USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 681 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 47 THR OG1 : rot 180:sc= -0.0416 USER MOD Set 1.2: A 85 GLN : amide:sc= 0.435 X(o=0.39,f=-0.058) USER MOD Set 2.1: A 54 MET CE :methyl -156:sc= -1.09 (180deg=-3.6!) USER MOD Set 2.2: A 74 CYS SG : rot 93:sc= 0.0731 USER MOD Set 2.3: A 77 MET CE :methyl 157:sc= -2.15 (180deg=-5.43!) USER MOD Set 3.1: A 64 MET CE :methyl -141:sc= -0.965 (180deg=-3.76!) USER MOD Set 3.2: A 65 GLN : amide:sc= -2.7! C(o=-3.7!,f=-5.4!) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0.00682 USER MOD Set 4.2: A 27 SER OG : rot 180:sc= 0.0101 USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= 1.08 USER MOD Set 5.2: A 12 SER OG : rot 62:sc= 1.18 USER MOD Set 5.3: A 38 HIS : no HD1:sc= -0.631 X(o=1.6,f=2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.12) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -173:sc= -0.0919 (180deg=-0.169) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -0.623 (180deg=-1.06) USER MOD Single : A 10 CYS SG : rot 0:sc= -1.12 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.4 X(o=-0.4,f=0) USER MOD Single : A 21 GLN : amide:sc= 1.32 K(o=1.3,f=-4.2!) USER MOD Single : A 28 SER OG : rot -172:sc= 0.982 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc=-0.00578 USER MOD Single : A 36 GLN :FLIP amide:sc=-0.00482 F(o=-2.6,f=-0.0048) USER MOD Single : A 39 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.45) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 0.852 (180deg=0.608) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.326 -17.638 -4.286 1.00 0.00 N ATOM 2 CA GLY A 1 -4.108 -16.964 -5.573 1.00 0.00 C ATOM 3 C GLY A 1 -2.620 -16.812 -5.844 1.00 0.00 C ATOM 4 O GLY A 1 -2.022 -17.666 -6.496 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.347 -17.735 -4.114 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.887 -18.581 -4.309 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.898 -17.076 -3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.574 -17.537 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.585 -15.984 -5.563 1.00 0.00 H new ATOM 8 N HIS A 2 -1.987 -15.756 -5.333 1.00 0.00 N ATOM 9 CA HIS A 2 -0.553 -15.527 -5.434 1.00 0.00 C ATOM 10 C HIS A 2 0.060 -15.955 -4.103 1.00 0.00 C ATOM 11 O HIS A 2 -0.262 -15.354 -3.083 1.00 0.00 O ATOM 12 CB HIS A 2 -0.293 -14.048 -5.771 1.00 0.00 C ATOM 13 CG HIS A 2 1.032 -13.758 -6.433 1.00 0.00 C ATOM 14 ND1 HIS A 2 1.582 -12.504 -6.591 1.00 0.00 N ATOM 15 CD2 HIS A 2 1.826 -14.645 -7.116 1.00 0.00 C ATOM 16 CE1 HIS A 2 2.659 -12.624 -7.382 1.00 0.00 C ATOM 17 NE2 HIS A 2 2.844 -13.910 -7.730 1.00 0.00 N ATOM 0 H HIS A 2 -2.474 -15.018 -4.824 1.00 0.00 H new ATOM 0 HA HIS A 2 -0.094 -16.107 -6.234 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -1.091 -13.696 -6.425 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -0.355 -13.467 -4.851 1.00 0.00 H new ATOM 0 HD2 HIS A 2 1.689 -15.715 -7.169 1.00 0.00 H new ATOM 0 HE1 HIS A 2 3.288 -11.804 -7.695 1.00 0.00 H new ATOM 0 HE2 HIS A 2 3.585 -14.278 -8.327 1.00 0.00 H new ATOM 25 N SER A 3 0.813 -17.058 -4.104 1.00 0.00 N ATOM 26 CA SER A 3 1.392 -17.737 -2.946 1.00 0.00 C ATOM 27 C SER A 3 0.445 -17.891 -1.748 1.00 0.00 C ATOM 28 O SER A 3 -0.188 -18.938 -1.618 1.00 0.00 O ATOM 29 CB SER A 3 2.745 -17.144 -2.540 1.00 0.00 C ATOM 30 OG SER A 3 3.786 -17.734 -3.293 1.00 0.00 O ATOM 0 H SER A 3 1.050 -17.532 -4.976 1.00 0.00 H new ATOM 0 HA SER A 3 1.568 -18.756 -3.290 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.739 -16.066 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.918 -17.309 -1.477 1.00 0.00 H new ATOM 0 HG SER A 3 4.645 -17.345 -3.025 1.00 0.00 H new ATOM 36 N LYS A 4 0.348 -16.901 -0.854 1.00 0.00 N ATOM 37 CA LYS A 4 -0.368 -17.041 0.406 1.00 0.00 C ATOM 38 C LYS A 4 -0.902 -15.698 0.890 1.00 0.00 C ATOM 39 O LYS A 4 -0.929 -14.704 0.161 1.00 0.00 O ATOM 40 CB LYS A 4 0.535 -17.740 1.447 1.00 0.00 C ATOM 41 CG LYS A 4 1.801 -16.983 1.886 1.00 0.00 C ATOM 42 CD LYS A 4 2.375 -17.704 3.114 1.00 0.00 C ATOM 43 CE LYS A 4 3.734 -17.152 3.544 1.00 0.00 C ATOM 44 NZ LYS A 4 4.388 -18.006 4.564 1.00 0.00 N ATOM 0 H LYS A 4 0.767 -15.981 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.243 -17.674 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.064 -17.944 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.840 -18.704 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.533 -16.962 1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.563 -15.947 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.673 -17.615 3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.473 -18.767 2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.383 -17.069 2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.606 -16.146 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.306 -17.593 4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.782 -18.065 5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.535 -18.960 4.176 1.00 0.00 H new ATOM 58 N MET A 5 -1.362 -15.687 2.134 1.00 0.00 N ATOM 59 CA MET A 5 -1.655 -14.497 2.908 1.00 0.00 C ATOM 60 C MET A 5 -0.407 -13.605 3.008 1.00 0.00 C ATOM 61 O MET A 5 0.440 -13.797 3.878 1.00 0.00 O ATOM 62 CB MET A 5 -2.192 -14.908 4.291 1.00 0.00 C ATOM 63 CG MET A 5 -1.310 -15.939 5.027 1.00 0.00 C ATOM 64 SD MET A 5 -1.229 -15.727 6.823 1.00 0.00 S ATOM 65 CE MET A 5 -0.286 -14.180 6.938 1.00 0.00 C ATOM 0 H MET A 5 -1.548 -16.547 2.650 1.00 0.00 H new ATOM 0 HA MET A 5 -2.426 -13.909 2.410 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.286 -14.017 4.912 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.194 -15.321 4.172 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.687 -16.939 4.810 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.299 -15.885 4.623 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.044 -13.978 7.981 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.635 -14.272 6.363 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.883 -13.360 6.539 1.00 0.00 H new ATOM 75 N SER A 6 -0.292 -12.597 2.153 1.00 0.00 N ATOM 76 CA SER A 6 0.682 -11.516 2.259 1.00 0.00 C ATOM 77 C SER A 6 0.298 -10.543 3.387 1.00 0.00 C ATOM 78 O SER A 6 0.128 -9.349 3.173 1.00 0.00 O ATOM 79 CB SER A 6 0.713 -10.787 0.930 1.00 0.00 C ATOM 80 OG SER A 6 1.100 -11.636 -0.142 1.00 0.00 O ATOM 0 H SER A 6 -0.896 -12.506 1.336 1.00 0.00 H new ATOM 0 HA SER A 6 1.665 -11.924 2.496 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.273 -10.371 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.406 -9.948 0.994 1.00 0.00 H new ATOM 0 HG SER A 6 1.105 -11.125 -0.978 1.00 0.00 H new ATOM 86 N ASP A 7 0.122 -11.072 4.590 1.00 0.00 N ATOM 87 CA ASP A 7 0.062 -10.326 5.848 1.00 0.00 C ATOM 88 C ASP A 7 -0.986 -9.203 5.800 1.00 0.00 C ATOM 89 O ASP A 7 -0.692 -8.014 5.936 1.00 0.00 O ATOM 90 CB ASP A 7 1.490 -9.872 6.244 1.00 0.00 C ATOM 91 CG ASP A 7 2.039 -10.643 7.436 1.00 0.00 C ATOM 92 OD1 ASP A 7 1.729 -11.847 7.606 1.00 0.00 O ATOM 93 OD2 ASP A 7 2.745 -10.041 8.271 1.00 0.00 O ATOM 0 H ASP A 7 0.012 -12.077 4.726 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.292 -10.975 6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.158 -10.002 5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.477 -8.808 6.479 1.00 0.00 H new ATOM 98 N VAL A 8 -2.253 -9.590 5.635 1.00 0.00 N ATOM 99 CA VAL A 8 -3.390 -8.689 5.485 1.00 0.00 C ATOM 100 C VAL A 8 -4.179 -8.634 6.793 1.00 0.00 C ATOM 101 O VAL A 8 -5.282 -9.168 6.928 1.00 0.00 O ATOM 102 CB VAL A 8 -4.227 -9.086 4.253 1.00 0.00 C ATOM 103 CG1 VAL A 8 -3.468 -8.782 2.958 1.00 0.00 C ATOM 104 CG2 VAL A 8 -4.606 -10.573 4.243 1.00 0.00 C ATOM 0 H VAL A 8 -2.521 -10.574 5.601 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.051 -7.671 5.292 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.140 -8.494 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.078 -9.071 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.251 -7.715 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.534 -9.344 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.194 -10.793 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.700 -11.179 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.193 -10.805 5.132 1.00 0.00 H new ATOM 114 N LYS A 9 -3.592 -7.981 7.789 1.00 0.00 N ATOM 115 CA LYS A 9 -4.164 -7.772 9.108 1.00 0.00 C ATOM 116 C LYS A 9 -4.091 -6.300 9.518 1.00 0.00 C ATOM 117 O LYS A 9 -3.935 -5.989 10.699 1.00 0.00 O ATOM 118 CB LYS A 9 -3.555 -8.736 10.101 1.00 0.00 C ATOM 119 CG LYS A 9 -2.044 -8.565 10.180 1.00 0.00 C ATOM 120 CD LYS A 9 -1.411 -9.913 9.929 1.00 0.00 C ATOM 121 CE LYS A 9 0.101 -9.721 10.081 1.00 0.00 C ATOM 122 NZ LYS A 9 0.862 -10.985 10.085 1.00 0.00 N ATOM 0 H LYS A 9 -2.665 -7.566 7.692 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.230 -8.000 9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.994 -8.573 11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.793 -9.759 9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.703 -7.840 9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.754 -8.183 11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.781 -10.653 10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.657 -10.277 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.462 -9.092 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.299 -9.185 11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.877 -10.780 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.696 -11.487 10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.550 -11.580 9.291 1.00 0.00 H new ATOM 136 N CYS A 10 -4.212 -5.422 8.517 1.00 0.00 N ATOM 137 CA CYS A 10 -4.262 -3.976 8.637 1.00 0.00 C ATOM 138 C CYS A 10 -3.105 -3.442 9.508 1.00 0.00 C ATOM 139 O CYS A 10 -3.312 -2.894 10.596 1.00 0.00 O ATOM 140 CB CYS A 10 -5.663 -3.586 9.130 1.00 0.00 C ATOM 141 SG CYS A 10 -7.001 -4.336 8.157 1.00 0.00 S ATOM 0 H CYS A 10 -4.281 -5.729 7.547 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.107 -3.499 7.669 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.770 -3.885 10.173 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.763 -2.501 9.097 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.492 -5.074 7.216 1.00 0.00 H new ATOM 147 N THR A 11 -1.886 -3.567 8.978 1.00 0.00 N ATOM 148 CA THR A 11 -0.623 -3.069 9.521 1.00 0.00 C ATOM 149 C THR A 11 -0.749 -1.631 10.037 1.00 0.00 C ATOM 150 O THR A 11 -0.709 -1.405 11.248 1.00 0.00 O ATOM 151 CB THR A 11 0.549 -3.282 8.513 1.00 0.00 C ATOM 152 OG1 THR A 11 1.572 -2.318 8.661 1.00 0.00 O ATOM 153 CG2 THR A 11 0.142 -3.231 7.034 1.00 0.00 C ATOM 0 H THR A 11 -1.747 -4.055 8.093 1.00 0.00 H new ATOM 0 HA THR A 11 -0.372 -3.664 10.399 1.00 0.00 H new ATOM 0 HB THR A 11 0.893 -4.285 8.764 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.283 -2.493 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.021 -3.389 6.409 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.592 -4.011 6.832 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.292 -2.257 6.810 1.00 0.00 H new ATOM 161 N SER A 12 -0.876 -0.657 9.137 1.00 0.00 N ATOM 162 CA SER A 12 -0.603 0.752 9.408 1.00 0.00 C ATOM 163 C SER A 12 -1.801 1.597 8.974 1.00 0.00 C ATOM 164 O SER A 12 -2.296 1.440 7.853 1.00 0.00 O ATOM 165 CB SER A 12 0.708 1.139 8.709 1.00 0.00 C ATOM 166 OG SER A 12 1.772 0.358 9.222 1.00 0.00 O ATOM 0 H SER A 12 -1.178 -0.830 8.178 1.00 0.00 H new ATOM 0 HA SER A 12 -0.469 0.936 10.474 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.617 0.985 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.915 2.198 8.863 1.00 0.00 H new ATOM 0 HG SER A 12 1.600 -0.589 9.040 1.00 0.00 H new ATOM 172 N VAL A 13 -2.290 2.492 9.844 1.00 0.00 N ATOM 173 CA VAL A 13 -3.459 3.327 9.540 1.00 0.00 C ATOM 174 C VAL A 13 -3.252 4.164 8.278 1.00 0.00 C ATOM 175 O VAL A 13 -4.219 4.507 7.602 1.00 0.00 O ATOM 176 CB VAL A 13 -3.885 4.206 10.726 1.00 0.00 C ATOM 177 CG1 VAL A 13 -4.405 3.348 11.881 1.00 0.00 C ATOM 178 CG2 VAL A 13 -2.778 5.150 11.199 1.00 0.00 C ATOM 0 H VAL A 13 -1.891 2.656 10.768 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.280 2.636 9.348 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.696 4.839 10.367 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.700 3.993 12.709 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.266 2.770 11.546 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.619 2.669 12.212 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.140 5.744 12.038 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.912 4.567 11.514 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.492 5.813 10.382 1.00 0.00 H new ATOM 188 N VAL A 14 -1.993 4.414 7.922 1.00 0.00 N ATOM 189 CA VAL A 14 -1.575 5.209 6.786 1.00 0.00 C ATOM 190 C VAL A 14 -2.120 4.652 5.466 1.00 0.00 C ATOM 191 O VAL A 14 -2.271 5.426 4.526 1.00 0.00 O ATOM 192 CB VAL A 14 -0.036 5.310 6.746 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.399 6.580 6.008 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.616 5.330 8.127 1.00 0.00 C ATOM 0 H VAL A 14 -1.202 4.045 8.450 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.992 6.209 6.907 1.00 0.00 H new ATOM 0 HB VAL A 14 0.296 4.411 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.487 6.635 5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.019 6.555 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.000 7.454 6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.698 5.402 8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.250 6.189 8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.366 4.413 8.661 1.00 0.00 H new ATOM 204 N LEU A 15 -2.443 3.352 5.376 1.00 0.00 N ATOM 205 CA LEU A 15 -3.147 2.800 4.216 1.00 0.00 C ATOM 206 C LEU A 15 -4.636 2.971 4.409 1.00 0.00 C ATOM 207 O LEU A 15 -5.355 3.447 3.538 1.00 0.00 O ATOM 208 CB LEU A 15 -2.904 1.290 4.004 1.00 0.00 C ATOM 209 CG LEU A 15 -1.476 0.751 3.864 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.502 1.868 3.506 1.00 0.00 C ATOM 211 CD2 LEU A 15 -1.022 0.076 5.157 1.00 0.00 C ATOM 0 H LEU A 15 -2.225 2.665 6.097 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.763 3.340 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.366 0.768 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.449 0.998 3.106 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.481 0.016 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.504 1.458 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.799 2.320 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.514 2.626 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.006 -0.299 5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.046 0.799 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.690 -0.754 5.388 1.00 0.00 H new ATOM 223 N LEU A 16 -5.066 2.475 5.558 1.00 0.00 N ATOM 224 CA LEU A 16 -6.397 2.086 5.949 1.00 0.00 C ATOM 225 C LEU A 16 -7.341 3.274 5.985 1.00 0.00 C ATOM 226 O LEU A 16 -8.484 3.172 5.538 1.00 0.00 O ATOM 227 CB LEU A 16 -6.228 1.498 7.354 1.00 0.00 C ATOM 228 CG LEU A 16 -5.799 0.020 7.376 1.00 0.00 C ATOM 229 CD1 LEU A 16 -5.081 -0.263 8.695 1.00 0.00 C ATOM 230 CD2 LEU A 16 -7.042 -0.827 7.085 1.00 0.00 C ATOM 0 H LEU A 16 -4.408 2.321 6.322 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.832 1.379 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.487 2.087 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.170 1.599 7.893 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.073 -0.240 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.771 -1.308 8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.203 0.378 8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.756 -0.061 9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.773 -1.883 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.797 -0.639 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.442 -0.562 6.106 1.00 0.00 H new ATOM 242 N SER A 17 -6.867 4.389 6.530 1.00 0.00 N ATOM 243 CA SER A 17 -7.555 5.663 6.559 1.00 0.00 C ATOM 244 C SER A 17 -7.942 6.034 5.130 1.00 0.00 C ATOM 245 O SER A 17 -9.110 6.272 4.839 1.00 0.00 O ATOM 246 CB SER A 17 -6.592 6.676 7.192 1.00 0.00 C ATOM 247 OG SER A 17 -7.154 7.952 7.383 1.00 0.00 O ATOM 0 H SER A 17 -5.953 4.425 6.982 1.00 0.00 H new ATOM 0 HA SER A 17 -8.473 5.638 7.147 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.255 6.290 8.154 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.710 6.769 6.559 1.00 0.00 H new ATOM 0 HG SER A 17 -6.488 8.545 7.790 1.00 0.00 H new ATOM 253 N VAL A 18 -6.983 5.978 4.208 1.00 0.00 N ATOM 254 CA VAL A 18 -7.135 6.378 2.814 1.00 0.00 C ATOM 255 C VAL A 18 -8.069 5.436 2.047 1.00 0.00 C ATOM 256 O VAL A 18 -8.480 5.760 0.934 1.00 0.00 O ATOM 257 CB VAL A 18 -5.747 6.427 2.137 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.746 7.286 0.873 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.629 6.883 3.077 1.00 0.00 C ATOM 0 H VAL A 18 -6.045 5.640 4.421 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.589 7.369 2.794 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.539 5.395 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.748 7.288 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.457 6.877 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.033 8.307 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.682 6.895 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.849 7.885 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.558 6.195 3.919 1.00 0.00 H new ATOM 269 N LEU A 19 -8.423 4.267 2.591 1.00 0.00 N ATOM 270 CA LEU A 19 -9.374 3.376 1.947 1.00 0.00 C ATOM 271 C LEU A 19 -10.769 3.635 2.507 1.00 0.00 C ATOM 272 O LEU A 19 -11.714 3.828 1.738 1.00 0.00 O ATOM 273 CB LEU A 19 -8.921 1.921 2.110 1.00 0.00 C ATOM 274 CG LEU A 19 -7.519 1.609 1.576 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.245 0.110 1.696 1.00 0.00 C ATOM 276 CD2 LEU A 19 -7.299 2.109 0.143 1.00 0.00 C ATOM 0 H LEU A 19 -8.060 3.921 3.479 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.415 3.571 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.954 1.664 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.638 1.275 1.602 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.802 2.155 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.247 -0.109 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.308 -0.189 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.984 -0.443 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.288 1.858 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.020 1.634 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.432 3.190 0.110 1.00 0.00 H new ATOM 288 N GLN A 20 -10.888 3.658 3.838 1.00 0.00 N ATOM 289 CA GLN A 20 -12.143 3.885 4.549 1.00 0.00 C ATOM 290 C GLN A 20 -12.652 5.321 4.369 1.00 0.00 C ATOM 291 O GLN A 20 -13.829 5.597 4.584 1.00 0.00 O ATOM 292 CB GLN A 20 -11.952 3.491 6.025 1.00 0.00 C ATOM 293 CG GLN A 20 -11.359 4.590 6.906 1.00 0.00 C ATOM 294 CD GLN A 20 -10.959 4.070 8.277 1.00 0.00 C ATOM 295 OE1 GLN A 20 -11.700 4.196 9.251 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.782 3.476 8.362 1.00 0.00 N ATOM 0 H GLN A 20 -10.094 3.516 4.462 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.925 3.256 4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.917 3.195 6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.304 2.616 6.073 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.487 5.018 6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.086 5.393 7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.194 3.389 7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.462 3.104 9.256 1.00 0.00 H new ATOM 305 N GLN A 21 -11.782 6.236 3.944 1.00 0.00 N ATOM 306 CA GLN A 21 -12.088 7.597 3.544 1.00 0.00 C ATOM 307 C GLN A 21 -13.120 7.622 2.404 1.00 0.00 C ATOM 308 O GLN A 21 -13.776 8.646 2.210 1.00 0.00 O ATOM 309 CB GLN A 21 -10.728 8.249 3.215 1.00 0.00 C ATOM 310 CG GLN A 21 -10.708 9.596 2.493 1.00 0.00 C ATOM 311 CD GLN A 21 -9.265 10.039 2.218 1.00 0.00 C ATOM 312 OE1 GLN A 21 -8.777 9.987 1.090 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.535 10.436 3.247 1.00 0.00 N ATOM 0 H GLN A 21 -10.786 6.028 3.867 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.575 8.175 4.330 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.186 8.370 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.162 7.542 2.608 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.256 9.520 1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.216 10.347 3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.947 10.476 4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.560 10.702 3.108 1.00 0.00 H new ATOM 322 N LEU A 22 -13.299 6.516 1.665 1.00 0.00 N ATOM 323 CA LEU A 22 -14.187 6.442 0.513 1.00 0.00 C ATOM 324 C LEU A 22 -15.284 5.407 0.763 1.00 0.00 C ATOM 325 O LEU A 22 -16.386 5.804 1.130 1.00 0.00 O ATOM 326 CB LEU A 22 -13.425 6.192 -0.804 1.00 0.00 C ATOM 327 CG LEU A 22 -12.282 7.156 -1.159 1.00 0.00 C ATOM 328 CD1 LEU A 22 -12.691 8.623 -1.186 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.034 6.913 -0.315 1.00 0.00 C ATOM 0 H LEU A 22 -12.819 5.638 1.861 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.664 7.414 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.014 5.183 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.148 6.213 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.020 6.918 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.828 9.237 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.475 8.768 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.063 8.915 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.256 7.619 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.275 7.050 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.678 5.895 -0.476 1.00 0.00 H new ATOM 341 N ARG A 23 -15.041 4.117 0.490 1.00 0.00 N ATOM 342 CA ARG A 23 -16.063 3.061 0.456 1.00 0.00 C ATOM 343 C ARG A 23 -15.463 1.664 0.374 1.00 0.00 C ATOM 344 O ARG A 23 -16.089 0.757 -0.182 1.00 0.00 O ATOM 345 CB ARG A 23 -17.061 3.291 -0.698 1.00 0.00 C ATOM 346 CG ARG A 23 -16.666 2.938 -2.136 1.00 0.00 C ATOM 347 CD ARG A 23 -15.284 3.449 -2.521 1.00 0.00 C ATOM 348 NE ARG A 23 -15.203 3.780 -3.946 1.00 0.00 N ATOM 349 CZ ARG A 23 -15.770 4.849 -4.510 1.00 0.00 C ATOM 350 NH1 ARG A 23 -16.450 5.732 -3.785 1.00 0.00 N ATOM 351 NH2 ARG A 23 -15.662 5.063 -5.808 1.00 0.00 N ATOM 0 H ARG A 23 -14.105 3.770 0.281 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.601 3.122 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -17.964 2.728 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.332 4.347 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.693 1.855 -2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.404 3.354 -2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.045 4.332 -1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.537 2.693 -2.281 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.676 3.149 -4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.546 5.599 -2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.876 6.542 -4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.141 4.408 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.100 5.883 -6.228 1.00 0.00 H new ATOM 365 N VAL A 24 -14.201 1.509 0.767 1.00 0.00 N ATOM 366 CA VAL A 24 -13.492 0.259 0.551 1.00 0.00 C ATOM 367 C VAL A 24 -14.288 -0.902 1.147 1.00 0.00 C ATOM 368 O VAL A 24 -15.029 -0.752 2.118 1.00 0.00 O ATOM 369 CB VAL A 24 -12.071 0.350 1.115 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.121 0.547 2.633 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.242 -0.888 0.741 1.00 0.00 C ATOM 0 H VAL A 24 -13.654 2.232 1.234 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.397 0.070 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.577 1.214 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.106 0.611 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.657 1.468 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.635 -0.297 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.239 -0.793 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.719 -1.781 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.180 -0.970 -0.344 1.00 0.00 H new ATOM 381 N GLU A 25 -14.124 -2.061 0.541 1.00 0.00 N ATOM 382 CA GLU A 25 -14.750 -3.296 0.944 1.00 0.00 C ATOM 383 C GLU A 25 -13.644 -4.252 1.355 1.00 0.00 C ATOM 384 O GLU A 25 -12.790 -4.578 0.532 1.00 0.00 O ATOM 385 CB GLU A 25 -15.523 -3.880 -0.231 1.00 0.00 C ATOM 386 CG GLU A 25 -16.460 -2.894 -0.923 1.00 0.00 C ATOM 387 CD GLU A 25 -17.016 -3.549 -2.178 1.00 0.00 C ATOM 388 OE1 GLU A 25 -16.311 -3.479 -3.221 1.00 0.00 O ATOM 389 OE2 GLU A 25 -18.070 -4.214 -2.106 1.00 0.00 O ATOM 0 H GLU A 25 -13.526 -2.168 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.443 -3.130 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.812 -4.262 -0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.106 -4.731 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.272 -2.611 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.924 -1.980 -1.179 1.00 0.00 H new ATOM 396 N SER A 26 -13.693 -4.732 2.590 1.00 0.00 N ATOM 397 CA SER A 26 -12.929 -5.863 3.103 1.00 0.00 C ATOM 398 C SER A 26 -13.012 -7.071 2.161 1.00 0.00 C ATOM 399 O SER A 26 -12.041 -7.794 1.936 1.00 0.00 O ATOM 400 CB SER A 26 -13.544 -6.206 4.468 1.00 0.00 C ATOM 401 OG SER A 26 -14.961 -6.236 4.368 1.00 0.00 O ATOM 0 H SER A 26 -14.299 -4.321 3.300 1.00 0.00 H new ATOM 0 HA SER A 26 -11.872 -5.609 3.186 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.175 -7.173 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.239 -5.468 5.210 1.00 0.00 H new ATOM 0 HG SER A 26 -15.346 -6.457 5.242 1.00 0.00 H new ATOM 407 N SER A 27 -14.209 -7.305 1.630 1.00 0.00 N ATOM 408 CA SER A 27 -14.571 -8.414 0.768 1.00 0.00 C ATOM 409 C SER A 27 -13.920 -8.328 -0.615 1.00 0.00 C ATOM 410 O SER A 27 -13.830 -9.344 -1.300 1.00 0.00 O ATOM 411 CB SER A 27 -16.098 -8.403 0.627 1.00 0.00 C ATOM 412 OG SER A 27 -16.711 -8.143 1.886 1.00 0.00 O ATOM 0 H SER A 27 -14.998 -6.683 1.805 1.00 0.00 H new ATOM 0 HA SER A 27 -14.212 -9.340 1.217 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.397 -7.643 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.441 -9.362 0.240 1.00 0.00 H new ATOM 0 HG SER A 27 -17.685 -8.137 1.780 1.00 0.00 H new ATOM 418 N SER A 28 -13.491 -7.146 -1.056 1.00 0.00 N ATOM 419 CA SER A 28 -13.013 -6.920 -2.412 1.00 0.00 C ATOM 420 C SER A 28 -11.514 -6.685 -2.350 1.00 0.00 C ATOM 421 O SER A 28 -11.090 -5.815 -1.589 1.00 0.00 O ATOM 422 CB SER A 28 -13.715 -5.696 -3.002 1.00 0.00 C ATOM 423 OG SER A 28 -15.123 -5.835 -2.909 1.00 0.00 O ATOM 0 H SER A 28 -13.467 -6.311 -0.471 1.00 0.00 H new ATOM 0 HA SER A 28 -13.228 -7.782 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.397 -4.798 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.425 -5.571 -4.045 1.00 0.00 H new ATOM 0 HG SER A 28 -15.557 -5.104 -3.397 1.00 0.00 H new ATOM 429 N LYS A 29 -10.741 -7.365 -3.216 1.00 0.00 N ATOM 430 CA LYS A 29 -9.268 -7.433 -3.182 1.00 0.00 C ATOM 431 C LYS A 29 -8.583 -6.100 -2.942 1.00 0.00 C ATOM 432 O LYS A 29 -7.472 -6.055 -2.435 1.00 0.00 O ATOM 433 CB LYS A 29 -8.690 -8.134 -4.435 1.00 0.00 C ATOM 434 CG LYS A 29 -8.380 -7.228 -5.646 1.00 0.00 C ATOM 435 CD LYS A 29 -9.635 -6.679 -6.329 1.00 0.00 C ATOM 436 CE LYS A 29 -9.409 -5.250 -6.822 1.00 0.00 C ATOM 437 NZ LYS A 29 -9.058 -5.189 -8.258 1.00 0.00 N ATOM 0 H LYS A 29 -11.139 -7.902 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.043 -8.044 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.772 -8.646 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.396 -8.901 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.759 -6.394 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.797 -7.793 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.906 -7.319 -7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.472 -6.699 -5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.311 -4.663 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.612 -4.790 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.916 -4.198 -8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.182 -5.725 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.829 -5.601 -8.822 1.00 0.00 H new ATOM 451 N LEU A 30 -9.229 -5.024 -3.364 1.00 0.00 N ATOM 452 CA LEU A 30 -8.823 -3.649 -3.223 1.00 0.00 C ATOM 453 C LEU A 30 -8.303 -3.326 -1.821 1.00 0.00 C ATOM 454 O LEU A 30 -7.226 -2.745 -1.710 1.00 0.00 O ATOM 455 CB LEU A 30 -10.025 -2.791 -3.631 1.00 0.00 C ATOM 456 CG LEU A 30 -9.673 -1.356 -4.026 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.235 -0.513 -2.822 1.00 0.00 C ATOM 458 CD2 LEU A 30 -8.647 -1.369 -5.167 1.00 0.00 C ATOM 0 H LEU A 30 -10.121 -5.105 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.972 -3.434 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.531 -3.271 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.734 -2.763 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.571 -0.863 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.996 0.498 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.043 -0.474 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.354 -0.963 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.399 -0.345 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.744 -1.884 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.068 -1.887 -6.029 1.00 0.00 H new ATOM 470 N TRP A 31 -9.024 -3.714 -0.764 1.00 0.00 N ATOM 471 CA TRP A 31 -8.582 -3.513 0.617 1.00 0.00 C ATOM 472 C TRP A 31 -7.162 -4.057 0.787 1.00 0.00 C ATOM 473 O TRP A 31 -6.217 -3.331 1.120 1.00 0.00 O ATOM 474 CB TRP A 31 -9.591 -4.195 1.559 1.00 0.00 C ATOM 475 CG TRP A 31 -9.146 -4.448 2.967 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.139 -3.559 3.984 1.00 0.00 C ATOM 477 CD2 TRP A 31 -8.677 -5.703 3.537 1.00 0.00 C ATOM 478 NE1 TRP A 31 -8.702 -4.180 5.141 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.399 -5.512 4.919 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.485 -6.997 3.020 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -7.976 -6.574 5.738 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -8.039 -8.059 3.824 1.00 0.00 C ATOM 483 CH2 TRP A 31 -7.791 -7.851 5.187 1.00 0.00 C ATOM 0 H TRP A 31 -9.930 -4.176 -0.843 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.549 -2.453 0.867 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.490 -3.580 1.594 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -9.875 -5.150 1.117 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.430 -2.522 3.906 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.614 -3.714 6.044 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.686 -7.179 1.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.794 -6.407 6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.887 -9.037 3.391 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.459 -8.669 5.810 1.00 0.00 H new ATOM 494 N ALA A 32 -7.001 -5.342 0.492 1.00 0.00 N ATOM 495 CA ALA A 32 -5.743 -6.035 0.646 1.00 0.00 C ATOM 496 C ALA A 32 -4.677 -5.497 -0.305 1.00 0.00 C ATOM 497 O ALA A 32 -3.511 -5.475 0.089 1.00 0.00 O ATOM 498 CB ALA A 32 -5.971 -7.502 0.359 1.00 0.00 C ATOM 0 H ALA A 32 -7.753 -5.932 0.136 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.385 -5.882 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.032 -8.045 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.705 -7.900 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.340 -7.620 -0.660 1.00 0.00 H new ATOM 504 N GLN A 33 -5.052 -5.065 -1.520 1.00 0.00 N ATOM 505 CA GLN A 33 -4.135 -4.539 -2.529 1.00 0.00 C ATOM 506 C GLN A 33 -3.279 -3.430 -1.933 1.00 0.00 C ATOM 507 O GLN A 33 -2.123 -3.304 -2.325 1.00 0.00 O ATOM 508 CB GLN A 33 -4.839 -3.971 -3.773 1.00 0.00 C ATOM 509 CG GLN A 33 -5.549 -5.006 -4.661 1.00 0.00 C ATOM 510 CD GLN A 33 -4.970 -5.293 -6.047 1.00 0.00 C ATOM 511 OE1 GLN A 33 -5.119 -6.398 -6.567 1.00 0.00 O ATOM 512 NE2 GLN A 33 -4.429 -4.309 -6.742 1.00 0.00 N ATOM 0 H GLN A 33 -6.024 -5.074 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.532 -5.390 -2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.572 -3.232 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.101 -3.444 -4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.581 -5.948 -4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.580 -4.679 -4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.304 -3.391 -6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.136 -4.467 -7.706 1.00 0.00 H new ATOM 521 N CYS A 34 -3.814 -2.643 -0.994 1.00 0.00 N ATOM 522 CA CYS A 34 -3.011 -1.615 -0.348 1.00 0.00 C ATOM 523 C CYS A 34 -2.317 -2.177 0.888 1.00 0.00 C ATOM 524 O CYS A 34 -1.112 -1.970 1.030 1.00 0.00 O ATOM 525 CB CYS A 34 -3.847 -0.394 0.028 1.00 0.00 C ATOM 526 SG CYS A 34 -2.720 1.020 0.208 1.00 0.00 S ATOM 0 H CYS A 34 -4.781 -2.700 -0.673 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.257 -1.293 -1.066 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.594 -0.192 -0.740 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.387 -0.573 0.958 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.401 2.080 0.527 1.00 0.00 H new ATOM 532 N VAL A 35 -3.068 -2.842 1.779 1.00 0.00 N ATOM 533 CA VAL A 35 -2.577 -3.305 3.078 1.00 0.00 C ATOM 534 C VAL A 35 -1.276 -4.087 2.896 1.00 0.00 C ATOM 535 O VAL A 35 -0.283 -3.766 3.546 1.00 0.00 O ATOM 536 CB VAL A 35 -3.664 -4.124 3.815 1.00 0.00 C ATOM 537 CG1 VAL A 35 -3.146 -4.781 5.106 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.872 -3.259 4.207 1.00 0.00 C ATOM 0 H VAL A 35 -4.047 -3.075 1.611 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.355 -2.444 3.708 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.956 -4.893 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.953 -5.341 5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.326 -5.458 4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.791 -4.010 5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.609 -3.875 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.545 -2.456 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.319 -2.831 3.310 1.00 0.00 H new ATOM 548 N GLN A 36 -1.268 -5.085 2.009 1.00 0.00 N ATOM 549 CA GLN A 36 -0.088 -5.918 1.849 1.00 0.00 C ATOM 550 C GLN A 36 1.036 -5.187 1.117 1.00 0.00 C ATOM 551 O GLN A 36 2.209 -5.470 1.334 1.00 0.00 O ATOM 552 CB GLN A 36 -0.449 -7.230 1.148 1.00 0.00 C ATOM 553 CG GLN A 36 -0.928 -7.135 -0.304 1.00 0.00 C ATOM 554 CD GLN A 36 0.120 -7.663 -1.274 1.00 0.00 C ATOM 555 OE1 GLN A 36 1.075 -6.829 -1.653 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 0.043 -8.806 -1.717 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.052 -5.328 1.404 1.00 0.00 H new ATOM 0 HA GLN A 36 0.288 -6.152 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.426 -7.880 1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.228 -7.722 1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.852 -7.702 -0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.158 -6.097 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.705 -9.425 -1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.727 -9.137 -2.397 1.00 0.00 H new ATOM 565 N LEU A 37 0.699 -4.295 0.179 1.00 0.00 N ATOM 566 CA LEU A 37 1.694 -3.716 -0.717 1.00 0.00 C ATOM 567 C LEU A 37 2.623 -2.795 0.058 1.00 0.00 C ATOM 568 O LEU A 37 3.797 -2.735 -0.280 1.00 0.00 O ATOM 569 CB LEU A 37 1.001 -3.037 -1.891 1.00 0.00 C ATOM 570 CG LEU A 37 1.872 -2.963 -3.158 1.00 0.00 C ATOM 571 CD1 LEU A 37 0.974 -2.840 -4.389 1.00 0.00 C ATOM 572 CD2 LEU A 37 2.904 -1.843 -3.111 1.00 0.00 C ATOM 0 H LEU A 37 -0.253 -3.962 0.024 1.00 0.00 H new ATOM 0 HA LEU A 37 2.323 -4.499 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.082 -3.576 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.713 -2.027 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 37 2.446 -3.888 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.591 -2.788 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.319 -3.709 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.371 -1.936 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.485 -1.845 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.396 -0.885 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.570 -1.997 -2.262 1.00 0.00 H new ATOM 584 N HIS A 38 2.124 -2.188 1.141 1.00 0.00 N ATOM 585 CA HIS A 38 2.923 -1.483 2.134 1.00 0.00 C ATOM 586 C HIS A 38 4.117 -2.331 2.547 1.00 0.00 C ATOM 587 O HIS A 38 5.259 -1.939 2.315 1.00 0.00 O ATOM 588 CB HIS A 38 2.020 -1.129 3.329 1.00 0.00 C ATOM 589 CG HIS A 38 2.667 -0.388 4.482 1.00 0.00 C ATOM 590 ND1 HIS A 38 3.090 -0.946 5.674 1.00 0.00 N ATOM 591 CD2 HIS A 38 2.862 0.966 4.574 1.00 0.00 C ATOM 592 CE1 HIS A 38 3.575 0.047 6.443 1.00 0.00 C ATOM 593 NE2 HIS A 38 3.432 1.228 5.822 1.00 0.00 N ATOM 0 H HIS A 38 1.126 -2.177 1.351 1.00 0.00 H new ATOM 0 HA HIS A 38 3.322 -0.559 1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.191 -0.525 2.960 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.593 -2.054 3.717 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.619 1.698 3.818 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.016 -0.088 7.420 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.690 2.143 6.191 1.00 0.00 H new ATOM 601 N ASN A 39 3.852 -3.533 3.070 1.00 0.00 N ATOM 602 CA ASN A 39 4.929 -4.405 3.515 1.00 0.00 C ATOM 603 C ASN A 39 5.853 -4.710 2.346 1.00 0.00 C ATOM 604 O ASN A 39 7.067 -4.711 2.505 1.00 0.00 O ATOM 605 CB ASN A 39 4.466 -5.751 4.079 1.00 0.00 C ATOM 606 CG ASN A 39 3.194 -5.697 4.889 1.00 0.00 C ATOM 607 OD1 ASN A 39 3.097 -4.986 5.883 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.184 -6.426 4.464 1.00 0.00 N ATOM 0 H ASN A 39 2.914 -3.914 3.192 1.00 0.00 H new ATOM 0 HA ASN A 39 5.424 -3.858 4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.323 -6.445 3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.260 -6.159 4.704 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.295 -6.407 4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.290 -7.010 3.634 1.00 0.00 H new ATOM 615 N ASP A 40 5.283 -4.992 1.171 1.00 0.00 N ATOM 616 CA ASP A 40 6.032 -5.423 -0.007 1.00 0.00 C ATOM 617 C ASP A 40 6.964 -4.320 -0.535 1.00 0.00 C ATOM 618 O ASP A 40 7.783 -4.620 -1.403 1.00 0.00 O ATOM 619 CB ASP A 40 5.099 -5.943 -1.121 1.00 0.00 C ATOM 620 CG ASP A 40 4.521 -7.353 -0.875 1.00 0.00 C ATOM 621 OD1 ASP A 40 4.904 -8.040 0.105 1.00 0.00 O ATOM 622 OD2 ASP A 40 3.674 -7.816 -1.678 1.00 0.00 O ATOM 0 H ASP A 40 4.278 -4.926 1.012 1.00 0.00 H new ATOM 0 HA ASP A 40 6.661 -6.254 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.272 -5.242 -1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.649 -5.950 -2.062 1.00 0.00 H new ATOM 627 N ILE A 41 6.887 -3.083 -0.021 1.00 0.00 N ATOM 628 CA ILE A 41 7.885 -2.031 -0.231 1.00 0.00 C ATOM 629 C ILE A 41 9.129 -2.387 0.601 1.00 0.00 C ATOM 630 O ILE A 41 10.216 -2.581 0.057 1.00 0.00 O ATOM 631 CB ILE A 41 7.331 -0.630 0.168 1.00 0.00 C ATOM 632 CG1 ILE A 41 5.977 -0.255 -0.459 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.321 0.502 -0.152 1.00 0.00 C ATOM 634 CD1 ILE A 41 5.862 -0.479 -1.961 1.00 0.00 C ATOM 0 H ILE A 41 6.109 -2.782 0.566 1.00 0.00 H new ATOM 0 HA ILE A 41 8.141 -1.974 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 41 7.184 -0.730 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.196 -0.831 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.779 0.796 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.889 1.458 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.250 0.338 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.527 0.513 -1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.869 -0.182 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.614 0.119 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.021 -1.534 -2.185 1.00 0.00 H new ATOM 646 N LEU A 42 9.001 -2.479 1.929 1.00 0.00 N ATOM 647 CA LEU A 42 10.128 -2.762 2.827 1.00 0.00 C ATOM 648 C LEU A 42 10.680 -4.175 2.589 1.00 0.00 C ATOM 649 O LEU A 42 11.858 -4.452 2.834 1.00 0.00 O ATOM 650 CB LEU A 42 9.704 -2.578 4.293 1.00 0.00 C ATOM 651 CG LEU A 42 9.198 -1.161 4.634 1.00 0.00 C ATOM 652 CD1 LEU A 42 8.871 -1.071 6.125 1.00 0.00 C ATOM 653 CD2 LEU A 42 10.205 -0.065 4.271 1.00 0.00 C ATOM 0 H LEU A 42 8.111 -2.359 2.413 1.00 0.00 H new ATOM 0 HA LEU A 42 10.926 -2.053 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.919 -3.297 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.552 -2.813 4.937 1.00 0.00 H new ATOM 0 HG LEU A 42 8.303 -0.994 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.514 -0.068 6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.098 -1.798 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.768 -1.282 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.793 0.909 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.133 -0.227 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.407 -0.096 3.200 1.00 0.00 H new ATOM 665 N LEU A 43 9.843 -5.070 2.064 1.00 0.00 N ATOM 666 CA LEU A 43 10.140 -6.455 1.713 1.00 0.00 C ATOM 667 C LEU A 43 10.425 -6.580 0.207 1.00 0.00 C ATOM 668 O LEU A 43 10.418 -7.689 -0.330 1.00 0.00 O ATOM 669 CB LEU A 43 8.970 -7.352 2.161 1.00 0.00 C ATOM 670 CG LEU A 43 8.859 -7.666 3.671 1.00 0.00 C ATOM 671 CD1 LEU A 43 9.031 -6.485 4.634 1.00 0.00 C ATOM 672 CD2 LEU A 43 7.472 -8.264 3.937 1.00 0.00 C ATOM 0 H LEU A 43 8.874 -4.828 1.860 1.00 0.00 H new ATOM 0 HA LEU A 43 11.040 -6.786 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.041 -6.878 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.044 -8.298 1.624 1.00 0.00 H new ATOM 0 HG LEU A 43 9.691 -8.340 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.931 -6.836 5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.018 -6.043 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.266 -5.735 4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.372 -8.493 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.705 -7.546 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.352 -9.178 3.355 1.00 0.00 H new ATOM 684 N ALA A 44 10.646 -5.460 -0.493 1.00 0.00 N ATOM 685 CA ALA A 44 11.084 -5.479 -1.879 1.00 0.00 C ATOM 686 C ALA A 44 12.521 -5.988 -1.987 1.00 0.00 C ATOM 687 O ALA A 44 13.257 -6.016 -0.998 1.00 0.00 O ATOM 688 CB ALA A 44 10.990 -4.089 -2.495 1.00 0.00 C ATOM 0 H ALA A 44 10.524 -4.523 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 44 10.426 -6.155 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.323 -4.127 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.957 -3.744 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.623 -3.400 -1.936 1.00 0.00 H new ATOM 694 N LYS A 45 12.962 -6.279 -3.209 1.00 0.00 N ATOM 695 CA LYS A 45 14.346 -6.635 -3.516 1.00 0.00 C ATOM 696 C LYS A 45 15.328 -5.546 -3.087 1.00 0.00 C ATOM 697 O LYS A 45 16.351 -5.849 -2.474 1.00 0.00 O ATOM 698 CB LYS A 45 14.484 -6.837 -5.029 1.00 0.00 C ATOM 699 CG LYS A 45 13.706 -8.021 -5.612 1.00 0.00 C ATOM 700 CD LYS A 45 14.427 -9.360 -5.398 1.00 0.00 C ATOM 701 CE LYS A 45 14.484 -10.097 -6.739 1.00 0.00 C ATOM 702 NZ LYS A 45 15.310 -11.315 -6.662 1.00 0.00 N ATOM 0 H LYS A 45 12.356 -6.274 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 45 14.583 -7.547 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.155 -5.927 -5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.540 -6.967 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.719 -8.066 -5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.553 -7.861 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.433 -9.192 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.900 -9.961 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.474 -10.363 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.888 -9.432 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.323 -11.785 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.281 -11.060 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.910 -11.961 -5.952 1.00 0.00 H new ATOM 716 N ASP A 46 15.030 -4.296 -3.447 1.00 0.00 N ATOM 717 CA ASP A 46 15.952 -3.158 -3.438 1.00 0.00 C ATOM 718 C ASP A 46 15.136 -1.901 -3.120 1.00 0.00 C ATOM 719 O ASP A 46 13.960 -2.002 -2.763 1.00 0.00 O ATOM 720 CB ASP A 46 16.630 -2.989 -4.814 1.00 0.00 C ATOM 721 CG ASP A 46 17.366 -4.241 -5.303 1.00 0.00 C ATOM 722 OD1 ASP A 46 18.484 -4.506 -4.802 1.00 0.00 O ATOM 723 OD2 ASP A 46 16.857 -4.947 -6.198 1.00 0.00 O ATOM 0 H ASP A 46 14.097 -4.038 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 46 16.731 -3.323 -2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.874 -2.714 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.338 -2.162 -4.760 1.00 0.00 H new ATOM 728 N THR A 47 15.718 -0.710 -3.275 1.00 0.00 N ATOM 729 CA THR A 47 14.998 0.559 -3.254 1.00 0.00 C ATOM 730 C THR A 47 14.073 0.689 -4.459 1.00 0.00 C ATOM 731 O THR A 47 12.866 0.858 -4.306 1.00 0.00 O ATOM 732 CB THR A 47 15.985 1.733 -3.266 1.00 0.00 C ATOM 733 OG1 THR A 47 16.871 1.664 -2.177 1.00 0.00 O ATOM 734 CG2 THR A 47 15.233 3.058 -3.229 1.00 0.00 C ATOM 0 H THR A 47 16.722 -0.602 -3.421 1.00 0.00 H new ATOM 0 HA THR A 47 14.402 0.580 -2.341 1.00 0.00 H new ATOM 0 HB THR A 47 16.564 1.670 -4.188 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.490 2.423 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.947 3.882 -3.238 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.583 3.132 -4.101 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.631 3.109 -2.322 1.00 0.00 H new ATOM 742 N THR A 48 14.657 0.687 -5.655 1.00 0.00 N ATOM 743 CA THR A 48 13.982 1.069 -6.880 1.00 0.00 C ATOM 744 C THR A 48 12.761 0.173 -7.099 1.00 0.00 C ATOM 745 O THR A 48 11.649 0.664 -7.277 1.00 0.00 O ATOM 746 CB THR A 48 15.033 1.106 -8.004 1.00 0.00 C ATOM 747 OG1 THR A 48 14.474 1.557 -9.213 1.00 0.00 O ATOM 748 CG2 THR A 48 15.811 -0.206 -8.195 1.00 0.00 C ATOM 0 H THR A 48 15.630 0.414 -5.796 1.00 0.00 H new ATOM 0 HA THR A 48 13.556 2.072 -6.845 1.00 0.00 H new ATOM 0 HB THR A 48 15.779 1.829 -7.674 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.165 1.572 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.529 -0.088 -9.007 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.341 -0.452 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 48 15.116 -1.009 -8.439 1.00 0.00 H new ATOM 756 N GLU A 49 12.932 -1.141 -6.943 1.00 0.00 N ATOM 757 CA GLU A 49 11.840 -2.095 -7.125 1.00 0.00 C ATOM 758 C GLU A 49 10.826 -2.038 -5.963 1.00 0.00 C ATOM 759 O GLU A 49 9.740 -2.599 -6.074 1.00 0.00 O ATOM 760 CB GLU A 49 12.407 -3.509 -7.361 1.00 0.00 C ATOM 761 CG GLU A 49 11.394 -4.382 -8.119 1.00 0.00 C ATOM 762 CD GLU A 49 11.914 -5.781 -8.436 1.00 0.00 C ATOM 763 OE1 GLU A 49 12.637 -5.950 -9.437 1.00 0.00 O ATOM 764 OE2 GLU A 49 11.472 -6.744 -7.760 1.00 0.00 O ATOM 0 H GLU A 49 13.822 -1.569 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 49 11.277 -1.815 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.335 -3.444 -7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.650 -3.973 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.484 -4.467 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.122 -3.884 -9.050 1.00 0.00 H new ATOM 771 N ALA A 50 11.136 -1.347 -4.856 1.00 0.00 N ATOM 772 CA ALA A 50 10.172 -1.061 -3.806 1.00 0.00 C ATOM 773 C ALA A 50 9.204 0.011 -4.279 1.00 0.00 C ATOM 774 O ALA A 50 8.006 -0.245 -4.377 1.00 0.00 O ATOM 775 CB ALA A 50 10.857 -0.631 -2.502 1.00 0.00 C ATOM 0 H ALA A 50 12.067 -0.974 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 50 9.623 -1.978 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.101 -0.427 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.513 -1.430 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.445 0.269 -2.680 1.00 0.00 H new ATOM 781 N PHE A 51 9.688 1.229 -4.535 1.00 0.00 N ATOM 782 CA PHE A 51 8.768 2.325 -4.816 1.00 0.00 C ATOM 783 C PHE A 51 8.080 2.119 -6.171 1.00 0.00 C ATOM 784 O PHE A 51 6.934 2.528 -6.346 1.00 0.00 O ATOM 785 CB PHE A 51 9.442 3.693 -4.659 1.00 0.00 C ATOM 786 CG PHE A 51 9.980 4.307 -5.922 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.118 3.764 -6.535 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.318 5.407 -6.495 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.577 4.295 -7.748 1.00 0.00 C ATOM 790 CE2 PHE A 51 9.789 5.954 -7.697 1.00 0.00 C ATOM 791 CZ PHE A 51 10.916 5.394 -8.328 1.00 0.00 C ATOM 0 H PHE A 51 10.678 1.473 -4.553 1.00 0.00 H new ATOM 0 HA PHE A 51 7.976 2.317 -4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.722 4.383 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.262 3.593 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.640 2.939 -6.074 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.450 5.829 -6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.437 3.862 -8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.288 6.803 -8.138 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.274 5.808 -9.259 1.00 0.00 H new ATOM 801 N GLU A 52 8.693 1.348 -7.070 1.00 0.00 N ATOM 802 CA GLU A 52 8.046 0.852 -8.276 1.00 0.00 C ATOM 803 C GLU A 52 6.696 0.181 -7.989 1.00 0.00 C ATOM 804 O GLU A 52 5.787 0.312 -8.806 1.00 0.00 O ATOM 805 CB GLU A 52 8.994 -0.118 -8.987 1.00 0.00 C ATOM 806 CG GLU A 52 9.936 0.611 -9.962 1.00 0.00 C ATOM 807 CD GLU A 52 9.268 0.770 -11.330 1.00 0.00 C ATOM 808 OE1 GLU A 52 8.942 -0.271 -11.946 1.00 0.00 O ATOM 809 OE2 GLU A 52 8.972 1.916 -11.735 1.00 0.00 O ATOM 0 H GLU A 52 9.664 1.049 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 52 7.831 1.705 -8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.585 -0.657 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.412 -0.861 -9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.197 1.591 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.865 0.051 -10.067 1.00 0.00 H new ATOM 816 N LYS A 53 6.522 -0.494 -6.844 1.00 0.00 N ATOM 817 CA LYS A 53 5.225 -1.063 -6.481 1.00 0.00 C ATOM 818 C LYS A 53 4.270 0.039 -6.017 1.00 0.00 C ATOM 819 O LYS A 53 3.098 0.022 -6.388 1.00 0.00 O ATOM 820 CB LYS A 53 5.340 -2.159 -5.401 1.00 0.00 C ATOM 821 CG LYS A 53 6.560 -3.078 -5.493 1.00 0.00 C ATOM 822 CD LYS A 53 6.439 -4.362 -4.666 1.00 0.00 C ATOM 823 CE LYS A 53 7.850 -4.955 -4.614 1.00 0.00 C ATOM 824 NZ LYS A 53 7.937 -6.170 -3.783 1.00 0.00 N ATOM 0 H LYS A 53 7.261 -0.656 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 53 4.824 -1.537 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.349 -1.676 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.443 -2.777 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.723 -3.345 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.442 -2.528 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.067 -4.149 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.738 -5.059 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.176 -5.191 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.538 -4.205 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.830 -6.664 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.905 -5.906 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.137 -6.798 -4.001 1.00 0.00 H new ATOM 838 N MET A 54 4.714 0.980 -5.170 1.00 0.00 N ATOM 839 CA MET A 54 3.799 1.967 -4.582 1.00 0.00 C ATOM 840 C MET A 54 3.238 2.909 -5.642 1.00 0.00 C ATOM 841 O MET A 54 2.055 3.256 -5.612 1.00 0.00 O ATOM 842 CB MET A 54 4.421 2.750 -3.417 1.00 0.00 C ATOM 843 CG MET A 54 5.411 3.865 -3.776 1.00 0.00 C ATOM 844 SD MET A 54 6.156 4.685 -2.345 1.00 0.00 S ATOM 845 CE MET A 54 7.266 3.425 -1.683 1.00 0.00 C ATOM 0 H MET A 54 5.687 1.077 -4.881 1.00 0.00 H new ATOM 0 HA MET A 54 2.972 1.396 -4.160 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.612 3.190 -2.835 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.932 2.040 -2.767 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.205 3.446 -4.394 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.896 4.611 -4.381 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.444 3.616 -0.625 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.812 2.441 -1.803 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.213 3.455 -2.221 1.00 0.00 H new ATOM 855 N VAL A 55 4.059 3.275 -6.623 1.00 0.00 N ATOM 856 CA VAL A 55 3.667 4.114 -7.747 1.00 0.00 C ATOM 857 C VAL A 55 2.661 3.368 -8.658 1.00 0.00 C ATOM 858 O VAL A 55 2.011 3.958 -9.518 1.00 0.00 O ATOM 859 CB VAL A 55 4.954 4.611 -8.430 1.00 0.00 C ATOM 860 CG1 VAL A 55 4.669 5.474 -9.663 1.00 0.00 C ATOM 861 CG2 VAL A 55 5.772 5.460 -7.442 1.00 0.00 C ATOM 0 H VAL A 55 5.037 2.989 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 55 3.117 5.001 -7.433 1.00 0.00 H new ATOM 0 HB VAL A 55 5.503 3.724 -8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.611 5.798 -10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.106 4.892 -10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.087 6.348 -9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.682 5.810 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.180 6.317 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.035 4.856 -6.574 1.00 0.00 H new ATOM 871 N SER A 56 2.416 2.085 -8.408 1.00 0.00 N ATOM 872 CA SER A 56 1.410 1.270 -9.077 1.00 0.00 C ATOM 873 C SER A 56 0.195 0.967 -8.188 1.00 0.00 C ATOM 874 O SER A 56 -0.653 0.166 -8.591 1.00 0.00 O ATOM 875 CB SER A 56 2.069 -0.003 -9.612 1.00 0.00 C ATOM 876 OG SER A 56 2.788 0.307 -10.791 1.00 0.00 O ATOM 0 H SER A 56 2.937 1.563 -7.703 1.00 0.00 H new ATOM 0 HA SER A 56 1.009 1.842 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.740 -0.423 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.312 -0.759 -9.821 1.00 0.00 H new ATOM 0 HG SER A 56 3.214 -0.505 -11.137 1.00 0.00 H new ATOM 882 N LEU A 57 0.031 1.625 -7.025 1.00 0.00 N ATOM 883 CA LEU A 57 -1.215 1.566 -6.276 1.00 0.00 C ATOM 884 C LEU A 57 -1.925 2.910 -6.278 1.00 0.00 C ATOM 885 O LEU A 57 -3.130 2.981 -6.458 1.00 0.00 O ATOM 886 CB LEU A 57 -1.113 0.967 -4.890 1.00 0.00 C ATOM 887 CG LEU A 57 -0.166 1.583 -3.874 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.452 3.020 -3.397 1.00 0.00 C ATOM 889 CD2 LEU A 57 -0.185 0.642 -2.671 1.00 0.00 C ATOM 0 H LEU A 57 0.753 2.201 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.833 0.850 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.112 0.981 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.830 -0.079 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 57 0.796 1.687 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.307 3.322 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.431 3.698 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.435 3.059 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.479 1.027 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.199 0.574 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.152 -0.348 -2.978 1.00 0.00 H new ATOM 901 N LEU A 58 -1.227 4.026 -6.137 1.00 0.00 N ATOM 902 CA LEU A 58 -1.919 5.298 -5.965 1.00 0.00 C ATOM 903 C LEU A 58 -2.841 5.598 -7.156 1.00 0.00 C ATOM 904 O LEU A 58 -3.932 6.121 -6.973 1.00 0.00 O ATOM 905 CB LEU A 58 -0.907 6.413 -5.686 1.00 0.00 C ATOM 906 CG LEU A 58 -0.124 6.870 -6.923 1.00 0.00 C ATOM 907 CD1 LEU A 58 0.908 7.932 -6.565 1.00 0.00 C ATOM 908 CD2 LEU A 58 0.650 5.755 -7.582 1.00 0.00 C ATOM 0 H LEU A 58 -0.208 4.081 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.573 5.235 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.433 7.270 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.202 6.069 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.887 7.251 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.446 8.234 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.405 8.798 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.613 7.525 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.181 6.145 -8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.367 5.341 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.039 4.972 -7.900 1.00 0.00 H new ATOM 920 N SER A 59 -2.448 5.153 -8.349 1.00 0.00 N ATOM 921 CA SER A 59 -3.123 5.354 -9.601 1.00 0.00 C ATOM 922 C SER A 59 -4.293 4.370 -9.685 1.00 0.00 C ATOM 923 O SER A 59 -5.340 4.718 -10.235 1.00 0.00 O ATOM 924 CB SER A 59 -2.090 5.141 -10.726 1.00 0.00 C ATOM 925 OG SER A 59 -2.523 5.674 -11.958 1.00 0.00 O ATOM 0 H SER A 59 -1.592 4.609 -8.458 1.00 0.00 H new ATOM 0 HA SER A 59 -3.533 6.359 -9.696 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.146 5.607 -10.443 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.897 4.075 -10.842 1.00 0.00 H new ATOM 0 HG SER A 59 -1.838 5.518 -12.641 1.00 0.00 H new ATOM 931 N VAL A 60 -4.147 3.151 -9.142 1.00 0.00 N ATOM 932 CA VAL A 60 -5.214 2.163 -9.164 1.00 0.00 C ATOM 933 C VAL A 60 -6.333 2.596 -8.210 1.00 0.00 C ATOM 934 O VAL A 60 -7.505 2.573 -8.593 1.00 0.00 O ATOM 935 CB VAL A 60 -4.683 0.713 -8.976 1.00 0.00 C ATOM 936 CG1 VAL A 60 -4.309 0.224 -7.564 1.00 0.00 C ATOM 937 CG2 VAL A 60 -5.720 -0.276 -9.521 1.00 0.00 C ATOM 0 H VAL A 60 -3.293 2.834 -8.683 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.665 2.124 -10.156 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.736 0.750 -9.514 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.959 -0.807 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.519 0.856 -7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.185 0.277 -6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.354 -1.295 -9.392 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.658 -0.156 -8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.887 -0.081 -10.580 1.00 0.00 H new ATOM 947 N LEU A 61 -5.993 3.061 -6.998 1.00 0.00 N ATOM 948 CA LEU A 61 -7.001 3.500 -6.043 1.00 0.00 C ATOM 949 C LEU A 61 -7.673 4.754 -6.563 1.00 0.00 C ATOM 950 O LEU A 61 -8.888 4.776 -6.705 1.00 0.00 O ATOM 951 CB LEU A 61 -6.440 3.771 -4.636 1.00 0.00 C ATOM 952 CG LEU A 61 -6.009 2.555 -3.790 1.00 0.00 C ATOM 953 CD1 LEU A 61 -6.688 1.237 -4.163 1.00 0.00 C ATOM 954 CD2 LEU A 61 -4.514 2.294 -3.889 1.00 0.00 C ATOM 0 H LEU A 61 -5.032 3.139 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.715 2.682 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.578 4.430 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.195 4.320 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.314 2.843 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.321 0.442 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.767 1.336 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.461 0.992 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.254 1.429 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.247 2.098 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.968 3.167 -3.533 1.00 0.00 H new ATOM 966 N LEU A 62 -6.920 5.815 -6.852 1.00 0.00 N ATOM 967 CA LEU A 62 -7.522 7.113 -7.157 1.00 0.00 C ATOM 968 C LEU A 62 -8.348 7.085 -8.437 1.00 0.00 C ATOM 969 O LEU A 62 -9.195 7.962 -8.611 1.00 0.00 O ATOM 970 CB LEU A 62 -6.426 8.183 -7.290 1.00 0.00 C ATOM 971 CG LEU A 62 -6.149 8.930 -5.974 1.00 0.00 C ATOM 972 CD1 LEU A 62 -5.868 7.980 -4.800 1.00 0.00 C ATOM 973 CD2 LEU A 62 -4.955 9.869 -6.155 1.00 0.00 C ATOM 0 H LEU A 62 -5.900 5.803 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.191 7.354 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.506 7.711 -7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.720 8.902 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.050 9.494 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.680 8.562 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.731 7.333 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.994 7.370 -5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.762 10.396 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.075 9.289 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.176 10.592 -6.940 1.00 0.00 H new ATOM 985 N SER A 63 -8.135 6.089 -9.294 1.00 0.00 N ATOM 986 CA SER A 63 -8.985 5.861 -10.449 1.00 0.00 C ATOM 987 C SER A 63 -10.350 5.350 -9.974 1.00 0.00 C ATOM 988 O SER A 63 -11.384 5.846 -10.421 1.00 0.00 O ATOM 989 CB SER A 63 -8.251 4.883 -11.368 1.00 0.00 C ATOM 990 OG SER A 63 -9.014 4.456 -12.477 1.00 0.00 O ATOM 0 H SER A 63 -7.369 5.422 -9.203 1.00 0.00 H new ATOM 0 HA SER A 63 -9.180 6.773 -11.013 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.337 5.355 -11.729 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.951 4.010 -10.788 1.00 0.00 H new ATOM 0 HG SER A 63 -8.483 3.836 -13.020 1.00 0.00 H new ATOM 996 N MET A 64 -10.362 4.376 -9.057 1.00 0.00 N ATOM 997 CA MET A 64 -11.591 3.750 -8.594 1.00 0.00 C ATOM 998 C MET A 64 -12.335 4.610 -7.564 1.00 0.00 C ATOM 999 O MET A 64 -13.558 4.471 -7.472 1.00 0.00 O ATOM 1000 CB MET A 64 -11.307 2.318 -8.095 1.00 0.00 C ATOM 1001 CG MET A 64 -11.083 2.125 -6.587 1.00 0.00 C ATOM 1002 SD MET A 64 -12.635 1.654 -5.749 1.00 0.00 S ATOM 1003 CE MET A 64 -12.137 1.335 -4.035 1.00 0.00 C ATOM 0 H MET A 64 -9.518 4.005 -8.620 1.00 0.00 H new ATOM 0 HA MET A 64 -12.272 3.672 -9.441 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.142 1.685 -8.395 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.424 1.949 -8.616 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.329 1.355 -6.424 1.00 0.00 H new ATOM 0 HG3 MET A 64 -10.696 3.047 -6.152 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.684 0.474 -3.651 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.067 1.130 -3.999 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.360 2.209 -3.423 1.00 0.00 H new ATOM 1013 N GLN A 65 -11.630 5.454 -6.785 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.173 6.084 -5.577 1.00 0.00 C ATOM 1015 C GLN A 65 -11.757 7.529 -5.283 1.00 0.00 C ATOM 1016 O GLN A 65 -12.410 8.157 -4.451 1.00 0.00 O ATOM 1017 CB GLN A 65 -11.865 5.201 -4.357 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.431 5.234 -3.788 1.00 0.00 C ATOM 1019 CD GLN A 65 -10.094 3.938 -3.056 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -9.562 3.017 -3.657 1.00 0.00 O ATOM 1021 NE2 GLN A 65 -10.432 3.780 -1.782 1.00 0.00 N ATOM 0 H GLN A 65 -10.664 5.716 -6.982 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.241 6.161 -5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.549 5.485 -3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.096 4.170 -4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.720 5.392 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.328 6.077 -3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.877 4.544 -1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.247 2.894 -1.311 1.00 0.00 H new ATOM 1030 N GLY A 66 -10.716 8.068 -5.917 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.312 9.464 -5.752 1.00 0.00 C ATOM 1032 C GLY A 66 -9.983 9.864 -4.309 1.00 0.00 C ATOM 1033 O GLY A 66 -10.557 10.822 -3.791 1.00 0.00 O ATOM 0 H GLY A 66 -10.126 7.545 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.438 9.652 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.112 10.107 -6.121 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.067 9.142 -3.660 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.595 9.449 -2.309 1.00 0.00 C ATOM 1039 C ALA A 67 -7.620 10.634 -2.297 1.00 0.00 C ATOM 1040 O ALA A 67 -7.051 10.964 -3.340 1.00 0.00 O ATOM 1041 CB ALA A 67 -7.883 8.215 -1.761 1.00 0.00 C ATOM 0 H ALA A 67 -8.626 8.316 -4.064 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.454 9.720 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.522 8.421 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.578 7.376 -1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.039 7.966 -2.405 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.347 11.205 -1.120 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.462 12.361 -0.949 1.00 0.00 C ATOM 1049 C VAL A 68 -5.119 11.972 -0.310 1.00 0.00 C ATOM 1050 O VAL A 68 -4.073 12.191 -0.916 1.00 0.00 O ATOM 1051 CB VAL A 68 -7.195 13.518 -0.228 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -8.078 14.288 -1.221 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -8.081 13.107 0.953 1.00 0.00 C ATOM 0 H VAL A 68 -7.743 10.870 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.199 12.741 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.388 14.129 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.588 15.099 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.457 14.700 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.817 13.612 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.546 13.993 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.856 12.423 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.472 12.612 1.710 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.120 11.342 0.868 1.00 0.00 N ATOM 1064 CA ASP A 69 -3.973 10.952 1.720 1.00 0.00 C ATOM 1065 C ASP A 69 -3.048 9.887 1.082 1.00 0.00 C ATOM 1066 O ASP A 69 -2.232 9.277 1.774 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.533 10.493 3.086 1.00 0.00 C ATOM 1068 CG ASP A 69 -5.089 11.632 3.949 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -6.261 12.007 3.723 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -4.389 12.148 4.853 1.00 0.00 O ATOM 0 H ASP A 69 -6.002 11.062 1.297 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.325 11.819 1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.323 9.762 2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.743 9.985 3.639 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.108 9.640 -0.233 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.462 8.478 -0.849 1.00 0.00 C ATOM 1077 C ILE A 70 -0.945 8.632 -0.928 1.00 0.00 C ATOM 1078 O ILE A 70 -0.233 7.657 -1.170 1.00 0.00 O ATOM 1079 CB ILE A 70 -3.112 8.147 -2.216 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.960 6.664 -2.618 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.552 8.998 -3.376 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.791 5.698 -1.770 1.00 0.00 C ATOM 0 H ILE A 70 -3.603 10.237 -0.895 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.630 7.619 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.165 8.381 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.246 6.551 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.909 6.384 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.048 8.718 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.732 10.054 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.480 8.824 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.628 4.677 -2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.490 5.779 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.848 5.948 -1.863 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.432 9.849 -0.756 1.00 0.00 N ATOM 1095 CA ASN A 71 1.002 10.092 -0.750 1.00 0.00 C ATOM 1096 C ASN A 71 1.566 9.901 0.651 1.00 0.00 C ATOM 1097 O ASN A 71 2.771 9.714 0.774 1.00 0.00 O ATOM 1098 CB ASN A 71 1.305 11.489 -1.305 1.00 0.00 C ATOM 1099 CG ASN A 71 1.262 11.502 -2.826 1.00 0.00 C ATOM 1100 OD1 ASN A 71 2.288 11.538 -3.499 1.00 0.00 O ATOM 1101 ND2 ASN A 71 0.076 11.433 -3.410 1.00 0.00 N ATOM 0 H ASN A 71 -0.998 10.687 -0.618 1.00 0.00 H new ATOM 0 HA ASN A 71 1.492 9.367 -1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.581 12.203 -0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.289 11.812 -0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.009 11.409 -4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.771 11.403 -2.842 1.00 0.00 H new ATOM 1108 N ARG A 72 0.727 9.894 1.701 1.00 0.00 N ATOM 1109 CA ARG A 72 1.223 9.748 3.070 1.00 0.00 C ATOM 1110 C ARG A 72 1.969 8.427 3.212 1.00 0.00 C ATOM 1111 O ARG A 72 3.129 8.423 3.613 1.00 0.00 O ATOM 1112 CB ARG A 72 0.106 9.870 4.126 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.194 11.318 4.518 1.00 0.00 C ATOM 1114 CD ARG A 72 -1.188 11.958 3.552 1.00 0.00 C ATOM 1115 NE ARG A 72 -1.086 13.421 3.519 1.00 0.00 N ATOM 1116 CZ ARG A 72 -0.186 14.108 2.809 1.00 0.00 C ATOM 1117 NH1 ARG A 72 0.756 13.475 2.112 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -0.229 15.432 2.787 1.00 0.00 N ATOM 0 H ARG A 72 -0.286 9.987 1.625 1.00 0.00 H new ATOM 0 HA ARG A 72 1.911 10.573 3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.803 9.409 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.393 9.311 5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.597 11.347 5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.731 11.894 4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.019 11.564 2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.201 11.675 3.839 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.751 13.953 4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.796 12.456 2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.438 14.009 1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.949 15.928 3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.458 15.956 2.245 1.00 0.00 H new ATOM 1132 N LEU A 73 1.319 7.317 2.844 1.00 0.00 N ATOM 1133 CA LEU A 73 1.935 5.997 2.946 1.00 0.00 C ATOM 1134 C LEU A 73 3.244 5.942 2.178 1.00 0.00 C ATOM 1135 O LEU A 73 4.204 5.401 2.708 1.00 0.00 O ATOM 1136 CB LEU A 73 0.999 4.848 2.532 1.00 0.00 C ATOM 1137 CG LEU A 73 0.254 5.014 1.188 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.237 3.725 0.351 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -1.186 5.465 1.446 1.00 0.00 C ATOM 0 H LEU A 73 0.368 7.310 2.474 1.00 0.00 H new ATOM 0 HA LEU A 73 2.146 5.845 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.585 3.930 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.257 4.713 3.319 1.00 0.00 H new ATOM 0 HG LEU A 73 0.797 5.767 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.300 3.903 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.260 3.422 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.261 2.934 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.707 5.581 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.698 4.718 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.180 6.418 1.974 1.00 0.00 H new ATOM 1151 N CYS A 74 3.296 6.502 0.968 1.00 0.00 N ATOM 1152 CA CYS A 74 4.479 6.463 0.125 1.00 0.00 C ATOM 1153 C CYS A 74 5.668 7.091 0.833 1.00 0.00 C ATOM 1154 O CYS A 74 6.691 6.429 0.986 1.00 0.00 O ATOM 1155 CB CYS A 74 4.183 7.126 -1.222 1.00 0.00 C ATOM 1156 SG CYS A 74 2.877 6.153 -2.029 1.00 0.00 S ATOM 0 H CYS A 74 2.510 6.997 0.548 1.00 0.00 H new ATOM 0 HA CYS A 74 4.747 5.425 -0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.861 8.158 -1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.079 7.154 -1.841 1.00 0.00 H new ATOM 0 HG CYS A 74 1.716 6.663 -1.743 1.00 0.00 H new ATOM 1162 N GLU A 75 5.523 8.330 1.300 1.00 0.00 N ATOM 1163 CA GLU A 75 6.629 9.051 1.920 1.00 0.00 C ATOM 1164 C GLU A 75 6.945 8.515 3.328 1.00 0.00 C ATOM 1165 O GLU A 75 7.950 8.902 3.921 1.00 0.00 O ATOM 1166 CB GLU A 75 6.336 10.565 1.909 1.00 0.00 C ATOM 1167 CG GLU A 75 6.012 11.064 0.487 1.00 0.00 C ATOM 1168 CD GLU A 75 6.434 12.510 0.223 1.00 0.00 C ATOM 1169 OE1 GLU A 75 5.731 13.454 0.642 1.00 0.00 O ATOM 1170 OE2 GLU A 75 7.438 12.725 -0.499 1.00 0.00 O ATOM 0 H GLU A 75 4.649 8.854 1.260 1.00 0.00 H new ATOM 0 HA GLU A 75 7.532 8.882 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.498 10.780 2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.198 11.107 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.506 10.415 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.939 10.973 0.317 1.00 0.00 H new ATOM 1177 N GLU A 76 6.131 7.603 3.873 1.00 0.00 N ATOM 1178 CA GLU A 76 6.502 6.827 5.049 1.00 0.00 C ATOM 1179 C GLU A 76 7.346 5.627 4.614 1.00 0.00 C ATOM 1180 O GLU A 76 8.532 5.539 4.932 1.00 0.00 O ATOM 1181 CB GLU A 76 5.261 6.435 5.867 1.00 0.00 C ATOM 1182 CG GLU A 76 5.683 5.855 7.226 1.00 0.00 C ATOM 1183 CD GLU A 76 4.548 5.800 8.252 1.00 0.00 C ATOM 1184 OE1 GLU A 76 3.987 6.866 8.613 1.00 0.00 O ATOM 1185 OE2 GLU A 76 4.287 4.705 8.801 1.00 0.00 O ATOM 0 H GLU A 76 5.203 7.387 3.509 1.00 0.00 H new ATOM 0 HA GLU A 76 7.113 7.433 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.625 7.307 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.671 5.701 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.074 4.849 7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.497 6.456 7.630 1.00 0.00 H new ATOM 1192 N MET A 77 6.753 4.691 3.876 1.00 0.00 N ATOM 1193 CA MET A 77 7.374 3.404 3.595 1.00 0.00 C ATOM 1194 C MET A 77 8.591 3.516 2.670 1.00 0.00 C ATOM 1195 O MET A 77 9.476 2.671 2.759 1.00 0.00 O ATOM 1196 CB MET A 77 6.316 2.408 3.100 1.00 0.00 C ATOM 1197 CG MET A 77 5.679 2.792 1.764 1.00 0.00 C ATOM 1198 SD MET A 77 4.040 2.059 1.506 1.00 0.00 S ATOM 1199 CE MET A 77 3.649 2.812 -0.081 1.00 0.00 C ATOM 0 H MET A 77 5.830 4.806 3.458 1.00 0.00 H new ATOM 0 HA MET A 77 7.783 3.013 4.527 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.775 1.424 3.003 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.533 2.321 3.853 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.595 3.877 1.709 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.339 2.482 0.954 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.906 2.205 -0.598 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.251 3.814 0.080 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.553 2.874 -0.687 1.00 0.00 H new ATOM 1209 N LEU A 78 8.698 4.550 1.827 1.00 0.00 N ATOM 1210 CA LEU A 78 9.893 4.804 1.015 1.00 0.00 C ATOM 1211 C LEU A 78 11.062 5.240 1.900 1.00 0.00 C ATOM 1212 O LEU A 78 12.185 4.771 1.734 1.00 0.00 O ATOM 1213 CB LEU A 78 9.572 5.879 -0.041 1.00 0.00 C ATOM 1214 CG LEU A 78 10.678 6.176 -1.075 1.00 0.00 C ATOM 1215 CD1 LEU A 78 11.267 4.900 -1.685 1.00 0.00 C ATOM 1216 CD2 LEU A 78 10.060 7.033 -2.193 1.00 0.00 C ATOM 0 H LEU A 78 7.956 5.236 1.689 1.00 0.00 H new ATOM 0 HA LEU A 78 10.187 3.885 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.675 5.573 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.331 6.807 0.478 1.00 0.00 H new ATOM 0 HG LEU A 78 11.493 6.696 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.041 5.165 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.701 4.286 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.479 4.340 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.820 7.259 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.242 6.485 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.679 7.963 -1.770 1.00 0.00 H new ATOM 1228 N ASP A 79 10.799 6.094 2.883 1.00 0.00 N ATOM 1229 CA ASP A 79 11.811 6.618 3.800 1.00 0.00 C ATOM 1230 C ASP A 79 12.277 5.533 4.774 1.00 0.00 C ATOM 1231 O ASP A 79 13.445 5.475 5.163 1.00 0.00 O ATOM 1232 CB ASP A 79 11.201 7.822 4.530 1.00 0.00 C ATOM 1233 CG ASP A 79 12.184 8.841 5.109 1.00 0.00 C ATOM 1234 OD1 ASP A 79 13.403 8.800 4.813 1.00 0.00 O ATOM 1235 OD2 ASP A 79 11.717 9.780 5.795 1.00 0.00 O ATOM 0 H ASP A 79 9.861 6.449 3.070 1.00 0.00 H new ATOM 0 HA ASP A 79 12.698 6.937 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.540 8.342 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.579 7.448 5.343 1.00 0.00 H new ATOM 1240 N ASN A 80 11.394 4.570 5.071 1.00 0.00 N ATOM 1241 CA ASN A 80 11.700 3.451 5.964 1.00 0.00 C ATOM 1242 C ASN A 80 12.447 2.371 5.192 1.00 0.00 C ATOM 1243 O ASN A 80 12.979 1.430 5.767 1.00 0.00 O ATOM 1244 CB ASN A 80 10.417 2.874 6.580 1.00 0.00 C ATOM 1245 CG ASN A 80 9.975 3.696 7.791 1.00 0.00 C ATOM 1246 OD1 ASN A 80 10.232 3.347 8.941 1.00 0.00 O ATOM 1247 ND2 ASN A 80 9.346 4.836 7.570 1.00 0.00 N ATOM 0 H ASN A 80 10.446 4.548 4.696 1.00 0.00 H new ATOM 0 HA ASN A 80 12.329 3.815 6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.623 2.864 5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.586 1.840 6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.073 5.428 8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.133 5.124 6.615 1.00 0.00 H new ATOM 1254 N ARG A 81 12.488 2.489 3.870 1.00 0.00 N ATOM 1255 CA ARG A 81 13.294 1.718 2.980 1.00 0.00 C ATOM 1256 C ARG A 81 14.678 2.332 2.925 1.00 0.00 C ATOM 1257 O ARG A 81 15.655 1.606 3.096 1.00 0.00 O ATOM 1258 CB ARG A 81 12.561 1.790 1.638 1.00 0.00 C ATOM 1259 CG ARG A 81 12.225 0.404 1.160 1.00 0.00 C ATOM 1260 CD ARG A 81 13.393 -0.045 0.293 1.00 0.00 C ATOM 1261 NE ARG A 81 13.430 -1.498 0.028 1.00 0.00 N ATOM 1262 CZ ARG A 81 13.643 -2.460 0.938 1.00 0.00 C ATOM 1263 NH1 ARG A 81 13.861 -2.152 2.217 1.00 0.00 N ATOM 1264 NH2 ARG A 81 13.665 -3.739 0.589 1.00 0.00 N ATOM 0 H ARG A 81 11.916 3.175 3.377 1.00 0.00 H new ATOM 0 HA ARG A 81 13.430 0.680 3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.649 2.378 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.184 2.297 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.083 -0.274 2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.296 0.404 0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.349 0.485 -0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.324 0.248 0.778 1.00 0.00 H new ATOM 0 HE ARG A 81 13.280 -1.797 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.867 -1.176 2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.022 -2.893 2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.519 -4.004 -0.385 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.828 -4.457 1.294 1.00 0.00 H new ATOM 1278 N ALA A 82 14.756 3.644 2.717 1.00 0.00 N ATOM 1279 CA ALA A 82 16.001 4.353 2.477 1.00 0.00 C ATOM 1280 C ALA A 82 16.929 4.283 3.692 1.00 0.00 C ATOM 1281 O ALA A 82 18.138 4.163 3.538 1.00 0.00 O ATOM 1282 CB ALA A 82 15.649 5.789 2.097 1.00 0.00 C ATOM 0 H ALA A 82 13.937 4.252 2.711 1.00 0.00 H new ATOM 0 HA ALA A 82 16.553 3.886 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.564 6.351 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.034 5.787 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.097 6.256 2.913 1.00 0.00 H new ATOM 1288 N THR A 83 16.370 4.266 4.900 1.00 0.00 N ATOM 1289 CA THR A 83 17.096 4.091 6.154 1.00 0.00 C ATOM 1290 C THR A 83 17.826 2.733 6.206 1.00 0.00 C ATOM 1291 O THR A 83 18.756 2.571 6.998 1.00 0.00 O ATOM 1292 CB THR A 83 16.100 4.330 7.308 1.00 0.00 C ATOM 1293 OG1 THR A 83 16.706 4.648 8.539 1.00 0.00 O ATOM 1294 CG2 THR A 83 15.203 3.126 7.543 1.00 0.00 C ATOM 0 H THR A 83 15.365 4.377 5.036 1.00 0.00 H new ATOM 0 HA THR A 83 17.902 4.819 6.247 1.00 0.00 H new ATOM 0 HB THR A 83 15.521 5.191 6.973 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.013 4.786 9.218 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.518 3.338 8.364 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.632 2.916 6.639 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.815 2.260 7.795 1.00 0.00 H new ATOM 1302 N LEU A 84 17.433 1.766 5.358 1.00 0.00 N ATOM 1303 CA LEU A 84 18.000 0.421 5.292 1.00 0.00 C ATOM 1304 C LEU A 84 19.064 0.262 4.215 1.00 0.00 C ATOM 1305 O LEU A 84 19.599 -0.837 4.041 1.00 0.00 O ATOM 1306 CB LEU A 84 16.913 -0.663 5.121 1.00 0.00 C ATOM 1307 CG LEU A 84 15.812 -0.655 6.191 1.00 0.00 C ATOM 1308 CD1 LEU A 84 14.604 -1.461 5.706 1.00 0.00 C ATOM 1309 CD2 LEU A 84 16.309 -1.235 7.511 1.00 0.00 C ATOM 0 H LEU A 84 16.686 1.912 4.679 1.00 0.00 H new ATOM 0 HA LEU A 84 18.490 0.279 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.448 -0.539 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.394 -1.641 5.124 1.00 0.00 H new ATOM 0 HG LEU A 84 15.523 0.382 6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.828 -1.450 6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.215 -1.018 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.907 -2.490 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.503 -1.213 8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.632 -2.265 7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.148 -0.642 7.876 1.00 0.00 H new ATOM 1321 N GLN A 85 19.375 1.327 3.489 1.00 0.00 N ATOM 1322 CA GLN A 85 20.378 1.317 2.440 1.00 0.00 C ATOM 1323 C GLN A 85 21.093 2.644 2.255 1.00 0.00 C ATOM 1324 O GLN A 85 20.642 3.491 1.462 1.00 0.00 O ATOM 1325 CB GLN A 85 19.784 0.731 1.164 1.00 0.00 C ATOM 1326 CG GLN A 85 18.370 1.140 0.723 1.00 0.00 C ATOM 1327 CD GLN A 85 17.519 -0.119 0.527 1.00 0.00 C ATOM 1328 OE1 GLN A 85 17.689 -0.886 -0.424 1.00 0.00 O ATOM 1329 NE2 GLN A 85 16.651 -0.436 1.465 1.00 0.00 N ATOM 0 H GLN A 85 18.929 2.235 3.617 1.00 0.00 H new ATOM 0 HA GLN A 85 21.188 0.658 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.463 0.975 0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 85 19.791 -0.354 1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.915 1.788 1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 85 18.416 1.710 -0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.503 0.191 2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 85 16.127 -1.309 1.401 1.00 0.00 H new TER 1338 GLN A 85