USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 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 NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 98 TYR OH : rot -40:sc= -4.85! USER MOD Set 1.2: A 100 MET CE :methyl -171:sc= -1.79 (180deg=-1.22) USER MOD Set 2.1: A 72 SER OG : rot -133:sc= 0.375 USER MOD Set 2.2: A 94 TYR OH : rot 154:sc= 1.13 USER MOD Set 3.1: A 85 SER OG : rot 180:sc=-0.00955 USER MOD Set 3.2: A 87 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.075!) USER MOD Set 4.1: A 38 ASN : amide:sc= -2.54 K(o=-5.4,f=-2.8!) USER MOD Set 4.2: A 61 ASN : amide:sc= -2.82 K(o=-5.4,f=-0.92) USER MOD Set 5.1: A 42 TYR OH : rot -50:sc= -3.66! USER MOD Set 5.2: A 50 THR OG1 : rot -60:sc= -0.0465 USER MOD Single : A 1 MET CE :methyl 163:sc= 0 (180deg=-0.275) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.512 X(o=-0.51,f=-0.28) USER MOD Single : A 8 SER OG : rot -101:sc= -2.89! USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 170:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 170:sc= 0 (180deg=-0.0643) USER MOD Single : A 22 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.5) USER MOD Single : A 32 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.7) USER MOD Single : A 41 GLN : amide:sc= -12.1! C(o=-12!,f=-11!) USER MOD Single : A 43 ASN : amide:sc= -8.7! C(o=-8.7!,f=-13!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 169:sc= -0.0821 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.202 K(o=-0.2,f=-4!) USER MOD Single : A 90 THR OG1 : rot 170:sc= -0.211 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.61! USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -96:sc= -0.031 (180deg=-1.48!) USER MOD Single : A 108 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-5.5!) USER MOD Single : A 109 MET CE :methyl 157:sc= -0.849 (180deg=-2.57) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 150:sc= -0.028 (180deg=-1.33!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -2.09! USER MOD Single : A 123 LYS NZ :NH3+ -144:sc= -0.677 (180deg=-2.56!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.135 2.159 10.442 1.00 0.00 N ATOM 2 CA MET A 1 15.437 2.806 11.749 1.00 0.00 C ATOM 3 C MET A 1 14.957 4.259 11.718 1.00 0.00 C ATOM 4 O MET A 1 15.745 5.182 11.658 1.00 0.00 O ATOM 5 CB MET A 1 16.947 2.771 12.001 1.00 0.00 C ATOM 6 CG MET A 1 17.254 3.431 13.347 1.00 0.00 C ATOM 7 SD MET A 1 18.427 2.407 14.270 1.00 0.00 S ATOM 8 CE MET A 1 19.822 2.582 13.132 1.00 0.00 C ATOM 0 H1 MET A 1 15.460 1.171 10.460 1.00 0.00 H new ATOM 0 H2 MET A 1 14.109 2.183 10.272 1.00 0.00 H new ATOM 0 H3 MET A 1 15.624 2.671 9.680 1.00 0.00 H new ATOM 0 HA MET A 1 14.925 2.270 12.548 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.303 1.741 11.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.472 3.291 11.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.670 4.426 13.189 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.335 3.556 13.920 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.742 2.288 13.637 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.665 1.944 12.263 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.901 3.620 12.810 1.00 0.00 H new ATOM 20 N GLU A 2 13.668 4.470 11.758 1.00 0.00 N ATOM 21 CA GLU A 2 13.139 5.863 11.733 1.00 0.00 C ATOM 22 C GLU A 2 13.688 6.596 10.506 1.00 0.00 C ATOM 23 O GLU A 2 14.004 7.768 10.564 1.00 0.00 O ATOM 24 CB GLU A 2 13.580 6.596 13.001 1.00 0.00 C ATOM 25 CG GLU A 2 12.774 7.888 13.155 1.00 0.00 C ATOM 26 CD GLU A 2 13.550 8.874 14.031 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.719 9.090 13.754 1.00 0.00 O ATOM 28 OE2 GLU A 2 12.963 9.395 14.965 1.00 0.00 O ATOM 0 H GLU A 2 12.960 3.738 11.807 1.00 0.00 H new ATOM 0 HA GLU A 2 12.050 5.838 11.685 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.432 5.958 13.872 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.645 6.824 12.950 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.582 8.328 12.176 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.804 7.673 13.603 1.00 0.00 H new ATOM 35 N HIS A 3 13.811 5.918 9.397 1.00 0.00 N ATOM 36 CA HIS A 3 14.348 6.583 8.176 1.00 0.00 C ATOM 37 C HIS A 3 13.328 6.503 7.036 1.00 0.00 C ATOM 38 O HIS A 3 13.323 7.327 6.142 1.00 0.00 O ATOM 39 CB HIS A 3 15.645 5.893 7.749 1.00 0.00 C ATOM 40 CG HIS A 3 16.820 6.626 8.335 1.00 0.00 C ATOM 41 ND1 HIS A 3 18.094 6.083 8.351 1.00 0.00 N ATOM 42 CD2 HIS A 3 16.930 7.859 8.929 1.00 0.00 C ATOM 43 CE1 HIS A 3 18.909 6.979 8.938 1.00 0.00 C ATOM 44 NE2 HIS A 3 18.251 8.080 9.309 1.00 0.00 N ATOM 0 H HIS A 3 13.563 4.935 9.284 1.00 0.00 H new ATOM 0 HA HIS A 3 14.545 7.631 8.401 1.00 0.00 H new ATOM 0 HB2 HIS A 3 15.645 4.856 8.085 1.00 0.00 H new ATOM 0 HB3 HIS A 3 15.719 5.876 6.662 1.00 0.00 H new ATOM 0 HD2 HIS A 3 16.115 8.552 9.079 1.00 0.00 H new ATOM 0 HE1 HIS A 3 19.967 6.826 9.090 1.00 0.00 H new ATOM 0 HE2 HIS A 3 18.634 8.905 9.771 1.00 0.00 H new ATOM 52 N VAL A 4 12.467 5.522 7.048 1.00 0.00 N ATOM 53 CA VAL A 4 11.461 5.411 5.954 1.00 0.00 C ATOM 54 C VAL A 4 10.467 4.296 6.270 1.00 0.00 C ATOM 55 O VAL A 4 10.814 3.131 6.291 1.00 0.00 O ATOM 56 CB VAL A 4 12.171 5.086 4.635 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.916 3.755 4.769 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.135 4.969 3.512 1.00 0.00 C ATOM 0 H VAL A 4 12.417 4.797 7.763 1.00 0.00 H new ATOM 0 HA VAL A 4 10.929 6.358 5.866 1.00 0.00 H new ATOM 0 HB VAL A 4 12.879 5.881 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.421 3.524 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.653 3.829 5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.205 2.962 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.640 4.738 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.429 4.173 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.598 5.912 3.412 1.00 0.00 H new ATOM 68 N ALA A 5 9.226 4.632 6.494 1.00 0.00 N ATOM 69 CA ALA A 5 8.221 3.572 6.778 1.00 0.00 C ATOM 70 C ALA A 5 8.697 2.715 7.955 1.00 0.00 C ATOM 71 O ALA A 5 9.622 3.067 8.658 1.00 0.00 O ATOM 72 CB ALA A 5 8.093 2.692 5.532 1.00 0.00 C ATOM 0 H ALA A 5 8.868 5.587 6.493 1.00 0.00 H new ATOM 0 HA ALA A 5 7.260 4.021 7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.361 1.906 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.768 3.301 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.059 2.242 5.304 1.00 0.00 H new ATOM 78 N PHE A 6 8.081 1.581 8.158 1.00 0.00 N ATOM 79 CA PHE A 6 8.512 0.677 9.279 1.00 0.00 C ATOM 80 C PHE A 6 10.018 0.459 9.158 1.00 0.00 C ATOM 81 O PHE A 6 10.790 0.757 10.047 1.00 0.00 O ATOM 82 CB PHE A 6 7.834 -0.705 9.182 1.00 0.00 C ATOM 83 CG PHE A 6 6.523 -0.630 8.435 1.00 0.00 C ATOM 84 CD1 PHE A 6 5.372 -0.197 9.096 1.00 0.00 C ATOM 85 CD2 PHE A 6 6.458 -1.000 7.080 1.00 0.00 C ATOM 86 CE1 PHE A 6 4.158 -0.136 8.411 1.00 0.00 C ATOM 87 CE2 PHE A 6 5.238 -0.938 6.399 1.00 0.00 C ATOM 88 CZ PHE A 6 4.091 -0.509 7.066 1.00 0.00 C ATOM 0 H PHE A 6 7.299 1.237 7.601 1.00 0.00 H new ATOM 0 HA PHE A 6 8.235 1.143 10.225 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.501 -1.404 8.678 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.661 -1.097 10.184 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.421 0.090 10.136 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.348 -1.331 6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 6 3.268 0.200 8.922 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.184 -1.222 5.358 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.148 -0.465 6.541 1.00 0.00 H new ATOM 98 N GLY A 7 10.419 -0.055 8.034 1.00 0.00 N ATOM 99 CA GLY A 7 11.856 -0.313 7.767 1.00 0.00 C ATOM 100 C GLY A 7 12.012 -0.501 6.261 1.00 0.00 C ATOM 101 O GLY A 7 12.819 -1.277 5.791 1.00 0.00 O ATOM 0 H GLY A 7 9.795 -0.313 7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.467 0.520 8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.193 -1.201 8.302 1.00 0.00 H new ATOM 105 N SER A 8 11.206 0.196 5.506 1.00 0.00 N ATOM 106 CA SER A 8 11.245 0.067 4.027 1.00 0.00 C ATOM 107 C SER A 8 12.519 0.709 3.453 1.00 0.00 C ATOM 108 O SER A 8 13.403 1.119 4.178 1.00 0.00 O ATOM 109 CB SER A 8 9.991 0.724 3.448 1.00 0.00 C ATOM 110 OG SER A 8 8.889 0.462 4.306 1.00 0.00 O ATOM 0 H SER A 8 10.514 0.857 5.859 1.00 0.00 H new ATOM 0 HA SER A 8 11.265 -0.987 3.751 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.142 1.799 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.790 0.336 2.449 1.00 0.00 H new ATOM 0 HG SER A 8 8.348 -0.264 3.931 1.00 0.00 H new ATOM 116 N GLU A 9 12.625 0.764 2.148 1.00 0.00 N ATOM 117 CA GLU A 9 13.851 1.343 1.505 1.00 0.00 C ATOM 118 C GLU A 9 13.479 2.528 0.609 1.00 0.00 C ATOM 119 O GLU A 9 13.547 2.425 -0.601 1.00 0.00 O ATOM 120 CB GLU A 9 14.495 0.275 0.618 1.00 0.00 C ATOM 121 CG GLU A 9 15.593 -0.452 1.397 1.00 0.00 C ATOM 122 CD GLU A 9 16.718 -0.855 0.441 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.211 0.011 -0.261 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.065 -2.025 0.425 1.00 0.00 O ATOM 0 H GLU A 9 11.914 0.432 1.496 1.00 0.00 H new ATOM 0 HA GLU A 9 14.532 1.673 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.740 -0.437 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.915 0.736 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.984 0.194 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.183 -1.336 1.885 1.00 0.00 H new ATOM 131 N ASP A 10 13.084 3.649 1.169 1.00 0.00 N ATOM 132 CA ASP A 10 12.704 4.818 0.303 1.00 0.00 C ATOM 133 C ASP A 10 11.746 4.308 -0.774 1.00 0.00 C ATOM 134 O ASP A 10 12.152 3.947 -1.860 1.00 0.00 O ATOM 135 CB ASP A 10 13.957 5.406 -0.353 1.00 0.00 C ATOM 136 CG ASP A 10 13.934 6.933 -0.241 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.308 7.432 0.679 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.546 7.577 -1.078 1.00 0.00 O ATOM 0 H ASP A 10 13.008 3.806 2.174 1.00 0.00 H new ATOM 0 HA ASP A 10 12.228 5.597 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.851 5.010 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.003 5.110 -1.401 1.00 0.00 H new ATOM 143 N ILE A 11 10.491 4.210 -0.457 1.00 0.00 N ATOM 144 CA ILE A 11 9.528 3.652 -1.427 1.00 0.00 C ATOM 145 C ILE A 11 9.017 4.717 -2.368 1.00 0.00 C ATOM 146 O ILE A 11 9.197 4.625 -3.553 1.00 0.00 O ATOM 147 CB ILE A 11 8.350 3.043 -0.686 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.736 2.568 0.720 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.831 1.850 -1.465 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.978 1.684 0.634 1.00 0.00 C ATOM 0 H ILE A 11 10.092 4.495 0.437 1.00 0.00 H new ATOM 0 HA ILE A 11 10.044 2.889 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 11 7.588 3.817 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.930 3.425 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.911 2.013 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.985 1.410 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.511 2.173 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.623 1.108 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.254 1.346 1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.767 0.820 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.801 2.254 0.204 1.00 0.00 H new ATOM 162 N GLU A 12 8.356 5.717 -1.868 1.00 0.00 N ATOM 163 CA GLU A 12 7.806 6.758 -2.781 1.00 0.00 C ATOM 164 C GLU A 12 8.854 7.185 -3.828 1.00 0.00 C ATOM 165 O GLU A 12 8.515 7.642 -4.901 1.00 0.00 O ATOM 166 CB GLU A 12 7.361 7.975 -1.970 1.00 0.00 C ATOM 167 CG GLU A 12 8.493 8.406 -1.036 1.00 0.00 C ATOM 168 CD GLU A 12 8.009 9.545 -0.136 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.133 9.298 0.678 1.00 0.00 O ATOM 170 OE2 GLU A 12 8.522 10.642 -0.276 1.00 0.00 O ATOM 0 H GLU A 12 8.172 5.862 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 12 6.949 6.335 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.095 8.794 -2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.469 7.734 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.818 7.562 -0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.355 8.730 -1.618 1.00 0.00 H new ATOM 177 N ASN A 13 10.120 7.023 -3.531 1.00 0.00 N ATOM 178 CA ASN A 13 11.173 7.401 -4.519 1.00 0.00 C ATOM 179 C ASN A 13 11.344 6.269 -5.541 1.00 0.00 C ATOM 180 O ASN A 13 11.390 6.502 -6.732 1.00 0.00 O ATOM 181 CB ASN A 13 12.497 7.633 -3.790 1.00 0.00 C ATOM 182 CG ASN A 13 13.211 8.841 -4.401 1.00 0.00 C ATOM 183 OD1 ASN A 13 13.640 8.798 -5.537 1.00 0.00 O ATOM 184 ND2 ASN A 13 13.357 9.926 -3.689 1.00 0.00 N ATOM 0 H ASN A 13 10.467 6.646 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 13 10.877 8.315 -5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.315 7.803 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.127 6.747 -3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.831 10.737 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.997 9.962 -2.735 1.00 0.00 H new ATOM 191 N THR A 14 11.425 5.043 -5.087 1.00 0.00 N ATOM 192 CA THR A 14 11.577 3.900 -6.037 1.00 0.00 C ATOM 193 C THR A 14 10.258 3.758 -6.807 1.00 0.00 C ATOM 194 O THR A 14 10.215 3.841 -8.018 1.00 0.00 O ATOM 195 CB THR A 14 11.913 2.616 -5.232 1.00 0.00 C ATOM 196 OG1 THR A 14 13.325 2.506 -5.120 1.00 0.00 O ATOM 197 CG2 THR A 14 11.373 1.359 -5.931 1.00 0.00 C ATOM 0 H THR A 14 11.392 4.785 -4.101 1.00 0.00 H new ATOM 0 HA THR A 14 12.387 4.068 -6.746 1.00 0.00 H new ATOM 0 HB THR A 14 11.446 2.691 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.548 1.796 -4.483 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.625 0.478 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.290 1.433 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.820 1.273 -6.921 1.00 0.00 H new ATOM 205 N LEU A 15 9.195 3.553 -6.082 1.00 0.00 N ATOM 206 CA LEU A 15 7.829 3.411 -6.683 1.00 0.00 C ATOM 207 C LEU A 15 7.655 4.406 -7.838 1.00 0.00 C ATOM 208 O LEU A 15 6.954 4.148 -8.796 1.00 0.00 O ATOM 209 CB LEU A 15 6.765 3.713 -5.613 1.00 0.00 C ATOM 210 CG LEU A 15 6.971 2.830 -4.381 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.071 3.313 -3.241 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.622 1.384 -4.729 1.00 0.00 C ATOM 0 H LEU A 15 9.212 3.475 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 15 7.714 2.393 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.818 4.763 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.770 3.545 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 15 8.013 2.889 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.221 2.681 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.322 4.344 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.028 3.259 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.768 0.753 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.581 1.327 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.267 1.038 -5.536 1.00 0.00 H new ATOM 224 N ALA A 16 8.294 5.544 -7.751 1.00 0.00 N ATOM 225 CA ALA A 16 8.171 6.554 -8.839 1.00 0.00 C ATOM 226 C ALA A 16 8.712 5.965 -10.143 1.00 0.00 C ATOM 227 O ALA A 16 8.001 5.849 -11.122 1.00 0.00 O ATOM 228 CB ALA A 16 8.973 7.804 -8.469 1.00 0.00 C ATOM 0 H ALA A 16 8.895 5.816 -6.973 1.00 0.00 H new ATOM 0 HA ALA A 16 7.123 6.823 -8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.883 8.543 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.586 8.223 -7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.022 7.538 -8.338 1.00 0.00 H new ATOM 234 N LYS A 17 9.960 5.589 -10.165 1.00 0.00 N ATOM 235 CA LYS A 17 10.537 5.003 -11.407 1.00 0.00 C ATOM 236 C LYS A 17 10.530 3.476 -11.295 1.00 0.00 C ATOM 237 O LYS A 17 11.388 2.799 -11.827 1.00 0.00 O ATOM 238 CB LYS A 17 11.974 5.498 -11.588 1.00 0.00 C ATOM 239 CG LYS A 17 12.211 5.855 -13.058 1.00 0.00 C ATOM 240 CD LYS A 17 11.718 7.280 -13.327 1.00 0.00 C ATOM 241 CE LYS A 17 12.590 8.273 -12.558 1.00 0.00 C ATOM 242 NZ LYS A 17 12.832 9.480 -13.400 1.00 0.00 N ATOM 0 H LYS A 17 10.605 5.662 -9.378 1.00 0.00 H new ATOM 0 HA LYS A 17 9.941 5.309 -12.267 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.151 6.370 -10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.678 4.728 -11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.272 5.776 -13.295 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.686 5.150 -13.703 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.758 7.495 -14.395 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.677 7.380 -13.021 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.100 8.558 -11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.539 7.808 -12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.425 10.155 -12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.317 9.200 -14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.923 9.927 -13.635 1.00 0.00 H new ATOM 256 N MET A 18 9.566 2.931 -10.601 1.00 0.00 N ATOM 257 CA MET A 18 9.499 1.450 -10.447 1.00 0.00 C ATOM 258 C MET A 18 8.365 0.896 -11.312 1.00 0.00 C ATOM 259 O MET A 18 7.223 1.292 -11.186 1.00 0.00 O ATOM 260 CB MET A 18 9.233 1.101 -8.981 1.00 0.00 C ATOM 261 CG MET A 18 9.153 -0.421 -8.826 1.00 0.00 C ATOM 262 SD MET A 18 7.460 -0.903 -8.401 1.00 0.00 S ATOM 263 CE MET A 18 7.834 -1.667 -6.804 1.00 0.00 C ATOM 0 H MET A 18 8.822 3.449 -10.134 1.00 0.00 H new ATOM 0 HA MET A 18 10.446 1.011 -10.762 1.00 0.00 H new ATOM 0 HB2 MET A 18 10.028 1.500 -8.351 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.302 1.561 -8.650 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.458 -0.907 -9.753 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.842 -0.754 -8.050 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.904 -1.881 -6.276 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.382 -2.596 -6.964 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.441 -0.986 -6.208 1.00 0.00 H new ATOM 273 N ASP A 19 8.672 -0.023 -12.185 1.00 0.00 N ATOM 274 CA ASP A 19 7.613 -0.609 -13.054 1.00 0.00 C ATOM 275 C ASP A 19 6.832 -1.659 -12.262 1.00 0.00 C ATOM 276 O ASP A 19 5.619 -1.626 -12.197 1.00 0.00 O ATOM 277 CB ASP A 19 8.262 -1.268 -14.273 1.00 0.00 C ATOM 278 CG ASP A 19 7.175 -1.720 -15.249 1.00 0.00 C ATOM 279 OD1 ASP A 19 6.227 -2.347 -14.801 1.00 0.00 O ATOM 280 OD2 ASP A 19 7.306 -1.434 -16.428 1.00 0.00 O ATOM 0 H ASP A 19 9.610 -0.394 -12.334 1.00 0.00 H new ATOM 0 HA ASP A 19 6.935 0.177 -13.385 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.936 -0.566 -14.763 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.863 -2.122 -13.961 1.00 0.00 H new ATOM 285 N ASP A 20 7.517 -2.590 -11.656 1.00 0.00 N ATOM 286 CA ASP A 20 6.814 -3.640 -10.868 1.00 0.00 C ATOM 287 C ASP A 20 7.836 -4.648 -10.338 1.00 0.00 C ATOM 288 O ASP A 20 7.702 -5.167 -9.248 1.00 0.00 O ATOM 289 CB ASP A 20 5.802 -4.363 -11.763 1.00 0.00 C ATOM 290 CG ASP A 20 4.392 -4.166 -11.203 1.00 0.00 C ATOM 291 OD1 ASP A 20 3.861 -3.079 -11.357 1.00 0.00 O ATOM 292 OD2 ASP A 20 3.867 -5.107 -10.632 1.00 0.00 O ATOM 0 H ASP A 20 8.534 -2.668 -11.673 1.00 0.00 H new ATOM 0 HA ASP A 20 6.291 -3.176 -10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.858 -3.975 -12.780 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.039 -5.426 -11.813 1.00 0.00 H new ATOM 297 N GLY A 21 8.853 -4.934 -11.105 1.00 0.00 N ATOM 298 CA GLY A 21 9.879 -5.914 -10.647 1.00 0.00 C ATOM 299 C GLY A 21 11.153 -5.177 -10.224 1.00 0.00 C ATOM 300 O GLY A 21 12.240 -5.719 -10.279 1.00 0.00 O ATOM 0 H GLY A 21 9.018 -4.532 -12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.491 -6.496 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.105 -6.618 -11.448 1.00 0.00 H new ATOM 304 N GLN A 22 11.030 -3.949 -9.798 1.00 0.00 N ATOM 305 CA GLN A 22 12.238 -3.186 -9.371 1.00 0.00 C ATOM 306 C GLN A 22 12.486 -3.418 -7.878 1.00 0.00 C ATOM 307 O GLN A 22 13.613 -3.522 -7.436 1.00 0.00 O ATOM 308 CB GLN A 22 12.023 -1.693 -9.626 1.00 0.00 C ATOM 309 CG GLN A 22 13.372 -1.017 -9.884 1.00 0.00 C ATOM 310 CD GLN A 22 13.320 0.433 -9.397 1.00 0.00 C ATOM 311 OE1 GLN A 22 13.662 0.720 -8.267 1.00 0.00 O ATOM 312 NE2 GLN A 22 12.903 1.367 -10.209 1.00 0.00 N ATOM 0 H GLN A 22 10.148 -3.442 -9.727 1.00 0.00 H new ATOM 0 HA GLN A 22 13.101 -3.528 -9.942 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.364 -1.551 -10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.533 -1.234 -8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.166 -1.557 -9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.607 -1.046 -10.948 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.616 1.127 -11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.865 2.337 -9.894 1.00 0.00 H new ATOM 321 N LEU A 23 11.443 -3.500 -7.096 1.00 0.00 N ATOM 322 CA LEU A 23 11.628 -3.724 -5.634 1.00 0.00 C ATOM 323 C LEU A 23 10.594 -4.741 -5.140 1.00 0.00 C ATOM 324 O LEU A 23 9.800 -4.461 -4.265 1.00 0.00 O ATOM 325 CB LEU A 23 11.446 -2.398 -4.886 1.00 0.00 C ATOM 326 CG LEU A 23 12.801 -1.918 -4.357 1.00 0.00 C ATOM 327 CD1 LEU A 23 12.613 -0.621 -3.566 1.00 0.00 C ATOM 328 CD2 LEU A 23 13.398 -2.985 -3.438 1.00 0.00 C ATOM 0 H LEU A 23 10.474 -3.422 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 23 12.631 -4.108 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.018 -1.649 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.747 -2.527 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 23 13.472 -1.740 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.578 -0.281 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.187 0.143 -4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.940 -0.800 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.362 -2.643 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.724 -3.162 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.534 -3.911 -3.996 1.00 0.00 H new ATOM 340 N ASP A 24 10.599 -5.922 -5.694 1.00 0.00 N ATOM 341 CA ASP A 24 9.617 -6.952 -5.252 1.00 0.00 C ATOM 342 C ASP A 24 10.163 -7.710 -4.034 1.00 0.00 C ATOM 343 O ASP A 24 9.505 -8.574 -3.490 1.00 0.00 O ATOM 344 CB ASP A 24 9.357 -7.935 -6.399 1.00 0.00 C ATOM 345 CG ASP A 24 10.647 -8.690 -6.731 1.00 0.00 C ATOM 346 OD1 ASP A 24 11.527 -8.088 -7.322 1.00 0.00 O ATOM 347 OD2 ASP A 24 10.729 -9.859 -6.391 1.00 0.00 O ATOM 0 H ASP A 24 11.239 -6.218 -6.431 1.00 0.00 H new ATOM 0 HA ASP A 24 8.684 -6.462 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.574 -8.639 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.002 -7.398 -7.278 1.00 0.00 H new ATOM 352 N GLY A 25 11.358 -7.399 -3.597 1.00 0.00 N ATOM 353 CA GLY A 25 11.925 -8.109 -2.415 1.00 0.00 C ATOM 354 C GLY A 25 11.560 -7.354 -1.134 1.00 0.00 C ATOM 355 O GLY A 25 12.196 -7.507 -0.111 1.00 0.00 O ATOM 0 H GLY A 25 11.962 -6.687 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.539 -9.127 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.008 -8.183 -2.509 1.00 0.00 H new ATOM 359 N LEU A 26 10.535 -6.544 -1.178 1.00 0.00 N ATOM 360 CA LEU A 26 10.128 -5.794 0.024 1.00 0.00 C ATOM 361 C LEU A 26 9.294 -6.710 0.914 1.00 0.00 C ATOM 362 O LEU A 26 8.459 -7.462 0.452 1.00 0.00 O ATOM 363 CB LEU A 26 9.270 -4.583 -0.376 1.00 0.00 C ATOM 364 CG LEU A 26 10.034 -3.672 -1.345 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.089 -2.585 -1.871 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.202 -3.003 -0.614 1.00 0.00 C ATOM 0 H LEU A 26 9.964 -6.375 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 26 11.017 -5.449 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.346 -4.924 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.989 -4.020 0.514 1.00 0.00 H new ATOM 0 HG LEU A 26 10.415 -4.269 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.629 -1.936 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.252 -3.051 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.713 -1.995 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.742 -2.357 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.819 -2.408 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.877 -3.768 -0.230 1.00 0.00 H new ATOM 378 N ALA A 27 9.497 -6.620 2.188 1.00 0.00 N ATOM 379 CA ALA A 27 8.701 -7.449 3.147 1.00 0.00 C ATOM 380 C ALA A 27 7.306 -6.817 3.326 1.00 0.00 C ATOM 381 O ALA A 27 6.491 -7.268 4.121 1.00 0.00 O ATOM 382 CB ALA A 27 9.417 -7.492 4.498 1.00 0.00 C ATOM 0 H ALA A 27 10.185 -6.004 2.621 1.00 0.00 H new ATOM 0 HA ALA A 27 8.598 -8.462 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.838 -8.095 5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.406 -7.932 4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.517 -6.480 4.889 1.00 0.00 H new ATOM 388 N PHE A 28 7.031 -5.768 2.593 1.00 0.00 N ATOM 389 CA PHE A 28 5.718 -5.094 2.698 1.00 0.00 C ATOM 390 C PHE A 28 5.228 -4.773 1.296 1.00 0.00 C ATOM 391 O PHE A 28 5.987 -4.359 0.440 1.00 0.00 O ATOM 392 CB PHE A 28 5.866 -3.784 3.474 1.00 0.00 C ATOM 393 CG PHE A 28 7.170 -3.130 3.084 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.367 -3.569 3.661 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.186 -2.118 2.121 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.581 -2.998 3.273 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.401 -1.541 1.738 1.00 0.00 C ATOM 398 CZ PHE A 28 9.597 -1.986 2.312 1.00 0.00 C ATOM 0 H PHE A 28 7.674 -5.351 1.920 1.00 0.00 H new ATOM 0 HA PHE A 28 5.014 -5.745 3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.030 -3.119 3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.847 -3.977 4.547 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.352 -4.350 4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.262 -1.782 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.505 -3.339 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.416 -0.753 1.000 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.536 -1.545 2.010 1.00 0.00 H new ATOM 408 N GLY A 29 3.970 -4.947 1.053 1.00 0.00 N ATOM 409 CA GLY A 29 3.434 -4.640 -0.292 1.00 0.00 C ATOM 410 C GLY A 29 3.357 -3.129 -0.465 1.00 0.00 C ATOM 411 O GLY A 29 2.804 -2.442 0.367 1.00 0.00 O ATOM 0 H GLY A 29 3.286 -5.289 1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.074 -5.074 -1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.446 -5.083 -0.413 1.00 0.00 H new ATOM 415 N ALA A 30 3.881 -2.594 -1.536 1.00 0.00 N ATOM 416 CA ALA A 30 3.791 -1.121 -1.718 1.00 0.00 C ATOM 417 C ALA A 30 2.700 -0.841 -2.740 1.00 0.00 C ATOM 418 O ALA A 30 2.782 -1.268 -3.875 1.00 0.00 O ATOM 419 CB ALA A 30 5.132 -0.544 -2.197 1.00 0.00 C ATOM 0 H ALA A 30 4.359 -3.104 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 30 3.552 -0.645 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.040 0.535 -2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.905 -0.759 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.404 -0.998 -3.150 1.00 0.00 H new ATOM 425 N ILE A 31 1.657 -0.161 -2.348 1.00 0.00 N ATOM 426 CA ILE A 31 0.561 0.098 -3.318 1.00 0.00 C ATOM 427 C ILE A 31 0.433 1.598 -3.587 1.00 0.00 C ATOM 428 O ILE A 31 0.610 2.423 -2.715 1.00 0.00 O ATOM 429 CB ILE A 31 -0.765 -0.489 -2.782 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.411 0.417 -1.739 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.492 -1.830 -2.113 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.213 1.521 -2.428 1.00 0.00 C ATOM 0 H ILE A 31 1.519 0.220 -1.412 1.00 0.00 H new ATOM 0 HA ILE A 31 0.795 -0.392 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.438 -0.591 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.064 -0.168 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.643 0.857 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.426 -2.245 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.058 -2.517 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.204 -1.689 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.670 2.163 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.549 2.115 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.992 1.074 -3.045 1.00 0.00 H new ATOM 444 N GLN A 32 0.111 1.944 -4.798 1.00 0.00 N ATOM 445 CA GLN A 32 -0.055 3.375 -5.159 1.00 0.00 C ATOM 446 C GLN A 32 -1.549 3.627 -5.375 1.00 0.00 C ATOM 447 O GLN A 32 -2.316 2.693 -5.461 1.00 0.00 O ATOM 448 CB GLN A 32 0.735 3.653 -6.435 1.00 0.00 C ATOM 449 CG GLN A 32 1.436 5.009 -6.317 1.00 0.00 C ATOM 450 CD GLN A 32 2.267 5.269 -7.575 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.917 6.103 -8.387 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.360 4.586 -7.771 1.00 0.00 N ATOM 0 H GLN A 32 -0.046 1.288 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 32 0.316 4.034 -4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.470 2.865 -6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.067 3.651 -7.296 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.698 5.801 -6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.078 5.022 -5.436 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.653 3.886 -7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.922 4.751 -8.606 1.00 0.00 H new ATOM 461 N LEU A 33 -1.985 4.859 -5.482 1.00 0.00 N ATOM 462 CA LEU A 33 -3.446 5.094 -5.690 1.00 0.00 C ATOM 463 C LEU A 33 -3.699 6.449 -6.347 1.00 0.00 C ATOM 464 O LEU A 33 -3.147 7.458 -5.957 1.00 0.00 O ATOM 465 CB LEU A 33 -4.172 5.091 -4.341 1.00 0.00 C ATOM 466 CG LEU A 33 -4.375 3.656 -3.853 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.181 3.674 -2.554 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.138 2.851 -4.908 1.00 0.00 C ATOM 0 H LEU A 33 -1.405 5.696 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.816 4.297 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.594 5.654 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.136 5.590 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.403 3.194 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.328 2.653 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.640 4.243 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.150 4.139 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.279 1.830 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.110 3.312 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.569 2.838 -5.837 1.00 0.00 H new ATOM 480 N ASP A 34 -4.568 6.481 -7.317 1.00 0.00 N ATOM 481 CA ASP A 34 -4.907 7.761 -7.973 1.00 0.00 C ATOM 482 C ASP A 34 -6.140 8.306 -7.266 1.00 0.00 C ATOM 483 O ASP A 34 -6.667 7.659 -6.387 1.00 0.00 O ATOM 484 CB ASP A 34 -5.210 7.527 -9.456 1.00 0.00 C ATOM 485 CG ASP A 34 -4.869 8.787 -10.258 1.00 0.00 C ATOM 486 OD1 ASP A 34 -4.364 9.729 -9.667 1.00 0.00 O ATOM 487 OD2 ASP A 34 -5.119 8.789 -11.452 1.00 0.00 O ATOM 0 H ASP A 34 -5.059 5.665 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.078 8.465 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.631 6.681 -9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.262 7.275 -9.587 1.00 0.00 H new ATOM 492 N GLY A 35 -6.579 9.481 -7.625 1.00 0.00 N ATOM 493 CA GLY A 35 -7.768 10.103 -6.960 1.00 0.00 C ATOM 494 C GLY A 35 -8.916 9.100 -6.757 1.00 0.00 C ATOM 495 O GLY A 35 -9.394 8.917 -5.656 1.00 0.00 O ATOM 0 H GLY A 35 -6.160 10.048 -8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.469 10.510 -5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.122 10.939 -7.563 1.00 0.00 H new ATOM 499 N ASP A 36 -9.378 8.461 -7.799 1.00 0.00 N ATOM 500 CA ASP A 36 -10.509 7.494 -7.636 1.00 0.00 C ATOM 501 C ASP A 36 -10.091 6.373 -6.685 1.00 0.00 C ATOM 502 O ASP A 36 -10.910 5.649 -6.152 1.00 0.00 O ATOM 503 CB ASP A 36 -10.872 6.899 -8.998 1.00 0.00 C ATOM 504 CG ASP A 36 -12.313 7.270 -9.354 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.632 8.447 -9.301 1.00 0.00 O ATOM 506 OD2 ASP A 36 -13.074 6.371 -9.674 1.00 0.00 O ATOM 0 H ASP A 36 -9.026 8.564 -8.751 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.374 8.014 -7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.190 7.272 -9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.761 5.815 -8.974 1.00 0.00 H new ATOM 511 N GLY A 37 -8.817 6.214 -6.500 1.00 0.00 N ATOM 512 CA GLY A 37 -8.305 5.128 -5.622 1.00 0.00 C ATOM 513 C GLY A 37 -7.802 4.014 -6.526 1.00 0.00 C ATOM 514 O GLY A 37 -7.842 2.847 -6.189 1.00 0.00 O ATOM 0 H GLY A 37 -8.096 6.797 -6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.502 5.497 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.093 4.762 -4.964 1.00 0.00 H new ATOM 518 N ASN A 38 -7.355 4.375 -7.703 1.00 0.00 N ATOM 519 CA ASN A 38 -6.879 3.327 -8.667 1.00 0.00 C ATOM 520 C ASN A 38 -5.404 2.994 -8.423 1.00 0.00 C ATOM 521 O ASN A 38 -4.564 3.858 -8.333 1.00 0.00 O ATOM 522 CB ASN A 38 -7.054 3.827 -10.101 1.00 0.00 C ATOM 523 CG ASN A 38 -8.477 4.357 -10.287 1.00 0.00 C ATOM 524 OD1 ASN A 38 -8.683 5.548 -10.416 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.475 3.517 -10.307 1.00 0.00 N ATOM 0 H ASN A 38 -7.298 5.337 -8.038 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.472 2.425 -8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.331 4.614 -10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.861 3.018 -10.806 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.428 3.860 -10.431 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.303 2.518 -10.199 1.00 0.00 H new ATOM 532 N ILE A 39 -5.077 1.738 -8.311 1.00 0.00 N ATOM 533 CA ILE A 39 -3.653 1.372 -8.057 1.00 0.00 C ATOM 534 C ILE A 39 -2.754 1.816 -9.222 1.00 0.00 C ATOM 535 O ILE A 39 -3.017 1.531 -10.373 1.00 0.00 O ATOM 536 CB ILE A 39 -3.542 -0.163 -7.814 1.00 0.00 C ATOM 537 CG1 ILE A 39 -2.813 -0.403 -6.490 1.00 0.00 C ATOM 538 CG2 ILE A 39 -2.767 -0.884 -8.929 1.00 0.00 C ATOM 539 CD1 ILE A 39 -3.816 -0.359 -5.341 1.00 0.00 C ATOM 0 H ILE A 39 -5.726 0.954 -8.383 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.308 1.894 -7.164 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.556 -0.564 -7.796 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.309 -1.369 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.043 0.355 -6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.720 -1.950 -8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.275 -0.732 -9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.756 -0.481 -8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.297 -0.530 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.299 0.618 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.569 -1.133 -5.486 1.00 0.00 H new ATOM 551 N LEU A 40 -1.663 2.462 -8.917 1.00 0.00 N ATOM 552 CA LEU A 40 -0.712 2.848 -9.997 1.00 0.00 C ATOM 553 C LEU A 40 0.488 1.895 -9.915 1.00 0.00 C ATOM 554 O LEU A 40 1.237 1.737 -10.859 1.00 0.00 O ATOM 555 CB LEU A 40 -0.221 4.291 -9.823 1.00 0.00 C ATOM 556 CG LEU A 40 -1.400 5.224 -9.551 1.00 0.00 C ATOM 557 CD1 LEU A 40 -1.539 5.439 -8.071 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.148 6.576 -10.196 1.00 0.00 C ATOM 0 H LEU A 40 -1.390 2.738 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.214 2.783 -10.962 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.490 4.343 -8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.307 4.613 -10.721 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.304 4.772 -9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.380 6.105 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.713 4.482 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.625 5.887 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.992 7.236 -9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.240 7.014 -9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.031 6.449 -11.272 1.00 0.00 H new ATOM 570 N GLN A 41 0.673 1.260 -8.779 1.00 0.00 N ATOM 571 CA GLN A 41 1.818 0.314 -8.609 1.00 0.00 C ATOM 572 C GLN A 41 1.467 -0.681 -7.485 1.00 0.00 C ATOM 573 O GLN A 41 0.579 -0.434 -6.694 1.00 0.00 O ATOM 574 CB GLN A 41 3.072 1.136 -8.262 1.00 0.00 C ATOM 575 CG GLN A 41 4.200 0.243 -7.729 1.00 0.00 C ATOM 576 CD GLN A 41 3.994 -0.050 -6.237 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.251 -1.149 -5.788 1.00 0.00 O ATOM 578 NE2 GLN A 41 3.548 0.889 -5.441 1.00 0.00 N ATOM 0 H GLN A 41 0.074 1.359 -7.959 1.00 0.00 H new ATOM 0 HA GLN A 41 2.012 -0.251 -9.521 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.416 1.668 -9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.820 1.889 -7.516 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.227 -0.692 -8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.162 0.733 -7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.331 1.813 -5.814 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.418 0.696 -4.448 1.00 0.00 H new ATOM 587 N TYR A 42 2.133 -1.811 -7.411 1.00 0.00 N ATOM 588 CA TYR A 42 1.788 -2.799 -6.339 1.00 0.00 C ATOM 589 C TYR A 42 3.033 -3.579 -5.886 1.00 0.00 C ATOM 590 O TYR A 42 3.419 -3.525 -4.729 1.00 0.00 O ATOM 591 CB TYR A 42 0.752 -3.786 -6.892 1.00 0.00 C ATOM 592 CG TYR A 42 0.024 -4.453 -5.753 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.640 -3.670 -4.806 1.00 0.00 C ATOM 594 CD2 TYR A 42 0.011 -5.851 -5.638 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.320 -4.276 -3.745 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.669 -6.459 -4.576 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.332 -5.672 -3.631 1.00 0.00 C ATOM 598 OH TYR A 42 -2.001 -6.268 -2.590 1.00 0.00 O ATOM 0 H TYR A 42 2.889 -2.088 -8.037 1.00 0.00 H new ATOM 0 HA TYR A 42 1.387 -2.259 -5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.042 -3.262 -7.532 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.245 -4.537 -7.510 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.628 -2.594 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.525 -6.458 -6.368 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.835 -3.669 -3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.681 -7.535 -4.487 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.732 -5.849 -1.746 1.00 0.00 H new ATOM 608 N ASN A 43 3.629 -4.316 -6.805 1.00 0.00 N ATOM 609 CA ASN A 43 4.844 -5.163 -6.522 1.00 0.00 C ATOM 610 C ASN A 43 4.387 -6.614 -6.270 1.00 0.00 C ATOM 611 O ASN A 43 3.207 -6.902 -6.266 1.00 0.00 O ATOM 612 CB ASN A 43 5.690 -4.597 -5.350 1.00 0.00 C ATOM 613 CG ASN A 43 5.300 -5.223 -4.006 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.180 -5.644 -3.823 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.189 -5.301 -3.056 1.00 0.00 N ATOM 0 H ASN A 43 3.311 -4.366 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 43 5.505 -5.146 -7.389 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.747 -4.782 -5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.560 -3.516 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.941 -5.717 -2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.133 -4.946 -3.210 1.00 0.00 H new ATOM 622 N ALA A 44 5.303 -7.533 -6.101 1.00 0.00 N ATOM 623 CA ALA A 44 4.897 -8.962 -5.901 1.00 0.00 C ATOM 624 C ALA A 44 4.844 -9.358 -4.418 1.00 0.00 C ATOM 625 O ALA A 44 4.263 -10.365 -4.077 1.00 0.00 O ATOM 626 CB ALA A 44 5.897 -9.867 -6.622 1.00 0.00 C ATOM 0 H ALA A 44 6.308 -7.360 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 44 3.893 -9.079 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.611 -10.909 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.900 -9.631 -7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.894 -9.707 -6.212 1.00 0.00 H new ATOM 632 N ALA A 45 5.450 -8.612 -3.537 1.00 0.00 N ATOM 633 CA ALA A 45 5.423 -9.003 -2.090 1.00 0.00 C ATOM 634 C ALA A 45 3.980 -9.172 -1.613 1.00 0.00 C ATOM 635 O ALA A 45 3.557 -10.243 -1.217 1.00 0.00 O ATOM 636 CB ALA A 45 6.093 -7.914 -1.257 1.00 0.00 C ATOM 0 H ALA A 45 5.960 -7.754 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 45 5.955 -9.947 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.074 -8.197 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.126 -7.792 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.558 -6.974 -1.389 1.00 0.00 H new ATOM 642 N GLU A 46 3.234 -8.111 -1.630 1.00 0.00 N ATOM 643 CA GLU A 46 1.812 -8.183 -1.170 1.00 0.00 C ATOM 644 C GLU A 46 1.071 -9.214 -1.994 1.00 0.00 C ATOM 645 O GLU A 46 0.497 -10.142 -1.479 1.00 0.00 O ATOM 646 CB GLU A 46 1.078 -6.840 -1.332 1.00 0.00 C ATOM 647 CG GLU A 46 1.703 -5.972 -2.432 1.00 0.00 C ATOM 648 CD GLU A 46 1.166 -4.551 -2.328 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.719 -3.687 -2.987 1.00 0.00 O ATOM 650 OE2 GLU A 46 0.095 -4.338 -1.484 1.00 0.00 O ATOM 0 H GLU A 46 3.542 -7.190 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 46 1.830 -8.448 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.030 -7.026 -1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.100 -6.298 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.789 -5.969 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.472 -6.388 -3.413 1.00 0.00 H new ATOM 658 N GLY A 47 1.078 -9.051 -3.277 1.00 0.00 N ATOM 659 CA GLY A 47 0.361 -10.025 -4.149 1.00 0.00 C ATOM 660 C GLY A 47 0.863 -11.447 -3.863 1.00 0.00 C ATOM 661 O GLY A 47 0.229 -12.416 -4.221 1.00 0.00 O ATOM 0 H GLY A 47 1.546 -8.289 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.713 -9.966 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.523 -9.776 -5.198 1.00 0.00 H new ATOM 665 N ASP A 48 1.992 -11.588 -3.217 1.00 0.00 N ATOM 666 CA ASP A 48 2.500 -12.954 -2.910 1.00 0.00 C ATOM 667 C ASP A 48 1.611 -13.579 -1.835 1.00 0.00 C ATOM 668 O ASP A 48 1.244 -14.734 -1.909 1.00 0.00 O ATOM 669 CB ASP A 48 3.936 -12.870 -2.382 1.00 0.00 C ATOM 670 CG ASP A 48 4.814 -13.880 -3.122 1.00 0.00 C ATOM 671 OD1 ASP A 48 5.089 -13.654 -4.288 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.198 -14.862 -2.508 1.00 0.00 O ATOM 0 H ASP A 48 2.579 -10.820 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 48 2.484 -13.560 -3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.327 -11.862 -2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.953 -13.074 -1.311 1.00 0.00 H new ATOM 677 N ILE A 49 1.271 -12.820 -0.830 1.00 0.00 N ATOM 678 CA ILE A 49 0.416 -13.360 0.260 1.00 0.00 C ATOM 679 C ILE A 49 -1.070 -13.235 -0.139 1.00 0.00 C ATOM 680 O ILE A 49 -1.804 -14.202 -0.146 1.00 0.00 O ATOM 681 CB ILE A 49 0.753 -12.587 1.554 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.483 -13.523 2.519 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.491 -12.021 2.251 1.00 0.00 C ATOM 684 CD1 ILE A 49 2.993 -13.303 2.402 1.00 0.00 C ATOM 0 H ILE A 49 1.551 -11.845 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 49 0.606 -14.419 0.432 1.00 0.00 H new ATOM 0 HB ILE A 49 1.381 -11.741 1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.156 -13.335 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.237 -14.560 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.192 -11.489 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.004 -11.334 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.162 -12.838 2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.512 -13.970 3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.313 -13.513 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.230 -12.269 2.651 1.00 0.00 H new ATOM 696 N THR A 50 -1.509 -12.047 -0.454 1.00 0.00 N ATOM 697 CA THR A 50 -2.941 -11.845 -0.834 1.00 0.00 C ATOM 698 C THR A 50 -3.206 -12.415 -2.229 1.00 0.00 C ATOM 699 O THR A 50 -4.335 -12.676 -2.597 1.00 0.00 O ATOM 700 CB THR A 50 -3.254 -10.346 -0.848 1.00 0.00 C ATOM 701 OG1 THR A 50 -2.570 -9.730 -1.929 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.794 -9.716 0.460 1.00 0.00 C ATOM 0 H THR A 50 -0.937 -11.203 -0.465 1.00 0.00 H new ATOM 0 HA THR A 50 -3.572 -12.358 -0.108 1.00 0.00 H new ATOM 0 HB THR A 50 -4.328 -10.203 -0.964 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.604 -9.857 -1.820 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.017 -8.649 0.448 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.315 -10.187 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.720 -9.860 0.575 1.00 0.00 H new ATOM 710 N GLY A 51 -2.183 -12.594 -3.014 1.00 0.00 N ATOM 711 CA GLY A 51 -2.389 -13.125 -4.388 1.00 0.00 C ATOM 712 C GLY A 51 -2.734 -11.970 -5.342 1.00 0.00 C ATOM 713 O GLY A 51 -2.836 -12.153 -6.539 1.00 0.00 O ATOM 0 H GLY A 51 -1.214 -12.396 -2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.489 -13.636 -4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.192 -13.862 -4.387 1.00 0.00 H new ATOM 717 N ARG A 52 -2.918 -10.783 -4.819 1.00 0.00 N ATOM 718 CA ARG A 52 -3.260 -9.620 -5.687 1.00 0.00 C ATOM 719 C ARG A 52 -2.186 -9.428 -6.756 1.00 0.00 C ATOM 720 O ARG A 52 -1.197 -8.756 -6.539 1.00 0.00 O ATOM 721 CB ARG A 52 -3.333 -8.351 -4.835 1.00 0.00 C ATOM 722 CG ARG A 52 -4.696 -8.263 -4.135 1.00 0.00 C ATOM 723 CD ARG A 52 -4.524 -7.630 -2.759 1.00 0.00 C ATOM 724 NE ARG A 52 -5.027 -6.210 -2.718 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.395 -5.239 -3.335 1.00 0.00 C ATOM 726 NH1 ARG A 52 -4.131 -5.303 -4.613 1.00 0.00 N ATOM 727 NH2 ARG A 52 -4.046 -4.182 -2.662 1.00 0.00 N ATOM 0 H ARG A 52 -2.845 -10.571 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.221 -9.810 -6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.534 -8.355 -4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.181 -7.473 -5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.387 -7.671 -4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.131 -9.258 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.059 -8.224 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.470 -7.648 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.879 -5.998 -2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.417 -6.120 -5.153 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.639 -4.536 -5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.264 -4.115 -1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.554 -3.420 -3.128 1.00 0.00 H new ATOM 741 N ASP A 53 -2.376 -9.991 -7.914 1.00 0.00 N ATOM 742 CA ASP A 53 -1.368 -9.810 -8.995 1.00 0.00 C ATOM 743 C ASP A 53 -1.277 -8.313 -9.317 1.00 0.00 C ATOM 744 O ASP A 53 -2.183 -7.575 -8.998 1.00 0.00 O ATOM 745 CB ASP A 53 -1.806 -10.577 -10.243 1.00 0.00 C ATOM 746 CG ASP A 53 -1.517 -12.068 -10.055 1.00 0.00 C ATOM 747 OD1 ASP A 53 -2.337 -12.737 -9.447 1.00 0.00 O ATOM 748 OD2 ASP A 53 -0.484 -12.515 -10.522 1.00 0.00 O ATOM 0 H ASP A 53 -3.182 -10.567 -8.159 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.398 -10.188 -8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.870 -10.422 -10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.276 -10.201 -11.118 1.00 0.00 H new ATOM 753 N PRO A 54 -0.192 -7.894 -9.925 1.00 0.00 N ATOM 754 CA PRO A 54 0.004 -6.475 -10.274 1.00 0.00 C ATOM 755 C PRO A 54 -0.778 -6.108 -11.542 1.00 0.00 C ATOM 756 O PRO A 54 -1.664 -5.278 -11.517 1.00 0.00 O ATOM 757 CB PRO A 54 1.512 -6.371 -10.514 1.00 0.00 C ATOM 758 CG PRO A 54 2.000 -7.801 -10.855 1.00 0.00 C ATOM 759 CD PRO A 54 0.932 -8.774 -10.317 1.00 0.00 C ATOM 0 HA PRO A 54 -0.351 -5.795 -9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.729 -5.682 -11.330 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.021 -5.988 -9.629 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.125 -7.921 -11.931 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.969 -7.999 -10.397 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.629 -9.493 -11.078 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.305 -9.346 -9.468 1.00 0.00 H new ATOM 767 N LYS A 55 -0.447 -6.710 -12.652 1.00 0.00 N ATOM 768 CA LYS A 55 -1.160 -6.387 -13.922 1.00 0.00 C ATOM 769 C LYS A 55 -2.667 -6.602 -13.756 1.00 0.00 C ATOM 770 O LYS A 55 -3.461 -6.080 -14.513 1.00 0.00 O ATOM 771 CB LYS A 55 -0.647 -7.296 -15.042 1.00 0.00 C ATOM 772 CG LYS A 55 0.597 -6.677 -15.683 1.00 0.00 C ATOM 773 CD LYS A 55 1.596 -7.783 -16.028 1.00 0.00 C ATOM 774 CE LYS A 55 2.035 -7.642 -17.487 1.00 0.00 C ATOM 775 NZ LYS A 55 3.286 -8.424 -17.709 1.00 0.00 N ATOM 0 H LYS A 55 0.288 -7.413 -12.735 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.972 -5.343 -14.173 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.409 -8.282 -14.643 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.424 -7.436 -15.794 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.321 -6.128 -16.583 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.053 -5.960 -15.000 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.463 -7.722 -15.370 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.141 -8.761 -15.867 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.248 -7.999 -18.151 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.202 -6.592 -17.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.584 -8.328 -18.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.036 -8.063 -17.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.111 -9.427 -17.496 1.00 0.00 H new ATOM 789 N GLN A 56 -3.074 -7.372 -12.784 1.00 0.00 N ATOM 790 CA GLN A 56 -4.534 -7.615 -12.601 1.00 0.00 C ATOM 791 C GLN A 56 -5.127 -6.561 -11.664 1.00 0.00 C ATOM 792 O GLN A 56 -6.147 -5.968 -11.951 1.00 0.00 O ATOM 793 CB GLN A 56 -4.751 -9.008 -12.012 1.00 0.00 C ATOM 794 CG GLN A 56 -4.385 -10.062 -13.057 1.00 0.00 C ATOM 795 CD GLN A 56 -4.742 -11.452 -12.529 1.00 0.00 C ATOM 796 OE1 GLN A 56 -5.867 -11.695 -12.137 1.00 0.00 O ATOM 797 NE2 GLN A 56 -3.826 -12.381 -12.502 1.00 0.00 N ATOM 0 H GLN A 56 -2.465 -7.840 -12.113 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.031 -7.549 -13.569 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.139 -9.137 -11.119 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.790 -9.128 -11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.918 -9.867 -13.987 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.320 -10.010 -13.283 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.882 -12.177 -12.831 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.054 -13.312 -12.152 1.00 0.00 H new ATOM 806 N VAL A 57 -4.492 -6.309 -10.552 1.00 0.00 N ATOM 807 CA VAL A 57 -5.026 -5.281 -9.614 1.00 0.00 C ATOM 808 C VAL A 57 -4.797 -3.888 -10.194 1.00 0.00 C ATOM 809 O VAL A 57 -5.236 -2.903 -9.638 1.00 0.00 O ATOM 810 CB VAL A 57 -4.328 -5.396 -8.260 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.490 -6.820 -7.739 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.838 -5.066 -8.408 1.00 0.00 C ATOM 0 H VAL A 57 -3.631 -6.768 -10.253 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.095 -5.445 -9.478 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.775 -4.692 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.995 -6.912 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.550 -7.048 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.041 -7.519 -8.445 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.348 -5.151 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.379 -5.764 -9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.726 -4.049 -8.783 1.00 0.00 H new ATOM 822 N ILE A 58 -4.118 -3.791 -11.306 1.00 0.00 N ATOM 823 CA ILE A 58 -3.886 -2.458 -11.903 1.00 0.00 C ATOM 824 C ILE A 58 -5.220 -1.933 -12.435 1.00 0.00 C ATOM 825 O ILE A 58 -5.894 -2.578 -13.213 1.00 0.00 O ATOM 826 CB ILE A 58 -2.813 -2.580 -13.008 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.485 -2.106 -12.425 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.145 -1.722 -14.240 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.325 -2.728 -13.204 1.00 0.00 C ATOM 0 H ILE A 58 -3.719 -4.577 -11.819 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.512 -1.747 -11.167 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.769 -3.620 -13.333 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.425 -1.019 -12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.419 -2.384 -11.373 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.362 -1.841 -14.988 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.099 -2.041 -14.659 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.210 -0.674 -13.947 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.621 -2.386 -12.783 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.381 -3.814 -13.135 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.387 -2.428 -14.250 1.00 0.00 H new ATOM 841 N GLY A 59 -5.605 -0.772 -12.002 1.00 0.00 N ATOM 842 CA GLY A 59 -6.902 -0.202 -12.459 1.00 0.00 C ATOM 843 C GLY A 59 -7.998 -0.581 -11.459 1.00 0.00 C ATOM 844 O GLY A 59 -9.060 0.009 -11.436 1.00 0.00 O ATOM 0 H GLY A 59 -5.079 -0.189 -11.350 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.828 0.882 -12.542 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.150 -0.581 -13.450 1.00 0.00 H new ATOM 848 N LYS A 60 -7.748 -1.561 -10.626 1.00 0.00 N ATOM 849 CA LYS A 60 -8.774 -1.970 -9.628 1.00 0.00 C ATOM 850 C LYS A 60 -8.759 -0.981 -8.464 1.00 0.00 C ATOM 851 O LYS A 60 -7.712 -0.566 -8.001 1.00 0.00 O ATOM 852 CB LYS A 60 -8.447 -3.371 -9.097 1.00 0.00 C ATOM 853 CG LYS A 60 -8.269 -4.338 -10.270 1.00 0.00 C ATOM 854 CD LYS A 60 -9.590 -4.460 -11.033 1.00 0.00 C ATOM 855 CE LYS A 60 -9.368 -4.101 -12.503 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.665 -3.689 -13.115 1.00 0.00 N ATOM 0 H LYS A 60 -6.878 -2.092 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.757 -1.979 -10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.537 -3.340 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.247 -3.719 -8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.484 -3.979 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.955 -5.316 -9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.977 -5.476 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.337 -3.798 -10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.642 -3.293 -12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.956 -4.956 -13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.515 -3.445 -14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.345 -4.473 -13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.040 -2.862 -12.609 1.00 0.00 H new ATOM 870 N ASN A 61 -9.911 -0.603 -7.980 1.00 0.00 N ATOM 871 CA ASN A 61 -9.955 0.349 -6.837 1.00 0.00 C ATOM 872 C ASN A 61 -9.583 -0.413 -5.564 1.00 0.00 C ATOM 873 O ASN A 61 -10.360 -1.180 -5.034 1.00 0.00 O ATOM 874 CB ASN A 61 -11.364 0.933 -6.702 1.00 0.00 C ATOM 875 CG ASN A 61 -11.319 2.439 -6.959 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.646 3.226 -6.093 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.926 2.876 -8.123 1.00 0.00 N ATOM 0 H ASN A 61 -10.820 -0.912 -8.326 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.254 1.168 -7.002 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.038 0.452 -7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.757 0.735 -5.705 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.893 3.879 -8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.652 2.215 -8.850 1.00 0.00 H new ATOM 884 N PHE A 62 -8.389 -0.217 -5.086 1.00 0.00 N ATOM 885 CA PHE A 62 -7.933 -0.936 -3.859 1.00 0.00 C ATOM 886 C PHE A 62 -8.858 -0.628 -2.680 1.00 0.00 C ATOM 887 O PHE A 62 -8.862 -1.334 -1.691 1.00 0.00 O ATOM 888 CB PHE A 62 -6.509 -0.467 -3.533 1.00 0.00 C ATOM 889 CG PHE A 62 -6.133 -0.816 -2.107 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.872 -2.143 -1.768 1.00 0.00 C ATOM 891 CD2 PHE A 62 -6.036 0.191 -1.134 1.00 0.00 C ATOM 892 CE1 PHE A 62 -5.508 -2.470 -0.460 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.670 -0.139 0.178 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.402 -1.470 0.512 1.00 0.00 C ATOM 0 H PHE A 62 -7.701 0.415 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.953 -2.012 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.803 -0.931 -4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.435 0.611 -3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.951 -2.918 -2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.243 1.218 -1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.308 -3.498 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.595 0.633 0.929 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.113 -1.726 1.521 1.00 0.00 H new ATOM 904 N PHE A 63 -9.599 0.431 -2.752 1.00 0.00 N ATOM 905 CA PHE A 63 -10.468 0.785 -1.599 1.00 0.00 C ATOM 906 C PHE A 63 -11.814 0.056 -1.672 1.00 0.00 C ATOM 907 O PHE A 63 -12.266 -0.521 -0.704 1.00 0.00 O ATOM 908 CB PHE A 63 -10.702 2.292 -1.595 1.00 0.00 C ATOM 909 CG PHE A 63 -9.492 2.980 -1.015 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.033 2.630 0.259 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.834 3.971 -1.749 1.00 0.00 C ATOM 912 CE1 PHE A 63 -7.916 3.274 0.801 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.716 4.614 -1.209 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.257 4.266 0.069 1.00 0.00 C ATOM 0 H PHE A 63 -9.644 1.065 -3.550 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.968 0.478 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.885 2.646 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.588 2.533 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.541 1.863 0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.189 4.240 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.562 3.005 1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.206 5.379 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.395 4.764 0.488 1.00 0.00 H new ATOM 924 N LYS A 64 -12.469 0.087 -2.801 1.00 0.00 N ATOM 925 CA LYS A 64 -13.793 -0.597 -2.905 1.00 0.00 C ATOM 926 C LYS A 64 -13.793 -1.544 -4.103 1.00 0.00 C ATOM 927 O LYS A 64 -14.782 -1.689 -4.793 1.00 0.00 O ATOM 928 CB LYS A 64 -14.893 0.451 -3.084 1.00 0.00 C ATOM 929 CG LYS A 64 -14.638 1.247 -4.365 1.00 0.00 C ATOM 930 CD LYS A 64 -15.931 1.328 -5.181 1.00 0.00 C ATOM 931 CE LYS A 64 -16.650 2.639 -4.864 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.121 2.399 -4.808 1.00 0.00 N ATOM 0 H LYS A 64 -12.149 0.552 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.976 -1.169 -1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.868 -0.035 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.914 1.122 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.287 2.249 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.854 0.770 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.706 1.272 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.576 0.481 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.299 3.037 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.421 3.385 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.610 3.291 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.449 2.037 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.331 1.701 -4.066 1.00 0.00 H new ATOM 946 N ASP A 65 -12.692 -2.192 -4.355 1.00 0.00 N ATOM 947 CA ASP A 65 -12.634 -3.133 -5.513 1.00 0.00 C ATOM 948 C ASP A 65 -11.661 -4.283 -5.226 1.00 0.00 C ATOM 949 O ASP A 65 -11.845 -5.385 -5.703 1.00 0.00 O ATOM 950 CB ASP A 65 -12.178 -2.381 -6.763 1.00 0.00 C ATOM 951 CG ASP A 65 -13.098 -2.730 -7.936 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.674 -3.804 -7.912 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.210 -1.914 -8.836 1.00 0.00 O ATOM 0 H ASP A 65 -11.831 -2.113 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.629 -3.547 -5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.196 -1.307 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.148 -2.646 -7.004 1.00 0.00 H new ATOM 958 N VAL A 66 -10.628 -4.051 -4.456 1.00 0.00 N ATOM 959 CA VAL A 66 -9.673 -5.141 -4.163 1.00 0.00 C ATOM 960 C VAL A 66 -9.809 -5.526 -2.705 1.00 0.00 C ATOM 961 O VAL A 66 -10.072 -6.657 -2.350 1.00 0.00 O ATOM 962 CB VAL A 66 -8.252 -4.633 -4.355 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.308 -5.820 -4.415 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.140 -3.824 -5.639 1.00 0.00 C ATOM 0 H VAL A 66 -10.412 -3.153 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.878 -5.984 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.988 -3.987 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.286 -5.466 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.374 -6.385 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.585 -6.463 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.116 -3.470 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.408 -4.452 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.816 -2.970 -5.591 1.00 0.00 H new ATOM 974 N ALA A 67 -9.590 -4.567 -1.870 1.00 0.00 N ATOM 975 CA ALA A 67 -9.646 -4.793 -0.417 1.00 0.00 C ATOM 976 C ALA A 67 -10.950 -4.203 0.147 1.00 0.00 C ATOM 977 O ALA A 67 -11.072 -3.000 0.264 1.00 0.00 O ATOM 978 CB ALA A 67 -8.443 -4.080 0.179 1.00 0.00 C ATOM 0 H ALA A 67 -9.368 -3.609 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.627 -5.856 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.438 -4.217 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.528 -4.495 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.500 -3.016 -0.051 1.00 0.00 H new ATOM 984 N PRO A 68 -11.896 -5.061 0.483 1.00 0.00 N ATOM 985 CA PRO A 68 -13.195 -4.621 1.028 1.00 0.00 C ATOM 986 C PRO A 68 -13.069 -4.206 2.501 1.00 0.00 C ATOM 987 O PRO A 68 -14.048 -3.882 3.144 1.00 0.00 O ATOM 988 CB PRO A 68 -14.087 -5.857 0.886 1.00 0.00 C ATOM 989 CG PRO A 68 -13.138 -7.075 0.803 1.00 0.00 C ATOM 990 CD PRO A 68 -11.768 -6.535 0.356 1.00 0.00 C ATOM 0 HA PRO A 68 -13.591 -3.749 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.762 -5.948 1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.708 -5.787 -0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.062 -7.573 1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.514 -7.812 0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.964 -6.920 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.540 -6.828 -0.669 1.00 0.00 H new ATOM 998 N CYS A 69 -11.882 -4.213 3.046 1.00 0.00 N ATOM 999 CA CYS A 69 -11.722 -3.818 4.471 1.00 0.00 C ATOM 1000 C CYS A 69 -11.061 -2.432 4.558 1.00 0.00 C ATOM 1001 O CYS A 69 -11.094 -1.785 5.586 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.866 -4.875 5.198 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.103 -4.650 4.829 1.00 0.00 S ATOM 0 H CYS A 69 -11.021 -4.474 2.566 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.699 -3.763 4.950 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.028 -4.803 6.273 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.180 -5.874 4.895 1.00 0.00 H new ATOM 1008 N THR A 70 -10.447 -1.981 3.493 1.00 0.00 N ATOM 1009 CA THR A 70 -9.776 -0.652 3.532 1.00 0.00 C ATOM 1010 C THR A 70 -10.797 0.460 3.267 1.00 0.00 C ATOM 1011 O THR A 70 -10.446 1.619 3.159 1.00 0.00 O ATOM 1012 CB THR A 70 -8.671 -0.614 2.472 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.194 -1.045 1.223 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.530 -1.541 2.894 1.00 0.00 C ATOM 0 H THR A 70 -10.383 -2.475 2.603 1.00 0.00 H new ATOM 0 HA THR A 70 -9.339 -0.495 4.518 1.00 0.00 H new ATOM 0 HB THR A 70 -8.296 0.405 2.375 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.546 -0.852 0.513 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.743 -1.515 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.127 -1.210 3.851 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.906 -2.560 2.991 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.058 0.125 3.175 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.088 1.171 2.932 1.00 0.00 C ATOM 1024 C ASP A 71 -13.722 1.562 4.267 1.00 0.00 C ATOM 1025 O ASP A 71 -14.927 1.557 4.426 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.165 0.622 1.993 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.872 1.779 1.282 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.394 2.897 1.384 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.882 1.526 0.644 1.00 0.00 O ATOM 0 H ASP A 71 -12.416 -0.827 3.258 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.626 2.045 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.714 -0.047 1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.888 0.034 2.558 1.00 0.00 H new ATOM 1034 N SER A 72 -12.909 1.900 5.228 1.00 0.00 N ATOM 1035 CA SER A 72 -13.439 2.294 6.562 1.00 0.00 C ATOM 1036 C SER A 72 -12.794 3.632 6.974 1.00 0.00 C ATOM 1037 O SER A 72 -12.021 4.182 6.216 1.00 0.00 O ATOM 1038 CB SER A 72 -13.115 1.186 7.572 1.00 0.00 C ATOM 1039 OG SER A 72 -11.882 1.467 8.219 1.00 0.00 O ATOM 0 H SER A 72 -11.893 1.920 5.145 1.00 0.00 H new ATOM 0 HA SER A 72 -14.521 2.425 6.530 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.914 1.110 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.058 0.224 7.063 1.00 0.00 H new ATOM 0 HG SER A 72 -11.327 0.659 8.231 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.145 4.139 8.142 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.616 5.431 8.627 1.00 0.00 C ATOM 1047 C PRO A 73 -11.189 5.298 9.181 1.00 0.00 C ATOM 1048 O PRO A 73 -10.609 6.257 9.652 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.598 5.829 9.733 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.279 4.523 10.206 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.083 3.487 9.083 1.00 0.00 C ATOM 0 HA PRO A 73 -12.542 6.171 7.830 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.077 6.316 10.558 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.336 6.538 9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.836 4.172 11.138 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.339 4.688 10.399 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.674 2.554 9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.028 3.243 8.598 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.613 4.130 9.124 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.229 3.957 9.635 1.00 0.00 C ATOM 1061 C GLU A 74 -8.288 3.732 8.454 1.00 0.00 C ATOM 1062 O GLU A 74 -7.121 4.062 8.498 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.162 2.755 10.568 1.00 0.00 C ATOM 1064 CG GLU A 74 -10.196 2.913 11.684 1.00 0.00 C ATOM 1065 CD GLU A 74 -11.310 1.881 11.499 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -11.016 0.804 11.006 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -12.436 2.184 11.856 1.00 0.00 O ATOM 0 H GLU A 74 -11.044 3.287 8.744 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.933 4.850 10.185 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.352 1.838 10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.163 2.668 10.994 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.721 2.780 12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.613 3.920 11.668 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.797 3.183 7.390 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.953 2.954 6.189 1.00 0.00 C ATOM 1076 C PHE A 75 -8.299 4.047 5.177 1.00 0.00 C ATOM 1077 O PHE A 75 -7.536 4.971 4.953 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.252 1.571 5.602 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.976 0.969 5.062 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.378 1.514 3.922 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.386 -0.130 5.704 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.194 0.965 3.418 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.197 -0.679 5.200 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.604 -0.131 4.057 1.00 0.00 C ATOM 0 H PHE A 75 -9.767 2.881 7.300 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.893 2.990 6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.677 0.923 6.368 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.993 1.654 4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.831 2.361 3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.846 -0.553 6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.736 1.387 2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.740 -1.524 5.694 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.690 -0.555 3.668 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.468 3.981 4.600 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.870 5.048 3.651 1.00 0.00 C ATOM 1096 C TYR A 76 -10.081 6.337 4.449 1.00 0.00 C ATOM 1097 O TYR A 76 -10.108 7.409 3.899 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.173 4.667 2.943 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.347 5.532 1.715 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.283 5.696 0.818 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.569 6.172 1.473 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.440 6.495 -0.320 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.726 6.972 0.334 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.662 7.134 -0.563 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.817 7.922 -1.686 1.00 0.00 O ATOM 0 H TYR A 76 -10.154 3.240 4.745 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.095 5.184 2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.152 3.614 2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.019 4.799 3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.340 5.205 1.005 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.390 6.049 2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.619 6.619 -1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.669 7.465 0.147 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.725 8.290 -1.704 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.234 6.229 5.747 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.430 7.441 6.595 1.00 0.00 C ATOM 1117 C GLY A 77 -9.192 8.326 6.536 1.00 0.00 C ATOM 1118 O GLY A 77 -9.239 9.457 6.095 1.00 0.00 O ATOM 0 H GLY A 77 -10.231 5.345 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.302 7.998 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.627 7.146 7.626 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.080 7.820 6.996 1.00 0.00 N ATOM 1123 CA LYS A 78 -6.831 8.637 6.984 1.00 0.00 C ATOM 1124 C LYS A 78 -6.471 8.995 5.547 1.00 0.00 C ATOM 1125 O LYS A 78 -5.681 9.879 5.296 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.685 7.854 7.641 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.197 7.068 8.865 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.273 7.865 9.619 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.180 7.566 11.117 1.00 0.00 C ATOM 1130 NZ LYS A 78 -7.730 8.714 11.892 1.00 0.00 N ATOM 0 H LYS A 78 -7.981 6.880 7.379 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.994 9.554 7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.246 7.166 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.896 8.541 7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.607 6.111 8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.366 6.848 9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.140 8.932 9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.263 7.601 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.734 6.657 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.142 7.388 11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.666 8.509 12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.183 9.572 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.726 8.864 11.631 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.043 8.308 4.607 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.759 8.587 3.186 1.00 0.00 C ATOM 1146 C PHE A 79 -7.603 9.762 2.701 1.00 0.00 C ATOM 1147 O PHE A 79 -7.141 10.583 1.950 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.118 7.341 2.397 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.033 7.583 0.907 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.080 8.241 0.249 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.929 7.124 0.176 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -8.023 8.436 -1.136 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.876 7.323 -1.201 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.920 7.973 -1.860 1.00 0.00 C ATOM 0 H PHE A 79 -7.707 7.551 4.770 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.708 8.844 3.052 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.446 6.528 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.127 7.023 2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.931 8.598 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.120 6.616 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.830 8.943 -1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.022 6.972 -1.762 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.876 8.119 -2.929 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.832 9.850 3.112 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.680 10.970 2.656 1.00 0.00 C ATOM 1166 C LYS A 80 -9.284 12.236 3.400 1.00 0.00 C ATOM 1167 O LYS A 80 -9.673 13.329 3.037 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.147 10.651 2.935 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.774 9.996 1.704 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.194 10.533 1.508 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.252 11.382 0.236 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.655 11.429 -0.264 1.00 0.00 N ATOM 0 H LYS A 80 -9.284 9.191 3.746 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.542 11.117 1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.228 9.985 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.686 11.564 3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.170 10.204 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.797 8.913 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.900 9.705 1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.489 11.131 2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.894 12.391 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.597 10.960 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.696 12.006 -1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.981 10.464 -0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.269 11.850 0.463 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.499 12.104 4.431 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.071 13.321 5.178 1.00 0.00 C ATOM 1188 C GLU A 81 -6.696 13.725 4.669 1.00 0.00 C ATOM 1189 O GLU A 81 -6.413 14.885 4.453 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.031 13.043 6.685 1.00 0.00 C ATOM 1191 CG GLU A 81 -6.946 12.018 7.000 1.00 0.00 C ATOM 1192 CD GLU A 81 -6.921 11.753 8.507 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -7.985 11.725 9.101 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -5.838 11.581 9.041 1.00 0.00 O ATOM 0 H GLU A 81 -8.138 11.219 4.787 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.782 14.131 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.837 13.968 7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.000 12.673 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.138 11.091 6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.975 12.386 6.668 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.847 12.763 4.446 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.496 13.078 3.911 1.00 0.00 C ATOM 1203 C GLY A 82 -4.677 13.699 2.529 1.00 0.00 C ATOM 1204 O GLY A 82 -4.010 14.646 2.163 1.00 0.00 O ATOM 0 H GLY A 82 -6.030 11.773 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.973 13.767 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.890 12.174 3.848 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.600 13.173 1.768 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.865 13.725 0.409 1.00 0.00 C ATOM 1210 C VAL A 83 -6.287 15.192 0.535 1.00 0.00 C ATOM 1211 O VAL A 83 -5.716 16.071 -0.079 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.002 12.930 -0.244 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.346 13.534 -1.607 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.572 11.476 -0.431 1.00 0.00 C ATOM 0 H VAL A 83 -6.185 12.380 2.032 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.964 13.651 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.879 12.972 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.154 12.964 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.661 14.569 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.468 13.500 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.382 10.914 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.690 11.437 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.336 11.039 0.539 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.292 15.457 1.326 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.768 16.860 1.497 1.00 0.00 C ATOM 1226 C ALA A 84 -6.836 17.631 2.440 1.00 0.00 C ATOM 1227 O ALA A 84 -7.028 18.805 2.685 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.174 16.840 2.093 1.00 0.00 C ATOM 0 H ALA A 84 -7.806 14.759 1.863 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.775 17.353 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.529 17.862 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.846 16.304 1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.152 16.340 3.061 1.00 0.00 H new ATOM 1234 N SER A 85 -5.834 16.987 2.974 1.00 0.00 N ATOM 1235 CA SER A 85 -4.909 17.697 3.901 1.00 0.00 C ATOM 1236 C SER A 85 -3.749 18.299 3.105 1.00 0.00 C ATOM 1237 O SER A 85 -3.242 19.354 3.431 1.00 0.00 O ATOM 1238 CB SER A 85 -4.365 16.707 4.933 1.00 0.00 C ATOM 1239 OG SER A 85 -3.368 17.347 5.719 1.00 0.00 O ATOM 0 H SER A 85 -5.617 16.004 2.809 1.00 0.00 H new ATOM 0 HA SER A 85 -5.447 18.495 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.173 16.349 5.571 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.945 15.835 4.431 1.00 0.00 H new ATOM 0 HG SER A 85 -3.018 16.715 6.382 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.325 17.636 2.065 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.196 18.170 1.251 1.00 0.00 C ATOM 1247 C GLY A 86 -0.880 17.542 1.720 1.00 0.00 C ATOM 1248 O GLY A 86 0.190 18.059 1.466 1.00 0.00 O ATOM 0 H GLY A 86 -3.711 16.748 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.360 17.950 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.147 19.255 1.347 1.00 0.00 H new ATOM 1252 N ASN A 87 -0.951 16.433 2.405 1.00 0.00 N ATOM 1253 CA ASN A 87 0.293 15.772 2.891 1.00 0.00 C ATOM 1254 C ASN A 87 -0.077 14.446 3.557 1.00 0.00 C ATOM 1255 O ASN A 87 0.109 14.263 4.744 1.00 0.00 O ATOM 1256 CB ASN A 87 0.993 16.677 3.908 1.00 0.00 C ATOM 1257 CG ASN A 87 0.031 16.999 5.054 1.00 0.00 C ATOM 1258 OD1 ASN A 87 -0.006 16.299 6.047 1.00 0.00 O ATOM 1259 ND2 ASN A 87 -0.752 18.037 4.959 1.00 0.00 N ATOM 0 H ASN A 87 -1.819 15.956 2.649 1.00 0.00 H new ATOM 0 HA ASN A 87 0.965 15.590 2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.885 16.184 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.322 17.598 3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.395 18.262 5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.721 18.625 4.126 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.606 13.522 2.804 1.00 0.00 N ATOM 1267 CA LEU A 88 -0.994 12.210 3.395 1.00 0.00 C ATOM 1268 C LEU A 88 0.182 11.627 4.185 1.00 0.00 C ATOM 1269 O LEU A 88 1.263 11.443 3.668 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.389 11.247 2.273 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.318 10.170 2.829 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.497 9.965 1.879 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.549 8.855 2.973 1.00 0.00 C ATOM 0 H LEU A 88 -0.787 13.618 1.805 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.839 12.352 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.886 11.792 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.499 10.788 1.843 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.689 10.485 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.157 9.196 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.049 10.900 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.127 9.653 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.213 8.087 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.176 8.543 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.710 8.997 3.654 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.023 11.336 5.436 1.00 0.00 N ATOM 1286 CA ASN A 89 1.078 10.761 6.259 1.00 0.00 C ATOM 1287 C ASN A 89 0.473 10.092 7.490 1.00 0.00 C ATOM 1288 O ASN A 89 0.294 10.715 8.518 1.00 0.00 O ATOM 1289 CB ASN A 89 2.031 11.874 6.700 1.00 0.00 C ATOM 1290 CG ASN A 89 3.292 11.255 7.305 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.974 10.484 6.660 1.00 0.00 O ATOM 1292 ND2 ASN A 89 3.632 11.560 8.527 1.00 0.00 N ATOM 0 H ASN A 89 -0.907 11.471 5.927 1.00 0.00 H new ATOM 0 HA ASN A 89 1.633 10.030 5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.294 12.501 5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.542 12.518 7.431 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.470 11.151 8.940 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.060 12.207 9.069 1.00 0.00 H new ATOM 1299 N THR A 90 0.140 8.832 7.400 1.00 0.00 N ATOM 1300 CA THR A 90 -0.470 8.158 8.585 1.00 0.00 C ATOM 1301 C THR A 90 -0.189 6.655 8.560 1.00 0.00 C ATOM 1302 O THR A 90 0.333 6.122 7.607 1.00 0.00 O ATOM 1303 CB THR A 90 -1.983 8.387 8.572 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.559 7.788 9.723 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.585 7.764 7.312 1.00 0.00 C ATOM 0 H THR A 90 0.261 8.248 6.573 1.00 0.00 H new ATOM 0 HA THR A 90 -0.032 8.580 9.489 1.00 0.00 H new ATOM 0 HB THR A 90 -2.190 9.457 8.577 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.495 8.067 9.803 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.663 7.928 7.304 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.141 8.226 6.430 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.381 6.693 7.302 1.00 0.00 H new ATOM 1313 N MET A 91 -0.541 5.974 9.615 1.00 0.00 N ATOM 1314 CA MET A 91 -0.313 4.502 9.684 1.00 0.00 C ATOM 1315 C MET A 91 -1.265 3.912 10.730 1.00 0.00 C ATOM 1316 O MET A 91 -1.959 4.635 11.418 1.00 0.00 O ATOM 1317 CB MET A 91 1.134 4.232 10.099 1.00 0.00 C ATOM 1318 CG MET A 91 1.467 5.055 11.344 1.00 0.00 C ATOM 1319 SD MET A 91 2.360 4.021 12.529 1.00 0.00 S ATOM 1320 CE MET A 91 2.806 5.339 13.686 1.00 0.00 C ATOM 0 H MET A 91 -0.982 6.378 10.441 1.00 0.00 H new ATOM 0 HA MET A 91 -0.497 4.046 8.711 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.273 3.170 10.303 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.812 4.492 9.286 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.072 5.919 11.071 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.552 5.437 11.796 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.375 4.918 14.515 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.412 6.085 13.172 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.900 5.809 14.069 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.306 2.613 10.872 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.223 2.018 11.893 1.00 0.00 C ATOM 1332 C PHE A 92 -2.134 0.494 11.866 1.00 0.00 C ATOM 1333 O PHE A 92 -1.840 -0.100 10.854 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.666 2.438 11.603 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.991 2.168 10.154 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.115 0.851 9.689 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.169 3.237 9.271 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.409 0.610 8.344 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.467 2.992 7.928 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.586 1.678 7.466 1.00 0.00 C ATOM 0 H PHE A 92 -0.753 1.945 10.334 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.923 2.378 12.877 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.352 1.889 12.248 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.799 3.497 11.825 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.983 0.023 10.370 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.076 4.252 9.627 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.499 -0.405 7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.605 3.818 7.246 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.815 1.490 6.427 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.406 -0.144 12.971 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.355 -1.635 13.003 1.00 0.00 C ATOM 1352 C GLU A 93 -3.643 -2.185 12.388 1.00 0.00 C ATOM 1353 O GLU A 93 -4.728 -1.953 12.884 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.218 -2.126 14.450 1.00 0.00 C ATOM 1355 CG GLU A 93 -3.198 -1.375 15.357 1.00 0.00 C ATOM 1356 CD GLU A 93 -3.441 -2.191 16.629 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -3.620 -3.392 16.514 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -3.441 -1.599 17.696 1.00 0.00 O ATOM 0 H GLU A 93 -2.661 0.301 13.853 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.494 -1.985 12.434 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.414 -3.197 14.499 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.197 -1.972 14.799 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.796 -0.394 15.612 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.139 -1.207 14.834 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.539 -2.900 11.302 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.764 -3.440 10.655 1.00 0.00 C ATOM 1367 C TYR A 94 -4.706 -4.967 10.597 1.00 0.00 C ATOM 1368 O TYR A 94 -3.720 -5.584 10.948 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.868 -2.889 9.233 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.288 -2.460 8.960 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.861 -1.421 9.704 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.034 -3.102 7.964 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.179 -1.025 9.453 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.354 -2.706 7.713 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.926 -1.666 8.457 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.226 -1.275 8.211 1.00 0.00 O ATOM 0 H TYR A 94 -2.661 -3.132 10.837 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.634 -3.139 11.239 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.192 -2.043 9.109 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.562 -3.649 8.514 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.285 -0.925 10.472 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.592 -3.902 7.389 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.621 -0.224 10.028 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.930 -3.202 6.946 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.459 -1.481 7.282 1.00 0.00 H new ATOM 1386 N THR A 95 -5.767 -5.569 10.139 1.00 0.00 N ATOM 1387 CA THR A 95 -5.817 -7.051 10.024 1.00 0.00 C ATOM 1388 C THR A 95 -6.681 -7.399 8.813 1.00 0.00 C ATOM 1389 O THR A 95 -7.878 -7.191 8.816 1.00 0.00 O ATOM 1390 CB THR A 95 -6.435 -7.649 11.294 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.568 -7.413 12.395 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.631 -9.157 11.112 1.00 0.00 C ATOM 0 H THR A 95 -6.614 -5.089 9.835 1.00 0.00 H new ATOM 0 HA THR A 95 -4.813 -7.458 9.903 1.00 0.00 H new ATOM 0 HB THR A 95 -7.401 -7.181 11.482 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.961 -7.793 13.208 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.070 -9.579 12.016 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.296 -9.338 10.267 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.667 -9.629 10.923 1.00 0.00 H new ATOM 1400 N PHE A 96 -6.087 -7.907 7.772 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.889 -8.238 6.559 1.00 0.00 C ATOM 1402 C PHE A 96 -7.604 -9.577 6.747 1.00 0.00 C ATOM 1403 O PHE A 96 -6.987 -10.608 6.930 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.977 -8.309 5.328 1.00 0.00 C ATOM 1405 CG PHE A 96 -5.245 -6.995 5.131 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.854 -5.779 5.480 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.954 -6.997 4.589 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.170 -4.573 5.286 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.271 -5.790 4.396 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.879 -4.578 4.745 1.00 0.00 C ATOM 0 H PHE A 96 -5.089 -8.107 7.706 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.633 -7.455 6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.257 -9.118 5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.569 -8.538 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.850 -5.774 5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.484 -7.931 4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.639 -3.638 5.554 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.275 -5.794 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.352 -3.647 4.597 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.907 -9.562 6.687 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.688 -10.818 6.841 1.00 0.00 C ATOM 1422 C ASP A 97 -10.705 -10.896 5.701 1.00 0.00 C ATOM 1423 O ASP A 97 -11.852 -11.246 5.894 1.00 0.00 O ATOM 1424 CB ASP A 97 -10.416 -10.812 8.188 1.00 0.00 C ATOM 1425 CG ASP A 97 -11.143 -9.478 8.373 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -12.226 -9.336 7.830 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.603 -8.622 9.054 1.00 0.00 O ATOM 0 H ASP A 97 -9.468 -8.724 6.536 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.023 -11.681 6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -11.129 -11.635 8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.703 -10.965 8.999 1.00 0.00 H new ATOM 1432 N TYR A 98 -10.278 -10.555 4.517 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.194 -10.584 3.336 1.00 0.00 C ATOM 1434 C TYR A 98 -11.372 -12.024 2.832 1.00 0.00 C ATOM 1435 O TYR A 98 -10.753 -12.437 1.879 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.608 -9.708 2.212 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.199 -10.147 1.804 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.566 -11.259 2.393 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.526 -9.421 0.811 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.283 -11.633 1.989 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.238 -9.799 0.410 1.00 0.00 C ATOM 1442 CZ TYR A 98 -6.618 -10.905 1.000 1.00 0.00 C ATOM 1443 OH TYR A 98 -5.349 -11.279 0.608 1.00 0.00 O ATOM 0 H TYR A 98 -9.325 -10.254 4.313 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.168 -10.196 3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.265 -9.750 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.581 -8.669 2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -9.075 -11.824 3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.003 -8.567 0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.803 -12.488 2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.724 -9.236 -0.355 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.830 -11.549 1.394 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.205 -12.783 3.484 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.441 -14.207 3.084 1.00 0.00 C ATOM 1455 C GLN A 99 -11.103 -14.941 2.981 1.00 0.00 C ATOM 1456 O GLN A 99 -10.890 -15.760 2.109 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.216 -14.284 1.751 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.342 -13.872 0.556 1.00 0.00 C ATOM 1459 CD GLN A 99 -12.882 -14.522 -0.718 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -13.588 -13.893 -1.482 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -12.578 -15.763 -0.983 1.00 0.00 N ATOM 0 H GLN A 99 -12.745 -12.476 4.293 1.00 0.00 H new ATOM 0 HA GLN A 99 -13.051 -14.691 3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.580 -15.300 1.601 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -14.091 -13.636 1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.339 -12.787 0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.310 -14.178 0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.986 -16.291 -0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.933 -16.205 -1.831 1.00 0.00 H new ATOM 1470 N MET A 100 -10.202 -14.656 3.880 1.00 0.00 N ATOM 1471 CA MET A 100 -8.878 -15.333 3.851 1.00 0.00 C ATOM 1472 C MET A 100 -8.279 -15.336 5.258 1.00 0.00 C ATOM 1473 O MET A 100 -8.938 -15.014 6.227 1.00 0.00 O ATOM 1474 CB MET A 100 -7.946 -14.571 2.911 1.00 0.00 C ATOM 1475 CG MET A 100 -7.318 -15.542 1.911 1.00 0.00 C ATOM 1476 SD MET A 100 -7.204 -14.746 0.289 1.00 0.00 S ATOM 1477 CE MET A 100 -5.505 -14.144 0.449 1.00 0.00 C ATOM 0 H MET A 100 -10.327 -13.982 4.635 1.00 0.00 H new ATOM 0 HA MET A 100 -8.998 -16.359 3.502 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.501 -13.797 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.166 -14.069 3.484 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.327 -15.841 2.252 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.919 -16.449 1.842 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.275 -13.479 -0.383 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.398 -13.601 1.388 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.817 -14.989 0.439 1.00 0.00 H new ATOM 1487 N THR A 101 -7.029 -15.690 5.373 1.00 0.00 N ATOM 1488 CA THR A 101 -6.376 -15.705 6.711 1.00 0.00 C ATOM 1489 C THR A 101 -6.261 -14.263 7.225 1.00 0.00 C ATOM 1490 O THR A 101 -6.154 -13.345 6.435 1.00 0.00 O ATOM 1491 CB THR A 101 -4.977 -16.320 6.578 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.239 -16.094 7.770 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.244 -15.682 5.398 1.00 0.00 C ATOM 0 H THR A 101 -6.431 -15.970 4.596 1.00 0.00 H new ATOM 0 HA THR A 101 -6.966 -16.296 7.411 1.00 0.00 H new ATOM 0 HB THR A 101 -5.073 -17.393 6.409 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.347 -16.490 7.682 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.251 -16.121 5.306 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.806 -15.861 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.152 -14.609 5.564 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.286 -14.092 8.530 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.184 -12.756 9.141 1.00 0.00 C ATOM 1503 C PRO A 102 -4.744 -12.247 9.054 1.00 0.00 C ATOM 1504 O PRO A 102 -3.974 -12.361 9.986 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.613 -12.982 10.594 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.401 -14.485 10.881 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.409 -15.197 9.514 1.00 0.00 C ATOM 0 HA PRO A 102 -6.799 -12.005 8.645 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.021 -12.369 11.274 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.656 -12.702 10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.457 -14.651 11.400 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.191 -14.872 11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.582 -15.902 9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.328 -15.763 9.365 1.00 0.00 H new ATOM 1515 N THR A 103 -4.378 -11.691 7.931 1.00 0.00 N ATOM 1516 CA THR A 103 -2.990 -11.179 7.765 1.00 0.00 C ATOM 1517 C THR A 103 -2.792 -9.938 8.640 1.00 0.00 C ATOM 1518 O THR A 103 -3.146 -8.840 8.258 1.00 0.00 O ATOM 1519 CB THR A 103 -2.756 -10.815 6.288 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.636 -12.009 5.527 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.474 -9.983 6.135 1.00 0.00 C ATOM 0 H THR A 103 -4.984 -11.569 7.119 1.00 0.00 H new ATOM 0 HA THR A 103 -2.278 -11.947 8.067 1.00 0.00 H new ATOM 0 HB THR A 103 -3.601 -10.226 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.489 -11.783 4.585 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.325 -9.735 5.084 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.565 -9.065 6.715 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.622 -10.558 6.497 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.199 -10.094 9.788 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.954 -8.907 10.645 1.00 0.00 C ATOM 1531 C LYS A 104 -0.825 -8.109 10.010 1.00 0.00 C ATOM 1532 O LYS A 104 0.171 -8.666 9.609 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.522 -9.343 12.046 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.903 -8.259 13.057 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.973 -8.795 14.011 1.00 0.00 C ATOM 1536 CE LYS A 104 -2.436 -8.771 15.444 1.00 0.00 C ATOM 1537 NZ LYS A 104 -2.447 -7.370 15.954 1.00 0.00 N ATOM 0 H LYS A 104 -1.876 -10.984 10.167 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.864 -8.314 10.728 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.002 -10.286 12.309 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.446 -9.515 12.069 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.023 -7.948 13.620 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.276 -7.377 12.536 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.876 -8.189 13.939 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.249 -9.812 13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.047 -9.407 16.084 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.423 -9.172 15.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.082 -7.352 16.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.846 -6.775 15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.420 -7.004 15.942 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.967 -6.823 9.901 1.00 0.00 N ATOM 1552 CA VAL A 105 0.114 -6.015 9.272 1.00 0.00 C ATOM 1553 C VAL A 105 0.140 -4.605 9.867 1.00 0.00 C ATOM 1554 O VAL A 105 -0.890 -4.024 10.135 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.169 -5.879 7.772 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.348 -7.265 7.148 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.450 -5.055 7.547 1.00 0.00 C ATOM 0 H VAL A 105 -1.780 -6.295 10.218 1.00 0.00 H new ATOM 0 HA VAL A 105 1.067 -6.513 9.451 1.00 0.00 H new ATOM 0 HB VAL A 105 0.674 -5.372 7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.549 -7.161 6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.562 -7.848 7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.184 -7.774 7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.641 -4.965 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.293 -5.554 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.324 -4.062 7.978 1.00 0.00 H new ATOM 1567 N LYS A 106 1.294 -4.015 9.983 1.00 0.00 N ATOM 1568 CA LYS A 106 1.342 -2.603 10.455 1.00 0.00 C ATOM 1569 C LYS A 106 1.373 -1.779 9.173 1.00 0.00 C ATOM 1570 O LYS A 106 2.250 -1.934 8.359 1.00 0.00 O ATOM 1571 CB LYS A 106 2.585 -2.335 11.320 1.00 0.00 C ATOM 1572 CG LYS A 106 3.842 -2.826 10.609 1.00 0.00 C ATOM 1573 CD LYS A 106 4.367 -4.085 11.306 1.00 0.00 C ATOM 1574 CE LYS A 106 5.078 -3.691 12.603 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.100 -4.722 12.940 1.00 0.00 N ATOM 0 H LYS A 106 2.197 -4.441 9.775 1.00 0.00 H new ATOM 0 HA LYS A 106 0.492 -2.354 11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.669 -1.268 11.526 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.483 -2.839 12.281 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.620 -3.042 9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.605 -2.048 10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.543 -4.764 11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.055 -4.617 10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.553 -2.716 12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.355 -3.601 13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 5.698 -5.401 13.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.386 -5.223 12.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.931 -4.262 13.364 1.00 0.00 H new ATOM 1589 N VAL A 107 0.381 -0.980 8.934 1.00 0.00 N ATOM 1590 CA VAL A 107 0.333 -0.242 7.636 1.00 0.00 C ATOM 1591 C VAL A 107 1.076 1.090 7.720 1.00 0.00 C ATOM 1592 O VAL A 107 1.304 1.639 8.780 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.164 0.003 7.214 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -2.073 -1.023 7.879 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.665 1.422 7.582 1.00 0.00 C ATOM 0 H VAL A 107 -0.396 -0.802 9.570 1.00 0.00 H new ATOM 0 HA VAL A 107 0.829 -0.855 6.883 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.199 -0.097 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.105 -0.843 7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.776 -2.026 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.989 -0.935 8.962 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.703 1.534 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.595 1.564 8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.050 2.167 7.077 1.00 0.00 H new ATOM 1605 N HIS A 108 1.352 1.635 6.574 1.00 0.00 N ATOM 1606 CA HIS A 108 1.978 2.973 6.480 1.00 0.00 C ATOM 1607 C HIS A 108 1.413 3.583 5.205 1.00 0.00 C ATOM 1608 O HIS A 108 1.110 2.872 4.278 1.00 0.00 O ATOM 1609 CB HIS A 108 3.501 2.860 6.387 1.00 0.00 C ATOM 1610 CG HIS A 108 4.106 4.241 6.393 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.359 4.494 5.860 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.648 5.452 6.864 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.612 5.806 6.020 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.603 6.435 6.626 1.00 0.00 N ATOM 0 H HIS A 108 1.163 1.194 5.674 1.00 0.00 H new ATOM 0 HA HIS A 108 1.766 3.581 7.360 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.886 2.279 7.225 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.783 2.331 5.476 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.694 5.613 7.344 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.521 6.291 5.697 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.545 7.425 6.864 1.00 0.00 H new ATOM 1622 N MET A 109 1.218 4.863 5.146 1.00 0.00 N ATOM 1623 CA MET A 109 0.631 5.448 3.908 1.00 0.00 C ATOM 1624 C MET A 109 1.104 6.888 3.757 1.00 0.00 C ATOM 1625 O MET A 109 1.140 7.631 4.717 1.00 0.00 O ATOM 1626 CB MET A 109 -0.914 5.448 3.972 1.00 0.00 C ATOM 1627 CG MET A 109 -1.469 4.440 5.004 1.00 0.00 C ATOM 1628 SD MET A 109 -3.056 5.064 5.610 1.00 0.00 S ATOM 1629 CE MET A 109 -4.117 3.897 4.725 1.00 0.00 C ATOM 0 H MET A 109 1.435 5.527 5.889 1.00 0.00 H new ATOM 0 HA MET A 109 0.954 4.843 3.061 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.263 6.449 4.225 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.314 5.210 2.986 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.596 3.459 4.546 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.769 4.318 5.830 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.076 3.817 5.237 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.278 4.251 3.707 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.638 2.918 4.697 1.00 0.00 H new ATOM 1639 N LYS A 110 1.461 7.312 2.569 1.00 0.00 N ATOM 1640 CA LYS A 110 1.909 8.727 2.426 1.00 0.00 C ATOM 1641 C LYS A 110 1.577 9.240 1.020 1.00 0.00 C ATOM 1642 O LYS A 110 1.393 8.473 0.099 1.00 0.00 O ATOM 1643 CB LYS A 110 3.416 8.818 2.664 1.00 0.00 C ATOM 1644 CG LYS A 110 3.758 10.180 3.263 1.00 0.00 C ATOM 1645 CD LYS A 110 5.261 10.435 3.131 1.00 0.00 C ATOM 1646 CE LYS A 110 5.593 11.830 3.664 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.844 12.323 3.021 1.00 0.00 N ATOM 0 H LYS A 110 1.462 6.755 1.715 1.00 0.00 H new ATOM 0 HA LYS A 110 1.390 9.341 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.737 8.023 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.952 8.677 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.199 10.964 2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.464 10.211 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.818 9.680 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.564 10.352 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.771 12.515 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.716 11.798 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.070 13.271 3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.626 11.673 3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.710 12.369 1.991 1.00 0.00 H new ATOM 1661 N LYS A 111 1.504 10.532 0.848 1.00 0.00 N ATOM 1662 CA LYS A 111 1.186 11.094 -0.494 1.00 0.00 C ATOM 1663 C LYS A 111 2.398 10.912 -1.412 1.00 0.00 C ATOM 1664 O LYS A 111 3.427 11.532 -1.236 1.00 0.00 O ATOM 1665 CB LYS A 111 0.849 12.580 -0.344 1.00 0.00 C ATOM 1666 CG LYS A 111 0.603 13.195 -1.721 1.00 0.00 C ATOM 1667 CD LYS A 111 -0.348 14.388 -1.587 1.00 0.00 C ATOM 1668 CE LYS A 111 -1.795 13.904 -1.701 1.00 0.00 C ATOM 1669 NZ LYS A 111 -2.693 14.836 -0.962 1.00 0.00 N ATOM 0 H LYS A 111 1.652 11.224 1.582 1.00 0.00 H new ATOM 0 HA LYS A 111 0.331 10.577 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.035 12.701 0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.667 13.099 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.547 13.517 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.176 12.450 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -0.194 14.883 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -0.137 15.123 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.090 13.852 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.885 12.897 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -3.630 14.847 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.787 14.518 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.289 15.794 -0.980 1.00 0.00 H new ATOM 1683 N ALA A 112 2.284 10.043 -2.378 1.00 0.00 N ATOM 1684 CA ALA A 112 3.425 9.783 -3.302 1.00 0.00 C ATOM 1685 C ALA A 112 3.640 10.958 -4.249 1.00 0.00 C ATOM 1686 O ALA A 112 2.891 11.905 -4.258 1.00 0.00 O ATOM 1687 CB ALA A 112 3.116 8.552 -4.128 1.00 0.00 C ATOM 0 H ALA A 112 1.443 9.498 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 112 4.327 9.639 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.944 8.353 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.975 7.697 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.206 8.720 -4.704 1.00 0.00 H new ATOM 1693 N LEU A 113 4.662 10.886 -5.062 1.00 0.00 N ATOM 1694 CA LEU A 113 4.933 11.990 -6.021 1.00 0.00 C ATOM 1695 C LEU A 113 5.247 13.264 -5.241 1.00 0.00 C ATOM 1696 O LEU A 113 5.125 14.361 -5.749 1.00 0.00 O ATOM 1697 CB LEU A 113 3.703 12.217 -6.902 1.00 0.00 C ATOM 1698 CG LEU A 113 4.110 12.147 -8.375 1.00 0.00 C ATOM 1699 CD1 LEU A 113 2.924 11.665 -9.213 1.00 0.00 C ATOM 1700 CD2 LEU A 113 4.538 13.537 -8.850 1.00 0.00 C ATOM 0 H LEU A 113 5.320 10.107 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 113 5.782 11.728 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.945 11.464 -6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.259 13.188 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 113 4.940 11.450 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 113 3.216 11.616 -10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.618 10.675 -8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.092 12.360 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.828 13.489 -9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.707 14.233 -8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.384 13.880 -8.255 1.00 0.00 H new ATOM 1712 N SER A 114 5.644 13.129 -4.004 1.00 0.00 N ATOM 1713 CA SER A 114 5.957 14.333 -3.188 1.00 0.00 C ATOM 1714 C SER A 114 4.744 15.262 -3.183 1.00 0.00 C ATOM 1715 O SER A 114 4.864 16.456 -2.997 1.00 0.00 O ATOM 1716 CB SER A 114 7.156 15.066 -3.794 1.00 0.00 C ATOM 1717 OG SER A 114 8.339 14.320 -3.541 1.00 0.00 O ATOM 0 H SER A 114 5.764 12.236 -3.525 1.00 0.00 H new ATOM 0 HA SER A 114 6.196 14.032 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.015 15.193 -4.867 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.242 16.064 -3.364 1.00 0.00 H new ATOM 0 HG SER A 114 9.109 14.786 -3.929 1.00 0.00 H new ATOM 1723 N GLY A 115 3.570 14.723 -3.387 1.00 0.00 N ATOM 1724 CA GLY A 115 2.356 15.588 -3.393 1.00 0.00 C ATOM 1725 C GLY A 115 1.558 15.369 -4.685 1.00 0.00 C ATOM 1726 O GLY A 115 1.565 16.201 -5.570 1.00 0.00 O ATOM 0 H GLY A 115 3.401 13.730 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 115 1.733 15.359 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 115 2.646 16.635 -3.309 1.00 0.00 H new ATOM 1730 N ASP A 116 0.865 14.264 -4.806 1.00 0.00 N ATOM 1731 CA ASP A 116 0.073 14.024 -6.048 1.00 0.00 C ATOM 1732 C ASP A 116 -0.625 12.658 -5.986 1.00 0.00 C ATOM 1733 O ASP A 116 -1.770 12.523 -6.371 1.00 0.00 O ATOM 1734 CB ASP A 116 1.006 14.056 -7.258 1.00 0.00 C ATOM 1735 CG ASP A 116 0.337 14.826 -8.399 1.00 0.00 C ATOM 1736 OD1 ASP A 116 -0.245 15.862 -8.127 1.00 0.00 O ATOM 1737 OD2 ASP A 116 0.421 14.366 -9.527 1.00 0.00 O ATOM 0 H ASP A 116 0.814 13.525 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.683 14.804 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.950 14.530 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.239 13.040 -7.578 1.00 0.00 H new ATOM 1742 N SER A 117 0.054 11.642 -5.525 1.00 0.00 N ATOM 1743 CA SER A 117 -0.576 10.291 -5.466 1.00 0.00 C ATOM 1744 C SER A 117 -0.753 9.842 -4.012 1.00 0.00 C ATOM 1745 O SER A 117 -0.394 10.535 -3.086 1.00 0.00 O ATOM 1746 CB SER A 117 0.313 9.286 -6.200 1.00 0.00 C ATOM 1747 OG SER A 117 0.273 9.555 -7.595 1.00 0.00 O ATOM 0 H SER A 117 1.015 11.689 -5.187 1.00 0.00 H new ATOM 0 HA SER A 117 -1.556 10.340 -5.940 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.337 9.354 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.029 8.270 -6.004 1.00 0.00 H new ATOM 0 HG SER A 117 0.843 8.914 -8.068 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.305 8.676 -3.814 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.515 8.157 -2.427 1.00 0.00 C ATOM 1755 C TYR A 118 -1.017 6.716 -2.370 1.00 0.00 C ATOM 1756 O TYR A 118 -1.334 5.915 -3.228 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.011 8.175 -2.095 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.616 9.462 -2.553 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.459 10.629 -1.800 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.340 9.478 -3.740 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.034 11.820 -2.250 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.913 10.659 -4.189 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.762 11.838 -3.447 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.330 13.014 -3.895 1.00 0.00 O ATOM 0 H TYR A 118 -1.623 8.054 -4.558 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.975 8.778 -1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.510 7.335 -2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.156 8.056 -1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.898 10.610 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.456 8.570 -4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.917 12.727 -1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.476 10.670 -5.111 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.798 12.850 -4.740 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.238 6.369 -1.383 1.00 0.00 N ATOM 1775 CA TRP A 119 0.260 4.971 -1.320 1.00 0.00 C ATOM 1776 C TRP A 119 0.174 4.408 0.091 1.00 0.00 C ATOM 1777 O TRP A 119 0.158 5.128 1.065 1.00 0.00 O ATOM 1778 CB TRP A 119 1.685 4.909 -1.860 1.00 0.00 C ATOM 1779 CG TRP A 119 2.622 5.709 -1.027 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.188 6.861 -1.403 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.131 5.416 0.283 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.040 7.292 -0.417 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.039 6.427 0.659 1.00 0.00 C ATOM 1784 CE3 TRP A 119 2.894 4.372 1.162 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.698 6.386 1.884 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.547 4.317 2.399 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.449 5.325 2.759 1.00 0.00 C ATOM 0 H TRP A 119 0.070 6.983 -0.629 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.379 4.347 -1.945 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.019 3.872 -1.889 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.703 5.279 -2.885 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.004 7.372 -2.336 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.601 8.142 -0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.198 3.592 0.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.394 7.166 2.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.355 3.497 3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.953 5.283 3.713 1.00 0.00 H new ATOM 1798 N VAL A 120 0.096 3.101 0.195 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.006 2.451 1.533 1.00 0.00 C ATOM 1800 C VAL A 120 0.846 1.167 1.563 1.00 0.00 C ATOM 1801 O VAL A 120 0.515 0.179 0.937 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.474 2.082 1.823 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.561 1.395 3.186 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.340 3.345 1.846 1.00 0.00 C ATOM 0 H VAL A 120 0.099 2.457 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 120 0.357 3.148 2.288 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.833 1.413 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.598 1.132 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.952 0.491 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.195 2.071 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.375 3.073 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.981 4.019 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.281 3.844 0.879 1.00 0.00 H new ATOM 1814 N PHE A 121 1.937 1.170 2.295 1.00 0.00 N ATOM 1815 CA PHE A 121 2.791 -0.053 2.380 1.00 0.00 C ATOM 1816 C PHE A 121 2.342 -0.899 3.561 1.00 0.00 C ATOM 1817 O PHE A 121 2.096 -0.398 4.639 1.00 0.00 O ATOM 1818 CB PHE A 121 4.261 0.346 2.569 1.00 0.00 C ATOM 1819 CG PHE A 121 4.612 1.448 1.595 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.920 1.558 0.380 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.625 2.357 1.904 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.237 2.573 -0.523 1.00 0.00 C ATOM 1823 CE2 PHE A 121 5.938 3.380 1.003 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.243 3.486 -0.209 1.00 0.00 C ATOM 0 H PHE A 121 2.270 1.968 2.836 1.00 0.00 H new ATOM 0 HA PHE A 121 2.692 -0.625 1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.429 0.683 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.907 -0.517 2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.137 0.853 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.165 2.271 2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.706 2.651 -1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.717 4.089 1.242 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.487 4.277 -0.902 1.00 0.00 H new ATOM 1834 N VAL A 122 2.224 -2.179 3.370 1.00 0.00 N ATOM 1835 CA VAL A 122 1.781 -3.048 4.481 1.00 0.00 C ATOM 1836 C VAL A 122 2.944 -3.927 4.944 1.00 0.00 C ATOM 1837 O VAL A 122 3.455 -4.743 4.209 1.00 0.00 O ATOM 1838 CB VAL A 122 0.582 -3.894 3.988 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.595 -5.322 4.560 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.706 -3.205 4.423 1.00 0.00 C ATOM 0 H VAL A 122 2.416 -2.659 2.491 1.00 0.00 H new ATOM 0 HA VAL A 122 1.463 -2.453 5.337 1.00 0.00 H new ATOM 0 HB VAL A 122 0.651 -3.972 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.267 -5.873 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.511 -5.828 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.550 -5.278 5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.563 -3.788 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.728 -3.127 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.750 -2.207 3.987 1.00 0.00 H new ATOM 1850 N LYS A 123 3.322 -3.784 6.176 1.00 0.00 N ATOM 1851 CA LYS A 123 4.419 -4.633 6.734 1.00 0.00 C ATOM 1852 C LYS A 123 3.778 -5.895 7.298 1.00 0.00 C ATOM 1853 O LYS A 123 3.099 -5.847 8.305 1.00 0.00 O ATOM 1854 CB LYS A 123 5.124 -3.884 7.870 1.00 0.00 C ATOM 1855 CG LYS A 123 6.635 -4.146 7.860 1.00 0.00 C ATOM 1856 CD LYS A 123 7.225 -3.862 6.481 1.00 0.00 C ATOM 1857 CE LYS A 123 8.669 -3.367 6.627 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.617 -4.495 6.386 1.00 0.00 N ATOM 0 H LYS A 123 2.920 -3.113 6.831 1.00 0.00 H new ATOM 0 HA LYS A 123 5.148 -4.873 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.938 -2.814 7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.706 -4.195 8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.123 -3.518 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.831 -5.182 8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.200 -4.765 5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.624 -3.113 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.860 -2.561 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.823 -2.957 7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.438 -4.400 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.137 -5.398 6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.937 -4.474 5.397 1.00 0.00 H new ATOM 1872 N ARG A 124 3.958 -7.022 6.663 1.00 0.00 N ATOM 1873 CA ARG A 124 3.312 -8.251 7.201 1.00 0.00 C ATOM 1874 C ARG A 124 3.956 -8.622 8.537 1.00 0.00 C ATOM 1875 O ARG A 124 5.132 -8.918 8.620 1.00 0.00 O ATOM 1876 CB ARG A 124 3.443 -9.404 6.198 1.00 0.00 C ATOM 1877 CG ARG A 124 2.367 -10.453 6.488 1.00 0.00 C ATOM 1878 CD ARG A 124 2.361 -11.502 5.377 1.00 0.00 C ATOM 1879 NE ARG A 124 2.930 -12.778 5.897 1.00 0.00 N ATOM 1880 CZ ARG A 124 4.194 -12.848 6.208 1.00 0.00 C ATOM 1881 NH1 ARG A 124 5.101 -12.758 5.275 1.00 0.00 N ATOM 1882 NH2 ARG A 124 4.551 -13.006 7.453 1.00 0.00 N ATOM 0 H ARG A 124 4.511 -7.144 5.815 1.00 0.00 H new ATOM 0 HA ARG A 124 2.251 -8.060 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.336 -9.029 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.434 -9.853 6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 124 2.558 -10.929 7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 124 1.389 -9.976 6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.344 -11.664 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.945 -11.150 4.527 1.00 0.00 H new ATOM 0 HE ARG A 124 2.331 -13.596 6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.821 -12.633 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 124 6.090 -12.813 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.841 -13.075 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 124 5.540 -13.061 7.697 1.00 0.00 H new ATOM 1896 N VAL A 125 3.180 -8.594 9.586 1.00 0.00 N ATOM 1897 CA VAL A 125 3.714 -8.928 10.940 1.00 0.00 C ATOM 1898 C VAL A 125 3.587 -10.436 11.171 1.00 0.00 C ATOM 1899 O VAL A 125 2.466 -10.913 11.228 1.00 0.00 O ATOM 1900 CB VAL A 125 2.930 -8.183 12.045 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.912 -7.604 13.048 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.113 -7.021 11.477 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.613 -11.086 11.286 1.00 0.00 O ATOM 0 H VAL A 125 2.189 -8.352 9.564 1.00 0.00 H new ATOM 0 HA VAL A 125 4.759 -8.620 10.985 1.00 0.00 H new ATOM 0 HB VAL A 125 2.254 -8.902 12.509 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.365 -7.077 13.830 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.495 -8.410 13.493 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.581 -6.908 12.542 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.577 -6.524 12.285 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.781 -6.309 10.993 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.398 -7.401 10.748 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -8.557 -5.908 3.656 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.162 -6.956 3.542 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.280 -5.573 2.936 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -6.768 -6.455 2.126 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -5.471 -6.184 1.423 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -4.932 -7.172 0.587 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -3.706 -6.940 -0.058 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -3.030 -5.714 0.139 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -3.574 -4.727 0.973 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -4.798 -4.962 1.617 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -1.960 -5.511 -0.405 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.228 -4.200 2.267 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -3.049 -3.783 1.120 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -3.277 -7.703 -0.708 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -7.287 -7.399 1.957 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -5.461 -8.114 0.439 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -6.792 -4.610 3.089 1.00 0.00 H new