A 75 TYR OH : rot -141:sc= 1.92 USER MOD Set 2.1: A 37 LYS NZ :NH3+ -159:sc= -0.25 (180deg=-0.279) USER MOD Set 2.2: A 44 SER OG : rot -140:sc= -0.204 USER MOD Set 3.1: A 32 LYS NZ :NH3+ 157:sc= 0.432 (180deg=0) USER MOD Set 3.2: A 82 SER OG : rot -120:sc= 0.62 USER MOD Set 4.1: A 14 HIS : no HD1:sc= -0.791 K(o=-2.2,f=-3.4) USER MOD Set 4.2: A 16 THR OG1 : rot -150:sc= -1.45 USER MOD Set 5.1: A 1 MET CE :methyl -168:sc= 0 (180deg=0) USER MOD Set 5.2: A 3 GLN : amide:sc= -0.701 X(o=-0.7,f=-0.72) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.402 F(o=-1.3!,f=-0.4) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -66:sc= 0.141 USER MOD Single : A 31 TYR OH : rot -140:sc= -0.306 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0511 USER MOD Single : A 58 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.85) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 64 ASN : amide:sc= 0.394 K(o=0.39,f=-5.7!) USER MOD Single : A 69 TYR OH : rot 172:sc= -4.23! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 87 THR OG1 : rot -24:sc= 0.924 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.0026 X(o=-0.0026,f=-0.0034) USER MOD Single : A 96 THR OG1 : rot -53:sc= 0.398 USER MOD Single : A 98 LYS NZ :NH3+ -144:sc= 1.47 (180deg=-2.67!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.216 -0.498 3.459 1.00 1.09 N ATOM 2 CA MET A 1 17.001 -0.935 4.179 1.00 0.39 C ATOM 3 C MET A 1 15.773 -0.203 3.653 1.00 0.30 C ATOM 4 O MET A 1 15.766 1.025 3.544 1.00 0.45 O ATOM 5 CB MET A 1 17.149 -0.678 5.683 1.00 1.38 C ATOM 6 CG MET A 1 15.953 -1.142 6.502 1.00 2.13 C ATOM 7 SD MET A 1 16.182 -0.905 8.275 1.00 3.23 S ATOM 8 CE MET A 1 14.628 -1.546 8.895 1.00 3.75 C ATOM 0 H1 MET A 1 19.042 -1.008 3.831 1.00 1.09 H new ATOM 0 H2 MET A 1 18.111 -0.703 2.445 1.00 1.09 H new ATOM 0 H3 MET A 1 18.350 0.524 3.594 1.00 1.09 H new ATOM 0 HA MET A 1 16.874 -2.004 4.010 1.00 0.39 H new ATOM 0 HB2 MET A 1 18.044 -1.185 6.043 1.00 1.38 H new ATOM 0 HB3 MET A 1 17.299 0.389 5.848 1.00 1.38 H new ATOM 0 HG2 MET A 1 15.065 -0.598 6.180 1.00 2.13 H new ATOM 0 HG3 MET A 1 15.770 -2.198 6.302 1.00 2.13 H new ATOM 0 HE1 MET A 1 14.518 -1.280 9.946 1.00 3.75 H new ATOM 0 HE2 MET A 1 13.804 -1.118 8.324 1.00 3.75 H new ATOM 0 HE3 MET A 1 14.615 -2.631 8.792 1.00 3.75 H new ATOM 20 N VAL A 2 14.743 -0.964 3.317 1.00 0.15 N ATOM 21 CA VAL A 2 13.485 -0.391 2.869 1.00 0.10 C ATOM 22 C VAL A 2 12.485 -0.350 4.030 1.00 0.09 C ATOM 23 O VAL A 2 12.566 -1.150 4.961 1.00 0.12 O ATOM 24 CB VAL A 2 12.877 -1.184 1.681 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.643 -0.492 1.167 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.875 -1.350 0.551 1.00 0.09 C ATOM 0 H VAL A 2 14.755 -1.984 3.347 1.00 0.15 H new ATOM 0 HA VAL A 2 13.691 0.622 2.523 1.00 0.10 H new ATOM 0 HB VAL A 2 12.613 -2.175 2.051 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.228 -1.060 0.334 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.904 -0.426 1.965 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.903 0.511 0.829 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.414 -1.910 -0.263 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.181 -0.369 0.188 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.749 -1.891 0.914 1.00 0.09 H new ATOM 36 N GLN A 3 11.565 0.597 3.966 1.00 0.09 N ATOM 37 CA GLN A 3 10.527 0.782 4.959 1.00 0.10 C ATOM 38 C GLN A 3 9.187 0.625 4.263 1.00 0.11 C ATOM 39 O GLN A 3 9.136 0.637 3.036 1.00 0.17 O ATOM 40 CB GLN A 3 10.624 2.183 5.555 1.00 0.16 C ATOM 41 CG GLN A 3 11.957 2.503 6.193 1.00 0.79 C ATOM 42 CD GLN A 3 12.309 1.602 7.363 1.00 1.14 C ATOM 43 OE1 GLN A 3 13.483 1.324 7.609 1.00 1.37 O ATOM 44 NE2 GLN A 3 11.305 1.159 8.107 1.00 2.03 N ATOM 0 H GLN A 3 11.520 1.273 3.204 1.00 0.09 H new ATOM 0 HA GLN A 3 10.636 0.051 5.760 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.427 2.913 4.769 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.840 2.301 6.303 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.739 2.424 5.438 1.00 0.79 H new ATOM 0 HG3 GLN A 3 11.947 3.538 6.534 1.00 0.79 H new ATOM 0 HE21 GLN A 3 10.345 1.411 7.871 1.00 2.03 H new ATOM 0 HE22 GLN A 3 11.492 0.566 8.915 1.00 2.03 H new ATOM 53 N CYS A 4 8.105 0.483 5.005 1.00 0.12 N ATOM 54 CA CYS A 4 6.821 0.317 4.358 1.00 0.13 C ATOM 55 C CYS A 4 5.683 0.854 5.204 1.00 0.17 C ATOM 56 O CYS A 4 5.690 0.767 6.434 1.00 0.29 O ATOM 57 CB CYS A 4 6.584 -1.151 4.011 1.00 0.17 C ATOM 58 SG CYS A 4 5.765 -2.119 5.315 1.00 0.30 S ATOM 0 H CYS A 4 8.088 0.479 6.025 1.00 0.12 H new ATOM 0 HA CYS A 4 6.843 0.900 3.437 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.980 -1.203 3.105 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.543 -1.615 3.781 1.00 0.17 H new ATOM 63 N GLU A 5 4.712 1.407 4.506 1.00 0.14 N ATOM 64 CA GLU A 5 3.509 1.958 5.082 1.00 0.16 C ATOM 65 C GLU A 5 2.358 1.644 4.138 1.00 0.15 C ATOM 66 O GLU A 5 2.574 1.080 3.066 1.00 0.17 O ATOM 67 CB GLU A 5 3.640 3.474 5.277 1.00 0.24 C ATOM 68 CG GLU A 5 4.810 3.876 6.159 1.00 0.33 C ATOM 69 CD GLU A 5 4.924 5.372 6.349 1.00 1.14 C ATOM 70 OE1 GLU A 5 4.310 5.910 7.298 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.619 6.027 5.543 1.00 1.87 O ATOM 0 H GLU A 5 4.743 1.486 3.490 1.00 0.14 H new ATOM 0 HA GLU A 5 3.330 1.518 6.063 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.751 3.949 4.302 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.718 3.856 5.715 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.703 3.399 7.133 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.734 3.500 5.720 1.00 0.33 H new ATOM 78 N VAL A 6 1.149 1.991 4.523 1.00 0.17 N ATOM 79 CA VAL A 6 -0.025 1.652 3.744 1.00 0.18 C ATOM 80 C VAL A 6 -1.001 2.812 3.683 1.00 0.21 C ATOM 81 O VAL A 6 -1.436 3.329 4.712 1.00 0.33 O ATOM 82 CB VAL A 6 -0.725 0.425 4.332 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.108 -0.850 3.780 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.621 0.458 5.849 1.00 0.20 C ATOM 0 H VAL A 6 0.951 2.512 5.377 1.00 0.17 H new ATOM 0 HA VAL A 6 0.309 1.426 2.731 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.778 0.442 4.050 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.616 -1.715 4.207 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.215 -0.866 2.695 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.950 -0.885 4.041 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.120 -0.416 6.267 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.429 0.451 6.142 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.097 1.363 6.227 1.00 0.20 H new ATOM 94 N GLU A 7 -1.340 3.215 2.471 1.00 0.16 N ATOM 95 CA GLU A 7 -2.210 4.362 2.266 1.00 0.16 C ATOM 96 C GLU A 7 -3.396 4.019 1.389 1.00 0.16 C ATOM 97 O GLU A 7 -3.380 3.056 0.623 1.00 0.28 O ATOM 98 CB GLU A 7 -1.443 5.512 1.609 1.00 0.26 C ATOM 99 CG GLU A 7 -0.023 5.678 2.106 1.00 0.24 C ATOM 100 CD GLU A 7 0.302 7.114 2.454 1.00 1.05 C ATOM 101 OE1 GLU A 7 0.569 7.905 1.525 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.299 7.462 3.655 1.00 1.11 O ATOM 0 H GLU A 7 -1.026 2.764 1.612 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.569 4.662 3.251 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.422 5.350 0.531 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -1.987 6.441 1.781 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.127 5.051 2.985 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.670 5.326 1.342 1.00 0.24 H new ATOM 109 N ALA A 8 -4.422 4.830 1.517 1.00 0.14 N ATOM 110 CA ALA A 8 -5.560 4.784 0.634 1.00 0.12 C ATOM 111 C ALA A 8 -5.814 6.198 0.125 1.00 0.15 C ATOM 112 O ALA A 8 -5.991 7.119 0.922 1.00 0.17 O ATOM 113 CB ALA A 8 -6.759 4.255 1.387 1.00 0.13 C ATOM 0 H ALA A 8 -4.488 5.544 2.242 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.375 4.121 -0.211 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.621 4.220 0.720 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.544 3.252 1.755 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.978 4.911 2.229 1.00 0.13 H new ATOM 119 N ALA A 9 -5.831 6.378 -1.181 1.00 0.16 N ATOM 120 CA ALA A 9 -5.959 7.708 -1.758 1.00 0.19 C ATOM 121 C ALA A 9 -7.341 7.902 -2.355 1.00 0.19 C ATOM 122 O ALA A 9 -7.636 7.418 -3.447 1.00 0.20 O ATOM 123 CB ALA A 9 -4.885 7.920 -2.813 1.00 0.22 C ATOM 0 H ALA A 9 -5.758 5.624 -1.864 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.826 8.447 -0.968 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -4.987 8.917 -3.241 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.901 7.820 -2.355 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -4.996 7.175 -3.600 1.00 0.22 H new ATOM 129 N VAL A 10 -8.180 8.642 -1.656 1.00 0.22 N ATOM 130 CA VAL A 10 -9.552 8.820 -2.083 1.00 0.23 C ATOM 131 C VAL A 10 -9.693 10.009 -3.015 1.00 0.27 C ATOM 132 O VAL A 10 -9.230 11.110 -2.716 1.00 0.33 O ATOM 133 CB VAL A 10 -10.510 9.018 -0.897 1.00 0.25 C ATOM 134 CG1 VAL A 10 -11.936 9.150 -1.405 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.392 7.874 0.099 1.00 0.27 C ATOM 0 H VAL A 10 -7.936 9.128 -0.793 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.821 7.903 -2.608 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.235 9.935 -0.376 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.611 9.290 -0.561 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.006 10.009 -2.073 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.215 8.246 -1.946 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.081 8.040 0.927 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.639 6.934 -0.395 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.372 7.827 0.479 1.00 0.27 H new ATOM 145 N SER A 11 -10.314 9.767 -4.151 1.00 0.29 N ATOM 146 CA SER A 11 -10.677 10.820 -5.069 1.00 0.36 C ATOM 147 C SER A 11 -12.176 10.754 -5.325 1.00 0.45 C ATOM 148 O SER A 11 -12.855 9.884 -4.775 1.00 0.63 O ATOM 149 CB SER A 11 -9.894 10.690 -6.368 1.00 0.45 C ATOM 150 OG SER A 11 -8.513 10.500 -6.110 1.00 1.22 O ATOM 0 H SER A 11 -10.580 8.833 -4.462 1.00 0.29 H new ATOM 0 HA SER A 11 -10.430 11.788 -4.634 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.279 9.850 -6.947 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.035 11.585 -6.973 1.00 0.45 H new ATOM 0 HG SER A 11 -8.030 10.417 -6.959 1.00 1.22 H new ATOM 156 N GLY A 12 -12.694 11.674 -6.122 1.00 0.45 N ATOM 157 CA GLY A 12 -14.111 11.677 -6.428 1.00 0.54 C ATOM 158 C GLY A 12 -14.581 10.372 -7.048 1.00 0.49 C ATOM 159 O GLY A 12 -14.202 10.037 -8.172 1.00 0.61 O ATOM 0 H GLY A 12 -12.159 12.421 -6.564 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.675 11.864 -5.514 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.329 12.498 -7.111 1.00 0.54 H new ATOM 163 N GLY A 13 -15.365 9.620 -6.289 1.00 0.45 N ATOM 164 CA GLY A 13 -15.992 8.421 -6.806 1.00 0.48 C ATOM 165 C GLY A 13 -15.112 7.186 -6.740 1.00 0.41 C ATOM 166 O GLY A 13 -15.610 6.065 -6.837 1.00 0.45 O ATOM 0 H GLY A 13 -15.580 9.823 -5.313 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.908 8.232 -6.246 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.282 8.593 -7.843 1.00 0.48 H new ATOM 170 N HIS A 14 -13.814 7.364 -6.550 1.00 0.34 N ATOM 171 CA HIS A 14 -12.903 6.230 -6.562 1.00 0.31 C ATOM 172 C HIS A 14 -11.803 6.398 -5.530 1.00 0.30 C ATOM 173 O HIS A 14 -11.294 7.497 -5.319 1.00 0.43 O ATOM 174 CB HIS A 14 -12.299 6.027 -7.959 1.00 0.34 C ATOM 175 CG HIS A 14 -11.329 7.091 -8.392 1.00 0.79 C ATOM 176 ND1 HIS A 14 -9.961 6.982 -8.232 1.00 1.56 N ATOM 177 CD2 HIS A 14 -11.535 8.282 -9.005 1.00 1.57 C ATOM 178 CE1 HIS A 14 -9.375 8.055 -8.724 1.00 1.85 C ATOM 179 NE2 HIS A 14 -10.306 8.860 -9.201 1.00 1.82 N ATOM 0 H HIS A 14 -13.372 8.269 -6.388 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.479 5.342 -6.302 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.792 5.063 -7.982 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -13.110 5.978 -8.686 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -12.490 8.699 -9.287 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -8.312 8.244 -8.735 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -10.139 9.764 -9.643 1.00 1.82 H new ATOM 188 N VAL A 15 -11.440 5.301 -4.897 1.00 0.23 N ATOM 189 CA VAL A 15 -10.365 5.305 -3.931 1.00 0.20 C ATOM 190 C VAL A 15 -9.203 4.463 -4.452 1.00 0.18 C ATOM 191 O VAL A 15 -9.340 3.269 -4.696 1.00 0.17 O ATOM 192 CB VAL A 15 -10.850 4.816 -2.535 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.526 3.449 -2.605 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.704 4.791 -1.537 1.00 0.17 C ATOM 0 H VAL A 15 -11.878 4.391 -5.037 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.018 6.330 -3.798 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.596 5.532 -2.192 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.847 3.150 -1.607 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.393 3.505 -3.263 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.821 2.714 -2.995 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.071 4.446 -0.570 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.926 4.115 -1.893 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.292 5.794 -1.431 1.00 0.17 H new ATOM 204 N THR A 16 -8.073 5.111 -4.653 1.00 0.17 N ATOM 205 CA THR A 16 -6.889 4.457 -5.171 1.00 0.16 C ATOM 206 C THR A 16 -5.979 4.076 -4.018 1.00 0.14 C ATOM 207 O THR A 16 -5.496 4.930 -3.293 1.00 0.15 O ATOM 208 CB THR A 16 -6.140 5.387 -6.138 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.978 5.690 -7.265 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.834 4.762 -6.600 1.00 0.19 C ATOM 0 H THR A 16 -7.950 6.105 -4.462 1.00 0.17 H new ATOM 0 HA THR A 16 -7.189 3.561 -5.714 1.00 0.16 H new ATOM 0 HB THR A 16 -5.898 6.310 -5.612 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.420 5.847 -8.055 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.326 5.443 -7.283 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.196 4.572 -5.737 1.00 0.19 H new ATOM 0 HG23 THR A 16 -5.041 3.822 -7.112 1.00 0.19 H new ATOM 218 N LEU A 17 -5.740 2.801 -3.854 1.00 0.12 N ATOM 219 CA LEU A 17 -5.070 2.321 -2.668 1.00 0.10 C ATOM 220 C LEU A 17 -3.687 1.787 -2.995 1.00 0.13 C ATOM 221 O LEU A 17 -3.537 0.956 -3.888 1.00 0.17 O ATOM 222 CB LEU A 17 -5.912 1.244 -2.034 1.00 0.11 C ATOM 223 CG LEU A 17 -5.843 1.205 -0.520 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.221 0.952 0.045 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.848 0.161 -0.054 1.00 0.11 C ATOM 0 H LEU A 17 -5.998 2.076 -4.523 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.944 3.150 -1.972 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.950 1.387 -2.335 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.597 0.276 -2.425 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.493 2.169 -0.152 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.169 0.924 1.133 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.894 1.751 -0.266 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.596 -0.002 -0.324 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.815 0.151 1.035 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.153 -0.820 -0.417 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.859 0.401 -0.445 1.00 0.11 H new ATOM 237 N GLN A 18 -2.679 2.283 -2.279 1.00 0.15 N ATOM 238 CA GLN A 18 -1.301 1.884 -2.510 1.00 0.19 C ATOM 239 C GLN A 18 -0.515 1.902 -1.197 1.00 0.24 C ATOM 240 O GLN A 18 -0.815 2.684 -0.298 1.00 0.51 O ATOM 241 CB GLN A 18 -0.633 2.834 -3.499 1.00 0.32 C ATOM 242 CG GLN A 18 -1.468 3.165 -4.721 1.00 0.78 C ATOM 243 CD GLN A 18 -0.719 4.001 -5.741 1.00 1.03 C ATOM 244 OE1 GLN A 18 0.584 3.785 -5.850 1.00 1.58 O flip ATOM 245 NE2 GLN A 18 -1.309 4.821 -6.444 1.00 1.77 N flip ATOM 0 H GLN A 18 -2.797 2.966 -1.531 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.305 0.874 -2.920 1.00 0.19 H new ATOM 0 HB2 GLN A 18 -0.387 3.761 -2.982 1.00 0.32 H new ATOM 0 HB3 GLN A 18 0.308 2.393 -3.827 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -1.798 2.238 -5.191 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -2.364 3.701 -4.408 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -2.313 4.960 -6.332 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -0.794 5.361 -7.139 1.00 1.77 H new ATOM 254 N GLY A 19 0.503 1.059 -1.095 1.00 0.17 N ATOM 255 CA GLY A 19 1.327 1.036 0.101 1.00 0.18 C ATOM 256 C GLY A 19 2.598 1.846 -0.077 1.00 0.18 C ATOM 257 O GLY A 19 3.328 1.647 -1.043 1.00 0.19 O ATOM 0 H GLY A 19 0.774 0.391 -1.817 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.758 1.432 0.942 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.584 0.005 0.346 1.00 0.18 H new ATOM 261 N VAL A 20 2.871 2.757 0.847 1.00 0.17 N ATOM 262 CA VAL A 20 4.019 3.649 0.723 1.00 0.18 C ATOM 263 C VAL A 20 5.269 3.067 1.354 1.00 0.21 C ATOM 264 O VAL A 20 5.380 2.909 2.559 1.00 0.45 O ATOM 265 CB VAL A 20 3.727 5.040 1.315 1.00 0.19 C ATOM 266 CG1 VAL A 20 4.999 5.759 1.736 1.00 0.24 C ATOM 267 CG2 VAL A 20 2.971 5.889 0.313 1.00 0.20 C ATOM 0 H VAL A 20 2.315 2.899 1.690 1.00 0.17 H new ATOM 0 HA VAL A 20 4.203 3.760 -0.346 1.00 0.18 H new ATOM 0 HB VAL A 20 3.116 4.890 2.205 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.745 6.736 2.148 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.517 5.169 2.493 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.648 5.888 0.870 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.771 6.870 0.745 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.570 6.005 -0.590 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.028 5.403 0.063 1.00 0.20 H new ATOM 277 N ILE A 21 6.204 2.765 0.503 1.00 0.13 N ATOM 278 CA ILE A 21 7.499 2.271 0.893 1.00 0.11 C ATOM 279 C ILE A 21 8.493 3.409 0.975 1.00 0.13 C ATOM 280 O ILE A 21 8.907 3.957 -0.035 1.00 0.14 O ATOM 281 CB ILE A 21 7.978 1.228 -0.129 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.449 -0.131 0.252 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.492 1.184 -0.260 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.555 -1.098 -0.879 1.00 0.10 C ATOM 0 H ILE A 21 6.089 2.856 -0.506 1.00 0.13 H new ATOM 0 HA ILE A 21 7.422 1.807 1.876 1.00 0.11 H new ATOM 0 HB ILE A 21 7.588 1.523 -1.103 1.00 0.10 H new ATOM 0 HG12 ILE A 21 8.004 -0.511 1.110 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.407 -0.043 0.560 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.772 0.430 -0.995 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.858 2.159 -0.583 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.933 0.932 0.704 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.164 -2.067 -0.567 1.00 0.10 H new ATOM 0 HD12 ILE A 21 6.978 -0.730 -1.728 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.600 -1.205 -1.170 1.00 0.10 H new ATOM 296 N THR A 22 8.855 3.803 2.165 1.00 0.13 N ATOM 297 CA THR A 22 9.971 4.701 2.292 1.00 0.14 C ATOM 298 C THR A 22 11.215 3.874 2.196 1.00 0.14 C ATOM 299 O THR A 22 11.293 2.816 2.781 1.00 0.18 O ATOM 300 CB THR A 22 9.978 5.455 3.615 1.00 0.16 C ATOM 301 OG1 THR A 22 8.638 5.818 3.968 1.00 0.20 O ATOM 302 CG2 THR A 22 10.845 6.699 3.501 1.00 0.17 C ATOM 0 H THR A 22 8.408 3.526 3.039 1.00 0.13 H new ATOM 0 HA THR A 22 9.905 5.451 1.504 1.00 0.14 H new ATOM 0 HB THR A 22 10.390 4.812 4.393 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.644 6.302 4.820 1.00 0.20 H new ATOM 0 HG21 THR A 22 10.844 7.232 4.452 1.00 0.17 H new ATOM 0 HG22 THR A 22 11.865 6.410 3.248 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.448 7.349 2.721 1.00 0.17 H new ATOM 310 N ALA A 23 12.171 4.309 1.449 1.00 0.12 N ATOM 311 CA ALA A 23 13.372 3.539 1.341 1.00 0.12 C ATOM 312 C ALA A 23 14.534 4.388 1.753 1.00 0.14 C ATOM 313 O ALA A 23 14.758 5.428 1.179 1.00 0.16 O ATOM 314 CB ALA A 23 13.518 3.040 -0.073 1.00 0.11 C ATOM 0 H ALA A 23 12.152 5.176 0.912 1.00 0.12 H new ATOM 0 HA ALA A 23 13.334 2.671 2.000 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.432 2.453 -0.159 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.661 2.417 -0.329 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.566 3.889 -0.755 1.00 0.11 H new ATOM 320 N VAL A 24 15.257 3.960 2.763 1.00 0.16 N ATOM 321 CA VAL A 24 16.338 4.773 3.299 1.00 0.18 C ATOM 322 C VAL A 24 17.532 4.843 2.344 1.00 0.20 C ATOM 323 O VAL A 24 18.469 5.616 2.552 1.00 0.25 O ATOM 324 CB VAL A 24 16.799 4.265 4.674 1.00 0.22 C ATOM 325 CG1 VAL A 24 17.861 5.184 5.249 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.608 4.162 5.605 1.00 0.23 C ATOM 0 H VAL A 24 15.123 3.063 3.230 1.00 0.16 H new ATOM 0 HA VAL A 24 15.936 5.779 3.415 1.00 0.18 H new ATOM 0 HB VAL A 24 17.240 3.274 4.562 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.177 4.810 6.223 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.718 5.215 4.577 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.452 6.188 5.361 1.00 0.25 H new ATOM 0 HG21 VAL A 24 15.938 3.801 6.579 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.148 5.144 5.718 1.00 0.23 H new ATOM 0 HG23 VAL A 24 14.880 3.466 5.188 1.00 0.23 H new ATOM 336 N ARG A 25 17.503 4.062 1.280 1.00 0.21 N ATOM 337 CA ARG A 25 18.583 4.101 0.318 1.00 0.24 C ATOM 338 C ARG A 25 18.053 4.182 -1.104 1.00 0.23 C ATOM 339 O ARG A 25 17.057 3.544 -1.443 1.00 0.26 O ATOM 340 CB ARG A 25 19.484 2.897 0.497 1.00 0.33 C ATOM 341 CG ARG A 25 20.283 2.971 1.773 1.00 0.40 C ATOM 342 CD ARG A 25 21.349 4.038 1.684 1.00 0.73 C ATOM 343 NE ARG A 25 22.184 4.084 2.881 1.00 0.80 N ATOM 344 CZ ARG A 25 22.580 5.211 3.473 1.00 1.41 C ATOM 345 NH1 ARG A 25 22.177 6.389 3.013 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.376 5.157 4.534 1.00 1.42 N ATOM 0 H ARG A 25 16.755 3.403 1.064 1.00 0.21 H new ATOM 0 HA ARG A 25 19.169 5.002 0.497 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.880 1.990 0.500 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.164 2.824 -0.352 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.619 3.185 2.610 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.746 2.005 1.972 1.00 0.40 H new ATOM 0 HD2 ARG A 25 21.976 3.851 0.812 1.00 0.73 H new ATOM 0 HD3 ARG A 25 20.877 5.009 1.535 1.00 0.73 H new ATOM 0 HE ARG A 25 22.483 3.199 3.290 1.00 0.80 H new ATOM 0 HH11 ARG A 25 21.560 6.436 2.202 1.00 2.18 H new ATOM 0 HH12 ARG A 25 22.484 7.247 3.471 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.684 4.254 4.895 1.00 1.42 H new ATOM 0 HH22 ARG A 25 23.680 6.018 4.988 1.00 1.42 H new ATOM 360 N ASP A 26 18.717 4.992 -1.922 1.00 0.23 N ATOM 361 CA ASP A 26 18.308 5.202 -3.299 1.00 0.25 C ATOM 362 C ASP A 26 18.774 4.049 -4.170 1.00 0.24 C ATOM 363 O ASP A 26 19.862 3.503 -3.976 1.00 0.32 O ATOM 364 CB ASP A 26 18.867 6.523 -3.842 1.00 0.31 C ATOM 365 CG ASP A 26 20.366 6.482 -4.064 1.00 0.78 C ATOM 366 OD1 ASP A 26 21.120 6.691 -3.092 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.797 6.236 -5.210 1.00 1.54 O ATOM 0 H ASP A 26 19.548 5.516 -1.648 1.00 0.23 H new ATOM 0 HA ASP A 26 17.219 5.251 -3.323 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.372 6.762 -4.783 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.630 7.326 -3.144 1.00 0.31 H new ATOM 372 N GLY A 27 17.936 3.678 -5.113 1.00 0.24 N ATOM 373 CA GLY A 27 18.239 2.585 -5.995 1.00 0.26 C ATOM 374 C GLY A 27 16.987 1.825 -6.340 1.00 0.21 C ATOM 375 O GLY A 27 15.960 2.425 -6.648 1.00 0.23 O ATOM 0 H GLY A 27 17.035 4.124 -5.285 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.705 2.963 -6.905 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.959 1.917 -5.522 1.00 0.26 H new ATOM 379 N ALA A 28 17.050 0.515 -6.258 1.00 0.19 N ATOM 380 CA ALA A 28 15.897 -0.314 -6.546 1.00 0.18 C ATOM 381 C ALA A 28 15.842 -1.497 -5.602 1.00 0.24 C ATOM 382 O ALA A 28 16.876 -2.011 -5.174 1.00 0.45 O ATOM 383 CB ALA A 28 15.922 -0.782 -7.991 1.00 0.21 C ATOM 0 H ALA A 28 17.889 -0.002 -5.994 1.00 0.19 H new ATOM 0 HA ALA A 28 14.999 0.285 -6.396 1.00 0.18 H new ATOM 0 HB1 ALA A 28 15.048 -1.403 -8.187 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.909 0.083 -8.654 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.827 -1.362 -8.170 1.00 0.21 H new ATOM 389 N GLY A 29 14.634 -1.912 -5.278 1.00 0.15 N ATOM 390 CA GLY A 29 14.433 -3.042 -4.414 1.00 0.19 C ATOM 391 C GLY A 29 13.186 -3.779 -4.813 1.00 0.17 C ATOM 392 O GLY A 29 12.517 -3.387 -5.768 1.00 0.21 O ATOM 0 H GLY A 29 13.774 -1.474 -5.607 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.293 -3.709 -4.469 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.353 -2.709 -3.379 1.00 0.19 H new ATOM 396 N SER A 30 12.843 -4.815 -4.084 1.00 0.15 N ATOM 397 CA SER A 30 11.691 -5.615 -4.439 1.00 0.15 C ATOM 398 C SER A 30 10.743 -5.749 -3.262 1.00 0.13 C ATOM 399 O SER A 30 11.162 -5.921 -2.115 1.00 0.14 O ATOM 400 CB SER A 30 12.119 -6.983 -4.969 1.00 0.20 C ATOM 401 OG SER A 30 13.108 -7.581 -4.147 1.00 0.23 O ATOM 0 H SER A 30 13.339 -5.123 -3.248 1.00 0.15 H new ATOM 0 HA SER A 30 11.155 -5.104 -5.239 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.250 -7.638 -5.027 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.505 -6.875 -5.983 1.00 0.20 H new ATOM 0 HG SER A 30 13.934 -7.056 -4.194 1.00 0.23 H new ATOM 407 N TYR A 31 9.461 -5.646 -3.560 1.00 0.13 N ATOM 408 CA TYR A 31 8.427 -5.628 -2.546 1.00 0.11 C ATOM 409 C TYR A 31 7.089 -6.084 -3.128 1.00 0.13 C ATOM 410 O TYR A 31 6.892 -6.083 -4.346 1.00 0.18 O ATOM 411 CB TYR A 31 8.326 -4.234 -1.928 1.00 0.10 C ATOM 412 CG TYR A 31 8.944 -3.119 -2.751 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.313 -2.666 -3.898 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.137 -2.490 -2.360 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.839 -1.634 -4.639 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.663 -1.444 -3.101 1.00 0.09 C ATOM 417 CZ TYR A 31 10.009 -1.025 -4.238 1.00 0.11 C ATOM 418 OH TYR A 31 10.521 0.018 -4.970 1.00 0.13 O ATOM 0 H TYR A 31 9.108 -5.572 -4.514 1.00 0.13 H new ATOM 0 HA TYR A 31 8.693 -6.330 -1.756 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.274 -4.002 -1.763 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.806 -4.252 -0.950 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.392 -3.132 -4.216 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.651 -2.825 -1.471 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.336 -1.301 -5.535 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.578 -0.962 -2.790 1.00 0.09 H new ATOM 0 HH TYR A 31 11.496 -0.064 -5.019 1.00 0.13 H new ATOM 428 N LYS A 32 6.187 -6.489 -2.248 1.00 0.13 N ATOM 429 CA LYS A 32 4.921 -7.102 -2.638 1.00 0.14 C ATOM 430 C LYS A 32 3.746 -6.442 -1.926 1.00 0.14 C ATOM 431 O LYS A 32 3.588 -6.586 -0.713 1.00 0.13 O ATOM 432 CB LYS A 32 4.950 -8.594 -2.291 1.00 0.16 C ATOM 433 CG LYS A 32 5.763 -8.907 -1.054 1.00 0.17 C ATOM 434 CD LYS A 32 7.211 -9.234 -1.383 1.00 0.25 C ATOM 435 CE LYS A 32 7.339 -10.548 -2.132 1.00 0.40 C ATOM 436 NZ LYS A 32 8.762 -10.911 -2.354 1.00 1.26 N ATOM 0 H LYS A 32 6.310 -6.403 -1.239 1.00 0.13 H new ATOM 0 HA LYS A 32 4.792 -6.967 -3.712 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.929 -8.945 -2.144 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.359 -9.148 -3.136 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.730 -8.055 -0.375 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.313 -9.750 -0.529 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.637 -8.431 -1.984 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.790 -9.284 -0.461 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.844 -11.339 -1.568 1.00 0.40 H new ATOM 0 HE3 LYS A 32 6.828 -10.472 -3.092 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.840 -11.938 -2.498 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 9.120 -10.415 -3.195 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 9.324 -10.635 -1.524 1.00 1.26 H new ATOM 450 N LEU A 33 2.916 -5.734 -2.675 1.00 0.17 N ATOM 451 CA LEU A 33 1.758 -5.074 -2.094 1.00 0.17 C ATOM 452 C LEU A 33 0.487 -5.830 -2.449 1.00 0.19 C ATOM 453 O LEU A 33 0.165 -6.031 -3.622 1.00 0.27 O ATOM 454 CB LEU A 33 1.672 -3.604 -2.552 1.00 0.22 C ATOM 455 CG LEU A 33 0.509 -2.766 -1.976 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.781 -3.035 -2.722 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.310 -3.041 -0.490 1.00 0.49 C ATOM 0 H LEU A 33 3.021 -5.602 -3.681 1.00 0.17 H new ATOM 0 HA LEU A 33 1.869 -5.077 -1.010 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.609 -3.111 -2.292 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.596 -3.590 -3.639 1.00 0.22 H new ATOM 0 HG LEU A 33 0.776 -1.717 -2.103 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.581 -2.431 -2.294 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.654 -2.777 -3.773 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.038 -4.091 -2.636 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.516 -2.436 -0.115 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.082 -4.097 -0.343 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.221 -2.787 0.052 1.00 0.49 H new ATOM 469 N ALA A 34 -0.230 -6.246 -1.426 1.00 0.16 N ATOM 470 CA ALA A 34 -1.519 -6.891 -1.604 1.00 0.19 C ATOM 471 C ALA A 34 -2.613 -6.063 -0.935 1.00 0.18 C ATOM 472 O ALA A 34 -2.402 -5.496 0.134 1.00 0.25 O ATOM 473 CB ALA A 34 -1.485 -8.309 -1.050 1.00 0.25 C ATOM 0 H ALA A 34 0.060 -6.149 -0.453 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.742 -6.955 -2.669 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.459 -8.778 -1.191 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.724 -8.887 -1.575 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.248 -8.279 0.013 1.00 0.25 H new ATOM 479 N VAL A 35 -3.769 -5.977 -1.575 1.00 0.16 N ATOM 480 CA VAL A 35 -4.879 -5.189 -1.058 1.00 0.14 C ATOM 481 C VAL A 35 -6.086 -6.080 -0.811 1.00 0.16 C ATOM 482 O VAL A 35 -6.469 -6.886 -1.659 1.00 0.23 O ATOM 483 CB VAL A 35 -5.278 -4.042 -2.018 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.346 -3.156 -1.391 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.066 -3.212 -2.393 1.00 0.21 C ATOM 0 H VAL A 35 -3.964 -6.446 -2.459 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.545 -4.744 -0.121 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.688 -4.490 -2.923 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.610 -2.358 -2.085 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.231 -3.753 -1.172 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.963 -2.722 -0.467 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.368 -2.411 -3.068 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.627 -2.781 -1.493 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.330 -3.846 -2.888 1.00 0.21 H new ATOM 495 N ASP A 36 -6.668 -5.931 0.357 1.00 0.19 N ATOM 496 CA ASP A 36 -7.818 -6.716 0.754 1.00 0.24 C ATOM 497 C ASP A 36 -9.055 -5.839 0.797 1.00 0.25 C ATOM 498 O ASP A 36 -9.147 -4.913 1.598 1.00 0.31 O ATOM 499 CB ASP A 36 -7.563 -7.356 2.113 1.00 0.33 C ATOM 500 CG ASP A 36 -6.970 -8.745 1.994 1.00 1.05 C ATOM 501 OD1 ASP A 36 -5.755 -8.852 1.723 1.00 1.52 O ATOM 502 OD2 ASP A 36 -7.711 -9.736 2.163 1.00 1.67 O ATOM 0 H ASP A 36 -6.358 -5.261 1.061 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.983 -7.508 0.023 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.887 -6.723 2.689 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -8.500 -7.410 2.668 1.00 0.33 H new ATOM 507 N LYS A 37 -9.998 -6.130 -0.073 1.00 0.28 N ATOM 508 CA LYS A 37 -11.183 -5.312 -0.214 1.00 0.33 C ATOM 509 C LYS A 37 -12.432 -6.096 0.163 1.00 0.46 C ATOM 510 O LYS A 37 -12.598 -7.253 -0.226 1.00 0.63 O ATOM 511 CB LYS A 37 -11.248 -4.777 -1.639 1.00 0.42 C ATOM 512 CG LYS A 37 -12.633 -4.752 -2.237 1.00 0.95 C ATOM 513 CD LYS A 37 -12.604 -4.173 -3.639 1.00 0.77 C ATOM 514 CE LYS A 37 -13.953 -4.291 -4.330 1.00 1.13 C ATOM 515 NZ LYS A 37 -14.350 -5.705 -4.545 1.00 1.34 N ATOM 0 H LYS A 37 -9.966 -6.935 -0.699 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.132 -4.466 0.471 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -10.842 -3.765 -1.652 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -10.604 -5.387 -2.272 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.040 -5.763 -2.264 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.295 -4.158 -1.607 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -12.311 -3.124 -3.592 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -11.847 -4.690 -4.229 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -14.712 -3.789 -3.730 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -13.914 -3.776 -5.290 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -15.060 -5.755 -5.303 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.515 -6.263 -4.815 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -14.754 -6.090 -3.667 1.00 1.34 H new ATOM 529 N ALA A 38 -13.291 -5.466 0.947 1.00 0.41 N ATOM 530 CA ALA A 38 -14.502 -6.097 1.430 1.00 0.52 C ATOM 531 C ALA A 38 -15.631 -5.080 1.515 1.00 0.47 C ATOM 532 O ALA A 38 -15.427 -3.939 1.930 1.00 0.43 O ATOM 533 CB ALA A 38 -14.244 -6.726 2.789 1.00 0.60 C ATOM 0 H ALA A 38 -13.166 -4.505 1.264 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.801 -6.878 0.731 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -15.157 -7.200 3.150 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -13.457 -7.475 2.700 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.933 -5.955 3.494 1.00 0.60 H new ATOM 539 N GLY A 39 -16.819 -5.487 1.109 1.00 0.57 N ATOM 540 CA GLY A 39 -17.955 -4.597 1.161 1.00 0.60 C ATOM 541 C GLY A 39 -19.257 -5.356 1.226 1.00 0.81 C ATOM 542 O GLY A 39 -19.263 -6.569 1.452 1.00 0.96 O ATOM 0 H GLY A 39 -17.018 -6.418 0.744 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -17.869 -3.948 2.032 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.953 -3.953 0.282 1.00 0.60 H new ATOM 546 N ALA A 40 -20.359 -4.650 1.011 1.00 0.90 N ATOM 547 CA ALA A 40 -21.677 -5.265 1.023 1.00 1.14 C ATOM 548 C ALA A 40 -21.855 -6.174 -0.186 1.00 1.33 C ATOM 549 O ALA A 40 -22.742 -7.027 -0.210 1.00 1.57 O ATOM 550 CB ALA A 40 -22.757 -4.201 1.052 1.00 1.24 C ATOM 0 H ALA A 40 -20.365 -3.647 0.826 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.766 -5.872 1.924 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.737 -4.678 1.061 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.642 -3.591 1.948 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -22.669 -3.569 0.168 1.00 1.24 H new ATOM 556 N ALA A 41 -20.997 -5.994 -1.180 1.00 1.28 N ATOM 557 CA ALA A 41 -21.043 -6.799 -2.391 1.00 1.49 C ATOM 558 C ALA A 41 -20.086 -7.988 -2.306 1.00 1.45 C ATOM 559 O ALA A 41 -19.793 -8.631 -3.312 1.00 1.72 O ATOM 560 CB ALA A 41 -20.722 -5.944 -3.602 1.00 1.58 C ATOM 0 H ALA A 41 -20.256 -5.293 -1.170 1.00 1.28 H new ATOM 0 HA ALA A 41 -22.054 -7.193 -2.495 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -20.760 -6.558 -4.502 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -21.452 -5.138 -3.682 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -19.724 -5.520 -3.494 1.00 1.58 H new ATOM 566 N GLY A 42 -19.590 -8.265 -1.106 1.00 1.19 N ATOM 567 CA GLY A 42 -18.732 -9.417 -0.909 1.00 1.21 C ATOM 568 C GLY A 42 -17.291 -9.037 -0.649 1.00 1.01 C ATOM 569 O GLY A 42 -16.973 -7.860 -0.466 1.00 0.86 O ATOM 0 H GLY A 42 -19.767 -7.713 -0.267 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -19.106 -10.003 -0.069 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -18.781 -10.056 -1.791 1.00 1.21 H new ATOM 573 N THR A 43 -16.422 -10.035 -0.627 1.00 1.03 N ATOM 574 CA THR A 43 -15.009 -9.825 -0.384 1.00 0.88 C ATOM 575 C THR A 43 -14.193 -10.084 -1.648 1.00 0.82 C ATOM 576 O THR A 43 -14.601 -10.864 -2.510 1.00 0.92 O ATOM 577 CB THR A 43 -14.516 -10.747 0.743 1.00 0.97 C ATOM 578 OG1 THR A 43 -14.988 -12.085 0.521 1.00 1.14 O ATOM 579 CG2 THR A 43 -14.994 -10.253 2.099 1.00 1.00 C ATOM 0 H THR A 43 -16.679 -11.011 -0.777 1.00 1.03 H new ATOM 0 HA THR A 43 -14.873 -8.786 -0.086 1.00 0.88 H new ATOM 0 HB THR A 43 -13.426 -10.739 0.738 1.00 0.97 H new ATOM 0 HG1 THR A 43 -14.669 -12.668 1.241 1.00 1.14 H new ATOM 0 HG21 THR A 43 -14.632 -10.923 2.879 1.00 1.00 H new ATOM 0 HG22 THR A 43 -14.610 -9.248 2.276 1.00 1.00 H new ATOM 0 HG23 THR A 43 -16.084 -10.233 2.116 1.00 1.00 H new ATOM 587 N SER A 44 -13.050 -9.427 -1.753 1.00 0.73 N ATOM 588 CA SER A 44 -12.173 -9.583 -2.900 1.00 0.69 C ATOM 589 C SER A 44 -10.710 -9.590 -2.458 1.00 0.59 C ATOM 590 O SER A 44 -10.373 -9.072 -1.387 1.00 0.60 O ATOM 591 CB SER A 44 -12.418 -8.447 -3.890 1.00 0.72 C ATOM 592 OG SER A 44 -13.778 -8.406 -4.294 1.00 1.15 O ATOM 0 H SER A 44 -12.706 -8.774 -1.049 1.00 0.73 H new ATOM 0 HA SER A 44 -12.390 -10.535 -3.384 1.00 0.69 H new ATOM 0 HB2 SER A 44 -12.142 -7.497 -3.433 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.780 -8.578 -4.764 1.00 0.72 H new ATOM 0 HG SER A 44 -13.829 -8.205 -5.252 1.00 1.15 H new ATOM 598 N ARG A 45 -9.849 -10.175 -3.280 1.00 0.63 N ATOM 599 CA ARG A 45 -8.428 -10.264 -2.968 1.00 0.60 C ATOM 600 C ARG A 45 -7.587 -9.724 -4.121 1.00 0.51 C ATOM 601 O ARG A 45 -7.537 -10.316 -5.200 1.00 0.65 O ATOM 602 CB ARG A 45 -8.045 -11.717 -2.674 1.00 0.78 C ATOM 603 CG ARG A 45 -8.680 -12.275 -1.410 1.00 1.48 C ATOM 604 CD ARG A 45 -7.879 -11.912 -0.171 1.00 1.56 C ATOM 605 NE ARG A 45 -6.626 -12.662 -0.097 1.00 1.96 N ATOM 606 CZ ARG A 45 -5.828 -12.686 0.971 1.00 2.32 C ATOM 607 NH1 ARG A 45 -6.073 -11.902 2.014 1.00 2.28 N ATOM 608 NH2 ARG A 45 -4.757 -13.470 0.977 1.00 3.08 N ATOM 0 H ARG A 45 -10.111 -10.597 -4.171 1.00 0.63 H new ATOM 0 HA ARG A 45 -8.231 -9.657 -2.084 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -8.337 -12.338 -3.521 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -6.961 -11.787 -2.586 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -9.695 -11.890 -1.313 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -8.756 -13.359 -1.489 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -7.664 -10.844 -0.177 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -8.476 -12.112 0.719 1.00 1.56 H new ATOM 0 HE ARG A 45 -6.344 -13.202 -0.915 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -6.877 -11.275 2.003 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -5.457 -11.927 2.827 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -4.546 -14.052 0.166 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -4.145 -13.491 1.792 1.00 3.08 H new ATOM 622 N ILE A 46 -6.937 -8.598 -3.889 1.00 0.38 N ATOM 623 CA ILE A 46 -6.050 -7.996 -4.873 1.00 0.33 C ATOM 624 C ILE A 46 -4.606 -8.167 -4.420 1.00 0.30 C ATOM 625 O ILE A 46 -4.290 -7.890 -3.268 1.00 0.34 O ATOM 626 CB ILE A 46 -6.347 -6.499 -5.069 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.776 -6.294 -5.571 1.00 0.44 C ATOM 628 CG2 ILE A 46 -5.355 -5.886 -6.040 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.801 -6.137 -4.467 1.00 0.40 C ATOM 0 H ILE A 46 -7.007 -8.075 -3.016 1.00 0.38 H new ATOM 0 HA ILE A 46 -6.214 -8.499 -5.826 1.00 0.33 H new ATOM 0 HB ILE A 46 -6.246 -6.001 -4.105 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.803 -5.409 -6.206 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -8.056 -7.143 -6.195 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.578 -4.827 -6.168 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -4.344 -5.999 -5.647 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.429 -6.391 -7.003 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.789 -5.996 -4.905 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.805 -7.031 -3.844 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -8.548 -5.270 -3.856 1.00 0.40 H new ATOM 641 N LYS A 47 -3.730 -8.633 -5.293 1.00 0.31 N ATOM 642 CA LYS A 47 -2.357 -8.883 -4.888 1.00 0.38 C ATOM 643 C LYS A 47 -1.373 -8.613 -6.021 1.00 0.41 C ATOM 644 O LYS A 47 -1.535 -9.112 -7.133 1.00 0.51 O ATOM 645 CB LYS A 47 -2.238 -10.311 -4.361 1.00 0.51 C ATOM 646 CG LYS A 47 -0.871 -10.679 -3.803 1.00 0.91 C ATOM 647 CD LYS A 47 0.057 -11.195 -4.886 1.00 1.56 C ATOM 648 CE LYS A 47 1.392 -11.623 -4.314 1.00 2.17 C ATOM 649 NZ LYS A 47 2.273 -12.206 -5.359 1.00 2.74 N ATOM 0 H LYS A 47 -3.938 -8.843 -6.269 1.00 0.31 H new ATOM 0 HA LYS A 47 -2.095 -8.190 -4.088 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.984 -10.457 -3.580 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -2.482 -11.002 -5.168 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -0.425 -9.805 -3.327 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -0.986 -11.439 -3.030 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -0.409 -12.039 -5.395 1.00 1.56 H new ATOM 0 HD3 LYS A 47 0.213 -10.418 -5.634 1.00 1.56 H new ATOM 0 HE2 LYS A 47 1.886 -10.764 -3.859 1.00 2.17 H new ATOM 0 HE3 LYS A 47 1.232 -12.355 -3.523 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 3.178 -12.488 -4.932 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 1.812 -13.040 -5.776 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 2.446 -11.499 -6.102 1.00 2.74 H new ATOM 663 N GLN A 48 -0.362 -7.805 -5.723 1.00 0.40 N ATOM 664 CA GLN A 48 0.701 -7.495 -6.670 1.00 0.47 C ATOM 665 C GLN A 48 2.056 -7.768 -6.023 1.00 0.50 C ATOM 666 O GLN A 48 2.162 -7.814 -4.797 1.00 0.78 O ATOM 667 CB GLN A 48 0.620 -6.029 -7.108 1.00 0.52 C ATOM 668 CG GLN A 48 -0.648 -5.682 -7.869 1.00 0.55 C ATOM 669 CD GLN A 48 -0.712 -4.218 -8.255 1.00 0.82 C ATOM 670 OE1 GLN A 48 -0.250 -3.816 -9.324 1.00 1.63 O ATOM 671 NE2 GLN A 48 -1.284 -3.405 -7.385 1.00 1.37 N ATOM 0 H GLN A 48 -0.257 -7.347 -4.818 1.00 0.40 H new ATOM 0 HA GLN A 48 0.583 -8.127 -7.551 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.688 -5.392 -6.226 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.482 -5.799 -7.734 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.707 -6.294 -8.769 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.515 -5.931 -7.257 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -1.655 -3.774 -6.510 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -1.354 -2.408 -7.589 1.00 1.37 H new ATOM 680 N ALA A 49 3.085 -7.951 -6.840 1.00 0.32 N ATOM 681 CA ALA A 49 4.428 -8.200 -6.331 1.00 0.31 C ATOM 682 C ALA A 49 5.468 -8.048 -7.428 1.00 0.31 C ATOM 683 O ALA A 49 5.258 -8.477 -8.565 1.00 0.39 O ATOM 684 CB ALA A 49 4.523 -9.586 -5.713 1.00 0.33 C ATOM 0 H ALA A 49 3.016 -7.932 -7.857 1.00 0.32 H new ATOM 0 HA ALA A 49 4.630 -7.457 -5.560 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.534 -9.750 -5.340 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.815 -9.666 -4.888 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.288 -10.337 -6.467 1.00 0.33 H new ATOM 690 N GLY A 50 6.587 -7.439 -7.079 1.00 0.25 N ATOM 691 CA GLY A 50 7.662 -7.265 -8.027 1.00 0.26 C ATOM 692 C GLY A 50 8.768 -6.409 -7.465 1.00 0.23 C ATOM 693 O GLY A 50 9.120 -6.534 -6.289 1.00 0.25 O ATOM 0 H GLY A 50 6.770 -7.060 -6.150 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.062 -8.240 -8.306 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.274 -6.807 -8.937 1.00 0.26 H new ATOM 697 N ALA A 51 9.307 -5.536 -8.293 1.00 0.23 N ATOM 698 CA ALA A 51 10.382 -4.660 -7.883 1.00 0.21 C ATOM 699 C ALA A 51 10.206 -3.287 -8.508 1.00 0.23 C ATOM 700 O ALA A 51 9.636 -3.158 -9.592 1.00 0.38 O ATOM 701 CB ALA A 51 11.724 -5.256 -8.268 1.00 0.23 C ATOM 0 H ALA A 51 9.013 -5.416 -9.262 1.00 0.23 H new ATOM 0 HA ALA A 51 10.354 -4.552 -6.799 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.524 -4.586 -7.953 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.847 -6.222 -7.779 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.766 -5.389 -9.349 1.00 0.23 H new ATOM 707 N PHE A 52 10.692 -2.270 -7.827 1.00 0.15 N ATOM 708 CA PHE A 52 10.561 -0.902 -8.293 1.00 0.16 C ATOM 709 C PHE A 52 11.706 -0.063 -7.730 1.00 0.14 C ATOM 710 O PHE A 52 12.448 -0.519 -6.851 1.00 0.16 O ATOM 711 CB PHE A 52 9.186 -0.347 -7.888 1.00 0.17 C ATOM 712 CG PHE A 52 8.889 1.043 -8.379 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.801 1.318 -9.734 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.704 2.076 -7.475 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.532 2.600 -10.176 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.436 3.358 -7.911 1.00 0.18 C ATOM 717 CZ PHE A 52 8.350 3.621 -9.264 1.00 0.23 C ATOM 0 H PHE A 52 11.186 -2.365 -6.940 1.00 0.15 H new ATOM 0 HA PHE A 52 10.623 -0.865 -9.381 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.415 -1.020 -8.263 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.115 -0.354 -6.800 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.944 0.524 -10.452 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.770 1.876 -6.416 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.464 2.803 -11.235 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.294 4.154 -7.195 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.141 4.623 -9.608 1.00 0.23 H new ATOM 727 N THR A 53 11.850 1.150 -8.231 1.00 0.15 N ATOM 728 CA THR A 53 12.954 2.013 -7.858 1.00 0.16 C ATOM 729 C THR A 53 12.577 2.904 -6.687 1.00 0.16 C ATOM 730 O THR A 53 11.543 3.575 -6.707 1.00 0.27 O ATOM 731 CB THR A 53 13.395 2.876 -9.044 1.00 0.21 C ATOM 732 OG1 THR A 53 12.439 2.759 -10.109 1.00 0.43 O ATOM 733 CG2 THR A 53 14.772 2.456 -9.534 1.00 0.40 C ATOM 0 H THR A 53 11.207 1.563 -8.906 1.00 0.15 H new ATOM 0 HA THR A 53 13.785 1.374 -7.558 1.00 0.16 H new ATOM 0 HB THR A 53 13.449 3.915 -8.718 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.723 3.313 -10.866 1.00 0.43 H new ATOM 0 HG21 THR A 53 15.065 3.082 -10.377 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.496 2.571 -8.727 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.743 1.413 -9.850 1.00 0.40 H new ATOM 741 N ALA A 54 13.426 2.918 -5.677 1.00 0.13 N ATOM 742 CA ALA A 54 13.136 3.638 -4.456 1.00 0.13 C ATOM 743 C ALA A 54 14.284 4.572 -4.085 1.00 0.14 C ATOM 744 O ALA A 54 15.449 4.188 -4.141 1.00 0.23 O ATOM 745 CB ALA A 54 12.843 2.655 -3.327 1.00 0.15 C ATOM 0 H ALA A 54 14.325 2.436 -5.680 1.00 0.13 H new ATOM 0 HA ALA A 54 12.252 4.254 -4.618 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.626 3.206 -2.412 1.00 0.15 H new ATOM 0 HB2 ALA A 54 11.983 2.041 -3.593 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.711 2.015 -3.168 1.00 0.15 H new ATOM 751 N ILE A 55 13.943 5.803 -3.726 1.00 0.17 N ATOM 752 CA ILE A 55 14.932 6.805 -3.347 1.00 0.18 C ATOM 753 C ILE A 55 15.101 6.850 -1.842 1.00 0.16 C ATOM 754 O ILE A 55 14.147 6.645 -1.096 1.00 0.14 O ATOM 755 CB ILE A 55 14.537 8.191 -3.873 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.624 8.181 -5.392 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.414 9.279 -3.279 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.733 9.035 -5.959 1.00 0.33 C ATOM 0 H ILE A 55 12.979 6.134 -3.689 1.00 0.17 H new ATOM 0 HA ILE A 55 15.883 6.521 -3.798 1.00 0.18 H new ATOM 0 HB ILE A 55 13.514 8.413 -3.570 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.764 7.154 -5.729 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.673 8.523 -5.801 1.00 0.26 H new ATOM 0 HG21 ILE A 55 15.108 10.248 -3.672 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.310 9.278 -2.194 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.455 9.092 -3.544 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.722 8.970 -7.047 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.585 10.072 -5.656 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.693 8.681 -5.584 1.00 0.33 H new ATOM 770 N ALA A 56 16.330 7.106 -1.416 1.00 0.17 N ATOM 771 CA ALA A 56 16.659 7.174 0.001 1.00 0.18 C ATOM 772 C ALA A 56 15.876 8.265 0.710 1.00 0.17 C ATOM 773 O ALA A 56 15.898 9.426 0.299 1.00 0.20 O ATOM 774 CB ALA A 56 18.142 7.388 0.218 1.00 0.22 C ATOM 0 H ALA A 56 17.122 7.271 -2.037 1.00 0.17 H new ATOM 0 HA ALA A 56 16.378 6.212 0.430 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.350 7.434 1.287 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.698 6.561 -0.225 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.447 8.323 -0.251 1.00 0.22 H new ATOM 780 N GLU A 57 15.185 7.865 1.776 1.00 0.16 N ATOM 781 CA GLU A 57 14.377 8.765 2.584 1.00 0.18 C ATOM 782 C GLU A 57 13.237 9.329 1.748 1.00 0.19 C ATOM 783 O GLU A 57 12.700 10.401 2.027 1.00 0.28 O ATOM 784 CB GLU A 57 15.250 9.868 3.166 1.00 0.23 C ATOM 785 CG GLU A 57 16.405 9.331 4.000 1.00 0.27 C ATOM 786 CD GLU A 57 17.443 10.390 4.291 1.00 0.74 C ATOM 787 OE1 GLU A 57 18.315 10.627 3.432 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.400 10.984 5.388 1.00 0.75 O ATOM 0 H GLU A 57 15.173 6.899 2.102 1.00 0.16 H new ATOM 0 HA GLU A 57 13.939 8.216 3.417 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.647 10.477 2.354 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.636 10.523 3.784 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.019 8.936 4.940 1.00 0.27 H new ATOM 0 HG3 GLU A 57 16.875 8.500 3.474 1.00 0.27 H new ATOM 795 N GLN A 58 12.875 8.572 0.725 1.00 0.16 N ATOM 796 CA GLN A 58 11.811 8.930 -0.172 1.00 0.18 C ATOM 797 C GLN A 58 10.690 7.925 -0.065 1.00 0.17 C ATOM 798 O GLN A 58 10.917 6.720 0.059 1.00 0.19 O ATOM 799 CB GLN A 58 12.311 8.997 -1.592 1.00 0.20 C ATOM 800 CG GLN A 58 12.202 10.373 -2.176 1.00 0.28 C ATOM 801 CD GLN A 58 10.774 10.871 -2.312 1.00 0.70 C ATOM 802 OE1 GLN A 58 9.841 10.088 -2.490 1.00 1.38 O ATOM 803 NE2 GLN A 58 10.598 12.180 -2.247 1.00 1.48 N ATOM 0 H GLN A 58 13.323 7.684 0.500 1.00 0.16 H new ATOM 0 HA GLN A 58 11.438 9.915 0.108 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.352 8.675 -1.623 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.743 8.299 -2.207 1.00 0.20 H new ATOM 0 HG2 GLN A 58 12.761 11.068 -1.550 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.674 10.379 -3.159 1.00 0.28 H new ATOM 0 HE21 GLN A 58 11.398 12.795 -2.098 1.00 1.48 H new ATOM 0 HE22 GLN A 58 9.662 12.574 -2.346 1.00 1.48 H new ATOM 812 N ARG A 59 9.493 8.441 -0.074 1.00 0.16 N ATOM 813 CA ARG A 59 8.297 7.625 -0.035 1.00 0.17 C ATOM 814 C ARG A 59 7.981 7.081 -1.422 1.00 0.17 C ATOM 815 O ARG A 59 7.774 7.838 -2.370 1.00 0.22 O ATOM 816 CB ARG A 59 7.115 8.436 0.480 1.00 0.24 C ATOM 817 CG ARG A 59 6.843 8.301 1.971 1.00 0.30 C ATOM 818 CD ARG A 59 8.009 8.742 2.821 1.00 0.44 C ATOM 819 NE ARG A 59 7.709 8.630 4.249 1.00 1.37 N ATOM 820 CZ ARG A 59 8.386 9.262 5.207 1.00 1.72 C ATOM 821 NH1 ARG A 59 9.386 10.078 4.889 1.00 1.51 N ATOM 822 NH2 ARG A 59 8.056 9.083 6.481 1.00 2.72 N ATOM 0 H ARG A 59 9.311 9.444 -0.109 1.00 0.16 H new ATOM 0 HA ARG A 59 8.475 6.790 0.643 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.288 9.488 0.251 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.221 8.134 -0.066 1.00 0.24 H new ATOM 0 HG2 ARG A 59 5.966 8.893 2.231 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.605 7.262 2.200 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.883 8.135 2.584 1.00 0.44 H new ATOM 0 HD3 ARG A 59 8.264 9.775 2.582 1.00 0.44 H new ATOM 0 HE ARG A 59 6.933 8.030 4.529 1.00 1.37 H new ATOM 0 HH11 ARG A 59 9.636 10.221 3.911 1.00 1.51 H new ATOM 0 HH12 ARG A 59 9.903 10.561 5.623 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.285 8.462 6.726 1.00 2.72 H new ATOM 0 HH22 ARG A 59 8.574 9.567 7.215 1.00 2.72 H new ATOM 836 N VAL A 60 7.962 5.769 -1.531 1.00 0.13 N ATOM 837 CA VAL A 60 7.678 5.099 -2.780 1.00 0.14 C ATOM 838 C VAL A 60 6.363 4.359 -2.668 1.00 0.13 C ATOM 839 O VAL A 60 6.268 3.356 -1.974 1.00 0.12 O ATOM 840 CB VAL A 60 8.816 4.111 -3.128 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.443 3.210 -4.296 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.071 4.889 -3.445 1.00 0.15 C ATOM 0 H VAL A 60 8.144 5.136 -0.752 1.00 0.13 H new ATOM 0 HA VAL A 60 7.608 5.840 -3.576 1.00 0.14 H new ATOM 0 HB VAL A 60 8.988 3.467 -2.265 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.268 2.531 -4.510 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.554 2.633 -4.041 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.239 3.820 -5.176 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.876 4.196 -3.691 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.886 5.547 -4.294 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.358 5.486 -2.579 1.00 0.15 H new ATOM 852 N THR A 61 5.346 4.833 -3.355 1.00 0.15 N ATOM 853 CA THR A 61 4.047 4.227 -3.206 1.00 0.15 C ATOM 854 C THR A 61 3.875 3.089 -4.184 1.00 0.16 C ATOM 855 O THR A 61 4.013 3.252 -5.397 1.00 0.19 O ATOM 856 CB THR A 61 2.904 5.232 -3.355 1.00 0.17 C ATOM 857 OG1 THR A 61 3.303 6.519 -2.860 1.00 0.19 O ATOM 858 CG2 THR A 61 1.699 4.732 -2.592 1.00 0.19 C ATOM 0 H THR A 61 5.392 5.617 -4.006 1.00 0.15 H new ATOM 0 HA THR A 61 3.999 3.838 -2.189 1.00 0.15 H new ATOM 0 HB THR A 61 2.650 5.334 -4.410 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.563 7.153 -2.963 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.881 5.445 -2.695 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.390 3.766 -2.992 1.00 0.19 H new ATOM 0 HG23 THR A 61 1.955 4.624 -1.538 1.00 0.19 H new ATOM 866 N VAL A 62 3.561 1.940 -3.632 1.00 0.15 N ATOM 867 CA VAL A 62 3.603 0.706 -4.367 1.00 0.15 C ATOM 868 C VAL A 62 2.251 0.006 -4.392 1.00 0.15 C ATOM 869 O VAL A 62 1.521 0.001 -3.401 1.00 0.16 O ATOM 870 CB VAL A 62 4.699 -0.206 -3.763 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.459 -1.686 -4.037 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.062 0.230 -4.280 1.00 0.16 C ATOM 0 H VAL A 62 3.270 1.839 -2.660 1.00 0.15 H new ATOM 0 HA VAL A 62 3.849 0.929 -5.405 1.00 0.15 H new ATOM 0 HB VAL A 62 4.663 -0.092 -2.680 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.260 -2.274 -3.589 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.504 -1.986 -3.605 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.441 -1.859 -5.113 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.834 -0.411 -3.855 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.081 0.150 -5.367 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.248 1.264 -3.989 1.00 0.16 H new ATOM 882 N GLY A 63 1.923 -0.564 -5.546 1.00 0.18 N ATOM 883 CA GLY A 63 0.680 -1.286 -5.699 1.00 0.21 C ATOM 884 C GLY A 63 -0.479 -0.372 -6.004 1.00 0.20 C ATOM 885 O GLY A 63 -1.285 -0.079 -5.131 1.00 0.28 O ATOM 0 H GLY A 63 2.504 -0.536 -6.384 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.784 -2.017 -6.500 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.471 -1.842 -4.785 1.00 0.21 H new ATOM 889 N ASN A 64 -0.570 0.076 -7.244 1.00 0.33 N ATOM 890 CA ASN A 64 -1.644 0.966 -7.650 1.00 0.40 C ATOM 891 C ASN A 64 -2.899 0.172 -7.969 1.00 0.37 C ATOM 892 O ASN A 64 -2.986 -0.506 -8.993 1.00 0.52 O ATOM 893 CB ASN A 64 -1.219 1.826 -8.856 1.00 0.67 C ATOM 894 CG ASN A 64 -0.707 1.019 -10.044 1.00 1.31 C ATOM 895 OD1 ASN A 64 -0.126 -0.057 -9.888 1.00 2.17 O ATOM 896 ND2 ASN A 64 -0.911 1.537 -11.242 1.00 1.98 N ATOM 0 H ASN A 64 0.087 -0.162 -7.987 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.864 1.638 -6.820 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -2.069 2.427 -9.178 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.440 2.519 -8.538 1.00 0.67 H new ATOM 0 HD21 ASN A 64 -0.584 1.044 -12.073 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -1.395 2.430 -11.336 1.00 1.98 H new ATOM 903 N VAL A 65 -3.871 0.253 -7.075 1.00 0.25 N ATOM 904 CA VAL A 65 -5.171 -0.356 -7.304 1.00 0.33 C ATOM 905 C VAL A 65 -6.259 0.675 -7.042 1.00 0.27 C ATOM 906 O VAL A 65 -6.140 1.491 -6.132 1.00 0.35 O ATOM 907 CB VAL A 65 -5.400 -1.608 -6.418 1.00 0.43 C ATOM 908 CG1 VAL A 65 -4.215 -2.556 -6.513 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.665 -1.233 -4.969 1.00 1.10 C ATOM 0 H VAL A 65 -3.784 0.736 -6.181 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.207 -0.689 -8.341 1.00 0.33 H new ATOM 0 HB VAL A 65 -6.288 -2.116 -6.795 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.395 -3.428 -5.884 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -4.086 -2.875 -7.547 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.313 -2.046 -6.176 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -5.820 -2.138 -4.382 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -4.810 -0.685 -4.573 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.555 -0.606 -4.912 1.00 1.10 H new ATOM 919 N VAL A 66 -7.296 0.673 -7.857 1.00 0.25 N ATOM 920 CA VAL A 66 -8.358 1.648 -7.704 1.00 0.23 C ATOM 921 C VAL A 66 -9.685 0.971 -7.407 1.00 0.24 C ATOM 922 O VAL A 66 -10.193 0.179 -8.201 1.00 0.27 O ATOM 923 CB VAL A 66 -8.492 2.550 -8.945 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.590 3.581 -8.740 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.168 3.237 -9.238 1.00 0.29 C ATOM 0 H VAL A 66 -7.426 0.014 -8.625 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.088 2.278 -6.857 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.761 1.928 -9.799 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.670 4.209 -9.627 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.539 3.073 -8.569 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.350 4.202 -7.877 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.274 3.872 -10.117 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.878 3.847 -8.383 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.401 2.485 -9.424 1.00 0.29 H new ATOM 935 N LEU A 67 -10.232 1.292 -6.252 1.00 0.22 N ATOM 936 CA LEU A 67 -11.498 0.744 -5.804 1.00 0.23 C ATOM 937 C LEU A 67 -12.572 1.809 -5.961 1.00 0.24 C ATOM 938 O LEU A 67 -12.256 2.998 -6.025 1.00 0.26 O ATOM 939 CB LEU A 67 -11.429 0.346 -4.325 1.00 0.21 C ATOM 940 CG LEU A 67 -10.238 -0.509 -3.860 1.00 0.19 C ATOM 941 CD1 LEU A 67 -10.029 -1.707 -4.772 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.961 0.315 -3.744 1.00 0.18 C ATOM 0 H LEU A 67 -9.808 1.945 -5.593 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.726 -0.139 -6.400 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.434 1.261 -3.733 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.343 -0.196 -4.082 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.480 -0.881 -2.864 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.180 -2.291 -4.417 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.924 -2.328 -4.767 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.832 -1.362 -5.787 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.144 -0.326 -3.413 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.715 0.744 -4.715 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.110 1.117 -3.020 1.00 0.18 H new ATOM 954 N ASP A 68 -13.833 1.408 -6.029 1.00 0.26 N ATOM 955 CA ASP A 68 -14.909 2.386 -5.987 1.00 0.28 C ATOM 956 C ASP A 68 -15.031 2.893 -4.558 1.00 0.28 C ATOM 957 O ASP A 68 -15.072 2.106 -3.607 1.00 0.30 O ATOM 958 CB ASP A 68 -16.242 1.820 -6.504 1.00 0.32 C ATOM 959 CG ASP A 68 -16.912 0.829 -5.571 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.615 -0.379 -5.674 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.776 1.244 -4.770 1.00 1.25 O ATOM 0 H ASP A 68 -14.132 0.436 -6.112 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.667 3.211 -6.657 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.927 2.648 -6.686 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.067 1.334 -7.464 1.00 0.32 H new ATOM 966 N TYR A 69 -15.037 4.203 -4.407 1.00 0.28 N ATOM 967 CA TYR A 69 -14.938 4.818 -3.095 1.00 0.27 C ATOM 968 C TYR A 69 -16.210 4.651 -2.283 1.00 0.27 C ATOM 969 O TYR A 69 -17.306 4.978 -2.734 1.00 0.30 O ATOM 970 CB TYR A 69 -14.592 6.300 -3.219 1.00 0.29 C ATOM 971 CG TYR A 69 -14.865 7.081 -1.959 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.225 6.758 -0.770 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.767 8.135 -1.959 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.485 7.468 0.392 1.00 0.27 C ATOM 975 CE2 TYR A 69 -16.029 8.847 -0.808 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.390 8.508 0.362 1.00 0.30 C ATOM 977 OH TYR A 69 -15.665 9.201 1.510 1.00 0.33 O ATOM 0 H TYR A 69 -15.110 4.865 -5.179 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.137 4.303 -2.565 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.538 6.400 -3.480 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.165 6.733 -4.039 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.516 5.944 -0.750 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.272 8.402 -2.875 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.983 7.209 1.313 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.732 9.667 -0.825 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.221 9.979 1.297 1.00 0.33 H new ATOM 987 N SER A 70 -16.047 4.103 -1.091 1.00 0.25 N ATOM 988 CA SER A 70 -17.098 4.105 -0.094 1.00 0.27 C ATOM 989 C SER A 70 -16.469 4.293 1.278 1.00 0.29 C ATOM 990 O SER A 70 -15.632 3.493 1.699 1.00 0.28 O ATOM 991 CB SER A 70 -17.914 2.816 -0.168 1.00 0.30 C ATOM 992 OG SER A 70 -17.286 1.871 -1.022 1.00 0.99 O ATOM 0 H SER A 70 -15.186 3.647 -0.790 1.00 0.25 H new ATOM 0 HA SER A 70 -17.788 4.928 -0.283 1.00 0.27 H new ATOM 0 HB2 SER A 70 -18.026 2.393 0.830 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.917 3.035 -0.535 1.00 0.30 H new ATOM 0 HG SER A 70 -17.823 1.052 -1.055 1.00 0.99 H new ATOM 998 N SER A 71 -16.849 5.368 1.954 1.00 0.36 N ATOM 999 CA SER A 71 -16.274 5.704 3.250 1.00 0.42 C ATOM 1000 C SER A 71 -16.565 4.619 4.279 1.00 0.43 C ATOM 1001 O SER A 71 -15.815 4.434 5.237 1.00 0.50 O ATOM 1002 CB SER A 71 -16.813 7.044 3.727 1.00 0.50 C ATOM 1003 OG SER A 71 -18.232 7.048 3.757 1.00 0.54 O ATOM 0 H SER A 71 -17.556 6.025 1.625 1.00 0.36 H new ATOM 0 HA SER A 71 -15.192 5.775 3.135 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.425 7.261 4.722 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.459 7.836 3.068 1.00 0.50 H new ATOM 0 HG SER A 71 -18.550 7.921 4.069 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.650 3.895 4.058 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.059 2.834 4.956 1.00 0.43 C ATOM 1011 C ALA A 72 -17.517 1.479 4.513 1.00 0.40 C ATOM 1012 O ALA A 72 -17.724 0.476 5.192 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.572 2.786 5.039 1.00 0.47 C ATOM 0 H ALA A 72 -18.267 4.027 3.256 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.644 3.050 5.941 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -19.874 1.986 5.715 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -19.946 3.739 5.413 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -19.985 2.598 4.048 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.817 1.440 3.386 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.353 0.171 2.847 1.00 0.30 C ATOM 1021 C ASN A 73 -15.056 -0.263 3.505 1.00 0.33 C ATOM 1022 O ASN A 73 -14.291 0.562 4.013 1.00 0.47 O ATOM 1023 CB ASN A 73 -16.173 0.238 1.337 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.945 -0.874 0.647 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -17.949 -1.354 1.170 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.503 -1.282 -0.533 1.00 0.95 N ATOM 0 H ASN A 73 -16.562 2.260 2.836 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.121 -0.570 3.068 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.515 1.205 0.969 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -15.114 0.159 1.089 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -16.999 -2.017 -1.037 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -15.666 -0.861 -0.937 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.815 -1.565 3.496 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.632 -2.126 4.115 1.00 0.35 C ATOM 1035 C ARG A 74 -12.545 -2.313 3.070 1.00 0.27 C ATOM 1036 O ARG A 74 -12.645 -3.176 2.200 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.979 -3.466 4.762 1.00 0.48 C ATOM 1038 CG ARG A 74 -15.160 -3.389 5.718 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.894 -2.450 6.886 1.00 1.02 C ATOM 1040 NE ARG A 74 -16.126 -2.121 7.603 1.00 1.49 N ATOM 1041 CZ ARG A 74 -16.197 -1.268 8.626 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -15.095 -0.728 9.135 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -17.376 -0.976 9.156 1.00 2.50 N ATOM 0 H ARG A 74 -15.430 -2.254 3.063 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.267 -1.445 4.884 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.201 -4.192 3.980 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -13.108 -3.836 5.302 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -16.043 -3.050 5.176 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -15.383 -4.386 6.099 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -14.185 -2.914 7.572 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -14.430 -1.534 6.519 1.00 1.02 H new ATOM 0 HE ARG A 74 -16.988 -2.574 7.300 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -14.183 -0.965 8.743 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -15.161 -0.077 9.917 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -18.223 -1.403 8.782 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -17.436 -0.324 9.938 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.521 -1.493 3.151 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.370 -1.622 2.282 1.00 0.14 C ATOM 1059 C TYR A 75 -9.120 -1.679 3.119 1.00 0.13 C ATOM 1060 O TYR A 75 -8.849 -0.777 3.905 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.279 -0.462 1.299 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.433 -0.389 0.341 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.731 -1.468 -0.465 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.219 0.750 0.241 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.783 -1.424 -1.348 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.277 0.805 -0.643 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.556 -0.286 -1.437 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.612 -0.245 -2.316 1.00 0.35 O ATOM 0 H TYR A 75 -11.461 -0.722 3.816 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.478 -2.540 1.705 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.223 0.472 1.858 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.353 -0.550 0.732 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.128 -2.362 -0.401 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -12.000 1.605 0.863 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -13.004 -2.279 -1.971 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.882 1.697 -0.712 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.663 0.644 -2.724 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.385 -2.750 2.969 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.148 -2.929 3.694 1.00 0.13 C ATOM 1080 C ALA A 76 -6.037 -3.281 2.743 1.00 0.12 C ATOM 1081 O ALA A 76 -6.275 -3.588 1.583 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.273 -3.997 4.757 1.00 0.16 C ATOM 0 H ALA A 76 -8.623 -3.521 2.345 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.917 -1.987 4.191 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.323 -4.102 5.280 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.049 -3.714 5.468 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.537 -4.946 4.290 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.827 -3.230 3.236 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.672 -3.487 2.419 1.00 0.13 C ATOM 1090 C ALA A 77 -2.601 -4.148 3.245 1.00 0.14 C ATOM 1091 O ALA A 77 -2.668 -4.143 4.467 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.163 -2.196 1.812 1.00 0.12 C ATOM 0 H ALA A 77 -4.616 -3.010 4.209 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.949 -4.159 1.606 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.288 -2.404 1.196 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.944 -1.751 1.195 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.890 -1.503 2.608 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.645 -4.737 2.574 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.504 -5.334 3.220 1.00 0.16 C ATOM 1100 C ARG A 78 0.677 -5.320 2.275 1.00 0.14 C ATOM 1101 O ARG A 78 0.597 -5.840 1.161 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.805 -6.749 3.659 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.181 -7.672 2.553 1.00 0.56 C ATOM 1104 CD ARG A 78 -1.243 -9.047 3.125 1.00 1.56 C ATOM 1105 NE ARG A 78 0.048 -9.730 3.066 1.00 2.06 N ATOM 1106 CZ ARG A 78 0.213 -10.984 2.651 1.00 2.77 C ATOM 1107 NH1 ARG A 78 -0.829 -11.696 2.238 1.00 3.25 N ATOM 1108 NH2 ARG A 78 1.426 -11.526 2.653 1.00 3.35 N ATOM 0 H ARG A 78 -1.636 -4.817 1.557 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.265 -4.752 4.110 1.00 0.16 H new ATOM 0 HB2 ARG A 78 0.070 -7.151 4.169 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.616 -6.725 4.387 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -2.144 -7.389 2.127 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -0.449 -7.624 1.747 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -1.576 -8.992 4.161 1.00 1.56 H new ATOM 0 HD3 ARG A 78 -1.986 -9.631 2.582 1.00 1.56 H new ATOM 0 HE ARG A 78 0.876 -9.212 3.362 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -1.761 -11.282 2.238 1.00 3.25 H new ATOM 0 HH12 ARG A 78 -0.697 -12.656 1.921 1.00 3.25 H new ATOM 0 HH21 ARG A 78 2.227 -10.981 2.972 1.00 3.35 H new ATOM 0 HH22 ARG A 78 1.556 -12.487 2.336 1.00 3.35 H new ATOM 1122 N LEU A 79 1.760 -4.705 2.685 1.00 0.17 N ATOM 1123 CA LEU A 79 2.928 -4.674 1.842 1.00 0.15 C ATOM 1124 C LEU A 79 4.087 -5.354 2.530 1.00 0.15 C ATOM 1125 O LEU A 79 4.484 -4.980 3.630 1.00 0.22 O ATOM 1126 CB LEU A 79 3.308 -3.249 1.449 1.00 0.16 C ATOM 1127 CG LEU A 79 3.896 -3.116 0.039 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.161 -1.664 -0.295 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.162 -3.956 -0.116 1.00 0.16 C ATOM 0 H LEU A 79 1.856 -4.227 3.581 1.00 0.17 H new ATOM 0 HA LEU A 79 2.687 -5.214 0.926 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.423 -2.617 1.521 1.00 0.16 H new ATOM 0 HB3 LEU A 79 4.032 -2.867 2.169 1.00 0.16 H new ATOM 0 HG LEU A 79 3.161 -3.498 -0.669 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.578 -1.592 -1.300 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.227 -1.104 -0.249 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.869 -1.249 0.422 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.554 -3.840 -1.126 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.910 -3.623 0.604 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.927 -5.005 0.064 1.00 0.16 H new ATOM 1141 N ASP A 80 4.608 -6.360 1.869 1.00 0.12 N ATOM 1142 CA ASP A 80 5.778 -7.061 2.332 1.00 0.12 C ATOM 1143 C ASP A 80 6.980 -6.601 1.527 1.00 0.11 C ATOM 1144 O ASP A 80 6.992 -6.697 0.308 1.00 0.15 O ATOM 1145 CB ASP A 80 5.560 -8.565 2.190 1.00 0.15 C ATOM 1146 CG ASP A 80 6.732 -9.399 2.672 1.00 1.16 C ATOM 1147 OD1 ASP A 80 7.686 -9.583 1.892 1.00 2.22 O ATOM 1148 OD2 ASP A 80 6.727 -9.838 3.844 1.00 1.06 O ATOM 0 H ASP A 80 4.229 -6.716 0.991 1.00 0.12 H new ATOM 0 HA ASP A 80 5.960 -6.843 3.384 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.669 -8.849 2.750 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.366 -8.798 1.143 1.00 0.15 H new ATOM 1153 N VAL A 81 7.964 -6.039 2.186 1.00 0.09 N ATOM 1154 CA VAL A 81 9.166 -5.641 1.488 1.00 0.10 C ATOM 1155 C VAL A 81 10.280 -6.600 1.847 1.00 0.12 C ATOM 1156 O VAL A 81 10.812 -6.563 2.951 1.00 0.13 O ATOM 1157 CB VAL A 81 9.598 -4.202 1.821 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.656 -3.736 0.842 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.409 -3.254 1.820 1.00 0.09 C ATOM 0 H VAL A 81 7.960 -5.848 3.188 1.00 0.09 H new ATOM 0 HA VAL A 81 8.954 -5.671 0.419 1.00 0.10 H new ATOM 0 HB VAL A 81 10.022 -4.197 2.825 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.954 -2.717 1.087 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.524 -4.393 0.904 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.252 -3.763 -0.170 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.747 -2.246 2.059 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.942 -3.257 0.835 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.684 -3.579 2.566 1.00 0.09 H new ATOM 1169 N SER A 82 10.618 -7.454 0.908 1.00 0.14 N ATOM 1170 CA SER A 82 11.633 -8.463 1.108 1.00 0.17 C ATOM 1171 C SER A 82 12.670 -8.383 -0.004 1.00 0.20 C ATOM 1172 O SER A 82 12.438 -8.837 -1.125 1.00 0.25 O ATOM 1173 CB SER A 82 10.975 -9.840 1.147 1.00 0.21 C ATOM 1174 OG SER A 82 9.835 -9.886 0.301 1.00 0.82 O ATOM 0 H SER A 82 10.195 -7.468 -0.020 1.00 0.14 H new ATOM 0 HA SER A 82 12.142 -8.293 2.057 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.693 -10.599 0.836 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.683 -10.078 2.170 1.00 0.21 H new ATOM 0 HG SER A 82 9.041 -10.101 0.834 1.00 0.82 H new ATOM 1180 N PHE A 83 13.813 -7.803 0.316 1.00 0.21 N ATOM 1181 CA PHE A 83 14.854 -7.564 -0.665 1.00 0.24 C ATOM 1182 C PHE A 83 16.228 -7.642 -0.012 1.00 0.24 C ATOM 1183 O PHE A 83 16.696 -6.678 0.596 1.00 0.23 O ATOM 1184 CB PHE A 83 14.639 -6.194 -1.329 1.00 0.26 C ATOM 1185 CG PHE A 83 15.775 -5.746 -2.206 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.127 -6.463 -3.336 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.494 -4.605 -1.892 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.173 -6.051 -4.138 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.544 -4.187 -2.687 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.883 -4.911 -3.812 1.00 0.34 C ATOM 0 H PHE A 83 14.044 -7.486 1.258 1.00 0.21 H new ATOM 0 HA PHE A 83 14.803 -8.335 -1.434 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.728 -6.232 -1.926 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.480 -5.447 -0.551 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.577 -7.356 -3.594 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.231 -4.034 -1.014 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.436 -6.619 -5.018 1.00 0.34 H new ATOM 0 HE2 PHE A 83 18.098 -3.296 -2.429 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.702 -4.587 -4.437 1.00 0.34 H new ATOM 1200 N GLY A 84 16.851 -8.805 -0.113 1.00 0.30 N ATOM 1201 CA GLY A 84 18.184 -8.983 0.422 1.00 0.34 C ATOM 1202 C GLY A 84 18.224 -8.903 1.933 1.00 0.34 C ATOM 1203 O GLY A 84 17.815 -9.836 2.624 1.00 0.41 O ATOM 0 H GLY A 84 16.455 -9.633 -0.558 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.572 -9.950 0.103 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.843 -8.222 0.005 1.00 0.34 H new ATOM 1207 N SER A 85 18.706 -7.781 2.447 1.00 0.32 N ATOM 1208 CA SER A 85 18.871 -7.606 3.878 1.00 0.36 C ATOM 1209 C SER A 85 17.609 -7.056 4.540 1.00 0.31 C ATOM 1210 O SER A 85 17.469 -7.100 5.764 1.00 0.35 O ATOM 1211 CB SER A 85 20.052 -6.690 4.138 1.00 0.43 C ATOM 1212 OG SER A 85 19.990 -5.524 3.330 1.00 0.42 O ATOM 0 H SER A 85 18.990 -6.976 1.889 1.00 0.32 H new ATOM 0 HA SER A 85 19.058 -8.584 4.321 1.00 0.36 H new ATOM 0 HB2 SER A 85 20.069 -6.405 5.190 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.980 -7.225 3.937 1.00 0.43 H new ATOM 0 HG SER A 85 20.763 -4.952 3.521 1.00 0.42 H new ATOM 1218 N VAL A 86 16.680 -6.559 3.734 1.00 0.24 N ATOM 1219 CA VAL A 86 15.441 -6.010 4.267 1.00 0.20 C ATOM 1220 C VAL A 86 14.280 -6.987 4.095 1.00 0.17 C ATOM 1221 O VAL A 86 14.140 -7.630 3.053 1.00 0.18 O ATOM 1222 CB VAL A 86 15.068 -4.655 3.609 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.700 -4.823 2.141 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.933 -3.998 4.375 1.00 0.19 C ATOM 0 H VAL A 86 16.759 -6.525 2.718 1.00 0.24 H new ATOM 0 HA VAL A 86 15.617 -5.841 5.329 1.00 0.20 H new ATOM 0 HB VAL A 86 15.945 -4.009 3.651 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.445 -3.852 1.716 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.547 -5.245 1.600 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.844 -5.493 2.055 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.679 -3.048 3.905 1.00 0.19 H new ATOM 0 HG22 VAL A 86 13.061 -4.652 4.366 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.243 -3.822 5.405 1.00 0.19 H new ATOM 1234 N THR A 87 13.477 -7.128 5.140 1.00 0.17 N ATOM 1235 CA THR A 87 12.217 -7.851 5.052 1.00 0.17 C ATOM 1236 C THR A 87 11.254 -7.327 6.111 1.00 0.15 C ATOM 1237 O THR A 87 11.511 -7.442 7.311 1.00 0.18 O ATOM 1238 CB THR A 87 12.406 -9.367 5.233 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.417 -9.854 4.338 1.00 0.25 O ATOM 1240 CG2 THR A 87 11.101 -10.088 4.962 1.00 0.23 C ATOM 0 H THR A 87 13.678 -6.748 6.065 1.00 0.17 H new ATOM 0 HA THR A 87 11.809 -7.685 4.055 1.00 0.17 H new ATOM 0 HB THR A 87 12.718 -9.557 6.260 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.491 -9.251 3.569 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.244 -11.161 5.092 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.340 -9.736 5.658 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.779 -9.886 3.940 1.00 0.23 H new ATOM 1248 N ILE A 88 10.145 -6.765 5.655 1.00 0.12 N ATOM 1249 CA ILE A 88 9.193 -6.074 6.522 1.00 0.11 C ATOM 1250 C ILE A 88 7.791 -6.202 5.958 1.00 0.10 C ATOM 1251 O ILE A 88 7.620 -6.616 4.814 1.00 0.11 O ATOM 1252 CB ILE A 88 9.501 -4.581 6.649 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.224 -3.898 5.325 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.936 -4.353 7.088 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.569 -2.436 5.323 1.00 0.09 C ATOM 0 H ILE A 88 9.876 -6.773 4.671 1.00 0.12 H new ATOM 0 HA ILE A 88 9.273 -6.540 7.504 1.00 0.11 H new ATOM 0 HB ILE A 88 8.857 -4.150 7.415 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.792 -4.399 4.541 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.169 -4.015 5.078 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.126 -3.283 7.170 1.00 0.14 H new ATOM 0 HG22 ILE A 88 11.100 -4.826 8.057 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.614 -4.787 6.353 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.346 -2.011 4.345 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.982 -1.923 6.084 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.630 -2.312 5.539 1.00 0.09 H new ATOM 1267 N GLN A 89 6.797 -5.850 6.751 1.00 0.11 N ATOM 1268 CA GLN A 89 5.426 -5.854 6.277 1.00 0.14 C ATOM 1269 C GLN A 89 4.586 -4.809 7.018 1.00 0.14 C ATOM 1270 O GLN A 89 4.920 -4.400 8.132 1.00 0.20 O ATOM 1271 CB GLN A 89 4.814 -7.249 6.432 1.00 0.22 C ATOM 1272 CG GLN A 89 4.867 -7.788 7.854 1.00 0.68 C ATOM 1273 CD GLN A 89 4.320 -9.198 7.965 1.00 1.04 C ATOM 1274 OE1 GLN A 89 5.054 -10.177 7.831 1.00 1.53 O ATOM 1275 NE2 GLN A 89 3.026 -9.312 8.208 1.00 1.88 N ATOM 0 H GLN A 89 6.912 -5.559 7.722 1.00 0.11 H new ATOM 0 HA GLN A 89 5.429 -5.592 5.219 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.775 -7.218 6.103 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.337 -7.941 5.771 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.899 -7.774 8.205 1.00 0.68 H new ATOM 0 HG3 GLN A 89 4.298 -7.129 8.510 1.00 0.68 H new ATOM 0 HE21 GLN A 89 2.451 -8.476 8.313 1.00 1.88 H new ATOM 0 HE22 GLN A 89 2.602 -10.236 8.291 1.00 1.88 H new ATOM 1284 N CYS A 90 3.512 -4.371 6.377 1.00 0.20 N ATOM 1285 CA CYS A 90 2.587 -3.396 6.951 1.00 0.21 C ATOM 1286 C CYS A 90 1.177 -3.671 6.454 1.00 0.23 C ATOM 1287 O CYS A 90 1.005 -4.363 5.456 1.00 0.31 O ATOM 1288 CB CYS A 90 3.008 -1.976 6.574 1.00 0.22 C ATOM 1289 SG CYS A 90 3.785 -1.857 4.933 1.00 0.97 S ATOM 0 H CYS A 90 3.254 -4.681 5.440 1.00 0.20 H new ATOM 0 HA CYS A 90 2.609 -3.487 8.037 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.132 -1.328 6.600 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.704 -1.601 7.324 1.00 0.22 H new ATOM 1294 N ASN A 91 0.176 -3.121 7.129 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.217 -3.400 6.776 1.00 0.18 C ATOM 1296 C ASN A 91 -2.093 -2.158 6.945 1.00 0.16 C ATOM 1297 O ASN A 91 -1.988 -1.438 7.938 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.765 -4.562 7.616 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.931 -4.217 9.086 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -3.005 -3.793 9.520 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -0.877 -4.401 9.862 1.00 1.82 N ATOM 0 H ASN A 91 0.296 -2.485 7.917 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.242 -3.687 5.725 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.729 -4.870 7.211 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.093 -5.416 7.524 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -0.934 -4.190 10.858 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -0.006 -4.754 9.464 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.943 -1.904 5.951 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.805 -0.722 5.952 1.00 0.13 C ATOM 1310 C LEU A 92 -4.973 -0.881 6.920 1.00 0.14 C ATOM 1311 O LEU A 92 -5.576 -1.950 7.013 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.345 -0.409 4.547 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.645 0.403 4.519 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.427 1.827 5.015 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.225 0.440 3.130 1.00 0.12 C ATOM 0 H LEU A 92 -3.054 -2.502 5.132 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.184 0.111 6.281 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.581 0.137 3.994 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.510 -1.349 4.020 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.346 -0.094 5.189 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.370 2.373 4.981 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -5.059 1.803 6.041 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.696 2.326 4.379 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.147 1.022 3.136 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.509 0.901 2.449 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.439 -0.576 2.798 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.274 0.193 7.636 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.460 0.263 8.477 1.00 0.19 C ATOM 1329 C ASP A 93 -7.641 0.760 7.651 1.00 0.17 C ATOM 1330 O ASP A 93 -7.660 1.917 7.247 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.214 1.228 9.631 1.00 0.26 C ATOM 1332 CG ASP A 93 -7.263 1.113 10.712 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -8.362 1.677 10.535 1.00 2.13 O ATOM 1334 OD2 ASP A 93 -6.995 0.465 11.741 1.00 1.02 O ATOM 0 H ASP A 93 -4.704 1.039 7.650 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.679 -0.729 8.872 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.231 1.034 10.060 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -6.199 2.249 9.250 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.642 -0.090 7.374 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.772 0.283 6.509 1.00 0.19 C ATOM 1341 C PRO A 94 -10.556 1.496 7.010 1.00 0.23 C ATOM 1342 O PRO A 94 -11.317 2.108 6.257 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.674 -0.951 6.524 1.00 0.24 C ATOM 1344 CG PRO A 94 -9.796 -2.074 6.940 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.747 -1.482 7.843 1.00 0.21 C ATOM 0 HA PRO A 94 -9.414 0.569 5.520 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.504 -0.823 7.219 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -11.107 -1.134 5.540 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.368 -2.842 7.461 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -9.338 -2.551 6.073 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -9.043 -1.532 8.891 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -7.797 -2.009 7.755 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.378 1.852 8.274 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.061 2.995 8.829 1.00 0.34 C ATOM 1355 C GLU A 95 -10.333 4.288 8.481 1.00 0.32 C ATOM 1356 O GLU A 95 -10.767 5.373 8.855 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.198 2.845 10.329 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.587 2.472 10.782 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.754 2.542 12.286 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -12.391 1.568 12.976 1.00 1.42 O ATOM 1361 OE2 GLU A 95 -13.262 3.570 12.785 1.00 1.21 O ATOM 0 H GLU A 95 -9.766 1.363 8.927 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.058 3.045 8.391 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.498 2.084 10.674 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -10.911 3.782 10.806 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.309 3.138 10.310 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -12.816 1.462 10.443 1.00 0.69 H new ATOM 1368 N THR A 96 -9.237 4.171 7.749 1.00 0.23 N ATOM 1369 CA THR A 96 -8.488 5.337 7.331 1.00 0.24 C ATOM 1370 C THR A 96 -8.849 5.740 5.905 1.00 0.23 C ATOM 1371 O THR A 96 -8.496 6.825 5.443 1.00 0.30 O ATOM 1372 CB THR A 96 -6.985 5.095 7.431 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.580 4.115 6.480 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.612 4.638 8.830 1.00 0.31 C ATOM 0 H THR A 96 -8.850 3.281 7.434 1.00 0.23 H new ATOM 0 HA THR A 96 -8.756 6.150 8.006 1.00 0.24 H new ATOM 0 HB THR A 96 -6.471 6.032 7.218 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.130 3.311 6.585 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.536 4.470 8.883 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.896 5.405 9.551 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.136 3.711 9.062 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.560 4.847 5.218 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.168 5.152 3.913 1.00 0.23 C ATOM 1384 C VAL A 97 -11.028 6.422 3.983 1.00 0.29 C ATOM 1385 O VAL A 97 -11.429 6.977 2.963 1.00 0.64 O ATOM 1386 CB VAL A 97 -11.043 3.973 3.417 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.771 4.320 2.118 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.198 2.720 3.232 1.00 0.51 C ATOM 0 H VAL A 97 -9.733 3.896 5.543 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.351 5.314 3.210 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.797 3.780 4.180 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.374 3.470 1.801 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.417 5.182 2.282 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -11.041 4.556 1.344 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.830 1.903 2.883 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.417 2.913 2.497 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.742 2.445 4.183 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.281 6.899 5.196 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.111 8.070 5.408 1.00 0.38 C ATOM 1400 C LYS A 98 -11.377 9.354 5.034 1.00 0.40 C ATOM 1401 O LYS A 98 -11.336 10.306 5.816 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.593 8.156 6.853 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.849 7.349 7.153 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.539 5.942 7.632 1.00 0.53 C ATOM 1405 CE LYS A 98 -13.079 5.039 6.510 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.619 3.659 6.644 1.00 2.40 N ATOM 0 H LYS A 98 -10.917 6.485 6.054 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.977 7.963 4.755 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -11.793 7.815 7.510 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -12.782 9.201 7.097 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.436 7.866 7.912 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.465 7.296 6.255 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -12.767 5.985 8.400 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -14.428 5.515 8.097 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -13.394 5.460 5.555 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.990 5.002 6.499 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -12.906 2.974 6.321 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.852 3.473 7.640 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.477 3.564 6.064 1.00 2.40 H new ATOM 1420 N LEU A 99 -10.780 9.353 3.847 1.00 0.47 N ATOM 1421 CA LEU A 99 -10.236 10.556 3.244 1.00 0.58 C ATOM 1422 C LEU A 99 -9.087 11.143 4.054 1.00 0.73 C ATOM 1423 O LEU A 99 -8.914 12.361 4.124 1.00 1.33 O ATOM 1424 CB LEU A 99 -11.363 11.538 3.060 1.00 0.53 C ATOM 1425 CG LEU A 99 -12.425 10.991 2.126 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -13.788 11.079 2.754 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -12.374 11.706 0.801 1.00 0.76 C ATOM 0 H LEU A 99 -10.661 8.515 3.278 1.00 0.47 H new ATOM 0 HA LEU A 99 -9.802 10.311 2.274 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -11.810 11.767 4.027 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -10.971 12.473 2.660 1.00 0.53 H new ATOM 0 HG LEU A 99 -12.221 9.936 1.944 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -14.533 10.681 2.065 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -13.801 10.500 3.677 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -14.020 12.121 2.976 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -13.142 11.303 0.140 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -12.550 12.771 0.955 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -11.393 11.562 0.348 1.00 0.76 H new ATOM 1439 N GLU A 100 -8.303 10.264 4.662 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.123 10.677 5.404 1.00 1.25 C ATOM 1441 C GLU A 100 -5.957 10.893 4.448 1.00 2.09 C ATOM 1442 O GLU A 100 -5.465 9.948 3.830 1.00 2.87 O ATOM 1443 CB GLU A 100 -6.763 9.628 6.454 1.00 2.15 C ATOM 1444 CG GLU A 100 -7.798 9.502 7.560 1.00 2.70 C ATOM 1445 CD GLU A 100 -7.793 10.687 8.503 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -8.493 11.681 8.215 1.00 4.09 O ATOM 1447 OE2 GLU A 100 -7.095 10.633 9.539 1.00 4.13 O ATOM 0 H GLU A 100 -8.465 9.257 4.655 1.00 1.05 H new ATOM 0 HA GLU A 100 -7.338 11.616 5.914 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -6.645 8.661 5.965 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -5.799 9.882 6.895 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -8.788 9.401 7.116 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -7.609 8.591 8.127 1.00 2.70 H new ATOM 1454 N HIS A 101 -5.534 12.139 4.310 1.00 2.68 N ATOM 1455 CA HIS A 101 -4.466 12.483 3.382 1.00 3.89 C ATOM 1456 C HIS A 101 -3.672 13.663 3.923 1.00 4.59 C ATOM 1457 O HIS A 101 -2.686 13.438 4.652 1.00 5.06 O ATOM 1458 CB HIS A 101 -5.053 12.819 2.004 1.00 4.61 C ATOM 1459 CG HIS A 101 -4.031 12.938 0.912 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -3.712 11.895 0.070 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -3.272 13.986 0.511 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -2.803 12.295 -0.798 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -2.520 13.558 -0.554 1.00 6.64 N ATOM 0 H HIS A 101 -5.914 12.931 4.829 1.00 2.68 H new ATOM 0 HA HIS A 101 -3.797 11.629 3.275 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -5.773 12.047 1.730 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -5.603 13.757 2.075 1.00 4.61 H new ATOM 0 HD2 HIS A 101 -3.261 14.974 0.948 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -2.365 11.689 -1.577 1.00 6.69 H new ATOM 0 HE2 HIS A 101 -1.850 14.126 -1.073 1.00 6.64 H new TER 1472 HIS A 101